*HEADER    HYDROLASE                               21-APR-05   1ZGG              
*TITLE     SOLUTION STRUCTURE OF A LOW MOLECULAR WEIGHT PROTEIN                  
*TITLE    2 TYROSINE PHOSPHATASE FROM BACILLUS SUBTILIS                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PUTATIVE LOW MOLECULAR WEIGHT PROTEIN-TYROSINE-            
*COMPND   3 PHOSPHATASE YWLE;                                                    
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 SYNONYM: LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE;          
*COMPND   6 EC: 3.1.3.48;                                                        
*COMPND   7 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;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET21                                     
*KEYWDS    ALPHA/BETA, FOUR-STRANDED PARALLEL BETA SHEET, STRUCTURAL             
*KEYWDS   2 GENOMICS                                                             
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    H.XU, B.XIA, C.JIN                                                    
*REVDAT   1   28-MAR-06 1ZGG    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:  N C HA CB
 &rst iat=20,30,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG2 CG1 HB
 &rst iat=34,38,42,37, &end
#
#  chirality for residue 3 atoms:  CB CD1 HG12 HG13
 &rst iat=36,45,43,44, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=32,49,35,36, &end
#
#  chirality for residue 4 atoms:  CA CG2 CG1 HB
 &rst iat=53,57,61,56, &end
#
#  chirality for residue 4 atoms:  CB CD1 HG12 HG13
 &rst iat=55,64,62,63, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=51,68,54,55, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=72,77,75,76, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=70,88,73,74, &end
#
#  chirality for residue 6 atoms:  CA CG1 CG2 HB
 &rst iat=92,96,100,95, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=90,104,93,94, &end
#
#  chirality for residue 7 atoms:  CA SG HB2 HB3
 &rst iat=108,113,111,112, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=106,115,109,110, &end
#
#  chirality for residue 8 atoms:  CA CG2 OG1 HB
 &rst iat=119,123,127,122, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=117,129,120,121, &end
#
#  chirality for residue 9 atoms:  N C HA2 HA3
 &rst iat=131,136,134,135, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=140,145,143,144, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=138,150,141,142, &end
#
#  chirality for residue 11 atoms:  CA CG2 OG1 HB
 &rst iat=154,158,162,157, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=152,164,155,156, &end
#
#  chirality for residue 12 atoms:  CA SG HB2 HB3
 &rst iat=168,173,171,172, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=166,175,169,170, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=179,184,182,183, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=181,187,185,186, &end
#
#  chirality for residue 13 atoms:  CG NE HD2 HD3
 &rst iat=184,190,188,189, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=177,199,180,181, &end
#
#  chirality for residue 14 atoms:  CA OG HB2 HB3
 &rst iat=203,208,206,207, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=201,210,204,205, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=222,216,220,221, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=219,213,217,218, &end
#
#  chirality for residue 15 atoms:  CG N HD2 HD3
 &rst iat=216,212,214,215, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=212,224,223,219, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=228,233,231,232, &end
#
#  chirality for residue 16 atoms:  CB SD HG2 HG3
 &rst iat=230,236,234,235, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=226,241,229,230, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=243,251,246,247, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=255,260,258,259, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=257,263,261,262, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=253,266,256,257, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=268,276,271,272, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=280,285,283,284, &end
#
#  chirality for residue 20 atoms:  CB CD1 CD2 HG
 &rst iat=282,287,291,286, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=278,295,281,282, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=299,304,302,303, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=297,315,300,301, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=319,324,322,323, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=321,327,325,326, &end
#
#  chirality for residue 22 atoms:  CD NZ HE2 HE3
 &rst iat=327,333,331,332, &end
#
#  chirality for residue 22 atoms:  CG CE HD2 HD3
 &rst iat=324,330,328,329, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=317,337,320,321, &end
#
#  chirality for residue 23 atoms:  CA OG HB2 HB3
 &rst iat=341,346,344,345, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=339,348,342,343, &end
#
#  chirality for residue 24 atoms:  CA CG2 CG1 HB
 &rst iat=352,356,360,355, &end
#
#  chirality for residue 24 atoms:  CB CD1 HG12 HG13
 &rst iat=354,363,361,362, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=350,367,353,354, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=369,377,372,373, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=381,386,384,385, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=383,389,387,388, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=379,392,382,383, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=396,401,399,400, &end
#
#  chirality for residue 27 atoms:  CB CD HG2 HG3
 &rst iat=398,404,402,403, &end
#
#  chirality for residue 27 atoms:  CG NE HD2 HD3
 &rst iat=401,407,405,406, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=394,416,397,398, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=420,425,423,424, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=422,428,426,427, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=418,431,421,422, &end
#
#  chirality for residue 29 atoms:  N C HA2 HA3
 &rst iat=433,438,436,437, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=442,447,445,446, &end
#
#  chirality for residue 30 atoms:  CB CD1 CD2 HG
 &rst iat=444,449,453,448, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=440,457,443,444, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=461,466,464,465, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=459,471,462,463, &end
#
#  chirality for residue 32 atoms:  CA CG1 CG2 HB
 &rst iat=475,479,483,478, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=473,487,476,477, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=491,496,494,495, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=489,501,492,493, &end
#
#  chirality for residue 34 atoms:  CA CG1 CG2 HB
 &rst iat=505,509,513,508, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=503,517,506,507, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=521,526,524,525, &end
#
#  chirality for residue 35 atoms:  CB CD HG2 HG3
 &rst iat=523,529,527,528, &end
#
#  chirality for residue 35 atoms:  CG NE HD2 HD3
 &rst iat=526,532,530,531, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=519,541,522,523, &end
#
#  chirality for residue 36 atoms:  CA OG HB2 HB3
 &rst iat=545,550,548,549, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=543,552,546,547, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=554,562,557,558, &end
#
#  chirality for residue 38 atoms:  N C HA2 HA3
 &rst iat=564,569,567,568, &end
#
#  chirality for residue 39 atoms:  CA CG1 CG2 HB
 &rst iat=573,577,581,576, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=571,585,574,575, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=589,594,592,593, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=587,605,590,591, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=607,615,610,611, &end
#
#  chirality for residue 42 atoms:  CA OG HB2 HB3
 &rst iat=619,624,622,623, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=617,626,620,621, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=638,632,636,637, &end
#
#  chirality for residue 43 atoms:  CB CD HG2 HG3
 &rst iat=635,629,633,634, &end
#
#  chirality for residue 43 atoms:  CG N HD2 HD3
 &rst iat=632,628,630,631, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=628,640,639,635, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=644,649,647,648, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=642,654,645,646, &end
#
#  chirality for residue 45 atoms:  N C HA2 HA3
 &rst iat=656,661,659,660, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=665,670,668,669, &end
#
#  chirality for residue 46 atoms:  CB CD HG2 HG3
 &rst iat=667,673,671,672, &end
#
#  chirality for residue 46 atoms:  CD NZ HE2 HE3
 &rst iat=673,679,677,678, &end
#
#  chirality for residue 46 atoms:  CG CE HD2 HD3
 &rst iat=670,676,674,675, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=663,683,666,667, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=685,693,688,689, &end
#
#  chirality for residue 48 atoms:  CA CG2 OG1 HB
 &rst iat=697,701,705,700, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=695,707,698,699, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=719,713,717,718, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=716,710,714,715, &end
#
#  chirality for residue 49 atoms:  CG N HD2 HD3
 &rst iat=713,709,711,712, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=709,721,720,716, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=725,730,728,729, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=723,738,726,727, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=740,748,743,744, &end
#
#  chirality for residue 52 atoms:  CA CG1 CG2 HB
 &rst iat=752,756,760,755, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=750,764,753,754, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=768,773,771,772, &end
#
#  chirality for residue 53 atoms:  CB CD HG2 HG3
 &rst iat=770,776,774,775, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=766,779,769,770, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=781,789,784,785, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=793,798,796,797, &end
#
#  chirality for residue 55 atoms:  CB CD1 CD2 HG
 &rst iat=795,800,804,799, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=791,808,794,795, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=812,817,815,816, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=810,828,813,814, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=832,837,835,836, &end
#
#  chirality for residue 57 atoms:  CB CD HG2 HG3
 &rst iat=834,840,838,839, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=830,843,833,834, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=847,852,850,851, &end
#
#  chirality for residue 58 atoms:  CB CD HG2 HG3
 &rst iat=849,855,853,854, &end
#
#  chirality for residue 58 atoms:  CD NZ HE2 HE3
 &rst iat=855,861,859,860, &end
#
#  chirality for residue 58 atoms:  CG CE HD2 HD3
 &rst iat=852,858,856,857, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=845,865,848,849, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=869,874,872,873, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=867,882,870,871, &end
#
#  chirality for residue 60 atoms:  CA CG2 CG1 HB
 &rst iat=886,890,894,889, &end
#
#  chirality for residue 60 atoms:  CB CD1 HG12 HG13
 &rst iat=888,897,895,896, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=884,901,887,888, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=903,911,906,907, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=915,920,918,919, &end
#
#  chirality for residue 62 atoms:  CB CD1 CD2 HG
 &rst iat=917,922,926,921, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=913,930,916,917, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=934,939,937,938, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=932,944,935,936, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=948,953,951,952, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=946,961,949,950, &end
#
#  chirality for residue 65 atoms:  CA CG1 CG2 HB
 &rst iat=965,969,973,968, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=963,977,966,967, &end
#
#  chirality for residue 66 atoms:  CA OG HB2 HB3
 &rst iat=981,986,984,985, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=979,988,982,983, &end
#
#  chirality for residue 67 atoms:  CA OG HB2 HB3
 &rst iat=992,997,995,996, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=990,999,993,994, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1011,1005,1009,1010, &end
#
#  chirality for residue 68 atoms:  CB CD HG2 HG3
 &rst iat=1008,1002,1006,1007, &end
#
#  chirality for residue 68 atoms:  CG N HD2 HD3
 &rst iat=1005,1001,1003,1004, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1001,1013,1012,1008, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1017,1022,1020,1021, &end
#
#  chirality for residue 69 atoms:  CB CD1 CD2 HG
 &rst iat=1019,1024,1028,1023, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1015,1032,1018,1019, &end
#
#  chirality for residue 70 atoms:  CA CG2 OG1 HB
 &rst iat=1036,1040,1044,1039, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1034,1046,1037,1038, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1050,1055,1053,1054, &end
#
#  chirality for residue 71 atoms:  CB CD HG2 HG3
 &rst iat=1052,1058,1056,1057, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1048,1061,1051,1052, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1065,1070,1068,1069, &end
#
#  chirality for residue 72 atoms:  CB CD HG2 HG3
 &rst iat=1067,1073,1071,1072, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1063,1076,1066,1067, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1080,1085,1083,1084, &end
#
#  chirality for residue 73 atoms:  CB CD1 CD2 HG
 &rst iat=1082,1087,1091,1086, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1078,1095,1081,1082, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1099,1104,1102,1103, &end
#
#  chirality for residue 74 atoms:  CB SD HG2 HG3
 &rst iat=1101,1107,1105,1106, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1097,1112,1100,1101, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1116,1121,1119,1120, &end
#
#  chirality for residue 75 atoms:  CB CD HG2 HG3
 &rst iat=1118,1124,1122,1123, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1114,1127,1117,1118, &end
#
#  chirality for residue 76 atoms:  CA OG HB2 HB3
 &rst iat=1131,1136,1134,1135, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1129,1138,1132,1133, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1140,1148,1143,1144, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1152,1157,1155,1156, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1150,1160,1153,1154, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1164,1169,1167,1168, &end
#
#  chirality for residue 79 atoms:  CB CD1 CD2 HG
 &rst iat=1166,1171,1175,1170, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1162,1179,1165,1166, &end
#
#  chirality for residue 80 atoms:  CA CG1 CG2 HB
 &rst iat=1183,1187,1191,1186, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1181,1195,1184,1185, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1199,1204,1202,1203, &end
#
#  chirality for residue 81 atoms:  CB CD1 CD2 HG
 &rst iat=1201,1206,1210,1205, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1197,1214,1200,1201, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1216,1224,1219,1220, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1228,1233,1231,1232, &end
#
#  chirality for residue 83 atoms:  CB SD HG2 HG3
 &rst iat=1230,1236,1234,1235, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1226,1241,1229,1230, &end
#
#  chirality for residue 84 atoms:  CA CG2 OG1 HB
 &rst iat=1245,1249,1253,1248, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1243,1255,1246,1247, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1259,1264,1262,1263, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1257,1272,1260,1261, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1276,1281,1279,1280, &end
#
#  chirality for residue 86 atoms:  CB CD HG2 HG3
 &rst iat=1278,1284,1282,1283, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1274,1289,1277,1278, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1293,1298,1296,1297, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1291,1306,1294,1295, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1310,1315,1313,1314, &end
#
#  chirality for residue 88 atoms:  CB CD HG2 HG3
 &rst iat=1312,1318,1316,1317, &end
#
#  chirality for residue 88 atoms:  CD NZ HE2 HE3
 &rst iat=1318,1324,1322,1323, &end
#
#  chirality for residue 88 atoms:  CG CE HD2 HD3
 &rst iat=1315,1321,1319,1320, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1308,1328,1311,1312, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1332,1337,1335,1336, &end
#
#  chirality for residue 89 atoms:  CB CD HG2 HG3
 &rst iat=1334,1340,1338,1339, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1330,1345,1333,1334, &end
#
#  chirality for residue 90 atoms:  CA CG2 CG1 HB
 &rst iat=1349,1353,1357,1352, &end
#
#  chirality for residue 90 atoms:  CB CD1 HG12 HG13
 &rst iat=1351,1360,1358,1359, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1347,1364,1350,1351, &end
#
#  chirality for residue 91 atoms:  CA CG2 CG1 HB
 &rst iat=1368,1372,1376,1371, &end
#
#  chirality for residue 91 atoms:  CB CD1 HG12 HG13
 &rst iat=1370,1379,1377,1378, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1366,1383,1369,1370, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1385,1393,1388,1389, &end
#
#  chirality for residue 93 atoms:  CA OG HB2 HB3
 &rst iat=1397,1402,1400,1401, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1395,1404,1398,1399, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1408,1413,1411,1412, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1410,1416,1414,1415, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1406,1421,1409,1410, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1425,1430,1428,1429, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1423,1441,1426,1427, &end
#
#  chirality for residue 96 atoms:  N C HA2 HA3
 &rst iat=1443,1448,1446,1447, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1452,1457,1455,1456, &end
#
#  chirality for residue 97 atoms:  CB CD HG2 HG3
 &rst iat=1454,1460,1458,1459, &end
#
#  chirality for residue 97 atoms:  CG NE HD2 HD3

 &rst iat=1457,1463,1461,1462, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1450,1472,1453,1454, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1476,1481,1479,1480, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1474,1493,1477,1478, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1497,1502,1500,1501, &end
#
#  chirality for residue 99 atoms:  CB CD HG2 HG3
 &rst iat=1499,1505,1503,1504, &end
#
#  chirality for residue 99 atoms:  CG NE HD2 HD3
 &rst iat=1502,1508,1506,1507, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1495,1517,1498,1499, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1521,1526,1524,1525, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1519,1529,1522,1523, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1533,1538,1536,1537, &end
#
#  chirality for residue 101 atoms:  CB CD HG2 HG3
 &rst iat=1535,1541,1539,1540, &end
#
#  chirality for residue 101 atoms:  CD NZ HE2 HE3
 &rst iat=1541,1547,1545,1546, &end
#
#  chirality for residue 101 atoms:  CG CE HD2 HD3
 &rst iat=1538,1544,1542,1543, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1531,1551,1534,1535, &end
#
#  chirality for residue 102 atoms:  CA CG1 CG2 HB
 &rst iat=1555,1559,1563,1558, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1553,1567,1556,1557, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1571,1576,1574,1575, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1569,1587,1572,1573, &end
#
#  chirality for residue 104 atoms:  CA CG2 OG1 HB
 &rst iat=1591,1595,1599,1594, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1589,1601,1592,1593, &end
#
#  chirality for residue 105 atoms:  CA CG HB2 HB3
 &rst iat=1605,1610,1608,1609, &end
#
#  chirality for residue 105 atoms:  CB CD1 CD2 HG
 &rst iat=1607,1612,1616,1611, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1603,1620,1606,1607, &end
#
#  chirality for residue 106 atoms:  CA CG HB2 HB3
 &rst iat=1624,1629,1627,1628, &end
#
#  chirality for residue 106 atoms:  CB CD HG2 HG3
 &rst iat=1626,1632,1630,1631, &end
#
#  chirality for residue 106 atoms:  CD NZ HE2 HE3
 &rst iat=1632,1638,1636,1637, &end
#
#  chirality for residue 106 atoms:  CG CE HD2 HD3
 &rst iat=1629,1635,1633,1634, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1622,1642,1625,1626, &end
#
#  chirality for residue 107 atoms:  CA CG HB2 HB3
 &rst iat=1646,1651,1649,1650, &end
#
#  chirality for residue 107 atoms:  CB CD HG2 HG3
 &rst iat=1648,1654,1652,1653, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1644,1657,1647,1648, &end
#
#  chirality for residue 108 atoms:  CA CG HB2 HB3
 &rst iat=1661,1666,1664,1665, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1659,1678,1662,1663, &end
#
#  chirality for residue 109 atoms:  CA CG1 CG2 HB
 &rst iat=1682,1686,1690,1685, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1680,1694,1683,1684, &end
#
#  chirality for residue 110 atoms:  CA CG2 OG1 HB
 &rst iat=1698,1702,1706,1701, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1696,1708,1699,1700, &end
#
#  chirality for residue 111 atoms:  N C HA2 HA3
 &rst iat=1710,1715,1713,1714, &end
#
#  chirality for residue 112 atoms:  CA OG HB2 HB3
 &rst iat=1719,1724,1722,1723, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1717,1726,1720,1721, &end
#
#  chirality for residue 113 atoms:  CA CG HB2 HB3
 &rst iat=1730,1735,1733,1734, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1728,1743,1731,1732, &end
#
#  chirality for residue 114 atoms:  N C HA2 HA3
 &rst iat=1745,1750,1748,1749, &end
#
#  chirality for residue 115 atoms:  CA CG HB2 HB3
 &rst iat=1754,1759,1757,1758, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1752,1762,1755,1756, &end
#
#  chirality for residue 116 atoms:  CA CG1 CG2 HB
 &rst iat=1766,1770,1774,1769, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1764,1778,1767,1768, &end
#
#  chirality for residue 117 atoms:  CA CG HB2 HB3
 &rst iat=1782,1787,1785,1786, &end
#
#  chirality for residue 117 atoms:  CB CD1 CD2 HG
 &rst iat=1784,1789,1793,1788, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=1780,1797,1783,1784, &end
#
#  chirality for residue 118 atoms:  CA CG HB2 HB3
 &rst iat=1801,1806,1804,1805, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=1799,1809,1802,1803, &end
#
#  chirality for residue 119 atoms:  CA CG HB2 HB3
 &rst iat=1821,1815,1819,1820, &end
#
#  chirality for residue 119 atoms:  CB CD HG2 HG3
 &rst iat=1818,1812,1816,1817, &end
#
#  chirality for residue 119 atoms:  CG N HD2 HD3
 &rst iat=1815,1811,1813,1814, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1811,1823,1822,1818, &end
#
#  chirality for residue 120 atoms:  CA CG HB2 HB3
 &rst iat=1827,1832,1830,1831, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1825,1843,1828,1829, &end
#
#  chirality for residue 121 atoms:  N C HA2 HA3
 &rst iat=1845,1850,1848,1849, &end
#
#  chirality for residue 122 atoms:  N C HA2 HA3
 &rst iat=1852,1857,1855,1856, &end
#
#  chirality for residue 123 atoms:  CA OG HB2 HB3
 &rst iat=1861,1866,1864,1865, &end
#
#  chirality for residue 123 atoms:  N C HA CB
 &rst iat=1859,1868,1862,1863, &end
#
#  chirality for residue 124 atoms:  CA CG2 CG1 HB
 &rst iat=1872,1876,1880,1875, &end
#
#  chirality for residue 124 atoms:  CB CD1 HG12 HG13
 &rst iat=1874,1883,1881,1882, &end
#
#  chirality for residue 124 atoms:  N C HA CB
 &rst iat=1870,1887,1873,1874, &end
#
#  chirality for residue 125 atoms:  CA CG HB2 HB3
 &rst iat=1891,1896,1894,1895, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=1889,1899,1892,1893, &end
#
#  chirality for residue 126 atoms:  CA CG2 CG1 HB
 &rst iat=1903,1907,1911,1906, &end
#
#  chirality for residue 126 atoms:  CB CD1 HG12 HG13
 &rst iat=1905,1914,1912,1913, &end
#
#  chirality for residue 126 atoms:  N C HA CB
 &rst iat=1901,1918,1904,1905, &end
#
#  chirality for residue 127 atoms:  CA CG HB2 HB3
 &rst iat=1922,1927,1925,1926, &end
#
#  chirality for residue 127 atoms:  N C HA CB
 &rst iat=1920,1939,1923,1924, &end
#
#  chirality for residue 128 atoms:  CA CG HB2 HB3
 &rst iat=1943,1948,1946,1947, &end
#
#  chirality for residue 128 atoms:  CB CD HG2 HG3
 &rst iat=1945,1951,1949,1950, &end
#
#  chirality for residue 128 atoms:  CD NZ HE2 HE3
 &rst iat=1951,1957,1955,1956, &end
#
#  chirality for residue 128 atoms:  CG CE HD2 HD3
 &rst iat=1948,1954,1952,1953, &end
#
#  chirality for residue 128 atoms:  N C HA CB
 &rst iat=1941,1961,1944,1945, &end
#
#  chirality for residue 129 atoms:  CA CG HB2 HB3
 &rst iat=1965,1970,1968,1969, &end
#
#  chirality for residue 129 atoms:  CB CD HG2 HG3
 &rst iat=1967,1973,1971,1972, &end
#
#  chirality for residue 129 atoms:  N C HA CB
 &rst iat=1963,1978,1966,1967, &end
#
#  chirality for residue 130 atoms:  CA CG2 OG1 HB
 &rst iat=1982,1986,1990,1985, &end
#
#  chirality for residue 130 atoms:  N C HA CB
 &rst iat=1980,1992,1983,1984, &end
#
#  chirality for residue 131 atoms:  CA CG HB2 HB3
 &rst iat=1996,2001,1999,2000, &end
#
#  chirality for residue 131 atoms:  CB CD HG2 HG3
 &rst iat=1998,2004,2002,2003, &end
#
#  chirality for residue 131 atoms:  CG NE HD2 HD3
 &rst iat=2001,2007,2005,2006, &end
#
#  chirality for residue 131 atoms:  N C HA CB
 &rst iat=1994,2016,1997,1998, &end
#
#  chirality for residue 132 atoms:  CA CG HB2 HB3
 &rst iat=2020,2025,2023,2024, &end
#
#  chirality for residue 132 atoms:  N C HA CB
 &rst iat=2018,2028,2021,2022, &end
#
#  chirality for residue 133 atoms:  CA CG HB2 HB3
 &rst iat=2032,2037,2035,2036, &end
#
#  chirality for residue 133 atoms:  CB CD HG2 HG3
 &rst iat=2034,2040,2038,2039, &end
#
#  chirality for residue 133 atoms:  N C HA CB
 &rst iat=2030,2043,2033,2034, &end
#
#  chirality for residue 134 atoms:  CA CG HB2 HB3
 &rst iat=2047,2052,2050,2051, &end
#
#  chirality for residue 134 atoms:  CB CD1 CD2 HG
 &rst iat=2049,2054,2058,2053, &end
#
#  chirality for residue 134 atoms:  N C HA CB
 &rst iat=2045,2062,2048,2049, &end
#
#  chirality for residue 135 atoms:  CA CG HB2 HB3
 &rst iat=2066,2071,2069,2070, &end
#
#  chirality for residue 135 atoms:  CB CD HG2 HG3
 &rst iat=2068,2074,2072,2073, &end
#
#  chirality for residue 135 atoms:  N C HA CB
 &rst iat=2064,2077,2067,2068, &end
#
#  chirality for residue 136 atoms:  CA CG HB2 HB3
 &rst iat=2081,2086,2084,2085, &end
#
#  chirality for residue 136 atoms:  CB CD HG2 HG3
 &rst iat=2083,2089,2087,2088, &end
#
#  chirality for residue 136 atoms:  N C HA CB
 &rst iat=2079,2092,2082,2083, &end
#
#  chirality for residue 137 atoms:  CA CG HB2 HB3
 &rst iat=2096,2101,2099,2100, &end
#
#  chirality for residue 137 atoms:  CB CD1 CD2 HG
 &rst iat=2098,2103,2107,2102, &end
#
#  chirality for residue 137 atoms:  N C HA CB
 &rst iat=2094,2111,2097,2098, &end
#
#  chirality for residue 138 atoms:  CA CG HB2 HB3
 &rst iat=2115,2120,2118,2119, &end
#
#  chirality for residue 138 atoms:  CB CD1 CD2 HG
 &rst iat=2117,2122,2126,2121, &end
#
#  chirality for residue 138 atoms:  N C HA CB
 &rst iat=2113,2130,2116,2117, &end
#
#  chirality for residue 139 atoms:  CA CG HB2 HB3
 &rst iat=2134,2139,2137,2138, &end
#
#  chirality for residue 139 atoms:  CB CD HG2 HG3
 &rst iat=2136,2142,2140,2141, &end
#
#  chirality for residue 139 atoms:  CG NE HD2 HD3
 &rst iat=2139,2145,2143,2144, &end
#
#  chirality for residue 139 atoms:  N C HA CB
 &rst iat=2132,2154,2135,2136, &end
#
#  chirality for residue 140 atoms:  CA CG HB2 HB3
 &rst iat=2158,2163,2161,2162, &end
#
#  chirality for residue 140 atoms:  CB CD HG2 HG3
 &rst iat=2160,2166,2164,2165, &end
#
#  chirality for residue 140 atoms:  N C HA CB
 &rst iat=2156,2171,2159,2160, &end
#
#  chirality for residue 141 atoms:  CA CG HB2 HB3
 &rst iat=2175,2180,2178,2179, &end
#
#  chirality for residue 141 atoms:  CB CD1 CD2 HG
 &rst iat=2177,2182,2186,2181, &end
#
#  chirality for residue 141 atoms:  N C HA CB
 &rst iat=2173,2190,2176,2177, &end
#
#  chirality for residue 142 atoms:  N C HA CB
 &rst iat=2192,2200,2195,2196, &end
#
#  chirality for residue 143 atoms:  CA CG HB2 HB3
 &rst iat=2204,2209,2207,2208, &end
#
#  chirality for residue 143 atoms:  CB CD HG2 HG3
 &rst iat=2206,2212,2210,2211, &end
#
#  chirality for residue 143 atoms:  CD NZ HE2 HE3
 &rst iat=2212,2218,2216,2217, &end
#
#  chirality for residue 143 atoms:  CG CE HD2 HD3
 &rst iat=2209,2215,2213,2214, &end
#
#  chirality for residue 143 atoms:  N C HA CB
 &rst iat=2202,2222,2205,2206, &end
#
#  chirality for residue 144 atoms:  CA CG HB2 HB3
 &rst iat=2226,2231,2229,2230, &end
#
#  chirality for residue 144 atoms:  CB CD HG2 HG3
 &rst iat=2228,2234,2232,2233, &end
#
#  chirality for residue 144 atoms:  N C HA CB
 &rst iat=2224,2239,2227,2228, &end
#
#  chirality for residue 145 atoms:  CA CG HB2 HB3
 &rst iat=2243,2248,2246,2247, &end
#
#  chirality for residue 145 atoms:  CB CD1 CD2 HG
 &rst iat=2245,2250,2254,2249, &end
#
#  chirality for residue 145 atoms:  N C HA CB
 &rst iat=2241,2258,2244,2245, &end
#
#  chirality for residue 146 atoms:  CA CG HB2 HB3
 &rst iat=2262,2267,2265,2266, &end
#
#  chirality for residue 146 atoms:  CB CD HG2 HG3
 &rst iat=2264,2270,2268,2269, &end
#
#  chirality for residue 146 atoms:  CD NZ HE2 HE3
 &rst iat=2270,2276,2274,2275, &end
#
#  chirality for residue 146 atoms:  CG CE HD2 HD3
 &rst iat=2267,2273,2271,2272, &end
#
#  chirality for residue 146 atoms:  N C HA CB
 &rst iat=2260,2280,2263,2264, &end
#
#  chirality for residue 147 atoms:  CA CG HB2 HB3
 &rst iat=2284,2289,2287,2288, &end
#
#  chirality for residue 147 atoms:  CB CD HG2 HG3
 &rst iat=2286,2292,2290,2291, &end
#
#  chirality for residue 147 atoms:  CD NZ HE2 HE3
 &rst iat=2292,2298,2296,2297, &end
#
#  chirality for residue 147 atoms:  CG CE HD2 HD3
 &rst iat=2289,2295,2293,2294, &end
#
#  chirality for residue 147 atoms:  N C HA CB
 &rst iat=2282,2302,2285,2286, &end
#
#  chirality for residue 148 atoms:  CA CG HB2 HB3
 &rst iat=2306,2311,2309,2310, &end
#
#  chirality for residue 148 atoms:  N C HA CB
 &rst iat=2304,2314,2307,2308, &end
#
#  chirality for residue 149 atoms:  CA CG HB2 HB3
 &rst iat=2318,2323,2321,2322, &end
#
#  chirality for residue 149 atoms:  CB CD HG2 HG3
 &rst iat=2320,2326,2324,2325, &end
#
#  chirality for residue 149 atoms:  CG NE HD2 HD3
 &rst iat=2323,2329,2327,2328, &end
#
#  chirality for residue 149 atoms:  N C HA CB
 &rst iat=2316,2338,2319,2320, &end
#
#  chirality for residue 150 atoms:  CA CG HB2 HB3
 &rst iat=2342,2347,2345,2346, &end
#
#  chirality for residue 150 atoms:  CB CD HG2 HG3
 &rst iat=2344,2350,2348,2349, &end
#
#  chirality for residue 150 atoms:  CG NE HD2 HD3
 &rst iat=2347,2353,2351,2352, &end
#
#  chirality for residue 150 atoms:  N C HA CB
 &rst iat=2340,2362,2343,2344, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=34,32,30,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=53,51,49,34, &end
#
#  trans-omega constraint for residue 5
 &rst iat=72,70,68,53, &end
#
#  trans-omega constraint for residue 6
 &rst iat=92,90,88,72, &end
#
#  trans-omega constraint for residue 7
 &rst iat=108,106,104,92, &end
#
#  trans-omega constraint for residue 9
 &rst iat=133,131,129,119, &end
#
#  trans-omega constraint for residue 10
 &rst iat=140,138,136,133, &end
#
#  trans-omega constraint for residue 11
 &rst iat=154,152,150,140, &end
#
#  trans-omega constraint for residue 12
 &rst iat=168,166,164,154, &end
#
#  trans-omega constraint for residue 13
 &rst iat=179,177,175,168, &end
#
#  trans-omega constraint for residue 14
 &rst iat=203,201,199,179, &end
#
#  trans-omega constraint for residue 15
 &rst iat=222,212,210,203, &end
#
#  trans-omega constraint for residue 16
 &rst iat=228,226,224,222, &end
#
#  trans-omega constraint for residue 17
 &rst iat=245,243,241,228, &end
#
#  trans-omega constraint for residue 18
 &rst iat=255,253,251,245, &end
#
#  trans-omega constraint for residue 19
 &rst iat=270,268,266,255, &end
#
#  trans-omega constraint for residue 20
 &rst iat=280,278,276,270, &end
#
#  trans-omega constraint for residue 21
 &rst iat=299,297,295,280, &end
#
#  trans-omega constraint for residue 22
 &rst iat=319,317,315,299, &end
#
#  trans-omega constraint for residue 23
 &rst iat=341,339,337,319, &end
#
#  trans-omega constraint for residue 24
 &rst iat=352,350,348,341, &end
#
#  trans-omega constraint for residue 25
 &rst iat=371,369,367,352, &end
#
#  trans-omega constraint for residue 26
 &rst iat=381,379,377,371, &end
#
#  trans-omega constraint for residue 27
 &rst iat=396,394,392,381, &end
#
#  trans-omega constraint for residue 28
 &rst iat=420,418,416,396, &end
#
#  trans-omega constraint for residue 29
 &rst iat=435,433,431,420, &end
#
#  trans-omega constraint for residue 30
 &rst iat=442,440,438,435, &end
#
#  trans-omega constraint for residue 31
 &rst iat=461,459,457,442, &end
#
#  trans-omega constraint for residue 32
 &rst iat=475,473,471,461, &end
#
#  trans-omega constraint for residue 33
# &rst iat=491,489,487,475, &end
#
#  trans-omega constraint for residue 34
 &rst iat=505,503,501,491, &end
#
#  trans-omega constraint for residue 35
 &rst iat=521,519,517,505, &end
#
#  trans-omega constraint for residue 37
 &rst iat=556,554,552,545, &end
#
#  trans-omega constraint for residue 38
 &rst iat=566,564,562,556, &end
#
#  trans-omega constraint for residue 39
 &rst iat=573,571,569,566, &end
#
#  trans-omega constraint for residue 40
 &rst iat=589,587,585,573, &end
#
#  trans-omega constraint for residue 41
 &rst iat=609,607,605,589, &end
#
#  trans-omega constraint for residue 42
 &rst iat=619,617,615,609, &end
#
#  trans-omega constraint for residue 43
 &rst iat=638,628,626,619, &end
#
#  trans-omega constraint for residue 44
 &rst iat=644,642,640,638, &end
#
#  trans-omega constraint for residue 46
 &rst iat=665,663,661,658, &end
#
#  trans-omega constraint for residue 47
 &rst iat=687,685,683,665, &end
#
#  trans-omega constraint for residue 48
 &rst iat=697,695,693,687, &end
#
#  trans-omega constraint for residue 49
 &rst iat=719,709,707,697, &end
#
#  trans-omega constraint for residue 50
 &rst iat=725,723,721,719, &end
#
#  trans-omega constraint for residue 51
 &rst iat=742,740,738,725, &end
#
#  trans-omega constraint for residue 52
 &rst iat=752,750,748,742, &end
#
#  trans-omega constraint for residue 53
 &rst iat=768,766,764,752, &end
#
#  trans-omega constraint for residue 54
 &rst iat=783,781,779,768, &end
#
#  trans-omega constraint for residue 55
 &rst iat=793,791,789,783, &end
#
#  trans-omega constraint for residue 56
 &rst iat=812,810,808,793, &end
#
#  trans-omega constraint for residue 57
 &rst iat=832,830,828,812, &end
#
#  trans-omega constraint for residue 58
 &rst iat=847,845,843,832, &end
#
#  trans-omega constraint for residue 59
 &rst iat=869,867,865,847, &end
#
#  trans-omega constraint for residue 61
 &rst iat=905,903,901,886, &end
#
#  trans-omega constraint for residue 62
 &rst iat=915,913,911,905, &end
#
#  trans-omega constraint for residue 63
 &rst iat=934,932,930,915, &end
#
#  trans-omega constraint for residue 64
 &rst iat=948,946,944,934, &end
#
#  trans-omega constraint for residue 65
 &rst iat=965,963,961,948, &end
#
#  trans-omega constraint for residue 66
 &rst iat=981,979,977,965, &end
#
#  trans-omega constraint for residue 67
 &rst iat=992,990,988,981, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1011,1001,999,992, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1017,1015,1013,1011, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1036,1034,1032,1017, &end
#
#  trans-omega constraint for residue 71
# &rst iat=1050,1048,1046,1036, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1065,1063,1061,1050, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1080,1078,1076,1065, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1099,1097,1095,1080, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1116,1114,1112,1099, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1131,1129,1127,1116, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1142,1140,1138,1131, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1152,1150,1148,1142, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1164,1162,1160,1152, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1183,1181,1179,1164, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1199,1197,1195,1183, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1218,1216,1214,1199, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1228,1226,1224,1218, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1245,1243,1241,1228, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1259,1257,1255,1245, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1276,1274,1272,1259, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1293,1291,1289,1276, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1310,1308,1306,1293, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1332,1330,1328,1310, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1349,1347,1345,1332, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1368,1366,1364,1349, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1387,1385,1383,1368, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1397,1395,1393,1387, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1408,1406,1404,1397, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1452,1450,1448,1445, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1497,1495,1493,1476, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1521,1519,1517,1497, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1533,1531,1529,1521, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1555,1553,1551,1533, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1571,1569,1567,1555, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1591,1589,1587,1571, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1605,1603,1601,1591, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1624,1622,1620,1605, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1646,1644,1642,1624, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1661,1659,1657,1646, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1682,1680,1678,1661, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1698,1696,1694,1682, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1712,1710,1708,1698, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1719,1717,1715,1712, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1730,1728,1726,1719, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1747,1745,1743,1730, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1754,1752,1750,1747, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1766,1764,1762,1754, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1782,1780,1778,1766, &end
#
#  trans-omega constraint for residue 118
# &rst iat=1801,1799,1797,1782, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1821,1811,1809,1801, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1827,1825,1823,1821, &end
#
#  trans-omega constraint for residue 121
 &rst iat=1847,1845,1843,1827, &end
#
#  trans-omega constraint for residue 122
 &rst iat=1854,1852,1850,1847, &end
#
#  trans-omega constraint for residue 123
 &rst iat=1861,1859,1857,1854, &end
#
#  trans-omega constraint for residue 124
 &rst iat=1872,1870,1868,1861, &end
#
#  trans-omega constraint for residue 125
 &rst iat=1891,1889,1887,1872, &end
#
#  trans-omega constraint for residue 126
 &rst iat=1903,1901,1899,1891, &end
#
#  trans-omega constraint for residue 127
 &rst iat=1922,1920,1918,1903, &end
#
#  trans-omega constraint for residue 128
 &rst iat=1943,1941,1939,1922, &end
#
#  trans-omega constraint for residue 129
 &rst iat=1965,1963,1961,1943, &end
#
#  trans-omega constraint for residue 130
 &rst iat=1982,1980,1978,1965, &end
#
#  trans-omega constraint for residue 131
 &rst iat=1996,1994,1992,1982, &end
#
#  trans-omega constraint for residue 132
 &rst iat=2020,2018,2016,1996, &end
#
#  trans-omega constraint for residue 133
 &rst iat=2032,2030,2028,2020, &end
#
#  trans-omega constraint for residue 134
 &rst iat=2047,2045,2043,2032, &end
#
#  trans-omega constraint for residue 135
 &rst iat=2066,2064,2062,2047, &end
#
#  trans-omega constraint for residue 136
 &rst iat=2081,2079,2077,2066, &end
#
#  trans-omega constraint for residue 137
 &rst iat=2096,2094,2092,2081, &end
#
#  trans-omega constraint for residue 138
 &rst iat=2115,2113,2111,2096, &end
#
#  trans-omega constraint for residue 139
 &rst iat=2134,2132,2130,2115, &end
#
#  trans-omega constraint for residue 140
 &rst iat=2158,2156,2154,2134, &end
#
#  trans-omega constraint for residue 141
 &rst iat=2175,2173,2171,2158, &end
#
#  trans-omega constraint for residue 142
 &rst iat=2194,2192,2190,2175, &end
#
#  trans-omega constraint for residue 143
 &rst iat=2204,2202,2200,2194, &end
#
#  trans-omega constraint for residue 144
 &rst iat=2226,2224,2222,2204, &end
#
#  trans-omega constraint for residue 145
 &rst iat=2243,2241,2239,2226, &end
#
#  trans-omega constraint for residue 146
 &rst iat=2262,2260,2258,2243, &end
#
#  trans-omega constraint for residue 147
 &rst iat=2284,2282,2280,2262, &end
#
#  trans-omega constraint for residue 148
 &rst iat=2306,2304,2302,2284, &end
#
#  trans-omega constraint for residue 149
# &rst iat=2318,2316,2314,2306, &end
#
#  trans-omega constraint for residue 150
 &rst iat=2342,2340,2338,2318, &end
# 2364 atoms read from pdb file prm1.pdb.
# 2 ASP PSI:  (2 ASP N)-(2 ASP CA)-(2 ASP C)-(3 ILE N) 107.8 188.2
 &rst     iat =    20,    22,    30,    32,
	  r1 = 106.8, r2 = 107.8, r3 = 188.2, r4 = 189.2,
	  rk2 =   50.0, rk3 =   50.0,				&end

# 2 ASP PHI:  (1 MET C)-(2 ASP N)-(2 ASP CA)-(2 ASP C) -198.8 -98.8
 &rst     iat =    18,    20,    22,    30,
	  r1 = -199.8, r2 = -198.8, r3 = -98.8, r4 = -97.8,
	&end

# 3 ILE PSI:  (3 ILE N)-(3 ILE CA)-(3 ILE C)-(4 ILE N)  86.0 177.3
 &rst     iat =    32,    34,    49,    51,
	  r1 =  85.0, r2 =  86.0, r3 = 177.3, r4 = 178.3,
	&end

# 3 ILE PHI:  (2 ASP C)-(3 ILE N)-(3 ILE CA)-(3 ILE C) -169.7 -75.7
 &rst     iat =    30,    32,    34,    49,
	  r1 = -170.7, r2 = -169.7, r3 = -75.7, r4 = -74.7,
	&end

# 4 ILE PSI:  (4 ILE N)-(4 ILE CA)-(4 ILE C)-(5 PHE N)  94.8 184.7
 &rst     iat =    51,    53,    68,    70,
	  r1 =  93.8, r2 =  94.8, r3 = 184.7, r4 = 185.7,
	&end

# 4 ILE PHI:  (3 ILE C)-(4 ILE N)-(4 ILE CA)-(4 ILE C) -184.9 -79.1
 &rst     iat =    49,    51,    53,    68,
	  r1 = -185.9, r2 = -184.9, r3 = -79.1, r4 = -78.1,
	&end

# 5 PHE PSI:  (5 PHE N)-(5 PHE CA)-(5 PHE C)-(6 VAL N)  84.1 184.9
 &rst     iat =    70,    72,    88,    90,
	  r1 =  83.1, r2 =  84.1, r3 = 184.9, r4 = 185.9,
	&end

# 5 PHE PHI:  (4 ILE C)-(5 PHE N)-(5 PHE CA)-(5 PHE C) -161.9 -68.7
 &rst     iat =    68,    70,    72,    88,
	  r1 = -162.9, r2 = -161.9, r3 = -68.7, r4 = -67.7,
	&end

# 6 VAL PSI:  (6 VAL N)-(6 VAL CA)-(6 VAL C)-(7 CYS N)  93.1 181.9
 &rst     iat =    90,    92,   104,   106,
	  r1 =  92.1, r2 =  93.1, r3 = 181.9, r4 = 182.9,
	&end

# 6 VAL PHI:  (5 PHE C)-(6 VAL N)-(6 VAL CA)-(6 VAL C) -155.6 -79.6
 &rst     iat =    88,    90,    92,   104,
	  r1 = -156.6, r2 = -155.6, r3 = -79.6, r4 = -78.6,
	&end

# 14 SER PSI:  (14 SER N)-(14 SER CA)-(14 SER C)-(15 PRO N) -75.6  -7.1
 &rst     iat =   201,   203,   210,   212,
	  r1 = -76.6, r2 = -75.6, r3 =  -7.1, r4 =  -6.1,
	&end

# 14 SER PHI:  (13 ARG C)-(14 SER N)-(14 SER CA)-(14 SER C) -101.5 -30.4
 &rst     iat =   199,   201,   203,   210,
	  r1 = -102.5, r2 = -101.5, r3 = -30.4, r4 = -29.4,
	&end

# 15 PRO PSI:  (15 PRO N)-(15 PRO CA)-(15 PRO C)-(16 MET N) -74.8  -0.5
 &rst     iat =   212,   222,   224,   226,
	  r1 = -75.8, r2 = -74.8, r3 =  -0.5, r4 =   0.5,
	&end

# 16 MET PSI:  (16 MET N)-(16 MET CA)-(16 MET C)-(17 ALA N) -75.5   3.7
 &rst     iat =   226,   228,   241,   243,
	  r1 = -76.5, r2 = -75.5, r3 =   3.7, r4 =   4.7,
	&end

# 16 MET PHI:  (15 PRO C)-(16 MET N)-(16 MET CA)-(16 MET C) -102.6 -32.6
 &rst     iat =   224,   226,   228,   241,
	  r1 = -103.6, r2 = -102.6, r3 = -32.6, r4 = -31.6,
	&end

# 18 GLU PSI:  (18 GLU N)-(18 GLU CA)-(18 GLU C)-(19 ALA N) -77.9  -3.1
 &rst     iat =   253,   255,   266,   268,
	  r1 = -78.9, r2 = -77.9, r3 =  -3.1, r4 =  -2.1,
	&end

# 18 GLU PHI:  (17 ALA C)-(18 GLU N)-(18 GLU CA)-(18 GLU C) -101.7 -30.3
 &rst     iat =   251,   253,   255,   266,
	  r1 = -102.7, r2 = -101.7, r3 = -30.3, r4 = -29.3,
	&end

# 19 ALA PSI:  (19 ALA N)-(19 ALA CA)-(19 ALA C)-(20 LEU N) -77.4  -1.9
 &rst     iat =   268,   270,   276,   278,
	  r1 = -78.4, r2 = -77.4, r3 =  -1.9, r4 =  -0.9,
	&end

# 19 ALA PHI:  (18 GLU C)-(19 ALA N)-(19 ALA CA)-(19 ALA C) -99.3 -25.2
 &rst     iat =   266,   268,   270,   276,
	  r1 = -100.3, r2 = -99.3, r3 = -25.2, r4 = -24.2,
	&end

# 20 LEU PSI:  (20 LEU N)-(20 LEU CA)-(20 LEU C)-(21 PHE N) -76.6  -8.7
 &rst     iat =   278,   280,   295,   297,
	  r1 = -77.6, r2 = -76.6, r3 =  -8.7, r4 =  -7.7,
	&end

# 20 LEU PHI:  (19 ALA C)-(20 LEU N)-(20 LEU CA)-(20 LEU C) -98.0 -28.5
 &rst     iat =   276,   278,   280,   295,
	  r1 = -99.0, r2 = -98.0, r3 = -28.5, r4 = -27.5,
	&end

# 21 PHE PSI:  (21 PHE N)-(21 PHE CA)-(21 PHE C)-(22 LYS N) -78.5  -4.2
 &rst     iat =   297,   299,   315,   317,
	  r1 = -79.5, r2 = -78.5, r3 =  -4.2, r4 =  -3.2,
	&end

# 21 PHE PHI:  (20 LEU C)-(21 PHE N)-(21 PHE CA)-(21 PHE C) -98.7 -26.6
 &rst     iat =   295,   297,   299,   315,
	  r1 = -99.7, r2 = -98.7, r3 = -26.6, r4 = -25.6,
	&end

# 22 LYS PSI:  (22 LYS N)-(22 LYS CA)-(22 LYS C)-(23 SER N) -77.4  -1.9
 &rst     iat =   317,   319,   337,   339,
	  r1 = -78.4, r2 = -77.4, r3 =  -1.9, r4 =  -0.9,
	&end

# 22 LYS PHI:  (21 PHE C)-(22 LYS N)-(22 LYS CA)-(22 LYS C) -102.5 -31.5
 &rst     iat =   315,   317,   319,   337,
	  r1 = -103.5, r2 = -102.5, r3 = -31.5, r4 = -30.5,
	&end

# 23 SER PSI:  (23 SER N)-(23 SER CA)-(23 SER C)-(24 ILE N) -76.6  -1.7
 &rst     iat =   339,   341,   348,   350,
	  r1 = -77.6, r2 = -76.6, r3 =  -1.7, r4 =  -0.7,
	&end

# 23 SER PHI:  (22 LYS C)-(23 SER N)-(23 SER CA)-(23 SER C) -101.8 -28.4
 &rst     iat =   337,   339,   341,   348,
	  r1 = -102.8, r2 = -101.8, r3 = -28.4, r4 = -27.4,
	&end

# 24 ILE PSI:  (24 ILE N)-(24 ILE CA)-(24 ILE C)-(25 ALA N) -78.2  -9.0
 &rst     iat =   350,   352,   367,   369,
	  r1 = -79.2, r2 = -78.2, r3 =  -9.0, r4 =  -8.0,
	&end

# 24 ILE PHI:  (23 SER C)-(24 ILE N)-(24 ILE CA)-(24 ILE C) -103.8 -32.2
 &rst     iat =   348,   350,   352,   367,
	  r1 = -104.8, r2 = -103.8, r3 = -32.2, r4 = -31.2,
	&end

# 25 ALA PSI:  (25 ALA N)-(25 ALA CA)-(25 ALA C)-(26 GLU N) -77.0  -1.2
 &rst     iat =   369,   371,   377,   379,
	  r1 = -78.0, r2 = -77.0, r3 =  -1.2, r4 =  -0.2,
	&end

# 25 ALA PHI:  (24 ILE C)-(25 ALA N)-(25 ALA CA)-(25 ALA C) -98.4 -28.8
 &rst     iat =   367,   369,   371,   377,
	  r1 = -99.4, r2 = -98.4, r3 = -28.8, r4 = -27.8,
	&end

# 26 GLU PSI:  (26 GLU N)-(26 GLU CA)-(26 GLU C)-(27 ARG N) -79.1  -4.2
 &rst     iat =   379,   381,   392,   394,
	  r1 = -80.1, r2 = -79.1, r3 =  -4.2, r4 =  -3.2,
	&end

# 26 GLU PHI:  (25 ALA C)-(26 GLU N)-(26 GLU CA)-(26 GLU C) -100.6 -24.2
 &rst     iat =   377,   379,   381,   392,
	  r1 = -101.6, r2 = -100.6, r3 = -24.2, r4 = -23.2,
	&end

# 28 GLU PSI:  (28 GLU N)-(28 GLU CA)-(28 GLU C)-(29 GLY N) -39.3  52.4
 &rst     iat =   418,   420,   431,   433,
	  r1 = -40.3, r2 = -39.3, r3 =  52.4, r4 =  53.4,
	&end

# 28 GLU PHI:  (27 ARG C)-(28 GLU N)-(28 GLU CA)-(28 GLU C) -142.0 -53.2
 &rst     iat =   416,   418,   420,   431,
	  r1 = -143.0, r2 = -142.0, r3 = -53.2, r4 = -52.2,
	&end

# 30 LEU PSI:  (30 LEU N)-(30 LEU CA)-(30 LEU C)-(31 ASN N)  93.8 189.5
 &rst     iat =   440,   442,   457,   459,
	  r1 =  92.8, r2 =  93.8, r3 = 189.5, r4 = 190.5,
	&end

# 30 LEU PHI:  (29 GLY C)-(30 LEU N)-(30 LEU CA)-(30 LEU C) -158.3 -57.7
 &rst     iat =   438,   440,   442,   457,
	  r1 = -159.3, r2 = -158.3, r3 = -57.7, r4 = -56.7,
	&end

# 33 ASN PSI:  (33 ASN N)-(33 ASN CA)-(33 ASN C)-(34 VAL N)  81.3 173.1
 &rst     iat =   489,   491,   501,   503,
	  r1 =  80.3, r2 =  81.3, r3 = 173.1, r4 = 174.1,
	&end

# 33 ASN PHI:  (32 VAL C)-(33 ASN N)-(33 ASN CA)-(33 ASN C) -158.5 -64.4
 &rst     iat =   487,   489,   491,   501,
	  r1 = -159.5, r2 = -158.5, r3 = -64.4, r4 = -63.4,
	&end

# 34 VAL PSI:  (34 VAL N)-(34 VAL CA)-(34 VAL C)-(35 ARG N)  93.2 171.4
 &rst     iat =   503,   505,   517,   519,
	  r1 =  92.2, r2 =  93.2, r3 = 171.4, r4 = 172.4,
	&end

# 34 VAL PHI:  (33 ASN C)-(34 VAL N)-(34 VAL CA)-(34 VAL C) -164.6 -68.7
 &rst     iat =   501,   503,   505,   517,
	  r1 = -165.6, r2 = -164.6, r3 = -68.7, r4 = -67.7,
	&end

# 35 ARG PSI:  (35 ARG N)-(35 ARG CA)-(35 ARG C)-(36 SER N) 104.6 192.5
 &rst     iat =   519,   521,   541,   543,
	  r1 = 103.6, r2 = 104.6, r3 = 192.5, r4 = 193.5,
	&end

# 35 ARG PHI:  (34 VAL C)-(35 ARG N)-(35 ARG CA)-(35 ARG C) -184.0 -81.9
 &rst     iat =   517,   519,   521,   541,
	  r1 = -185.0, r2 = -184.0, r3 = -81.9, r4 = -80.9,
	&end

# 36 SER PSI:  (36 SER N)-(36 SER CA)-(36 SER C)-(37 ALA N)  98.3 191.1
 &rst     iat =   543,   545,   552,   554,
	  r1 =  97.3, r2 =  98.3, r3 = 191.1, r4 = 192.1,
	&end

# 36 SER PHI:  (35 ARG C)-(36 SER N)-(36 SER CA)-(36 SER C) -179.9 -77.2
 &rst     iat =   541,   543,   545,   552,
	  r1 = -180.9, r2 = -179.9, r3 = -77.2, r4 = -76.2,
	&end

# 51 ALA PSI:  (51 ALA N)-(51 ALA CA)-(51 ALA C)-(52 VAL N) -71.9  -4.3
 &rst     iat =   740,   742,   748,   750,
	  r1 = -72.9, r2 = -71.9, r3 =  -4.3, r4 =  -3.3,
	&end

# 51 ALA PHI:  (50 HIS C)-(51 ALA N)-(51 ALA CA)-(51 ALA C) -101.3 -32.9
 &rst     iat =   738,   740,   742,   748,
	  r1 = -102.3, r2 = -101.3, r3 = -32.9, r4 = -31.9,
	&end

# 53 GLU PSI:  (53 GLU N)-(53 GLU CA)-(53 GLU C)-(54 ALA N) -79.3  10.0
 &rst     iat =   766,   768,   779,   781,
	  r1 = -80.3, r2 = -79.3, r3 =  10.0, r4 =  11.0,
	&end

# 53 GLU PHI:  (52 VAL C)-(53 GLU N)-(53 GLU CA)-(53 GLU C) -102.4 -30.8
 &rst     iat =   764,   766,   768,   779,
	  r1 = -103.4, r2 = -102.4, r3 = -30.8, r4 = -29.8,
	&end

# 54 ALA PSI:  (54 ALA N)-(54 ALA CA)-(54 ALA C)-(55 LEU N) -78.5   1.2
 &rst     iat =   781,   783,   789,   791,
	  r1 = -79.5, r2 = -78.5, r3 =   1.2, r4 =   2.2,
	&end

# 54 ALA PHI:  (53 GLU C)-(54 ALA N)-(54 ALA CA)-(54 ALA C) -102.3 -31.3
 &rst     iat =   779,   781,   783,   789,
	  r1 = -103.3, r2 = -102.3, r3 = -31.3, r4 = -30.3,
	&end

# 55 LEU PSI:  (55 LEU N)-(55 LEU CA)-(55 LEU C)-(56 PHE N) -78.2  -3.8
 &rst     iat =   791,   793,   808,   810,
	  r1 = -79.2, r2 = -78.2, r3 =  -3.8, r4 =  -2.8,
	&end

# 55 LEU PHI:  (54 ALA C)-(55 LEU N)-(55 LEU CA)-(55 LEU C) -101.5 -26.2
 &rst     iat =   789,   791,   793,   808,
	  r1 = -102.5, r2 = -101.5, r3 = -26.2, r4 = -25.2,
	&end

# 56 PHE PSI:  (56 PHE N)-(56 PHE CA)-(56 PHE C)-(57 GLU N) -75.5  -7.1
 &rst     iat =   810,   812,   828,   830,
	  r1 = -76.5, r2 = -75.5, r3 =  -7.1, r4 =  -6.1,
	&end

# 56 PHE PHI:  (55 LEU C)-(56 PHE N)-(56 PHE CA)-(56 PHE C) -103.0 -29.6
 &rst     iat =   808,   810,   812,   828,
	  r1 = -104.0, r2 = -103.0, r3 = -29.6, r4 = -28.6,
	&end

# 57 GLU PSI:  (57 GLU N)-(57 GLU CA)-(57 GLU C)-(58 LYS N) -64.8  17.3
 &rst     iat =   830,   832,   843,   845,
	  r1 = -65.8, r2 = -64.8, r3 =  17.3, r4 =  18.3,
	&end

# 57 GLU PHI:  (56 PHE C)-(57 GLU N)-(57 GLU CA)-(57 GLU C) -107.3 -28.6
 &rst     iat =   828,   830,   832,   843,
	  r1 = -108.3, r2 = -107.3, r3 = -28.6, r4 = -27.6,
	&end

# 58 LYS PSI:  (58 LYS N)-(58 LYS CA)-(58 LYS C)-(59 HIS N) -50.6  44.0
 &rst     iat =   845,   847,   865,   867,
	  r1 = -51.6, r2 = -50.6, r3 =  44.0, r4 =  45.0,
	&end

# 58 LYS PHI:  (57 GLU C)-(58 LYS N)-(58 LYS CA)-(58 LYS C) -150.1 -60.2
 &rst     iat =   843,   845,   847,   865,
	  r1 = -151.1, r2 = -150.1, r3 = -60.2, r4 = -59.2,
	&end

# 64 HIS PSI:  (64 HIS N)-(64 HIS CA)-(64 HIS C)-(65 VAL N)  81.9 172.9
 &rst     iat =   946,   948,   961,   963,
	  r1 =  80.9, r2 =  81.9, r3 = 172.9, r4 = 173.9,
	&end

# 64 HIS PHI:  (63 ASN C)-(64 HIS N)-(64 HIS CA)-(64 HIS C) -187.6 -59.0
 &rst     iat =   944,   946,   948,   961,
	  r1 = -188.6, r2 = -187.6, r3 = -59.0, r4 = -58.0,
	&end

# 65 VAL PSI:  (65 VAL N)-(65 VAL CA)-(65 VAL C)-(66 SER N)  91.9 174.3
 &rst     iat =   963,   965,   977,   979,
	  r1 =  90.9, r2 =  91.9, r3 = 174.3, r4 = 175.3,
	&end

# 65 VAL PHI:  (64 HIS C)-(65 VAL N)-(65 VAL CA)-(65 VAL C) -155.0 -66.5
 &rst     iat =   961,   963,   965,   977,
	  r1 = -156.0, r2 = -155.0, r3 = -66.5, r4 = -65.5,
	&end

# 67 SER PSI:  (67 SER N)-(67 SER CA)-(67 SER C)-(68 PRO N)  86.0 191.6
 &rst     iat =   990,   992,   999,  1001,
	  r1 =  85.0, r2 =  86.0, r3 = 191.6, r4 = 192.6,
	&end

# 67 SER PHI:  (66 SER C)-(67 SER N)-(67 SER CA)-(67 SER C) -167.2 -56.3
 &rst     iat =   988,   990,   992,   999,
	  r1 = -168.2, r2 = -167.2, r3 = -56.3, r4 = -55.3,
	&end

# 71 GLU PSI:  (71 GLU N)-(71 GLU CA)-(71 GLU C)-(72 GLU N) -72.9   3.5
 &rst     iat =  1048,  1050,  1061,  1063,
	  r1 = -73.9, r2 = -72.9, r3 =   3.5, r4 =   4.5,
	&end

# 71 GLU PHI:  (70 THR C)-(71 GLU N)-(71 GLU CA)-(71 GLU C) -100.1 -26.1
 &rst     iat =  1046,  1048,  1050,  1061,
	  r1 = -101.1, r2 = -100.1, r3 = -26.1, r4 = -25.1,
	&end

# 72 GLU PSI:  (72 GLU N)-(72 GLU CA)-(72 GLU C)-(73 LEU N) -77.4  -2.2
 &rst     iat =  1063,  1065,  1076,  1078,
	  r1 = -78.4, r2 = -77.4, r3 =  -2.2, r4 =  -1.2,
	&end

# 72 GLU PHI:  (71 GLU C)-(72 GLU N)-(72 GLU CA)-(72 GLU C) -99.7 -27.6
 &rst     iat =  1061,  1063,  1065,  1076,
	  r1 = -100.7, r2 = -99.7, r3 = -27.6, r4 = -26.6,
	&end

# 73 LEU PSI:  (73 LEU N)-(73 LEU CA)-(73 LEU C)-(74 MET N) -78.0   1.1
 &rst     iat =  1078,  1080,  1095,  1097,
	  r1 = -79.0, r2 = -78.0, r3 =   1.1, r4 =   2.1,
	&end

# 73 LEU PHI:  (72 GLU C)-(73 LEU N)-(73 LEU CA)-(73 LEU C) -102.4 -31.6
 &rst     iat =  1076,  1078,  1080,  1095,
	  r1 = -103.4, r2 = -102.4, r3 = -31.6, r4 = -30.6,
	&end

# 74 MET PSI:  (74 MET N)-(74 MET CA)-(74 MET C)-(75 GLU N) -74.8   4.7
 &rst     iat =  1097,  1099,  1112,  1114,
	  r1 = -75.8, r2 = -74.8, r3 =   4.7, r4 =   5.7,
	&end

# 74 MET PHI:  (73 LEU C)-(74 MET N)-(74 MET CA)-(74 MET C) -105.9 -28.7
 &rst     iat =  1095,  1097,  1099,  1112,
	  r1 = -106.9, r2 = -105.9, r3 = -28.7, r4 = -27.7,
	&end

# 75 GLU PSI:  (75 GLU N)-(75 GLU CA)-(75 GLU C)-(76 SER N) -73.1  13.8
 &rst     iat =  1114,  1116,  1127,  1129,
	  r1 = -74.1, r2 = -73.1, r3 =  13.8, r4 =  14.8,
	&end

# 75 GLU PHI:  (74 MET C)-(75 GLU N)-(75 GLU CA)-(75 GLU C) -104.4 -27.6
 &rst     iat =  1112,  1114,  1116,  1127,
	  r1 = -105.4, r2 = -104.4, r3 = -27.6, r4 = -26.6,
	&end

# 80 VAL PSI:  (80 VAL N)-(80 VAL CA)-(80 VAL C)-(81 LEU N)  87.5 167.8
 &rst     iat =  1181,  1183,  1195,  1197,
	  r1 =  86.5, r2 =  87.5, r3 = 167.8, r4 = 168.8,
	&end

# 80 VAL PHI:  (79 LEU C)-(80 VAL N)-(80 VAL CA)-(80 VAL C) -147.9 -61.9
 &rst     iat =  1179,  1181,  1183,  1195,
	  r1 = -148.9, r2 = -147.9, r3 = -61.9, r4 = -60.9,
	&end

# 81 LEU PSI:  (81 LEU N)-(81 LEU CA)-(81 LEU C)-(82 ALA N)  89.7 183.1
 &rst     iat =  1197,  1199,  1214,  1216,
	  r1 =  88.7, r2 =  89.7, r3 = 183.1, r4 = 184.1,
	&end

# 81 LEU PHI:  (80 VAL C)-(81 LEU N)-(81 LEU CA)-(81 LEU C) -154.9 -49.3
 &rst     iat =  1195,  1197,  1199,  1214,
	  r1 = -155.9, r2 = -154.9, r3 = -49.3, r4 = -48.3,
	&end

# 82 ALA PSI:  (82 ALA N)-(82 ALA CA)-(82 ALA C)-(83 MET N)  99.8 198.0
 &rst     iat =  1216,  1218,  1224,  1226,
	  r1 =  98.8, r2 =  99.8, r3 = 198.0, r4 = 199.0,
	&end

# 82 ALA PHI:  (81 LEU C)-(82 ALA N)-(82 ALA CA)-(82 ALA C) -150.1 -58.2
 &rst     iat =  1214,  1216,  1218,  1224,
	  r1 = -151.1, r2 = -150.1, r3 = -58.2, r4 = -57.2,
	&end

# 84 THR PSI:  (84 THR N)-(84 THR CA)-(84 THR C)-(85 HIS N) 120.1 207.4
 &rst     iat =  1243,  1245,  1255,  1257,
	  r1 = 119.1, r2 = 120.1, r3 = 207.4, r4 = 208.4,
	&end

# 84 THR PHI:  (83 MET C)-(84 THR N)-(84 THR CA)-(84 THR C) -156.0 -48.6
 &rst     iat =  1241,  1243,  1245,  1255,
	  r1 = -157.0, r2 = -156.0, r3 = -48.6, r4 = -47.6,
	&end

# 85 HIS PSI:  (85 HIS N)-(85 HIS CA)-(85 HIS C)-(86 GLN N) -72.8   0.5
 &rst     iat =  1257,  1259,  1272,  1274,
	  r1 = -73.8, r2 = -72.8, r3 =   0.5, r4 =   1.5,
	&end

# 85 HIS PHI:  (84 THR C)-(85 HIS N)-(85 HIS CA)-(85 HIS C) -97.6 -28.8
 &rst     iat =  1255,  1257,  1259,  1272,
	  r1 = -98.6, r2 = -97.6, r3 = -28.8, r4 = -27.8,
	&end

# 86 GLN PSI:  (86 GLN N)-(86 GLN CA)-(86 GLN C)-(87 HIS N) -80.2  -3.1
 &rst     iat =  1274,  1276,  1289,  1291,
	  r1 = -81.2, r2 = -80.2, r3 =  -3.1, r4 =  -2.1,
	&end

# 86 GLN PHI:  (85 HIS C)-(86 GLN N)-(86 GLN CA)-(86 GLN C) -99.4 -30.2
 &rst     iat =  1272,  1274,  1276,  1289,
	  r1 = -100.4, r2 = -99.4, r3 = -30.2, r4 = -29.2,
	&end

# 87 HIS PSI:  (87 HIS N)-(87 HIS CA)-(87 HIS C)-(88 LYS N) -82.2  -1.4
 &rst     iat =  1291,  1293,  1306,  1308,
	  r1 = -83.2, r2 = -82.2, r3 =  -1.4, r4 =  -0.4,
	&end

# 87 HIS PHI:  (86 GLN C)-(87 HIS N)-(87 HIS CA)-(87 HIS C) -101.9 -28.5
 &rst     iat =  1289,  1291,  1293,  1306,
	  r1 = -102.9, r2 = -101.9, r3 = -28.5, r4 = -27.5,
	&end

# 88 LYS PSI:  (88 LYS N)-(88 LYS CA)-(88 LYS C)-(89 GLN N) -80.5  -3.3
 &rst     iat =  1308,  1310,  1328,  1330,
	  r1 = -81.5, r2 = -80.5, r3 =  -3.3, r4 =  -2.3,
	&end

# 88 LYS PHI:  (87 HIS C)-(88 LYS N)-(88 LYS CA)-(88 LYS C) -97.9 -27.6
 &rst     iat =  1306,  1308,  1310,  1328,
	  r1 = -98.9, r2 = -97.9, r3 = -27.6, r4 = -26.6,
	&end

# 89 GLN PSI:  (89 GLN N)-(89 GLN CA)-(89 GLN C)-(90 ILE N) -76.1  -4.9
 &rst     iat =  1330,  1332,  1345,  1347,
	  r1 = -77.1, r2 = -76.1, r3 =  -4.9, r4 =  -3.9,
	&end

# 89 GLN PHI:  (88 LYS C)-(89 GLN N)-(89 GLN CA)-(89 GLN C) -101.5 -24.0
 &rst     iat =  1328,  1330,  1332,  1345,
	  r1 = -102.5, r2 = -101.5, r3 = -24.0, r4 = -23.0,
	&end

# 90 ILE PSI:  (90 ILE N)-(90 ILE CA)-(90 ILE C)-(91 ILE N) -80.8  -9.8
 &rst     iat =  1347,  1349,  1364,  1366,
	  r1 = -81.8, r2 = -80.8, r3 =  -9.8, r4 =  -8.8,
	&end

# 90 ILE PHI:  (89 GLN C)-(90 ILE N)-(90 ILE CA)-(90 ILE C) -98.0 -30.7
 &rst     iat =  1345,  1347,  1349,  1364,
	  r1 = -99.0, r2 = -98.0, r3 = -30.7, r4 = -29.7,
	&end

# 91 ILE PSI:  (91 ILE N)-(91 ILE CA)-(91 ILE C)-(92 ALA N) -77.9  -3.0
 &rst     iat =  1366,  1368,  1383,  1385,
	  r1 = -78.9, r2 = -77.9, r3 =  -3.0, r4 =  -2.0,
	&end

# 91 ILE PHI:  (90 ILE C)-(91 ILE N)-(91 ILE CA)-(91 ILE C) -101.3 -30.3
 &rst     iat =  1364,  1366,  1368,  1383,
	  r1 = -102.3, r2 = -101.3, r3 = -30.3, r4 = -29.3,
	&end

# 92 ALA PSI:  (92 ALA N)-(92 ALA CA)-(92 ALA C)-(93 SER N) -79.1  -1.9
 &rst     iat =  1385,  1387,  1393,  1395,
	  r1 = -80.1, r2 = -79.1, r3 =  -1.9, r4 =  -0.9,
	&end

# 92 ALA PHI:  (91 ILE C)-(92 ALA N)-(92 ALA CA)-(92 ALA C) -99.0 -25.4
 &rst     iat =  1383,  1385,  1387,  1393,
	  r1 = -100.0, r2 = -99.0, r3 = -25.4, r4 = -24.4,
	&end

# 99 ARG PSI:  (99 ARG N)-(99 ARG CA)-(99 ARG C)-(100 ASP N) -67.6  15.2
 &rst     iat =  1495,  1497,  1517,  1519,
	  r1 = -68.6, r2 = -67.6, r3 =  15.2, r4 =  16.2,
	&end

# 99 ARG PHI:  (98 TYR C)-(99 ARG N)-(99 ARG CA)-(99 ARG C) -99.3 -26.5
 &rst     iat =  1493,  1495,  1497,  1517,
	  r1 = -100.3, r2 = -99.3, r3 = -26.5, r4 = -25.5,
	&end

# 102 VAL PSI:  (102 VAL N)-(102 VAL CA)-(102 VAL C)-(103 PHE N)  82.7 184.2
 &rst     iat =  1553,  1555,  1567,  1569,
	  r1 =  81.7, r2 =  82.7, r3 = 184.2, r4 = 185.2,
	&end

# 102 VAL PHI:  (101 LYS C)-(102 VAL N)-(102 VAL CA)-(102 VAL C) -174.8 -64.6
 &rst     iat =  1551,  1553,  1555,  1567,
	  r1 = -175.8, r2 = -174.8, r3 = -64.6, r4 = -63.6,
	&end

# 103 PHE PSI:  (103 PHE N)-(103 PHE CA)-(103 PHE C)-(104 THR N)  92.1 190.8
 &rst     iat =  1569,  1571,  1587,  1589,
	  r1 =  91.1, r2 =  92.1, r3 = 190.8, r4 = 191.8,
	&end

# 103 PHE PHI:  (102 VAL C)-(103 PHE N)-(103 PHE CA)-(103 PHE C) -162.8 -64.7
 &rst     iat =  1567,  1569,  1571,  1587,
	  r1 = -163.8, r2 = -162.8, r3 = -64.7, r4 = -63.7,
	&end

# 104 THR PSI:  (104 THR N)-(104 THR CA)-(104 THR C)-(105 LEU N)  98.3 210.7
 &rst     iat =  1589,  1591,  1601,  1603,
	  r1 =  97.3, r2 =  98.3, r3 = 210.7, r4 = 211.7,
	&end

# 104 THR PHI:  (103 PHE C)-(104 THR N)-(104 THR CA)-(104 THR C) -154.6 -54.6
 &rst     iat =  1587,  1589,  1591,  1601,
	  r1 = -155.6, r2 = -154.6, r3 = -54.6, r4 = -53.6,
	&end

# 105 LEU PSI:  (105 LEU N)-(105 LEU CA)-(105 LEU C)-(106 LYS N) -76.7   2.9
 &rst     iat =  1603,  1605,  1620,  1622,
	  r1 = -77.7, r2 = -76.7, r3 =   2.9, r4 =   3.9,
	&end

# 105 LEU PHI:  (104 THR C)-(105 LEU N)-(105 LEU CA)-(105 LEU C) -96.7 -22.0
 &rst     iat =  1601,  1603,  1605,  1620,
	  r1 = -97.7, r2 = -96.7, r3 = -22.0, r4 = -21.0,
	&end

# 106 LYS PSI:  (106 LYS N)-(106 LYS CA)-(106 LYS C)-(107 GLU N) -74.9  -4.6
 &rst     iat =  1622,  1624,  1642,  1644,
	  r1 = -75.9, r2 = -74.9, r3 =  -4.6, r4 =  -3.6,
	&end

# 106 LYS PHI:  (105 LEU C)-(106 LYS N)-(106 LYS CA)-(106 LYS C) -103.1 -30.9
 &rst     iat =  1620,  1622,  1624,  1642,
	  r1 = -104.1, r2 = -103.1, r3 = -30.9, r4 = -29.9,
	&end

# 107 GLU PSI:  (107 GLU N)-(107 GLU CA)-(107 GLU C)-(108 TYR N) -74.3  -3.2
 &rst     iat =  1644,  1646,  1657,  1659,
	  r1 = -75.3, r2 = -74.3, r3 =  -3.2, r4 =  -2.2,
	&end

# 107 GLU PHI:  (106 LYS C)-(107 GLU N)-(107 GLU CA)-(107 GLU C) -103.6 -31.4
 &rst     iat =  1642,  1644,  1646,  1657,
	  r1 = -104.6, r2 = -103.6, r3 = -31.4, r4 = -30.4,
	&end

# 108 TYR PSI:  (108 TYR N)-(108 TYR CA)-(108 TYR C)-(109 VAL N) -73.7   1.2
 &rst     iat =  1659,  1661,  1678,  1680,
	  r1 = -74.7, r2 = -73.7, r3 =   1.2, r4 =   2.2,
	&end

# 108 TYR PHI:  (107 GLU C)-(108 TYR N)-(108 TYR CA)-(108 TYR C) -115.5 -25.8
 &rst     iat =  1657,  1659,  1661,  1678,
	  r1 = -116.5, r2 = -115.5, r3 = -25.8, r4 = -24.8,
	&end

# 109 VAL PSI:  (109 VAL N)-(109 VAL CA)-(109 VAL C)-(110 THR N) -86.0  20.3
 &rst     iat =  1680,  1682,  1694,  1696,
	  r1 = -87.0, r2 = -86.0, r3 =  20.3, r4 =  21.3,
	&end

# 109 VAL PHI:  (108 TYR C)-(109 VAL N)-(109 VAL CA)-(109 VAL C) -132.2 -39.2
 &rst     iat =  1678,  1680,  1682,  1694,
	  r1 = -133.2, r2 = -132.2, r3 = -39.2, r4 = -38.2,
	&end

# 112 SER PSI:  (112 SER N)-(112 SER CA)-(112 SER C)-(113 HIS N)  77.7 191.7
 &rst     iat =  1717,  1719,  1726,  1728,
	  r1 =  76.7, r2 =  77.7, r3 = 191.7, r4 = 192.7,
	&end

# 112 SER PHI:  (111 GLY C)-(112 SER N)-(112 SER CA)-(112 SER C) -148.6 -55.1
 &rst     iat =  1715,  1717,  1719,  1726,
	  r1 = -149.6, r2 = -148.6, r3 = -55.1, r4 = -54.1,
	&end

# 124 ILE PSI:  (124 ILE N)-(124 ILE CA)-(124 ILE C)-(125 ASP N) -79.5  15.8
 &rst     iat =  1870,  1872,  1887,  1889,
	  r1 = -80.5, r2 = -79.5, r3 =  15.8, r4 =  16.8,
	&end

# 124 ILE PHI:  (123 SER C)-(124 ILE N)-(124 ILE CA)-(124 ILE C) -103.2 -22.4
 &rst     iat =  1868,  1870,  1872,  1887,
	  r1 = -104.2, r2 = -103.2, r3 = -22.4, r4 = -21.4,
	&end

# 125 ASP PSI:  (125 ASP N)-(125 ASP CA)-(125 ASP C)-(126 ILE N) -81.2  -4.6
 &rst     iat =  1889,  1891,  1899,  1901,
	  r1 = -82.2, r2 = -81.2, r3 =  -4.6, r4 =  -3.6,
	&end

# 125 ASP PHI:  (124 ILE C)-(125 ASP N)-(125 ASP CA)-(125 ASP C) -98.4 -24.7
 &rst     iat =  1887,  1889,  1891,  1899,
	  r1 = -99.4, r2 = -98.4, r3 = -24.7, r4 = -23.7,
	&end

# 126 ILE PSI:  (126 ILE N)-(126 ILE CA)-(126 ILE C)-(127 TYR N) -73.9  -6.3
 &rst     iat =  1901,  1903,  1918,  1920,
	  r1 = -74.9, r2 = -73.9, r3 =  -6.3, r4 =  -5.3,
	&end

# 126 ILE PHI:  (125 ASP C)-(126 ILE N)-(126 ILE CA)-(126 ILE C) -105.3 -30.0
 &rst     iat =  1899,  1901,  1903,  1918,
	  r1 = -106.3, r2 = -105.3, r3 = -30.0, r4 = -29.0,
	&end

# 127 TYR PSI:  (127 TYR N)-(127 TYR CA)-(127 TYR C)-(128 LYS N) -75.2  -7.3
 &rst     iat =  1920,  1922,  1939,  1941,
	  r1 = -76.2, r2 = -75.2, r3 =  -7.3, r4 =  -6.3,
	&end

# 127 TYR PHI:  (126 ILE C)-(127 TYR N)-(127 TYR CA)-(127 TYR C) -101.9 -28.8
 &rst     iat =  1918,  1920,  1922,  1939,
	  r1 = -102.9, r2 = -101.9, r3 = -28.8, r4 = -27.8,
	&end

# 128 LYS PSI:  (128 LYS N)-(128 LYS CA)-(128 LYS C)-(129 GLN N) -84.0  -1.4
 &rst     iat =  1941,  1943,  1961,  1963,
	  r1 = -85.0, r2 = -84.0, r3 =  -1.4, r4 =  -0.4,
	&end

# 128 LYS PHI:  (127 TYR C)-(128 LYS N)-(128 LYS CA)-(128 LYS C) -101.3 -29.8
 &rst     iat =  1939,  1941,  1943,  1961,
	  r1 = -102.3, r2 = -101.3, r3 = -29.8, r4 = -28.8,
	&end

# 129 GLN PSI:  (129 GLN N)-(129 GLN CA)-(129 GLN C)-(130 THR N) -78.2  -2.1
 &rst     iat =  1963,  1965,  1978,  1980,
	  r1 = -79.2, r2 = -78.2, r3 =  -2.1, r4 =  -1.1,
	&end

# 129 GLN PHI:  (128 LYS C)-(129 GLN N)-(129 GLN CA)-(129 GLN C) -102.4 -29.5
 &rst     iat =  1961,  1963,  1965,  1978,
	  r1 = -103.4, r2 = -102.4, r3 = -29.5, r4 = -28.5,
	&end

# 130 THR PSI:  (130 THR N)-(130 THR CA)-(130 THR C)-(131 ARG N) -77.7  -1.8
 &rst     iat =  1980,  1982,  1992,  1994,
	  r1 = -78.7, r2 = -77.7, r3 =  -1.8, r4 =  -0.8,
	&end

# 130 THR PHI:  (129 GLN C)-(130 THR N)-(130 THR CA)-(130 THR C) -104.8 -32.0
 &rst     iat =  1978,  1980,  1982,  1992,
	  r1 = -105.8, r2 = -104.8, r3 = -32.0, r4 = -31.0,
	&end

# 132 ASP PSI:  (132 ASP N)-(132 ASP CA)-(132 ASP C)-(133 GLU N) -84.8  -4.2
 &rst     iat =  2018,  2020,  2028,  2030,
	  r1 = -85.8, r2 = -84.8, r3 =  -4.2, r4 =  -3.2,
	&end

# 132 ASP PHI:  (131 ARG C)-(132 ASP N)-(132 ASP CA)-(132 ASP C) -100.9 -27.4
 &rst     iat =  2016,  2018,  2020,  2028,
	  r1 = -101.9, r2 = -100.9, r3 = -27.4, r4 = -26.4,
	&end

# 133 GLU PSI:  (133 GLU N)-(133 GLU CA)-(133 GLU C)-(134 LEU N) -74.8  -4.2
 &rst     iat =  2030,  2032,  2043,  2045,
	  r1 = -75.8, r2 = -74.8, r3 =  -4.2, r4 =  -3.2,
	&end

# 133 GLU PHI:  (132 ASP C)-(133 GLU N)-(133 GLU CA)-(133 GLU C) -102.2 -26.2
 &rst     iat =  2028,  2030,  2032,  2043,
	  r1 = -103.2, r2 = -102.2, r3 = -26.2, r4 = -25.2,
	&end

# 134 LEU PSI:  (134 LEU N)-(134 LEU CA)-(134 LEU C)-(135 GLU N) -77.8  -7.4
 &rst     iat =  2045,  2047,  2062,  2064,
	  r1 = -78.8, r2 = -77.8, r3 =  -7.4, r4 =  -6.4,
	&end

# 134 LEU PHI:  (133 GLU C)-(134 LEU N)-(134 LEU CA)-(134 LEU C) -97.0 -26.6
 &rst     iat =  2043,  2045,  2047,  2062,
	  r1 = -98.0, r2 = -97.0, r3 = -26.6, r4 = -25.6,
	&end

# 135 GLU PSI:  (135 GLU N)-(135 GLU CA)-(135 GLU C)-(136 GLU N) -74.4  -5.7
 &rst     iat =  2064,  2066,  2077,  2079,
	  r1 = -75.4, r2 = -74.4, r3 =  -5.7, r4 =  -4.7,
	&end

# 135 GLU PHI:  (134 LEU C)-(135 GLU N)-(135 GLU CA)-(135 GLU C) -105.4 -30.5
 &rst     iat =  2062,  2064,  2066,  2077,
	  r1 = -106.4, r2 = -105.4, r3 = -30.5, r4 = -29.5,
	&end

# 136 GLU PSI:  (136 GLU N)-(136 GLU CA)-(136 GLU C)-(137 LEU N) -71.6  -3.1
 &rst     iat =  2079,  2081,  2092,  2094,
	  r1 = -72.6, r2 = -71.6, r3 =  -3.1, r4 =  -2.1,
	&end

# 136 GLU PHI:  (135 GLU C)-(136 GLU N)-(136 GLU CA)-(136 GLU C) -98.4 -27.0
 &rst     iat =  2077,  2079,  2081,  2092,
	  r1 = -99.4, r2 = -98.4, r3 = -27.0, r4 = -26.0,
	&end

# 137 LEU PSI:  (137 LEU N)-(137 LEU CA)-(137 LEU C)-(138 LEU N) -78.2  -5.4
 &rst     iat =  2094,  2096,  2111,  2113,
	  r1 = -79.2, r2 = -78.2, r3 =  -5.4, r4 =  -4.4,
	&end

# 137 LEU PHI:  (136 GLU C)-(137 LEU N)-(137 LEU CA)-(137 LEU C) -99.1 -29.4
 &rst     iat =  2092,  2094,  2096,  2111,
	  r1 = -100.1, r2 = -99.1, r3 = -29.4, r4 = -28.4,
	&end

# 138 LEU PSI:  (138 LEU N)-(138 LEU CA)-(138 LEU C)-(139 ARG N) -82.6  -2.6
 &rst     iat =  2113,  2115,  2130,  2132,
	  r1 = -83.6, r2 = -82.6, r3 =  -2.6, r4 =  -1.6,
	&end

# 138 LEU PHI:  (137 LEU C)-(138 LEU N)-(138 LEU CA)-(138 LEU C) -97.0 -27.4
 &rst     iat =  2111,  2113,  2115,  2130,
	  r1 = -98.0, r2 = -97.0, r3 = -27.4, r4 = -26.4,
	&end

# 139 ARG PSI:  (139 ARG N)-(139 ARG CA)-(139 ARG C)-(140 GLN N) -77.2  -5.3
 &rst     iat =  2132,  2134,  2154,  2156,
	  r1 = -78.2, r2 = -77.2, r3 =  -5.3, r4 =  -4.3,
	&end

# 139 ARG PHI:  (138 LEU C)-(139 ARG N)-(139 ARG CA)-(139 ARG C) -103.2 -29.3
 &rst     iat =  2130,  2132,  2134,  2154,
	  r1 = -104.2, r2 = -103.2, r3 = -29.3, r4 = -28.3,
	&end

# 140 GLN PSI:  (140 GLN N)-(140 GLN CA)-(140 GLN C)-(141 LEU N) -80.1   0.2
 &rst     iat =  2156,  2158,  2171,  2173,
	  r1 = -81.1, r2 = -80.1, r3 =   0.2, r4 =   1.2,
	&end

# 140 GLN PHI:  (139 ARG C)-(140 GLN N)-(140 GLN CA)-(140 GLN C) -102.5 -30.4
 &rst     iat =  2154,  2156,  2158,  2171,
	  r1 = -103.5, r2 = -102.5, r3 = -30.4, r4 = -29.4,
	&end

# 141 LEU PSI:  (141 LEU N)-(141 LEU CA)-(141 LEU C)-(142 ALA N) -75.9  -0.1
 &rst     iat =  2173,  2175,  2190,  2192,
	  r1 = -76.9, r2 = -75.9, r3 =  -0.1, r4 =   0.9,
	&end

# 141 LEU PHI:  (140 GLN C)-(141 LEU N)-(141 LEU CA)-(141 LEU C) -99.5 -27.2
 &rst     iat =  2171,  2173,  2175,  2190,
	  r1 = -100.5, r2 = -99.5, r3 = -27.2, r4 = -26.2,
	&end

# 142 ALA PSI:  (142 ALA N)-(142 ALA CA)-(142 ALA C)-(143 LYS N) -80.9  -4.8
 &rst     iat =  2192,  2194,  2200,  2202,
	  r1 = -81.9, r2 = -80.9, r3 =  -4.8, r4 =  -3.8,
	&end

# 142 ALA PHI:  (141 LEU C)-(142 ALA N)-(142 ALA CA)-(142 ALA C) -101.9 -27.5
 &rst     iat =  2190,  2192,  2194,  2200,
	  r1 = -102.9, r2 = -101.9, r3 = -27.5, r4 = -26.5,
	&end

# 143 LYS PSI:  (143 LYS N)-(143 LYS CA)-(143 LYS C)-(144 GLN N) -79.8  -1.3
 &rst     iat =  2202,  2204,  2222,  2224,
	  r1 = -80.8, r2 = -79.8, r3 =  -1.3, r4 =  -0.3,
	&end

# 143 LYS PHI:  (142 ALA C)-(143 LYS N)-(143 LYS CA)-(143 LYS C) -101.1 -30.5
 &rst     iat =  2200,  2202,  2204,  2222,
	  r1 = -102.1, r2 = -101.1, r3 = -30.5, r4 = -29.5,
	&end

# 144 GLN PSI:  (144 GLN N)-(144 GLN CA)-(144 GLN C)-(145 LEU N) -78.8  -4.8
 &rst     iat =  2224,  2226,  2239,  2241,
	  r1 = -79.8, r2 = -78.8, r3 =  -4.8, r4 =  -3.8,
	&end

# 144 GLN PHI:  (143 LYS C)-(144 GLN N)-(144 GLN CA)-(144 GLN C) -103.2 -30.2
 &rst     iat =  2222,  2224,  2226,  2239,
	  r1 = -104.2, r2 = -103.2, r3 = -30.2, r4 = -29.2,
	&end

# 145 LEU PSI:  (145 LEU N)-(145 LEU CA)-(145 LEU C)-(146 LYS N) -77.0  14.1
 &rst     iat =  2241,  2243,  2258,  2260,
	  r1 = -78.0, r2 = -77.0, r3 =  14.1, r4 =  15.1,
	&end

# 145 LEU PHI:  (144 GLN C)-(145 LEU N)-(145 LEU CA)-(145 LEU C) -103.2 -27.9
 &rst     iat =  2239,  2241,  2243,  2258,
	  r1 = -104.2, r2 = -103.2, r3 = -27.9, r4 = -26.9,
	&end

# 147 LYS PSI:  (147 LYS N)-(147 LYS CA)-(147 LYS C)-(148 ASP N) -61.8  34.4
 &rst     iat =  2282,  2284,  2302,  2304,
	  r1 = -62.8, r2 = -61.8, r3 =  34.4, r4 =  35.4,
	&end

# 147 LYS PHI:  (146 LYS C)-(147 LYS N)-(147 LYS CA)-(147 LYS C) -132.2 -36.6
 &rst     iat =  2280,  2282,  2284,  2302,
	  r1 = -133.2, r2 = -132.2, r3 = -36.6, r4 = -35.6,
	&end

#
#   3 ILE  HN     33 ASN  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  33, 502, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
#   3 ILE  N      33 ASN  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  32, 502, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   5 PHE  HN     35 ARG+ O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  71, 542, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   5 PHE  N      35 ARG+ O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  70, 542, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   4 ILE  HN     79 LEU  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  52,1180, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   4 ILE  N      79 LEU  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  51,1180, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   6 VAL  HN     81 LEU  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  91,1215, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   6 VAL  N      81 LEU  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  90,1215, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   2 ASP- O      79 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  31,1163, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   2 ASP- O      79 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  31,1162, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  80 VAL  HN    101 LYS+ O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1182,1552, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  80 VAL  N     101 LYS+ O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1181,1552, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   4 ILE  O      81 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,1198, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   4 ILE  O      81 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  69,1197, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  82 ALA  HN    103 PHE  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1588, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  82 ALA  N     103 PHE  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1216,1588, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  80 VAL  O     103 PHE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1196,1570, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  80 VAL  O     103 PHE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1196,1569, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  82 ALA  O     105 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1225,1604, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  82 ALA  O     105 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1225,1603, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   5 PHE  O      37 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  89, 555, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   5 PHE  O      37 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  89, 554, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   3 ILE  O      35 ARG+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 520, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   3 ILE  O      35 ARG+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 519, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  84 THR  O      88 LYS+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1256,1309, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  84 THR  O      88 LYS+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1256,1308, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  85 HIS  O      89 GLN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1273,1331, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  85 HIS  O      89 GLN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1273,1330, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  86 GLN  O      90 ILE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1348, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  86 GLN  O      90 ILE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1290,1347, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  87 HIS  O      91 ILE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1307,1367, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  87 HIS  O      91 ILE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1307,1366, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  88 LYS+ O      92 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1329,1386, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  88 LYS+ O      92 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1329,1385, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  90 ILE  O      94 GLN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1365,1407, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  90 ILE  O      94 GLN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1365,1406, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  91 ILE  O      95 PHE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1384,1424, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  91 ILE  O      95 PHE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1384,1423, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 104 THR  O     108 TYR  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1602,1660, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 104 THR  O     108 TYR  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1602,1659, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  15 PRO  O      19 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 269, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  15 PRO  O      19 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 268, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  16 MET  O      20 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 279, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  16 MET  O      20 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 278, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  17 ALA  O      21 PHE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 298, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  17 ALA  O      21 PHE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 297, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  18 GLU- O      22 LYS+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 318, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  18 GLU- O      22 LYS+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 317, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  19 ALA  O      23 SER  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 340, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  19 ALA  O      23 SER  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 339, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  20 LEU  O      24 ILE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 351, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  20 LEU  O      24 ILE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 350, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  21 PHE  O      25 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 370, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  21 PHE  O      25 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 369, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  22 LYS+ O      26 GLU- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 380, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  22 LYS+ O      26 GLU- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 379, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  23 SER  O      27 ARG+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 395, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  23 SER  O      27 ARG+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 349, 394, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  24 ILE  O      28 GLU- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 419, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  24 ILE  O      28 GLU- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 418, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  25 ALA  O      29 GLY  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 434, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  25 ALA  O      29 GLY  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 433, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  50 HIS  O      54 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 739, 782, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  50 HIS  O      54 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 739, 781, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  51 ALA  O      55 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 792, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  51 ALA  O      55 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 791, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  52 VAL  O      56 PHE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 811, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  52 VAL  O      56 PHE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 765, 810, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  53 GLU- O      57 GLU- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 780, 831, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  53 GLU- O      57 GLU- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 780, 830, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  54 ALA  O      58 LYS+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 790, 846, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  54 ALA  O      58 LYS+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 790, 845, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  87 HIS  O      91 ILE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1307,1367, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  87 HIS  O      91 ILE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1307,1366, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  87 HIS  O      91 ILE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1307,1367, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  87 HIS  O      91 ILE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1307,1366, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  88 LYS+ O      92 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1329,1386, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  88 LYS+ O      92 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1329,1385, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  90 ILE  O      94 GLN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1365,1407, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  90 ILE  O      94 GLN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1365,1406, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 133 GLU- O     137 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=2044,2095, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 133 GLU- O     137 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=2044,2094, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  71 GLU- O      75 GLU- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1115, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  71 GLU- O      75 GLU- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1114, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  72 GLU- O      76 SER  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1130, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  72 GLU- O      76 SER  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1129, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  73 LEU  O      77 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1096,1141, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  73 LEU  O      77 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1096,1140, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 134 LEU  O     138 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=2063,2114, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 134 LEU  O     138 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=2063,2113, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 135 GLU- O     139 ARG+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=2078,2133, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 135 GLU- O     139 ARG+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=2078,2132, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 137 LEU  O     141 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=2112,2174, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 137 LEU  O     141 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=2112,2173, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 140 GLN  O     144 GLN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2225, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 140 GLN  O     144 GLN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=2172,2224, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 101  LYS+ HA  101  LYS+  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1534,1532, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
# 101  LYS+ HA  102  VAL  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1534,1554, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 101  LYS+ QB 102  VAL  HN     4.7
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1554, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1536,1537,
 &end
#
# 102  VAL  HA  102  VAL  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1556,1554, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 102  VAL  HA  103  PHE  HN     2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1556,1570, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 102  VAL  HB  103  PHE  HN     4.7
 &rst
  ixpk= 0, nxpk= 0, iat=1558,1570, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 102  VAL  HN  103  PHE  HN     4.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1554,1570, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 103  PHE  HA  103  PHE  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1572,1570, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 103  PHE  HA  104  THR  HN     2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1572,1590, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 103  PHE  HN  104  THR  HN     4.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1570,1590, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 103  PHE  QB  104  THR  HN     4.7
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1590, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1574,1575,
 &end
#
# 104  THR  HA  104  THR  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1592,1590, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 104  THR  HA  105  LEU  HN     2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1592,1604, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 104  THR  HB  105  LEU  HN     4.7
 &rst
  ixpk= 0, nxpk= 0, iat=1594,1604, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 104  THR  HN  105  LEU  HN     4.63 
 &rst
  ixpk= 0, nxpk= 0, iat=1590,1604, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 105  LEU  HA  105  LEU  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1606,1604, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 124 ILE  HA  124 ILE  HN  2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1873,1871, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 124 ILE  HA  125 ASP- HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1873,1890, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 124 ILE  HA  126 ILE  HN  4.4
 &rst
  ixpk= 0, nxpk= 0, iat=1873,1902, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 124 ILE  HA  127 TYR  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1873,1921, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 124 ILE  HA  128 LYS+ HN  4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1873,1942, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 124 ILE  HB 125 ASP- HN 4.1
 &rst
  ixpk= 0, nxpk= 0, iat=1875,1890, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 124 ILE  HN  125 ASP- HN  2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1871,1890, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 124 ILE  HN  126 ILE  HN  4.3
 &rst
  ixpk= 0, nxpk= 0, iat=1871,1902, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 125 ASP- HA  125 ASP- HN  2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1892,1890, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 125 ASP- HA  126 ILE  HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1892,1902, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 125 ASP- HA  127 TYR  HN  4.4
 &rst
  ixpk= 0, nxpk= 0, iat=1892,1921, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 125 ASP- HA  128 LYS+ HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1892,1942, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 125 ASP- HA  129 GLN  HN  4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1892,1964, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 125 ASP- HN  126 ILE  HN  2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1890,1902, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 125 ASP- HN  127 TYR  HN  4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1890,1921, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 125 ASP- QB 126 ILE  HN 3.1
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr1=1894,1895,
 &end
#
# 126 ILE  HA  126 ILE  HN  2.9  
 &rst
  ixpk= 0, nxpk= 0, iat=1904,1902, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 126 ILE  HA  127 TYR  HN  3.5  
 &rst
  ixpk= 0, nxpk= 0, iat=1904,1921, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 126 ILE  HA  128 LYS+ HN  4.4  
 &rst
  ixpk= 0, nxpk= 0, iat=1904,1942, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 126 ILE  HA  129 GLN  HN  3.5  
 &rst
  ixpk= 0, nxpk= 0, iat=1904,1964, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 126 ILE  HA  130 THR  HN  4.2   
 &rst
  ixpk= 0, nxpk= 0, iat=1904,1981, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 126 ILE  HB 127 TYR  HN 3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1906,1921, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 126 ILE  HN  127 TYR  HN  2.8  
 &rst
  ixpk= 0, nxpk= 0, iat=1902,1921, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 126 ILE  HN  128 LYS+ HN  4.2  
 &rst
  ixpk= 0, nxpk= 0, iat=1902,1942, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 127 TYR  HA  127 TYR  HN  2.8   
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1921, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 127 TYR  HA  128 LYS+ HN  3.5   
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1942, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 127 TYR  HA  129 GLN  HN  4.4   
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1964, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 127 TYR  HA  130 THR  HN  3.5   
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1981, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 127 TYR  HA  131 ARG+ HN  4.2   
 &rst
  ixpk= 0, nxpk= 0, iat=1923,1995, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 127 TYR  HN  128 LYS+ HN  2.8   
 &rst
  ixpk= 0, nxpk= 0, iat=1921,1942, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 127 TYR  HN  129 GLN  HN  4.2   
 &rst
  ixpk= 0, nxpk= 0, iat=1921,1964, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 128 LYS+ HA  128 LYS+ HN  2.8  
 &rst
  ixpk= 0, nxpk= 0, iat=1944,1942, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 128 LYS+ HA  129 GLN  HN  3.5  
 &rst
  ixpk= 0, nxpk= 0, iat=1944,1964, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 128 LYS+ HA  130 THR  HN  4.4  
 &rst
  ixpk= 0, nxpk= 0, iat=1944,1981, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 128 LYS+ HA  131 ARG+ HN  3.5  
 &rst
  ixpk= 0, nxpk= 0, iat=1944,1995, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 128 LYS+ HA  132 ASP- HN  4.2   
 &rst
  ixpk= 0, nxpk= 0, iat=1944,2019, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 128 LYS+ HN  129 GLN  HN  2.8  
 &rst
  ixpk= 0, nxpk= 0, iat=1942,1964, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 128 LYS+ HN  130 THR  HN  4.2  
 &rst
  ixpk= 0, nxpk= 0, iat=1942,1981, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 129 GLN  HA  129 GLN  HN  2.8  
 &rst
  ixpk= 0, nxpk= 0, iat=1966,1964, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 129 GLN  HA  130 THR  HN  3.5  
 &rst
  ixpk= 0, nxpk= 0, iat=1966,1981, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 129 GLN  HA  131 ARG+ HN  4.5  
 &rst
  ixpk= 0, nxpk= 0, iat=1966,1995, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 129 GLN  HA  132 ASP- HN  3.7  
 &rst
  ixpk= 0, nxpk= 0, iat=1966,2019, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 129 GLN  HN  130 THR  HN  2.8  
 &rst
  ixpk= 0, nxpk= 0, iat=1964,1981, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 129 GLN  HN  131 ARG+ HN  4.2  
 &rst
  ixpk= 0, nxpk= 0, iat=1964,1995, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 129 GLN  QB 130 THR  HN 3.1
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1981, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr1=1968,1969,
 &end
#
# 130 THR  HA  130 THR  HN  2.8  
 &rst
  ixpk= 0, nxpk= 0, iat=1983,1981, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 130 THR  HA  131 ARG+ HN  3.5  
 &rst
  ixpk= 0, nxpk= 0, iat=1983,1995, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 130 THR  HA  132 ASP- HN  4.4  
 &rst
  ixpk= 0, nxpk= 0, iat=1983,2019, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 130 THR  HA  133 GLU- HN  3.5   
 &rst
  ixpk= 0, nxpk= 0, iat=1983,2031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 130 THR  HA  134 LEU  HN  4.2  
 &rst
  ixpk= 0, nxpk= 0, iat=1983,2046, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 130 THR  HN  131 ARG+ HN  2.8  
 &rst
  ixpk= 0, nxpk= 0, iat=1981,1995, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 130 THR  HN  132 ASP- HN  4.2  
 &rst
  ixpk= 0, nxpk= 0, iat=1981,2019, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 130  THR  QG2  131  ARG+  QB  4.5  (#)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1987,1988,1989,
 igr2=1999,2000,
 &end
#
# 130  THR  QG2  131  ARG+  QG  5.5  (#)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1987,1988,1989,
 igr2=2002,2003,
 &end
#
# 131 ARG+ HA  131 ARG+ HN  2.8  
 &rst
  ixpk= 0, nxpk= 0, iat=1997,1995, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 131 ARG+ HA  132 ASP- HN  3.5  
 &rst
  ixpk= 0, nxpk= 0, iat=1997,2019, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 131 ARG+ HA  133 GLU- HN  4.4  
 &rst
  ixpk= 0, nxpk= 0, iat=1997,2031, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 131 ARG+ HA  134 LEU  HN  3.5  
 &rst
  ixpk= 0, nxpk= 0, iat=1997,2046, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 131 ARG+ HA  135 GLU- HN  4.2  
 &rst
  ixpk= 0, nxpk= 0, iat=1997,2065, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 131 ARG+ HN  132 ASP- HN  2.8  
 &rst
  ixpk= 0, nxpk= 0, iat=1995,2019, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 131 ARG+ HN  133 GLU- HN  4.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1995,2031, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 132 ASP- HA  132 ASP- HN  2.8  
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2019, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 132 ASP- HA  133 GLU- HN  3.5  
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2031, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 132 ASP- HA  134 LEU  HN  4.6
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2046, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 132 ASP- HA  135 GLU- HN  3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2065, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 132 ASP- HA  136 GLU- HN  4.4 
 &rst
  ixpk= 0, nxpk= 0, iat=2021,2080, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 132 ASP- HN  133 GLU- HN  2.8  
 &rst
  ixpk= 0, nxpk= 0, iat=2019,2031, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 132 ASP- HN  134 LEU  HN  4.2
 &rst
  ixpk= 0, nxpk= 0, iat=2019,2046, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 132 ASP- QB 133 GLU- HN 3.1
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2031, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr1=2023,2024,
 &end
#
# 133  GLU- HA  133  GLU-  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2033,2031, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 133  GLU- HA  134  LEU  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2033,2046, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 133  GLU- HA  135  GLU-  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=2033,2065, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 133  GLU- HA  136  GLU-  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2033,2080, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 133  GLU- HA  137  LEU  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=2033,2095, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 133  GLU- HN  134  LEU  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2031,2046, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 133  GLU- HN  135  GLU-  HN    4.2
 &rst
  ixpk= 0, nxpk= 0, iat=2031,2065, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 133  GLU- QB 134  LEU  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2046, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2035,2036,
 &end
#
# 134  LEU  HA  134  LEU  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2048,2046, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 134  LEU  HA  135  GLU-  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2048,2065, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 134  LEU  HA  136  GLU-  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=2048,2080, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 134  LEU  HA  137  LEU  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2048,2095, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 134  LEU  HA  138  LEU  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=2048,2114, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 134  LEU  HN  135  GLU-  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2046,2065, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 134  LEU  HN  136  GLU-  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=2046,2080, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 134  LEU  QB 135  GLU-  HN    3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2065, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2050,2051,
 &end
#
# 135  GLU- HA  135  GLU-  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2067,2065, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 135  GLU- HA  136  GLU-  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2067,2080, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 135  GLU- HA  137  LEU  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=2067,2095, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 135  GLU- HA  138  LEU  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2067,2114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 135  GLU- HA  139  ARG+  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=2067,2133, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 135  GLU- HN  136  GLU-  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2080, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 135  GLU- HN  137  LEU  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=2065,2095, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 136  GLU- HA  136  GLU-  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2082,2080, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 136  GLU- HA  137  LEU  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2082,2095, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 136  GLU- HA  138  LEU  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=2082,2114, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 136  GLU- HA  139  ARG+  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2082,2133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 136  GLU- HA  140  GLN  HN     4.6
 &rst
  ixpk= 0, nxpk= 0, iat=2082,2157, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 136  GLU- HN  137  LEU  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2080,2095, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 136  GLU- HN  138  LEU  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=2080,2114, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 136  GLU- QB  137  LEU  HN     3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2095, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2084,2085,
 &end
#
# 137  LEU  HA  137  LEU  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2097,2095, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 137  LEU  HA  138  LEU  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2097,2114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 137  LEU  HA  139  ARG+  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=2097,2133, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 137  LEU  HA  140  GLN  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2097,2157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 137  LEU  HA  141  LEU  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=2097,2174, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 137  LEU  HN  138  LEU  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2095,2114, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 137  LEU  HN  139  ARG+  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=2095,2133, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 137  LEU  QB 138  LEU  HN     3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2114, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2099,2100,
 &end
#
# 138  LEU  HA  138  LEU  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2116,2114, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 138  LEU  HA  139  ARG+  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2116,2133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 138  LEU  HA  140  GLN  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=2116,2157, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 138  LEU  HA  141  LEU  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2116,2174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 138  LEU  HA  142  ALA  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=2116,2193, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 138  LEU  HN  139  ARG+  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2114,2133, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 138  LEU  HN  140  GLN  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=2114,2157, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 139  ARG+ HA  139  ARG+  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2135,2133, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 139  ARG+ HA  140  GLN  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2135,2157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 139  ARG+ HA  141  LEU  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=2135,2174, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 139  ARG+ HA  142  ALA  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2135,2193, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 139  ARG+ HA  143  LYS+  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=2135,2203, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 139  ARG+ HN  140  GLN  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2133,2157, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 139  ARG+ HN  141  LEU  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=2133,2174, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 139  ARG+ QB 140  GLN  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2137,2138,
 &end
#
# 140  GLN  HA  140  GLN  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2159,2157, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 140  GLN  HA  141  LEU  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2159,2174, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 140  GLN  HA  142  ALA  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=2159,2193, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 140  GLN  HA  143  LYS+  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2159,2203, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 140  GLN  HA  144  GLN  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=2159,2225, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 140  GLN  HN  141  LEU  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2157,2174, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 140  GLN  HN  142  ALA  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=2157,2193, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 140  GLN  QB 141  LEU  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2174, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2161,2162,
 &end
#
# 141  LEU  HA  141  LEU  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2176,2174, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 141  LEU  HA  142  ALA  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2176,2193, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 141  LEU  HA  143  LYS+  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=2176,2203, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 141  LEU  HA  144  GLN  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2176,2225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 141  LEU  HN  142  ALA  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2174,2193, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 141  LEU  HN  143  LYS+  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=2174,2203, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 141  LEU  QB 142  ALA  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2178,2179,
 &end
#
# 142  ALA  HA  142  ALA  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2195,2193, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 142  ALA  HA  143  LYS+  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2195,2203, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 142  ALA  HA  144  GLN  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=2195,2225, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 142  ALA  HN  143  LYS+  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2193,2203, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 142  ALA  HN  144  GLN  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=2193,2225, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 142  ALA  QB  143  LYS+  HN     3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2203, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2197,2198,2199,
 &end
#
# 143  LYS+ HA  143  LYS+  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2205,2203, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 143  LYS+ HA  144  GLN  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=2205,2225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 143  LYS+ HN  144  GLN  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2203,2225, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 143  LYS+ QB 144  GLN  HN     3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,2225, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2207,2208,
 &end
#
# 144  GLN  HA  144  GLN  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=2227,2225, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 16  MET  HA  16  MET  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 227, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 16  MET  HA  17  ALA  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 16  MET  HA  18  GLU-  HN     4.6
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 254, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 16  MET  HA  19  ALA  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 269, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 16  MET  HA  20  LEU  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 279, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 16  MET  HN  17  ALA  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 244, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 16  MET  HN  18  GLU-  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 227, 254, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 16  MET  QB 17  ALA  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 231, 232,
 &end
#
# 17  ALA  HA  17  ALA  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 244, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 17  ALA  HA  18  GLU-  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 254, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 17  ALA  HA  19  ALA  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 269, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 17  ALA  HA  20  LEU  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 279, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 17  ALA  HA  21  PHE  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 298, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 17  ALA  HN  18  GLU-  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 254, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 17  ALA  HN  19  ALA  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 269, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 17  ALA  QB  18  GLU-  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 248, 249, 250,
 &end
#
# 18  GLU- HA  18  GLU-  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 254, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 18  GLU- HA  19  ALA  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 269, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 18  GLU- HA  20  LEU  HN     4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 279, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 18  GLU- HA  21  PHE  HN     3.6
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 298, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 18  GLU- HA  22  LYS+  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 318, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 18  GLU- HN  19  ALA  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 269, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 18  GLU- HN  20  LEU  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 279, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 18 GLU- QB     5  PHE  QD    5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 258, 259,
 igr2=  79,  87,
 &end
#
# 19  ALA  HA  19  ALA  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 269, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 19  ALA  HA  20  LEU  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 279, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 19  ALA  HA  21  PHE  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 298, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 19  ALA  HA  22  LYS+  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 19  ALA  HA  23  SER  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 340, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 19  ALA  HN  20  LEU  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 279, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 19  ALA  HN  21  PHE  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 298, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 19  ALA  QB  20  LEU  HN     3.5  
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 279, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 273, 274, 275,
 &end
#
# 20  LEU  HA  20  LEU  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 279, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 20  LEU  HA  21  PHE  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 298, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 20  LEU  HA  22  LYS+  HN     4.5
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 20  LEU  HA  23  SER  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 340, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 20  LEU  HA  24  ILE  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 351, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 20  LEU  HN  21  PHE  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 298, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 20  LEU  HN  22  LYS+  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 318, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 20  LEU  QB  21  PHE  HN     3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 283, 284,
 &end
#
# 21  PHE  HA  21  PHE  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 298, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 21  PHE  HA  22  LYS+  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 318, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 21  PHE  HA  23  SER  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 340, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 21  PHE  HA  24  ILE  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 21  PHE  HA  25  ALA  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 370, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 21  PHE  HN  22  LYS+  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 318, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 21  PHE  HN  23  SER  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 340, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 21  PHE  QB  22  LYS+  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 302, 303,
 &end
#
# 21 PHE  QD  25 ALA  QB     4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 306, 314,
 igr2= 374, 375, 376,
 &end
#
# 21 PHE  QE  25 ALA  QB     4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 308, 312,
 igr2= 374, 375, 376,
 &end
#
# 22  LYS+ HA  22  LYS+  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 318, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 22  LYS+ HA  23  SER  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 340, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 22  LYS+ HA  24  ILE  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 351, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 22  LYS+ HA  25  ALA  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 370, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 22  LYS+ HA  26  GLU-  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 380, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 22  LYS+ HN  23  SER  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 340, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 22  LYS+ HN  24  ILE  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 351, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 23  SER  HA  23  SER  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 340, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 23  SER  HA  24  ILE  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 23  SER  HA  25  ALA  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 370, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 23  SER  HA  26  GLU-  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 380, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 23  SER  HA  27  ARG+  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 395, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 23  SER  HN  24  ILE  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 351, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 23  SER  HN  25  ALA  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 370, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 23  SER  QB  24  ILE  HN     3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 344, 345,
 &end
#
# 24  ILE  HA  24  ILE  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 351, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 24  ILE  HA  25  ALA  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 370, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 24  ILE  HA  26  GLU-  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 380, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 24  ILE  HA  27  ARG+  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 395, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 24  ILE  HA  28  GLU-  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 419, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 24  ILE  HB  25  ALA  HN     3.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 370, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 24  ILE  HN  25  ALA  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 370, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 24  ILE  HN  26  GLU-  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 380, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 25  ALA  HA  25  ALA  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 370, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 25  ALA  HA  26  GLU-  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 380, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 25  ALA  HA  27  ARG+  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 395, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 25  ALA  HA  28  GLU-  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 419, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 25  ALA  HA  29  GLY  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 434, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 25  ALA  HN  26  GLU-  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 380, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 25  ALA  HN  27  ARG+  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 395, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 25  ALA  QB  26  GLU-  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 374, 375, 376,
 &end
#
# 26  GLU- HA  26  GLU-  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 380, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 26  GLU- HA  27  ARG+  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 395, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 26  GLU- HA  28  GLU-  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 419, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 26  GLU- HA  29  GLY  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 434, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 26  GLU- HA  30  LEU  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 441, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 26  GLU- HN  27  ARG+  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 395, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 26  GLU- HN  28  GLU-  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 419, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 26  GLU- QB  27  ARG+  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 384, 385,
 &end
#
# 27  ARG+ HA  27  ARG+  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 395, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 27  ARG+ HA  28  GLU-  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 419, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 27  ARG+ HA  29  GLY  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 434, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 27  ARG+ HN  28  GLU-  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 419, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 27  ARG+ HN  29  GLY  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 434, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 27  ARG+ QB  28  GLU-  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 399, 400,
 &end
#
# 28  GLU- HN  29  GLY  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 434, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 28  GLU- HN  30  LEU  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 441, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 28  GLU- QB  29  GLY  HN     3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 423, 424,
 &end
#
# 29  GLY  HN  30  LEU  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 434, 441, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 2  ASP- HA  2  ASP-  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  21, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 2  ASP- HA  33  ASN  HN     3.1
 &rst
  ixpk= 0, nxpk= 0, iat=  23, 490, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 2  ASP- HA  3  ILE  HN     2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  33, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 2  ASP- HN  3  ILE  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  33, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 2  ASP- HN  79  LEU  HN     4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  21,1163, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 2  ASP- QB 3  ILE  HN     4.7 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=  25,  26,
 &end
#
# 33  ASN  HA  33  ASN  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 490, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 33  ASN  HA  34  VAL  HN     2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 492, 504, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 33  ASN  HN  34  VAL  HN     4.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 504, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 33  ASN  HN  3  ILE  HN     4.1
 &rst
  ixpk= 0, nxpk= 0, iat= 490,  33, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 33  ASN  QB  34  VAL  HN     4.7 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 494, 495,
 &end
#
# 34  VAL  HA  2  ASP-  HA     4.8
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  23, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 34  VAL  HA  34  VAL  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 504, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 34  VAL  HA  35  ARG+  HN     2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 520, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 34  VAL  HA  4  ILE  HA     4.8
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  54, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 34  VAL  HB  35  ARG+  HN     4.7 
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 520, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 34  VAL  HN  35  ARG+  HN     4.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 520, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 35  ARG+ HA  35  ARG+  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 520, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 35  ARG+ HA  36  SER  HN     2.4
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 544, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
# 35  ARG+ HN  3  ILE  HN     4.1
 &rst
  ixpk= 0, nxpk= 0, iat= 520,  33, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 35  ARG+ HN  5  PHE  HN     4.1
 &rst
  ixpk= 0, nxpk= 0, iat= 520,  71, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 36  SER  HA  36  SER  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 544, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 36  SER  HA  37  ALA  HN     2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 555, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 36  SER  HA  4  ILE  HA     4.8
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  54, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 36  SER  HA  6  VAL  HA     4.8
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  93, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 37  ALA  HA  37  ALA  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 555, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 37  ALA  HA  38  GLY  HN     2.5
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 565, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 37  ALA  HN  38  GLY  HN     4.3
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 565, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 37  ALA  QB  38  GLY  HN     4.7 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 559, 560, 561,
 &end
#
# 38  GLY  HA2  38  GLY  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat= 567, 565, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 38  GLY  HA2  6  VAL  HA     4.8
 &rst
  ixpk= 0, nxpk= 0, iat= 567,  93, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 3  ILE  HA  3  ILE  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat=  35,  33, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 3  ILE  HA  4  ILE  HN     2.5
 &rst
  ixpk= 0, nxpk= 0, iat=  35,  52, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
# 3  ILE  HA  78  ASP-  HA     6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  35,1153, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 3  ILE  HA  79  LEU  HN     3.1
 &rst
  ixpk= 0, nxpk= 0, iat=  35,1163, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 3  ILE  HA  80  VAL  HA     4.8
 &rst
  ixpk= 0, nxpk= 0, iat=  35,1184, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 3  ILE  HB  4  ILE  HN     4.7 
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  52, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 3  ILE  HB    79 LEU HB2      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  37,1167, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  ILE  HN  34  VAL  HA     3.1
 &rst
  ixpk= 0, nxpk= 0, iat=  33, 506, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 3  ILE  HN  4  ILE  HN     4.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  33,  52, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 3  ILE  QD1    21 PHE  HB2     5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  46,  47,  48,
 &end
#
# 3  ILE  QD1    21 PHE  QD    3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  46,  47,  48,
 igr2= 306, 314,
 &end
#
# 3  ILE  QD1    21 PHE  QE    3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  46,  47,  48,
 igr2= 308, 312,
 &end
#
# 3  ILE  QD1     34 VAL  QG2     4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  46,  47,  48,
 igr2= 514, 515, 516,
 &end
#
# 3  ILE  QD1     5 PHE  QE     4.1
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=  46,  47,  48,
 igr2=  81,  85,
 &end
#
# 3  ILE  QD1    79 LEU QD1       5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  46,  47,  48,
 igr2=1172,1173,1174,
 &end
#
# 3  ILE  QD1    79 LEU QD2       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  46,  47,  48,
 igr2=1176,1177,1178,
 &end
#
# 3  ILE  QG1   79 LEU HG       4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  43,  44,
 &end
#
# 4  ILE  HA  35  ARG+  HN     3.1
 &rst
  ixpk= 0, nxpk= 0, iat=  54, 520, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 4  ILE  HA  4  ILE  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  52, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 4  ILE  HA  5  PHE  HN     2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  71, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 4  ILE  HB  5  PHE  HN     4.7
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  71, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 4  ILE  HN  5  PHE  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  71, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 4  ILE  HN  79  LEU  HN     4.1
 &rst
  ixpk= 0, nxpk= 0, iat=  52,1163, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 4  ILE  HN  80  VAL  HA     3.1
 &rst
  ixpk= 0, nxpk= 0, iat=  52,1184, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 4  ILE  HN  81  LEU  HN     4.1
 &rst
  ixpk= 0, nxpk= 0, iat=  52,1198, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 50  HIS  HA  50  HIS  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 724, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 50  HIS  HA  51  ALA  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 741, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 50  HIS  HA  52  VAL  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 751, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 50  HIS  HA  53  GLU-  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 767, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 50  HIS  HA  54  ALA  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 782, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 50  HIS  HN  51  ALA  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 741, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 50  HIS  HN  52  VAL  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 751, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 50  HIS  QB 51  ALA  HN     3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 728, 729,
 &end
#
# 51  ALA  HA  51  ALA  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 741, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 51  ALA  HA  52  VAL  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 751, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 51  ALA  HA  53  GLU-  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 767, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 51  ALA  HA  54  ALA  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 782, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 51  ALA  HA  55  LEU  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 743, 792, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 51  ALA  HN  52  VAL  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 751, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 51  ALA  HN  53  GLU-  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 741, 767, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 51  ALA  QB  52  VAL  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 751, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 745, 746, 747,
 &end
#
# 52  VAL  HA  52  VAL  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 753, 751, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 52  VAL  HA  53  GLU-  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 753, 767, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 52  VAL  HA  54  ALA  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat= 753, 782, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 52  VAL  HA  55  LEU  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 753, 792, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 52  VAL  HA  56  PHE  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 753, 811, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 52  VAL  HB  53  GLU-  HN     3.6
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 767, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 52  VAL  HN  53  GLU-  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 767, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 52  VAL  HN  54  ALA  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 782, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 53  GLU- HA  53  GLU-  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 767, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 53  GLU- HA  54  ALA  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 782, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 53  GLU- HA  55  LEU  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 792, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 53  GLU- HA  56  PHE  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 811, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 53  GLU- HA  57  GLU-  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 831, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 53  GLU- HN  54  ALA  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 782, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 53  GLU- HN  55  LEU  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 767, 792, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 53  GLU- QB 54  ALA  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 771, 772,
 &end
#
# 54  ALA  HA  54  ALA  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 782, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 54  ALA  HA  55  LEU  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 792, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 54  ALA  HA  56  PHE  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 811, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 54  ALA  HA  57  GLU-  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 54  ALA  HA  58  LYS+  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 846, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 54  ALA  HN  55  LEU  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 792, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 54  ALA  HN  56  PHE  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 782, 811, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 54  ALA  QB  55  LEU  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 792, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 786, 787, 788,
 &end
#
# 55  LEU  HA  55  LEU  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat= 794, 792, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 55  LEU  HA  56  PHE  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 794, 811, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 55  LEU  HA  57  GLU-  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat= 794, 831, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 55  LEU  HA  58  LYS+  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat= 794, 846, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 55  LEU  HA  59  HIS  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 794, 868, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 55  LEU  HN  56  PHE  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 811, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 55  LEU  HN  57  GLU-  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 792, 831, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 55  LEU  QB  56  PHE  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 796, 797,
 &end
#
# 56  PHE  HN  57  GLU-  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 831, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 56  PHE  HN  58  LYS+  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 811, 846, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 56  PHE  QB  57  GLU-  HN    3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 815, 816,
 &end
#
# 57  GLU- HN  58  LYS+  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 831, 846, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 57  GLU- HN  59  HIS  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 831, 868, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 57  GLU- QB 58  LYS+  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 835, 836,
 &end
#
# 58  LYS+ HN  59  HIS  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 846, 868, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 58  LYS+ QB 59  HIS  HN     3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 850, 851,
 &end
#
# 5  PHE  HA  5  PHE  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  71, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 5  PHE  HA  6  VAL  HN     2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  91, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 5  PHE  HA  80  VAL  HA     4.8
 &rst
  ixpk= 0, nxpk= 0, iat=  73,1184, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 5  PHE  HA  81  LEU  HN     3.1
 &rst
  ixpk= 0, nxpk= 0, iat=  73,1198, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 5  PHE  HA  82  ALA  HA     4.8
 &rst
  ixpk= 0, nxpk= 0, iat=  73,1219, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 5  PHE  HN  36  SER  HA     3.1
 &rst
  ixpk= 0, nxpk= 0, iat=  71, 546, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 5  PHE  HN  6  VAL  HN     4.5
 &rst
  ixpk= 0, nxpk= 0, iat=  71,  91, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 5  PHE  QB  6  VAL  HN     4.7
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=  75,  76,
 &end
#
# 6  VAL  HA  37  ALA  HN     3.1
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 555, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 6  VAL  HA  6  VAL  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  91, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 6  VAL  HA  7  CYS  HN     2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 107, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 6  VAL  HN  7  CYS  HN     4.3
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 107, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 6  VAL  HN  81  LEU  HN     4.1
 &rst
  ixpk= 0, nxpk= 0, iat=  91,1198, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 6  VAL  HN  82  ALA  HA     3.1
 &rst
  ixpk= 0, nxpk= 0, iat=  91,1219, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 6  VAL  HN  83  MET  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=  91,1227, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 71  GLU- HA  71  GLU-  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1051,1049, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 71  GLU- HA  72  GLU-  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1051,1064, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 71  GLU- HA  73  LEU  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=1051,1079, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 71  GLU- HA  74  MET  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1051,1098, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 71  GLU- HA  75  GLU-  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1051,1115, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 71  GLU- HN  72  GLU-  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1064, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 71  GLU- HN  73  LEU  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1079, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 71  GLU- QB 72  GLU-  HN     3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1053,1054,
 &end
#
# 72  GLU- HA  72  GLU-  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1064, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 72  GLU- HA  73  LEU  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1079, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 72  GLU- HA  74  MET  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1098, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 72  GLU- HA  75  GLU-  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 72  GLU- HA  76  SER  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1066,1130, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 72  GLU- HN  73  LEU  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1064,1079, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 72  GLU- HN  74  MET  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1064,1098, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 72  GLU- QB 73  LEU  HN     3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1068,1069,
 &end
#
# 73  LEU  HA  73  LEU  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1079, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 73  LEU  HA  74  MET  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1098, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 73  LEU  HA  75  GLU-  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1115, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 73  LEU  HA  76  SER  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1130, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 73  LEU  HA  77  ALA  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1081,1141, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 73  LEU  HN  74  MET  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1098, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 73  LEU  HN  75  GLU-  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1079,1115, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 73  LEU  QB  74  MET  HN     3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1083,1084,
 &end
#
# 74  MET  HA  74  MET  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1098, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 74  MET  HA  75  GLU-  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 74  MET  HA  76  SER  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=1100,1130, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 74  MET  HN  75  GLU-  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1098,1115, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 74  MET  HN  76  SER  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1098,1130, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 74  MET  QB 75  GLU-  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1102,1103,
 &end
#
# 75  GLU- HN  76  SER  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1130, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 75  GLU- HN  77  ALA  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1141, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 75  GLU- QB 76  SER  HN     3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1119,1120,
 &end
#
# 78  ASP- HA  78  ASP-  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1151, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 78  ASP- HA  79  LEU  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1153,1163, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 78  ASP- QB 79  LEU  HN     4.7 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1155,1156,
 &end
#
# 79  LEU  HA  101  LYS+  HN     6.5
 &rst
  ixpk= 0, nxpk= 0, iat=1165,1532, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 79  LEU  HA  102  VAL  HA     4.8
 &rst
  ixpk= 0, nxpk= 0, iat=1165,1556, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 79  LEU  HA  79  LEU  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1165,1163, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 79  LEU  HA  80  VAL  HN     2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1165,1182, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 79  LEU  HN  80  VAL  HN     4.3
 &rst
  ixpk= 0, nxpk= 0, iat=1163,1182, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 80  VAL  HA  80  VAL  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1184,1182, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 80  VAL  HA  81  LEU  HN     2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1184,1198, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 80  VAL  HB  81  LEU  HN     4.7
 &rst
  ixpk= 0, nxpk= 0, iat=1186,1198, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 80  VAL  HN  102  VAL  HA     3.1
 &rst
  ixpk= 0, nxpk= 0, iat=1182,1556, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 80  VAL  HN  103  PHE  HN     4.1
 &rst
  ixpk= 0, nxpk= 0, iat=1182,1570, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 80  VAL  HN  81  LEU  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=1182,1198, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 81  LEU  HA  102  VAL  HA     4.8
 &rst
  ixpk= 0, nxpk= 0, iat=1200,1556, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 81  LEU  HA  103  PHE  HN     3.1
 &rst
  ixpk= 0, nxpk= 0, iat=1200,1570, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 81  LEU  HA  104  THR  HA     4.8
 &rst
  ixpk= 0, nxpk= 0, iat=1200,1592, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 81  LEU  HA  81  LEU  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1200,1198, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 81  LEU  HA  82  ALA  HN     2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1200,1217, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 81  LEU  QB  82  ALA  HN     4.7
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1217, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=1202,1203,
 &end
#
# 82  ALA  HA  82  ALA  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1217, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 82  ALA  HA  83  MET  HN     2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1227, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 82  ALA  HN  103  PHE  HN     4.1
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1570, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 82  ALA  HN  104  THR  HA     3.1
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1592, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
# 82  ALA  HN  105  LEU  HN     4.1
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1604, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 82  ALA  HN  83  MET  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1227, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 83  MET  HA  104  THR  HA     4.9
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1592, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 83  MET  HA  105  LEU  HN     4.5
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1604, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 83  MET  HA  83  MET  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1229,1227, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 84  THR  HA  84  THR  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1244, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 84  THR  HA  85  HIS  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1258, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 84  THR  HA  86  GLN  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=1246,1275, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 84  THR  HB  85  HIS  HN    3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1248,1258, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 85  HIS  HA  85  HIS  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1258, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 85  HIS  HA  86  GLN  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1275, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 85  HIS  HA  87  HIS  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1292, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 85  HIS  HA  88  LYS+  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 85  HIS  HA  89  GLN  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1260,1331, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 85  HIS  HN  86  GLN  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1275, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 85  HIS  HN  87  HIS  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1258,1292, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 85  HIS  QB 86  GLN  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1262,1263,
 &end
#
# 86  GLN  HA  86  GLN  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1277,1275, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 86  GLN  HA  87  HIS  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1277,1292, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 86  GLN  HA  88  LYS+  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=1277,1309, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 86  GLN  HA  89  GLN  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1277,1331, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 86  GLN  HA  90  ILE  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1277,1348, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 86  GLN  HN  87  HIS  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1275,1292, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 86  GLN  HN  88  LYS+  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1275,1309, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 86  GLN  QB 87  HIS  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1292, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1279,1280,
 &end
#
# 87  HIS  HA  87  HIS  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1292, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 87  HIS  HA  88  LYS+  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 87  HIS  HA  89  GLN  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1331, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 87  HIS  HA  90  ILE  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1348, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 87  HIS  HA  91  ILE  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1294,1367, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 87  HIS  HN  88  LYS+  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1292,1309, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 87  HIS  HN  89  GLN  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1292,1331, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 87  HIS  QB  88  LYS+  HN     3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1296,1297,
 &end
#
# 88  LYS+ HA  88  LYS+  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1309, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 88  LYS+ HA  89  GLN  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1331, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 88  LYS+ HA  90  ILE  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1348, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 88  LYS+ HA  91  ILE  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 88  LYS+ HA  92  ALA  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1311,1386, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 88  LYS+ HN  89  GLN  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1309,1331, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 88  LYS+ HN  90  ILE  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1309,1348, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 88  LYS+ QB 89  GLN  HN     3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1313,1314,
 &end
#
# 89  GLN  HA  89  GLN  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1333,1331, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 89  GLN  HA  90  ILE  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1333,1348, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 89  GLN  HA  91  ILE  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=1333,1367, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 89  GLN  HA  92  ALA  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1333,1386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 89  GLN  HA  93  SER  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=1333,1396, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 89  GLN  HN  90  ILE  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1348, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 89  GLN  HN  91  ILE  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1331,1367, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 89  GLN  QB 90  ILE  HN     4.3
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1335,1336,
 &end
#
# 90  ILE  HA  90  ILE  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1348, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 90  ILE  HA  91  ILE  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 90  ILE  HA  92  ALA  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1386, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 90  ILE  HA  93  SER  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 90  ILE  HA  94  GLN  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1350,1407, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 90  ILE  HB  91  ILE  HN     3.5 
 &rst
  ixpk= 0, nxpk= 0, iat=1352,1367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 90  ILE  HN  91  ILE  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1348,1367, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 90  ILE  HN  92  ALA  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1348,1386, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 91  ILE  HA  91  ILE  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1369,1367, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 91  ILE  HA  92  ALA  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1369,1386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 91  ILE  HA  93  SER  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=1369,1396, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 91  ILE  HA  94  GLN  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1369,1407, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 91  ILE  HA  95  PHE  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1369,1424, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 91  ILE  HB  92  ALA  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1371,1386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 91  ILE  HN  92  ALA  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1367,1386, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 91  ILE  HN  93  SER  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1367,1396, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 92  ALA  HA  92  ALA  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1388,1386, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 92  ALA  HA  93  SER  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1388,1396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 92  ALA  HA  94  GLN  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=1388,1407, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 92  ALA  HA  95  PHE  HN     4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1388,1424, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 92  ALA  HA  96  GLY  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1388,1444, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 92  ALA  HN  93  SER  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1386,1396, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 92  ALA  HN  94  GLN  HN     4.4
 &rst
  ixpk= 0, nxpk= 0, iat=1386,1407, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 92  ALA  QB  93  SER  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1390,1391,1392,
 &end
#
# 93  SER  HA  93  SER  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1398,1396, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 93  SER  HA  94  GLN  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=1398,1407, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 93  SER  HA  96  GLY  HN     4.0
 &rst
  ixpk= 0, nxpk= 0, iat=1398,1444, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 93  SER  HA  97  ARG+  HN     5.0
 &rst
  ixpk= 0, nxpk= 0, iat=1398,1451, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 93  SER  HN  94  GLN  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1396,1407, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 93  SER  HN  95  PHE  HN     4.2
 &rst
  ixpk= 0, nxpk= 0, iat=1396,1424, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 93  SER  QB  94  GLN  HN     3.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1407, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1400,1401,
 &end
#
# 94  GLN  HA  94  GLN  HN     2.9
 &rst
  ixpk= 0, nxpk= 0, iat=1409,1407, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 94  GLN  HN  95  PHE  HN     2.8
 &rst
  ixpk= 0, nxpk= 0, iat=1407,1424, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 50 HIS HA 53 GLU- HA 5.0  (# 5062:20 4.8-4.9)
 &rst
  ixpk= 5062, nxpk= 20, iat= 726, 769, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 50 HIS HA 53 GLU- QB 4.3  (# 805,803,1301:20 2.3-4.4)
 &rst
  ixpk= 805, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 771, 772,
 &end
#
# 50 HIS HA 53 GLU- QG 4.8  (# 792,2834:20 3.0-4.9)
 &rst
  ixpk= 792, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 774, 775,
 &end
#
# 50 HIS HA 124 ILE HB 4.8  (# 2833:20 3.5-5.0)
 &rst
  ixpk= 2833, nxpk= 20, iat= 726,1875, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 50 HIS HA 124 ILE HA 4.8  (# 3.9-4.9)
 &rst
  ixpk= 3, nxpk= 20, iat= 726,1873, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 50 HIS HA 127 TYR QB 4.8  (# 5154:20 4.6-4.8)
 &rst
  ixpk= 5154, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2=1925,1926,
 &end
#
# 50 HIS QB 53 GLU- HN 4.8  (# 167:20 4.2-5.0)
 &rst
  ixpk= 167, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 728, 729,
 &end
#
# 50 HIS QB 54 ALA HN 4.8  (# 167:20 4.2-5.0)
 &rst
  ixpk= 167, nxpk= 20, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 728, 729,
 &end
#
# 50 HIS QB 124 ILE HN 4.3  (# 167:20 3.9-4.5)
 &rst
  ixpk= 167, nxpk= 20, iat=  -1,1871, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 728, 729,
 &end
#
# 50 HIS QB 51 ALA HA 4.8  (# 4.5-4.9)
 &rst
  ixpk= 4, nxpk= 20, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 728, 729,
 &end
#
# 50 HIS QB 53 GLU- QB 4.0  (# 1313:20)
 &rst
  ixpk= 1313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 728, 729,
 igr2= 771, 772,
 &end
#
# 50 HIS QB 124 ILE QD1 4.3  (# 1312:20)
 &rst
  ixpk= 1312, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 728, 729,
 igr2=1884,1885,1886,
 &end
#
# 50 HIS QB 124 ILE HA 2.5  (# 2838:20)
 &rst
  ixpk= 2838, nxpk= 20, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 728, 729,
 &end
#
# 50 HIS QB 124 ILE HB 3.5  (#)
 &rst
  ixpk= 2838, nxpk= 20, iat=  -1,1875, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 728, 729,
 &end
#
# 50 HIS QB 127 TYR QB 4.5  (# 5155,5156:20)
 &rst
  ixpk= 5155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 728, 729,
 igr2=1925,1926,
 &end
#
# 51 ALA HN 48 THR HN 4.5  (#)
 &rst
  ixpk= 5155, nxpk= 20, iat= 741, 696, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 51 ALA HN 52 VAL HB 4.8  (# 350:10)
 &rst
  ixpk= 350, nxpk= 10, iat= 741, 755, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 51 ALA HN 52 VAL QG 4.7  (# 371:10)
 &rst
  ixpk= 371, nxpk= 10, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 757, 758, 759, 761, 762, 763,
 &end
#
# 51 ALA HN 54 ALA HN 4.8  (# 2319:10)
 &rst
  ixpk= 2319, nxpk= 10, iat= 741, 782, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 51 ALA QB 16 MET QB 4.8  (#)
 &rst
  ixpk= 2319, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 745, 746, 747,
 igr2= 231, 232,
 &end
#
# 51 ALA HA 55 LEU QD 5.0  (# 5026:20)
 &rst
  ixpk= 5026, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr2= 801, 802, 803, 805, 806, 807,
 &end
#
# 52 VAL HN 48 THR QG2 4.8  (# 1352:10)
 &rst
  ixpk= 1352, nxpk= 10, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 702, 703, 704,
 &end
#
# 52 VAL HN 48 THR HN 3.8  (#)
 &rst
  ixpk= 1352, nxpk= 10, iat= 751, 696, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
# 52 VAL HN 50 HIS HA 4.3  (# 1346:10)
 &rst
  ixpk= 1346, nxpk= 10, iat= 751, 726, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 52 VAL HN 55 LEU HN 4.8  (#)
 &rst
  ixpk= 1346, nxpk= 10, iat= 751, 792, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 52 VAL HN 62 LEU QB 4.5  (# 1348:10)
 &rst
  ixpk= 1348, nxpk= 10, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 918, 919,
 &end
#
# 52 VAL HA 62 LEU HG 4.8  (#)
 &rst
  ixpk= 1348, nxpk= 10, iat= 753, 921, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 52 VAL HA 55 LEU QB 4.8  (#)
 &rst
  ixpk= 1348, nxpk= 10, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 796, 797,
 &end
#
# 52 VAL HA 55 LEU HG 4.8  (#)
 &rst
  ixpk= 1348, nxpk= 10, iat= 753, 799, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 52 VAL HB 50 HIS HA 7.0  (#)
 &rst
  ixpk= 1348, nxpk= 10, iat= 755, 726, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
# 52 VAL HB 62 LEU QB 4.6  (# 1197:20)
 &rst
  ixpk= 1197, nxpk= 20, iat= 755,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 918, 919,
 &end
#
# 52 VAL QG1 47 ALA QB 4.8  (#)
 &rst
  ixpk= 1197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 757, 758, 759,
 igr2= 690, 691, 692,
 &end
#
# 52 VAL QG1 48 THR QG2 5.5  (#)
 &rst
  ixpk= 1197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 757, 758, 759,
 igr2= 702, 703, 704,
 &end
#
# 52 VAL QG1 48 THR HN 5.5  (# 341:20)
 &rst
  ixpk= 341, nxpk= 20, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 757, 758, 759,
 &end
#
# 52 VAL QG1 51 ALA HN 4.7  (#)
 &rst
  ixpk= 341, nxpk= 20, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 757, 758, 759,
 &end
#
# 52 VAL QG1 51 ALA QB 4.7  (# 1832:20)
 &rst
  ixpk= 1832, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 757, 758, 759,
 igr2= 745, 746, 747,
 &end
#
# 52 VAL QG1 63 ASN HD21 4.7  (# 347:20)
 &rst
  ixpk= 347, nxpk= 20, iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 757, 758, 759,
 &end
#
# 52 VAL QG1 62 LEU QB 4.3  (#)
 &rst
  ixpk= 347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 757, 758, 759,
 igr2= 918, 919,
 &end
#
# 52 VAL QG1 62 LEU QD1 5.0  (# 1831:20)
 &rst
  ixpk= 1831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 757, 758, 759,
 igr2= 923, 924, 925,
 &end
#
# 52 VAL QG1 62 LEU QD2 5.0  (# )
 &rst
  ixpk= 1831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 757, 758, 759,
 igr2= 927, 928, 929,
 &end
#
# 52 VAL QG1 53 GLU- HA 5.5  (# 1831:20)
 &rst
  ixpk= 1831, nxpk= 20, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 757, 758, 759,
 &end
#
# 52 VAL QG2 53 GLU- HN 5.0  (# 385:20)
 &rst
  ixpk= 385, nxpk= 20, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 761, 762, 763,
 &end
#
# 52 VAL QG2 53 GLU- HA 4.5  (# 1906:20)
 &rst
  ixpk= 1906, nxpk= 20, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 761, 762, 763,
 &end
#
# 52 VAL QG2 62 LEU QB 4.5  (# 1910:20)
 &rst
  ixpk= 1910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 761, 762, 763,
 igr2= 918, 919,
 &end
#
# 52 VAL QG2 62 LEU QD1 4.5  (# 1912:20)
 &rst
  ixpk= 1912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 761, 762, 763,
 igr2= 923, 924, 925,
 &end
#
# 53 GLU- HN 56 PHE HN 4.7  (#)
 &rst
  ixpk= 1912, nxpk= 20, iat= 767, 811, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 53 GLU- HN 56 PHE QB 5.0  (#)
 &rst
  ixpk= 1912, nxpk= 20, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 815, 816,
 &end
#
# 53 GLU- HN 124 ILE QD1 4.8  (# 460:10)
 &rst
  ixpk= 460, nxpk= 10, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1884,1885,1886,
 &end
#
# 53 GLU- HA 52 VAL HB 5.5  (# 728:20)
 &rst
  ixpk= 728, nxpk= 20, iat= 769, 755, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 53 GLU- HA 54 ALA HA 4.8  (#)
 &rst
  ixpk= 728, nxpk= 20, iat= 769, 784, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 53 GLU- QB 50 HIS QB 4.3  (#)
 &rst
  ixpk= 728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 771, 772,
 igr2= 728, 729,
 &end
#
# 53 GLU- QB 124 ILE HB 4.8  (#)
 &rst
  ixpk= 728, nxpk= 20, iat=  -1,1875, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 771, 772,
 &end
#
# 53 GLU- QG 56 PHE QB 5.0  (# 2868:20)
 &rst
  ixpk= 2868, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 774, 775,
 igr2= 815, 816,
 &end
#
# 53 GLU- QG 57 GLU- HN 4.9  (# 86:20)
 &rst
  ixpk= 86, nxpk= 20, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 774, 775,
 &end
#
# 53 GLU- QG 54 ALA HN 4.9  (# 85,91:20)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 774, 775,
 &end
#
# 54 ALA HN 57 GLU- HN 4.9  (# 621:10)
 &rst
  ixpk= 621, nxpk= 10, iat= 782, 831, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 54 ALA HN 124 ILE QD1 4.2  (# 634:10)
 &rst
  ixpk= 634, nxpk= 10, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2=1884,1885,1886,
 &end
#
# 54 ALA HN 127 TYR QB 5.5  (#)
 &rst
  ixpk= 634, nxpk= 10, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1925,1926,
 &end
#
# 54 ALA HA 53 GLU- QB 4.5  (# 2378:20)
 &rst
  ixpk= 2378, nxpk= 20, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 771, 772,
 &end
#
# 54 ALA HA 57 GLU- QB 3.2  (# 2378,5044:20)
 &rst
  ixpk= 2378, nxpk= 20, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 835, 836,
 &end
#
# 54 ALA HA 57 GLU- QG 5.0  (#)
 &rst
  ixpk= 2378, nxpk= 20, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 838, 839,
 &end
#
# 54 ALA QB 55 LEU QD1 4.6  (# 2138)
 &rst
  ixpk= 2138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 786, 787, 788,
 igr2= 801, 802, 803,
 &end
#
# 54 ALA QB 55 LEU QD2 4.6  (# 2138)
 &rst
  ixpk= 2138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 786, 787, 788,
 igr2= 805, 806, 807,
 &end
#
# 54 ALA QB 55 LEU HA 4.6  (#)
 &rst
  ixpk= 2138, nxpk= 20, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 786, 787, 788,
 &end
#
# 54 ALA QB 124 ILE QD1 4.8  (# 2138)
 &rst
  ixpk= 2138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1= 786, 787, 788,
 igr2=1884,1885,1886,
 &end
#
# 55 LEU QB 56 PHE HN 4.0  (# 2881,2880:20)
 &rst
  ixpk= 2881, nxpk= 20, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 796, 797,
 &end
#
# 55 LEU QB 59 HIS HN 5.0  (#)
 &rst
  ixpk= 2881, nxpk= 20, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 796, 797,
 &end
#
# 55 LEU QB 60 ILE QG2 4.5  (#)
 &rst
  ixpk= 2881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 796, 797,
 igr2= 891, 892, 893,
 &end
#
# 55 LEU QB 62 LEU QB 4.6  (#)
 &rst
  ixpk= 2881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 796, 797,
 igr2= 918, 919,
 &end
#
# 55 LEU QB 62 LEU HG 4.9  (#)
 &rst
  ixpk= 2881, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 796, 797,
 &end
#
# 55 LEU QD1 16 MET HA 4.8  (#)
 &rst
  ixpk= 2881, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 801, 802, 803,
 &end
#
# 55 LEU QD1 16 MET QB 4.8  (#)
 &rst
  ixpk= 2881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 801, 802, 803,
 igr2= 231, 232,
 &end
#
# 55 LEU QD1 16 MET HE1 4.2  (# 1682:20)
 &rst
  ixpk= 1682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 801, 802, 803,
 igr2= 238, 239, 240,
 &end
#
# 55 LEU QD1 20 LEU HG 5.5  (#)
 &rst
  ixpk= 1682, nxpk= 20, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 801, 802, 803,
 &end
#
# 55 LEU QD1 20 LEU QD 4.9  (#)
 &rst
  ixpk= 1682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 801, 802, 803,
 igr2= 288, 289, 290, 292, 293, 294,
 &end
#
# 55 LEU QD1 58 LYS+ QB 5.0  (# 1679:20)
 &rst
  ixpk= 1679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 801, 802, 803,
 igr2= 850, 851,
 &end
#
# 55 LEU QD1 60 ILE QG2 5.0  (#)
 &rst
  ixpk= 1679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 801, 802, 803,
 igr2= 891, 892, 893,
 &end
#
# 55 LEU QD1 60 ILE QD1 5.0  (#)
 &rst
  ixpk= 1679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 801, 802, 803,
 igr2= 898, 899, 900,
 &end
#
# 56 PHE HN 52 VAL QG2 5.0  (# 145:10)
 &rst
  ixpk= 145, nxpk= 10, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 761, 762, 763,
 &end
#
# 56 PHE HN 53 GLU- HN 4.7  (#)
 &rst
  ixpk= 145, nxpk= 10, iat= 811, 767, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 56 PHE HN 57 GLU- QB 4.8  (# 142:10)
 &rst
  ixpk= 142, nxpk= 10, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 835, 836,
 &end
#
# 56 PHE HN 61 ALA HA 5.0  (#)
 &rst
  ixpk= 142, nxpk= 10, iat= 811, 906, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 56 PHE HA 55 LEU QB 4.5  (# 5033:20)
 &rst
  ixpk= 5033, nxpk= 20, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 796, 797,
 &end
#
# 56 PHE HA 59 HIS HN 3.2  (# 2539:20)
 &rst
  ixpk= 2539, nxpk= 20, iat= 813, 868, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 56 PHE HA 59 HIS HA 3.9  (#)
 &rst
  ixpk= 2539, nxpk= 20, iat= 813, 870, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
# 56 PHE HA 60 ILE HB 4.8  (# 5032:20)
 &rst
  ixpk= 5032, nxpk= 20, iat= 813, 889, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 57 GLU- HN 56 PHE HA 3.6  (# 1046:10)
 &rst
  ixpk= 1046, nxpk= 10, iat= 831, 813, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 57 GLU- HA 56 PHE HA 5.0  (#)
 &rst
  ixpk= 1046, nxpk= 10, iat= 833, 813, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 57 GLU- HA 56 PHE QB 5.0  (#)
 &rst
  ixpk= 1046, nxpk= 10, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 815, 816,
 &end
#
# 57 GLU- QB 59 HIS HN 5.0  (# 159:20)
 &rst
  ixpk= 159, nxpk= 20, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 835, 836,
 &end
#
# 58 LYS+ HN 55 LEU QB 5.0  (# 1555:10)
 &rst
  ixpk= 1555, nxpk= 10, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 796, 797,
 &end
#
# 58 LYS+ HN 56 PHE HA 4.5  (#)
 &rst
  ixpk= 1555, nxpk= 10, iat= 846, 813, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 58 LYS+ HA 55 LEU HA 5.0  (#)
 &rst
  ixpk= 1555, nxpk= 10, iat= 848, 794, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 58 LYS+ HA 57 GLU- HA 4.9  (#)
 &rst
  ixpk= 1555, nxpk= 10, iat= 848, 833, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 58 LYS+ HA 57 GLU- QB 4.9  (#)
 &rst
  ixpk= 1555, nxpk= 10, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 835, 836,
 &end
#
# 58 LYS+ QB 20 LEU HA 6.0  (#)
 &rst
  ixpk= 1555, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 850, 851,
 &end
#
# 58 LYS+ QB 55 LEU HA 3.8  (#)
 &rst
  ixpk= 1555, nxpk= 10, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 850, 851,
 &end
#
# 58 LYS+ QG 20 LEU HA 6.5  (#)
 &rst
  ixpk= 1555, nxpk= 10, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1= 853, 854,
 &end
#
# 58 LYS+ QG 55 LEU HA 5.0  (#)
 &rst
  ixpk= 1555, nxpk= 10, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 853, 854,
 &end
#
# 58 LYS+ QG 20 LEU QD1 6.5  (#)
 &rst
  ixpk= 1555, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.76, r4= 9.26,
 igr1= 853, 854,
 igr2= 288, 289, 290,
 &end
#
# 58 LYS+ QG 20 LEU QD2 5.5  (#)
 &rst
  ixpk= 1555, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 853, 854,
 igr2= 292, 293, 294,
 &end
#
# 58 LYS+ QG 20 LEU QB 7.0  (#)
 &rst
  ixpk= 1555, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 853, 854,
 igr2= 283, 284,
 &end
#
# 58 LYS+ QG 135 GLU- QG 5.5  (#)
 &rst
  ixpk= 1555, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 853, 854,
 igr2=2072,2073,
 &end
#
# 58 LYS+ QE 131 ARG QG 4.0  (# 915,917:20)
 &rst
  ixpk= 915, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 859, 860,
 igr2=2002,2003,
 &end
#
# 59 HIS HN 57 GLU- QB 5.0  (#)
 &rst
  ixpk= 915, nxpk= 10, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 835, 836,
 &end
#
# 59 HIS HN 60 ILE HB 4.7  (# 1664:10)
 &rst
  ixpk= 1664, nxpk= 10, iat= 868, 889, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 59 HIS HN 60 ILE QG1 5.0  (#)
 &rst
  ixpk= 1664, nxpk= 10, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 895, 896,
 &end
#
# 59 HIS HN 60 ILE QD1 5.0  (#)
 &rst
  ixpk= 1664, nxpk= 10, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 898, 899, 900,
 &end
#
# 59 HIS HN 61 ALA HN 4.5  (#)
 &rst
  ixpk= 1664, nxpk= 10, iat= 868, 904, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 59 HIS HA 61 ALA HN 4.9  (#)
 &rst
  ixpk= 1664, nxpk= 10, iat= 870, 904, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 59 HIS HA 60 ILE HA 4.7  (# 2339:20)
 &rst
  ixpk= 2339, nxpk= 20, iat= 870, 887, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 60 ILE HN 55 LEU QB 3.7  (# 692:10)
 &rst
  ixpk= 692, nxpk= 10, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 796, 797,
 &end
#
# 60 ILE HN 56 PHE HN 4.8  (# 686:10)
 &rst
  ixpk= 686, nxpk= 10, iat= 885, 811, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 60 ILE HN 56 PHE QE 6.0  (# 2325:10)
 &rst
  ixpk= 2325, nxpk= 10, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 821, 825,
 &end
#
# 60 ILE HN 59 HIS HN 2.6  (#)
 &rst
  ixpk= 2325, nxpk= 10, iat= 885, 868, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 60 ILE HN 59 HIS HD2 5.0  (#)
 &rst
  ixpk= 2325, nxpk= 10, iat= 885, 881, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 60 ILE HN 61 ALA HA 5.0  (#)
 &rst
  ixpk= 2325, nxpk= 10, iat= 885, 906, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 60 ILE HA 55 LEU QB 5.0  (#)
 &rst
  ixpk= 2325, nxpk= 10, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 796, 797,
 &end
#
# 60 ILE HA 61 ALA HA 5.5  (#)
 &rst
  ixpk= 2325, nxpk= 10, iat= 887, 906, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 60 ILE HB 19 ALA QB 4.5  (#)
 &rst
  ixpk= 2325, nxpk= 10, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 273, 274, 275,
 &end
#
# 60 ILE HB 55 LEU HA 4.1  (# 5018:20)
 &rst
  ixpk= 5018, nxpk= 20, iat= 889, 794, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 60 ILE HB 55 LEU QB 3.0  (#)
 &rst
  ixpk= 5018, nxpk= 20, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 796, 797,
 &end
#
# 60 ILE HB 55 LEU QD1 4.2
 &rst
  ixpk= 5018, nxpk= 20, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 801, 802, 803,
 &end
#
# 60 ILE HB 59 HIS HN 4.8  (#)
 &rst
  ixpk= 5018, nxpk= 20, iat= 889, 868, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 60 ILE QG1 23 SER QB 4.3  (#)
 &rst
  ixpk= 5018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 895, 896,
 igr2= 344, 345,
 &end
#
# 60 ILE QG1 55 LEU QB 4.7  (#)
 &rst
  ixpk= 5018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 895, 896,
 igr2= 796, 797,
 &end
#
# 60 ILE QG2 22 LYS+ QB 4.7  (#)
 &rst
  ixpk= 5018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 891, 892, 893,
 igr2= 322, 323,
 &end
#
# 60 ILE QG2 55 LEU QB 4.7  (# 2064:20)
 &rst
  ixpk= 2064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 891, 892, 893,
 igr2= 796, 797,
 &end
#
# 60 ILE QD1 19 ALA HA 4.8  (#)
 &rst
  ixpk= 2064, nxpk= 20, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 898, 899, 900,
 &end
#
# 60 ILE QD1 19 ALA QB 4.7  (#)
 &rst
  ixpk= 2064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 898, 899, 900,
 igr2= 273, 274, 275,
 &end
#
# 60 ILE QD1 20 LEU HA 5.0  (# 2246:20)
 &rst
  ixpk= 2246, nxpk= 20, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 898, 899, 900,
 &end
#
# 60 ILE QD1 22 LYS+ QB 5.0  (#)
 &rst
  ixpk= 2246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 898, 899, 900,
 igr2= 322, 323,
 &end
#
# 60 ILE QD1 23 SER HN 4.8  (# 2933:20)
 &rst
  ixpk= 2933, nxpk= 20, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 898, 899, 900,
 &end
#
# 60 ILE QD1 23 SER QB 4.8  (#)
 &rst
  ixpk= 2933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 898, 899, 900,
 igr2= 344, 345,
 &end
#
# 61 ALA HN 55 LEU QB 4.1  (#)
 &rst
  ixpk= 2933, nxpk= 20, iat= 904,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 796, 797,
 &end
#
# 61 ALA HA 62 LEU QB 4.8  (# 5011:20)
 &rst
  ixpk= 5011, nxpk= 20, iat= 906,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 918, 919,
 &end
#
# 61 ALA HA 56 PHE QE 5.5  (# 5012:20)
 &rst
  ixpk= 5012, nxpk= 20, iat= 906,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 821, 825,
 &end
#
# 61 ALA HA 52 VAL QG2 4.8  (#)
 &rst
  ixpk= 5012, nxpk= 20, iat= 906,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 761, 762, 763,
 &end
#
# 62 LEU HN 55 LEU QB 4.3  (# 110:10)
 &rst
  ixpk= 110, nxpk= 10, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 796, 797,
 &end
#
# 62 LEU HN 56 PHE HN 4.7  (#)
 &rst
  ixpk= 110, nxpk= 10, iat= 914, 811, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
# 62 LEU HN 56 PHE HA 4.9  (# 104:10)
 &rst
  ixpk= 104, nxpk= 10, iat= 914, 813, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 62 LEU HN 63 ASN HN 4.6  (#)
 &rst
  ixpk= 104, nxpk= 10, iat= 914, 933, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 62 LEU HA 63 ASN HD22 5.2  (#)
 &rst
  ixpk= 104, nxpk= 10, iat= 916, 943, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 62 LEU HA 60 ILE QG2 4.9  (#)
 &rst
  ixpk= 104, nxpk= 10, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 891, 892, 893,
 &end
#
# 62 LEU QB 55 LEU QB 5.0  (# 4.38:20)
 &rst
  ixpk= 4, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 918, 919,
 igr2= 796, 797,
 &end
#
# 62 LEU QB 55 LEU HN 5.0  (# 4470:20)
 &rst
  ixpk= 4470, nxpk= 20, iat=  -1, 792, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 918, 919,
 &end
#
# 62 LEU QB 52 VAL QG1 5.0  (# 4472,2343,2201:20)
 &rst
  ixpk= 4472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 918, 919,
 igr2= 757, 758, 759,
 &end
#
# 62 LEU HG 55 LEU QD1 5.5  (# 1555:20)
 &rst
  ixpk= 1555, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 801, 802, 803,
 &end
#
# 62 LEU QD1 16 MET QB 4.5  (# 1603:20)
 &rst
  ixpk= 1603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 923, 924, 925,
 igr2= 231, 232,
 &end
#
# 62 LEU QD1 16 MET HA 4.2  (# 2957:20)
 &rst
  ixpk= 2957, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 923, 924, 925,
 &end
#
# 62 LEU QD1 51 ALA HA 4.6  (# 2956:20)
 &rst
  ixpk= 2956, nxpk= 20, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 923, 924, 925,
 &end
#
# 62 LEU QD1 55 LEU QB 4.3  (# 1603:20)
 &rst
  ixpk= 1603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 923, 924, 925,
 igr2= 796, 797,
 &end
#
# 62 LEU QD2 52 VAL HA 5.0  (#)
 &rst
  ixpk= 1603, nxpk= 20, iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 927, 928, 929,
 &end
#
# 63 ASN HA 47 ALA QB 4.7  (# 4069:20)
 &rst
  ixpk= 4069, nxpk= 20, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 690, 691, 692,
 &end
#
# 63 ASN HA 52 VAL QG2 5.5  (#)
 &rst
  ixpk= 4069, nxpk= 20, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 761, 762, 763,
 &end
#
# 63 ASN HA 64 HIS HA 4.9  (#)
 &rst
  ixpk= 4069, nxpk= 20, iat= 935, 949, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 64 HIS QB 11 THR HA 5.5  (#)
 &rst
  ixpk= 4069, nxpk= 20, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 951, 952,
 &end
#
# 64 HIS QB 11 THR QG2 4.7  (#)
 &rst
  ixpk= 4069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 951, 952,
 igr2= 159, 160, 161,
 &end
#
# 64 HIS QB 46 LYS+ HA 5.0  (#)
 &rst
  ixpk= 4069, nxpk= 20, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 951, 952,
 &end
#
# 64 HIS QB 47 ALA HA 4.2  (#)
 &rst
  ixpk= 4069, nxpk= 20, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 951, 952,
 &end
#
# 65 VAL HA 45 GLY HN 4.8  (# 2823:20)
 &rst
  ixpk= 2823, nxpk= 20, iat= 966, 657, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 65 VAL HA 46 LYS+ HN 4.8  (# 2824:20)
 &rst
  ixpk= 2824, nxpk= 20, iat= 966, 664, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 65 VAL HA 47 ALA HN 4.0  (# 2823:20)
 &rst
  ixpk= 2823, nxpk= 20, iat= 966, 686, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 65 VAL HA 46 LYS+ QB 2.5  (# 3137,716:20)
 &rst
  ixpk= 3137, nxpk= 20, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 668, 669,
 &end
#
# 65 VAL HA 66 SER QB 4.8  (# 2817:20)
 &rst
  ixpk= 2817, nxpk= 20, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 984, 985,
 &end
#
# 65 VAL HB 64 HIS HA 5.0  (#)
 &rst
  ixpk= 2817, nxpk= 20, iat= 968, 949, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 65 VAL HB 46 LYS+ QB 4.6  (#)
 &rst
  ixpk= 2817, nxpk= 20, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 668, 669,
 &end
#
# 65 VAL QG1 45 GLY HN 5.0  (# 3619:20)
 &rst
  ixpk= 3619, nxpk= 20, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 970, 971, 972,
 &end
#
# 65 VAL QG1 46 LYS+ QD 4.8  (#)
 &rst
  ixpk= 3619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 970, 971, 972,
 igr2= 674, 675,
 &end
#
# 65 VAL QG1 66 SER HA 5.0  (#)
 &rst
  ixpk= 3619, nxpk= 20, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 970, 971, 972,
 &end
#
# 65 VAL QG1 66 SER QB 4.5  (#)
 &rst
  ixpk= 3619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 970, 971, 972,
 igr2= 984, 985,
 &end
#
# 65 VAL QG2 47 ALA QB 6.5  (# 1905:20)
 &rst
  ixpk= 1905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.37, r4= 9.87,
 igr1= 974, 975, 976,
 igr2= 690, 691, 692,
 &end
#
# 65 VAL QG2 46 LYS+ QB 4.8  (# 1901:20)
 &rst
  ixpk= 1901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 974, 975, 976,
 igr2= 668, 669,
 &end
#
# 65 VAL QG2 46 LYS+ QD 5.0  (# 2856:20)
 &rst
  ixpk= 2856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 974, 975, 976,
 igr2= 674, 675,
 &end
#
# 65 VAL QG2 63 ASN QB 5.5  (# 2858:20)
 &rst
  ixpk= 2858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 974, 975, 976,
 igr2= 937, 938,
 &end
#
# 66 SER HN 64 HIS HD2 5.0  (# 2326:10)
 &rst
  ixpk= 2326, nxpk= 10, iat= 980, 960, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 66 SER HN 46 LYS+ QB 4.5  (# 580:10)
 &rst
  ixpk= 580, nxpk= 10, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 668, 669,
 &end
#
# 66 SER HN 47 ALA HN 4.8  (# 572:10)
 &rst
  ixpk= 572, nxpk= 10, iat= 980, 686, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 66 SER HA 10 ASN QB 4.8  (#4102:20)
 &rst
  ixpk= 572, nxpk= 10, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 143, 144,
 &end
#
# 66 SER HA 10 ASN QB 4.9  (#)
 &rst
  ixpk= 572, nxpk= 10, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2= 143, 144,
 &end
#
# 66 SER HA 11 THR QG2 4.9  (# 4103:20)
 &rst
  ixpk= 4103, nxpk= 20, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 159, 160, 161,
 &end
#
# 66 SER HA 41 ALA QB 4.8  (# 4103)
 &rst
  ixpk= 4103, nxpk= 20, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 612, 613, 614,
 &end
#
# 66 SER QB 10 ASN QB 4.7  (# 4180,4181:20)
 &rst
  ixpk= 4180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 984, 985,
 igr2= 143, 144,
 &end
#
# 66 SER QB 11 THR QG2 4.6  (# 669:20)
 &rst
  ixpk= 669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 984, 985,
 igr2= 159, 160, 161,
 &end
#
# 66 SER QB 41 ALA QB 4.7  (# 669:20)
 &rst
  ixpk= 669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 984, 985,
 igr2= 612, 613, 614,
 &end
#
# 66 SER QB 11 THR HA 6.0  (# 4183,4230:20)
 &rst
  ixpk= 4183, nxpk= 20, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 984, 985,
 &end
#
# 67 SER HN 38 GLY HN 4.9  (# 2046:10)
 &rst
  ixpk= 2046, nxpk= 10, iat= 991, 565, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 67 SER HN 37 ALA HA 4.9  (# 1407:10)
 &rst
  ixpk= 1407, nxpk= 10, iat= 991, 557, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
# 67 SER HN 41 ALA QB 4.8  (# 1408:10)
 &rst
  ixpk= 1408, nxpk= 10, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 612, 613, 614,
 &end
#
# 67 SER HA 68 PRO QD 3.0  (# 4996:20)
 &rst
  ixpk= 4996, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1003,1004,
 &end
#
# 67 SER HA 41 ALA QB 4.1  (# 4998:20)
 &rst
  ixpk= 4998, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 612, 613, 614,
 &end
#
# 67 SER HA 43 PRO QG 2.8  (# 4997:20)
 &rst
  ixpk= 4997, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 633, 634,
 &end
#
# 67 SER HA 66 SER HA 4.6  (# 4993:20)
 &rst
  ixpk= 4993, nxpk= 20, iat= 993, 982, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 67 SER QB 37 ALA QB 4.9  (# 4245,4246:20)
 &rst
  ixpk= 4245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 995, 996,
 igr2= 559, 560, 561,
 &end
#
# 67 SER QB 41 ALA QB 5.5  (# 4245,4246:20)
 &rst
  ixpk= 4245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 995, 996,
 igr2= 612, 613, 614,
 &end
#
# 67 SER QB 43 PRO QG 4.8  (# 4247,4248:20)
 &rst
  ixpk= 4247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 995, 996,
 igr2= 633, 634,
 &end
#
# 67 SER QB 73 LEU QD2 5.5  (# 4243,4244:20)
 &rst
  ixpk= 4243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 995, 996,
 igr2=1092,1093,1094,
 &end
#
# 67 SER QB 37 ALA HA 4.9  (# 4254,4255:20)
 &rst
  ixpk= 4254, nxpk= 20, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 995, 996,
 &end
#
# 67 SER QB 38 GLY HN 7.0  (# 4258,4259:20)
 &rst
  ixpk= 4258, nxpk= 20, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 995, 996,
 &end
#
# 68 PRO QB 41 ALA HN 4.2  (#)
 &rst
  ixpk= 4258, nxpk= 20, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1009,1010,
 &end
#
# 68 PRO QB 67 SER HA 5.2  (#)
 &rst
  ixpk= 4258, nxpk= 20, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1009,1010,
 &end
#
# 68 PRO QB 69 LEU HA 5.0  (#)
 &rst
  ixpk= 4258, nxpk= 20, iat=  -1,1018, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1009,1010,
 &end
#
# 68 PRO QB 41 ALA QB 3.8  (# 1206,4980:20)
 &rst
  ixpk= 1206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1009,1010,
 igr2= 612, 613, 614,
 &end
#
# 68 PRO QB 39 VAL HA 6.0  (#)
 &rst
  ixpk= 1206, nxpk= 20, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1009,1010,
 &end
#
# 68 PRO QG 41 ALA QB 4.8  (# 1551:20)
 &rst
  ixpk= 1551, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1=1006,1007,
 igr2= 612, 613, 614,
 &end
#
# 68 PRO QG 70 THR QG2 5.5  (# 1554:20)
 &rst
  ixpk= 1554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1006,1007,
 igr2=1041,1042,1043,
 &end
#
# 68 PRO QG 67 SER HA 5.0  (# 230:20)
 &rst
  ixpk= 230, nxpk= 20, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1006,1007,
 &end
#
# 69 LEU HN 37 ALA QB 4.0  (# 422:10)
 &rst
  ixpk= 422, nxpk= 10, iat=1016,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 559, 560, 561,
 &end
#
# 69 LEU HN 38 GLY HA2 5.0  (#)
 &rst
  ixpk= 422, nxpk= 10, iat=1016, 567, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 69 LEU HN 39 VAL HA 4.1  (# 2327:10)
 &rst
  ixpk= 2327, nxpk= 10, iat=1016, 574, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 69 LEU HN 41 ALA HN 4.5  (# 2328:10)
 &rst
  ixpk= 2328, nxpk= 10, iat=1016, 608, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 69 LEU HA 70 THR HA 4.4  (#)
 &rst
  ixpk= 2328, nxpk= 10, iat=1018,1037, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 69 LEU HA 70 THR  MG 5.5  (#)
 &rst
  ixpk= 2328, nxpk= 10, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1041,1042,1043,
 &end
#
# 69 LEU HA 73 LEU QB 5.5  (#)
 &rst
  ixpk= 2328, nxpk= 10, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1083,1084,
 &end
#
# 69 LEU HA 73 LEU QD2 4.8  (# 827:20)
 &rst
  ixpk= 827, nxpk= 20, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2=1092,1093,1094,
 &end
#
# 69 LEU HA 6 VAL QG2 6.7  (#)
 &rst
  ixpk= 827, nxpk= 20, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr2= 101, 102, 103,
 &end
#
# 69 LEU QB 6 VAL QG2 6.0  (# 3131,3132:20)
 &rst
  ixpk= 3131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1020,1021,
 igr2= 101, 102, 103,
 &end
#
# 69 LEU QB 37 ALA QB 3.3  (# 994,4493:20)
 &rst
  ixpk= 994, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1=1020,1021,
 igr2= 559, 560, 561,
 &end
#
# 69 LEU QB 39 VAL QG1 6.0  (# 3131,3132:20)
 &rst
  ixpk= 3131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1020,1021,
 igr2= 578, 579, 580,
 &end
#
# 69 LEU QB 70 THR HN 4.0  (# 1578,1572:10)
 &rst
  ixpk= 1578, nxpk= 20, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1020,1021,
 &end
#
# 69 LEU HG 6 VAL QG2 5.5  (#)
 &rst
  ixpk= 1578, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 101, 102, 103,
 &end
#
# 69 LEU HG 80 VAL QG1 5.2  (#)
 &rst
  ixpk= 1578, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2=1188,1189,1190,
 &end
#
# 69 LEU HG 80 VAL QG2 6.3  (#)
 &rst
  ixpk= 1578, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr2=1192,1193,1194,
 &end
#
# 69 LEU HG 91 ILE QG2 6.5  (# 1577:20)
 &rst
  ixpk= 1577, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1373,1374,1375,
 &end
#
# 69 LEU HG 91 ILE QD1 5.5  (#)
 &rst
  ixpk= 1577, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1380,1381,1382,
 &end
#
# 69 LEU QD1 37 ALA QB 3.5  (# 1812:20)
 &rst
  ixpk= 1812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1025,1026,1027,
 igr2= 559, 560, 561,
 &end
#
# 69 LEU QD1 73 LEU QB 4.1  (# 1812,1822:20)
 &rst
  ixpk= 1812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1025,1026,1027,
 igr2=1083,1084,
 &end
#
# 69 LEU QD1 74 MET HN 4.6  (# 329:20)
 &rst
  ixpk= 329, nxpk= 20, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1025,1026,1027,
 &end
#
# 70 THR HN 72 GLU- QG 5.5  (#)
 &rst
  ixpk= 329, nxpk= 20, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1071,1072,
 &end
#
# 70 THR HN 71 GLU- HN 4.4  (#2329:10)
 &rst
  ixpk= 329, nxpk= 20, iat=1035,1049, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 70 THR HN 68 PRO QG 7.0  (#1570:10)
 &rst
  ixpk= 329, nxpk= 20, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1006,1007,
 &end
#
# 70 THR HB 72 GLU- QG 3.3  (#4971:20)
 &rst
  ixpk= 329, nxpk= 20, iat=1039,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1071,1072,
 &end
#
# 70 THR HB 73 LEU HN 4.3  (# 380:20)
 &rst
  ixpk= 380, nxpk= 20, iat=1039,1079, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
# 70 THR HB 68 PRO QB 6.5  (# 1889:20)
 &rst
  ixpk= 1889, nxpk= 20, iat=1039,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2=1009,1010,
 &end
#
# 70 THR HB 71 GLU- HA 4.8  (# 3741:20)
 &rst
  ixpk= 3741, nxpk= 20, iat=1039,1051, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 70 THR HB 69 LEU QD1 7.0  (# 3740:20)
 &rst
  ixpk= 3740, nxpk= 20, iat=1039,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1025,1026,1027,
 &end
#
# 71 GLU- HN 72 GLU- HA 5.5  (#)
 &rst
  ixpk= 3740, nxpk= 20, iat=1049,1066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 71 GLU- HN 72 GLU- QB 5.5  (# 389:10,2330:10)
 &rst
  ixpk= 389, nxpk= 10, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1068,1069,
 &end
#
# 71 GLU- HN 72 GLU- QG 4.0  (# 385:20)
 &rst
  ixpk= 385, nxpk= 20, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1071,1072,
 &end
#
# 71 GLU- HA 73 LEU QB 5.5  (# 4963:20)
 &rst
  ixpk= 4963, nxpk= 20, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1083,1084,
 &end
#
# 71 GLU- HA 74 MET QB 2.5  (#)
 &rst
  ixpk= 4963, nxpk= 20, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=1102,1103,
 &end
#
# 71 GLU- HA 74 MET HA 5.0  (# 4084:20)
 &rst
  ixpk= 4084, nxpk= 20, iat=1051,1100, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 71 GLU- HA 94 GLN HE21 5.6  (#)
 &rst
  ixpk= 4084, nxpk= 20, iat=1051,1419, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
# 71 GLU- QB 73 LEU HN 5.1  (#)
 &rst
  ixpk= 4084, nxpk= 20, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=1053,1054,
 &end
#
# 71 GLU- QB 70 THR QG2 4.8  (# 3159:20)
 &rst
  ixpk= 3159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1=1053,1054,
 igr2=1041,1042,1043,
 &end
#
# 71 GLU- QB 72 GLU- QG 4.6  (# 1341:20)
 &rst
  ixpk= 1341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=1053,1054,
 igr2=1071,1072,
 &end
#
# 71 GLU- QB 72 GLU- HA 4.3  (#)
 &rst
  ixpk= 1341, nxpk= 20, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1053,1054,
 &end
#
# 72 GLU- HN 73 LEU HA 5.3  (# 1272:10)
 &rst
  ixpk= 1272, nxpk= 10, iat=1064,1081, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 72 GLU- HN 73 LEU QB 5.5  (# 1280:10)
 &rst
  ixpk= 1280, nxpk= 10, iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1083,1084,
 &end
#
# 72 GLU- HN 74 MET QG 5.9  (# 1282:10)
 &rst
  ixpk= 1282, nxpk= 10, iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr2=1105,1106,
 &end
#
# 72 GLU- HA 74 MET QG 5.5  (# 4957:20)
 &rst
  ixpk= 4957, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1105,1106,
 &end
#
# 72 GLU- QB 73 LEU HA 5.0  (#)
 &rst
  ixpk= 4957, nxpk= 20, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1068,1069,
 &end
#
# 72 GLU- QB 70 THR HB 5.2  (# 4958:20)
 &rst
  ixpk= 4958, nxpk= 20, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=1068,1069,
 &end
#
# 72 GLU- QG 70 THR QG2 5.5  (#)
 &rst
  ixpk= 4958, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1071,1072,
 igr2=1041,1042,1043,
 &end
#
# 73 LEU HN 69 LEU HA 5.5  (# 727:10)
 &rst
  ixpk= 727, nxpk= 10, iat=1079,1018, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 73 LEU HN 73 LEU QB 2.9  (# 732:10)
 &rst
  ixpk= 732, nxpk= 10, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,
 igr2=1083,1084,
 &end
#
# 73 LEU HN 69 LEU QD1 4.7  (# 737:10)
 &rst
  ixpk= 737, nxpk= 10, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1025,1026,1027,
 &end
#
# 73 LEU HA 72 GLU- HA 5.0  (#)
 &rst
  ixpk= 737, nxpk= 10, iat=1081,1066, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 73 LEU QB 4 ILE QD1 3.6  (# 1001,1008:20)
 &rst
  ixpk= 1001, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1083,1084,
 igr2=  65,  66,  67,
 &end
#
# 73 LEU QB 4 ILE QG2 4.7 1001,1008:20
 &rst
  ixpk= 1001, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1=1083,1084,
 igr2=  58,  59,  60,
 &end
#
# 73 LEU QB 74 MET HN 3.3  (# 16,17:20)
 &rst
  ixpk= 16, nxpk= 10, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1083,1084,
 &end
#
# 73 LEU HG 4 ILE QG2 4.5  (#)
 &rst
  ixpk= 16, nxpk= 10, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  58,  59,  60,
 &end
#
# 73 LEU HG 4 ILE QD1 3.8  (# 1476:20)
 &rst
  ixpk= 1476, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=  65,  66,  67,
 &end
#
# 73 LEU HG 35 ARG+ QD 4.7  (#)
 &rst
  ixpk= 1476, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 530, 531,
 &end
#
# 73 LEU HG 37 ALA QB 5.5  (#)
 &rst
  ixpk= 1476, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 559, 560, 561,
 &end
#
# 73 LEU HG 69 LEU QD1 4.7  (#)
 &rst
  ixpk= 1476, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1025,1026,1027,
 &end
#
# 73 LEU QD1 76 SER QB 5.1  (# 1783:20)
 &rst
  ixpk= 1783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1=1088,1089,1090,
 igr2=1134,1135,
 &end
#
# 73 LEU QD2 67 SER QB 5.5  (#)
 &rst
  ixpk= 1783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1092,1093,1094,
 igr2= 995, 996,
 &end
#
# 73 LEU QD2 37 ALA QB 4.5  (# 1611:20)
 &rst
  ixpk= 1611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1092,1093,1094,
 igr2= 559, 560, 561,
 &end
#
# 74 MET HA 73 LEU QB 4.2  (# 4937:20)
 &rst
  ixpk= 4937, nxpk= 20, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1083,1084,
 &end
#
# 74 MET QB 73 LEU QB 5.0  (#)
 &rst
  ixpk= 4937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1102,1103,
 igr2=1083,1084,
 &end
#
# 74 MET HN 4 ILE QD1 4.6  (#)
 &rst
  ixpk= 4937, nxpk= 20, iat=1098,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=  65,  66,  67,
 &end
#
# 74 MET HN 71 GLU- QG 5.1  (#)
 &rst
  ixpk= 4937, nxpk= 20, iat=1098,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2=1056,1057,
 &end
#
# 74 MET HN 71 GLU- HN 4.8  (#)
 &rst
  ixpk= 4937, nxpk= 20, iat=1098,1049, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 74 MET HN 95 PHE HD1 6.5  (#)
 &rst
  ixpk= 4937, nxpk= 20, iat=1098,1432, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,  &end
#
# 74 MET HN 95 PHE QE 4.5  (#)
 &rst
  ixpk= 4937, nxpk= 20, iat=1098,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1434,1438,
 &end
#
# 74 MET QB 71 GLU- HA 2.3  (# 3789:20)
 &rst
  ixpk= 3789, nxpk= 20, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08,
 igr1=1102,1103,
 &end
#
# 74 MET QB 73 LEU HN 4.3  (# 3791:20)
 &rst
  ixpk= 3791, nxpk= 20, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1=1102,1103,
 &end
#
# 74 MET QB 94 GLN HE21 5.5  (#)
 &rst
  ixpk= 3791, nxpk= 20, iat=  -1,1419, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1102,1103,
 &end
#
# 74 MET QB 95 PHE QB 5.0  (#)
 &rst
  ixpk= 3791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1=1102,1103,
 igr2=1428,1429,
 &end
#
# 74 MET QB 95 PHE HD1 4.5  (#)
 &rst
  ixpk= 3791, nxpk= 20, iat=  -1,1432, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1102,1103,
 &end
#
# 74 MET QB 95 PHE QE 4.0  (#)
 &rst
  ixpk= 3791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1102,1103,
 igr2=1434,1438,
 &end
#
# 74 MET QG 71 GLU- QG 4.2  (# 3498:20)
 &rst
  ixpk= 3498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=1105,1106,
 igr2=1056,1057,
 &end
#
# 74 MET QG 75 GLU- HA 4.2  (# 3496:20)
 &rst
  ixpk= 3496, nxpk= 20, iat=  -1,1117, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1105,1106,
 &end
#
# 74 MET QG 80 VAL QG2 5.1  (# 1283:20)
 &rst
  ixpk= 1283, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1=1105,1106,
 igr2=1192,1193,1194,
 &end
#
# 74 MET QG 94 GLN HE21 6.5  (#)
 &rst
  ixpk= 1283, nxpk= 20, iat=  -1,1419, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr1=1105,1106,
 &end
#
# 74 MET QG 98 TYR QB 4.5  (# 3498,3496:20)
 &rst
  ixpk= 3498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1105,1106,
 igr2=1479,1480,
 &end
#
# 74 MET QG 101 LYS+ QE 5.5  (# 3497:20)
 &rst
  ixpk= 3497, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1105,1106,
 igr2=1545,1546,
 &end
#
# 74 MET HE1 71 GLU- HA 5.0  (# 2189:20)
 &rst
  ixpk= 2189, nxpk= 20, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1109,1110,1111,
 &end
#
# 74 MET HE1 94 GLN HE21 6.5  (# 510:20)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1,1419, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1=1109,1110,1111,
 &end
#
# 75 GLU- HN 72 GLU- HN 4.8  (#)
 &rst
  ixpk= 510, nxpk= 20, iat=1115,1064, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 76 SER HN 75 GLU- QG 5.5  (# 1821:20)
 &rst
  ixpk= 1821, nxpk= 20, iat=1130,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1122,1123,
 &end
#
# 76 SER HN 73 LEU QB 5.5  (# 1822:10)
 &rst
  ixpk= 1822, nxpk= 10, iat=1130,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1083,1084,
 &end
#
# 76 SER HN 73 LEU HG 5.5  (# 1822:10)
 &rst
  ixpk= 1822, nxpk= 10, iat=1130,1086, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 76 SER HN 77 ALA HA 5.5  (# 1823:10)
 &rst
  ixpk= 1823, nxpk= 10, iat=1130,1143, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 76 SER HN 72 GLU- HA 4.4  (# 1826:10)
 &rst
  ixpk= 1826, nxpk= 10, iat=1130,1066, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 76 SER HN 74 MET QB 5.2  (# 1830:10)
 &rst
  ixpk= 1830, nxpk= 10, iat=1130,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1102,1103,
 &end
#
# 76 SER HN 77 ALA QB 5.5  (# 1831:10)
 &rst
  ixpk= 1831, nxpk= 10, iat=1130,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1145,1146,1147,
 &end
#
# 76 SER HN 4 ILE QD1 5.5  (#)
 &rst
  ixpk= 1831, nxpk= 10, iat=1130,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  65,  66,  67,
 &end
#
# 76 SER HA 75 GLU- QB 4.9  (#)
 &rst
  ixpk= 1831, nxpk= 10, iat=1132,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1119,1120,
 &end
#
# 77 ALA HN 2 ASP- QB 5.5  (# 2058,472:10)
 &rst
  ixpk= 2058, nxpk= 10, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  25,  26,
 &end
#
# 77 ALA HN 4 ILE QG1 4.9  (#)
 &rst
  ixpk= 2058, nxpk= 10, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=  62,  63,
 &end
#
# 77 ALA HA 4 ILE QG1 5.3  (#)
 &rst
  ixpk= 2058, nxpk= 10, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2=  62,  63,
 &end
#
# 77 ALA QB 3 ILE HN 4.6  (#)
 &rst
  ixpk= 2058, nxpk= 10, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1145,1146,1147,
 &end
#
# 120 PHE HD1 11 THR MG2 5.5  (#)
 &rst
  ixpk= 2058, nxpk= 10, iat=1834,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 159, 160, 161,
 &end
#
# 42 SER HN 42 SER HA 2.9  (#)
 &rst
  ixpk= 2058, nxpk= 10, iat= 618, 620, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 42 SER HN 66 SER HB+ 4.5  (#)
 &rst
  ixpk= 2058, nxpk= 10, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 984, 985,
 &end
#
# 42 SER HN 67 SER HN 5.5  (#)
 &rst
  ixpk= 2058, nxpk= 10, iat= 618, 991, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 67 SER HA 43 PRO HD+ 3.5  (#4994:20)
 &rst
  ixpk= 2058, nxpk= 10, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 630, 631,
 &end
#
# 48 THR MG 121 GLY HN 4.8  (#)
 &rst
  ixpk= 2058, nxpk= 10, iat=  -1,1846, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 702, 703, 704,
 &end
#
# 48 THR MG 121 GLY HA+ 5.5  (#)
 &rst
  ixpk= 2058, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 702, 703, 704,
 igr2=1848,1849,
 &end
#
# 46 LYS HN 45 GLY HA+ 2.8  (# 702:10)
 &rst
  ixpk= 702, nxpk= 10, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 659, 660,
 &end
#
# 46 LYS HN 45 GLY HA- 2.8  (# 703:10)
 &rst
  ixpk= 703, nxpk= 10, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 659, 660,
 &end
#
# 46 LYS HN 45 GLY HN 4.8  (#)
 &rst
  ixpk= 703, nxpk= 10, iat= 664, 657, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 15 PRO HB+ 47 ALA HN 5.5  (#)
 &rst
  ixpk= 703, nxpk= 10, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 220, 221,
 &end
#
# 113 HIS HB+ 107 LEU HB+ 5.5  (#)
 &rst
  ixpk= 703, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1733,1734,
 igr2=1649,1650,
 &end
#
# 115 ASP HN 116 VAL HN 4.8  (#)
 &rst
  ixpk= 703, nxpk= 10, iat=1753,1765, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 113 HIS HA 113 HIS HE1 5.5  (# 2318:20)
 &rst
  ixpk= 2318, nxpk= 20, iat=1731,1739, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 113 HIS HA 114 GLY HA+ 4.7  (# 2320:20)
 &rst
  ixpk= 2320, nxpk= 20, iat=1731,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2=1748,1749,
 &end
#
# 113 HIS HN 114 GLY HA+ 5.5  (#)
 &rst
  ixpk= 2320, nxpk= 20, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1748,1749,
 &end
#
# 114 GLY HA+ 106 LYS HB+ 5.5  (# 2326:20)
 &rst
  ixpk= 2326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1748,1749,
 igr2=1627,1628,
 &end
#
# 114 GLY HA+ 106 LYS HD- 5.5  (# 2325:20)
 &rst
  ixpk= 2325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1748,1749,
 igr2=1633,1634,
 &end
#
# 114 GLY HA+ 106 LYS HG+ 5.5  (# 2327:20)
 &rst
  ixpk= 2327, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1748,1749,
 igr2=1630,1631,
 &end
#
# 114 GLY HA+ 110 THR MG2 5.5  (# 2327:20)
 &rst
  ixpk= 2327, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1748,1749,
 igr2=1703,1704,1705,
 &end
#
# 114 GLY HA+ 115 ASP HN 2.6  (# 641:20 445:10)
 &rst
  ixpk= 641, nxpk= 20, iat=  -1,1753, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1=1748,1749,
 &end
#
# 115 ASP HN 106 LYS HG+ 5.5  (# 444:10)
 &rst
  ixpk= 444, nxpk= 10, iat=1753,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1630,1631,
 &end
#
# 112 SER HN 111 GLY HA- 3.5  (# 1449:10)
 &rst
  ixpk= 1449, nxpk= 10, iat=1718,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1713,1714,
 &end
#
# 111 GLY HA- 110 THR HN 4.6  (# 4435:20)
 &rst
  ixpk= 4435, nxpk= 20, iat=  -1,1697, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1713,1714,
 &end
#
# 8 THR HA 9 GLY HA+ 4.5  (# 4269:20)
 &rst
  ixpk= 4269, nxpk= 20, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 134, 135,
 &end
#
# 9 GLY HA+ 9 GLY HN 2.2  (# 538:20)
 &rst
  ixpk= 538, nxpk= 20, iat=  -1, 132, r1= 1.30, r2= 1.80, r3= 2.47, r4= 2.97,
 igr1= 134, 135,
 &end
#
# 10 ASN HA 7 CYS HN 4.4  (# 2113:10)
 &rst
  ixpk= 2113, nxpk= 10, iat= 141, 107, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
# 116 VAL HN 83 MET HB+ 5.0  (#)
 &rst
  ixpk= 2113, nxpk= 10, iat=1765,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1231,1232,
 &end
#
# 116 VAL HN 83 MET HG+ 5.5  (#)
 &rst
  ixpk= 2113, nxpk= 10, iat=1765,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1234,1235,
 &end
#
#  103 PHE  QD          103 PHE  HB-         5.50    (#      1:20  Unique         2.40, 3.08 A)
 &rst
  ixpk= 1, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1578,1586,
 igr2=1574,1575,
 &end
#
#   30 LEU  HN           30 LEU  HB+         5.50    (#      2:20  Unique         2.14, 2.74 A)
 &rst
  ixpk= 2, nxpk= 20, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 445, 446,
 &end
#
#   30 LEU  HN           30 LEU  HB-         5.50    (#      3:20  Unique         2.14, 2.74 A)
 &rst
  ixpk= 3, nxpk= 20, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 445, 446,
 &end
#
#   99 ARG  HN           99 ARG  HD+         5.50    (#      5:20  Unique         4.20, 5.06 A)
 &rst
  ixpk= 5, nxpk= 20, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1506,1507,
 &end
#
#   27 ARG  HN           27 ARG  HD+         7.00    (#      6:20  Unique         2.73, 4.41 A)
 &rst
  ixpk= 6, nxpk= 20, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 405, 406,
 &end
#
#    2 ASP  HN            2 ASP  HB+         4.50    (#      8:20  Unique         2.64, 3.11 A)
 &rst
  ixpk= 8, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  25,  26,
 &end
#
#   78 ASP  HN            2 ASP  HB+         4.50    (#      9:20  Unique         2.39, 3.42 A)
 &rst
  ixpk= 9, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  25,  26,
 &end
#
#    2 ASP  HA            2 ASP  HB+         4.50    (#     10:20  Unique         2.39, 2.73 A)
 &rst
  ixpk= 10, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  25,  26,
 &end
#
#    2 ASP  HN            2 ASP  HB-         5.50    (#     11:20  Unique         2.64, 3.11 A)
 &rst
  ixpk= 11, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  25,  26,
 &end
#
#    0 AMB  20-2:12       0 AMB  20-1:12     5.50    (#     12:20  Double Ambig)
 &rst
  ixpk= 12, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1753,  33,
 igr2=1757,1758,  25,  26,1636,1637,
 &end
#
#   98 TYR  QD          101 LYS  HE-         5.50    (#     13:20  Unique         4.68, 6.67 A)
 &rst
  ixpk= 13, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1483,1492,
 igr2=1545,1546,
 &end
#
#  117 LEU  HN          117 LEU  HB+         4.50    (#     14:20  Unique         2.20, 2.67 A)
 &rst
  ixpk= 14, nxpk= 20, iat=1781,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1785,1786,
 &end
#
#  117 LEU  HN          117 LEU  HB-         5.50    (#     15:20  Unique         2.20, 2.67 A)
 &rst
  ixpk= 15, nxpk= 20, iat=1781,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1785,1786,
 &end
#
#    0 AMB  20-2:16       0 AMB  20-1:16     4.50    (#     16:20  Double Ambig)
 &rst
  ixpk= 16, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1079,1098,
 igr2=1083,1084,1083,1084,
 &end
#
#    0 AMB  20-2:17      73 LEU  HB-         5.50    (#     17:20  Single Ambig)
 &rst
  ixpk= 17, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1079,1098,
 igr2=1083,1084,
 &end
#
#  118 ASP  HN          118 ASP  HB+         5.50    (#     18:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 18, nxpk= 20, iat=1800,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1804,1805,
 &end
#
#  145 LEU  HN          145 LEU  HB+         5.50    (#     19:20  Unique         2.39, 3.09 A)
 &rst
  ixpk= 19, nxpk= 20, iat=2242,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2246,2247,
 &end
#
#  145 LEU  HN          145 LEU  HB-         5.50    (#     20:20  Unique         2.39, 3.09 A)
 &rst
  ixpk= 20, nxpk= 20, iat=2242,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2246,2247,
 &end
#
#    3 ILE  HN            3 ILE  HB          4.50    (#     22:20  Unique         2.63, 2.69 A)
 &rst
  ixpk= 22, nxpk= 20, iat=  33,  37, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:23       0 AMB  20-1:23     5.50    (#     23:20  Double Ambig)
 &rst
  ixpk= 23, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=2317,2305,
 igr2=2309,2310,2309,2310,
 &end
#
#    0 AMB  20-2:24     148 ASP  HB-         5.50    (#     24:20  Single Ambig)
 &rst
  ixpk= 24, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2317,2305,
 igr2=2309,2310,
 &end
#
#    4 ILE  HN            4 ILE  HB          5.50    (#     25:20  Unique         2.59, 2.68 A)
 &rst
  ixpk= 25, nxpk= 20, iat=  52,  56, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  125 ASP  HN          125 ASP  HB+         5.50    (#     26:20  Unique         2.43, 2.54 A)
 &rst
  ixpk= 26, nxpk= 20, iat=1890,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1894,1895,
 &end
#
#  126 ILE  HN          125 ASP  HB+         5.50    (#     27:20  Unique         2.71, 3.48 A)
 &rst
  ixpk= 27, nxpk= 20, iat=1902,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1894,1895,
 &end
#
#  125 ASP  HN          125 ASP  HB-         4.50    (#     28:20  Unique         2.43, 2.54 A)
 &rst
  ixpk= 28, nxpk= 20, iat=1890,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1894,1895,
 &end
#
#  126 ILE  HN          125 ASP  HB-         5.50    (#     29:20  Unique         2.71, 3.48 A)
 &rst
  ixpk= 29, nxpk= 20, iat=1902,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1894,1895,
 &end
#
#   60 ILE  HN           60 ILE  HB          5.50    (#     30:20  Unique         2.48, 2.60 A)
 &rst
  ixpk= 30, nxpk= 20, iat= 885, 889, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  108 TYR  HD1         108 TYR  HB-         5.50    (#     31:20  Unique         2.35, 2.97 A)
 &rst
  ixpk= 31, nxpk= 20, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1664,1665,
 &end
#
#  100 ASP  HN          100 ASP  HB+         3.50    (#     32:20  Unique         2.39, 2.48 A)
 &rst
  ixpk= 32, nxpk= 20, iat=1520,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1524,1525,
 &end
#
#  100 ASP  HN          100 ASP  HB-         4.50    (#     33:20  Unique         2.39, 2.48 A)
 &rst
  ixpk= 33, nxpk= 20, iat=1520,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1524,1525,
 &end
#
#    0 AMB  20-2:34       0 AMB  20-1:34     3.50    (#     34:20  Double Ambig)
 &rst
  ixpk= 34, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 504,  33,1570,
 igr2= 494, 495, 494, 495,1664,1665,
 &end
#
#   33 ASN  HN           33 ASN  HB+         3.50    (#     35:20  Unique         2.75, 3.03 A)
 &rst
  ixpk= 35, nxpk= 20, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 494, 495,
 &end
#
#   33 ASN  HD2+         33 ASN  HB+         4.50    (#     36:20  Unique         2.22, 3.31 A)
 &rst
  ixpk= 36, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 499, 500,
 igr2= 494, 495,
 &end
#
#   33 ASN  HD2-         33 ASN  HB+         5.50    (#     37:20  Unique         2.22, 3.31 A)
 &rst
  ixpk= 37, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 499, 500,
 igr2= 494, 495,
 &end
#
#    2 ASP  HA           33 ASN  HB+         4.50    (#     38:20  Unique         2.49, 3.41 A)
 &rst
  ixpk= 38, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 494, 495,
 &end
#
#   33 ASN  HA           33 ASN  HB+         3.00    (#     39:20  Unique         2.50, 2.80 A)
 &rst
  ixpk= 39, nxpk= 20, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 494, 495,
 &end
#
#   24 ILE  HN           24 ILE  HB          5.50    (#     40:20  Unique         2.32, 2.38 A)
 &rst
  ixpk= 40, nxpk= 20, iat= 351, 355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 ALA  HN           24 ILE  HB          5.50    (#     41:20  Unique         2.84, 2.93 A)
 &rst
  ixpk= 41, nxpk= 20, iat= 370, 355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  132 ASP  HN          132 ASP  HB+         4.50    (#     42:20  Unique         2.42, 2.53 A)
 &rst
  ixpk= 42, nxpk= 20, iat=2019,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2023,2024,
 &end
#
#   98 TYR  QD           98 TYR  HB+         5.50    (#     43:20  Unique         2.49, 3.11 A)
 &rst
  ixpk= 43, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1483,1492,
 igr2=1479,1480,
 &end
#
#    0 AMB  20-2:46       0 AMB  20-1:46     4.50    (#     46:20  Double Ambig)
 &rst
  ixpk= 46, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1834,1842, 314,
 igr2=1830,1831, 302, 303,
 &end
#
#   21 PHE  HN           21 PHE  HB+         5.50    (#     47:20  Unique         2.49, 2.67 A)
 &rst
  ixpk= 47, nxpk= 20, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 302, 303,
 &end
#
#   98 TYR  QD            0 AMB  20-1:48     3.50    (#     48:20  Single Ambig)
 &rst
  ixpk= 48, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1483,1492,
 igr2=1479,1480,1428,1429,
 &end
#
#   21 PHE  HD2          21 PHE  HB-         5.50    (#     49:20  Unique         2.48, 3.10 A)
 &rst
  ixpk= 49, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 302, 303,
 &end
#
#   94 GLN  HN           95 PHE  HB-         4.50    (#     50:20  Unique         4.65, 5.37 A)
 &rst
  ixpk= 50, nxpk= 20, iat=1407,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1428,1429,
 &end
#
#   95 PHE  QD            0 AMB  20-1:51     4.50    (#     51:20  Single Ambig)
 &rst
  ixpk= 51, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1432,1440,
 igr2=1428,1429,1479,1480,
 &end
#
#   95 PHE  QD           95 PHE  HB-         3.50    (#     52:20  Unique         2.42, 3.13 A)
 &rst
  ixpk= 52, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1432,1440,
 igr2=1428,1429,
 &end
#
#   40 PHE  HA           40 PHE  HB+         3.50    (#     53:20  Unique         2.43, 2.75 A)
 &rst
  ixpk= 53, nxpk= 20, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 592, 593,
 &end
#
#   95 PHE  HA           95 PHE  HB+         5.50    (#     54:20  Unique         2.49, 2.77 A)
 &rst
  ixpk= 54, nxpk= 20, iat=1426,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1428,1429,
 &end
#
#   40 PHE  QD           40 PHE  HB+         4.50    (#     55:20  Unique         2.34, 3.09 A)
 &rst
  ixpk= 55, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 596, 604,
 igr2= 592, 593,
 &end
#
#   40 PHE  QD           40 PHE  HB-         5.50    (#     56:20  Unique         2.34, 3.09 A)
 &rst
  ixpk= 56, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 596, 604,
 igr2= 592, 593,
 &end
#
#   92 ALA  HN           91 ILE  HB          5.50    (#     57:20  Unique         2.48, 2.60 A)
 &rst
  ixpk= 57, nxpk= 20, iat=1386,1371, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 PHE  HN           56 PHE  HB-         4.50    (#     58:20  Unique         2.27, 2.61 A)
 &rst
  ixpk= 58, nxpk= 20, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 815, 816,
 &end
#
#   56 PHE  QE           56 PHE  HB-         5.50    (#     59:20  Unique         4.69, 5.12 A)
 &rst
  ixpk= 59, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 821, 825,
 igr2= 815, 816,
 &end
#
#   56 PHE  HN           56 PHE  HB+         4.50    (#     60:20  Unique         2.27, 2.61 A)
 &rst
  ixpk= 60, nxpk= 20, iat= 811,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 815, 816,
 &end
#
#   56 PHE  QE           56 PHE  HB+         5.50    (#     61:20  Unique         4.69, 5.12 A)
 &rst
  ixpk= 61, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 821, 825,
 igr2= 815, 816,
 &end
#
#   63 ASN  HA           63 ASN  HB+         4.50    (#     62:20  Unique         2.53, 2.84 A)
 &rst
  ixpk= 62, nxpk= 20, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 937, 938,
 &end
#
#   63 ASN  HA           63 ASN  HB-         3.50    (#     63:20  Unique         2.53, 2.84 A)
 &rst
  ixpk= 63, nxpk= 20, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 937, 938,
 &end
#
#   91 ILE  HN           91 ILE  HB          5.50    (#     64:20  Unique         2.36, 2.41 A)
 &rst
  ixpk= 64, nxpk= 20, iat=1367,1371, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90 ILE  HN           90 ILE  HB          5.50    (#     65:20  Unique         2.42, 2.50 A)
 &rst
  ixpk= 65, nxpk= 20, iat=1348,1352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  124 ILE  HN          124 ILE  HB          5.50    (#     66:20  Unique         2.21, 2.45 A)
 &rst
  ixpk= 66, nxpk= 20, iat=1871,1875, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  133 GLU  HN            0 AMB  20-1:67     5.50    (#     67:20  Single Ambig)
 &rst
  ixpk= 67, nxpk= 20, iat=2031,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=2038,2039,2087,2088,
 &end
#
#    0 AMB  20-2:68       0 AMB  20-1:68     4.50    (#     68:20  Double Ambig)
 &rst
  ixpk= 68, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1049,2065,
 igr2=1071,1072,2072,2073,
 &end
#
#  136 GLU  HN          135 GLU  HG+         5.50    (#     69:20  Unique         3.72, 4.37 A)
 &rst
  ixpk= 69, nxpk= 20, iat=2080,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2072,2073,
 &end
#
#   72 GLU  HN           72 GLU  HG+         4.50    (#     70:20  Unique         2.02, 2.64 A)
 &rst
  ixpk= 70, nxpk= 20, iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1071,1072,
 &end
#
#    6 VAL  HN            6 VAL  HB          5.50    (#     71:20  Unique         3.34, 3.45 A)
 &rst
  ixpk= 71, nxpk= 20, iat=  91,  95, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   94 GLN  HE2+         71 GLU  HG+         5.50    (#     72:20  Unique         5.95, 7.27 A)
 &rst
  ixpk= 72, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1419,1420,
 igr2=1056,1057,
 &end
#
#  126 ILE  HN          126 ILE  HB          4.50    (#     73:20  Unique         2.58, 2.61 A)
 &rst
  ixpk= 73, nxpk= 20, iat=1902,1906, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95 PHE  HD2          71 GLU  HG+         5.50    (#     74:20  Unique         3.42, 4.33 A)
 &rst
  ixpk= 74, nxpk= 20, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1056,1057,
 &end
#
#    0 AMB  20-2:75       0 AMB  20-1:75     5.50    (#     75:20  Double Ambig)
 &rst
  ixpk= 75, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1440, 846,
 igr2=1056,1057, 838, 839,
 &end
#
#   94 GLN  HE2+         71 GLU  HG-         5.50    (#     76:20  Unique         5.95, 7.27 A)
 &rst
  ixpk= 76, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1419,1420,
 igr2=1056,1057,
 &end
#
#  127 TYR  HN          126 ILE  HB          5.50    (#     77:20  Unique         2.57, 2.68 A)
 &rst
  ixpk= 77, nxpk= 20, iat=1921,1906, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 GLU  HN           57 GLU  HG+         5.50    (#     78:20  Unique         2.55, 4.18 A)
 &rst
  ixpk= 78, nxpk= 20, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 838, 839,
 &end
#
#    0 AMB  20-2:81       0 AMB  20-1:81     5.50    (#     81:20  Double Ambig)
 &rst
  ixpk= 81, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1729,1645,
 igr2=1652,1653,1652,1653,
 &end
#
#  104 THR  HN          107 GLU  HG+         4.50    (#     82:20  Unique         3.45, 3.96 A)
 &rst
  ixpk= 82, nxpk= 20, iat=1590,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1652,1653,
 &end
#
#    0 AMB  20-2:83     107 GLU  HG-         4.50    (#     83:20  Single Ambig)
 &rst
  ixpk= 83, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1660,1729,
 igr2=1652,1653,
 &end
#
#  103 PHE  QD          107 GLU  HG-         5.50    (#     84:20  Unique         2.49, 5.64 A)
 &rst
  ixpk= 84, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1578,1586,
 igr2=1652,1653,
 &end
#
#    0 AMB  20-2:85       0 AMB  20-1:85     4.50    (#     85:20  Double Ambig)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 782, 767, 811,
 igr2= 774, 775, 774, 775, 774, 775,
 &end
#
#   26 GLU  HN           26 GLU  HG+         4.50    (#     86:20  Unique         2.54, 4.35 A)
 &rst
  ixpk= 86, nxpk= 20, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 387, 388,
 &end
#
#    0 AMB  20-2:88       0 AMB  20-1:88     4.50    (#     88:20  Double Ambig)
 &rst
  ixpk= 88, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 434,2261, 792,
 igr2= 426, 427, 426, 427, 387, 388, 774, 775,
 &end
#
#   75 GLU  HN           75 GLU  HG-         5.50    (#     89:20  Unique         2.60, 3.27 A)
 &rst
  ixpk= 89, nxpk= 20, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1122,1123,
 &end
#
#    0 AMB  20-2:91      53 GLU  HG-         4.50    (#     91:20  Single Ambig)
 &rst
  ixpk= 91, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 782, 767, 811,
 igr2= 774, 775,
 &end
#
#   28 GLU  HN           28 GLU  HG+         4.50    (#     92:20  Unique         2.50, 3.59 A)
 &rst
  ixpk= 92, nxpk= 20, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 426, 427,
 &end
#
#   76 SER  HN           75 GLU  HG-         5.50    (#     93:20  Unique         4.66, 5.05 A)
 &rst
  ixpk= 93, nxpk= 20, iat=1130,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1122,1123,
 &end
#
#   75 GLU  HN           75 GLU  HG+         5.50    (#     95:20  Unique         2.60, 3.27 A)
 &rst
  ixpk= 95, nxpk= 20, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1122,1123,
 &end
#
#   28 GLU  HN           28 GLU  HG-         5.50    (#     96:20  Unique         2.50, 3.59 A)
 &rst
  ixpk= 96, nxpk= 20, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 426, 427,
 &end
#
#   36 SER  HN           35 ARG  HB+         5.50    (#     97:20  Unique         2.16, 2.95 A)
 &rst
  ixpk= 97, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 524, 525,
 &end
#
#   35 ARG  HA           35 ARG  HB+         5.50    (#     98:20  Unique         2.36, 2.70 A)
 &rst
  ixpk= 98, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 524, 525,
 &end
#
#   36 SER  HN           35 ARG  HB-         5.50    (#     99:20  Unique         2.16, 2.95 A)
 &rst
  ixpk= 99, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 524, 525,
 &end
#
#   35 ARG  HA           35 ARG  HB-         5.50    (#    100:20  Unique         2.36, 2.70 A)
 &rst
  ixpk= 100, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 524, 525,
 &end
#
#   33 ASN  HN           32 VAL  HB          4.50    (#    101:20  Unique         2.23, 2.29 A)
 &rst
  ixpk= 101, nxpk= 20, iat= 490, 478, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 LYS  HA           46 LYS  HB+         4.50    (#    103:20  Unique         2.36, 2.46 A)
 &rst
  ixpk= 103, nxpk= 20, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 668, 669,
 &end
#
#   46 LYS  HN           46 LYS  HB+         5.50    (#    104:20  Unique         2.66, 3.60 A)
 &rst
  ixpk= 104, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 668, 669,
 &end
#
#   47 ALA  HN           46 LYS  HB+         5.50    (#    105:20  Unique         2.18, 3.20 A)
 &rst
  ixpk= 105, nxpk= 20, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 668, 669,
 &end
#
#   46 LYS  HN           46 LYS  HB-         5.50    (#    106:20  Unique         2.66, 3.60 A)
 &rst
  ixpk= 106, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 668, 669,
 &end
#
#   46 LYS  HA           46 LYS  HB-         5.50    (#    107:20  Unique         2.36, 2.46 A)
 &rst
  ixpk= 107, nxpk= 20, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 668, 669,
 &end
#
#    0 AMB  20-2:108     34 VAL  HB          4.50    (#    108:20  Single Ambig)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 504,  33,
 &end
#
#   34 VAL  HA           34 VAL  HB          5.50    (#    109:20  Unique         2.33, 2.38 A)
 &rst
  ixpk= 109, nxpk= 20, iat= 506, 508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:110      0 AMB  20-1:110    3.50    (#    110:20  Double Ambig)
 &rst
  ixpk= 110, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1976,1977,2157,
 igr2=1971,1972,2164,2165,
 &end
#
#    0 AMB  20-2:111      0 AMB  20-1:111    3.50    (#    111:20  Double Ambig)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1976,1977,2157,
 igr2=1971,1972,2164,2165,
 &end
#
#  129 GLN  HN          129 GLN  HG+         4.50    (#    112:20  Unique         2.43, 3.14 A)
 &rst
  ixpk= 112, nxpk= 20, iat=1964,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1971,1972,
 &end
#
#  144 GLN  HN          144 GLN  HG-         3.50    (#    113:20  Unique         2.30, 3.00 A)
 &rst
  ixpk= 113, nxpk= 20, iat=2225,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2232,2233,
 &end
#
#  144 GLN  HE2+        144 GLN  HG-         5.50    (#    114:20  Unique         2.25, 3.40 A)
 &rst
  ixpk= 114, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2237,2238,
 igr2=2232,2233,
 &end
#
#  144 GLN  HN          144 GLN  HG+         3.50    (#    115:20  Unique         2.30, 3.00 A)
 &rst
  ixpk= 115, nxpk= 20, iat=2225,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2232,2233,
 &end
#
#  129 GLN  HN          129 GLN  HG-         4.50    (#    116:20  Unique         2.43, 3.14 A)
 &rst
  ixpk= 116, nxpk= 20, iat=1964,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1971,1972,
 &end
#
#  144 GLN  HE2+        144 GLN  HG+         5.50    (#    117:20  Unique         2.25, 3.40 A)
 &rst
  ixpk= 117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2237,2238,
 igr2=2232,2233,
 &end
#
#  144 GLN  HE2-        144 GLN  HG+         5.50    (#    118:20  Unique         2.25, 3.40 A)
 &rst
  ixpk= 118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2237,2238,
 igr2=2232,2233,
 &end
#
#   65 VAL  HN           65 VAL  HB          4.50    (#    119:20  Unique         2.54, 2.70 A)
 &rst
  ixpk= 119, nxpk= 20, iat= 964, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89 GLN  HN           89 GLN  HG+         4.50    (#    120:20  Unique         2.38, 3.16 A)
 &rst
  ixpk= 120, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1338,1339,
 &end
#
#   89 GLN  HN           89 GLN  HG-         4.50    (#    121:20  Unique         2.38, 3.16 A)
 &rst
  ixpk= 121, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1338,1339,
 &end
#
#   94 GLN  HN           94 GLN  HG+         4.50    (#    122:20  Unique         2.24, 2.67 A)
 &rst
  ixpk= 122, nxpk= 20, iat=1407,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1414,1415,
 &end
#
#   94 GLN  HE2+         94 GLN  HG+         5.50    (#    123:20  Unique         2.21, 3.21 A)
 &rst
  ixpk= 123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1419,1420,
 igr2=1414,1415,
 &end
#
#   94 GLN  HE2+         94 GLN  HG-         5.50    (#    124:20  Unique         2.21, 3.21 A)
 &rst
  ixpk= 124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1419,1420,
 igr2=1414,1415,
 &end
#
#   94 GLN  HN           94 GLN  HG-         5.50    (#    125:20  Unique         2.24, 2.67 A)
 &rst
  ixpk= 125, nxpk= 20, iat=1407,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1414,1415,
 &end
#
#  110 THR  HN          109 VAL  HB          5.50    (#    126:20  Unique         2.09, 2.76 A)
 &rst
  ixpk= 126, nxpk= 20, iat=1697,1685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  109 VAL  HN          109 VAL  HB          4.50    (#    127:20  Unique         2.53, 2.57 A)
 &rst
  ixpk= 127, nxpk= 20, iat=1681,1685, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  146 LYS  HN          146 LYS  HB+         3.00    (#    128:20  Unique         2.15, 2.87 A)
 &rst
  ixpk= 128, nxpk= 20, iat=2261,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2265,2266,
 &end
#
#   22 LYS  HN           22 LYS  HB+         5.50    (#    129:20  Unique         2.32, 2.99 A)
 &rst
  ixpk= 129, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 322, 323,
 &end
#
#   23 SER  HN           22 LYS  HB+         5.50    (#    130:20  Unique         2.57, 3.06 A)
 &rst
  ixpk= 130, nxpk= 20, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 322, 323,
 &end
#
#   23 SER  HN           22 LYS  HB-         5.50    (#    131:20  Unique         2.57, 3.06 A)
 &rst
  ixpk= 131, nxpk= 20, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 322, 323,
 &end
#
#   22 LYS  HN           22 LYS  HB-         4.50    (#    132:20  Unique         2.32, 2.99 A)
 &rst
  ixpk= 132, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 322, 323,
 &end
#
#    0 AMB  20-2:133      0 AMB  20-1:133    3.50    (#    133:20  Double Ambig)
 &rst
  ixpk= 133, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=2261,1765, 608,
 igr2=2265,2266,1769,1009,1010,
 &end
#
#   80 VAL  HN           80 VAL  HB          5.50    (#    134:20  Unique         2.50, 2.67 A)
 &rst
  ixpk= 134, nxpk= 20, iat=1182,1186, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  102 VAL  HA           80 VAL  HB          3.50    (#    135:20  Unique         2.11, 2.17 A)
 &rst
  ixpk= 135, nxpk= 20, iat=1556,1186, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  148 ASP  HN          147 LYS  HB+         5.50    (#    136:20  Unique         2.42, 3.37 A)
 &rst
  ixpk= 136, nxpk= 20, iat=2305,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2287,2288,
 &end
#
#   69 LEU  HN           68 PRO  HB-         5.50    (#    137:20  Unique         2.86, 3.37 A)
 &rst
  ixpk= 137, nxpk= 20, iat=1016,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1009,1010,
 &end
#
#  144 GLN  HN          143 LYS  HB-         4.50    (#    138:20  Unique         2.59, 3.17 A)
 &rst
  ixpk= 138, nxpk= 20, iat=2225,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2207,2208,
 &end
#
#  143 LYS  HN          143 LYS  HB-         4.50    (#    139:20  Unique         2.21, 3.00 A)
 &rst
  ixpk= 139, nxpk= 20, iat=2203,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2207,2208,
 &end
#
#  102 VAL  HA          102 VAL  HB          4.50    (#    140:20  Unique         2.17, 2.86 A)
 &rst
  ixpk= 140, nxpk= 20, iat=1556,1558, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  144 GLN  HN          143 LYS  HB+         4.50    (#    141:20  Unique         2.59, 3.17 A)
 &rst
  ixpk= 141, nxpk= 20, iat=2225,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2207,2208,
 &end
#
#  143 LYS  HN          143 LYS  HB+         3.50    (#    142:20  Unique         2.21, 3.00 A)
 &rst
  ixpk= 142, nxpk= 20, iat=2203,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2207,2208,
 &end
#
#  102 VAL  HN          102 VAL  HB          4.50    (#    143:20  Unique         2.64, 2.91 A)
 &rst
  ixpk= 143, nxpk= 20, iat=1554,1558, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    2 ASP  HN            1 MET  HG+         5.50    (#    144:20  Unique         2.92, 3.85 A)
 &rst
  ixpk= 144, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  11,  12,
 &end
#
#   52 VAL  HN           52 VAL  HB          4.50    (#    145:20  Unique         2.09, 2.10 A)
 &rst
  ixpk= 145, nxpk= 20, iat= 751, 755, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:146     52 VAL  HB          4.50    (#    146:20  Single Ambig)
 &rst
  ixpk= 146, nxpk= 20, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 767, 782,
 &end
#
#  150 ARG  HN          150 ARG  HB+         5.50    (#    147:20  Unique         2.26, 3.05 A)
 &rst
  ixpk= 147, nxpk= 20, iat=2341,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2345,2346,
 &end
#
#  150 ARG  HN          150 ARG  HB-         4.50    (#    148:20  Unique         2.26, 3.05 A)
 &rst
  ixpk= 148, nxpk= 20, iat=2341,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2345,2346,
 &end
#
#  139 ARG  HN          139 ARG  HB+         4.50    (#    149:20  Unique         2.33, 2.76 A)
 &rst
  ixpk= 149, nxpk= 20, iat=2133,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2137,2138,
 &end
#
#    0 AMB  20-2:150      0 AMB  20-1:150    4.50    (#    150:20  Double Ambig)
 &rst
  ixpk= 150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 254,2317,
 igr2= 258, 259,2321,2322,
 &end
#
#  139 ARG  HN          139 ARG  HB-         5.50    (#    151:20  Unique         2.33, 2.76 A)
 &rst
  ixpk= 151, nxpk= 20, iat=2133,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2137,2138,
 &end
#
#  149 ARG  HN          149 ARG  HB-         5.50    (#    152:20  Unique         2.27, 2.91 A)
 &rst
  ixpk= 152, nxpk= 20, iat=2317,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2321,2322,
 &end
#
#   28 GLU  HN           28 GLU  HB+         4.50    (#    153:20  Unique         2.29, 2.81 A)
 &rst
  ixpk= 153, nxpk= 20, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 423, 424,
 &end
#
#   57 GLU  HN           57 GLU  HB+         3.50    (#    154:20  Unique         2.24, 2.57 A)
 &rst
  ixpk= 154, nxpk= 20, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 835, 836,
 &end
#
#  133 GLU  HN          133 GLU  HB+         4.50    (#    155:20  Unique         2.38, 2.53 A)
 &rst
  ixpk= 155, nxpk= 20, iat=2031,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2035,2036,
 &end
#
#  133 GLU  HN          133 GLU  HB-         4.50    (#    156:20  Unique         2.38, 2.53 A)
 &rst
  ixpk= 156, nxpk= 20, iat=2031,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2035,2036,
 &end
#
#   28 GLU  HN           27 ARG  HB+         3.50    (#    157:20  Unique         2.55, 3.46 A)
 &rst
  ixpk= 157, nxpk= 20, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 399, 400,
 &end
#
#   27 ARG  HN           27 ARG  HB+         3.00    (#    158:20  Unique         2.38, 3.10 A)
 &rst
  ixpk= 158, nxpk= 20, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 399, 400,
 &end
#
#    0 AMB  20-2:159      0 AMB  20-1:159    5.50    (#    159:20  Double Ambig)
 &rst
  ixpk= 159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1= 868, 434, 792,1396,
 igr2= 835, 836, 399, 400, 771, 772,1500,1501,
 &end
#
#   99 ARG  HN           99 ARG  HB-         4.50    (#    160:20  Unique         2.32, 2.60 A)
 &rst
  ixpk= 160, nxpk= 20, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1500,1501,
 &end
#
#   28 GLU  HN           28 GLU  HB-         4.50    (#    161:20  Unique         2.29, 2.81 A)
 &rst
  ixpk= 161, nxpk= 20, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 423, 424,
 &end
#
#   99 ARG  HN           99 ARG  HB+         4.50    (#    162:20  Unique         2.32, 2.60 A)
 &rst
  ixpk= 162, nxpk= 20, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1500,1501,
 &end
#
#   95 PHE  HN           94 GLN  HB-         5.50    (#    163:20  Unique         3.87, 4.02 A)
 &rst
  ixpk= 163, nxpk= 20, iat=1424,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1411,1412,
 &end
#
#   95 PHE  QD           94 GLN  HB-         5.50    (#    164:20  Unique         3.66, 5.65 A)
 &rst
  ixpk= 164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1432,1440,
 igr2=1411,1412,
 &end
#
#   94 GLN  HN           94 GLN  HB-         4.50    (#    165:20  Unique         2.81, 3.27 A)
 &rst
  ixpk= 165, nxpk= 20, iat=1407,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1411,1412,
 &end
#
#   94 GLN  HN           94 GLN  HB+         4.50    (#    166:20  Unique         2.81, 3.27 A)
 &rst
  ixpk= 166, nxpk= 20, iat=1407,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1411,1412,
 &end
#
#    0 AMB  20-2:167      0 AMB  20-1:167    3.50    (#    167:20  Double Ambig)
 &rst
  ixpk= 167, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 767,2046, 782,
 igr2= 771, 772,2035,2036, 771, 772,
 &end
#
#    0 AMB  20-2:168      0 AMB  20-1:168    4.50    (#    168:20  Double Ambig)
 &rst
  ixpk= 168, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 318, 178,
 igr2= 328, 329, 185, 186,
 &end
#
#  135 GLU  HN          135 GLU  HB+         3.50    (#    169:20  Unique         2.45, 2.55 A)
 &rst
  ixpk= 169, nxpk= 20, iat=2065,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2069,2070,
 &end
#
#    0 AMB  20-2:170      0 AMB  20-1:170    3.50    (#    170:20  Double Ambig)
 &rst
  ixpk= 170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 767, 782,1520,
 igr2= 771, 772,1500,1501,
 &end
#
#  136 GLU  HN          135 GLU  HB+         3.00    (#    172:20  Unique         2.54, 3.27 A)
 &rst
  ixpk= 172, nxpk= 20, iat=2080,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2069,2070,
 &end
#
#   71 GLU  HN           71 GLU  HB+         4.50    (#    173:20  Unique         2.26, 2.45 A)
 &rst
  ixpk= 173, nxpk= 20, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1053,1054,
 &end
#
#   95 PHE  HD2          71 GLU  HB+         4.50    (#    174:20  Unique         2.89, 3.91 A)
 &rst
  ixpk= 174, nxpk= 20, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1053,1054,
 &end
#
#  137 LEU  HN          136 GLU  HB+         4.50    (#    175:20  Unique         2.61, 3.28 A)
 &rst
  ixpk= 175, nxpk= 20, iat=2095,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2084,2085,
 &end
#
#    0 AMB  20-2:176      0 AMB  20-1:176    3.00    (#    176:20  Double Ambig)
 &rst
  ixpk= 176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2080, 380, 395,
 igr2=2084,2085, 384, 385, 384, 385,
 &end
#
#   71 GLU  HN           71 GLU  HB-         5.50    (#    177:20  Unique         2.26, 2.45 A)
 &rst
  ixpk= 177, nxpk= 20, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1053,1054,
 &end
#
#   72 GLU  HN           71 GLU  HB-         4.50    (#    178:20  Unique         2.83, 3.42 A)
 &rst
  ixpk= 178, nxpk= 20, iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1053,1054,
 &end
#
#   75 GLU  HN           75 GLU  HB+         3.50    (#    179:20  Unique         2.28, 2.95 A)
 &rst
  ixpk= 179, nxpk= 20, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1119,1120,
 &end
#
#   76 SER  HN           75 GLU  HB+         5.50    (#    180:20  Unique         2.81, 3.40 A)
 &rst
  ixpk= 180, nxpk= 20, iat=1130,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1119,1120,
 &end
#
#   75 GLU  HN           75 GLU  HB-         3.50    (#    181:20  Unique         2.28, 2.95 A)
 &rst
  ixpk= 181, nxpk= 20, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1119,1120,
 &end
#
#   76 SER  HN           75 GLU  HB-         4.50    (#    182:20  Unique         2.81, 3.40 A)
 &rst
  ixpk= 182, nxpk= 20, iat=1130,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1119,1120,
 &end
#
#   55 LEU  HN           55 LEU  HG          5.50    (#    183:20  Unique         3.92, 4.00 A)
 &rst
  ixpk= 183, nxpk= 20, iat= 792, 799, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 GLU  HN           71 GLU  HB+         5.50    (#    184:20  Unique         2.83, 3.42 A)
 &rst
  ixpk= 184, nxpk= 20, iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1053,1054,
 &end
#
#    0 AMB  20-2:185      0 AMB  20-1:185    5.50    (#    185:20  Double Ambig)
 &rst
  ixpk= 185, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2203,1976,1977,
 igr2=2213,2214,1952,1953,
 &end
#
#   46 LYS  HA           46 LYS  HD+         5.50    (#    186:20  Unique         4.30, 4.93 A)
 &rst
  ixpk= 186, nxpk= 20, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 674, 675,
 &end
#
#   72 GLU  HN           72 GLU  HB+         3.50    (#    187:20  Unique         2.62, 3.12 A)
 &rst
  ixpk= 187, nxpk= 20, iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1068,1069,
 &end
#
#    0 AMB  20-2:188      0 AMB  20-1:188    4.50    (#    188:20  Double Ambig)
 &rst
  ixpk= 188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1079,1098,
 igr2=1068,1069,1068,1069,
 &end
#
#   72 GLU  HN           72 GLU  HB-         4.50    (#    189:20  Unique         2.62, 3.12 A)
 &rst
  ixpk= 189, nxpk= 20, iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1068,1069,
 &end
#
#    0 AMB  20-2:190     72 GLU  HB-         5.50    (#    190:20  Single Ambig)
 &rst
  ixpk= 190, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1079,1098,
 igr2=1068,1069,
 &end
#
#  139 ARG  HN          139 ARG  HG-         5.50    (#    191:20  Unique         2.56, 3.84 A)
 &rst
  ixpk= 191, nxpk= 20, iat=2133,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2140,2141,
 &end
#
#  144 GLN  HN          144 GLN  HB+         3.50    (#    192:20  Unique         2.42, 3.08 A)
 &rst
  ixpk= 192, nxpk= 20, iat=2225,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2229,2230,
 &end
#
#   90 ILE  HN           90 ILE  HG1+        5.50    (#    193:20  Unique         2.31, 3.07 A)
 &rst
  ixpk= 193, nxpk= 20, iat=1348,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1358,1359,
 &end
#
#  144 GLN  HN          144 GLN  HB-         3.50    (#    194:20  Unique         2.42, 3.08 A)
 &rst
  ixpk= 194, nxpk= 20, iat=2225,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2229,2230,
 &end
#
#  126 ILE  HN          126 ILE  HG1-        5.50    (#    195:20  Unique         2.10, 2.91 A)
 &rst
  ixpk= 195, nxpk= 20, iat=1902,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1912,1913,
 &end
#
#  126 ILE  HN          126 ILE  HG1+        5.50    (#    196:20  Unique         2.10, 2.91 A)
 &rst
  ixpk= 196, nxpk= 20, iat=1902,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1912,1913,
 &end
#
#  130 THR  HN          129 GLN  HB-         5.50    (#    197:20  Unique         2.62, 3.13 A)
 &rst
  ixpk= 197, nxpk= 20, iat=1981,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1968,1969,
 &end
#
#  129 GLN  HN          129 GLN  HB-         4.50    (#    198:20  Unique         2.37, 3.04 A)
 &rst
  ixpk= 198, nxpk= 20, iat=1964,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1968,1969,
 &end
#
#   89 GLN  HN           89 GLN  HB-         3.00    (#    199:20  Unique         2.34, 2.99 A)
 &rst
  ixpk= 199, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1335,1336,
 &end
#
#  129 GLN  HN          129 GLN  HB+         4.50    (#    200:20  Unique         2.37, 3.04 A)
 &rst
  ixpk= 200, nxpk= 20, iat=1964,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1968,1969,
 &end
#
#  141 LEU  HN          140 GLN  HB+         5.50    (#    204:20  Unique         2.68, 3.20 A)
 &rst
  ixpk= 204, nxpk= 20, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2161,2162,
 &end
#
#  140 GLN  HN          140 GLN  HB+         4.50    (#    205:20  Unique         2.40, 3.05 A)
 &rst
  ixpk= 205, nxpk= 20, iat=2157,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2161,2162,
 &end
#
#  141 LEU  HN          140 GLN  HB-         5.50    (#    206:20  Unique         2.68, 3.20 A)
 &rst
  ixpk= 206, nxpk= 20, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2161,2162,
 &end
#
#  140 GLN  HN          140 GLN  HB-         4.50    (#    207:20  Unique         2.40, 3.05 A)
 &rst
  ixpk= 207, nxpk= 20, iat=2157,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2161,2162,
 &end
#
#  130 THR  HN          129 GLN  HB+         5.50    (#    208:20  Unique         2.62, 3.13 A)
 &rst
  ixpk= 208, nxpk= 20, iat=1981,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1968,1969,
 &end
#
#    0 AMB  20-2:209    107 GLU  HB-         4.50    (#    209:20  Single Ambig)
 &rst
  ixpk= 209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1645,1729,
 igr2=1649,1650,
 &end
#
#   27 ARG  HN           27 ARG  HG+         4.50    (#    210:20  Unique         2.35, 3.29 A)
 &rst
  ixpk= 210, nxpk= 20, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 402, 403,
 &end
#
#   27 ARG  HN           27 ARG  HG-         4.50    (#    211:20  Unique         2.35, 3.29 A)
 &rst
  ixpk= 211, nxpk= 20, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 402, 403,
 &end
#
#    0 AMB  20-2:212      0 AMB  20-1:212    5.50    (#    212:20  Double Ambig)
 &rst
  ixpk= 212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 298,1781,2114,
 igr2= 286,1611,
 &end
#
#    0 AMB  20-2:214      0 AMB  20-1:214    5.50    (#    214:20  Double Ambig)
 &rst
  ixpk= 214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2065,1217,
 igr2= 286,1611,
 &end
#
#    0 AMB  20-2:216     73 LEU  HG          4.50    (#    216:20  Single Ambig)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1098,1079,
 &end
#
#   30 LEU  HN           30 LEU  HG          4.50    (#    217:20  Unique         3.29, 3.75 A)
 &rst
  ixpk= 217, nxpk= 20, iat= 441, 448, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:218    105 LEU  HG          5.50    (#    218:20  Single Ambig)
 &rst
  ixpk= 218, nxpk= 20, iat=  -1,1611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1765,1681,
 &end
#
#  150 ARG  HN          150 ARG  HG+         4.50    (#    219:20  Unique         1.92, 3.53 A)
 &rst
  ixpk= 219, nxpk= 20, iat=2341,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2348,2349,
 &end
#
#  138 LEU  HN          137 LEU  HG          5.50    (#    220:20  Unique         3.91, 4.02 A)
 &rst
  ixpk= 220, nxpk= 20, iat=2114,2102, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:224      0 AMB  20-1:224    4.50    (#    224:20  Double Ambig)
 &rst
  ixpk= 224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2261,2095,1681,
 igr2=2249,2102,
 &end
#
#   35 ARG  HA           35 ARG  HG+         5.50    (#    225:20  Unique         2.28, 3.44 A)
 &rst
  ixpk= 225, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 527, 528,
 &end
#
#  145 LEU  HN          145 LEU  HG          5.50    (#    226:20  Unique         2.38, 2.45 A)
 &rst
  ixpk= 226, nxpk= 20, iat=2242,2249, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  149 ARG  HN          149 ARG  HG+         5.50    (#    227:20  Unique         2.24, 4.17 A)
 &rst
  ixpk= 227, nxpk= 20, iat=2317,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2324,2325,
 &end
#
#    0 AMB  20-2:228     81 LEU  MD1         7.00    (#    228:20  Single Ambig)
 &rst
  ixpk= 228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1198,1182,1604,2174,
 igr2=1207,1208,1209,
 &end
#
#    5 PHE  QD           81 LEU  MD1         4.50    (#    229:20  Unique         3.39, 5.91 A)
 &rst
  ixpk= 229, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  79,  87,
 igr2=1207,1208,1209,
 &end
#
#   67 SER  HA           68 PRO  HG+         5.50    (#    230:20  Unique         4.59, 4.68 A)
 &rst
  ixpk= 230, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1006,1007,
 &end
#
#  145 LEU  HN          145 LEU  MD1         4.50    (#    231:20  Unique         3.78, 4.66 A)
 &rst
  ixpk= 231, nxpk= 20, iat=2242,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2251,2252,2253,
 &end
#
#   21 PHE  QE          145 LEU  MD1         5.50    (#    232:20  Unique         2.63, 4.31 A)
 &rst
  ixpk= 232, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 308, 312,
 igr2=2251,2252,2253,
 &end
#
#   21 PHE  QD          145 LEU  MD1         4.50    (#    233:20  Unique         4.39, 6.08 A)
 &rst
  ixpk= 233, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 306, 314,
 igr2=2251,2252,2253,
 &end
#
#   22 LYS  HN           22 LYS  HG-         5.50    (#    236:20  Unique         2.46, 3.17 A)
 &rst
  ixpk= 236, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 325, 326,
 &end
#
#    0 AMB  20-2:237    141 LEU  HG          5.50    (#    237:20  Single Ambig)
 &rst
  ixpk= 237, nxpk= 20, iat=  -1,2181, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 308, 312,  81,  85,
 &end
#
#   21 PHE  QD          141 LEU  HG          5.50    (#    238:20  Unique         5.58, 6.81 A)
 &rst
  ixpk= 238, nxpk= 20, iat=  -1,2181, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 306, 314,
 &end
#
#  108 TYR  QE          141 LEU  HG          5.50    (#    239:20  Unique         2.16, 4.29 A)
 &rst
  ixpk= 239, nxpk= 20, iat=  -1,2181, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1670,1675,
 &end
#
#   99 ARG  HN           99 ARG  HG+         4.50    (#    240:20  Unique         1.99, 4.10 A)
 &rst
  ixpk= 240, nxpk= 20, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1503,1504,
 &end
#
#   99 ARG  HN           99 ARG  HG-         5.50    (#    241:20  Unique         1.99, 4.10 A)
 &rst
  ixpk= 241, nxpk= 20, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1503,1504,
 &end
#
#    0 AMB  20-2:242     73 LEU  MD2         4.50    (#    242:20  Single Ambig)
 &rst
  ixpk= 242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1098,1079,
 igr2=1092,1093,1094,
 &end
#
#   70 THR  HN           73 LEU  MD2         4.50    (#    243:20  Unique         3.11, 4.17 A)
 &rst
  ixpk= 243, nxpk= 20, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1092,1093,1094,
 &end
#
#  146 LYS  HN          146 LYS  HG+         5.50    (#    244:20  Unique         2.66, 3.44 A)
 &rst
  ixpk= 244, nxpk= 20, iat=2261,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2268,2269,
 &end
#
#  143 LYS  HN          143 LYS  HG+         4.50    (#    245:20  Unique         2.39, 3.38 A)
 &rst
  ixpk= 245, nxpk= 20, iat=2203,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2210,2211,
 &end
#
#  146 LYS  HN          146 LYS  HG-         5.50    (#    246:20  Unique         2.66, 3.44 A)
 &rst
  ixpk= 246, nxpk= 20, iat=2261,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2268,2269,
 &end
#
#  143 LYS  HN          143 LYS  HG-         5.50    (#    247:20  Unique         2.39, 3.38 A)
 &rst
  ixpk= 247, nxpk= 20, iat=2203,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2210,2211,
 &end
#
#  130 THR  HN          117 LEU  MD1         5.50    (#    248:20  Unique         2.90, 4.78 A)
 &rst
  ixpk= 248, nxpk= 20, iat=1981,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1790,1791,1792,
 &end
#
#  147 LYS  HN          147 LYS  HG+         5.50    (#    249:20  Unique         2.48, 4.23 A)
 &rst
  ixpk= 249, nxpk= 20, iat=2283,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2290,2291,
 &end
#
#    0 AMB  20-2:251      0 AMB  20-1:251    4.50    (#    251:20  Double Ambig)
 &rst
  ixpk= 251, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 441, 914,
 igr2= 450, 451, 452, 801, 802, 803,
 &end
#
#   21 PHE  QE           30 LEU  MD1         5.50    (#    252:20  Unique         3.49, 5.00 A)
 &rst
  ixpk= 252, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 308, 312,
 igr2= 450, 451, 452,
 &end
#
#    0 AMB  20-2:253      0 AMB  20-1:253    5.50    (#    253:20  Double Ambig)
 &rst
  ixpk= 253, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2242, 244,
 igr2= 450, 451, 452, 801, 802, 803,
 &end
#
#  101 LYS  HN          101 LYS  HG+         5.50    (#    255:20  Unique         2.17, 2.95 A)
 &rst
  ixpk= 255, nxpk= 20, iat=1532,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1539,1540,
 &end
#
#    0 AMB  20-2:256    105 LEU  MD1         5.50    (#    256:20  Single Ambig)
 &rst
  ixpk= 256, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1604,2174,
 igr2=1613,1614,1615,
 &end
#
#    5 PHE  QD          105 LEU  MD1         4.50    (#    257:20  Unique         3.35, 6.25 A)
 &rst
  ixpk= 257, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  79,  87,
 igr2=1613,1614,1615,
 &end
#
#    0 AMB  20-2:258      0 AMB  20-1:258    5.50    (#    258:20  Double Ambig)
 &rst
  ixpk= 258, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 306, 314, 227,
 igr2= 450, 451, 452, 801, 802, 803,
 &end
#
#    0 AMB  20-2:259      0 AMB  20-1:259    3.50    (#    259:20  Double Ambig)
 &rst
  ixpk= 259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=2261, 792,
 igr2= 450, 451, 452, 801, 802, 803,
 &end
#
#    0 AMB  20-2:260     55 LEU  MD1         5.50    (#    260:20  Single Ambig)
 &rst
  ixpk= 260, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 904, 811,
 igr2= 801, 802, 803,
 &end
#
#   20 LEU  HN           55 LEU  MD1         5.50    (#    261:20  Unique         3.34, 4.23 A)
 &rst
  ixpk= 261, nxpk= 20, iat= 279,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 801, 802, 803,
 &end
#
#   46 LYS  HN           46 LYS  HG+         4.50    (#    262:20  Unique         2.08, 3.13 A)
 &rst
  ixpk= 262, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 671, 672,
 &end
#
#   46 LYS  HA           46 LYS  HG+         5.50    (#    263:20  Unique         2.60, 3.72 A)
 &rst
  ixpk= 263, nxpk= 20, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 671, 672,
 &end
#
#  134 LEU  HN          134 LEU  MD1         5.50    (#    264:20  Unique         4.39, 4.93 A)
 &rst
  ixpk= 264, nxpk= 20, iat=2046,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2055,2056,2057,
 &end
#
#    0 AMB  20-2:265      0 AMB  20-1:265    5.50    (#    265:20  Double Ambig)
 &rst
  ixpk= 265, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=2174,1604,2046, 767,
 igr2=2108,2109,2110, 927, 928, 929,
 &end
#
#    0 AMB  20-2:266    137 LEU  MD2         5.50    (#    266:20  Single Ambig)
 &rst
  ixpk= 266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1668,2157,
 igr2=2108,2109,2110,
 &end
#
#    0 AMB  20-2:267     62 LEU  QD2         4.50    (#    267:20  Single Ambig)
 &rst
  ixpk= 267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 942, 943, 227,
 igr2= 927, 928, 929,
 &end
#
#  138 LEU  HN          137 LEU  MD2         5.50    (#    268:20  Unique         4.00, 5.16 A)
 &rst
  ixpk= 268, nxpk= 20, iat=2114,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2108,2109,2110,
 &end
#
#   80 VAL  HN           79 LEU  MD1         5.50    (#    270:20  Unique         2.40, 3.57 A)
 &rst
  ixpk= 270, nxpk= 20, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1172,1173,1174,
 &end
#
#  103 PHE  QE           79 LEU  MD1         5.50    (#    271:20  Unique         2.66, 4.95 A)
 &rst
  ixpk= 271, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1580,1584,
 igr2=1172,1173,1174,
 &end
#
#  103 PHE  QD           79 LEU  MD1         5.50    (#    272:20  Unique         2.35, 4.70 A)
 &rst
  ixpk= 272, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1578,1586,
 igr2=1172,1173,1174,
 &end
#
#  108 TYR  QE           79 LEU  MD1         5.50    (#    273:20  Unique         2.58, 4.89 A)
 &rst
  ixpk= 273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1670,1675,
 igr2=1172,1173,1174,
 &end
#
#  103 PHE  HD2          79 LEU  MD1         5.50    (#    274:20  Unique         2.35, 5.06 A)
 &rst
  ixpk= 274, nxpk= 20, iat=1586,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1172,1173,1174,
 &end
#
#    0 AMB  20-2:275    117 LEU  MD2         5.50    (#    275:20  Single Ambig)
 &rst
  ixpk= 275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1800,1981,
 igr2=1794,1795,1796,
 &end
#
#   82 ALA  HN           81 LEU  HG          5.50    (#    276:20  Unique         4.12, 4.20 A)
 &rst
  ixpk= 276, nxpk= 20, iat=1217,1205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  103 PHE  HN           81 LEU  HG          5.50    (#    277:20  Unique         3.79, 3.89 A)
 &rst
  ixpk= 277, nxpk= 20, iat=1570,1205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:278     81 LEU  HG          4.50    (#    278:20  Single Ambig)
 &rst
  ixpk= 278, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1198,1182,1604,
 &end
#
#  108 TYR  HN           81 LEU  HG          5.50    (#    279:20  Unique         5.16, 5.33 A)
 &rst
  ixpk= 279, nxpk= 20, iat=1660,1205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  103 PHE  QD           81 LEU  HG          4.50    (#    280:20  Unique         4.07, 5.46 A)
 &rst
  ixpk= 280, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1578,1586,
 &end
#
#  108 TYR  QE           81 LEU  HG          5.50    (#    281:20  Unique         5.25, 5.62 A)
 &rst
  ixpk= 281, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1670,1675,
 &end
#
#    0 AMB  20-2:282     81 LEU  HG          4.50    (#    282:20  Single Ambig)
 &rst
  ixpk= 282, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1586,1668,
 &end
#
#   81 LEU  HA           81 LEU  HG          3.50    (#    283:20  Unique         2.26, 2.33 A)
 &rst
  ixpk= 283, nxpk= 20, iat=1200,1205, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:284     81 LEU  HG          5.50    (#    284:20  Single Ambig)
 &rst
  ixpk= 284, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1556,1572,
 &end
#
#  117 LEU  HN          117 LEU  MD2         5.50    (#    285:20  Unique         2.28, 5.11 A)
 &rst
  ixpk= 285, nxpk= 20, iat=1781,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1794,1795,1796,
 &end
#
#   34 VAL  HN           34 VAL  MG2         5.50    (#    286:20  Unique         2.34, 3.48 A)
 &rst
  ixpk= 286, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 514, 515, 516,
 &end
#
#   35 ARG  HN           34 VAL  MG2         4.50    (#    287:20  Unique         3.48, 4.44 A)
 &rst
  ixpk= 287, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 514, 515, 516,
 &end
#
#   21 PHE  HD2          34 VAL  MG2         4.50    (#    288:20  Unique         2.99, 4.27 A)
 &rst
  ixpk= 288, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 514, 515, 516,
 &end
#
#    5 PHE  QE           34 VAL  MG2         5.50    (#    289:20  Unique         2.54, 5.70 A)
 &rst
  ixpk= 289, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  81,  85,
 igr2= 514, 515, 516,
 &end
#
#    0 AMB  20-2:290     34 VAL  MG2         3.00    (#    290:20  Single Ambig)
 &rst
  ixpk= 290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 306, 314,  79,  87,
 igr2= 514, 515, 516,
 &end
#
#    0 AMB  20-2:292     34 VAL  MG2         3.50    (#    292:20  Single Ambig)
 &rst
  ixpk= 292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 506, 492,
 igr2= 514, 515, 516,
 &end
#
#  108 TYR  HN          109 VAL  MG2         5.50    (#    293:20  Unique         3.77, 5.04 A)
 &rst
  ixpk= 293, nxpk= 20, iat=1660,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1691,1692,1693,
 &end
#
#  141 LEU  HN          109 VAL  MG2         5.50    (#    294:20  Unique         3.86, 4.75 A)
 &rst
  ixpk= 294, nxpk= 20, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1691,1692,1693,
 &end
#
#  108 TYR  QE          109 VAL  MG2         5.50    (#    295:20  Unique         3.92, 6.29 A)
 &rst
  ixpk= 295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1670,1675,
 igr2=1691,1692,1693,
 &end
#
#  108 TYR  HD1         109 VAL  MG2         4.50    (#    296:20  Unique         2.28, 3.00 A)
 &rst
  ixpk= 296, nxpk= 20, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1691,1692,1693,
 &end
#
#    0 AMB  20-2:297    109 VAL  MG2         5.50    (#    297:20  Single Ambig)
 &rst
  ixpk= 297, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1697,2225,
 igr2=1691,1692,1693,
 &end
#
#  109 VAL  HN          109 VAL  MG2         3.50    (#    298:20  Unique         2.09, 3.13 A)
 &rst
  ixpk= 298, nxpk= 20, iat=1681,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1691,1692,1693,
 &end
#
#    0 AMB  20-2:299    141 LEU  MD1         4.50    (#    299:20  Single Ambig)
 &rst
  ixpk= 299, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1681,2095,
 igr2=2183,2184,2185,
 &end
#
#    0 AMB  20-2:300     79 LEU  MD2         4.50    (#    300:20  Single Ambig)
 &rst
  ixpk= 300, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1182,1198,
 igr2=1176,1177,1178,
 &end
#
#    0 AMB  20-2:301     79 LEU  MD2         4.50    (#    301:20  Single Ambig)
 &rst
  ixpk= 301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1668,1580,1584,
 igr2=1176,1177,1178,
 &end
#
#  103 PHE  QD           79 LEU  MD2         4.50    (#    302:20  Unique         3.95, 6.73 A)
 &rst
  ixpk= 302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1578,1586,
 igr2=1176,1177,1178,
 &end
#
#  108 TYR  QE           79 LEU  MD2         4.50    (#    303:20  Unique         3.21, 4.26 A)
 &rst
  ixpk= 303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1670,1675,
 igr2=1176,1177,1178,
 &end
#
#    0 AMB  20-2:304     79 LEU  MD2         5.50    (#    304:20  Single Ambig)
 &rst
  ixpk= 304, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1668,1586,
 igr2=1176,1177,1178,
 &end
#
#   40 PHE  HN            8 THR  MG2         5.50    (#    305:20  Unique         3.36, 5.07 A)
 &rst
  ixpk= 305, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 124, 125, 126,
 &end
#
#   40 PHE  QD            8 THR  MG2         4.50    (#    306:20  Unique         2.26, 5.26 A)
 &rst
  ixpk= 306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 596, 604,
 igr2= 124, 125, 126,
 &end
#
#  108 TYR  QE          141 LEU  MD1         3.50    (#    307:20  Unique         3.65, 6.18 A)
 &rst
  ixpk= 307, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1670,1675,
 igr2=2183,2184,2185,
 &end
#
#    0 AMB  20-2:308     73 LEU  MD1         4.50    (#    308:20  Single Ambig)
 &rst
  ixpk= 308, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1079,1098,
 igr2=1088,1089,1090,
 &end
#
#   70 THR  HN           73 LEU  MD1         5.50    (#    309:20  Unique         5.74, 6.24 A)
 &rst
  ixpk= 309, nxpk= 20, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1088,1089,1090,
 &end
#
#   39 VAL  HN            6 VAL  MG2         3.50    (#    310:20  Unique         2.68, 3.50 A)
 &rst
  ixpk= 310, nxpk= 20, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 101, 102, 103,
 &end
#
#  141 LEU  HN          141 LEU  MD1         4.50    (#    311:20  Unique         2.51, 4.03 A)
 &rst
  ixpk= 311, nxpk= 20, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2183,2184,2185,
 &end
#
#    0 AMB  20-2:312    141 LEU  MD1         5.50    (#    312:20  Single Ambig)
 &rst
  ixpk= 312, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 306, 314,  79,  87,
 igr2=2183,2184,2185,
 &end
#
#  108 TYR  HD1         141 LEU  MD1         3.50    (#    313:20  Unique         2.41, 3.39 A)
 &rst
  ixpk= 313, nxpk= 20, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2183,2184,2185,
 &end
#
#    7 CYS  HN            6 VAL  MG2         4.50    (#    314:20  Unique         2.45, 3.51 A)
 &rst
  ixpk= 314, nxpk= 20, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 101, 102, 103,
 &end
#
#    6 VAL  HA            6 VAL  MG2         4.50    (#    315:20  Unique         2.53, 3.26 A)
 &rst
  ixpk= 315, nxpk= 20, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 101, 102, 103,
 &end
#
#    0 AMB  20-2:317      0 AMB  20-1:317    4.50    (#    317:20  Double Ambig)
 &rst
  ixpk= 317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1227,  91,2193,
 igr2= 101, 102, 103,2183,2184,2185,
 &end
#
#   20 LEU  HN           20 LEU  QD1         5.50    (#    318:20  Unique         4.24, 5.06 A)
 &rst
  ixpk= 318, nxpk= 20, iat= 279,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 288, 289, 290,
 &end
#
#   48 THR  HN           48 THR  MG2         4.50    (#    319:20  Unique         2.00, 3.04 A)
 &rst
  ixpk= 319, nxpk= 20, iat= 696,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 702, 703, 704,
 &end
#
#   51 ALA  HN           48 THR  MG2         5.50    (#    321:20  Unique         3.91, 4.61 A)
 &rst
  ixpk= 321, nxpk= 20, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 702, 703, 704,
 &end
#
#   46 LYS  HA           48 THR  MG2         7.00    (#    322:20  Unique         6.58, 7.52 A)
 &rst
  ixpk= 322, nxpk= 20, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 702, 703, 704,
 &end
#
#    0 AMB  20-2:323     34 VAL  MG1         3.50    (#    323:20  Single Ambig)
 &rst
  ixpk= 323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 504,  33,
 igr2= 510, 511, 512,
 &end
#
#   35 ARG  HN           34 VAL  MG1         5.50    (#    324:20  Unique         4.23, 4.84 A)
 &rst
  ixpk= 324, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 510, 511, 512,
 &end
#
#   21 PHE  HD2          34 VAL  MG1         3.50    (#    325:20  Unique         2.28, 3.00 A)
 &rst
  ixpk= 325, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 510, 511, 512,
 &end
#
#    5 PHE  QE           34 VAL  MG1         5.50    (#    326:20  Unique         2.37, 5.31 A)
 &rst
  ixpk= 326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  81,  85,
 igr2= 510, 511, 512,
 &end
#
#   21 PHE  QD           34 VAL  MG1         4.50    (#    327:20  Unique         2.28, 4.76 A)
 &rst
  ixpk= 327, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 306, 314,
 igr2= 510, 511, 512,
 &end
#
#    0 AMB  20-2:328     34 VAL  MG1         3.50    (#    328:20  Single Ambig)
 &rst
  ixpk= 328, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 506, 492,
 igr2= 510, 511, 512,
 &end
#
#    0 AMB  20-2:329     69 LEU  MD1         5.50    (#    329:20  Single Ambig)
 &rst
  ixpk= 329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1098,1079,
 igr2=1025,1026,1027,
 &end
#
#    0 AMB  20-2:330      0 AMB  20-1:330    4.50    (#    330:20  Double Ambig)
 &rst
  ixpk= 330, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1198, 588,
 igr2=  97,  98,  99, 582, 583, 584,
 &end
#
#   39 VAL  HN           39 VAL  MG2         4.50    (#    331:20  Unique         1.91, 2.86 A)
 &rst
  ixpk= 331, nxpk= 20, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 582, 583, 584,
 &end
#
#   40 PHE  QD           39 VAL  MG2         5.50    (#    332:20  Unique         2.33, 6.07 A)
 &rst
  ixpk= 332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 596, 604,
 igr2= 582, 583, 584,
 &end
#
#   91 ILE  HN            0 AMB  20-1:333    4.50    (#    333:20  Single Ambig)
 &rst
  ixpk= 333, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 582, 583, 584,  97,  98,  99,
 &end
#
#   82 ALA  HA            6 VAL  MG1         5.50    (#    334:20  Unique         2.08, 3.05 A)
 &rst
  ixpk= 334, nxpk= 20, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  97,  98,  99,
 &end
#
#    0 AMB  20-2:335      6 VAL  MG1         5.50    (#    335:20  Single Ambig)
 &rst
  ixpk= 335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  91,1227,
 igr2=  97,  98,  99,
 &end
#
#    0 AMB  20-2:336      0 AMB  20-1:336    5.50    (#    336:20  Double Ambig)
 &rst
  ixpk= 336, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 107, 132,
 igr2= 582, 583, 584,  97,  98,  99,
 &end
#
#    6 VAL  HA            0 AMB  20-1:337    4.50    (#    337:20  Single Ambig)
 &rst
  ixpk= 337, nxpk= 20, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=  97,  98,  99, 582, 583, 584,
 &end
#
#   69 LEU  HN           69 LEU  MD1         5.50    (#    338:20  Unique         4.90, 5.28 A)
 &rst
  ixpk= 338, nxpk= 20, iat=1016,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1025,1026,1027,
 &end
#
#   70 THR  HN           69 LEU  MD1         4.50    (#    339:20  Unique         2.40, 3.48 A)
 &rst
  ixpk= 339, nxpk= 20, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1025,1026,1027,
 &end
#
#  144 GLN  HE2+        109 VAL  MG1         5.50    (#    340:20  Unique         2.69, 5.33 A)
 &rst
  ixpk= 340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2237,2238,
 igr2=1687,1688,1689,
 &end
#
#    0 AMB  20-2:341      0 AMB  20-1:341    5.50    (#    341:20  Double Ambig)
 &rst
  ixpk= 341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1697, 696,2225,
 igr2=1687,1688,1689, 761, 762, 763,
 &end
#
#    0 AMB  20-2:342      0 AMB  20-1:342    4.50    (#    342:20  Double Ambig)
 &rst
  ixpk= 342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1681, 792,2095, 608,
 igr2=1687,1688,1689, 761, 762, 763, 559, 560, 561,
 &end
#
#  144 GLN  HE2-        109 VAL  MG1         5.50    (#    343:20  Unique         2.69, 5.33 A)
 &rst
  ixpk= 343, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2237,2238,
 igr2=1687,1688,1689,
 &end
#
#  108 TYR  HD1         109 VAL  MG1         5.50    (#    344:20  Unique         4.65, 5.47 A)
 &rst
  ixpk= 344, nxpk= 20, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1687,1688,1689,
 &end
#
#    0 AMB  20-2:345     37 ALA  MB          3.50    (#    345:20  Single Ambig)
 &rst
  ixpk= 345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 565, 555,
 igr2= 559, 560, 561,
 &end
#
#   70 THR  HN           37 ALA  MB          5.50    (#    346:20  Unique         4.41, 5.06 A)
 &rst
  ixpk= 346, nxpk= 20, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 559, 560, 561,
 &end
#
#   63 ASN  HD2+         52 VAL  MG2         5.50    (#    347:20  Unique         3.02, 3.89 A)
 &rst
  ixpk= 347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 942, 943,
 igr2= 761, 762, 763,
 &end
#
#    0 AMB  20-2:348      0 AMB  20-1:348    5.50    (#    348:20  Double Ambig)
 &rst
  ixpk= 348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1016, 914,
 igr2= 559, 560, 561, 761, 762, 763,
 &end
#
#   52 VAL  HN           52 VAL  MG2         3.50    (#    349:20  Unique         3.99, 4.33 A)
 &rst
  ixpk= 349, nxpk= 20, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 761, 762, 763,
 &end
#
#  145 LEU  HN          145 LEU  MD2         4.50    (#    350:20  Unique         2.82, 4.11 A)
 &rst
  ixpk= 350, nxpk= 20, iat=2242,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2255,2256,2257,
 &end
#
#  108 TYR  QE          145 LEU  MD2         5.50    (#    351:20  Unique         2.20, 5.03 A)
 &rst
  ixpk= 351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1670,1675,
 igr2=2255,2256,2257,
 &end
#
#  116 VAL  HN          116 VAL  MG2         4.50    (#    352:20  Unique         1.86, 3.13 A)
 &rst
  ixpk= 352, nxpk= 20, iat=1765,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1775,1776,1777,
 &end
#
#    0 AMB  20-2:353    116 VAL  MG2         5.50    (#    353:20  Single Ambig)
 &rst
  ixpk= 353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1781,2114,
 igr2=1775,1776,1777,
 &end
#
#   83 MET  HA          116 VAL  MG2         5.50    (#    354:20  Unique         4.60, 6.51 A)
 &rst
  ixpk= 354, nxpk= 20, iat=1229,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1775,1776,1777,
 &end
#
#   85 HIS  HN           84 THR  MG2         5.50    (#    355:20  Unique         2.28, 4.50 A)
 &rst
  ixpk= 355, nxpk= 20, iat=1258,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1250,1251,1252,
 &end
#
#   84 THR  HN           84 THR  MG2         5.50    (#    356:20  Unique         3.15, 4.18 A)
 &rst
  ixpk= 356, nxpk= 20, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1250,1251,1252,
 &end
#
#    0 AMB  20-2:357     84 THR  MG2         5.50    (#    357:20  Single Ambig)
 &rst
  ixpk= 357, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1765,1309,
 igr2=1250,1251,1252,
 &end
#
#   84 THR  HA           84 THR  MG2         3.50    (#    358:20  Unique         2.40, 3.23 A)
 &rst
  ixpk= 358, nxpk= 20, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1250,1251,1252,
 &end
#
#   83 MET  HA           84 THR  MG2         5.50    (#    359:20  Unique         4.53, 5.52 A)
 &rst
  ixpk= 359, nxpk= 20, iat=1229,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1250,1251,1252,
 &end
#
#   33 ASN  HN           32 VAL  MG2         4.50    (#    360:20  Unique         3.53, 4.25 A)
 &rst
  ixpk= 360, nxpk= 20, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 484, 485, 486,
 &end
#
#   32 VAL  HN           32 VAL  MG2         5.50    (#    361:20  Unique         2.63, 3.32 A)
 &rst
  ixpk= 361, nxpk= 20, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 484, 485, 486,
 &end
#
#   21 PHE  QD           32 VAL  MG2         5.50    (#    362:20  Unique         2.45, 5.53 A)
 &rst
  ixpk= 362, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 306, 314,
 igr2= 484, 485, 486,
 &end
#
#  101 LYS  HN          102 VAL  MG2         5.50    (#    364:20  Unique         3.57, 4.85 A)
 &rst
  ixpk= 364, nxpk= 20, iat=1532,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1564,1565,1566,
 &end
#
#  102 VAL  HN          102 VAL  MG2         3.50    (#    365:20  Unique         2.25, 3.36 A)
 &rst
  ixpk= 365, nxpk= 20, iat=1554,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1564,1565,1566,
 &end
#
#   21 PHE  QE           32 VAL  MG2         4.50    (#    366:20  Unique         2.16, 5.22 A)
 &rst
  ixpk= 366, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 308, 312,
 igr2= 484, 485, 486,
 &end
#
#   21 PHE  HD2          32 VAL  MG2         5.50    (#    367:20  Unique         2.45, 3.56 A)
 &rst
  ixpk= 367, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 484, 485, 486,
 &end
#
#    0 AMB  20-2:368    102 VAL  MG2         5.50    (#    368:20  Single Ambig)
 &rst
  ixpk= 368, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1520,1182,1198,
 igr2=1564,1565,1566,
 &end
#
#    0 AMB  20-2:369    102 VAL  MG2         3.50    (#    369:20  Single Ambig)
 &rst
  ixpk= 369, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1556,1572,
 igr2=1564,1565,1566,
 &end
#
#  103 PHE  HN          102 VAL  MG2         4.50    (#    370:20  Unique         3.52, 4.97 A)
 &rst
  ixpk= 370, nxpk= 20, iat=1570,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1564,1565,1566,
 &end
#
#   92 ALA  HN          102 VAL  MG2         5.50    (#    371:20  Unique         3.98, 5.34 A)
 &rst
  ixpk= 371, nxpk= 20, iat=1386,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1564,1565,1566,
 &end
#
#  110 THR  HN          110 THR  MG2         3.50    (#    372:20  Unique         2.80, 3.86 A)
 &rst
  ixpk= 372, nxpk= 20, iat=1697,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1703,1704,1705,
 &end
#
#  109 VAL  HN          110 THR  MG2         5.50    (#    373:20  Unique         4.07, 5.59 A)
 &rst
  ixpk= 373, nxpk= 20, iat=1681,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1703,1704,1705,
 &end
#
#  111 GLY  HN          110 THR  MG2         5.50    (#    374:20  Unique         4.68, 5.35 A)
 &rst
  ixpk= 374, nxpk= 20, iat=1711,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1703,1704,1705,
 &end
#
#  131 ARG  HN          130 THR  MG2         5.50    (#    375:20  Unique         2.43, 3.94 A)
 &rst
  ixpk= 375, nxpk= 20, iat=1995,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1987,1988,1989,
 &end
#
#  130 THR  HN          130 THR  MG2         5.50    (#    376:20  Unique         2.84, 4.32 A)
 &rst
  ixpk= 376, nxpk= 20, iat=1981,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1987,1988,1989,
 &end
#
#   71 GLU  HN           70 THR  MG2         5.50    (#    377:20  Unique         3.49, 4.26 A)
 &rst
  ixpk= 377, nxpk= 20, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1041,1042,1043,
 &end
#
#   72 GLU  HN           70 THR  MG2         5.50    (#    378:20  Unique         5.58, 5.90 A)
 &rst
  ixpk= 378, nxpk= 20, iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1041,1042,1043,
 &end
#
#   70 THR  HN           70 THR  MG2         4.50    (#    379:20  Unique         3.29, 4.07 A)
 &rst
  ixpk= 379, nxpk= 20, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1041,1042,1043,
 &end
#
#    0 AMB  20-2:380     70 THR  MG2         7.00    (#    380:20  Single Ambig)
 &rst
  ixpk= 380, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1079,1098,
 igr2=1041,1042,1043,
 &end
#
#   66 SER  HN           65 VAL  MG1         4.50    (#    382:20  Unique         3.00, 3.78 A)
 &rst
  ixpk= 382, nxpk= 20, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 970, 971, 972,
 &end
#
#   65 VAL  HN           65 VAL  MG1         5.50    (#    383:20  Unique         4.34, 4.71 A)
 &rst
  ixpk= 383, nxpk= 20, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 970, 971, 972,
 &end
#
#   46 LYS  HA           65 VAL  MG1         5.50    (#    384:20  Unique         3.62, 4.90 A)
 &rst
  ixpk= 384, nxpk= 20, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 970, 971, 972,
 &end
#
#   53 GLU  HN           52 VAL  MG1         5.50    (#    385:20  Unique         2.26, 3.10 A)
 &rst
  ixpk= 385, nxpk= 20, iat= 767,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 757, 758, 759,
 &end
#
#   62 LEU  HN           52 VAL  MG1         5.50    (#    386:20  Unique         5.89, 6.73 A)
 &rst
  ixpk= 386, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 757, 758, 759,
 &end
#
#   52 VAL  HN           52 VAL  MG1         5.50    (#    387:20  Unique         2.63, 3.44 A)
 &rst
  ixpk= 387, nxpk= 20, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 757, 758, 759,
 &end
#
#    0 AMB  20-2:388     80 VAL  MG1         4.50    (#    388:20  Single Ambig)
 &rst
  ixpk= 388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1198,1182,
 igr2=1188,1189,1190,
 &end
#
#  102 VAL  HA           80 VAL  MG1         5.50    (#    389:20  Unique         3.33, 4.11 A)
 &rst
  ixpk= 389, nxpk= 20, iat=1556,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1188,1189,1190,
 &end
#
#   82 ALA  HN           82 ALA  MB          3.50    (#    390:20  Unique         2.39, 2.96 A)
 &rst
  ixpk= 390, nxpk= 20, iat=1217,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1221,1222,1223,
 &end
#
#    0 AMB  20-2:391     82 ALA  MB          5.50    (#    391:20  Single Ambig)
 &rst
  ixpk= 391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1604,1198,
 igr2=1221,1222,1223,
 &end
#
#    0 AMB  20-2:392     82 ALA  MB          4.50    (#    392:20  Single Ambig)
 &rst
  ixpk= 392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1244,1227,
 igr2=1221,1222,1223,
 &end
#
#   87 HIS  HN           82 ALA  MB          5.50    (#    393:20  Unique         4.14, 5.36 A)
 &rst
  ixpk= 393, nxpk= 20, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1221,1222,1223,
 &end
#
#   88 LYS  HN           82 ALA  MB          4.50    (#    394:20  Unique         2.85, 3.70 A)
 &rst
  ixpk= 394, nxpk= 20, iat=1309,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1221,1222,1223,
 &end
#
#   81 LEU  HA           82 ALA  MB          4.50    (#    395:20  Unique         4.29, 4.83 A)
 &rst
  ixpk= 395, nxpk= 20, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1221,1222,1223,
 &end
#
#    0 AMB  20-2:396     82 ALA  MB          3.00    (#    396:20  Single Ambig)
 &rst
  ixpk= 396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1219,1592,
 igr2=1221,1222,1223,
 &end
#
#    0 AMB  20-2:397     82 ALA  MB          5.50    (#    397:20  Single Ambig)
 &rst
  ixpk= 397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1229,1556,
 igr2=1221,1222,1223,
 &end
#
#   46 LYS  HN           11 THR  MG2         5.50    (#    398:20  Unique         2.42, 3.94 A)
 &rst
  ixpk= 398, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 159, 160, 161,
 &end
#
#   66 SER  HN           65 VAL  MG2         5.50    (#    399:20  Unique         4.41, 5.12 A)
 &rst
  ixpk= 399, nxpk= 20, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 974, 975, 976,
 &end
#
#   65 VAL  HN           65 VAL  MG2         4.50    (#    400:20  Unique         2.48, 3.76 A)
 &rst
  ixpk= 400, nxpk= 20, iat= 964,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 974, 975, 976,
 &end
#
#   46 LYS  HA           65 VAL  MG2         5.50    (#    401:20  Unique         3.58, 4.80 A)
 &rst
  ixpk= 401, nxpk= 20, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 974, 975, 976,
 &end
#
#    5 PHE  QD           83 MET  HE          3.50    (#    402:20  Unique         2.31, 4.85 A)
 &rst
  ixpk= 402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  79,  87,
 igr2=1238,1239,1240,
 &end
#
#    0 AMB  20-2:403     83 MET  HE          5.50    (#    403:20  Single Ambig)
 &rst
  ixpk= 403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1219,1592,
 igr2=1238,1239,1240,
 &end
#
#    0 AMB  20-2:405     83 MET  HE          5.50    (#    405:20  Single Ambig)
 &rst
  ixpk= 405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1604,1198,
 igr2=1238,1239,1240,
 &end
#
#    0 AMB  20-2:406     83 MET  HE          4.50    (#    406:20  Single Ambig)
 &rst
  ixpk= 406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  91,1227,
 igr2=1238,1239,1240,
 &end
#
#    5 PHE  HA           83 MET  HE          5.50    (#    407:20  Unique         3.17, 4.40 A)
 &rst
  ixpk= 407, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1238,1239,1240,
 &end
#
#  117 LEU  HN          116 VAL  MG1         5.50    (#    408:20  Unique         1.85, 3.16 A)
 &rst
  ixpk= 408, nxpk= 20, iat=1781,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1771,1772,1773,
 &end
#
#   40 PHE  HN           39 VAL  MG1         4.50    (#    409:20  Unique         4.07, 4.91 A)
 &rst
  ixpk= 409, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 578, 579, 580,
 &end
#
#   39 VAL  HN           39 VAL  MG1         4.50    (#    410:20  Unique         2.63, 4.22 A)
 &rst
  ixpk= 410, nxpk= 20, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 578, 579, 580,
 &end
#
#   40 PHE  QD           39 VAL  MG1         4.50    (#    411:20  Unique         3.56, 5.58 A)
 &rst
  ixpk= 411, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 596, 604,
 igr2= 578, 579, 580,
 &end
#
#   87 HIS  HD2          39 VAL  MG1         5.50    (#    412:20  Unique         3.53, 5.80 A)
 &rst
  ixpk= 412, nxpk= 20, iat=1305,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 578, 579, 580,
 &end
#
#  104 THR  HN          104 THR  MG2         5.50    (#    413:20  Unique         4.29, 4.53 A)
 &rst
  ixpk= 413, nxpk= 20, iat=1590,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1596,1597,1598,
 &end
#
#  104 THR  HA          104 THR  MG2         4.50    (#    414:20  Unique         2.30, 2.93 A)
 &rst
  ixpk= 414, nxpk= 20, iat=1592,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1596,1597,1598,
 &end
#
#   42 SER  HN           41 ALA  MB          4.50    (#    417:20  Unique         2.28, 3.42 A)
 &rst
  ixpk= 417, nxpk= 20, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 612, 613, 614,
 &end
#
#    0 AMB  20-2:418     41 ALA  MB          5.50    (#    418:20  Single Ambig)
 &rst
  ixpk= 418, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 139, 565,
 igr2= 612, 613, 614,
 &end
#
#   69 LEU  HN           41 ALA  MB          5.50    (#    419:20  Unique         4.03, 5.24 A)
 &rst
  ixpk= 419, nxpk= 20, iat=1016,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 612, 613, 614,
 &end
#
#   41 ALA  HN           41 ALA  MB          4.50    (#    420:20  Unique         2.33, 2.99 A)
 &rst
  ixpk= 420, nxpk= 20, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 612, 613, 614,
 &end
#
#   67 SER  HA           41 ALA  MB          5.50    (#    421:20  Unique         4.14, 4.84 A)
 &rst
  ixpk= 421, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 612, 613, 614,
 &end
#
#    0 AMB  20-2:422     80 VAL  MG2         3.50    (#    422:20  Single Ambig)
 &rst
  ixpk= 422, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1182,1198,
 igr2=1192,1193,1194,
 &end
#
#  102 VAL  HA           80 VAL  MG2         5.50    (#    423:20  Unique         4.01, 4.67 A)
 &rst
  ixpk= 423, nxpk= 20, iat=1556,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1192,1193,1194,
 &end
#
#   21 PHE  QE           32 VAL  MG1         3.50    (#    424:20  Unique         2.30, 5.12 A)
 &rst
  ixpk= 424, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 308, 312,
 igr2= 480, 481, 482,
 &end
#
#    0 AMB  20-2:425     32 VAL  MG1         5.50    (#    425:20  Single Ambig)
 &rst
  ixpk= 425, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 492, 506,
 igr2= 480, 481, 482,
 &end
#
#    4 ILE  HN           80 VAL  MG2         5.50    (#    427:20  Unique         3.27, 4.45 A)
 &rst
  ixpk= 427, nxpk= 20, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1192,1193,1194,
 &end
#
#   33 ASN  HN           32 VAL  MG1         4.50    (#    428:20  Unique         3.95, 4.49 A)
 &rst
  ixpk= 428, nxpk= 20, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 480, 481, 482,
 &end
#
#   32 VAL  HN           32 VAL  MG1         4.50    (#    429:20  Unique         3.46, 4.17 A)
 &rst
  ixpk= 429, nxpk= 20, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 480, 481, 482,
 &end
#
#   21 PHE  QD           32 VAL  MG1         5.50    (#    430:20  Unique         4.00, 6.58 A)
 &rst
  ixpk= 430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 306, 314,
 igr2= 480, 481, 482,
 &end
#
#   19 ALA  HN           19 ALA  MB          3.50    (#    431:20  Unique         2.45, 2.86 A)
 &rst
  ixpk= 431, nxpk= 20, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 273, 274, 275,
 &end
#
#   92 ALA  HN           91 ILE  QG2         5.50    (#    432:20  Unique         3.39, 4.22 A)
 &rst
  ixpk= 432, nxpk= 20, iat=1386,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1373,1374,1375,
 &end
#
#   95 PHE  QD           91 ILE  QG2         5.50    (#    433:20  Unique         2.39, 4.63 A)
 &rst
  ixpk= 433, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1432,1440,
 igr2=1373,1374,1375,
 &end
#
#   95 PHE  HD2          91 ILE  QG2         5.50    (#    434:20  Unique         5.53, 6.37 A)
 &rst
  ixpk= 434, nxpk= 20, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1373,1374,1375,
 &end
#
#   20 LEU  HN           19 ALA  MB          4.50    (#    435:20  Unique         2.61, 3.44 A)
 &rst
  ixpk= 435, nxpk= 20, iat= 279,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 273, 274, 275,
 &end
#
#   61 ALA  HN           19 ALA  MB          5.50    (#    436:20  Unique         5.70, 6.66 A)
 &rst
  ixpk= 436, nxpk= 20, iat= 904,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 273, 274, 275,
 &end
#
#   62 LEU  HN           61 ALA  MB          4.50    (#    437:20  Unique         2.49, 4.36 A)
 &rst
  ixpk= 437, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 908, 909, 910,
 &end
#
#   78 ASP  HN           77 ALA  MB          4.50    (#    438:20  Unique         2.15, 3.07 A)
 &rst
  ixpk= 438, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1145,1146,1147,
 &end
#
#    4 ILE  HN           77 ALA  MB          5.50    (#    439:20  Unique         3.56, 4.37 A)
 &rst
  ixpk= 439, nxpk= 20, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1145,1146,1147,
 &end
#
#   79 LEU  HN           77 ALA  MB          4.50    (#    440:20  Unique         2.72, 3.74 A)
 &rst
  ixpk= 440, nxpk= 20, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1145,1146,1147,
 &end
#
#   76 SER  HN           77 ALA  MB          5.50    (#    441:20  Unique         4.81, 5.44 A)
 &rst
  ixpk= 441, nxpk= 20, iat=1130,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1145,1146,1147,
 &end
#
#   64 HIS  HD2          47 ALA  MB          5.50    (#    443:20  Unique         4.47, 5.94 A)
 &rst
  ixpk= 443, nxpk= 20, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 690, 691, 692,
 &end
#
#   48 THR  HN           47 ALA  MB          4.50    (#    444:20  Unique         1.97, 3.52 A)
 &rst
  ixpk= 444, nxpk= 20, iat= 696,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 690, 691, 692,
 &end
#
#   47 ALA  HN           47 ALA  MB          3.50    (#    445:20  Unique         2.26, 2.96 A)
 &rst
  ixpk= 445, nxpk= 20, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 690, 691, 692,
 &end
#
#   46 LYS  HA           47 ALA  MB          5.50    (#    446:20  Unique         4.35, 5.06 A)
 &rst
  ixpk= 446, nxpk= 20, iat= 666,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 690, 691, 692,
 &end
#
#  142 ALA  HN          142 ALA  MB          3.00    (#    447:20  Unique         2.46, 2.91 A)
 &rst
  ixpk= 447, nxpk= 20, iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=2197,2198,2199,
 &end
#
#    0 AMB  20-2:448    142 ALA  MB          5.50    (#    448:20  Single Ambig)
 &rst
  ixpk= 448, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 419, 351,
 igr2=2197,2198,2199,
 &end
#
#   21 PHE  HD2         142 ALA  MB          6.50    (#    449:20  Unique         5.94, 6.95 A)
 &rst
  ixpk= 449, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=2197,2198,2199,
 &end
#
#   21 PHE  QE          142 ALA  MB          3.50    (#    450:20  Unique         2.35, 4.56 A)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 308, 312,
 igr2=2197,2198,2199,
 &end
#
#   21 PHE  QD          142 ALA  MB          5.50    (#    451:20  Unique         3.99, 6.11 A)
 &rst
  ixpk= 451, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 306, 314,
 igr2=2197,2198,2199,
 &end
#
#    0 AMB  20-2:452    142 ALA  MB          5.50    (#    452:20  Single Ambig)
 &rst
  ixpk= 452, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2225,2242,
 igr2=2197,2198,2199,
 &end
#
#  127 TYR  HD2          51 ALA  MB          5.50    (#    453:20  Unique         3.05, 5.35 A)
 &rst
  ixpk= 453, nxpk= 20, iat=1929,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 745, 746, 747,
 &end
#
#   48 THR  HN           51 ALA  MB          5.50    (#    454:20  Unique         2.42, 3.38 A)
 &rst
  ixpk= 454, nxpk= 20, iat= 696,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 745, 746, 747,
 &end
#
#   52 VAL  HN           51 ALA  MB          4.50    (#    455:20  Unique         2.40, 3.25 A)
 &rst
  ixpk= 455, nxpk= 20, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 745, 746, 747,
 &end
#
#   51 ALA  HN           51 ALA  MB          4.50    (#    456:20  Unique         2.41, 2.89 A)
 &rst
  ixpk= 456, nxpk= 20, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 745, 746, 747,
 &end
#
#  127 TYR  QD           51 ALA  MB          4.50    (#    457:20  Unique         2.90, 5.32 A)
 &rst
  ixpk= 457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1929,1938,
 igr2= 745, 746, 747,
 &end
#
#  124 ILE  HN          124 ILE  QG2         4.50    (#    459:20  Unique         2.02, 3.01 A)
 &rst
  ixpk= 459, nxpk= 20, iat=1871,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1877,1878,1879,
 &end
#
#  125 ASP  HN          124 ILE  QG2         3.50    (#    460:20  Unique         2.57, 3.22 A)
 &rst
  ixpk= 460, nxpk= 20, iat=1890,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1877,1878,1879,
 &end
#
#    0 AMB  20-2:461     92 ALA  MB          3.00    (#    461:20  Single Ambig)
 &rst
  ixpk= 461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1386,1451,
 igr2=1390,1391,1392,
 &end
#
#   93 SER  HN           92 ALA  MB          3.50    (#    462:20  Unique         2.53, 3.45 A)
 &rst
  ixpk= 462, nxpk= 20, iat=1396,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1390,1391,1392,
 &end
#
#  112 SER  HN          112 SER  HB-         5.50    (#    463:20  Unique         2.52, 3.27 A)
 &rst
  ixpk= 463, nxpk= 20, iat=1718,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1722,1723,
 &end
#
#   24 ILE  HN           24 ILE  HA          5.50    (#    464:20  Unique         2.85, 2.87 A)
 &rst
  ixpk= 464, nxpk= 20, iat= 351, 353, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ILE  HN           60 ILE  QG2         5.50    (#    465:20  Unique         4.27, 4.68 A)
 &rst
  ixpk= 465, nxpk= 20, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 891, 892, 893,
 &end
#
#   61 ALA  HN           60 ILE  QG2         4.50    (#    466:20  Unique         3.92, 4.77 A)
 &rst
  ixpk= 466, nxpk= 20, iat= 904,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 891, 892, 893,
 &end
#
#   25 ALA  HN           24 ILE  QG2         5.50    (#    467:20  Unique         3.44, 4.35 A)
 &rst
  ixpk= 467, nxpk= 20, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 357, 358, 359,
 &end
#
#  142 ALA  HN           24 ILE  QG2         7.00    (#    468:20  Unique         3.86, 4.75 A)
 &rst
  ixpk= 468, nxpk= 20, iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 357, 358, 359,
 &end
#
#   91 ILE  HN           90 ILE  QG2         5.50    (#    469:20  Unique         3.60, 4.39 A)
 &rst
  ixpk= 469, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1354,1355,1356,
 &end
#
#    0 AMB  20-2:470     24 ILE  QG2         4.50    (#    470:20  Single Ambig)
 &rst
  ixpk= 470, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 351, 441,
 igr2= 357, 358, 359,
 &end
#
#    0 AMB  20-2:471     90 ILE  QG2         5.50    (#    471:20  Single Ambig)
 &rst
  ixpk= 471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1348, 572,
 igr2=1354,1355,1356,
 &end
#
#   40 PHE  QD           90 ILE  QG2         3.80    (#    472:20  Unique         3.50, 6.18 A)
 &rst
  ixpk= 472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 596, 604,
 igr2=1354,1355,1356,
 &end
#
#    0 AMB  20-2:473      0 AMB  20-1:473    5.50    (#    473:20  Double Ambig)
 &rst
  ixpk= 473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 306, 314,1419,1420,1287,1288,
 igr2= 357, 358, 359,1354,1355,1356,
 &end
#
#    2 ASP  HN            1 MET  HE          5.50    (#    474:20  Unique         3.52, 4.97 A)
 &rst
  ixpk= 474, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  15,  16,  17,
 &end
#
#   79 LEU  HN            1 MET  HE          5.50    (#    475:20  Unique         4.27, 5.65 A)
 &rst
  ixpk= 475, nxpk= 20, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  15,  16,  17,
 &end
#
#  123 SER  HN          126 ILE  QG2         5.50    (#    477:20  Unique         4.52, 5.19 A)
 &rst
  ixpk= 477, nxpk= 20, iat=1860,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1908,1909,1910,
 &end
#
#    0 AMB  20-2:478    126 ILE  QG2         4.50    (#    478:20  Single Ambig)
 &rst
  ixpk= 478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1921,1964,
 igr2=1908,1909,1910,
 &end
#
#  126 ILE  HN          126 ILE  QG2         4.50    (#    479:20  Unique         4.46, 4.57 A)
 &rst
  ixpk= 479, nxpk= 20, iat=1902,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1908,1909,1910,
 &end
#
#   25 ALA  HN           25 ALA  MB          3.00    (#    480:20  Unique         2.50, 2.90 A)
 &rst
  ixpk= 480, nxpk= 20, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 374, 375, 376,
 &end
#
#    0 AMB  20-2:481     25 ALA  MB          4.50    (#    481:20  Single Ambig)
 &rst
  ixpk= 481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 441, 351,
 igr2= 374, 375, 376,
 &end
#
#   26 GLU  HN           25 ALA  MB          3.50    (#    482:20  Unique         2.65, 3.48 A)
 &rst
  ixpk= 482, nxpk= 20, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 374, 375, 376,
 &end
#
#   21 PHE  HD2          25 ALA  MB          5.50    (#    483:20  Unique         2.99, 4.09 A)
 &rst
  ixpk= 483, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 374, 375, 376,
 &end
#
#   21 PHE  QE           25 ALA  MB          5.50    (#    484:20  Unique         2.65, 5.25 A)
 &rst
  ixpk= 484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 308, 312,
 igr2= 374, 375, 376,
 &end
#
#   54 ALA  HN           54 ALA  MB          3.50    (#    485:20  Unique         2.47, 2.89 A)
 &rst
  ixpk= 485, nxpk= 20, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 786, 787, 788,
 &end
#
#   55 LEU  HN           54 ALA  MB          5.50    (#    486:20  Unique         2.51, 3.39 A)
 &rst
  ixpk= 486, nxpk= 20, iat= 792,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 786, 787, 788,
 &end
#
#    0 AMB  20-2:487      4 ILE  QG2         4.50    (#    487:20  Single Ambig)
 &rst
  ixpk= 487, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 555, 544,
 igr2=  58,  59,  60,
 &end
#
#    5 PHE  HN            4 ILE  QG2         4.50    (#    488:20  Unique         3.18, 3.83 A)
 &rst
  ixpk= 488, nxpk= 20, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  58,  59,  60,
 &end
#
#   36 SER  HA            4 ILE  QG2         4.50    (#    489:20  Unique         2.77, 3.97 A)
 &rst
  ixpk= 489, nxpk= 20, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  58,  59,  60,
 &end
#
#   18 GLU  HN           17 ALA  MB          4.50    (#    490:20  Unique         2.60, 3.46 A)
 &rst
  ixpk= 490, nxpk= 20, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 248, 249, 250,
 &end
#
#   17 ALA  HN           17 ALA  MB          3.50    (#    491:20  Unique         2.48, 2.90 A)
 &rst
  ixpk= 491, nxpk= 20, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 248, 249, 250,
 &end
#
#    0 AMB  20-2:492     17 ALA  MB          4.50    (#    492:20  Single Ambig)
 &rst
  ixpk= 492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  79,  87, 227,
 igr2= 248, 249, 250,
 &end
#
#    0 AMB  20-2:493      3 ILE  QG2         5.50    (#    493:20  Single Ambig)
 &rst
  ixpk= 493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  33,1570,
 igr2=  39,  40,  41,
 &end
#
#    4 ILE  HN            3 ILE  QG2         4.50    (#    494:20  Unique         2.60, 3.46 A)
 &rst
  ixpk= 494, nxpk= 20, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  39,  40,  41,
 &end
#
#    0 AMB  20-2:495      3 ILE  QG2         5.50    (#    495:20  Single Ambig)
 &rst
  ixpk= 495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  79,  87, 306, 314,
 igr2=  39,  40,  41,
 &end
#
#  108 TYR  QE            3 ILE  QG2         5.50    (#    496:20  Unique         5.63, 7.31 A)
 &rst
  ixpk= 496, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1670,1675,
 igr2=  39,  40,  41,
 &end
#
#  131 ARG  HN           16 MET  HE1         4.50    (#    497:20  Unique         3.40, 4.22 A)
 &rst
  ixpk= 497, nxpk= 20, iat=1995,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 238, 239, 240,
 &end
#
#  130 THR  HN           16 MET  HE1         5.50    (#    498:20  Unique         4.81, 5.87 A)
 &rst
  ixpk= 498, nxpk= 20, iat=1981,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 238, 239, 240,
 &end
#
#    0 AMB  20-2:499     16 MET  HE1         7.00    (#    499:20  Single Ambig)
 &rst
  ixpk= 499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 244,2031,
 igr2= 238, 239, 240,
 &end
#
#  127 TYR  HD2          16 MET  HE1         5.50    (#    500:20  Unique         2.62, 5.17 A)
 &rst
  ixpk= 500, nxpk= 20, iat=1929,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 238, 239, 240,
 &end
#
#  127 TYR  QD           16 MET  HE1         5.50    (#    501:20  Unique         2.20, 5.20 A)
 &rst
  ixpk= 501, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1929,1938,
 igr2= 238, 239, 240,
 &end
#
#    0 AMB  20-2:502     16 MET  HE1         7.00    (#    502:20  Single Ambig)
 &rst
  ixpk= 502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 782,2046,
 igr2= 238, 239, 240,
 &end
#
#   16 MET  HN           16 MET  HE1         5.50    (#    503:20  Unique         5.11, 5.84 A)
 &rst
  ixpk= 503, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 238, 239, 240,
 &end
#
#    0 AMB  20-2:504     24 ILE  QD1         5.50    (#    504:20  Single Ambig)
 &rst
  ixpk= 504, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 298,2114,
 igr2= 364, 365, 366,
 &end
#
#  139 ARG  HN           24 ILE  QD1         5.50    (#    505:20  Unique         2.98, 3.79 A)
 &rst
  ixpk= 505, nxpk= 20, iat=2133,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 364, 365, 366,
 &end
#
#   24 ILE  HN           24 ILE  QD1         5.50    (#    506:20  Unique         3.70, 4.52 A)
 &rst
  ixpk= 506, nxpk= 20, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 364, 365, 366,
 &end
#
#    0 AMB  20-2:507     24 ILE  QD1         5.50    (#    507:20  Single Ambig)
 &rst
  ixpk= 507, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2157, 314,
 igr2= 364, 365, 366,
 &end
#
#   95 PHE  QD           74 MET  HE          4.50    (#    508:20  Unique         2.15, 4.84 A)
 &rst
  ixpk= 508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1432,1440,
 igr2=1109,1110,1111,
 &end
#
#   98 TYR  HN           74 MET  HE          5.50    (#    509:20  Unique         4.50, 5.55 A)
 &rst
  ixpk= 509, nxpk= 20, iat=1475,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1109,1110,1111,
 &end
#
#    0 AMB  20-2:510     74 MET  HE          4.50    (#    510:20  Single Ambig)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1434,1438,1483,1492,
 igr2=1109,1110,1111,
 &end
#
#   98 TYR  HA           74 MET  HE          5.50    (#    511:20  Unique         4.84, 5.54 A)
 &rst
  ixpk= 511, nxpk= 20, iat=1477,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1109,1110,1111,
 &end
#
#   95 PHE  HD2          74 MET  HE          5.50    (#    512:20  Unique         5.53, 6.69 A)
 &rst
  ixpk= 512, nxpk= 20, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1109,1110,1111,
 &end
#
#   74 MET  HN           74 MET  HE          5.50    (#    513:20  Unique         5.32, 6.21 A)
 &rst
  ixpk= 513, nxpk= 20, iat=1098,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1109,1110,1111,
 &end
#
#   91 ILE  HN           91 ILE  QD1         4.50    (#    514:20  Unique         3.42, 4.20 A)
 &rst
  ixpk= 514, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1380,1381,1382,
 &end
#
#    0 AMB  20-2:515    124 ILE  QD1         4.50    (#    515:20  Single Ambig)
 &rst
  ixpk= 515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 782, 767,1871,
 igr2=1884,1885,1886,
 &end
#
#    0 AMB  20-2:516    124 ILE  QD1         5.50    (#    516:20  Single Ambig)
 &rst
  ixpk= 516, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1921,1890,1964,
 igr2=1884,1885,1886,
 &end
#
#    0 AMB  20-2:517      3 ILE  QD1         4.50    (#    517:20  Single Ambig)
 &rst
  ixpk= 517, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 308, 312,  81,  85,
 igr2=  46,  47,  48,
 &end
#
#    0 AMB  20-2:519      3 ILE  QD1         5.50    (#    519:20  Single Ambig)
 &rst
  ixpk= 519, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  33, 504,
 igr2=  46,  47,  48,
 &end
#
#   21 PHE  HD2           3 ILE  QD1         5.50    (#    520:20  Unique         3.74, 4.62 A)
 &rst
  ixpk= 520, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  46,  47,  48,
 &end
#
#   21 PHE  QD            3 ILE  QD1         5.50    (#    521:20  Unique         3.74, 5.43 A)
 &rst
  ixpk= 521, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 306, 314,
 igr2=  46,  47,  48,
 &end
#
#  135 GLU  HN          135 GLU  HA          5.50    (#    522:20  Unique         2.82, 2.84 A)
 &rst
  ixpk= 522, nxpk= 20, iat=2065,2067, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90 ILE  HN           90 ILE  QD1         4.50    (#    523:20  Unique         3.56, 4.27 A)
 &rst
  ixpk= 523, nxpk= 20, iat=1348,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1361,1362,1363,
 &end
#
#   40 PHE  QD           90 ILE  QD1         3.80    (#    524:20  Unique         3.19, 6.52 A)
 &rst
  ixpk= 524, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 596, 604,
 igr2=1361,1362,1363,
 &end
#
#   87 HIS  HD2          90 ILE  QD1         6.00    (#    525:20  Unique         2.43, 5.30 A)
 &rst
  ixpk= 525, nxpk= 20, iat=1305,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1361,1362,1363,
 &end
#
#   60 ILE  HN           60 ILE  QD1         5.50    (#    526:20  Unique         4.16, 4.91 A)
 &rst
  ixpk= 526, nxpk= 20, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 898, 899, 900,
 &end
#
#   95 PHE  HD2          71 GLU  HA          5.50    (#    527:20  Unique         3.73, 3.84 A)
 &rst
  ixpk= 527, nxpk= 20, iat=1440,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 GLU  HN           75 GLU  HA          5.50    (#    528:20  Unique         2.87, 2.89 A)
 &rst
  ixpk= 528, nxpk= 20, iat=1115,1117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  126 ILE  HN          126 ILE  QD1         5.50    (#    530:20  Unique         3.13, 3.96 A)
 &rst
  ixpk= 530, nxpk= 20, iat=1902,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1915,1916,1917,
 &end
#
#   25 ALA  HN           25 ALA  HA          5.50    (#    531:20  Unique         2.83, 2.83 A)
 &rst
  ixpk= 531, nxpk= 20, iat= 370, 372, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 LEU  HN           25 ALA  HA          5.50    (#    532:20  Unique         2.93, 3.08 A)
 &rst
  ixpk= 532, nxpk= 20, iat= 441, 372, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 SER  HA           68 PRO  HD-         4.50    (#    533:20  Unique         2.39, 2.51 A)
 &rst
  ixpk= 533, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1003,1004,
 &end
#
#   79 LEU  HN           79 LEU  HB+         4.50    (#    534:20  Unique         2.67, 2.94 A)
 &rst
  ixpk= 534, nxpk= 20, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1167,1168,
 &end
#
#  124 ILE  HN          123 SER  HB+         5.50    (#    544:20  Unique         2.38, 3.08 A)
 &rst
  ixpk= 544, nxpk= 20, iat=1871,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1864,1865,
 &end
#
#    0 AMB  20-2:545      0 AMB  20-1:545    5.50    (#    545:20  Double Ambig)
 &rst
  ixpk= 545, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1141,1929,
 igr2=1134,1135,1923,
 &end
#
#   76 SER  HN           76 SER  HB+         5.50    (#    546:20  Unique         2.52, 3.07 A)
 &rst
  ixpk= 546, nxpk= 20, iat=1130,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1134,1135,
 &end
#
#  109 VAL  HN          109 VAL  HA          5.50    (#    547:20  Unique         2.89, 2.95 A)
 &rst
  ixpk= 547, nxpk= 20, iat=1681,1683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 SER  HN           42 SER  HB+         3.50    (#    548:20  Unique         2.57, 3.25 A)
 &rst
  ixpk= 548, nxpk= 20, iat= 618,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 622, 623,
 &end
#
#   94 GLN  HN           93 SER  HB+         4.50    (#    549:20  Unique         2.75, 3.38 A)
 &rst
  ixpk= 549, nxpk= 20, iat=1407,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1400,1401,
 &end
#
#   93 SER  HN           93 SER  HB+         3.50    (#    550:20  Unique         2.49, 3.07 A)
 &rst
  ixpk= 550, nxpk= 20, iat=1396,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1400,1401,
 &end
#
#   24 ILE  HN           23 SER  HB+         5.50    (#    551:20  Unique         2.67, 3.33 A)
 &rst
  ixpk= 551, nxpk= 20, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 344, 345,
 &end
#
#   23 SER  HN           23 SER  HB+         4.50    (#    552:20  Unique         2.55, 3.09 A)
 &rst
  ixpk= 552, nxpk= 20, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 344, 345,
 &end
#
#    0 AMB  20-2:555    126 ILE  HA          5.50    (#    555:20  Single Ambig)
 &rst
  ixpk= 555, nxpk= 20, iat=  -1,1904, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1964,1921,
 &end
#
#  117 LEU  HN          116 VAL  HA          4.50    (#    556:20  Unique         2.41, 2.62 A)
 &rst
  ixpk= 556, nxpk= 20, iat=1781,1767, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 THR  HN          110 THR  HA          5.50    (#    557:20  Unique         2.86, 2.96 A)
 &rst
  ixpk= 557, nxpk= 20, iat=1697,1699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 PHE  HD2          21 PHE  HA          4.50    (#    558:20  Unique         3.90, 3.98 A)
 &rst
  ixpk= 558, nxpk= 20, iat= 314, 300, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 PHE  HN           56 PHE  HA          5.50    (#    559:20  Unique         2.88, 2.89 A)
 &rst
  ixpk= 559, nxpk= 20, iat= 811, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:560     56 PHE  HA          5.50    (#    560:20  Single Ambig)
 &rst
  ixpk= 560, nxpk= 20, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 885, 831,
 &end
#
#   56 PHE  QE           56 PHE  HA          5.50    (#    561:20  Unique         4.44, 5.18 A)
 &rst
  ixpk= 561, nxpk= 20, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 821, 825,
 &end
#
#    0 AMB  20-2:562     23 SER  HA          5.50    (#    562:20  Single Ambig)
 &rst
  ixpk= 562, nxpk= 20, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 380, 395,
 &end
#
#   23 SER  HN           23 SER  HA          4.50    (#    563:20  Unique         2.83, 2.83 A)
 &rst
  ixpk= 563, nxpk= 20, iat= 340, 342, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:564     80 VAL  HA          3.50    (#    564:20  Single Ambig)
 &rst
  ixpk= 564, nxpk= 20, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1198,1182,
 &end
#
#   22 LYS  HN           22 LYS  HA          4.50    (#    565:20  Unique         2.84, 2.85 A)
 &rst
  ixpk= 565, nxpk= 20, iat= 318, 320, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   94 GLN  HN           93 SER  HA          5.50    (#    566:20  Unique         3.55, 3.58 A)
 &rst
  ixpk= 566, nxpk= 20, iat=1407,1398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   93 SER  HN           93 SER  HA          5.50    (#    567:20  Unique         2.85, 2.86 A)
 &rst
  ixpk= 567, nxpk= 20, iat=1396,1398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  139 ARG  HN          139 ARG  HA          5.50    (#    568:20  Unique         2.85, 2.87 A)
 &rst
  ixpk= 568, nxpk= 20, iat=2133,2135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 SER  HN           65 VAL  HA          3.50    (#    569:20  Unique         2.10, 2.14 A)
 &rst
  ixpk= 569, nxpk= 20, iat= 980, 966, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   72 GLU  HN           72 GLU  HA          4.50    (#    570:20  Unique         2.84, 2.84 A)
 &rst
  ixpk= 570, nxpk= 20, iat=1064,1066, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 ALA  HN           60 ILE  HA          4.50    (#    571:20  Unique         3.48, 3.51 A)
 &rst
  ixpk= 571, nxpk= 20, iat= 904, 887, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  133 GLU  HN            0 AMB  20-1:572    4.50    (#    572:20  Single Ambig)
 &rst
  ixpk= 572, nxpk= 20, iat=2031,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2033,1966,
 &end
#
#   76 SER  HN           76 SER  HA          5.50    (#    573:20  Unique         2.85, 2.87 A)
 &rst
  ixpk= 573, nxpk= 20, iat=1130,1132, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:574      0 AMB  20-1:574    4.50    (#    574:20  Double Ambig)
 &rst
  ixpk= 574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 767, 811,2046, 782,
 igr2= 769,2033,
 &end
#
#  129 GLN  HN          129 GLN  HA          4.50    (#    575:20  Unique         2.85, 2.86 A)
 &rst
  ixpk= 575, nxpk= 20, iat=1964,1966, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  143 LYS  HN          143 LYS  HA          5.50    (#    576:20  Unique         2.84, 2.87 A)
 &rst
  ixpk= 576, nxpk= 20, iat=2203,2205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  144 GLN  HN          143 LYS  HA          5.50    (#    577:20  Unique         3.56, 3.57 A)
 &rst
  ixpk= 577, nxpk= 20, iat=2225,2205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   99 ARG  HN           99 ARG  HA          4.50    (#    578:20  Unique         2.87, 2.90 A)
 &rst
  ixpk= 578, nxpk= 20, iat=1496,1498, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:579      0 AMB  20-1:579    4.50    (#    579:20  Double Ambig)
 &rst
  ixpk= 579, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 434, 792,
 igr2= 397, 769,
 &end
#
#    5 PHE  QD           18 GLU  HA          5.50    (#    580:20  Unique         2.73, 4.56 A)
 &rst
  ixpk= 580, nxpk= 20, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  79,  87,
 &end
#
#    0 AMB  20-2:581      0 AMB  20-1:581    4.50    (#    581:20  Double Ambig)
 &rst
  ixpk= 581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2157,1976,1977,
 igr2=2159,1966,
 &end
#
#   27 ARG  HN           27 ARG  HA          3.50    (#    582:20  Unique         2.86, 2.87 A)
 &rst
  ixpk= 582, nxpk= 20, iat= 395, 397, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 SER  HN           66 SER  HA          4.50    (#    583:20  Unique         2.35, 2.40 A)
 &rst
  ixpk= 583, nxpk= 20, iat= 991, 982, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 GLU  HN           27 ARG  HA          4.50    (#    584:20  Unique         3.50, 3.53 A)
 &rst
  ixpk= 584, nxpk= 20, iat= 419, 397, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:585      0 AMB  20-1:585    5.50    (#    585:20  Double Ambig)
 &rst
  ixpk= 585, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1645,1348,1729,
 igr2=1647,1294,
 &end
#
#    0 AMB  20-2:586      0 AMB  20-1:586    5.50    (#    586:20  Double Ambig)
 &rst
  ixpk= 586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1718,1292,
 igr2=1647,1294,
 &end
#
#  144 GLN  HN          144 GLN  HA          3.50    (#    587:20  Unique         2.82, 2.84 A)
 &rst
  ixpk= 587, nxpk= 20, iat=2225,2227, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   89 GLN  HN           89 GLN  HA          4.50    (#    588:20  Unique         2.85, 2.85 A)
 &rst
  ixpk= 588, nxpk= 20, iat=1331,1333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105 LEU  HN          105 LEU  HA          5.50    (#    589:20  Unique         2.70, 2.73 A)
 &rst
  ixpk= 589, nxpk= 20, iat=1604,1606, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 GLU  HN           57 GLU  HA          5.50    (#    590:20  Unique         2.83, 2.86 A)
 &rst
  ixpk= 590, nxpk= 20, iat= 831, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  146 LYS  HN          146 LYS  HA          3.50    (#    591:20  Unique         2.83, 2.87 A)
 &rst
  ixpk= 591, nxpk= 20, iat=2261,2263, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 LEU  HN           20 LEU  HA          5.50    (#    592:20  Unique         2.86, 2.87 A)
 &rst
  ixpk= 592, nxpk= 20, iat= 279, 281, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:593    125 ASP  HA          4.50    (#    593:20  Single Ambig)
 &rst
  ixpk= 593, nxpk= 20, iat=  -1,1892, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1890,1964,
 &end
#
#  141 LEU  HN          141 LEU  HA          5.50    (#    594:20  Unique         2.77, 2.82 A)
 &rst
  ixpk= 594, nxpk= 20, iat=2174,2176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 PHE  HN           94 GLN  HA          5.50    (#    595:20  Unique         3.52, 3.56 A)
 &rst
  ixpk= 595, nxpk= 20, iat=1424,1409, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   94 GLN  HN           94 GLN  HA          4.50    (#    596:20  Unique         2.90, 2.91 A)
 &rst
  ixpk= 596, nxpk= 20, iat=1407,1409, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  135 GLU  HN          132 ASP  HA          5.50    (#    597:20  Unique         3.51, 3.55 A)
 &rst
  ixpk= 597, nxpk= 20, iat=2065,2021, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  132 ASP  HN          132 ASP  HA          5.50    (#    598:20  Unique         2.85, 2.86 A)
 &rst
  ixpk= 598, nxpk= 20, iat=2019,2021, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  148 ASP  HN          147 LYS  HA          5.50    (#    599:20  Unique         3.21, 3.57 A)
 &rst
  ixpk= 599, nxpk= 20, iat=2305,2285, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  147 LYS  HN          147 LYS  HA          4.50    (#    600:20  Unique         2.79, 2.88 A)
 &rst
  ixpk= 600, nxpk= 20, iat=2283,2285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  150 ARG  HN          150 ARG  HA          4.50    (#    601:20  Unique         2.26, 2.72 A)
 &rst
  ixpk= 601, nxpk= 20, iat=2341,2343, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:602     73 LEU  HA          5.50    (#    602:20  Single Ambig)
 &rst
  ixpk= 602, nxpk= 20, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1079,1098,
 &end
#
#  123 SER  HN          123 SER  HA          5.50    (#    603:20  Unique         2.91, 2.92 A)
 &rst
  ixpk= 603, nxpk= 20, iat=1860,1862, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  124 ILE  HN          123 SER  HA          4.50    (#    604:20  Unique         2.48, 2.50 A)
 &rst
  ixpk= 604, nxpk= 20, iat=1871,1862, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  112 SER  HN          112 SER  HA          2.90    (#    605:20  Unique         2.81, 2.96 A)
 &rst
  ixpk= 605, nxpk= 20, iat=1718,1720, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#    0 AMB  20-2:606     50 HIS  HA          5.50    (#    606:20  Single Ambig)
 &rst
  ixpk= 606, nxpk= 20, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 767, 782,
 &end
#
#  141 LEU  HN          138 LEU  HA          5.50    (#    607:20  Unique         2.74, 2.82 A)
 &rst
  ixpk= 607, nxpk= 20, iat=2174,2116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  146 LYS  HN          145 LEU  HA          5.50    (#    608:20  Unique         3.53, 3.59 A)
 &rst
  ixpk= 608, nxpk= 20, iat=2261,2244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  145 LEU  HN          145 LEU  HA          4.50    (#    609:20  Unique         2.79, 2.85 A)
 &rst
  ixpk= 609, nxpk= 20, iat=2242,2244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  117 LEU  HN          117 LEU  HA          5.50    (#    610:20  Unique         2.23, 2.79 A)
 &rst
  ixpk= 610, nxpk= 20, iat=1781,1783, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  118 ASP  HN          117 LEU  HA          4.50    (#    611:20  Unique         2.18, 2.33 A)
 &rst
  ixpk= 611, nxpk= 20, iat=1800,1783, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 HIS  HN           59 HIS  HA          3.50    (#    612:20  Unique         2.19, 2.20 A)
 &rst
  ixpk= 612, nxpk= 20, iat= 868, 870, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ILE  HN           59 HIS  HA          5.50    (#    613:20  Unique         2.51, 2.56 A)
 &rst
  ixpk= 613, nxpk= 20, iat= 885, 870, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  150 ARG  HN          149 ARG  HA          3.50    (#    614:20  Unique         2.15, 3.00 A)
 &rst
  ixpk= 614, nxpk= 20, iat=2341,2319, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  103 PHE  QE          101 LYS  HA          5.50    (#    615:20  Unique         2.40, 4.99 A)
 &rst
  ixpk= 615, nxpk= 20, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1580,1584,
 &end
#
#  100 ASP  HN          100 ASP  HA          4.50    (#    616:20  Unique         2.75, 2.78 A)
 &rst
  ixpk= 616, nxpk= 20, iat=1520,1522, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  101 LYS  HN          100 ASP  HA          5.50    (#    617:20  Unique         3.52, 3.57 A)
 &rst
  ixpk= 617, nxpk= 20, iat=1532,1522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 GLY  HN           28 GLU  HA          5.50    (#    618:20  Unique         3.47, 3.50 A)
 &rst
  ixpk= 618, nxpk= 20, iat= 434, 421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 PHE  QE          142 ALA  HA          5.50    (#    619:20  Unique         2.72, 3.83 A)
 &rst
  ixpk= 619, nxpk= 20, iat=  -1,2195, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 308, 312,
 &end
#
#   21 PHE  QD          142 ALA  HA          5.50    (#    620:20  Unique         5.12, 5.93 A)
 &rst
  ixpk= 620, nxpk= 20, iat=  -1,2195, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 306, 314,
 &end
#
#  142 ALA  HN          142 ALA  HA          4.50    (#    621:20  Unique         2.84, 2.85 A)
 &rst
  ixpk= 621, nxpk= 20, iat=2193,2195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 ALA  HN           19 ALA  HA          4.50    (#    622:20  Unique         2.84, 2.85 A)
 &rst
  ixpk= 622, nxpk= 20, iat= 269, 271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:623      0 AMB  20-1:623    4.50    (#    623:20  Double Ambig)
 &rst
  ixpk= 623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 139, 782,
 igr2= 141, 784,
 &end
#
#    0 AMB  20-2:624     92 ALA  HA          5.50    (#    624:20  Single Ambig)
 &rst
  ixpk= 624, nxpk= 20, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1386,1451,
 &end
#
#   93 SER  HN           92 ALA  HA          5.50    (#    625:20  Unique         3.55, 3.55 A)
 &rst
  ixpk= 625, nxpk= 20, iat=1396,1388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:626    148 ASP  HA          4.50    (#    626:20  Single Ambig)
 &rst
  ixpk= 626, nxpk= 20, iat=  -1,2307, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2317,2305,
 &end
#
#   80 VAL  HN           79 LEU  HA          4.50    (#    627:20  Unique         2.22, 2.26 A)
 &rst
  ixpk= 627, nxpk= 20, iat=1182,1165, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 ASN  HN           44 ASN  HA          5.50    (#    628:20  Unique         2.19, 2.73 A)
 &rst
  ixpk= 628, nxpk= 20, iat= 643, 645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 LEU  HN           30 LEU  HA          4.50    (#    629:20  Unique         2.93, 2.95 A)
 &rst
  ixpk= 629, nxpk= 20, iat= 441, 443, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 LYS  HN           58 LYS  HA          5.50    (#    630:20  Unique         2.87, 2.89 A)
 &rst
  ixpk= 630, nxpk= 20, iat= 846, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ASP  HN           77 ALA  HA          4.50    (#    631:20  Unique         2.42, 2.50 A)
 &rst
  ixpk= 631, nxpk= 20, iat=1151,1143, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 ALA  HN           77 ALA  HA          5.50    (#    632:20  Unique         2.87, 2.90 A)
 &rst
  ixpk= 632, nxpk= 20, iat=1141,1143, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 LEU  HN           61 ALA  HA          3.50    (#    634:20  Unique         2.35, 2.41 A)
 &rst
  ixpk= 634, nxpk= 20, iat= 914, 906, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:635     37 ALA  HA          5.50    (#    635:20  Single Ambig)
 &rst
  ixpk= 635, nxpk= 20, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 565, 555,
 &end
#
#   30 LEU  HN           29 GLY  HA+         5.50    (#    638:20  Unique         3.57, 7.61 A)
 &rst
  ixpk= 638, nxpk= 20, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 436, 437,
 &end
#
#   30 LEU  HN           29 GLY  HA-         5.50    (#    639:20  Unique         3.57, 7.61 A)
 &rst
  ixpk= 639, nxpk= 20, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 436, 437,
 &end
#
#  104 THR  MG2         104 THR  HA          4.50    (#    647:20  Unique         2.30, 2.93 A)
 &rst
  ixpk= 647, nxpk= 20, iat=  -1,1592, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1596,1597,1598,
 &end
#
#    6 VAL  MG2           6 VAL  HA          4.50    (#    648:20  Unique         2.53, 3.26 A)
 &rst
  ixpk= 648, nxpk= 20, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 101, 102, 103,
 &end
#
#    0 AMB  20-2:649      6 VAL  HA          4.50    (#    649:20  Single Ambig)
 &rst
  ixpk= 649, nxpk= 20, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  97,  98,  99, 582, 583, 584,
 &end
#
#   34 VAL  MG1          34 VAL  HA          4.50    (#    650:20  Unique         2.52, 3.26 A)
 &rst
  ixpk= 650, nxpk= 20, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 510, 511, 512,
 &end
#
#   84 THR  MG2          84 THR  HA          4.50    (#    651:20  Unique         2.40, 3.23 A)
 &rst
  ixpk= 651, nxpk= 20, iat=  -1,1246, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1250,1251,1252,
 &end
#
#    4 ILE  QG2          36 SER  HA          4.50    (#    652:20  Unique         2.77, 3.97 A)
 &rst
  ixpk= 652, nxpk= 20, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  58,  59,  60,
 &end
#
#   34 VAL  MG1          33 ASN  HA          5.50    (#    653:20  Unique         3.83, 4.77 A)
 &rst
  ixpk= 653, nxpk= 20, iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 510, 511, 512,
 &end
#
#    6 VAL  MG1          82 ALA  HA          5.50    (#    655:20  Unique         2.08, 3.05 A)
 &rst
  ixpk= 655, nxpk= 20, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  97,  98,  99,
 &end
#
#    5 PHE  HB+           5 PHE  HA          5.50    (#    656:20  Unique         2.49, 2.79 A)
 &rst
  ixpk= 656, nxpk= 20, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  75,  76,
 &end
#
#   40 PHE  HB-          40 PHE  HA          5.50    (#    657:20  Unique         2.43, 2.75 A)
 &rst
  ixpk= 657, nxpk= 20, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 592, 593,
 &end
#
#   33 ASN  HB+           2 ASP  HA          3.50    (#    658:20  Unique         2.49, 3.41 A)
 &rst
  ixpk= 658, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 494, 495,
 &end
#
#   78 ASP  HB-           2 ASP  HA          4.80    (#    659:20  Unique         4.78, 5.20 A)
 &rst
  ixpk= 659, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1155,1156,
 &end
#
#   33 ASN  HB+          33 ASN  HA          3.50    (#    660:20  Unique         2.50, 2.80 A)
 &rst
  ixpk= 660, nxpk= 20, iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 494, 495,
 &end
#
#   63 ASN  HB+          63 ASN  HA          5.50    (#    661:20  Unique         2.53, 2.84 A)
 &rst
  ixpk= 661, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 937, 938,
 &end
#
#   63 ASN  HB-          63 ASN  HA          5.50    (#    662:20  Unique         2.53, 2.84 A)
 &rst
  ixpk= 662, nxpk= 20, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 937, 938,
 &end
#
#   84 THR  MG2          84 THR  HB          5.50    (#    664:20  Unique         2.42, 2.65 A)
 &rst
  ixpk= 664, nxpk= 20, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1250,1251,1252,
 &end
#
#  110 THR  MG2         110 THR  HB          3.50    (#    665:20  Unique         2.40, 2.66 A)
 &rst
  ixpk= 665, nxpk= 20, iat=  -1,1701, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1703,1704,1705,
 &end
#
#   17 ALA  MB           14 SER  HA          4.50    (#    668:20  Unique         2.82, 3.72 A)
 &rst
  ixpk= 668, nxpk= 20, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 248, 249, 250,
 &end
#
#   41 ALA  MB           66 SER  HB+         4.50    (#    669:20  Unique         2.18, 3.85 A)
 &rst
  ixpk= 669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 612, 613, 614,
 igr2= 984, 985,
 &end
#
#  109 VAL  HB          109 VAL  HA          5.50    (#    670:20  Unique         3.03, 3.03 A)
 &rst
  ixpk= 670, nxpk= 20, iat=1685,1683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  109 VAL  MG2         109 VAL  HA          3.50    (#    671:20  Unique         2.52, 3.23 A)
 &rst
  ixpk= 671, nxpk= 20, iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1691,1692,1693,
 &end
#
#  109 VAL  MG1         109 VAL  HA          3.50    (#    672:20  Unique         2.42, 3.06 A)
 &rst
  ixpk= 672, nxpk= 20, iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1687,1688,1689,
 &end
#
#    0 AMB  20-2:673     39 VAL  HA          4.50    (#    673:20  Single Ambig)
 &rst
  ixpk= 673, nxpk= 20, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 576,1020,1021,
 &end
#
#    0 AMB  20-2:674     39 VAL  HA          5.50    (#    674:20  Single Ambig)
 &rst
  ixpk= 674, nxpk= 20, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1020,1021, 101, 102, 103,
 &end
#
#   39 VAL  MG2          39 VAL  HA          4.50    (#    675:20  Unique         2.59, 3.48 A)
 &rst
  ixpk= 675, nxpk= 20, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 582, 583, 584,
 &end
#
#    0 AMB  20-2:676      0 AMB  20-1:676    5.50    (#    676:20  Double Ambig)
 &rst
  ixpk= 676, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1=1083,1084, 612, 613, 614,
 igr2=1134,1135, 622, 623,
 &end
#
#   39 VAL  MG1          39 VAL  HA          4.50    (#    677:20  Unique         2.37, 3.01 A)
 &rst
  ixpk= 677, nxpk= 20, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 578, 579, 580,
 &end
#
#   43 PRO  HB+          43 PRO  HA          4.50    (#    678:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 678, nxpk= 20, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 636, 637,
 &end
#
#   43 PRO  HB-          43 PRO  HA          4.50    (#    679:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 679, nxpk= 20, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 636, 637,
 &end
#
#   92 ALA  MB           93 SER  HB+         5.50    (#    680:20  Unique         4.63, 6.16 A)
 &rst
  ixpk= 680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1390,1391,1392,
 igr2=1400,1401,
 &end
#
#    0 AMB  20-2:681      0 AMB  20-1:681    5.50    (#    681:20  Double Ambig)
 &rst
  ixpk= 681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1414,1415,1335,1336,
 igr2=1400,1401,1400,1401,
 &end
#
#   90 ILE  HG1-         93 SER  HB+         5.50    (#    683:20  Unique         4.57, 5.62 A)
 &rst
  ixpk= 683, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1358,1359,
 igr2=1400,1401,
 &end
#
#    0 AMB  20-2:684      0 AMB  20-1:684    3.50    (#    684:20  Double Ambig)
 &rst
  ixpk= 684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1915,1916,1917, 898, 899, 900,
 igr2=1904, 344, 345,
 &end
#
#    0 AMB  20-2:685      0 AMB  20-1:685    4.50    (#    685:20  Double Ambig)
 &rst
  ixpk= 685, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
 igr1=1908,1909,1910, 895, 896, 361, 362,
 igr2=1904, 344, 345, 344, 345,
 &end
#
#    0 AMB  20-2:686    126 ILE  HA          4.50    (#    686:20  Single Ambig)
 &rst
  ixpk= 686, nxpk= 20, iat=  -1,1904, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1968,1969,1906,
 &end
#
#   11 THR  MG2          11 THR  HA          4.50    (#    687:20  Unique         2.35, 3.00 A)
 &rst
  ixpk= 687, nxpk= 20, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 159, 160, 161,
 &end
#
#  129 GLN  HB-         126 ILE  HA          4.50    (#    688:20  Unique         2.60, 3.58 A)
 &rst
  ixpk= 688, nxpk= 20, iat=  -1,1904, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1968,1969,
 &end
#
#  116 VAL  MG2         116 VAL  HA          4.50    (#    689:20  Unique         2.52, 3.26 A)
 &rst
  ixpk= 689, nxpk= 20, iat=  -1,1767, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1775,1776,1777,
 &end
#
#  116 VAL  MG1         116 VAL  HA          4.50    (#    690:20  Unique         2.50, 3.18 A)
 &rst
  ixpk= 690, nxpk= 20, iat=  -1,1767, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1771,1772,1773,
 &end
#
#  119 PRO  HB+         119 PRO  HA          4.50    (#    691:20  Unique         2.34, 2.53 A)
 &rst
  ixpk= 691, nxpk= 20, iat=  -1,1822, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1819,1820,
 &end
#
#  126 ILE  QG2         119 PRO  HA          3.50    (#    692:20  Unique         2.07, 2.66 A)
 &rst
  ixpk= 692, nxpk= 20, iat=  -1,1822, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1908,1909,1910,
 &end
#
#  119 PRO  HB-         119 PRO  HA          5.50    (#    693:20  Unique         2.34, 2.53 A)
 &rst
  ixpk= 693, nxpk= 20, iat=  -1,1822, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1819,1820,
 &end
#
#  137 LEU  MD1         106 LYS  HA          4.50    (#    694:20  Unique         2.83, 4.03 A)
 &rst
  ixpk= 694, nxpk= 20, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2104,2105,2106,
 &end
#
#  106 LYS  HB+         106 LYS  HA          4.50    (#    695:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 695, nxpk= 20, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1627,1628,
 &end
#
#    0 AMB  20-2:696    106 LYS  HA          3.50    (#    696:20  Single Ambig)
 &rst
  ixpk= 696, nxpk= 20, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1630,1631,1703,1704,1705,1691,1692,1693,
 &end
#
#    0 AMB  20-2:697     21 PHE  HA          4.50    (#    697:20  Single Ambig)
 &rst
  ixpk= 697, nxpk= 20, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 355,2118,2119,
 &end
#
#    0 AMB  20-2:698     21 PHE  HA          3.50    (#    698:20  Single Ambig)
 &rst
  ixpk= 698, nxpk= 20, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 364, 365, 366, 357, 358, 359,2123,2124,2125,
 &end
#
#   26 GLU  HB+          23 SER  HA          4.50    (#    699:20  Unique         2.61, 3.23 A)
 &rst
  ixpk= 699, nxpk= 20, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 384, 385,
 &end
#
#  104 THR  MG2          85 HIS  HA          4.50    (#    701:20  Unique         2.72, 3.70 A)
 &rst
  ixpk= 701, nxpk= 20, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1596,1597,1598,
 &end
#
#    0 AMB  20-2:702     80 VAL  HA          3.50    (#    702:20  Single Ambig)
 &rst
  ixpk= 702, nxpk= 20, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1188,1189,1190,  97,  98,  99,
 &end
#
#   80 VAL  MG2          80 VAL  HA          3.50    (#    703:20  Unique         2.49, 3.17 A)
 &rst
  ixpk= 703, nxpk= 20, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1192,1193,1194,
 &end
#
#   88 LYS  HB-          85 HIS  HA          4.50    (#    704:20  Unique         2.19, 2.76 A)
 &rst
  ixpk= 704, nxpk= 20, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1313,1314,
 &end
#
#    0 AMB  20-2:705     22 LYS  HA          3.50    (#    705:20  Single Ambig)
 &rst
  ixpk= 705, nxpk= 20, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 322, 323, 322, 323,
 &end
#
#   22 LYS  HG-          22 LYS  HA          4.50    (#    706:20  Unique         2.33, 2.63 A)
 &rst
  ixpk= 706, nxpk= 20, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 325, 326,
 &end
#
#   22 LYS  HG+          22 LYS  HA          4.50    (#    707:20  Unique         2.33, 2.63 A)
 &rst
  ixpk= 707, nxpk= 20, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 325, 326,
 &end
#
#    0 AMB  20-2:708      0 AMB  20-1:708    5.50    (#    708:20  Double Ambig)
 &rst
  ixpk= 708, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1316,1317, 510, 511, 512,
 igr2=1260, 320,
 &end
#
#   25 ALA  MB           22 LYS  HA          4.50    (#    709:20  Unique         2.58, 3.51 A)
 &rst
  ixpk= 709, nxpk= 20, iat=  -1, 320, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 374, 375, 376,
 &end
#
#   48 THR  MG2          48 THR  HA          4.50    (#    710:20  Unique         2.55, 3.29 A)
 &rst
  ixpk= 710, nxpk= 20, iat=  -1, 698, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 702, 703, 704,
 &end
#
#  139 ARG  HB-         139 ARG  HA          4.50    (#    711:20  Unique         2.49, 2.80 A)
 &rst
  ixpk= 711, nxpk= 20, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2137,2138,
 &end
#
#  139 ARG  HG+         139 ARG  HA          4.50    (#    712:20  Unique         2.30, 2.75 A)
 &rst
  ixpk= 712, nxpk= 20, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2140,2141,
 &end
#
#    0 AMB  20-2:713    139 ARG  HA          4.50    (#    713:20  Single Ambig)
 &rst
  ixpk= 713, nxpk= 20, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=2197,2198,2199,2210,2211,
 &end
#
#    0 AMB  20-2:714    139 ARG  HA          3.00    (#    714:20  Single Ambig)
 &rst
  ixpk= 714, nxpk= 20, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 357, 358, 359, 364, 365, 366,
 &end
#
#   65 VAL  MG2          65 VAL  HA          4.50    (#    715:20  Unique         2.53, 3.19 A)
 &rst
  ixpk= 715, nxpk= 20, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 974, 975, 976,
 &end
#
#    0 AMB  20-2:716     65 VAL  HA          4.50    (#    716:20  Single Ambig)
 &rst
  ixpk= 716, nxpk= 20, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 668, 669, 968,
 &end
#
#   65 VAL  MG1          65 VAL  HA          4.50    (#    717:20  Unique         2.44, 3.12 A)
 &rst
  ixpk= 717, nxpk= 20, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 970, 971, 972,
 &end
#
#    0 AMB  20-2:718    139 ARG  HA          3.50    (#    718:20  Single Ambig)
 &rst
  ixpk= 718, nxpk= 20, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2140,2141,2137,2138,
 &end
#
#   16 MET  HE1          16 MET  HA          4.50    (#    719:20  Unique         4.44, 5.13 A)
 &rst
  ixpk= 719, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 238, 239, 240,
 &end
#
#    0 AMB  20-2:720     16 MET  HA          3.50    (#    720:20  Single Ambig)
 &rst
  ixpk= 720, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 234, 235, 801, 802, 803,
 &end
#
#   61 ALA  MB           60 ILE  HA          5.50    (#    721:20  Unique         4.49, 5.16 A)
 &rst
  ixpk= 721, nxpk= 20, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 908, 909, 910,
 &end
#
#   60 ILE  QG2          60 ILE  HA          3.50    (#    722:20  Unique         2.45, 3.16 A)
 &rst
  ixpk= 722, nxpk= 20, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 891, 892, 893,
 &end
#
#    0 AMB  20-2:723     72 GLU  HA          3.50    (#    723:20  Single Ambig)
 &rst
  ixpk= 723, nxpk= 20, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1122,1123,1071,1072,
 &end
#
#   72 GLU  HB-          72 GLU  HA          3.00    (#    724:20  Unique         2.40, 2.43 A)
 &rst
  ixpk= 724, nxpk= 20, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1068,1069,
 &end
#
#    0 AMB  20-2:725     60 ILE  HA          5.50    (#    725:20  Single Ambig)
 &rst
  ixpk= 725, nxpk= 20, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 895, 896, 889,
 &end
#
#   60 ILE  HG1+         60 ILE  HA          4.50    (#    726:20  Unique         2.44, 2.80 A)
 &rst
  ixpk= 726, nxpk= 20, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 895, 896,
 &end
#
#    0 AMB  20-2:727     72 GLU  HA          3.00    (#    727:20  Single Ambig)
 &rst
  ixpk= 727, nxpk= 20, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1068,1069,1119,1120,
 &end
#
#    0 AMB  20-2:728      0 AMB  20-1:728    3.00    (#    728:20  Double Ambig)
 &rst
  ixpk= 728, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 774, 775,2038,2039,2087,2088,2035,2036,
 igr2= 769,2033,2082,
 &end
#
#    0 AMB  20-2:729    143 LYS  HA          3.00    (#    729:20  Single Ambig)
 &rst
  ixpk= 729, nxpk= 20, iat=  -1,2205, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2265,2266,2207,2208,
 &end
#
#    0 AMB  20-2:730      0 AMB  20-1:730    3.00    (#    730:20  Double Ambig)
 &rst
  ixpk= 730, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 771, 772,2035,2036,2084,2085,2084,2085,
 igr2= 769,2033,2082,
 &end
#
#    0 AMB  20-2:731      0 AMB  20-1:731    4.50    (#    731:20  Double Ambig)
 &rst
  ixpk= 731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=2023,2024,2023,2024,
 igr2=1966,2033,
 &end
#
#    0 AMB  20-2:732    143 LYS  HA          3.50    (#    732:20  Single Ambig)
 &rst
  ixpk= 732, nxpk= 20, iat=  -1,2205, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2213,2214,2210,2211,
 &end
#
#  143 LYS  HG-         143 LYS  HA          4.50    (#    733:20  Unique         2.45, 2.98 A)
 &rst
  ixpk= 733, nxpk= 20, iat=  -1,2205, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2210,2211,
 &end
#
#    0 AMB  20-2:734      0 AMB  20-1:734    4.50    (#    734:20  Double Ambig)
 &rst
  ixpk= 734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1503,1504, 325, 326,
 igr2=1498, 256,
 &end
#
#  102 VAL  MG2          99 ARG  HA          3.50    (#    735:20  Unique         2.17, 3.00 A)
 &rst
  ixpk= 735, nxpk= 20, iat=  -1,1498, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1564,1565,1566,
 &end
#
#    0 AMB  20-2:736      0 AMB  20-1:736    4.50    (#    736:20  Double Ambig)
 &rst
  ixpk= 736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1794,1795,1796,1884,1885,1886, 364, 365, 366,2104,
      2105,2106,
 igr2=1966, 769,2082,2033,
 &end
#
#    0 AMB  20-2:737      0 AMB  20-1:737    3.50    (#    737:20  Double Ambig)
 &rst
  ixpk= 737, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=2164,2165,1971,1972,
 igr2=2159,1966,
 &end
#
#    0 AMB  20-2:738      0 AMB  20-1:738    3.50    (#    738:20  Double Ambig)
 &rst
  ixpk= 738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 514, 515, 516,1390,1391,1392,
 igr2= 256,1498,
 &end
#
#    0 AMB  20-2:739      0 AMB  20-1:739    3.50    (#    739:20  Double Ambig)
 &rst
  ixpk= 739, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 258, 259,1500,1501,1558,
 igr2= 256,1498,
 &end
#
#    0 AMB  20-2:740     18 GLU  HA          4.50    (#    740:20  Single Ambig)
 &rst
  ixpk= 740, nxpk= 20, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 261, 262, 508,
 &end
#
#   90 ILE  QD1          87 HIS  HA          4.50    (#    741:20  Unique         2.27, 3.49 A)
 &rst
  ixpk= 741, nxpk= 20, iat=  -1,1294, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1361,1362,1363,
 &end
#
#    0 AMB  20-2:742      0 AMB  20-1:742    4.50    (#    742:20  Double Ambig)
 &rst
  ixpk= 742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 757, 758, 759,1687,1688,1689, 761, 762, 763,
 igr2= 769,2159,
 &end
#
#    0 AMB  20-2:743     87 HIS  HA          3.50    (#    743:20  Single Ambig)
 &rst
  ixpk= 743, nxpk= 20, iat=  -1,1294, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1352,1358,1359,1377,1378,
 &end
#
#   27 ARG  HB+          27 ARG  HA          3.00    (#    744:20  Unique         2.24, 2.63 A)
 &rst
  ixpk= 744, nxpk= 20, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 399, 400,
 &end
#
#  107 GLU  HB+         107 GLU  HA          3.50    (#    745:20  Unique         2.42, 2.73 A)
 &rst
  ixpk= 745, nxpk= 20, iat=  -1,1647, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1649,1650,
 &end
#
#  107 GLU  HB-         107 GLU  HA          4.50    (#    746:20  Unique         2.42, 2.73 A)
 &rst
  ixpk= 746, nxpk= 20, iat=  -1,1647, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1649,1650,
 &end
#
#   27 ARG  HG-          27 ARG  HA          3.50    (#    747:20  Unique         3.10, 3.66 A)
 &rst
  ixpk= 747, nxpk= 20, iat=  -1, 397, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 402, 403,
 &end
#
#  147 LYS  HB+         144 GLN  HA          3.50    (#    748:20  Unique         2.45, 3.40 A)
 &rst
  ixpk= 748, nxpk= 20, iat=  -1,2227, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2287,2288,
 &end
#
#  147 LYS  HD+         144 GLN  HA          5.50    (#    749:20  Unique         3.29, 5.07 A)
 &rst
  ixpk= 749, nxpk= 20, iat=  -1,2227, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2293,2294,
 &end
#
#    0 AMB  20-2:750    144 GLN  HA          3.00    (#    750:20  Single Ambig)
 &rst
  ixpk= 750, nxpk= 20, iat=  -1,2227, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2232,2233,2229,2230,
 &end
#
#   89 GLN  HB-          89 GLN  HA          3.00    (#    751:20  Unique         2.47, 2.80 A)
 &rst
  ixpk= 751, nxpk= 20, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1335,1336,
 &end
#
#   89 GLN  HG-          89 GLN  HA          3.50    (#    752:20  Unique         2.55, 2.84 A)
 &rst
  ixpk= 752, nxpk= 20, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1338,1339,
 &end
#
#   92 ALA  MB           89 GLN  HA          3.50    (#    753:20  Unique         2.55, 3.42 A)
 &rst
  ixpk= 753, nxpk= 20, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1390,1391,1392,
 &end
#
#   57 GLU  HG-          57 GLU  HA          4.50    (#    754:20  Unique         2.40, 2.87 A)
 &rst
  ixpk= 754, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 838, 839,
 &end
#
#   57 GLU  HB-          57 GLU  HA          3.50    (#    755:20  Unique         2.48, 2.78 A)
 &rst
  ixpk= 755, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 835, 836,
 &end
#
#   57 GLU  HB+          57 GLU  HA          3.50    (#    756:20  Unique         2.48, 2.78 A)
 &rst
  ixpk= 756, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 835, 836,
 &end
#
#   57 GLU  HG+          57 GLU  HA          4.50    (#    757:20  Unique         2.40, 2.87 A)
 &rst
  ixpk= 757, nxpk= 20, iat=  -1, 833, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 838, 839,
 &end
#
#  105 LEU  HB-         105 LEU  HA          5.50    (#    758:20  Unique         2.43, 2.74 A)
 &rst
  ixpk= 758, nxpk= 20, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1608,1609,
 &end
#
#  105 LEU  MD1         105 LEU  HA          3.50    (#    759:20  Unique         2.17, 2.91 A)
 &rst
  ixpk= 759, nxpk= 20, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1613,1614,1615,
 &end
#
#   81 LEU  HG          105 LEU  HA          4.50    (#    760:20  Unique         4.38, 4.48 A)
 &rst
  ixpk= 760, nxpk= 20, iat=1205,1606, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  146 LYS  HB+         146 LYS  HA          3.00    (#    762:20  Unique         2.61, 2.85 A)
 &rst
  ixpk= 762, nxpk= 20, iat=  -1,2263, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2265,2266,
 &end
#
#   30 LEU  MD1         146 LYS  HA          4.50    (#    763:20  Unique         3.37, 4.99 A)
 &rst
  ixpk= 763, nxpk= 20, iat=  -1,2263, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 450, 451, 452,
 &end
#
#  146 LYS  HG-         146 LYS  HA          3.50    (#    764:20  Unique         2.26, 2.63 A)
 &rst
  ixpk= 764, nxpk= 20, iat=  -1,2263, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2268,2269,
 &end
#
#    0 AMB  20-2:765      0 AMB  20-1:765    3.50    (#    765:20  Double Ambig)
 &rst
  ixpk= 765, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 796, 797,1503,1504, 799,
 igr2= 794,1453,
 &end
#
#    0 AMB  20-2:766      0 AMB  20-1:766    3.00    (#    766:20  Double Ambig)
 &rst
  ixpk= 766, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1455,1456, 889, 786, 787, 788,
 igr2=1453, 794,
 &end
#
#    0 AMB  20-2:767      0 AMB  20-1:767    3.00    (#    767:20  Double Ambig)
 &rst
  ixpk= 767, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 283, 284,1455,1456,
 igr2= 281,1453,
 &end
#
#    0 AMB  20-2:768     20 LEU  HA          3.00    (#    768:20  Single Ambig)
 &rst
  ixpk= 768, nxpk= 20, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 898, 899, 900, 286,
 &end
#
#  134 LEU  HG          134 LEU  HA          4.50    (#    769:20  Unique         2.96, 3.04 A)
 &rst
  ixpk= 769, nxpk= 20, iat=2053,2048, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  134 LEU  MD1         134 LEU  HA          3.00    (#    770:20  Unique         2.18, 3.04 A)
 &rst
  ixpk= 770, nxpk= 20, iat=  -1,2048, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2055,2056,2057,
 &end
#
#  125 ASP  HB+         125 ASP  HA          4.50    (#    771:20  Unique         2.41, 2.74 A)
 &rst
  ixpk= 771, nxpk= 20, iat=  -1,1892, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1894,1895,
 &end
#
#  125 ASP  HB-         125 ASP  HA          4.50    (#    772:20  Unique         2.41, 2.74 A)
 &rst
  ixpk= 772, nxpk= 20, iat=  -1,1892, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1894,1895,
 &end
#
#    0 AMB  20-2:773      0 AMB  20-1:773    4.50    (#    773:20  Double Ambig)
 &rst
  ixpk= 773, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1946,1947,1234,1235,
 igr2=1892, 109,
 &end
#
#  109 VAL  MG2         141 LEU  HA          4.50    (#    775:20  Unique         2.87, 4.29 A)
 &rst
  ixpk= 775, nxpk= 20, iat=  -1,2176, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1691,1692,1693,
 &end
#
#    0 AMB  20-2:776    141 LEU  HA          4.50    (#    776:20  Single Ambig)
 &rst
  ixpk= 776, nxpk= 20, iat=  -1,2176, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2229,2230,2232,2233,
 &end
#
#  141 LEU  HB+         141 LEU  HA          5.50    (#    777:20  Unique         2.54, 2.83 A)
 &rst
  ixpk= 777, nxpk= 20, iat=  -1,2176, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2178,2179,
 &end
#
#  144 GLN  HB-         141 LEU  HA          5.50    (#    778:20  Unique         2.38, 3.49 A)
 &rst
  ixpk= 778, nxpk= 20, iat=  -1,2176, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2229,2230,
 &end
#
#  141 LEU  HB-         141 LEU  HA          3.50    (#    779:20  Unique         2.54, 2.83 A)
 &rst
  ixpk= 779, nxpk= 20, iat=  -1,2176, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2178,2179,
 &end
#
#  109 VAL  MG1         141 LEU  HA          4.50    (#    780:20  Unique         2.94, 4.75 A)
 &rst
  ixpk= 780, nxpk= 20, iat=  -1,2176, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1687,1688,1689,
 &end
#
#    0 AMB  20-2:781      0 AMB  20-1:781    3.00    (#    781:20  Double Ambig)
 &rst
  ixpk= 781, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2183,2184,2185, 101, 102, 103,
 igr2=2176, 109,
 &end
#
#    0 AMB  20-2:782    137 LEU  HA          4.50    (#    782:20  Single Ambig)
 &rst
  ixpk= 782, nxpk= 20, iat=  -1,2097, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1691,1692,1693,1775,1776,1777,
 &end
#
#  109 VAL  MG1         137 LEU  HA          4.50    (#    783:20  Unique         2.95, 4.25 A)
 &rst
  ixpk= 783, nxpk= 20, iat=  -1,2097, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1687,1688,1689,
 &end
#
#  146 LYS  HB-         146 LYS  HA          3.00    (#    784:20  Unique         2.61, 2.85 A)
 &rst
  ixpk= 784, nxpk= 20, iat=  -1,2263, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2265,2266,
 &end
#
#  146 LYS  HG+         146 LYS  HA          3.50    (#    785:20  Unique         2.26, 2.63 A)
 &rst
  ixpk= 785, nxpk= 20, iat=  -1,2263, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2268,2269,
 &end
#
#   94 GLN  HG-          94 GLN  HA          3.50    (#    786:20  Unique         3.77, 3.81 A)
 &rst
  ixpk= 786, nxpk= 20, iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1414,1415,
 &end
#
#   94 GLN  HB-          94 GLN  HA          3.50    (#    787:20  Unique         2.36, 2.39 A)
 &rst
  ixpk= 787, nxpk= 20, iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1411,1412,
 &end
#
#  134 LEU  HB+         134 LEU  HA          5.50    (#    788:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 788, nxpk= 20, iat=  -1,2048, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2050,2051,
 &end
#
#   94 GLN  HG+          94 GLN  HA          4.50    (#    789:20  Unique         3.77, 3.81 A)
 &rst
  ixpk= 789, nxpk= 20, iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1414,1415,
 &end
#
#   94 GLN  HB+          94 GLN  HA          3.50    (#    790:20  Unique         2.36, 2.39 A)
 &rst
  ixpk= 790, nxpk= 20, iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1411,1412,
 &end
#
#  132 ASP  HB+         132 ASP  HA          3.50    (#    791:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 791, nxpk= 20, iat=  -1,2021, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2023,2024,
 &end
#
#  135 GLU  HB+         132 ASP  HA          3.50    (#    792:20  Unique         3.00, 3.45 A)
 &rst
  ixpk= 792, nxpk= 20, iat=  -1,2021, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2069,2070,
 &end
#
#   73 LEU  HB-          73 LEU  HA          4.50    (#    793:20  Unique         2.44, 2.76 A)
 &rst
  ixpk= 793, nxpk= 20, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1083,1084,
 &end
#
#   73 LEU  MD2          73 LEU  HA          5.50    (#    794:20  Unique         4.41, 4.71 A)
 &rst
  ixpk= 794, nxpk= 20, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1092,1093,1094,
 &end
#
#  147 LYS  HB+         147 LYS  HA          3.00    (#    795:20  Unique         2.48, 2.79 A)
 &rst
  ixpk= 795, nxpk= 20, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2287,2288,
 &end
#
#  147 LYS  HD+         147 LYS  HA          4.50    (#    796:20  Unique         4.24, 4.59 A)
 &rst
  ixpk= 796, nxpk= 20, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2293,2294,
 &end
#
#  145 LEU  HB-         147 LYS  HA          7.00    (#    797:20  Unique         7.46, 7.76 A)
 &rst
  ixpk= 797, nxpk= 20, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2246,2247,
 &end
#
#  150 ARG  HB+         150 ARG  HA          3.00    (#    798:20  Unique         2.23, 2.63 A)
 &rst
  ixpk= 798, nxpk= 20, iat=  -1,2343, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2345,2346,
 &end
#
#  150 ARG  HB-         150 ARG  HA          4.50    (#    799:20  Unique         2.23, 2.63 A)
 &rst
  ixpk= 799, nxpk= 20, iat=  -1,2343, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2345,2346,
 &end
#
#  150 ARG  HG+         150 ARG  HA          4.50    (#    800:20  Unique         2.43, 3.52 A)
 &rst
  ixpk= 800, nxpk= 20, iat=  -1,2343, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2348,2349,
 &end
#
#    0 AMB  20-2:801     73 LEU  HA          3.50    (#    801:20  Single Ambig)
 &rst
  ixpk= 801, nxpk= 20, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1083,1084,1086,
 &end
#
#   73 LEU  MD1          73 LEU  HA          3.50    (#    802:20  Unique         2.23, 3.02 A)
 &rst
  ixpk= 802, nxpk= 20, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1088,1089,1090,
 &end
#
#    0 AMB  20-2:803     50 HIS  HA          3.50    (#    803:20  Single Ambig)
 &rst
  ixpk= 803, nxpk= 20, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 771, 772, 728,
 &end
#
#  124 ILE  QD1          50 HIS  HA          4.50    (#    804:20  Unique         2.51, 3.74 A)
 &rst
  ixpk= 804, nxpk= 20, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1884,1885,1886,
 &end
#
#   53 GLU  HB-          50 HIS  HA          4.50    (#    805:20  Unique         2.19, 2.75 A)
 &rst
  ixpk= 805, nxpk= 20, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 771, 772,
 &end
#
#  141 LEU  HB+         138 LEU  HA          4.50    (#    806:20  Unique         2.13, 2.68 A)
 &rst
  ixpk= 806, nxpk= 20, iat=  -1,2116, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2178,2179,
 &end
#
#    0 AMB  20-2:807    138 LEU  HA          4.50    (#    807:20  Single Ambig)
 &rst
  ixpk= 807, nxpk= 20, iat=  -1,2116, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2127,2128,2129,2108,2109,2110,
 &end
#
#    0 AMB  20-2:808    145 LEU  HA          4.50    (#    808:20  Single Ambig)
 &rst
  ixpk= 808, nxpk= 20, iat=  -1,2244, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2249,  15,  16,  17,
 &end
#
#  113 HIS  HB-         113 HIS  HA          2.60    (#    809:20  Unique         2.36, 2.56 A)
 &rst
  ixpk= 809, nxpk= 20, iat=  -1,1731, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1=1733,1734,
 &end
#
#    0 AMB  20-2:810    145 LEU  HA          3.50    (#    810:20  Single Ambig)
 &rst
  ixpk= 810, nxpk= 20, iat=  -1,2244, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2246,2247,2321,2322,
 &end
#
#  145 LEU  HB-         145 LEU  HA          3.00    (#    811:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 811, nxpk= 20, iat=  -1,2244, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=2246,2247,
 &end
#
#  145 LEU  MD2         145 LEU  HA          3.00    (#    812:20  Unique         2.10, 2.89 A)
 &rst
  ixpk= 812, nxpk= 20, iat=  -1,2244, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2255,2256,2257,
 &end
#
#  117 LEU  HB+         117 LEU  HA          4.50    (#    813:20  Unique         2.24, 2.75 A)
 &rst
  ixpk= 813, nxpk= 20, iat=  -1,1783, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1785,1786,
 &end
#
#  117 LEU  HB-         117 LEU  HA          4.50    (#    814:20  Unique         2.24, 2.75 A)
 &rst
  ixpk= 814, nxpk= 20, iat=  -1,1783, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1785,1786,
 &end
#
#  117 LEU  MD2         117 LEU  HA          4.50    (#    815:20  Unique         2.82, 4.10 A)
 &rst
  ixpk= 815, nxpk= 20, iat=  -1,1783, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1794,1795,1796,
 &end
#
#    0 AMB  20-2:816    149 ARG  HA          3.50    (#    816:20  Single Ambig)
 &rst
  ixpk= 816, nxpk= 20, iat=  -1,2319, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2321,2322,2246,2247,
 &end
#
#  149 ARG  HB-         149 ARG  HA          3.50    (#    817:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 817, nxpk= 20, iat=  -1,2319, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2321,2322,
 &end
#
#  149 ARG  HG+         149 ARG  HA          3.50    (#    818:20  Unique         2.30, 3.07 A)
 &rst
  ixpk= 818, nxpk= 20, iat=  -1,2319, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2324,2325,
 &end
#
#  100 ASP  HB+         100 ASP  HA          3.50    (#    819:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 819, nxpk= 20, iat=  -1,1522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1524,1525,
 &end
#
#  100 ASP  HB-         100 ASP  HA          3.50    (#    820:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 820, nxpk= 20, iat=  -1,1522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1524,1525,
 &end
#
#   51 ALA  MB           51 ALA  HA          3.50    (#    821:20  Unique         2.44, 2.68 A)
 &rst
  ixpk= 821, nxpk= 20, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 745, 746, 747,
 &end
#
#   28 GLU  HG+          28 GLU  HA          4.50    (#    822:20  Unique         2.98, 3.41 A)
 &rst
  ixpk= 822, nxpk= 20, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 426, 427,
 &end
#
#   28 GLU  HB+          28 GLU  HA          3.50    (#    823:20  Unique         2.51, 2.80 A)
 &rst
  ixpk= 823, nxpk= 20, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 423, 424,
 &end
#
#   54 ALA  MB           51 ALA  HA          3.50    (#    824:20  Unique         2.71, 3.52 A)
 &rst
  ixpk= 824, nxpk= 20, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 786, 787, 788,
 &end
#
#    0 AMB  20-2:825    142 ALA  HA          3.00    (#    825:20  Single Ambig)
 &rst
  ixpk= 825, nxpk= 20, iat=  -1,2195, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=2197,2198,2199,2178,2179,
 &end
#
#    0 AMB  20-2:826    142 ALA  HA          3.00    (#    826:20  Single Ambig)
 &rst
  ixpk= 826, nxpk= 20, iat=  -1,2195, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 450, 451, 452,2251,2252,2253,
 &end
#
#    0 AMB  20-2:827     69 LEU  HA          3.50    (#    827:20  Single Ambig)
 &rst
  ixpk= 827, nxpk= 20, iat=  -1,1018, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1092,1093,1094,1020,1021,
 &end
#
#    0 AMB  20-2:828     69 LEU  HA          3.50    (#    828:20  Single Ambig)
 &rst
  ixpk= 828, nxpk= 20, iat=  -1,1018, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 559, 560, 561,1023,
 &end
#
#   69 LEU  MD1          69 LEU  HA          4.50    (#    829:20  Unique         2.34, 2.93 A)
 &rst
  ixpk= 829, nxpk= 20, iat=  -1,1018, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1025,1026,1027,
 &end
#
#   78 ASP  HB-           1 MET  HA          5.50    (#    830:20  Unique         2.41, 3.24 A)
 &rst
  ixpk= 830, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1155,1156,
 &end
#
#    1 MET  HG+           1 MET  HA          4.50    (#    831:20  Unique         2.94, 3.49 A)
 &rst
  ixpk= 831, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  11,  12,
 &end
#
#    1 MET  HB-           1 MET  HA          4.50    (#    832:20  Unique         2.38, 2.76 A)
 &rst
  ixpk= 832, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=   8,   9,
 &end
#
#  145 LEU  HB+         142 ALA  HA          5.50    (#    833:20  Unique         2.48, 3.62 A)
 &rst
  ixpk= 833, nxpk= 20, iat=  -1,2195, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2246,2247,
 &end
#
#    0 AMB  20-2:834      1 MET  HA          4.50    (#    834:20  Single Ambig)
 &rst
  ixpk= 834, nxpk= 20, iat=  -1,   6, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=   8,   9,  15,  16,  17,
 &end
#
#  124 ILE  QD1          54 ALA  HA          3.50    (#    835:20  Unique         2.32, 3.32 A)
 &rst
  ixpk= 835, nxpk= 20, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1884,1885,1886,
 &end
#
#   22 LYS  HB-          19 ALA  HA          4.50    (#    836:20  Unique         2.57, 3.53 A)
 &rst
  ixpk= 836, nxpk= 20, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 322, 323,
 &end
#
#    0 AMB  20-2:837     19 ALA  HA          4.50    (#    837:20  Single Ambig)
 &rst
  ixpk= 837, nxpk= 20, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 328, 329, 325, 326,
 &end
#
#   19 ALA  MB           19 ALA  HA          3.00    (#    838:20  Unique         2.43, 2.68 A)
 &rst
  ixpk= 838, nxpk= 20, iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 273, 274, 275,
 &end
#
#   54 ALA  MB           54 ALA  HA          3.00    (#    839:20  Unique         2.43, 2.68 A)
 &rst
  ixpk= 839, nxpk= 20, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 786, 787, 788,
 &end
#
#   92 ALA  MB           92 ALA  HA          3.00    (#    840:20  Unique         2.42, 2.67 A)
 &rst
  ixpk= 840, nxpk= 20, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1390,1391,1392,
 &end
#
#   99 ARG  HB-          92 ALA  HA          5.50    (#    841:20  Unique         2.60, 4.19 A)
 &rst
  ixpk= 841, nxpk= 20, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1500,1501,
 &end
#
#   62 LEU  HB-          62 LEU  HA          5.50    (#    842:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 842, nxpk= 20, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 918, 919,
 &end
#
#    0 AMB  20-2:843     62 LEU  HA          4.50    (#    843:20  Single Ambig)
 &rst
  ixpk= 843, nxpk= 20, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 273, 274, 275, 921,
 &end
#
#   62 LEU  QD2          62 LEU  HA          3.50    (#    844:20  Unique         2.73, 3.81 A)
 &rst
  ixpk= 844, nxpk= 20, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 927, 928, 929,
 &end
#
#   44 ASN  HB-          44 ASN  HA          4.50    (#    845:20  Unique         2.18, 2.63 A)
 &rst
  ixpk= 845, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 647, 648,
 &end
#
#   65 VAL  MG1          44 ASN  HA          4.50    (#    846:20  Unique         2.38, 2.86 A)
 &rst
  ixpk= 846, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 970, 971, 972,
 &end
#
#    0 AMB  20-2:847     30 LEU  HA          3.50    (#    847:20  Single Ambig)
 &rst
  ixpk= 847, nxpk= 20, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 448, 445, 446,
 &end
#
#   30 LEU  HB-          30 LEU  HA          4.50    (#    848:20  Unique         2.75, 2.88 A)
 &rst
  ixpk= 848, nxpk= 20, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 445, 446,
 &end
#
#    0 AMB  20-2:849     30 LEU  HA          4.50    (#    849:20  Single Ambig)
 &rst
  ixpk= 849, nxpk= 20, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 450, 451, 452,2251,2252,2253,
 &end
#
#   58 LYS  HB+          58 LYS  HA          4.50    (#    850:20  Unique         2.52, 2.79 A)
 &rst
  ixpk= 850, nxpk= 20, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 850, 851,
 &end
#
#   58 LYS  HB-          58 LYS  HA          3.50    (#    851:20  Unique         2.52, 2.79 A)
 &rst
  ixpk= 851, nxpk= 20, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 850, 851,
 &end
#
#   58 LYS  HG-          58 LYS  HA          5.50    (#    852:20  Unique         2.30, 2.72 A)
 &rst
  ixpk= 852, nxpk= 20, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 853, 854,
 &end
#
#    0 AMB  20-2:853     58 LYS  HA          4.50    (#    853:20  Single Ambig)
 &rst
  ixpk= 853, nxpk= 20, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 895, 896, 856, 857,
 &end
#
#   58 LYS  HG+          58 LYS  HA          4.50    (#    854:20  Unique         2.30, 2.72 A)
 &rst
  ixpk= 854, nxpk= 20, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 853, 854,
 &end
#
#    2 ASP  HB+          77 ALA  HA          3.50    (#    857:20  Unique         2.04, 2.80 A)
 &rst
  ixpk= 857, nxpk= 20, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  25,  26,
 &end
#
#   77 ALA  MB           77 ALA  HA          3.50    (#    858:20  Unique         2.41, 2.63 A)
 &rst
  ixpk= 858, nxpk= 20, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1145,1146,1147,
 &end
#
#   61 ALA  MB           61 ALA  HA          3.00    (#    861:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 861, nxpk= 20, iat=  -1, 906, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 908, 909, 910,
 &end
#
#    0 AMB  20-2:862      0 AMB  20-1:862    3.50    (#    862:20  Double Ambig)
 &rst
  ixpk= 862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 633, 634,1006,1007,
 igr2=1003,1004,1003,1004,
 &end
#
#    0 AMB  20-2:863      0 AMB  20-1:863    3.50    (#    863:20  Double Ambig)
 &rst
  ixpk= 863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 633, 634,1006,1007,
 igr2= 630, 631, 630, 631,
 &end
#
#  148 ASP  HB-         148 ASP  HA          3.50    (#    865:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 865, nxpk= 20, iat=  -1,2307, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2309,2310,
 &end
#
#  148 ASP  HB+         148 ASP  HA          3.50    (#    866:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 866, nxpk= 20, iat=  -1,2307, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2309,2310,
 &end
#
#    0 AMB  20-2:872      0 AMB  20-1:872    3.50    (#    872:20  Double Ambig)
 &rst
  ixpk= 872, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 524, 525, 527, 528,
 igr2= 530, 531, 530, 531,
 &end
#
#    0 AMB  20-2:873      0 AMB  20-1:873    3.00    (#    873:20  Double Ambig)
 &rst
  ixpk= 873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1319,1320,2324,2325,
 igr2=1506,1507,2327,2328,
 &end
#
#    0 AMB  20-2:874      0 AMB  20-1:874    3.50    (#    874:20  Double Ambig)
 &rst
  ixpk= 874, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
 igr1= 364, 365, 366, 357, 358, 359, 801, 802, 803,1884,
      1885,1886,
 igr2=2143,2144, 405, 406,2143,2144,2005,2006,
 &end
#
#    0 AMB  20-2:875      0 AMB  20-1:875    4.50    (#    875:20  Double Ambig)
 &rst
  ixpk= 875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=2072,2073,2050,2051,2069,2070,
 igr2=2143,2144,2005,2006,2143,2144,
 &end
#
#    0 AMB  20-2:876      0 AMB  20-1:876    3.00    (#    876:20  Double Ambig)
 &rst
  ixpk= 876, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=2140,2141, 399, 400,  15,  16,  17,
 igr2=2143,2144, 405, 406,2327,2328,
 &end
#
#   35 ARG  HG-          35 ARG  HD+         3.50    (#    877:20  Unique         2.37, 2.68 A)
 &rst
  ixpk= 877, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 527, 528,
 igr2= 530, 531,
 &end
#
#   73 LEU  MD2          35 ARG  HD+         5.50    (#    878:20  Unique         3.33, 5.64 A)
 &rst
  ixpk= 878, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1092,1093,1094,
 igr2= 530, 531,
 &end
#
#   73 LEU  MD1          35 ARG  HD+         4.50    (#    879:20  Unique         2.23, 3.92 A)
 &rst
  ixpk= 879, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1088,1089,1090,
 igr2= 530, 531,
 &end
#
#    4 ILE  QD1          35 ARG  HD+         5.50    (#    880:20  Unique         3.15, 6.03 A)
 &rst
  ixpk= 880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  65,  66,  67,
 igr2= 530, 531,
 &end
#
#   35 ARG  HG-          35 ARG  HD-         4.50    (#    881:20  Unique         2.37, 2.68 A)
 &rst
  ixpk= 881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 527, 528,
 igr2= 530, 531,
 &end
#
#   35 ARG  HB+          35 ARG  HD-         5.50    (#    882:20  Unique         2.26, 3.29 A)
 &rst
  ixpk= 882, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 524, 525,
 igr2= 530, 531,
 &end
#
#    0 AMB  20-2:883     35 ARG  HD-         3.50    (#    883:20  Single Ambig)
 &rst
  ixpk= 883, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 524, 525, 527, 528,
 igr2= 530, 531,
 &end
#
#   73 LEU  MD1          35 ARG  HD-         4.50    (#    884:20  Unique         2.23, 3.92 A)
 &rst
  ixpk= 884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1088,1089,1090,
 igr2= 530, 531,
 &end
#
#   97 ARG  HB+          97 ARG  HD+         3.50    (#    885:20  Unique         2.49, 3.40 A)
 &rst
  ixpk= 885, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1455,1456,
 igr2=1461,1462,
 &end
#
#   97 ARG  HG+          97 ARG  HD+         3.00    (#    886:20  Unique         2.34, 2.59 A)
 &rst
  ixpk= 886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1458,1459,
 igr2=1461,1462,
 &end
#
#   97 ARG  HG-          97 ARG  HD+         3.50    (#    887:20  Unique         2.34, 2.59 A)
 &rst
  ixpk= 887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1458,1459,
 igr2=1461,1462,
 &end
#
#  101 LYS  HG+         101 LYS  HE+         4.50    (#    888:20  Unique         2.39, 2.97 A)
 &rst
  ixpk= 888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1539,1540,
 igr2=1545,1546,
 &end
#
#  106 LYS  HG+         106 LYS  HE+         3.50    (#    889:20  Unique         2.37, 3.16 A)
 &rst
  ixpk= 889, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1630,1631,
 igr2=1636,1637,
 &end
#
#  105 LEU  HG          106 LYS  HE+         4.50    (#    890:20  Unique         3.69, 4.66 A)
 &rst
  ixpk= 890, nxpk= 20, iat=1611,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1636,1637,
 &end
#
#  106 LYS  HD-         106 LYS  HE+         5.50    (#    891:20  Unique         2.35, 2.65 A)
 &rst
  ixpk= 891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1633,1634,
 igr2=1636,1637,
 &end
#
#    0 AMB  20-2:892    101 LYS  HE-         4.50    (#    892:20  Single Ambig)
 &rst
  ixpk= 892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1542,1543,1109,1110,1111,
 igr2=1545,1546,
 &end
#
#   34 VAL  MG2          22 LYS  HE+         5.50    (#    893:20  Unique         2.01, 4.32 A)
 &rst
  ixpk= 893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 514, 515, 516,
 igr2= 331, 332,
 &end
#
#   18 GLU  HG-          22 LYS  HE+         4.50    (#    894:20  Unique         2.09, 4.31 A)
 &rst
  ixpk= 894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 261, 262,
 igr2= 331, 332,
 &end
#
#   22 LYS  HB+          22 LYS  HE+         5.50    (#    895:20  Unique         2.25, 3.80 A)
 &rst
  ixpk= 895, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 322, 323,
 igr2= 331, 332,
 &end
#
#    0 AMB  20-2:896      0 AMB  20-1:896    3.50    (#    896:20  Double Ambig)
 &rst
  ixpk= 896, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 185, 186, 328, 329, 325, 326,
 igr2= 188, 189, 331, 332, 331, 332,
 &end
#
#    0 AMB  20-2:897      0 AMB  20-1:897    4.50    (#    897:20  Double Ambig)
 &rst
  ixpk= 897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 325, 326, 182, 183,
 igr2= 331, 332, 188, 189,
 &end
#
#    0 AMB  20-2:898      0 AMB  20-1:898    3.50    (#    898:20  Double Ambig)
 &rst
  ixpk= 898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 261, 262, 668, 669,
 igr2= 331, 332, 677, 678,
 &end
#
#   34 VAL  MG2          22 LYS  HE-         4.50    (#    899:20  Unique         2.01, 4.32 A)
 &rst
  ixpk= 899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 514, 515, 516,
 igr2= 331, 332,
 &end
#
#    0 AMB  20-2:900      0 AMB  20-1:900    3.50    (#    900:20  Double Ambig)
 &rst
  ixpk= 900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=2265,2266, 322, 323,1238,1239,1240,
 igr2=2274,2275, 331, 332, 188, 189,
 &end
#
#    0 AMB  20-2:901      0 AMB  20-1:901    3.00    (#    901:20  Double Ambig)
 &rst
  ixpk= 901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 668, 669, 674, 675,2271,2272, 325, 326,
 igr2= 677, 678, 677, 678,2274,2275, 331, 332,
 &end
#
#    0 AMB  20-2:902      0 AMB  20-1:902    3.00    (#    902:20  Double Ambig)
 &rst
  ixpk= 902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2268,2269, 325, 326, 671, 672, 182, 183,
 igr2=2274,2275, 331, 332, 677, 678, 188, 189,
 &end
#
#  147 LYS  HB+         147 LYS  HE+         3.50    (#    903:20  Unique         1.98, 3.10 A)
 &rst
  ixpk= 903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2287,2288,
 igr2=2296,2297,
 &end
#
#    0 AMB  20-2:904      0 AMB  20-1:904    3.00    (#    904:20  Double Ambig)
 &rst
  ixpk= 904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2268,2269,2210,2211,
 igr2=2274,2275,2274,2275,
 &end
#
#    0 AMB  20-2:905      0 AMB  20-1:905    3.50    (#    905:20  Double Ambig)
 &rst
  ixpk= 905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=2265,2266,1769,
 igr2=2274,2275, 188, 189,
 &end
#
#    0 AMB  20-2:906      0 AMB  20-1:906    3.50    (#    906:20  Double Ambig)
 &rst
  ixpk= 906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 450, 451, 452,1794,1795,1796,
 igr2=2274,2275,1804,1805,
 &end
#
#    0 AMB  20-2:907      0 AMB  20-1:907    5.50    (#    907:20  Double Ambig)
 &rst
  ixpk= 907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1971,1972,2232,2233,
 igr2=1955,1956,2296,2297,
 &end
#
#   57 GLU  HB-          58 LYS  HE+         5.50    (#    908:20  Unique         5.58, 7.51 A)
 &rst
  ixpk= 908, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 835, 836,
 igr2= 859, 860,
 &end
#
#    0 AMB  20-2:909      0 AMB  20-1:909    4.50    (#    909:20  Double Ambig)
 &rst
  ixpk= 909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 799,2053, 231, 232,
 igr2= 859, 860, 859, 860, 859, 860,
 &end
#
#  131 ARG  HB-          58 LYS  HE+         3.70    (#    910:20  Unique         2.49, 3.70 A)
 &rst
  ixpk= 910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1=1999,2000,
 igr2= 859, 860,
 &end
#
#   55 LEU  MD1          58 LYS  HE+         3.50    (#    911:20  Unique         3.38, 4.83 A)
 &rst
  ixpk= 911, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 801, 802, 803,
 igr2= 859, 860,
 &end
#
#   84 THR  MG2         118 ASP  HB+         5.50    (#    912:20  Unique         5.90, 7.21 A)
 &rst
  ixpk= 912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1250,1251,1252,
 igr2=1804,1805,
 &end
#
#   58 LYS  HD-          58 LYS  HE+         4.50    (#    913:20  Unique         2.37, 2.61 A)
 &rst
  ixpk= 913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 856, 857,
 igr2= 859, 860,
 &end
#
#   58 LYS  HG+          58 LYS  HE+         4.50    (#    914:20  Unique         2.96, 3.72 A)
 &rst
  ixpk= 914, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 853, 854,
 igr2= 859, 860,
 &end
#
#    0 AMB  20-2:915      0 AMB  20-1:915    3.50    (#    915:20  Double Ambig)
 &rst
  ixpk= 915, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 850, 851,2002,2003, 856, 857,
 igr2= 859, 860, 859, 860, 859, 860,
 &end
#
#   58 LYS  HG-          58 LYS  HE+         4.50    (#    916:20  Unique         2.96, 3.72 A)
 &rst
  ixpk= 916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 853, 854,
 igr2= 859, 860,
 &end
#
#    0 AMB  20-2:917     58 LYS  HE-         5.50    (#    917:20  Single Ambig)
 &rst
  ixpk= 917, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 850, 851,2002,2003, 856, 857,
 igr2= 859, 860,
 &end
#
#   58 LYS  HD-          58 LYS  HE-         5.50    (#    918:20  Unique         2.37, 2.61 A)
 &rst
  ixpk= 918, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 856, 857,
 igr2= 859, 860,
 &end
#
#   58 LYS  HG+          58 LYS  HE-         4.50    (#    919:20  Unique         2.96, 3.72 A)
 &rst
  ixpk= 919, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 853, 854,
 igr2= 859, 860,
 &end
#
#   58 LYS  HG-          58 LYS  HE-         4.50    (#    920:20  Unique         2.96, 3.72 A)
 &rst
  ixpk= 920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 853, 854,
 igr2= 859, 860,
 &end
#
#  150 ARG  HG+         148 ASP  HB+         5.50    (#    921:20  Unique         2.34, 6.22 A)
 &rst
  ixpk= 921, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2348,2349,
 igr2=2309,2310,
 &end
#
#   74 MET  HE           98 TYR  HB-         3.50    (#    923:20  Unique         2.32, 3.50 A)
 &rst
  ixpk= 923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1109,1110,1111,
 igr2=1479,1480,
 &end
#
#    8 THR  MG2          40 PHE  HB+         5.50    (#    924:20  Unique         2.42, 5.55 A)
 &rst
  ixpk= 924, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 124, 125, 126,
 igr2= 592, 593,
 &end
#
#   82 ALA  MB           87 HIS  HB-         5.50    (#    926:20  Unique         2.15, 3.56 A)
 &rst
  ixpk= 926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1221,1222,1223,
 igr2=1296,1297,
 &end
#
#   82 ALA  MB           87 HIS  HB+         4.50    (#    927:20  Unique         2.15, 3.56 A)
 &rst
  ixpk= 927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1221,1222,1223,
 igr2=1296,1297,
 &end
#
#   52 VAL  MG2          52 VAL  HA          3.50    (#    930:20  Unique         2.41, 2.93 A)
 &rst
  ixpk= 930, nxpk= 20, iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 761, 762, 763,
 &end
#
#   62 LEU  QD1          52 VAL  HA          3.50    (#    931:20  Unique         2.36, 3.28 A)
 &rst
  ixpk= 931, nxpk= 20, iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 923, 924, 925,
 &end
#
#   91 ILE  QG2          91 ILE  HA          3.50    (#    932:20  Unique         2.64, 3.26 A)
 &rst
  ixpk= 932, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1373,1374,1375,
 &end
#
#    0 AMB  20-2:933     91 ILE  HA          4.50    (#    933:20  Single Ambig)
 &rst
  ixpk= 933, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1354,1355,1356, 101, 102, 103,1020,1021,
 &end
#
#   27 ARG  HB+          24 ILE  HA          4.50    (#    934:20  Unique         2.48, 3.68 A)
 &rst
  ixpk= 934, nxpk= 20, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 399, 400,
 &end
#
#   24 ILE  HG1+         24 ILE  HA          4.50    (#    935:20  Unique         2.35, 2.60 A)
 &rst
  ixpk= 935, nxpk= 20, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 361, 362,
 &end
#
#   24 ILE  QG2          24 ILE  HA          3.50    (#    936:20  Unique         2.67, 3.30 A)
 &rst
  ixpk= 936, nxpk= 20, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 357, 358, 359,
 &end
#
#    0 AMB  20-2:937    135 GLU  HA          3.00    (#    937:20  Single Ambig)
 &rst
  ixpk= 937, nxpk= 20, iat=  -1,2067, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2072,2073,2069,2070,
 &end
#
#  138 LEU  HB+         135 GLU  HA          4.50    (#    938:20  Unique         2.66, 3.53 A)
 &rst
  ixpk= 938, nxpk= 20, iat=  -1,2067, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2118,2119,
 &end
#
#   20 LEU  QD1         135 GLU  HA          3.00    (#    939:20  Unique         2.25, 3.17 A)
 &rst
  ixpk= 939, nxpk= 20, iat=  -1,2067, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 288, 289, 290,
 &end
#
#  128 LYS  HB+         128 LYS  HA          4.50    (#    940:20  Unique         2.23, 2.58 A)
 &rst
  ixpk= 940, nxpk= 20, iat=  -1,1944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1946,1947,
 &end
#
#   54 ALA  MB          128 LYS  HA          4.50    (#    941:20  Unique         3.28, 4.32 A)
 &rst
  ixpk= 941, nxpk= 20, iat=  -1,1944, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 786, 787, 788,
 &end
#
#    0 AMB  20-2:942     88 LYS  HA          4.50    (#    942:20  Single Ambig)
 &rst
  ixpk= 942, nxpk= 20, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1313,1314,1221,1222,1223,
 &end
#
#  102 VAL  MG2          88 LYS  HA          4.50    (#    943:20  Unique         3.13, 4.51 A)
 &rst
  ixpk= 943, nxpk= 20, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1564,1565,1566,
 &end
#
#   91 ILE  QD1          88 LYS  HA          4.50    (#    944:20  Unique         2.20, 3.42 A)
 &rst
  ixpk= 944, nxpk= 20, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1380,1381,1382,
 &end
#
#   88 LYS  HB+          88 LYS  HA          5.50    (#    945:20  Unique         2.34, 2.75 A)
 &rst
  ixpk= 945, nxpk= 20, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1313,1314,
 &end
#
#   71 GLU  HG-          71 GLU  HA          4.50    (#    946:20  Unique         2.45, 2.75 A)
 &rst
  ixpk= 946, nxpk= 20, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1056,1057,
 &end
#
#   71 GLU  HB-          71 GLU  HA          4.50    (#    947:20  Unique         2.52, 2.79 A)
 &rst
  ixpk= 947, nxpk= 20, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1053,1054,
 &end
#
#   71 GLU  HB+          71 GLU  HA          4.50    (#    948:20  Unique         2.52, 2.79 A)
 &rst
  ixpk= 948, nxpk= 20, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1053,1054,
 &end
#
#   20 LEU  HG          131 ARG  HA          5.50    (#    949:20  Unique         4.93, 5.47 A)
 &rst
  ixpk= 949, nxpk= 20, iat= 286,1997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 MET  HE1         131 ARG  HA          5.50    (#    950:20  Unique         3.13, 4.03 A)
 &rst
  ixpk= 950, nxpk= 20, iat=  -1,1997, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 238, 239, 240,
 &end
#
#   75 GLU  HB+          75 GLU  HA          4.50    (#    951:20  Unique         2.57, 2.81 A)
 &rst
  ixpk= 951, nxpk= 20, iat=  -1,1117, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1119,1120,
 &end
#
#   75 GLU  HB-          75 GLU  HA          5.50    (#    952:20  Unique         2.57, 2.81 A)
 &rst
  ixpk= 952, nxpk= 20, iat=  -1,1117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1119,1120,
 &end
#
#    0 AMB  20-2:953     75 GLU  HA          4.50    (#    953:20  Single Ambig)
 &rst
  ixpk= 953, nxpk= 20, iat=  -1,1117, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1122,1123,1122,1123,
 &end
#
#   30 LEU  HB+          25 ALA  HA          3.50    (#    954:20  Unique         2.22, 2.85 A)
 &rst
  ixpk= 954, nxpk= 20, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 445, 446,
 &end
#
#   25 ALA  MB           25 ALA  HA          3.00    (#    955:20  Unique         2.47, 2.67 A)
 &rst
  ixpk= 955, nxpk= 20, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 374, 375, 376,
 &end
#
#    0 AMB  20-2:956     17 ALA  HA          4.50    (#    956:20  Single Ambig)
 &rst
  ixpk= 956, nxpk= 20, iat=  -1, 246, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 288, 289, 290, 286,
 &end
#
#   17 ALA  MB           17 ALA  HA          3.50    (#    957:20  Unique         2.45, 2.68 A)
 &rst
  ixpk= 957, nxpk= 20, iat=  -1, 246, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 248, 249, 250,
 &end
#
#    0 AMB  20-2:958     68 PRO  HD-         4.50    (#    958:20  Single Ambig)
 &rst
  ixpk= 958, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 633, 634,1006,1007,
 igr2=1003,1004,
 &end
#
#   30 LEU  HA           30 LEU  HB+         5.50    (#    960:20  Unique         2.75, 2.88 A)
 &rst
  ixpk= 960, nxpk= 20, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 445, 446,
 &end
#
#   30 LEU  MD1          30 LEU  HB+         3.00    (#    962:20  Unique         2.33, 3.11 A)
 &rst
  ixpk= 962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 450, 451, 452,
 igr2= 445, 446,
 &end
#
#   30 LEU  MD1          30 LEU  HB-         3.50    (#    964:20  Unique         2.33, 3.11 A)
 &rst
  ixpk= 964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 450, 451, 452,
 igr2= 445, 446,
 &end
#
#    0 AMB  20-2:966      0 AMB  20-1:966    3.50    (#    966:20  Double Ambig)
 &rst
  ixpk= 966, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 286, 288, 289, 290,
 igr2= 283, 284, 283, 284,
 &end
#
#    0 AMB  20-2:968     20 LEU  HB-         3.50    (#    968:20  Single Ambig)
 &rst
  ixpk= 968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 286, 288, 289, 290,
 igr2= 283, 284,
 &end
#
#   84 THR  MG2         115 ASP  HB+         4.50    (#    970:20  Unique         2.28, 4.16 A)
 &rst
  ixpk= 970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1250,1251,1252,
 igr2=1757,1758,
 &end
#
#    0 AMB  20-2:971      0 AMB  20-1:971    5.50    (#    971:20  Double Ambig)
 &rst
  ixpk= 971, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1613,1614,1615,1687,1688,1689,
 igr2=2099,2100,2099,2100,
 &end
#
#    0 AMB  20-2:972      0 AMB  20-1:972    4.50    (#    972:20  Double Ambig)
 &rst
  ixpk= 972, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1611, 288, 289, 290,
 igr2=2099,2100,2099,2100,
 &end
#
#    0 AMB  20-2:978      0 AMB  20-1:978    4.50    (#    978:20  Double Ambig)
 &rst
  ixpk= 978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 927, 928, 929,2127,2128,2129,
 igr2= 918, 919,2099,2100,
 &end
#
#   62 LEU  QD1          62 LEU  HB-         4.50    (#    979:20  Unique         2.32, 3.04 A)
 &rst
  ixpk= 979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 923, 924, 925,
 igr2= 918, 919,
 &end
#
#   77 ALA  HA            2 ASP  HB+         3.50    (#    980:20  Unique         2.04, 2.80 A)
 &rst
  ixpk= 980, nxpk= 20, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  25,  26,
 &end
#
#  134 LEU  MD1         134 LEU  HB+         3.50    (#    981:20  Unique         2.34, 3.51 A)
 &rst
  ixpk= 981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2055,2056,2057,
 igr2=2050,2051,
 &end
#
#  134 LEU  MD1         134 LEU  HB-         3.50    (#    982:20  Unique         2.34, 3.51 A)
 &rst
  ixpk= 982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2055,2056,2057,
 igr2=2050,2051,
 &end
#
#  106 LYS  HG+         106 LYS  HE-         3.50    (#    984:20  Unique         2.37, 3.16 A)
 &rst
  ixpk= 984, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1630,1631,
 igr2=1636,1637,
 &end
#
#  105 LEU  HG          106 LYS  HE-         4.50    (#    985:20  Unique         3.69, 4.66 A)
 &rst
  ixpk= 985, nxpk= 20, iat=1611,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1636,1637,
 &end
#
#  116 VAL  HA          106 LYS  HE-         4.50    (#    986:20  Unique         2.42, 3.65 A)
 &rst
  ixpk= 986, nxpk= 20, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1636,1637,
 &end
#
#   77 ALA  MB            2 ASP  HB-         5.50    (#    987:20  Unique         3.13, 4.75 A)
 &rst
  ixpk= 987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1145,1146,1147,
 igr2=  25,  26,
 &end
#
#  106 LYS  HD-         106 LYS  HE-         4.50    (#    988:20  Unique         2.35, 2.65 A)
 &rst
  ixpk= 988, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1633,1634,
 igr2=1636,1637,
 &end
#
#    0 AMB  20-2:989      0 AMB  20-1:989    4.50    (#    989:20  Double Ambig)
 &rst
  ixpk= 989, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1783,1985,
 igr2=1785,1786,1785,1786,
 &end
#
#  117 LEU  HG          117 LEU  HB+         4.50    (#    991:20  Unique         2.38, 2.81 A)
 &rst
  ixpk= 991, nxpk= 20, iat=1788,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1785,1786,
 &end
#
#  117 LEU  MD1         117 LEU  HB+         4.50    (#    992:20  Unique         2.35, 3.11 A)
 &rst
  ixpk= 992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1790,1791,1792,
 igr2=1785,1786,
 &end
#
#    0 AMB  20-2:994      0 AMB  20-1:994    4.50    (#    994:20  Double Ambig)
 &rst
  ixpk= 994, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1= 559, 560, 561,1023,1613,1614,1615,
 igr2=1020,1021,1020,1021,1608,1609,
 &end
#
#  105 LEU  MD1         105 LEU  HB-         5.50    (#    995:20  Unique         2.36, 3.60 A)
 &rst
  ixpk= 995, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1613,1614,1615,
 igr2=1608,1609,
 &end
#
#    0 AMB  20-2:998      0 AMB  20-1:998    5.50    (#    998:20  Double Ambig)
 &rst
  ixpk= 998, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1025,1026,1027,  58,  59,  60,
 igr2=1020,1021,1020,1021,
 &end
#
#    0 AMB  20-2:999      0 AMB  20-1:999    4.50    (#    999:20  Double Ambig)
 &rst
  ixpk= 999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 445, 446,  56,  43,  44,
 igr2=2246,2247,1083,1084,
 &end
#
#    0 AMB  20-2:1001     0 AMB  20-1:1001   4.50    (#   1001:20  Double Ambig)
 &rst
  ixpk= 1001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=  65,  66,  67,  58,  59,  60,
 igr2=1083,1084,1083,1084,
 &end
#
#   73 LEU  MD1          73 LEU  HB+         4.50    (#   1002:20  Unique         2.51, 3.59 A)
 &rst
  ixpk= 1002, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1088,1089,1090,
 igr2=1083,1084,
 &end
#
#  105 LEU  HG          105 LEU  HB-         4.50    (#   1003:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 1003, nxpk= 20, iat=1611,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1608,1609,
 &end
#
#   73 LEU  HA           73 LEU  HB-         4.50    (#   1004:20  Unique         2.44, 2.76 A)
 &rst
  ixpk= 1004, nxpk= 20, iat=1081,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1083,1084,
 &end
#
#   73 LEU  MD2          73 LEU  HB-         4.50    (#   1006:20  Unique         2.42, 3.11 A)
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1092,1093,1094,
 igr2=1083,1084,
 &end
#
#   73 LEU  MD1          73 LEU  HB-         4.50    (#   1007:20  Unique         2.51, 3.59 A)
 &rst
  ixpk= 1007, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1088,1089,1090,
 igr2=1083,1084,
 &end
#
#    0 AMB  20-2:1008    73 LEU  HB-         4.50    (#   1008:20  Single Ambig)
 &rst
  ixpk= 1008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  65,  66,  67,  58,  59,  60,
 igr2=1083,1084,
 &end
#
#  145 LEU  HA          145 LEU  HB+         5.50    (#   1011:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 1011, nxpk= 20, iat=2244,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2246,2247,
 &end
#
#    0 AMB  20-2:1012   145 LEU  HB-         3.00    (#   1012:20  Single Ambig)
 &rst
  ixpk= 1012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 450, 451, 452,2251,2252,2253,2255,2256,2257,
 igr2=2246,2247,
 &end
#
#    0 AMB  20-2:1014     0 AMB  20-1:1014   3.00    (#   1014:20  Double Ambig)
 &rst
  ixpk= 1014, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 450, 451, 452,2251,2252,2253,2255,2256,2257,
 igr2=2246,2247,2246,2247,2246,2247,
 &end
#
#   34 VAL  MG1           3 ILE  HB          5.50    (#   1016:20  Unique         2.13, 3.13 A)
 &rst
  ixpk= 1016, nxpk= 20, iat=  -1,  37, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 510, 511, 512,
 &end
#
#    3 ILE  HG1+          3 ILE  HB          4.50    (#   1017:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 1017, nxpk= 20, iat=  -1,  37, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  43,  44,
 &end
#
#    3 ILE  QG2           3 ILE  HB          4.50    (#   1018:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1018, nxpk= 20, iat=  -1,  37, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  39,  40,  41,
 &end
#
#    3 ILE  QD1           3 ILE  HB          4.50    (#   1019:20  Unique         2.49, 3.18 A)
 &rst
  ixpk= 1019, nxpk= 20, iat=  -1,  37, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  46,  47,  48,
 &end
#
#  150 ARG  HG+         148 ASP  HB+         5.50    (#   1021:20  Unique         2.34, 6.22 A)
 &rst
  ixpk= 1021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2348,2349,
 igr2=2309,2310,
 &end
#
#  150 ARG  HG+         148 ASP  HB-         5.50    (#   1024:20  Unique         2.34, 6.22 A)
 &rst
  ixpk= 1024, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2348,2349,
 igr2=2309,2310,
 &end
#
#    0 AMB  20-2:1025     4 ILE  HB          3.50    (#   1025:20  Single Ambig)
 &rst
  ixpk= 1025, nxpk= 20, iat=  -1,  56, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1188,1189,1190,  97,  98,  99,
 &end
#
#   81 LEU  HB-           4 ILE  HB          7.00    (#   1026:20  Unique         5.55, 6.12 A)
 &rst
  ixpk= 1026, nxpk= 20, iat=  -1,  56, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1202,1203,
 &end
#
#    4 ILE  HG1-          4 ILE  HB          4.50    (#   1027:20  Unique         2.52, 2.81 A)
 &rst
  ixpk= 1027, nxpk= 20, iat=  -1,  56, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  62,  63,
 &end
#
#    4 ILE  QG2           4 ILE  HB          3.00    (#   1028:20  Unique         2.45, 2.68 A)
 &rst
  ixpk= 1028, nxpk= 20, iat=  -1,  56, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=  58,  59,  60,
 &end
#
#    0 AMB  20-2:1029     0 AMB  20-1:1029   3.50    (#   1029:20  Double Ambig)
 &rst
  ixpk= 1029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1892,1864,1865,
 igr2=1894,1895,1894,1895,
 &end
#
#    0 AMB  20-2:1031   125 ASP  HB-         4.50    (#   1031:20  Single Ambig)
 &rst
  ixpk= 1031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1892,1864,1865,
 igr2=1894,1895,
 &end
#
#   60 ILE  QG2          60 ILE  HB          3.50    (#   1033:20  Unique         2.44, 2.68 A)
 &rst
  ixpk= 1033, nxpk= 20, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 891, 892, 893,
 &end
#
#  100 ASP  HA          100 ASP  HB+         3.50    (#   1034:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 1034, nxpk= 20, iat=1522,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1524,1525,
 &end
#
#  100 ASP  HA          100 ASP  HB-         3.50    (#   1036:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 1036, nxpk= 20, iat=1522,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1524,1525,
 &end
#
#   74 MET  HE           98 TYR  HB+         5.50    (#   1038:20  Unique         2.32, 3.50 A)
 &rst
  ixpk= 1038, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1109,1110,1111,
 igr2=1479,1480,
 &end
#
#    0 AMB  20-2:1039    24 ILE  HB          3.50    (#   1039:20  Single Ambig)
 &rst
  ixpk= 1039, nxpk= 20, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 357, 358, 359, 364, 365, 366,
 &end
#
#    0 AMB  20-2:1041     0 AMB  20-1:1041   4.50    (#   1041:20  Double Ambig)
 &rst
  ixpk= 1041, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1966,2033,
 igr2=2023,2024,2023,2024,
 &end
#
#    8 THR  MG2          40 PHE  HB-         5.50    (#   1043:20  Unique         2.42, 5.55 A)
 &rst
  ixpk= 1043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 124, 125, 126,
 igr2= 592, 593,
 &end
#
#  102 VAL  MG2          91 ILE  HB          3.50    (#   1044:20  Unique         2.90, 4.00 A)
 &rst
  ixpk= 1044, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1564,1565,1566,
 &end
#
#   91 ILE  QG2          91 ILE  HB          3.50    (#   1045:20  Unique         2.46, 2.67 A)
 &rst
  ixpk= 1045, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1373,1374,1375,
 &end
#
#   91 ILE  QD1          91 ILE  HB          3.50    (#   1046:20  Unique         2.34, 3.05 A)
 &rst
  ixpk= 1046, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1380,1381,1382,
 &end
#
#   90 ILE  QD1          90 ILE  HB          3.50    (#   1049:20  Unique         2.43, 3.03 A)
 &rst
  ixpk= 1049, nxpk= 20, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1361,1362,1363,
 &end
#
#   44 ASN  HA           44 ASN  HB-         4.50    (#   1050:20  Unique         2.18, 2.63 A)
 &rst
  ixpk= 1050, nxpk= 20, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 647, 648,
 &end
#
#    0 AMB  20-2:1053   124 ILE  HB          3.50    (#   1053:20  Single Ambig)
 &rst
  ixpk= 1053, nxpk= 20, iat=  -1,1875, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1877,1878,1879,1884,1885,1886,
 &end
#
#    0 AMB  20-2:1054     0 AMB  20-1:1054   4.50    (#   1054:20  Double Ambig)
 &rst
  ixpk= 1054, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2033,2082,1767,
 igr2=2038,2039,2087,2088,
 &end
#
#  105 LEU  HG          133 GLU  HG-         7.00    (#   1056:20  Unique         6.52, 7.47 A)
 &rst
  ixpk= 1056, nxpk= 20, iat=1611,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2038,2039,
 &end
#
#  135 GLU  HA          135 GLU  HG+         3.50    (#   1057:20  Unique         2.37, 2.79 A)
 &rst
  ixpk= 1057, nxpk= 20, iat=2067,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2072,2073,
 &end
#
#   20 LEU  QD1         135 GLU  HG+         3.00    (#   1058:20  Unique         2.62, 4.94 A)
 &rst
  ixpk= 1058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 288, 289, 290,
 igr2=2072,2073,
 &end
#
#    0 AMB  20-2:1059     0 AMB  20-1:1059   4.50    (#   1059:20  Double Ambig)
 &rst
  ixpk= 1059, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=2033,2082,1767,
 igr2=2038,2039,2087,2088,2038,2039,
 &end
#
#    0 AMB  20-2:1061     0 AMB  20-1:1061   3.00    (#   1061:20  Double Ambig)
 &rst
  ixpk= 1061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2084,2085,2035,2036,
 igr2=2087,2088,2038,2039,
 &end
#
#    0 AMB  20-2:1062     0 AMB  20-1:1062   5.50    (#   1062:20  Double Ambig)
 &rst
  ixpk= 1062, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1790,1791,1792,1611,
 igr2=2038,2039,2038,2039,
 &end
#
#    0 AMB  20-2:1063     0 AMB  20-1:1063   4.50    (#   1063:20  Double Ambig)
 &rst
  ixpk= 1063, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=2140,2141, 856, 857,
 igr2=2072,2073,2072,2073,
 &end
#
#   72 GLU  HB-          72 GLU  HG+         3.00    (#   1064:20  Unique         2.47, 2.77 A)
 &rst
  ixpk= 1064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1068,1069,
 igr2=1071,1072,
 &end
#
#   72 GLU  HA           72 GLU  HG+         3.50    (#   1065:20  Unique         3.77, 3.81 A)
 &rst
  ixpk= 1065, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1071,1072,
 &end
#
#   72 GLU  HB+          72 GLU  HG+         3.00    (#   1066:20  Unique         2.47, 2.77 A)
 &rst
  ixpk= 1066, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1068,1069,
 igr2=1071,1072,
 &end
#
#    6 VAL  MG2           6 VAL  HB          3.50    (#   1067:20  Unique         2.37, 2.65 A)
 &rst
  ixpk= 1067, nxpk= 20, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 101, 102, 103,
 &end
#
#    6 VAL  MG1           6 VAL  HB          3.00    (#   1068:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 1068, nxpk= 20, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=  97,  98,  99,
 &end
#
#  126 ILE  HA          126 ILE  HB          4.50    (#   1069:20  Unique         3.02, 3.03 A)
 &rst
  ixpk= 1069, nxpk= 20, iat=1904,1906, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  126 ILE  HG1-        126 ILE  HB          5.50    (#   1070:20  Unique         2.41, 2.44 A)
 &rst
  ixpk= 1070, nxpk= 20, iat=  -1,1906, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1912,1913,
 &end
#
#  126 ILE  QG2         126 ILE  HB          4.50    (#   1071:20  Unique         2.44, 2.66 A)
 &rst
  ixpk= 1071, nxpk= 20, iat=  -1,1906, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1908,1909,1910,
 &end
#
#   71 GLU  HA           71 GLU  HG+         5.50    (#   1072:20  Unique         2.45, 2.75 A)
 &rst
  ixpk= 1072, nxpk= 20, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1056,1057,
 &end
#
#   71 GLU  HB+          71 GLU  HG+         3.00    (#   1073:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 1073, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1053,1054,
 igr2=1056,1057,
 &end
#
#   71 GLU  HB-          71 GLU  HG+         3.00    (#   1074:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 1074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1053,1054,
 igr2=1056,1057,
 &end
#
#   71 GLU  HA           71 GLU  HG-         4.50    (#   1075:20  Unique         2.45, 2.75 A)
 &rst
  ixpk= 1075, nxpk= 20, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1056,1057,
 &end
#
#  126 ILE  QD1         126 ILE  HB          5.50    (#   1076:20  Unique         3.82, 4.00 A)
 &rst
  ixpk= 1076, nxpk= 20, iat=  -1,1906, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1915,1916,1917,
 &end
#
#   57 GLU  HA           57 GLU  HG+         4.50    (#   1077:20  Unique         2.40, 2.87 A)
 &rst
  ixpk= 1077, nxpk= 20, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 838, 839,
 &end
#
#   57 GLU  HB-          57 GLU  HG+         3.50    (#   1079:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 1079, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 835, 836,
 igr2= 838, 839,
 &end
#
#    0 AMB  20-2:1080     0 AMB  20-1:1080   3.00    (#   1080:20  Double Ambig)
 &rst
  ixpk= 1080, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 835, 836,1053,1054,
 igr2= 838, 839,1056,1057,
 &end
#
#   53 GLU  HA           53 GLU  HG-         3.50    (#   1085:20  Unique         2.38, 3.23 A)
 &rst
  ixpk= 1085, nxpk= 20, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 774, 775,
 &end
#
#   53 GLU  HA           53 GLU  HG+         3.00    (#   1086:20  Unique         2.38, 3.23 A)
 &rst
  ixpk= 1086, nxpk= 20, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 774, 775,
 &end
#
#    0 AMB  20-2:1087     0 AMB  20-1:1087   3.00    (#   1087:20  Double Ambig)
 &rst
  ixpk= 1087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 771, 772, 399, 400, 835, 836,
 igr2= 774, 775, 426, 427, 774, 775,
 &end
#
#    0 AMB  20-2:1088     0 AMB  20-1:1088   3.50    (#   1088:20  Double Ambig)
 &rst
  ixpk= 1088, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 450, 451, 452,1884,1885,1886,
 igr2= 426, 427, 774, 775,
 &end
#
#   75 GLU  HA           75 GLU  HG-         4.50    (#   1089:20  Unique         2.37, 2.92 A)
 &rst
  ixpk= 1089, nxpk= 20, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1122,1123,
 &end
#
#   75 GLU  HB-          75 GLU  HG-         3.50    (#   1090:20  Unique         2.38, 2.70 A)
 &rst
  ixpk= 1090, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1119,1120,
 igr2=1122,1123,
 &end
#
#  124 ILE  QD1          53 GLU  HG-         3.50    (#   1091:20  Unique         2.57, 4.02 A)
 &rst
  ixpk= 1091, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1884,1885,1886,
 igr2= 774, 775,
 &end
#
#    0 AMB  20-2:1092     0 AMB  20-1:1092   3.00    (#   1092:20  Double Ambig)
 &rst
  ixpk= 1092, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 771, 772,1119,1120,1649,1650,
 igr2= 774, 775,1122,1123,1652,1653,
 &end
#
#   28 GLU  HA           28 GLU  HG-         5.50    (#   1093:20  Unique         2.98, 3.41 A)
 &rst
  ixpk= 1093, nxpk= 20, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 426, 427,
 &end
#
#   28 GLU  HA           28 GLU  HG+         5.50    (#   1094:20  Unique         2.98, 3.41 A)
 &rst
  ixpk= 1094, nxpk= 20, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 426, 427,
 &end
#
#    0 AMB  20-2:1095     0 AMB  20-1:1095   4.50    (#   1095:20  Double Ambig)
 &rst
  ixpk= 1095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=2197,2198,2199, 448, 445, 446,
 igr2= 426, 427, 426, 427, 426, 427,
 &end
#
#    0 AMB  20-2:1096     0 AMB  20-1:1096   3.50    (#   1096:20  Double Ambig)
 &rst
  ixpk= 1096, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 423, 424, 402, 403,
 igr2= 426, 427, 426, 427,
 &end
#
#    0 AMB  20-2:1097     0 AMB  20-1:1097   4.50    (#   1097:20  Double Ambig)
 &rst
  ixpk= 1097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1117, 815, 816,
 igr2=1122,1123, 774, 775,
 &end
#
#   75 GLU  HB-          75 GLU  HG+         3.50    (#   1098:20  Unique         2.38, 2.70 A)
 &rst
  ixpk= 1098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1119,1120,
 igr2=1122,1123,
 &end
#
#    0 AMB  20-2:1100    28 GLU  HG-         3.50    (#   1100:20  Single Ambig)
 &rst
  ixpk= 1100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 423, 424, 402, 403,
 igr2= 426, 427,
 &end
#
#    0 AMB  20-2:1101    28 GLU  HG-         4.50    (#   1101:20  Single Ambig)
 &rst
  ixpk= 1101, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2197,2198,2199, 448, 445, 446,
 igr2= 426, 427,
 &end
#
#    0 AMB  20-2:1102    28 GLU  HG-         3.50    (#   1102:20  Single Ambig)
 &rst
  ixpk= 1102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 450, 451, 452, 357, 358, 359,
 igr2= 426, 427,
 &end
#
#   35 ARG  HG-          35 ARG  HB+         4.50    (#   1104:20  Unique         2.19, 2.66 A)
 &rst
  ixpk= 1104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 527, 528,
 igr2= 524, 525,
 &end
#
#   30 LEU  HB+          32 VAL  HB          5.50    (#   1105:20  Unique         5.49, 6.33 A)
 &rst
  ixpk= 1105, nxpk= 20, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 445, 446,
 &end
#
#    0 AMB  20-2:1106    32 VAL  HB          4.50    (#   1106:20  Single Ambig)
 &rst
  ixpk= 1106, nxpk= 20, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  37, 514, 515, 516, 445, 446,
 &end
#
#   34 VAL  MG1          32 VAL  HB          4.50    (#   1107:20  Unique         2.78, 3.55 A)
 &rst
  ixpk= 1107, nxpk= 20, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 510, 511, 512,
 &end
#
#   32 VAL  MG2          32 VAL  HB          3.00    (#   1108:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1108, nxpk= 20, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 484, 485, 486,
 &end
#
#   32 VAL  MG1          32 VAL  HB          3.00    (#   1109:20  Unique         2.35, 2.63 A)
 &rst
  ixpk= 1109, nxpk= 20, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 480, 481, 482,
 &end
#
#    3 ILE  QD1          32 VAL  HB          5.50    (#   1110:20  Unique         3.57, 4.31 A)
 &rst
  ixpk= 1110, nxpk= 20, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  46,  47,  48,
 &end
#
#   46 LYS  HG+          46 LYS  HB-         3.50    (#   1113:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 671, 672,
 igr2= 668, 669,
 &end
#
#   46 LYS  HG+          46 LYS  HB+         3.00    (#   1114:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1114, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 671, 672,
 igr2= 668, 669,
 &end
#
#   46 LYS  HE+          46 LYS  HB+         5.50    (#   1115:20  Unique         2.15, 3.84 A)
 &rst
  ixpk= 1115, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 677, 678,
 igr2= 668, 669,
 &end
#
#    0 AMB  20-2:1117    34 VAL  HB          3.00    (#   1117:20  Single Ambig)
 &rst
  ixpk= 1117, nxpk= 20, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 514, 515, 516,  37,
 &end
#
#   34 VAL  MG1          34 VAL  HB          3.50    (#   1118:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1118, nxpk= 20, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 510, 511, 512,
 &end
#
#    1 MET  HG+           1 MET  HB-         3.50    (#   1120:20  Unique         2.38, 2.59 A)
 &rst
  ixpk= 1120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  11,  12,
 igr2=   8,   9,
 &end
#
#    0 AMB  20-2:1122     1 MET  HB-         4.50    (#   1122:20  Single Ambig)
 &rst
  ixpk= 1122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2251,2252,2253, 484, 485, 486,
 igr2=   8,   9,
 &end
#
#    1 MET  HG+           1 MET  HB+         4.50    (#   1123:20  Unique         2.38, 2.59 A)
 &rst
  ixpk= 1123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  11,  12,
 igr2=   8,   9,
 &end
#
#    0 AMB  20-2:1125     0 AMB  20-1:1125   4.50    (#   1125:20  Double Ambig)
 &rst
  ixpk= 1125, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=2251,2252,2253, 484, 485, 486,
 igr2=   8,   9, 508,   8,   9,
 &end
#
#    1 MET  HA            1 MET  HB-         5.50    (#   1126:20  Unique         2.38, 2.76 A)
 &rst
  ixpk= 1126, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=   8,   9,
 &end
#
#    0 AMB  20-2:1127     0 AMB  20-1:1127   3.50    (#   1127:20  Double Ambig)
 &rst
  ixpk= 1127, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=2159,1966,
 igr2=2164,2165,1971,1972,
 &end
#
#    0 AMB  20-2:1128     0 AMB  20-1:1128   3.00    (#   1128:20  Double Ambig)
 &rst
  ixpk= 1128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1968,1969,2161,2162,
 igr2=1971,1972,2164,2165,
 &end
#
#    0 AMB  20-2:1129     0 AMB  20-1:1129   4.50    (#   1129:20  Double Ambig)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=2137,2138,2207,2208,
 igr2=2164,2165,2164,2165,
 &end
#
#  109 VAL  MG1         140 GLN  HG+         4.50    (#   1130:20  Unique         4.13, 4.76 A)
 &rst
  ixpk= 1130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1687,1688,1689,
 igr2=2164,2165,
 &end
#
#  126 ILE  QD1         129 GLN  HG+         4.50    (#   1131:20  Unique         3.80, 5.85 A)
 &rst
  ixpk= 1131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1915,1916,1917,
 igr2=1971,1972,
 &end
#
#  109 VAL  MG1         140 GLN  HG-         3.50    (#   1132:20  Unique         4.13, 4.76 A)
 &rst
  ixpk= 1132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1687,1688,1689,
 igr2=2164,2165,
 &end
#
#  109 VAL  MG2         144 GLN  HG+         5.50    (#   1133:20  Unique         2.95, 6.04 A)
 &rst
  ixpk= 1133, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1691,1692,1693,
 igr2=2232,2233,
 &end
#
#  141 LEU  HA          144 GLN  HG-         4.50    (#   1134:20  Unique         2.63, 3.91 A)
 &rst
  ixpk= 1134, nxpk= 20, iat=2176,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2232,2233,
 &end
#
#    0 AMB  20-2:1135     0 AMB  20-1:1135   3.00    (#   1135:20  Double Ambig)
 &rst
  ixpk= 1135, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=2227,1277,
 igr2=2232,2233,1282,1283,
 &end
#
#    0 AMB  20-2:1136     0 AMB  20-1:1136   5.50    (#   1136:20  Double Ambig)
 &rst
  ixpk= 1136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1952,1953,2213,2214,
 igr2=1971,1972,2164,2165,
 &end
#
#  141 LEU  HA          144 GLN  HG+         4.50    (#   1137:20  Unique         2.63, 3.91 A)
 &rst
  ixpk= 1137, nxpk= 20, iat=2176,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2232,2233,
 &end
#
#    0 AMB  20-2:1138     0 AMB  20-1:1138   3.50    (#   1138:20  Double Ambig)
 &rst
  ixpk= 1138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
 igr1=2183,2184,2185,2104,2105,2106,1794,1795,1796,2255,
      2256,2257,
 igr2=2232,2233,2164,2165,1971,1972,2232,2233,
 &end
#
#    0 AMB  20-2:1139     0 AMB  20-1:1139   3.00    (#   1139:20  Double Ambig)
 &rst
  ixpk= 1139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2227,1904,1277,
 igr2=2232,2233,1971,1972,1338,1339,
 &end
#
#   90 ILE  QD1          86 GLN  HG+         3.50    (#   1140:20  Unique         2.38, 3.69 A)
 &rst
  ixpk= 1140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1361,1362,1363,
 igr2=1282,1283,
 &end
#
#    0 AMB  20-2:1141     0 AMB  20-1:1141   3.50    (#   1141:20  Double Ambig)
 &rst
  ixpk= 1141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1279,1280,2207,2208,
 igr2=1282,1283,2232,2233,
 &end
#
#    0 AMB  20-2:1142     0 AMB  20-1:1142   3.50    (#   1142:20  Double Ambig)
 &rst
  ixpk= 1142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1279,1280,1358,1359,
 igr2=1282,1283,1282,1283,
 &end
#
#    0 AMB  20-2:1144     0 AMB  20-1:1144   3.00    (#   1144:20  Double Ambig)
 &rst
  ixpk= 1144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=2229,2230,1335,1336,2161,2162,
 igr2=2232,2233,1338,1339,2164,2165,
 &end
#
#   86 GLN  HA            0 AMB  20-1:1145   4.50    (#   1145:20  Single Ambig)
 &rst
  ixpk= 1145, nxpk= 20, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1282,1283,1338,1339,
 &end
#
#   86 GLN  HB+          86 GLN  HG-         3.50    (#   1146:20  Unique         2.40, 2.67 A)
 &rst
  ixpk= 1146, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1279,1280,
 igr2=1282,1283,
 &end
#
#    0 AMB  20-2:1147    86 GLN  HG-         3.00    (#   1147:20  Single Ambig)
 &rst
  ixpk= 1147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1279,1280,1358,1359,
 igr2=1282,1283,
 &end
#
#   90 ILE  QD1          86 GLN  HG-         3.50    (#   1148:20  Unique         2.38, 3.69 A)
 &rst
  ixpk= 1148, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1361,1362,1363,
 igr2=1282,1283,
 &end
#
#   65 VAL  HA           65 VAL  HB          4.50    (#   1149:20  Unique         3.04, 3.04 A)
 &rst
  ixpk= 1149, nxpk= 20, iat= 966, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 VAL  MG1          65 VAL  HB          3.00    (#   1150:20  Unique         2.44, 2.67 A)
 &rst
  ixpk= 1150, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 970, 971, 972,
 &end
#
#   65 VAL  MG2          65 VAL  HB          3.00    (#   1151:20  Unique         2.44, 2.66 A)
 &rst
  ixpk= 1151, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 974, 975, 976,
 &end
#
#    0 AMB  20-2:1152   101 LYS  HB-         5.50    (#   1152:20  Single Ambig)
 &rst
  ixpk= 1152, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1109,1110,1111,1542,1543,
 igr2=1536,1537,
 &end
#
#   89 GLN  HA           89 GLN  HG-         3.50    (#   1153:20  Unique         2.55, 2.84 A)
 &rst
  ixpk= 1153, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1338,1339,
 &end
#
#  101 LYS  HG+         101 LYS  HB+         4.50    (#   1156:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 1156, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1539,1540,
 igr2=1536,1537,
 &end
#
#  101 LYS  HG+         101 LYS  HB-         5.50    (#   1158:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 1158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1539,1540,
 igr2=1536,1537,
 &end
#
#  101 LYS  HG-         101 LYS  HB-         5.50    (#   1159:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1539,1540,
 igr2=1536,1537,
 &end
#
#    0 AMB  20-2:1160     0 AMB  20-1:1160   4.50    (#   1160:20  Double Ambig)
 &rst
  ixpk= 1160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1409,1400,1401,
 igr2=1414,1415,1414,1415,
 &end
#
#   94 GLN  HB+          94 GLN  HG+         3.50    (#   1162:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1411,1412,
 igr2=1414,1415,
 &end
#
#   90 ILE  QG2          94 GLN  HG+         3.50    (#   1163:20  Unique         3.31, 5.27 A)
 &rst
  ixpk= 1163, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1354,1355,1356,
 igr2=1414,1415,
 &end
#
#    0 AMB  20-2:1164    94 GLN  HG-         3.50    (#   1164:20  Single Ambig)
 &rst
  ixpk= 1164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1409,1400,1401,
 igr2=1414,1415,
 &end
#
#   94 GLN  HB+          94 GLN  HG-         3.50    (#   1165:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 1165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1411,1412,
 igr2=1414,1415,
 &end
#
#    0 AMB  20-2:1167   109 VAL  HB          3.50    (#   1167:20  Single Ambig)
 &rst
  ixpk= 1167, nxpk= 20, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1703,1704,1705,1691,1692,1693,
 &end
#
#  109 VAL  MG1         109 VAL  HB          3.50    (#   1168:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 1168, nxpk= 20, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1687,1688,1689,
 &end
#
#  137 LEU  MD1         109 VAL  HB          4.50    (#   1169:20  Unique         2.18, 3.16 A)
 &rst
  ixpk= 1169, nxpk= 20, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2104,2105,2106,
 &end
#
#  109 VAL  HA          109 VAL  HB          5.50    (#   1170:20  Unique         3.03, 3.03 A)
 &rst
  ixpk= 1170, nxpk= 20, iat=1683,1685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  116 VAL  MG1         116 VAL  HB          3.50    (#   1171:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 1171, nxpk= 20, iat=  -1,1769, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1771,1772,1773,
 &end
#
#    0 AMB  20-2:1173     0 AMB  20-1:1173   3.00    (#   1173:20  Double Ambig)
 &rst
  ixpk= 1173, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1041,1042,1043,1775,1776,1777,
 igr2=1009,1010,1769,
 &end
#
#   88 LYS  QD           88 LYS  HB+         3.50    (#   1175:20  Unique         2.38, 3.04 A)
 &rst
  ixpk= 1175, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1319,1320,
 igr2=1313,1314,
 &end
#
#    0 AMB  20-2:1176     0 AMB  20-1:1176   3.00    (#   1176:20  Double Ambig)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 271,2263,
 igr2= 322, 323,2265,2266,
 &end
#
#    0 AMB  20-2:1177     0 AMB  20-1:1177   4.50    (#   1177:20  Double Ambig)
 &rst
  ixpk= 1177, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=2274,2275, 331, 332,
 igr2=2265,2266, 322, 323,
 &end
#
#   22 LYS  HA           22 LYS  HB+         3.50    (#   1178:20  Unique         2.59, 2.83 A)
 &rst
  ixpk= 1178, nxpk= 20, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 322, 323,
 &end
#
#   30 LEU  MD1         146 LYS  HB+         3.50    (#   1179:20  Unique         3.76, 5.38 A)
 &rst
  ixpk= 1179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 450, 451, 452,
 igr2=2265,2266,
 &end
#
#  147 LYS  HA          147 LYS  HB+         3.00    (#   1180:20  Unique         2.48, 2.79 A)
 &rst
  ixpk= 1180, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2287,2288,
 &end
#
#    0 AMB  20-2:1181     0 AMB  20-1:1181   3.00    (#   1181:20  Double Ambig)
 &rst
  ixpk= 1181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2293,2294,2213,2214,
 igr2=2287,2288,2265,2266,
 &end
#
#    0 AMB  20-2:1182     0 AMB  20-1:1182   3.00    (#   1182:20  Double Ambig)
 &rst
  ixpk= 1182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=2227,2263,
 igr2=2287,2288,2265,2266,
 &end
#
#    0 AMB  20-2:1183     0 AMB  20-1:1183   4.50    (#   1183:20  Double Ambig)
 &rst
  ixpk= 1183, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2274,2275, 188, 189,
 igr2=2265,2266,1769,
 &end
#
#    0 AMB  20-2:1184     0 AMB  20-1:1184   3.50    (#   1184:20  Double Ambig)
 &rst
  ixpk= 1184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 450, 451, 452,1794,1795,1796,
 igr2=2265,2266,1769,
 &end
#
#   80 VAL  MG1          80 VAL  HB          3.50    (#   1185:20  Unique         2.43, 2.66 A)
 &rst
  ixpk= 1185, nxpk= 20, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1188,1189,1190,
 &end
#
#   80 VAL  MG2          80 VAL  HB          3.50    (#   1186:20  Unique         2.37, 2.65 A)
 &rst
  ixpk= 1186, nxpk= 20, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1192,1193,1194,
 &end
#
#   91 ILE  QG2          88 LYS  HB+         5.50    (#   1188:20  Unique         6.24, 7.42 A)
 &rst
  ixpk= 1188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1373,1374,1375,
 igr2=1313,1314,
 &end
#
#    0 AMB  20-2:1189     0 AMB  20-1:1189   3.00    (#   1189:20  Double Ambig)
 &rst
  ixpk= 1189, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=2210,2211,2268,2269,2213,2214,
 igr2=2207,2208,2265,2266,
 &end
#
#    0 AMB  20-2:1190     0 AMB  20-1:1190   3.00    (#   1190:20  Double Ambig)
 &rst
  ixpk= 1190, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=2210,2211,2268,2269, 325, 326,
 igr2=2207,2208,2265,2266, 322, 323,
 &end
#
#    0 AMB  20-2:1191     0 AMB  20-1:1191   3.50    (#   1191:20  Double Ambig)
 &rst
  ixpk= 1191, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 320,1498,
 igr2= 322, 323,1558,
 &end
#
#    0 AMB  20-2:1192     0 AMB  20-1:1192   3.00    (#   1192:20  Double Ambig)
 &rst
  ixpk= 1192, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2210,2211, 325, 326,
 igr2=2207,2208, 322, 323,
 &end
#
#  143 LYS  HA          146 LYS  HB-         3.50    (#   1193:20  Unique         2.37, 3.46 A)
 &rst
  ixpk= 1193, nxpk= 20, iat=2205,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2265,2266,
 &end
#
#    0 AMB  20-2:1194     0 AMB  20-1:1194   3.00    (#   1194:20  Double Ambig)
 &rst
  ixpk= 1194, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1564,1565,1566,2055,2056,2057,
 igr2=1186,1769,
 &end
#
#   68 PRO  HG+          68 PRO  HB+         3.00    (#   1197:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 1197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1006,1007,
 igr2=1009,1010,
 &end
#
#  143 LYS  HA          143 LYS  HB+         3.50    (#   1198:20  Unique         2.42, 2.79 A)
 &rst
  ixpk= 1198, nxpk= 20, iat=2205,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2207,2208,
 &end
#
#  102 VAL  MG2         102 VAL  HB          3.00    (#   1199:20  Unique         2.26, 2.62 A)
 &rst
  ixpk= 1199, nxpk= 20, iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1564,1565,1566,
 &end
#
#    3 ILE  HG1-          1 MET  HG+         4.50    (#   1200:20  Unique         2.26, 3.53 A)
 &rst
  ixpk= 1200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  43,  44,
 igr2=  11,  12,
 &end
#
#    1 MET  HA            1 MET  HG+         4.50    (#   1201:20  Unique         2.94, 3.49 A)
 &rst
  ixpk= 1201, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  11,  12,
 &end
#
#  145 LEU  MD1           1 MET  HG+         3.00    (#   1202:20  Unique         2.36, 4.17 A)
 &rst
  ixpk= 1202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2251,2252,2253,
 igr2=  11,  12,
 &end
#
#    3 ILE  QD1           1 MET  HG+         4.50    (#   1203:20  Unique         2.83, 4.33 A)
 &rst
  ixpk= 1203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  46,  47,  48,
 igr2=  11,  12,
 &end
#
#    1 MET  HB-           1 MET  HG+         3.00    (#   1204:20  Unique         2.38, 2.59 A)
 &rst
  ixpk= 1204, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=   8,   9,
 igr2=  11,  12,
 &end
#
#    0 AMB  20-2:1205     0 AMB  20-1:1205   3.00    (#   1205:20  Double Ambig)
 &rst
  ixpk= 1205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=   8,   9,  15,  16,  17,
 igr2=  11,  12,  11,  12,
 &end
#
#    0 AMB  20-2:1206    52 VAL  HB          3.00    (#   1206:20  Single Ambig)
 &rst
  ixpk= 1206, nxpk= 20, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 761, 762, 763, 757, 758, 759,
 &end
#
#   43 PRO  HD-          43 PRO  HB-         3.50    (#   1207:20  Unique         2.63, 3.61 A)
 &rst
  ixpk= 1207, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 630, 631,
 igr2= 636, 637,
 &end
#
#   43 PRO  HD+          43 PRO  HB+         4.50    (#   1208:20  Unique         2.63, 3.61 A)
 &rst
  ixpk= 1208, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 630, 631,
 igr2= 636, 637,
 &end
#
#   43 PRO  HD-          43 PRO  HB+         4.50    (#   1209:20  Unique         2.63, 3.61 A)
 &rst
  ixpk= 1209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 630, 631,
 igr2= 636, 637,
 &end
#
#   43 PRO  HA           43 PRO  HB+         3.50    (#   1213:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 1213, nxpk= 20, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 636, 637,
 &end
#
#   43 PRO  HA           43 PRO  HB-         4.50    (#   1215:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 1215, nxpk= 20, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 636, 637,
 &end
#
#    0 AMB  20-2:1216    39 VAL  HB          3.50    (#   1216:20  Single Ambig)
 &rst
  ixpk= 1216, nxpk= 20, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 120, 574,
 &end
#
#   90 ILE  QG2          39 VAL  HB          3.50    (#   1217:20  Unique         2.27, 4.26 A)
 &rst
  ixpk= 1217, nxpk= 20, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1354,1355,1356,
 &end
#
#   39 VAL  MG1          39 VAL  HB          3.50    (#   1218:20  Unique         2.26, 2.65 A)
 &rst
  ixpk= 1218, nxpk= 20, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 578, 579, 580,
 &end
#
#   39 VAL  MG2          39 VAL  HB          3.00    (#   1219:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 1219, nxpk= 20, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 582, 583, 584,
 &end
#
#    1 MET  HE          150 ARG  HB-         4.50    (#   1223:20  Unique         2.37, 4.77 A)
 &rst
  ixpk= 1223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  15,  16,  17,
 igr2=2345,2346,
 &end
#
#  150 ARG  HA          150 ARG  HB-         3.50    (#   1224:20  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1224, nxpk= 20, iat=2343,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2345,2346,
 &end
#
#   58 LYS  HA           58 LYS  HB+         5.50    (#   1225:20  Unique         2.52, 2.79 A)
 &rst
  ixpk= 1225, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 850, 851,
 &end
#
#   58 LYS  HG+          58 LYS  HB+         4.50    (#   1227:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 1227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 853, 854,
 igr2= 850, 851,
 &end
#
#  150 ARG  HA          150 ARG  HB+         3.50    (#   1228:20  Unique         2.23, 2.63 A)
 &rst
  ixpk= 1228, nxpk= 20, iat=2343,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2345,2346,
 &end
#
#  150 ARG  HD+         150 ARG  HB+         5.50    (#   1229:20  Unique         2.38, 3.38 A)
 &rst
  ixpk= 1229, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2351,2352,
 igr2=2345,2346,
 &end
#
#  150 ARG  HG+         150 ARG  HB+         3.00    (#   1231:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1231, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2348,2349,
 igr2=2345,2346,
 &end
#
#  106 LYS  HA          106 LYS  HB+         4.50    (#   1232:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 1232, nxpk= 20, iat=1625,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1627,1628,
 &end
#
#  150 ARG  HG+         150 ARG  HB-         3.00    (#   1234:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1234, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2348,2349,
 igr2=2345,2346,
 &end
#
#   58 LYS  HA           58 LYS  HB-         5.50    (#   1235:20  Unique         2.52, 2.79 A)
 &rst
  ixpk= 1235, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 850, 851,
 &end
#
#   58 LYS  HG+          58 LYS  HB-         4.50    (#   1237:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 1237, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 853, 854,
 igr2= 850, 851,
 &end
#
#  106 LYS  HG+         106 LYS  HB+         3.50    (#   1238:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 1238, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1630,1631,
 igr2=1627,1628,
 &end
#
#  106 LYS  HD+         106 LYS  HB+         5.50    (#   1239:20  Unique         2.43, 3.26 A)
 &rst
  ixpk= 1239, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1633,1634,
 igr2=1627,1628,
 &end
#
#   20 LEU  HB+          58 LYS  HB-         7.00    (#   1240:20  Unique         6.20, 7.56 A)
 &rst
  ixpk= 1240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 283, 284,
 igr2= 850, 851,
 &end
#
#  149 ARG  HA          149 ARG  HB+         3.50    (#   1247:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 1247, nxpk= 20, iat=2319,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2321,2322,
 &end
#
#    0 AMB  20-2:1249     0 AMB  20-1:1249   3.00    (#   1249:20  Double Ambig)
 &rst
  ixpk= 1249, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2324,2325,2213,2214,
 igr2=2321,2322,2137,2138,
 &end
#
#    0 AMB  20-2:1250     0 AMB  20-1:1250   3.50    (#   1250:20  Double Ambig)
 &rst
  ixpk= 1250, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=2135,2082,2343,
 igr2=2137,2138,2321,2322,
 &end
#
#  149 ARG  HA          149 ARG  HB-         3.50    (#   1251:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 1251, nxpk= 20, iat=2319,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2321,2322,
 &end
#
#    0 AMB  20-2:1252   149 ARG  HB-         4.50    (#   1252:20  Single Ambig)
 &rst
  ixpk= 1252, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=2327,2328,2351,2352,
 igr2=2321,2322,
 &end
#
#  149 ARG  HG+         149 ARG  HB-         3.00    (#   1254:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 1254, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2324,2325,
 igr2=2321,2322,
 &end
#
#   57 GLU  HA           57 GLU  HB+         3.50    (#   1255:20  Unique         2.48, 2.78 A)
 &rst
  ixpk= 1255, nxpk= 20, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 835, 836,
 &end
#
#   57 GLU  HG+          57 GLU  HB+         3.50    (#   1256:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 1256, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 838, 839,
 igr2= 835, 836,
 &end
#
#    0 AMB  20-2:1258     0 AMB  20-1:1258   3.50    (#   1258:20  Double Ambig)
 &rst
  ixpk= 1258, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=2140,2141,2210,2211,
 igr2=2137,2138,2137,2138,
 &end
#
#   57 GLU  HG+          57 GLU  HB-         3.50    (#   1259:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 1259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 838, 839,
 igr2= 835, 836,
 &end
#
#    0 AMB  20-2:1260     0 AMB  20-1:1260   3.50    (#   1260:20  Double Ambig)
 &rst
  ixpk= 1260, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1506,1507, 405, 406,
 igr2=1500,1501, 399, 400,
 &end
#
#  133 GLU  HA          133 GLU  HB+         4.50    (#   1261:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1261, nxpk= 20, iat=2033,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2035,2036,
 &end
#
#  133 GLU  HG+         133 GLU  HB+         3.50    (#   1263:20  Unique         2.38, 2.71 A)
 &rst
  ixpk= 1263, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2038,2039,
 igr2=2035,2036,
 &end
#
#    0 AMB  20-2:1264     0 AMB  20-1:1264   3.50    (#   1264:20  Double Ambig)
 &rst
  ixpk= 1264, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 445, 446, 448,2197,2198,2199,
 igr2= 423, 424, 423, 424, 423, 424,
 &end
#
#   28 GLU  HA           28 GLU  HB+         3.50    (#   1265:20  Unique         2.51, 2.80 A)
 &rst
  ixpk= 1265, nxpk= 20, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 423, 424,
 &end
#
#   24 ILE  HA           27 ARG  HB+         4.50    (#   1267:20  Unique         2.48, 3.68 A)
 &rst
  ixpk= 1267, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 399, 400,
 &end
#
#    0 AMB  20-2:1268     0 AMB  20-1:1268   3.00    (#   1268:20  Double Ambig)
 &rst
  ixpk= 1268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1506,1507, 405, 406,
 igr2=1500,1501, 399, 400,
 &end
#
#   57 GLU  HA           57 GLU  HB-         3.50    (#   1269:20  Unique         2.48, 2.78 A)
 &rst
  ixpk= 1269, nxpk= 20, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 835, 836,
 &end
#
#   28 GLU  HA           28 GLU  HB-         3.50    (#   1271:20  Unique         2.51, 2.80 A)
 &rst
  ixpk= 1271, nxpk= 20, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 423, 424,
 &end
#
#   25 ALA  HA           28 GLU  HB-         4.50    (#   1272:20  Unique         2.60, 3.41 A)
 &rst
  ixpk= 1272, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 423, 424,
 &end
#
#   28 GLU  HG+          28 GLU  HB-         3.50    (#   1273:20  Unique         2.40, 2.60 A)
 &rst
  ixpk= 1273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 426, 427,
 igr2= 423, 424,
 &end
#
#    0 AMB  20-2:1274     0 AMB  20-1:1274   3.50    (#   1274:20  Double Ambig)
 &rst
  ixpk= 1274, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1390,1391,1392,1881,1882,
 igr2=1500,1501, 771, 772,
 &end
#
#    0 AMB  20-2:1275     0 AMB  20-1:1275   3.50    (#   1275:20  Double Ambig)
 &rst
  ixpk= 1275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1498,1388,
 igr2=1500,1501,1500,1501,
 &end
#
#   99 ARG  HG-          99 ARG  HB+         3.50    (#   1276:20  Unique         2.20, 2.75 A)
 &rst
  ixpk= 1276, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1503,1504,
 igr2=1500,1501,
 &end
#
#    0 AMB  20-2:1277     0 AMB  20-1:1277   3.50    (#   1277:20  Double Ambig)
 &rst
  ixpk= 1277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1503,1504, 355,
 igr2=1500,1501, 361, 362,
 &end
#
#    0 AMB  20-2:1278    99 ARG  HB-         4.50    (#   1278:20  Single Ambig)
 &rst
  ixpk= 1278, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1498,1388,
 igr2=1500,1501,
 &end
#
#   92 ALA  MB           99 ARG  HB-         4.50    (#   1279:20  Unique         2.14, 3.81 A)
 &rst
  ixpk= 1279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1390,1391,1392,
 igr2=1500,1501,
 &end
#
#   94 GLN  HA           94 GLN  HB-         3.50    (#   1281:20  Unique         2.36, 2.39 A)
 &rst
  ixpk= 1281, nxpk= 20, iat=1409,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1411,1412,
 &end
#
#   80 VAL  MG2         101 LYS  HD+         5.50    (#   1283:20  Unique         2.43, 4.43 A)
 &rst
  ixpk= 1283, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1192,1193,1194,
 igr2=1542,1543,
 &end
#
#   94 GLN  HA           94 GLN  HB+         3.50    (#   1284:20  Unique         2.36, 2.39 A)
 &rst
  ixpk= 1284, nxpk= 20, iat=1409,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1411,1412,
 &end
#
#   94 GLN  HG+          94 GLN  HB+         4.50    (#   1285:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 1285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1414,1415,
 igr2=1411,1412,
 &end
#
#   94 GLN  HG-          94 GLN  HB+         3.50    (#   1286:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 1286, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1414,1415,
 igr2=1411,1412,
 &end
#
#   24 ILE  HA           24 ILE  HG1-        5.50    (#   1288:20  Unique         2.35, 2.60 A)
 &rst
  ixpk= 1288, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 361, 362,
 &end
#
#   19 ALA  HA           22 LYS  HD+         4.50    (#   1289:20  Unique         2.74, 3.80 A)
 &rst
  ixpk= 1289, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 328, 329,
 &end
#
#    0 AMB  20-2:1290     0 AMB  20-1:1290   4.50    (#   1290:20  Double Ambig)
 &rst
  ixpk= 1290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 320, 256,1983,
 igr2= 328, 329, 328, 329, 185, 186,
 &end
#
#    0 AMB  20-2:1291     0 AMB  20-1:1291   3.00    (#   1291:20  Double Ambig)
 &rst
  ixpk= 1291, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 182, 183, 325, 326,
 igr2= 185, 186, 328, 329,
 &end
#
#    0 AMB  20-2:1293     0 AMB  20-1:1293   4.50    (#   1293:20  Double Ambig)
 &rst
  ixpk= 1293, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 510, 511, 512,1771,1772,1773,
 igr2= 328, 329, 185, 186,
 &end
#
#  101 LYS  HB+         101 LYS  HD+         5.50    (#   1297:20  Unique         2.39, 2.98 A)
 &rst
  ixpk= 1297, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1536,1537,
 igr2=1542,1543,
 &end
#
#  101 LYS  HB-         101 LYS  HD+         4.50    (#   1298:20  Unique         2.39, 2.98 A)
 &rst
  ixpk= 1298, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1536,1537,
 igr2=1542,1543,
 &end
#
#  101 LYS  HG-         101 LYS  HD+         3.50    (#   1299:20  Unique         2.31, 2.71 A)
 &rst
  ixpk= 1299, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1539,1540,
 igr2=1542,1543,
 &end
#
#    0 AMB  20-2:1300     0 AMB  20-1:1300   3.00    (#   1300:20  Double Ambig)
 &rst
  ixpk= 1300, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 774, 775, 426, 427,
 igr2= 771, 772, 399, 400,
 &end
#
#   50 HIS  HA           53 GLU  HB-         4.50    (#   1301:20  Unique         2.19, 2.75 A)
 &rst
  ixpk= 1301, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 771, 772,
 &end
#
#  124 ILE  QD1          53 GLU  HB-         3.50    (#   1302:20  Unique         2.21, 4.05 A)
 &rst
  ixpk= 1302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1884,1885,1886,
 igr2= 771, 772,
 &end
#
#    0 AMB  20-2:1304    24 ILE  HG1-        3.00    (#   1304:20  Single Ambig)
 &rst
  ixpk= 1304, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 364, 365, 366, 357, 358, 359,
 igr2= 361, 362,
 &end
#
#   24 ILE  HA           24 ILE  HG1+        5.50    (#   1306:20  Unique         2.35, 2.60 A)
 &rst
  ixpk= 1306, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 361, 362,
 &end
#
#  135 GLU  HA          135 GLU  HB+         3.50    (#   1309:20  Unique         2.48, 2.78 A)
 &rst
  ixpk= 1309, nxpk= 20, iat=2067,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2069,2070,
 &end
#
#  132 ASP  HA          135 GLU  HB+         5.50    (#   1310:20  Unique         3.00, 3.45 A)
 &rst
  ixpk= 1310, nxpk= 20, iat=2021,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2069,2070,
 &end
#
#   20 LEU  QD1         135 GLU  HB+         3.00    (#   1311:20  Unique         2.24, 4.00 A)
 &rst
  ixpk= 1311, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 288, 289, 290,
 igr2=2069,2070,
 &end
#
#  124 ILE  QD1          53 GLU  HB+         3.50    (#   1312:20  Unique         2.21, 4.05 A)
 &rst
  ixpk= 1312, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1884,1885,1886,
 igr2= 771, 772,
 &end
#
#    0 AMB  20-2:1315     0 AMB  20-1:1315   4.50    (#   1315:20  Double Ambig)
 &rst
  ixpk= 1315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1536,1537,1627,1628,
 igr2=1542,1543,1633,1634,
 &end
#
#   97 ARG  HA           97 ARG  HB+         3.50    (#   1316:20  Unique         2.56, 2.81 A)
 &rst
  ixpk= 1316, nxpk= 20, iat=1453,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1455,1456,
 &end
#
#   97 ARG  HD+          97 ARG  HB+         3.50    (#   1317:20  Unique         2.49, 3.40 A)
 &rst
  ixpk= 1317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1461,1462,
 igr2=1455,1456,
 &end
#
#   97 ARG  HG-          97 ARG  HB+         3.50    (#   1319:20  Unique         2.40, 2.74 A)
 &rst
  ixpk= 1319, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1458,1459,
 igr2=1455,1456,
 &end
#
#   97 ARG  HA           97 ARG  HB-         4.50    (#   1320:20  Unique         2.56, 2.81 A)
 &rst
  ixpk= 1320, nxpk= 20, iat=1453,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1455,1456,
 &end
#
#    0 AMB  20-2:1321     0 AMB  20-1:1321   4.50    (#   1321:20  Double Ambig)
 &rst
  ixpk= 1321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1461,1462,1428,1429,
 igr2=1455,1456,1105,1106,
 &end
#
#   97 ARG  HG-          97 ARG  HB-         3.50    (#   1323:20  Unique         2.40, 2.74 A)
 &rst
  ixpk= 1323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1458,1459,
 igr2=1455,1456,
 &end
#
#   50 HIS  HA            0 AMB  20-1:1326   5.50    (#   1326:20  Single Ambig)
 &rst
  ixpk= 1326, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 771, 772, 728,
 &end
#
#    0 AMB  20-2:1329     0 AMB  20-1:1329   3.00    (#   1329:20  Double Ambig)
 &rst
  ixpk= 1329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1884,1885,1886,1877,1878,1879,
 igr2=1881,1882,1881,1882,
 &end
#
#    0 AMB  20-2:1330     0 AMB  20-1:1330   3.00    (#   1330:20  Double Ambig)
 &rst
  ixpk= 1330, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 387, 388, 774, 775,2087,2088,
 igr2= 384, 385, 771, 772,2084,2085,
 &end
#
#   72 GLU  HA           75 GLU  HB-         4.50    (#   1331:20  Unique         2.49, 3.52 A)
 &rst
  ixpk= 1331, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1119,1120,
 &end
#
#  146 LYS  HA          146 LYS  HD+         4.50    (#   1332:20  Unique         2.15, 4.25 A)
 &rst
  ixpk= 1332, nxpk= 20, iat=2263,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2271,2272,
 &end
#
#    0 AMB  20-2:1333     0 AMB  20-1:1333   3.50    (#   1333:20  Double Ambig)
 &rst
  ixpk= 1333, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 450, 451, 452, 801, 802, 803, 234, 235,
 igr2=2271,2272,1999,2000,
 &end
#
#    0 AMB  20-2:1334   124 ILE  HG1-        3.00    (#   1334:20  Single Ambig)
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1884,1885,1886,1877,1878,1879,
 igr2=1881,1882,
 &end
#
#   71 GLU  HA           71 GLU  HB+         4.50    (#   1335:20  Unique         2.52, 2.79 A)
 &rst
  ixpk= 1335, nxpk= 20, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1053,1054,
 &end
#
#   71 GLU  HG+          71 GLU  HB+         3.00    (#   1336:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 1336, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1056,1057,
 igr2=1053,1054,
 &end
#
#   71 GLU  HA           71 GLU  HB-         4.50    (#   1339:20  Unique         2.52, 2.79 A)
 &rst
  ixpk= 1339, nxpk= 20, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1053,1054,
 &end
#
#   71 GLU  HG+          71 GLU  HB-         3.50    (#   1340:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 1340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1056,1057,
 igr2=1053,1054,
 &end
#
#    0 AMB  20-2:1342    75 GLU  HB-         3.00    (#   1342:20  Single Ambig)
 &rst
  ixpk= 1342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1122,1123,1122,1123,
 igr2=1119,1120,
 &end
#
#    0 AMB  20-2:1343    55 LEU  HG          3.00    (#   1343:20  Single Ambig)
 &rst
  ixpk= 1343, nxpk= 20, iat=  -1, 799, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1= 801, 802, 803, 234, 235,
 &end
#
#  124 ILE  QD1         128 LYS  HD+         5.50    (#   1344:20  Unique         6.65, 7.88 A)
 &rst
  ixpk= 1344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1884,1885,1886,
 igr2=1952,1953,
 &end
#
#    0 AMB  20-2:1345   106 LYS  HD-         3.00    (#   1345:20  Single Ambig)
 &rst
  ixpk= 1345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1630,1631,1703,1704,1705,
 igr2=1633,1634,
 &end
#
#   71 GLU  HG-          71 GLU  HB+         3.00    (#   1346:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 1346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1056,1057,
 igr2=1053,1054,
 &end
#
#   27 ARG  HG-          26 GLU  HB+         5.50    (#   1347:20  Unique         3.86, 6.10 A)
 &rst
  ixpk= 1347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 402, 403,
 igr2= 384, 385,
 &end
#
#  129 GLN  HA          128 LYS  HD+         3.50    (#   1348:20  Unique         2.80, 3.82 A)
 &rst
  ixpk= 1348, nxpk= 20, iat=1966,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1952,1953,
 &end
#
#    0 AMB  20-2:1349     0 AMB  20-1:1349   3.00    (#   1349:20  Double Ambig)
 &rst
  ixpk= 1349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1630,1631,1703,1704,1705,
 igr2=1633,1634,1633,1634,
 &end
#
#  137 LEU  MD1         106 LYS  HG+         4.50    (#   1350:20  Unique         4.12, 5.62 A)
 &rst
  ixpk= 1350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2104,2105,2106,
 igr2=1630,1631,
 &end
#
#  147 LYS  HA          147 LYS  HD+         4.50    (#   1352:20  Unique         4.24, 4.59 A)
 &rst
  ixpk= 1352, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2293,2294,
 &end
#
#    0 AMB  20-2:1353     0 AMB  20-1:1353   3.00    (#   1353:20  Double Ambig)
 &rst
  ixpk= 1353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=2287,2288,2137,2138,2265,2266,
 igr2=2293,2294,2213,2214,2213,2214,
 &end
#
#    0 AMB  20-2:1354     0 AMB  20-1:1354   3.00    (#   1354:20  Double Ambig)
 &rst
  ixpk= 1354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1949,1950,2290,2291,2210,2211,
 igr2=1952,1953,2293,2294,2213,2214,
 &end
#
#    0 AMB  20-2:1355     0 AMB  20-1:1355   3.00    (#   1355:20  Double Ambig)
 &rst
  ixpk= 1355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1955,1956,2216,2217,2296,2297,
 igr2=1952,1953,2213,2214,2293,2294,
 &end
#
#    0 AMB  20-2:1356     0 AMB  20-1:1356   3.50    (#   1356:20  Double Ambig)
 &rst
  ixpk= 1356, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1971,1972,2164,2165,
 igr2=1952,1953,2213,2214,
 &end
#
#  143 LYS  HA          143 LYS  HD+         4.50    (#   1357:20  Unique         2.20, 3.82 A)
 &rst
  ixpk= 1357, nxpk= 20, iat=2205,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2213,2214,
 &end
#
#   46 LYS  HE+          46 LYS  HD+         3.00    (#   1358:20  Unique         2.38, 2.72 A)
 &rst
  ixpk= 1358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 677, 678,
 igr2= 674, 675,
 &end
#
#  139 ARG  HD+         139 ARG  HG-         3.50    (#   1360:20  Unique         2.37, 2.69 A)
 &rst
  ixpk= 1360, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2143,2144,
 igr2=2140,2141,
 &end
#
#    0 AMB  20-2:1361     0 AMB  20-1:1361   3.00    (#   1361:20  Double Ambig)
 &rst
  ixpk= 1361, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1071,1072,2072,2073,
 igr2=1068,1069,2140,2141,
 &end
#
#   72 GLU  HA           72 GLU  HB+         3.00    (#   1362:20  Unique         2.40, 2.43 A)
 &rst
  ixpk= 1362, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1068,1069,
 &end
#
#   46 LYS  HB+          46 LYS  HD+         3.50    (#   1363:20  Unique         2.41, 3.03 A)
 &rst
  ixpk= 1363, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 668, 669,
 igr2= 674, 675,
 &end
#
#   72 GLU  HG+          72 GLU  HB-         3.00    (#   1368:20  Unique         2.47, 2.77 A)
 &rst
  ixpk= 1368, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1071,1072,
 igr2=1068,1069,
 &end
#
#   72 GLU  HA           72 GLU  HB-         3.00    (#   1369:20  Unique         2.40, 2.43 A)
 &rst
  ixpk= 1369, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1068,1069,
 &end
#
#    0 AMB  20-2:1372     0 AMB  20-1:1372   4.50    (#   1372:20  Double Ambig)
 &rst
  ixpk= 1372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=2255,2256,2257,2183,2184,2185,
 igr2=2229,2230,2229,2230,
 &end
#
#    0 AMB  20-2:1374   139 ARG  HG-         3.50    (#   1374:20  Single Ambig)
 &rst
  ixpk= 1374, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 364, 365, 366, 357, 358, 359,
 igr2=2140,2141,
 &end
#
#   90 ILE  HA           90 ILE  HG1-        4.50    (#   1375:20  Unique         2.65, 2.76 A)
 &rst
  ixpk= 1375, nxpk= 20, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1358,1359,
 &end
#
#    0 AMB  20-2:1376     0 AMB  20-1:1376   3.00    (#   1376:20  Double Ambig)
 &rst
  ixpk= 1376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1361,1362,1363,1373,1374,1375,
 igr2=1358,1359,1377,1378,
 &end
#
#    0 AMB  20-2:1377     0 AMB  20-1:1377   3.50    (#   1377:20  Double Ambig)
 &rst
  ixpk= 1377, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=2135,2082,
 igr2=2140,2141,2140,2141,
 &end
#
#  139 ARG  HD+         139 ARG  HG+         3.50    (#   1378:20  Unique         2.37, 2.69 A)
 &rst
  ixpk= 1378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2143,2144,
 igr2=2140,2141,
 &end
#
#    0 AMB  20-2:1380     0 AMB  20-1:1380   3.50    (#   1380:20  Double Ambig)
 &rst
  ixpk= 1380, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 364, 365, 366, 357, 358, 359,
 igr2=2140,2141,2140,2141,
 &end
#
#  141 LEU  HA          144 GLN  HB+         5.50    (#   1381:20  Unique         2.38, 3.49 A)
 &rst
  ixpk= 1381, nxpk= 20, iat=2176,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2229,2230,
 &end
#
#  144 GLN  HA          144 GLN  HB+         3.50    (#   1382:20  Unique         2.45, 2.79 A)
 &rst
  ixpk= 1382, nxpk= 20, iat=2227,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2229,2230,
 &end
#
#    0 AMB  20-2:1384   144 GLN  HB-         3.50    (#   1384:20  Single Ambig)
 &rst
  ixpk= 1384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=2255,2256,2257,2183,2184,2185,
 igr2=2229,2230,
 &end
#
#   90 ILE  HA           90 ILE  HG1+        4.50    (#   1386:20  Unique         2.65, 2.76 A)
 &rst
  ixpk= 1386, nxpk= 20, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1358,1359,
 &end
#
#    0 AMB  20-2:1388     0 AMB  20-1:1388   3.50    (#   1388:20  Double Ambig)
 &rst
  ixpk= 1388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1361,1362,1363,1373,1374,1375,
 igr2=1358,1359,1377,1378,
 &end
#
#  144 GLN  HA          144 GLN  HB-         3.00    (#   1389:20  Unique         2.45, 2.79 A)
 &rst
  ixpk= 1389, nxpk= 20, iat=2227,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=2229,2230,
 &end
#
#  126 ILE  HB          126 ILE  HG1-        4.50    (#   1391:20  Unique         2.41, 2.44 A)
 &rst
  ixpk= 1391, nxpk= 20, iat=1906,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1912,1913,
 &end
#
#  126 ILE  QG2         126 ILE  HG1-        4.50    (#   1392:20  Unique         2.42, 3.49 A)
 &rst
  ixpk= 1392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1908,1909,1910,
 igr2=1912,1913,
 &end
#
#  126 ILE  QD1         126 ILE  HG1-        3.00    (#   1393:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1393, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1915,1916,1917,
 igr2=1912,1913,
 &end
#
#  126 ILE  HB          126 ILE  HG1+        4.50    (#   1394:20  Unique         2.41, 2.44 A)
 &rst
  ixpk= 1394, nxpk= 20, iat=1906,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1912,1913,
 &end
#
#  126 ILE  QG2         126 ILE  HG1+        4.50    (#   1395:20  Unique         2.42, 3.49 A)
 &rst
  ixpk= 1395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1908,1909,1910,
 igr2=1912,1913,
 &end
#
#  126 ILE  QD1         126 ILE  HG1+        3.00    (#   1396:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1915,1916,1917,
 igr2=1912,1913,
 &end
#
#    0 AMB  20-2:1397     0 AMB  20-1:1397   3.00    (#   1397:20  Double Ambig)
 &rst
  ixpk= 1397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1971,1972,2232,2233,
 igr2=1968,1969,2161,2162,
 &end
#
#  117 LEU  MD1         129 GLN  HB-         4.50    (#   1398:20  Unique         2.37, 3.39 A)
 &rst
  ixpk= 1398, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1790,1791,1792,
 igr2=1968,1969,
 &end
#
#   89 GLN  HA           89 GLN  HB-         3.00    (#   1399:20  Unique         2.47, 2.80 A)
 &rst
  ixpk= 1399, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1335,1336,
 &end
#
#   92 ALA  MB           89 GLN  HB-         4.50    (#   1400:20  Unique         4.37, 5.91 A)
 &rst
  ixpk= 1400, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1390,1391,1392,
 igr2=1335,1336,
 &end
#
#  117 LEU  MD1         129 GLN  HB+         3.50    (#   1401:20  Unique         2.37, 3.39 A)
 &rst
  ixpk= 1401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1790,1791,1792,
 igr2=1968,1969,
 &end
#
#  109 VAL  MG1         140 GLN  HB+         3.50    (#   1411:20  Unique         2.24, 2.82 A)
 &rst
  ixpk= 1411, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1687,1688,1689,
 igr2=2161,2162,
 &end
#
#    0 AMB  20-2:1412     0 AMB  20-1:1412   3.00    (#   1412:20  Double Ambig)
 &rst
  ixpk= 1412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1966,2159,2097,
 igr2=1968,1969,2161,2162,2161,2162,
 &end
#
#    0 AMB  20-2:1413     0 AMB  20-1:1413   3.50    (#   1413:20  Double Ambig)
 &rst
  ixpk= 1413, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1971,1972,2164,2165,
 igr2=1968,1969,2161,2162,
 &end
#
#  107 GLU  HA          107 GLU  HB+         3.50    (#   1415:20  Unique         2.42, 2.73 A)
 &rst
  ixpk= 1415, nxpk= 20, iat=1647,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1649,1650,
 &end
#
#  109 VAL  MG2         140 GLN  HB-         5.50    (#   1418:20  Unique         3.64, 4.97 A)
 &rst
  ixpk= 1418, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1691,1692,1693,
 igr2=2161,2162,
 &end
#
#    0 AMB  20-2:1419   140 GLN  HB-         3.00    (#   1419:20  Single Ambig)
 &rst
  ixpk= 1419, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2159,2097,
 igr2=2161,2162,
 &end
#
#  109 VAL  MG1         140 GLN  HB-         3.50    (#   1420:20  Unique         2.24, 2.82 A)
 &rst
  ixpk= 1420, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1687,1688,1689,
 igr2=2161,2162,
 &end
#
#  140 GLN  HG+         140 GLN  HB-         3.50    (#   1421:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 1421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2164,2165,
 igr2=2161,2162,
 &end
#
#   79 LEU  HG            3 ILE  HG1+        4.50    (#   1425:20  Unique         4.11, 5.07 A)
 &rst
  ixpk= 1425, nxpk= 20, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  43,  44,
 &end
#
#  107 GLU  HA          107 GLU  HB-         4.50    (#   1426:20  Unique         2.42, 2.73 A)
 &rst
  ixpk= 1426, nxpk= 20, iat=1647,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1649,1650,
 &end
#
#    0 AMB  20-2:1429     0 AMB  20-1:1429   5.50    (#   1429:20  Double Ambig)
 &rst
  ixpk= 1429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1207,1208,1209,1172,1173,1174,
 igr2=  43,  44,  43,  44,
 &end
#
#    0 AMB  20-2:1430     0 AMB  20-1:1430   4.50    (#   1430:20  Double Ambig)
 &rst
  ixpk= 1430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 848, 887,
 igr2= 856, 857, 856, 857,
 &end
#
#   58 LYS  HE+          58 LYS  HD+         5.50    (#   1431:20  Unique         2.37, 2.61 A)
 &rst
  ixpk= 1431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 859, 860,
 igr2= 856, 857,
 &end
#
#   58 LYS  HE-          58 LYS  HD+         4.50    (#   1432:20  Unique         2.37, 2.61 A)
 &rst
  ixpk= 1432, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 859, 860,
 igr2= 856, 857,
 &end
#
#   58 LYS  HB+          58 LYS  HD+         4.50    (#   1433:20  Unique         2.54, 3.29 A)
 &rst
  ixpk= 1433, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 850, 851,
 igr2= 856, 857,
 &end
#
#   58 LYS  HG-          58 LYS  HD-         3.50    (#   1435:20  Unique         2.35, 2.61 A)
 &rst
  ixpk= 1435, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 853, 854,
 igr2= 856, 857,
 &end
#
#    0 AMB  20-2:1437     0 AMB  20-1:1437   3.00    (#   1437:20  Double Ambig)
 &rst
  ixpk= 1437, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=  46,  47,  48, 923, 924, 925,
 igr2=  43,  44, 217, 218,
 &end
#
#    3 ILE  QG2           3 ILE  HG1-        4.50    (#   1438:20  Unique         2.64, 3.60 A)
 &rst
  ixpk= 1438, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  39,  40,  41,
 igr2=  43,  44,
 &end
#
#   79 LEU  HB+           3 ILE  HG1-        4.50    (#   1439:20  Unique         2.25, 3.58 A)
 &rst
  ixpk= 1439, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1167,1168,
 igr2=  43,  44,
 &end
#
#    3 ILE  QG2           3 ILE  HG1+        4.50    (#   1441:20  Unique         2.64, 3.60 A)
 &rst
  ixpk= 1441, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  39,  40,  41,
 igr2=  43,  44,
 &end
#
#   86 GLN  HA           86 GLN  HB+         4.50    (#   1442:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 1442, nxpk= 20, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1279,1280,
 &end
#
#   86 GLN  HG+          86 GLN  HB+         4.50    (#   1443:20  Unique         2.40, 2.67 A)
 &rst
  ixpk= 1443, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1282,1283,
 igr2=1279,1280,
 &end
#
#   86 GLN  HA           86 GLN  HB-         4.50    (#   1444:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 1444, nxpk= 20, iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1279,1280,
 &end
#
#   86 GLN  HG+          86 GLN  HB-         4.50    (#   1445:20  Unique         2.40, 2.67 A)
 &rst
  ixpk= 1445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1282,1283,
 igr2=1279,1280,
 &end
#
#   86 GLN  HG-          86 GLN  HB-         4.50    (#   1446:20  Unique         2.40, 2.67 A)
 &rst
  ixpk= 1446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1282,1283,
 igr2=1279,1280,
 &end
#
#   58 LYS  HG-          58 LYS  HD+         3.50    (#   1447:20  Unique         2.35, 2.61 A)
 &rst
  ixpk= 1447, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 853, 854,
 igr2= 856, 857,
 &end
#
#    0 AMB  20-2:1449    58 LYS  HD-         4.50    (#   1449:20  Single Ambig)
 &rst
  ixpk= 1449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 848, 887,
 igr2= 856, 857,
 &end
#
#   58 LYS  HE+          58 LYS  HD-         4.50    (#   1450:20  Unique         2.37, 2.61 A)
 &rst
  ixpk= 1450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 859, 860,
 igr2= 856, 857,
 &end
#
#   58 LYS  HE-          58 LYS  HD-         5.50    (#   1451:20  Unique         2.37, 2.61 A)
 &rst
  ixpk= 1451, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 859, 860,
 igr2= 856, 857,
 &end
#
#   27 ARG  HA           27 ARG  HG+         3.50    (#   1458:20  Unique         3.10, 3.66 A)
 &rst
  ixpk= 1458, nxpk= 20, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 402, 403,
 &end
#
#   27 ARG  HD+          27 ARG  HG+         3.00    (#   1459:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 1459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 405, 406,
 igr2= 402, 403,
 &end
#
#   27 ARG  HB+          27 ARG  HG+         3.00    (#   1460:20  Unique         2.30, 2.65 A)
 &rst
  ixpk= 1460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 399, 400,
 igr2= 402, 403,
 &end
#
#   24 ILE  HG1-         27 ARG  HG+         3.50    (#   1461:20  Unique         3.69, 4.72 A)
 &rst
  ixpk= 1461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 361, 362,
 igr2= 402, 403,
 &end
#
#   27 ARG  HA           27 ARG  HG-         3.50    (#   1462:20  Unique         3.10, 3.66 A)
 &rst
  ixpk= 1462, nxpk= 20, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 402, 403,
 &end
#
#   27 ARG  HD+          27 ARG  HG-         3.00    (#   1463:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 1463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 405, 406,
 igr2= 402, 403,
 &end
#
#   27 ARG  HB+          27 ARG  HG-         3.00    (#   1464:20  Unique         2.30, 2.65 A)
 &rst
  ixpk= 1464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 399, 400,
 igr2= 402, 403,
 &end
#
#  105 LEU  MD1         105 LEU  HG          3.00    (#   1466:20  Unique         2.41, 2.68 A)
 &rst
  ixpk= 1466, nxpk= 20, iat=  -1,1611, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1613,1614,1615,
 &end
#
#    0 AMB  20-2:1469     0 AMB  20-1:1469   3.50    (#   1469:20  Double Ambig)
 &rst
  ixpk= 1469, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 636, 637,2178,2179,2161,2162,
 igr2= 633, 634,2102,
 &end
#
#   43 PRO  HD-          43 PRO  HG+         3.00    (#   1470:20  Unique         2.35, 2.62 A)
 &rst
  ixpk= 1470, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 630, 631,
 igr2= 633, 634,
 &end
#
#   43 PRO  HA           43 PRO  HG+         4.50    (#   1471:20  Unique         2.59, 3.27 A)
 &rst
  ixpk= 1471, nxpk= 20, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 633, 634,
 &end
#
#    0 AMB  20-2:1472     0 AMB  20-1:1472   3.00    (#   1472:20  Double Ambig)
 &rst
  ixpk= 1472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 630, 631, 995, 996,
 igr2= 633, 634, 633, 634,
 &end
#
#    0 AMB  20-2:1473     0 AMB  20-1:1473   3.00    (#   1473:20  Double Ambig)
 &rst
  ixpk= 1473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 636, 637,2178,2179,2161,2162,
 igr2= 633, 634,2102,
 &end
#
#   24 ILE  QG2          27 ARG  HG+         3.50    (#   1474:20  Unique         3.13, 5.32 A)
 &rst
  ixpk= 1474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 357, 358, 359,
 igr2= 402, 403,
 &end
#
#   28 GLU  HG-          27 ARG  HG-         5.50    (#   1475:20  Unique         2.41, 5.79 A)
 &rst
  ixpk= 1475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 426, 427,
 igr2= 402, 403,
 &end
#
#    4 ILE  QD1          73 LEU  HG          4.50    (#   1476:20  Unique         2.14, 2.68 A)
 &rst
  ixpk= 1476, nxpk= 20, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  65,  66,  67,
 &end
#
#    0 AMB  20-2:1477     0 AMB  20-1:1477   5.50    (#   1477:20  Double Ambig)
 &rst
  ixpk= 1477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 229,2048,
 igr2= 286,1611,
 &end
#
#  106 LYS  HE+         105 LEU  HG          5.50    (#   1478:20  Unique         3.69, 4.66 A)
 &rst
  ixpk= 1478, nxpk= 20, iat=  -1,1611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1636,1637,
 &end
#
#  106 LYS  HE-         105 LEU  HG          5.50    (#   1479:20  Unique         3.69, 4.66 A)
 &rst
  ixpk= 1479, nxpk= 20, iat=  -1,1611, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1636,1637,
 &end
#
#    0 AMB  20-2:1480   105 LEU  HG          4.50    (#   1480:20  Single Ambig)
 &rst
  ixpk= 1480, nxpk= 20, iat=  -1,1611, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2102,1238,1239,1240,
 &end
#
#  116 VAL  MG2         105 LEU  HG          4.50    (#   1481:20  Unique         2.52, 3.74 A)
 &rst
  ixpk= 1481, nxpk= 20, iat=  -1,1611, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1775,1776,1777,
 &end
#
#  105 LEU  HB+         105 LEU  HG          3.00    (#   1482:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 1482, nxpk= 20, iat=  -1,1611, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1608,1609,
 &end
#
#    0 AMB  20-2:1483     0 AMB  20-1:1483   4.50    (#   1483:20  Double Ambig)
 &rst
  ixpk= 1483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1999,2000,1627,1628, 796, 797,
 igr2= 286,1611,
 &end
#
#   17 ALA  HA           20 LEU  HG          5.50    (#   1484:20  Unique         3.71, 5.26 A)
 &rst
  ixpk= 1484, nxpk= 20, iat= 246, 286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:1485    20 LEU  HG          5.50    (#   1485:20  Single Ambig)
 &rst
  ixpk= 1485, nxpk= 20, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2069,2070,2072,2073,2050,2051,
 &end
#
#    0 AMB  20-2:1486    73 LEU  HG          5.50    (#   1486:20  Single Ambig)
 &rst
  ixpk= 1486, nxpk= 20, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1081,1134,1135,
 &end
#
#   73 LEU  HB-          73 LEU  HG          3.50    (#   1487:20  Unique         2.43, 2.74 A)
 &rst
  ixpk= 1487, nxpk= 20, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1083,1084,
 &end
#
#   73 LEU  MD1          73 LEU  HG          3.50    (#   1488:20  Unique         2.34, 2.63 A)
 &rst
  ixpk= 1488, nxpk= 20, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1088,1089,1090,
 &end
#
#    0 AMB  20-2:1489     0 AMB  20-1:1489   3.00    (#   1489:20  Double Ambig)
 &rst
  ixpk= 1489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 450, 451, 452,1092,1093,1094,
 igr2= 448, 527, 528,
 &end
#
#    4 ILE  HB            4 ILE  HG1-        3.50    (#   1490:20  Unique         2.52, 2.81 A)
 &rst
  ixpk= 1490, nxpk= 20, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  62,  63,
 &end
#
#    4 ILE  QD1           4 ILE  HG1-        3.00    (#   1491:20  Unique         2.40, 2.66 A)
 &rst
  ixpk= 1491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  65,  66,  67,
 igr2=  62,  63,
 &end
#
#   73 LEU  MD1           4 ILE  HG1-        3.50    (#   1492:20  Unique         3.00, 4.63 A)
 &rst
  ixpk= 1492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1088,1089,1090,
 igr2=  62,  63,
 &end
#
#    0 AMB  20-2:1493     0 AMB  20-1:1493   7.00    (#   1493:20  Double Ambig)
 &rst
  ixpk= 1493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1767, 271,2097,
 igr2=1611, 286,
 &end
#
#  133 GLU  HG-         105 LEU  HG          7.00    (#   1494:20  Unique         6.52, 7.47 A)
 &rst
  ixpk= 1494, nxpk= 20, iat=  -1,1611, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2038,2039,
 &end
#
#    0 AMB  20-2:1496   145 LEU  HG          5.50    (#   1496:20  Single Ambig)
 &rst
  ixpk= 1496, nxpk= 20, iat=  -1,2249, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2348,2349,2268,2269,
 &end
#
#  137 LEU  HA          137 LEU  HG          4.50    (#   1497:20  Unique         2.63, 2.73 A)
 &rst
  ixpk= 1497, nxpk= 20, iat=2097,2102, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1498   145 LEU  HG          5.50    (#   1498:20  Single Ambig)
 &rst
  ixpk= 1498, nxpk= 20, iat=  -1,2249, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2348,2349,2268,2269,
 &end
#
#  150 ARG  HD+         150 ARG  HG+         3.50    (#   1501:20  Unique         2.35, 2.70 A)
 &rst
  ixpk= 1501, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2351,2352,
 igr2=2348,2349,
 &end
#
#  150 ARG  HB+         150 ARG  HG+         3.00    (#   1502:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2345,2346,
 igr2=2348,2349,
 &end
#
#  150 ARG  HA          150 ARG  HG+         4.50    (#   1503:20  Unique         2.43, 3.52 A)
 &rst
  ixpk= 1503, nxpk= 20, iat=2343,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2348,2349,
 &end
#
#   73 LEU  MD2          73 LEU  HG          3.00    (#   1504:20  Unique         2.42, 2.64 A)
 &rst
  ixpk= 1504, nxpk= 20, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1092,1093,1094,
 &end
#
#   77 ALA  MB            4 ILE  HG1-        3.50    (#   1505:20  Unique         2.31, 3.23 A)
 &rst
  ixpk= 1505, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1145,1146,1147,
 igr2=  62,  63,
 &end
#
#    0 AMB  20-2:1506    79 LEU  HG          4.50    (#   1506:20  Single Ambig)
 &rst
  ixpk= 1506, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=  43,  44,1539,1540,  37,
 &end
#
#   15 PRO  HB-          62 LEU  HG          3.50    (#   1513:20  Unique         2.82, 4.07 A)
 &rst
  ixpk= 1513, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 220, 221,
 &end
#
#    0 AMB  20-2:1514    62 LEU  HG          3.50    (#   1514:20  Single Ambig)
 &rst
  ixpk= 1514, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 927, 928, 929, 220, 221,
 &end
#
#   79 LEU  HB+          79 LEU  HG          3.00    (#   1515:20  Unique         2.50, 2.79 A)
 &rst
  ixpk= 1515, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1167,1168,
 &end
#
#   79 LEU  MD2          79 LEU  HG          3.50    (#   1516:20  Unique         2.41, 2.66 A)
 &rst
  ixpk= 1516, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1176,1177,1178,
 &end
#
#  145 LEU  HB-         145 LEU  HG          3.50    (#   1523:20  Unique         2.33, 2.73 A)
 &rst
  ixpk= 1523, nxpk= 20, iat=  -1,2249, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2246,2247,
 &end
#
#   35 ARG  HD-          35 ARG  HG+         4.50    (#   1524:20  Unique         2.37, 2.68 A)
 &rst
  ixpk= 1524, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 530, 531,
 igr2= 527, 528,
 &end
#
#   60 ILE  HA           60 ILE  HG1-        5.50    (#   1526:20  Unique         2.44, 2.80 A)
 &rst
  ixpk= 1526, nxpk= 20, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 895, 896,
 &end
#
#   35 ARG  HD+          35 ARG  HG-         4.50    (#   1527:20  Unique         2.37, 2.68 A)
 &rst
  ixpk= 1527, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 530, 531,
 igr2= 527, 528,
 &end
#
#   35 ARG  HB+          35 ARG  HG-         3.50    (#   1528:20  Unique         2.19, 2.66 A)
 &rst
  ixpk= 1528, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 524, 525,
 igr2= 527, 528,
 &end
#
#    0 AMB  20-2:1529     0 AMB  20-1:1529   5.50    (#   1529:20  Double Ambig)
 &rst
  ixpk= 1529, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2274,2275, 530, 531,
 igr2= 448, 527, 528,
 &end
#
#   62 LEU  HB-          62 LEU  HG          4.50    (#   1532:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 1532, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 918, 919,
 &end
#
#   62 LEU  QD1          62 LEU  HG          3.50    (#   1533:20  Unique         2.44, 2.67 A)
 &rst
  ixpk= 1533, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 923, 924, 925,
 &end
#
#    0 AMB  20-2:1534    79 LEU  HG          3.50    (#   1534:20  Single Ambig)
 &rst
  ixpk= 1534, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1172,1173,1174,1207,1208,1209,
 &end
#
#  149 ARG  HA          149 ARG  HG+         4.50    (#   1535:20  Unique         2.30, 3.07 A)
 &rst
  ixpk= 1535, nxpk= 20, iat=2319,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2324,2325,
 &end
#
#  149 ARG  HD+         149 ARG  HG+         3.50    (#   1536:20  Unique         2.25, 2.68 A)
 &rst
  ixpk= 1536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2327,2328,
 igr2=2324,2325,
 &end
#
#    0 AMB  20-2:1537     0 AMB  20-1:1537   3.00    (#   1537:20  Double Ambig)
 &rst
  ixpk= 1537, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2321,2322,2246,2247,
 igr2=2324,2325,2324,2325,
 &end
#
#  149 ARG  HB-         149 ARG  HG+         3.00    (#   1538:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 1538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2321,2322,
 igr2=2324,2325,
 &end
#
#   60 ILE  HA           60 ILE  HG1+        5.50    (#   1540:20  Unique         2.44, 2.80 A)
 &rst
  ixpk= 1540, nxpk= 20, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 895, 896,
 &end
#
#    0 AMB  20-2:1542     0 AMB  20-1:1542   3.00    (#   1542:20  Double Ambig)
 &rst
  ixpk= 1542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=2251,2252,2253,2255,2256,2257,2104,2105,2106,2183,
      2184,2185,
 igr2=2249,2102,
 &end
#
#   68 PRO  HD+          68 PRO  HG+         3.00    (#   1543:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 1543, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1003,1004,
 igr2=1006,1007,
 &end
#
#   81 LEU  HB+          81 LEU  MD1         5.50    (#   1544:20  Unique         2.33, 3.09 A)
 &rst
  ixpk= 1544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1202,1203,
 igr2=1207,1208,1209,
 &end
#
#    0 AMB  20-2:1545    81 LEU  MD1         3.50    (#   1545:20  Single Ambig)
 &rst
  ixpk= 1545, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1613,1614,1615,1170,
 igr2=1207,1208,1209,
 &end
#
#  141 LEU  MD1          81 LEU  MD1         4.50    (#   1546:20  Unique         2.15, 4.17 A)
 &rst
  ixpk= 1546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=2183,2184,2185,
 igr2=1207,1208,1209,
 &end
#
#   81 LEU  HB-          81 LEU  MD1         4.50    (#   1547:20  Unique         2.33, 3.09 A)
 &rst
  ixpk= 1547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1202,1203,
 igr2=1207,1208,1209,
 &end
#
#    0 AMB  20-2:1548    81 LEU  MD1         5.50    (#   1548:20  Single Ambig)
 &rst
  ixpk= 1548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=  46,  47,  48,2108,2109,2110,
 igr2=1207,1208,1209,
 &end
#
#  141 LEU  HG           81 LEU  MD1         4.50    (#   1549:20  Unique         2.77, 4.02 A)
 &rst
  ixpk= 1549, nxpk= 20, iat=2181,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1207,1208,1209,
 &end
#
#    3 ILE  QG2          81 LEU  MD1         4.50    (#   1550:20  Unique         2.57, 4.19 A)
 &rst
  ixpk= 1550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  39,  40,  41,
 igr2=1207,1208,1209,
 &end
#
#    0 AMB  20-2:1551     0 AMB  20-1:1551   4.50    (#   1551:20  Double Ambig)
 &rst
  ixpk= 1551, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 559, 560, 561, 612, 613, 614,
 igr2=1006,1007,1006,1007,
 &end
#
#   68 PRO  HD-          68 PRO  HG+         3.50    (#   1552:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 1552, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1003,1004,
 igr2=1006,1007,
 &end
#
#   68 PRO  HB+          68 PRO  HG+         3.00    (#   1553:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 1553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1009,1010,
 igr2=1006,1007,
 &end
#
#   70 THR  MG2          68 PRO  HG+         4.50    (#   1554:20  Unique         2.67, 4.00 A)
 &rst
  ixpk= 1554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1041,1042,1043,
 igr2=1006,1007,
 &end
#
#  117 LEU  MD2         117 LEU  HG          3.00    (#   1555:20  Unique         2.38, 2.66 A)
 &rst
  ixpk= 1555, nxpk= 20, iat=  -1,1788, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1794,1795,1796,
 &end
#
#    0 AMB  20-2:1556   145 LEU  MD1         4.50    (#   1556:20  Single Ambig)
 &rst
  ixpk= 1556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2244,2176,
 igr2=2251,2252,2253,
 &end
#
#    0 AMB  20-2:1557     0 AMB  20-1:1557   3.00    (#   1557:20  Double Ambig)
 &rst
  ixpk= 1557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1=2249,2102,  15,  16,  17,
 igr2=2251,2252,2253,2104,2105,2106,
 &end
#
#   81 LEU  MD1         145 LEU  MD1         5.50    (#   1558:20  Unique         5.17, 7.52 A)
 &rst
  ixpk= 1558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1207,1208,1209,
 igr2=2251,2252,2253,
 &end
#
#  134 LEU  MD1         134 LEU  HG          3.00    (#   1559:20  Unique         2.42, 2.68 A)
 &rst
  ixpk= 1559, nxpk= 20, iat=  -1,2053, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=2055,2056,2057,
 &end
#
#   34 VAL  MG1          22 LYS  HG+         3.50    (#   1560:20  Unique         3.76, 4.97 A)
 &rst
  ixpk= 1560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 510, 511, 512,
 igr2= 325, 326,
 &end
#
#   97 ARG  HA           97 ARG  HG+         5.50    (#   1561:20  Unique         2.36, 2.76 A)
 &rst
  ixpk= 1561, nxpk= 20, iat=1453,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1458,1459,
 &end
#
#   97 ARG  HD+          97 ARG  HG+         3.00    (#   1562:20  Unique         2.34, 2.59 A)
 &rst
  ixpk= 1562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1461,1462,
 igr2=1458,1459,
 &end
#
#   97 ARG  HB+          97 ARG  HG+         3.00    (#   1563:20  Unique         2.40, 2.74 A)
 &rst
  ixpk= 1563, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1455,1456,
 igr2=1458,1459,
 &end
#
#   97 ARG  HA           97 ARG  HG-         3.50    (#   1564:20  Unique         2.36, 2.76 A)
 &rst
  ixpk= 1564, nxpk= 20, iat=1453,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1458,1459,
 &end
#
#   98 TYR  HB+          97 ARG  HG-         7.00    (#   1566:20  Unique         6.53, 7.30 A)
 &rst
  ixpk= 1566, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1479,1480,
 igr2=1458,1459,
 &end
#
#   99 ARG  HG+          97 ARG  HG-         4.50    (#   1567:20  Unique         2.98, 4.77 A)
 &rst
  ixpk= 1567, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1503,1504,
 igr2=1458,1459,
 &end
#
#    0 AMB  20-2:1571     0 AMB  20-1:1571   3.50    (#   1571:20  Double Ambig)
 &rst
  ixpk= 1571, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=2246,2247,1633,1634,
 igr2=2251,2252,2253,2104,2105,2106,
 &end
#
#  141 LEU  HG          145 LEU  MD1         5.50    (#   1572:20  Unique         4.27, 5.95 A)
 &rst
  ixpk= 1572, nxpk= 20, iat=2181,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2251,2252,2253,
 &end
#
#   34 VAL  MG1          22 LYS  HG-         5.50    (#   1573:20  Unique         3.76, 4.97 A)
 &rst
  ixpk= 1573, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 510, 511, 512,
 igr2= 325, 326,
 &end
#
#   22 LYS  HB+          22 LYS  HG+         3.50    (#   1574:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 1574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 322, 323,
 igr2= 325, 326,
 &end
#
#  117 LEU  HB+         117 LEU  HG          4.50    (#   1576:20  Unique         2.38, 2.81 A)
 &rst
  ixpk= 1576, nxpk= 20, iat=  -1,1788, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1785,1786,
 &end
#
#   97 ARG  HD+          97 ARG  HG-         3.50    (#   1578:20  Unique         2.34, 2.59 A)
 &rst
  ixpk= 1578, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1461,1462,
 igr2=1458,1459,
 &end
#
#   99 ARG  HD+          97 ARG  HG-         5.50    (#   1580:20  Unique         2.72, 4.43 A)
 &rst
  ixpk= 1580, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1506,1507,
 igr2=1458,1459,
 &end
#
#   22 LYS  HA           22 LYS  HG+         4.50    (#   1582:20  Unique         2.33, 2.63 A)
 &rst
  ixpk= 1582, nxpk= 20, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 325, 326,
 &end
#
#    3 ILE  QG2         141 LEU  HG          5.50    (#   1584:20  Unique         5.62, 6.74 A)
 &rst
  ixpk= 1584, nxpk= 20, iat=  -1,2181, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  39,  40,  41,
 &end
#
#   99 ARG  HA           99 ARG  HG+         3.50    (#   1585:20  Unique         2.45, 3.08 A)
 &rst
  ixpk= 1585, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1503,1504,
 &end
#
#    0 AMB  20-2:1586     0 AMB  20-1:1586   3.00    (#   1586:20  Double Ambig)
 &rst
  ixpk= 1586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1500,1501,1558,
 igr2=1503,1504,1503,1504,
 &end
#
#    0 AMB  20-2:1587   141 LEU  HG          5.50    (#   1587:20  Single Ambig)
 &rst
  ixpk= 1587, nxpk= 20, iat=  -1,2181, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=2116,2244,1606,
 &end
#
#  141 LEU  HB+         141 LEU  HG          4.50    (#   1588:20  Unique         2.41, 2.78 A)
 &rst
  ixpk= 1588, nxpk= 20, iat=  -1,2181, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2178,2179,
 &end
#
#  109 VAL  MG2         141 LEU  HG          5.50    (#   1590:20  Unique         2.59, 3.88 A)
 &rst
  ixpk= 1590, nxpk= 20, iat=  -1,2181, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1691,1692,1693,
 &end
#
#    0 AMB  20-2:1591   141 LEU  HG          4.50    (#   1591:20  Single Ambig)
 &rst
  ixpk= 1591, nxpk= 20, iat=  -1,2181, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1687,1688,1689,1613,1614,1615,
 &end
#
#    0 AMB  20-2:1592   141 LEU  HG          3.00    (#   1592:20  Single Ambig)
 &rst
  ixpk= 1592, nxpk= 20, iat=  -1,2181, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2183,2184,2185,2255,2256,2257,
 &end
#
#    0 AMB  20-2:1593   141 LEU  HG          5.50    (#   1593:20  Single Ambig)
 &rst
  ixpk= 1593, nxpk= 20, iat=  -1,2181, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2108,2109,2110,2127,2128,2129,
 &end
#
#   81 LEU  MD1         141 LEU  HG          3.50    (#   1594:20  Unique         2.77, 4.02 A)
 &rst
  ixpk= 1594, nxpk= 20, iat=  -1,2181, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1207,1208,1209,
 &end
#
#   99 ARG  HA           99 ARG  HG-         5.50    (#   1596:20  Unique         2.45, 3.08 A)
 &rst
  ixpk= 1596, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1503,1504,
 &end
#
#    0 AMB  20-2:1597    99 ARG  HG-         3.00    (#   1597:20  Single Ambig)
 &rst
  ixpk= 1597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1500,1501,1558,
 igr2=1503,1504,
 &end
#
#   62 LEU  HB+          62 LEU  QD1         4.50    (#   1599:20  Unique         2.32, 3.04 A)
 &rst
  ixpk= 1599, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 918, 919,
 igr2= 923, 924, 925,
 &end
#
#    0 AMB  20-2:1600    62 LEU  QD1         3.00    (#   1600:20  Single Ambig)
 &rst
  ixpk= 1600, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 690, 691, 692, 217, 218,
 igr2= 923, 924, 925,
 &end
#
#   99 ARG  HD+          99 ARG  HG+         3.50    (#   1601:20  Unique         2.21, 2.65 A)
 &rst
  ixpk= 1601, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1506,1507,
 igr2=1503,1504,
 &end
#
#   99 ARG  HD+          99 ARG  HG-         3.50    (#   1602:20  Unique         2.21, 2.65 A)
 &rst
  ixpk= 1602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1506,1507,
 igr2=1503,1504,
 &end
#
#    0 AMB  20-2:1603    62 LEU  QD1         5.50    (#   1603:20  Single Ambig)
 &rst
  ixpk= 1603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 799, 796, 797,
 igr2= 923, 924, 925,
 &end
#
#   51 ALA  MB           62 LEU  QD1         4.50    (#   1604:20  Unique         2.77, 3.90 A)
 &rst
  ixpk= 1604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 745, 746, 747,
 igr2= 923, 924, 925,
 &end
#
#    0 AMB  20-2:1605    62 LEU  QD1         3.00    (#   1605:20  Single Ambig)
 &rst
  ixpk= 1605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 220, 221, 761, 762, 763,
 igr2= 923, 924, 925,
 &end
#
#   16 MET  HG-          62 LEU  QD1         4.50    (#   1606:20  Unique         2.39, 3.30 A)
 &rst
  ixpk= 1606, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 234, 235,
 igr2= 923, 924, 925,
 &end
#
#   52 VAL  HA           62 LEU  QD1         4.50    (#   1607:20  Unique         2.36, 3.28 A)
 &rst
  ixpk= 1607, nxpk= 20, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 923, 924, 925,
 &end
#
#   68 PRO  HG+          73 LEU  MD2         5.50    (#   1608:20  Unique         6.44, 7.86 A)
 &rst
  ixpk= 1608, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1006,1007,
 igr2=1092,1093,1094,
 &end
#
#   69 LEU  HA           73 LEU  MD2         3.50    (#   1609:20  Unique         2.40, 3.58 A)
 &rst
  ixpk= 1609, nxpk= 20, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1092,1093,1094,
 &end
#
#    0 AMB  20-2:1610    73 LEU  MD2         3.00    (#   1610:20  Single Ambig)
 &rst
  ixpk= 1610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1086,1083,1084,
 igr2=1092,1093,1094,
 &end
#
#    4 ILE  HG1-         73 LEU  MD2         3.50    (#   1611:20  Unique         2.94, 4.85 A)
 &rst
  ixpk= 1611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  62,  63,
 igr2=1092,1093,1094,
 &end
#
#    0 AMB  20-2:1612    73 LEU  MD2         3.00    (#   1612:20  Single Ambig)
 &rst
  ixpk= 1612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 559, 560, 561,1083,1084,
 igr2=1092,1093,1094,
 &end
#
#    0 AMB  20-2:1614    73 LEU  MD2         3.00    (#   1614:20  Single Ambig)
 &rst
  ixpk= 1614, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=  58,  59,  60,  65,  66,  67,
 igr2=1092,1093,1094,
 &end
#
#   69 LEU  HB+          73 LEU  MD2         5.50    (#   1616:20  Unique         3.95, 5.69 A)
 &rst
  ixpk= 1616, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1020,1021,
 igr2=1092,1093,1094,
 &end
#
#    0 AMB  20-2:1618     0 AMB  20-1:1618   3.00    (#   1618:20  Double Ambig)
 &rst
  ixpk= 1618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1946,1947,2207,2208,2265,2266,
 igr2=1949,1950,2210,2211,2268,2269,
 &end
#
#   58 LYS  HB+          58 LYS  HG+         4.50    (#   1619:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 1619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 850, 851,
 igr2= 853, 854,
 &end
#
#    0 AMB  20-2:1620     0 AMB  20-1:1620   3.00    (#   1620:20  Double Ambig)
 &rst
  ixpk= 1620, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 856, 857, 850, 851,
 igr2= 853, 854, 853, 854,
 &end
#
#   58 LYS  HA           58 LYS  HG-         5.50    (#   1622:20  Unique         2.30, 2.72 A)
 &rst
  ixpk= 1622, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 853, 854,
 &end
#
#    0 AMB  20-2:1623    58 LYS  HG-         3.50    (#   1623:20  Single Ambig)
 &rst
  ixpk= 1623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 856, 857, 850, 851,
 igr2= 853, 854,
 &end
#
#   58 LYS  HB+          58 LYS  HG-         5.50    (#   1625:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 1625, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 850, 851,
 igr2= 853, 854,
 &end
#
#    0 AMB  20-2:1626     0 AMB  20-1:1626   3.50    (#   1626:20  Double Ambig)
 &rst
  ixpk= 1626, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2263,1966,2227,
 igr2=2268,2269,1949,1950,2210,2211,
 &end
#
#  143 LYS  HA            0 AMB  20-1:1627   3.50    (#   1627:20  Single Ambig)
 &rst
  ixpk= 1627, nxpk= 20, iat=2205,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=2210,2211,2268,2269,
 &end
#
#    0 AMB  20-2:1628     0 AMB  20-1:1628   3.50    (#   1628:20  Double Ambig)
 &rst
  ixpk= 1628, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1955,1956,2274,2275,
 igr2=1949,1950,2268,2269,
 &end
#
#   30 LEU  MD1         146 LYS  HG+         3.00    (#   1630:20  Unique         2.12, 3.92 A)
 &rst
  ixpk= 1630, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 450, 451, 452,
 igr2=2268,2269,
 &end
#
#    0 AMB  20-2:1631     0 AMB  20-1:1631   3.50    (#   1631:20  Double Ambig)
 &rst
  ixpk= 1631, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=2263,1966,
 igr2=2268,2269,1949,1950,
 &end
#
#    0 AMB  20-2:1633     0 AMB  20-1:1633   3.00    (#   1633:20  Double Ambig)
 &rst
  ixpk= 1633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1946,1947,2207,2208,2265,2266,
 igr2=1949,1950,2210,2211,2268,2269,
 &end
#
#  143 LYS  HA            0 AMB  20-1:1634   4.50    (#   1634:20  Single Ambig)
 &rst
  ixpk= 1634, nxpk= 20, iat=2205,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=2210,2211,2268,2269,
 &end
#
#   30 LEU  MD1         146 LYS  HG-         3.00    (#   1635:20  Unique         2.12, 3.92 A)
 &rst
  ixpk= 1635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 450, 451, 452,
 igr2=2268,2269,
 &end
#
#    0 AMB  20-2:1636     0 AMB  20-1:1636   3.00    (#   1636:20  Double Ambig)
 &rst
  ixpk= 1636, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=2296,2297, 677, 678,
 igr2=2290,2291, 671, 672,
 &end
#
#  130 THR  HA          117 LEU  MD1         4.50    (#   1637:20  Unique         3.20, 4.76 A)
 &rst
  ixpk= 1637, nxpk= 20, iat=1983,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1790,1791,1792,
 &end
#
#  129 GLN  HG+         117 LEU  MD1         5.50    (#   1638:20  Unique         3.92, 5.32 A)
 &rst
  ixpk= 1638, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1971,1972,
 igr2=1790,1791,1792,
 &end
#
#  129 GLN  HB+         117 LEU  MD1         3.50    (#   1639:20  Unique         2.37, 3.39 A)
 &rst
  ixpk= 1639, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1968,1969,
 igr2=1790,1791,1792,
 &end
#
#  117 LEU  HB+         117 LEU  MD1         3.50    (#   1640:20  Unique         2.35, 3.11 A)
 &rst
  ixpk= 1640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1785,1786,
 igr2=1790,1791,1792,
 &end
#
#  117 LEU  HB-         117 LEU  MD1         3.50    (#   1641:20  Unique         2.35, 3.11 A)
 &rst
  ixpk= 1641, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1785,1786,
 igr2=1790,1791,1792,
 &end
#
#  117 LEU  HG          117 LEU  MD1         3.00    (#   1642:20  Unique         2.44, 2.66 A)
 &rst
  ixpk= 1642, nxpk= 20, iat=1788,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1790,1791,1792,
 &end
#
#    0 AMB  20-2:1643   117 LEU  MD1         5.50    (#   1643:20  Single Ambig)
 &rst
  ixpk= 1643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1971,1972,2038,2039,
 igr2=1790,1791,1792,
 &end
#
#  147 LYS  HB+         147 LYS  HG+         3.00    (#   1644:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 1644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2287,2288,
 igr2=2290,2291,
 &end
#
#  147 LYS  HD+         147 LYS  HG+         3.00    (#   1645:20  Unique         2.37, 2.61 A)
 &rst
  ixpk= 1645, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=2293,2294,
 igr2=2290,2291,
 &end
#
#  117 LEU  HA          117 LEU  MD1         4.50    (#   1646:20  Unique         3.24, 4.50 A)
 &rst
  ixpk= 1646, nxpk= 20, iat=1783,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1790,1791,1792,
 &end
#
#  129 GLN  HB-         117 LEU  MD1         4.50    (#   1647:20  Unique         2.37, 3.39 A)
 &rst
  ixpk= 1647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1968,1969,
 igr2=1790,1791,1792,
 &end
#
#  126 ILE  QG2         117 LEU  MD1         4.50    (#   1648:20  Unique         2.67, 4.97 A)
 &rst
  ixpk= 1648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1908,1909,1910,
 igr2=1790,1791,1792,
 &end
#
#   14 SER  HA          105 LEU  MD1         7.00    (#   1653:20  Unique         6.24, 7.53 A)
 &rst
  ixpk= 1653, nxpk= 20, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1613,1614,1615,
 &end
#
#    0 AMB  20-2:1654   105 LEU  MD1         4.50    (#   1654:20  Single Ambig)
 &rst
  ixpk= 1654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1202,1203,1633,1634,
 igr2=1613,1614,1615,
 &end
#
#  105 LEU  HB-         105 LEU  MD1         3.50    (#   1655:20  Unique         2.36, 3.60 A)
 &rst
  ixpk= 1655, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1608,1609,
 igr2=1613,1614,1615,
 &end
#
#    0 AMB  20-2:1656   105 LEU  MD1         3.50    (#   1656:20  Single Ambig)
 &rst
  ixpk= 1656, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1691,1692,1693,1775,1776,1777,
 igr2=1613,1614,1615,
 &end
#
#  105 LEU  HG          105 LEU  MD1         3.00    (#   1657:20  Unique         2.41, 2.68 A)
 &rst
  ixpk= 1657, nxpk= 20, iat=1611,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1613,1614,1615,
 &end
#
#   81 LEU  MD1         105 LEU  MD1         3.50    (#   1659:20  Unique         2.70, 4.66 A)
 &rst
  ixpk= 1659, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1207,1208,1209,
 igr2=1613,1614,1615,
 &end
#
#   25 ALA  HA           30 LEU  MD1         4.50    (#   1660:20  Unique         2.94, 4.22 A)
 &rst
  ixpk= 1660, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 450, 451, 452,
 &end
#
#    0 AMB  20-2:1661     0 AMB  20-1:1661   3.00    (#   1661:20  Double Ambig)
 &rst
  ixpk= 1661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=2197,2198,2199, 445, 446, 856, 857, 889, 448,
 igr2= 450, 451, 452, 801, 802, 803,
 &end
#
#    0 AMB  20-2:1662     0 AMB  20-1:1662   4.50    (#   1662:20  Double Ambig)
 &rst
  ixpk= 1662, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=2244, 848, 906,
 igr2= 450, 451, 452, 801, 802, 803,
 &end
#
#  101 LYS  HB-         101 LYS  HG-         4.50    (#   1666:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 1666, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1536,1537,
 igr2=1539,1540,
 &end
#
#  101 LYS  HB+         101 LYS  HG-         5.50    (#   1667:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 1667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1536,1537,
 igr2=1539,1540,
 &end
#
#    0 AMB  20-2:1669   105 LEU  MD1         4.50    (#   1669:20  Single Ambig)
 &rst
  ixpk= 1669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1238,1239,1240,1234,1235,
 igr2=1613,1614,1615,
 &end
#
#  105 LEU  HB+         105 LEU  MD1         4.50    (#   1670:20  Unique         2.36, 3.60 A)
 &rst
  ixpk= 1670, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1608,1609,
 igr2=1613,1614,1615,
 &end
#
#  137 LEU  MD2         105 LEU  MD1         3.00    (#   1671:20  Unique         2.25, 3.52 A)
 &rst
  ixpk= 1671, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=2108,2109,2110,
 igr2=1613,1614,1615,
 &end
#
#   81 LEU  HG          105 LEU  MD1         4.50    (#   1672:20  Unique         4.82, 5.56 A)
 &rst
  ixpk= 1672, nxpk= 20, iat=1205,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1613,1614,1615,
 &end
#
#  141 LEU  HG          105 LEU  MD1         5.50    (#   1673:20  Unique         4.85, 6.20 A)
 &rst
  ixpk= 1673, nxpk= 20, iat=2181,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1613,1614,1615,
 &end
#
#   30 LEU  HA           30 LEU  MD1         4.50    (#   1674:20  Unique         4.21, 4.51 A)
 &rst
  ixpk= 1674, nxpk= 20, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 450, 451, 452,
 &end
#
#    0 AMB  20-2:1675     0 AMB  20-1:1675   3.00    (#   1675:20  Double Ambig)
 &rst
  ixpk= 1675, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 794,2195,
 igr2= 801, 802, 803, 450, 451, 452,
 &end
#
#  146 LYS  HE+          30 LEU  MD1         4.50    (#   1676:20  Unique         2.66, 4.88 A)
 &rst
  ixpk= 1676, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2274,2275,
 igr2= 450, 451, 452,
 &end
#
#   28 GLU  HG+          30 LEU  MD1         4.50    (#   1677:20  Unique         2.33, 4.47 A)
 &rst
  ixpk= 1677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 426, 427,
 igr2= 450, 451, 452,
 &end
#
#  145 LEU  HB+          30 LEU  MD1         3.00    (#   1678:20  Unique         2.20, 3.69 A)
 &rst
  ixpk= 1678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2246,2247,
 igr2= 450, 451, 452,
 &end
#
#    0 AMB  20-2:1679     0 AMB  20-1:1679   3.00    (#   1679:20  Double Ambig)
 &rst
  ixpk= 1679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=2268,2269, 856, 857, 850, 851,
 igr2= 450, 451, 452, 801, 802, 803,
 &end
#
#   58 LYS  HG-          55 LEU  MD1         4.50    (#   1680:20  Unique         3.94, 5.39 A)
 &rst
  ixpk= 1680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 853, 854,
 igr2= 801, 802, 803,
 &end
#
#  131 ARG  QD           55 LEU  MD1         5.50    (#   1681:20  Unique         4.17, 6.07 A)
 &rst
  ixpk= 1681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2005,2006,
 igr2= 801, 802, 803,
 &end
#
#   28 GLU  HG-          30 LEU  MD1         3.00    (#   1682:20  Unique         2.33, 4.47 A)
 &rst
  ixpk= 1682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 426, 427,
 igr2= 450, 451, 452,
 &end
#
#    0 AMB  20-2:1683    55 LEU  MD1         3.00    (#   1683:20  Single Ambig)
 &rst
  ixpk= 1683, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 796, 797, 231, 232,
 igr2= 801, 802, 803,
 &end
#
#   46 LYS  HB+          46 LYS  HG+         3.00    (#   1684:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 668, 669,
 igr2= 671, 672,
 &end
#
#  102 VAL  MG2         101 LYS  HG-         4.50    (#   1685:20  Unique         3.39, 6.03 A)
 &rst
  ixpk= 1685, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1564,1565,1566,
 igr2=1539,1540,
 &end
#
#   62 LEU  HA           62 LEU  QD2         4.50    (#   1686:20  Unique         2.73, 3.81 A)
 &rst
  ixpk= 1686, nxpk= 20, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 927, 928, 929,
 &end
#
#   64 HIS  HB+          62 LEU  QD2         5.50    (#   1687:20  Unique         2.15, 3.06 A)
 &rst
  ixpk= 1687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 951, 952,
 igr2= 927, 928, 929,
 &end
#
#   64 HIS  HB-          62 LEU  QD2         5.50    (#   1688:20  Unique         2.15, 3.06 A)
 &rst
  ixpk= 1688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 951, 952,
 igr2= 927, 928, 929,
 &end
#
#    0 AMB  20-2:1689     0 AMB  20-1:1689   4.50    (#   1689:20  Double Ambig)
 &rst
  ixpk= 1689, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1608,1609, 799, 796, 797,
 igr2=2108,2109,2110, 927, 928, 929,
 &end
#
#   62 LEU  HG           62 LEU  QD2         3.00    (#   1690:20  Unique         2.32, 2.66 A)
 &rst
  ixpk= 1690, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 927, 928, 929,
 &end
#
#   65 VAL  HA           62 LEU  QD2         7.00    (#   1691:20  Unique         6.79, 7.19 A)
 &rst
  ixpk= 1691, nxpk= 20, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 927, 928, 929,
 &end
#
#  134 LEU  HA          134 LEU  MD1         3.50    (#   1692:20  Unique         2.18, 3.04 A)
 &rst
  ixpk= 1692, nxpk= 20, iat=2048,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2055,2056,2057,
 &end
#
#  134 LEU  HB+         134 LEU  MD1         4.50    (#   1693:20  Unique         2.34, 3.51 A)
 &rst
  ixpk= 1693, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2050,2051,
 igr2=2055,2056,2057,
 &end
#
#    0 AMB  20-2:1694   134 LEU  MD1         3.50    (#   1694:20  Single Ambig)
 &rst
  ixpk= 1694, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1238,1239,1240,2102,2038,2039,1234,1235,
 igr2=2055,2056,2057,
 &end
#
#    0 AMB  20-2:1695   134 LEU  MD1         3.00    (#   1695:20  Single Ambig)
 &rst
  ixpk= 1695, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2053,1769,
 igr2=2055,2056,2057,
 &end
#
#  116 VAL  MG2         134 LEU  MD1         4.00    (#   1696:20  Unique         2.16, 4.02 A)
 &rst
  ixpk= 1696, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1775,1776,1777,
 igr2=2055,2056,2057,
 &end
#
#  116 VAL  MG1         134 LEU  MD1         4.00    (#   1697:20  Unique         2.40, 4.62 A)
 &rst
  ixpk= 1697, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1771,1772,1773,
 igr2=2055,2056,2057,
 &end
#
#   17 ALA  MB          134 LEU  MD1         3.50    (#   1698:20  Unique         2.30, 4.34 A)
 &rst
  ixpk= 1698, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 248, 249, 250,
 igr2=2055,2056,2057,
 &end
#
#    0 AMB  20-2:1699     0 AMB  20-1:1699   4.50    (#   1699:20  Double Ambig)
 &rst
  ixpk= 1699, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2048, 229,
 igr2=2108,2109,2110, 927, 928, 929,
 &end
#
#    0 AMB  20-2:1700     0 AMB  20-1:1700   3.00    (#   1700:20  Double Ambig)
 &rst
  ixpk= 1700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 220, 221,1613,1614,1615, 761, 762, 763,
 igr2= 927, 928, 929,2108,2109,2110,
 &end
#
#    0 AMB  20-2:1701   137 LEU  MD2         3.50    (#   1701:20  Single Ambig)
 &rst
  ixpk= 1701, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1606,2116,
 igr2=2108,2109,2110,
 &end
#
#   15 PRO  HD+          62 LEU  QD2         5.50    (#   1702:20  Unique         5.06, 6.44 A)
 &rst
  ixpk= 1702, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 214, 215,
 igr2= 927, 928, 929,
 &end
#
#   13 ARG  HD-         137 LEU  MD2         5.50    (#   1703:20  Unique         5.93, 7.28 A)
 &rst
  ixpk= 1703, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 188, 189,
 igr2=2108,2109,2110,
 &end
#
#    0 AMB  20-2:1704     0 AMB  20-1:1704   4.50    (#   1704:20  Double Ambig)
 &rst
  ixpk= 1704, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=2178,2179, 258, 259,2161,2162,
 igr2=2108,2109,2110, 927, 928, 929,
 &end
#
#  137 LEU  HG          137 LEU  MD2         3.00    (#   1705:20  Unique         2.37, 2.63 A)
 &rst
  ixpk= 1705, nxpk= 20, iat=2102,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=2108,2109,2110,
 &end
#
#  106 LYS  HD-         137 LEU  MD2         4.50    (#   1706:20  Unique         3.12, 4.97 A)
 &rst
  ixpk= 1706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1633,1634,
 igr2=2108,2109,2110,
 &end
#
#   81 LEU  MD1         137 LEU  MD2         4.50    (#   1707:20  Unique         5.51, 6.90 A)
 &rst
  ixpk= 1707, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1207,1208,1209,
 igr2=2108,2109,2110,
 &end
#
#  141 LEU  HG          137 LEU  MD2         5.50    (#   1708:20  Unique         5.88, 6.63 A)
 &rst
  ixpk= 1708, nxpk= 20, iat=2181,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2108,2109,2110,
 &end
#
#    1 MET  HE           79 LEU  MD1         4.50    (#   1709:20  Unique         2.72, 4.90 A)
 &rst
  ixpk= 1709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  15,  16,  17,
 igr2=1172,1173,1174,
 &end
#
#    0 AMB  20-2:1710    79 LEU  MD1         5.50    (#   1710:20  Single Ambig)
 &rst
  ixpk= 1710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1539,1540,  43,  44,
 igr2=1172,1173,1174,
 &end
#
#   79 LEU  HB+          79 LEU  MD1         3.00    (#   1711:20  Unique         2.43, 3.52 A)
 &rst
  ixpk= 1711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1167,1168,
 igr2=1172,1173,1174,
 &end
#
#   79 LEU  HG           79 LEU  MD1         3.00    (#   1712:20  Unique         2.46, 2.67 A)
 &rst
  ixpk= 1712, nxpk= 20, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1172,1173,1174,
 &end
#
#  145 LEU  MD2          79 LEU  MD1         4.50    (#   1713:20  Unique         5.21, 6.74 A)
 &rst
  ixpk= 1713, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=2255,2256,2257,
 igr2=1172,1173,1174,
 &end
#
#    3 ILE  QG2          79 LEU  MD1         4.50    (#   1715:20  Unique         4.80, 6.12 A)
 &rst
  ixpk= 1715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  39,  40,  41,
 igr2=1172,1173,1174,
 &end
#
#  105 LEU  HA           81 LEU  HG          4.50    (#   1716:20  Unique         4.38, 4.48 A)
 &rst
  ixpk= 1716, nxpk= 20, iat=1606,1205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103 PHE  HB+          81 LEU  HG          5.50    (#   1717:20  Unique         2.83, 3.69 A)
 &rst
  ixpk= 1717, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1574,1575,
 &end
#
#  108 TYR  HB+          81 LEU  HG          3.50    (#   1718:20  Unique         3.25, 3.70 A)
 &rst
  ixpk= 1718, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1664,1665,
 &end
#
#  103 PHE  HB-          81 LEU  HG          4.50    (#   1719:20  Unique         2.83, 3.69 A)
 &rst
  ixpk= 1719, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1574,1575,
 &end
#
#   81 LEU  HB+          81 LEU  HG          4.50    (#   1720:20  Unique         2.52, 2.82 A)
 &rst
  ixpk= 1720, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1202,1203,
 &end
#
#    0 AMB  20-2:1721    81 LEU  HG          5.50    (#   1721:20  Single Ambig)
 &rst
  ixpk= 1721, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1608,1609,  43,  44,1221,1222,1223,
 &end
#
#    0 AMB  20-2:1722    81 LEU  HG          5.50    (#   1722:20  Single Ambig)
 &rst
  ixpk= 1722, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1167,1168,1691,1692,1693,
 &end
#
#    0 AMB  20-2:1723    81 LEU  HG          4.50    (#   1723:20  Single Ambig)
 &rst
  ixpk= 1723, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1170,1613,1614,1615,
 &end
#
#   81 LEU  HB-          81 LEU  HG          3.50    (#   1724:20  Unique         2.52, 2.82 A)
 &rst
  ixpk= 1724, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1202,1203,
 &end
#
#    0 AMB  20-2:1725    81 LEU  HG          5.50    (#   1725:20  Single Ambig)
 &rst
  ixpk= 1725, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  46,  47,  48,1188,1189,1190,  97,  98,  99,
 &end
#
#    3 ILE  QG2          81 LEU  HG          5.50    (#   1726:20  Unique         4.30, 4.92 A)
 &rst
  ixpk= 1726, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  39,  40,  41,
 &end
#
#    0 AMB  20-2:1727   117 LEU  MD2         4.50    (#   1727:20  Single Ambig)
 &rst
  ixpk= 1727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1985,1783,
 igr2=1794,1795,1796,
 &end
#
#   18 GLU  HA           34 VAL  MG2         3.50    (#   1728:20  Unique         2.32, 3.31 A)
 &rst
  ixpk= 1728, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 514, 515, 516,
 &end
#
#    0 AMB  20-2:1729    34 VAL  MG2         4.50    (#   1729:20  Single Ambig)
 &rst
  ixpk= 1729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 331, 332, 302, 303,
 igr2= 514, 515, 516,
 &end
#
#   18 GLU  HB+          34 VAL  MG2         5.50    (#   1730:20  Unique         2.77, 4.67 A)
 &rst
  ixpk= 1730, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 258, 259,
 igr2= 514, 515, 516,
 &end
#
#    0 AMB  20-2:1731    34 VAL  MG2         3.00    (#   1731:20  Single Ambig)
 &rst
  ixpk= 1731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 261, 262, 508,
 igr2= 514, 515, 516,
 &end
#
#    0 AMB  20-2:1732    34 VAL  MG2         3.50    (#   1732:20  Single Ambig)
 &rst
  ixpk= 1732, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 258, 259, 322, 323,
 igr2= 514, 515, 516,
 &end
#
#    0 AMB  20-2:1733    34 VAL  MG2         3.50    (#   1733:20  Single Ambig)
 &rst
  ixpk= 1733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 325, 326, 328, 329,
 igr2= 514, 515, 516,
 &end
#
#    3 ILE  QD1          34 VAL  MG2         5.50    (#   1735:20  Unique         4.78, 6.70 A)
 &rst
  ixpk= 1735, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  46,  47,  48,
 igr2= 514, 515, 516,
 &end
#
#    3 ILE  QG2          34 VAL  MG2         5.50    (#   1736:20  Unique         6.01, 7.23 A)
 &rst
  ixpk= 1736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  39,  40,  41,
 igr2= 514, 515, 516,
 &end
#
#  106 LYS  HA          109 VAL  MG2         5.50    (#   1738:20  Unique         3.66, 4.74 A)
 &rst
  ixpk= 1738, nxpk= 20, iat=1625,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1691,1692,1693,
 &end
#
#    0 AMB  20-2:1739   109 VAL  MG2         5.50    (#   1739:20  Single Ambig)
 &rst
  ixpk= 1739, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2232,2233,2229,2230,
 igr2=1691,1692,1693,
 &end
#
#   81 LEU  HG          109 VAL  MG2         5.50    (#   1740:20  Unique         5.81, 6.63 A)
 &rst
  ixpk= 1740, nxpk= 20, iat=1205,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1691,1692,1693,
 &end
#
#   81 LEU  MD1         109 VAL  MG2         5.50    (#   1741:20  Unique         4.04, 5.65 A)
 &rst
  ixpk= 1741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1207,1208,1209,
 igr2=1691,1692,1693,
 &end
#
#   32 VAL  MG2          34 VAL  MG2         4.50    (#   1742:20  Unique         3.78, 5.64 A)
 &rst
  ixpk= 1742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 484, 485, 486,
 igr2= 514, 515, 516,
 &end
#
#  109 VAL  HA          109 VAL  MG2         3.00    (#   1743:20  Unique         2.52, 3.23 A)
 &rst
  ixpk= 1743, nxpk= 20, iat=1683,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1691,1692,1693,
 &end
#
#    0 AMB  20-2:1744   109 VAL  MG2         4.50    (#   1744:20  Single Ambig)
 &rst
  ixpk= 1744, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2097,2159,
 igr2=1691,1692,1693,
 &end
#
#  108 TYR  HB+         109 VAL  MG2         5.50    (#   1745:20  Unique         2.45, 4.22 A)
 &rst
  ixpk= 1745, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1664,1665,
 igr2=1691,1692,1693,
 &end
#
#    0 AMB  20-2:1746   109 VAL  MG2         4.50    (#   1746:20  Single Ambig)
 &rst
  ixpk= 1746, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2178,2179,2161,2162,
 igr2=1691,1692,1693,
 &end
#
#  109 VAL  HB          109 VAL  MG2         3.00    (#   1747:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1747, nxpk= 20, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1691,1692,1693,
 &end
#
#    0 AMB  20-2:1748   109 VAL  MG2         4.50    (#   1748:20  Single Ambig)
 &rst
  ixpk= 1748, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1633,1634,1202,1203,
 igr2=1691,1692,1693,
 &end
#
#  141 LEU  HB-         109 VAL  MG2         4.50    (#   1749:20  Unique         2.63, 5.04 A)
 &rst
  ixpk= 1749, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2178,2179,
 igr2=1691,1692,1693,
 &end
#
#    0 AMB  20-2:1751   109 VAL  MG2         3.00    (#   1751:20  Single Ambig)
 &rst
  ixpk= 1751, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2183,2184,2185,2104,2105,2106,
 igr2=1691,1692,1693,
 &end
#
#  137 LEU  MD2         109 VAL  MG2         5.50    (#   1752:20  Unique         2.80, 4.54 A)
 &rst
  ixpk= 1752, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=2108,2109,2110,
 igr2=1691,1692,1693,
 &end
#
#  141 LEU  HG          109 VAL  MG2         5.50    (#   1753:20  Unique         2.59, 3.88 A)
 &rst
  ixpk= 1753, nxpk= 20, iat=2181,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1691,1692,1693,
 &end
#
#  137 LEU  HG          141 LEU  MD1         3.50    (#   1756:20  Unique         2.53, 3.71 A)
 &rst
  ixpk= 1756, nxpk= 20, iat=2102,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2183,2184,2185,
 &end
#
#    0 AMB  20-2:1758    79 LEU  MD2         5.50    (#   1758:20  Single Ambig)
 &rst
  ixpk= 1758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1574,1575,  11,  12,
 igr2=1176,1177,1178,
 &end
#
#    1 MET  HE           79 LEU  MD2         4.50    (#   1759:20  Unique         2.28, 3.69 A)
 &rst
  ixpk= 1759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  15,  16,  17,
 igr2=1176,1177,1178,
 &end
#
#    3 ILE  HG1-         79 LEU  MD2         5.50    (#   1760:20  Unique         2.34, 4.23 A)
 &rst
  ixpk= 1760, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  43,  44,
 igr2=1176,1177,1178,
 &end
#
#   79 LEU  HB+          79 LEU  MD2         3.50    (#   1761:20  Unique         2.42, 3.13 A)
 &rst
  ixpk= 1761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1167,1168,
 igr2=1176,1177,1178,
 &end
#
#   79 LEU  HG           79 LEU  MD2         3.00    (#   1762:20  Unique         2.41, 2.66 A)
 &rst
  ixpk= 1762, nxpk= 20, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1176,1177,1178,
 &end
#
#    0 AMB  20-2:1763    79 LEU  MD2         3.50    (#   1763:20  Single Ambig)
 &rst
  ixpk= 1763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=2255,2256,2257,2251,2252,2253,2183,2184,2185,
 igr2=1176,1177,1178,
 &end
#
#   81 LEU  HB-          79 LEU  MD2         4.80    (#   1764:20  Unique         3.84, 5.40 A)
 &rst
  ixpk= 1764, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1=1202,1203,
 igr2=1176,1177,1178,
 &end
#
#    3 ILE  QG2          79 LEU  MD2         5.50    (#   1767:20  Unique         2.24, 4.00 A)
 &rst
  ixpk= 1767, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  39,  40,  41,
 igr2=1176,1177,1178,
 &end
#
#    7 CYS  HA            8 THR  MG2         5.50    (#   1770:20  Unique         4.26, 5.65 A)
 &rst
  ixpk= 1770, nxpk= 20, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 124, 125, 126,
 &end
#
#   40 PHE  HB+           8 THR  MG2         4.50    (#   1771:20  Unique         2.42, 5.55 A)
 &rst
  ixpk= 1771, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 592, 593,
 igr2= 124, 125, 126,
 &end
#
#   40 PHE  HB-           8 THR  MG2         4.50    (#   1772:20  Unique         2.42, 5.55 A)
 &rst
  ixpk= 1772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 592, 593,
 igr2= 124, 125, 126,
 &end
#
#   39 VAL  HB            8 THR  MG2         4.50    (#   1773:20  Unique         2.45, 4.29 A)
 &rst
  ixpk= 1773, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 124, 125, 126,
 &end
#
#    0 AMB  20-2:1774     8 THR  MG2         4.50    (#   1774:20  Single Ambig)
 &rst
  ixpk= 1774, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1354,1355,1356, 101, 102, 103,
 igr2= 124, 125, 126,
 &end
#
#   39 VAL  MG1           8 THR  MG2         4.50    (#   1775:20  Unique         3.69, 5.96 A)
 &rst
  ixpk= 1775, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 578, 579, 580,
 igr2= 124, 125, 126,
 &end
#
#   83 MET  HB+           6 VAL  MG2         5.50    (#   1776:20  Unique         5.40, 7.58 A)
 &rst
  ixpk= 1776, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1231,1232,
 igr2= 101, 102, 103,
 &end
#
#    0 AMB  20-2:1777     0 AMB  20-1:1777   3.00    (#   1777:20  Double Ambig)
 &rst
  ixpk= 1777, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=1613,1614,1615, 559, 560, 561,1687,1688,1689,
 igr2=2183,2184,2185, 101, 102, 103,
 &end
#
#    0 AMB  20-2:1778   141 LEU  MD1         5.50    (#   1778:20  Single Ambig)
 &rst
  ixpk= 1778, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2232,2233,2229,2230,
 igr2=2183,2184,2185,
 &end
#
#    0 AMB  20-2:1779     6 VAL  MG2         5.50    (#   1779:20  Single Ambig)
 &rst
  ixpk= 1779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 576,1371,
 igr2= 101, 102, 103,
 &end
#
#    0 AMB  20-2:1780     0 AMB  20-1:1780   3.00    (#   1780:20  Double Ambig)
 &rst
  ixpk= 1780, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=2176, 109,
 igr2=2183,2184,2185, 101, 102, 103,
 &end
#
#  141 LEU  HB+         141 LEU  MD1         3.00    (#   1781:20  Unique         2.20, 3.32 A)
 &rst
  ixpk= 1781, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2178,2179,
 igr2=2183,2184,2185,
 &end
#
#   81 LEU  MD1         141 LEU  MD1         3.50    (#   1782:20  Unique         2.15, 4.17 A)
 &rst
  ixpk= 1782, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1207,1208,1209,
 igr2=2183,2184,2185,
 &end
#
#    0 AMB  20-2:1783    73 LEU  MD1         3.00    (#   1783:20  Single Ambig)
 &rst
  ixpk= 1783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1081,1134,1135,
 igr2=1088,1089,1090,
 &end
#
#   35 ARG  HD-          73 LEU  MD1         5.50    (#   1784:20  Unique         2.23, 3.92 A)
 &rst
  ixpk= 1784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 530, 531,
 igr2=1088,1089,1090,
 &end
#
#    0 AMB  20-2:1785     6 VAL  MG1         5.50    (#   1785:20  Single Ambig)
 &rst
  ixpk= 1785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=1234,1235,1238,1239,1240,
 igr2=  97,  98,  99,
 &end
#
#    0 AMB  20-2:1786    73 LEU  MD1         3.00    (#   1786:20  Single Ambig)
 &rst
  ixpk= 1786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1086,1083,1084,
 igr2=1088,1089,1090,
 &end
#
#   73 LEU  HB-          73 LEU  MD1         3.00    (#   1787:20  Unique         2.51, 3.59 A)
 &rst
  ixpk= 1787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1083,1084,
 igr2=1088,1089,1090,
 &end
#
#    0 AMB  20-2:1789    73 LEU  MD1         3.00    (#   1789:20  Single Ambig)
 &rst
  ixpk= 1789, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=  65,  66,  67,  58,  59,  60,
 igr2=1088,1089,1090,
 &end
#
#    0 AMB  20-2:1790     0 AMB  20-1:1790   3.00    (#   1790:20  Double Ambig)
 &rst
  ixpk= 1790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2178,2179,  95,
 igr2=2183,2184,2185, 101, 102, 103,
 &end
#
#  141 LEU  HG          141 LEU  MD1         3.00    (#   1791:20  Unique         2.39, 2.64 A)
 &rst
  ixpk= 1791, nxpk= 20, iat=2181,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=2183,2184,2185,
 &end
#
#    0 AMB  20-2:1792    20 LEU  QD1         3.50    (#   1792:20  Single Ambig)
 &rst
  ixpk= 1792, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 856, 857,2002,2003,
 igr2= 288, 289, 290,
 &end
#
#   35 ARG  HD+          73 LEU  MD1         5.50    (#   1793:20  Unique         2.23, 3.92 A)
 &rst
  ixpk= 1793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 530, 531,
 igr2=1088,1089,1090,
 &end
#
#    0 AMB  20-2:1794    73 LEU  MD1         4.50    (#   1794:20  Single Ambig)
 &rst
  ixpk= 1794, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 527, 528, 524, 525,
 igr2=1088,1089,1090,
 &end
#
#   20 LEU  HA           20 LEU  QD1         4.50    (#   1796:20  Unique         4.25, 4.60 A)
 &rst
  ixpk= 1796, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 288, 289, 290,
 &end
#
#    0 AMB  20-2:1797    20 LEU  QD1         5.50    (#   1797:20  Single Ambig)
 &rst
  ixpk= 1797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2067,1997,
 igr2= 288, 289, 290,
 &end
#
#    0 AMB  20-2:1798    20 LEU  QD1         3.50    (#   1798:20  Single Ambig)
 &rst
  ixpk= 1798, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2069,2070,2050,2051,2072,2073,
 igr2= 288, 289, 290,
 &end
#
#  131 ARG  HB-          20 LEU  QD1         3.00    (#   1799:20  Unique         2.88, 4.68 A)
 &rst
  ixpk= 1799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1999,2000,
 igr2= 288, 289, 290,
 &end
#
#    0 AMB  20-2:1800    48 THR  MG2         3.50    (#   1800:20  Single Ambig)
 &rst
  ixpk= 1800, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 700, 698,
 igr2= 702, 703, 704,
 &end
#
#   49 PRO  HD3          48 THR  MG2         4.50    (#   1801:20  Unique         4.23, 5.09 A)
 &rst
  ixpk= 1801, nxpk= 20, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 702, 703, 704,
 &end
#
#    0 AMB  20-2:1802    34 VAL  MG1         4.50    (#   1802:20  Single Ambig)
 &rst
  ixpk= 1802, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 256, 320,
 igr2= 510, 511, 512,
 &end
#
#   21 PHE  HB-          34 VAL  MG1         5.50    (#   1803:20  Unique         2.77, 4.68 A)
 &rst
  ixpk= 1803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 302, 303,
 igr2= 510, 511, 512,
 &end
#
#   32 VAL  HB           34 VAL  MG1         3.50    (#   1804:20  Unique         2.78, 3.55 A)
 &rst
  ixpk= 1804, nxpk= 20, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 510, 511, 512,
 &end
#
#    0 AMB  20-2:1805    34 VAL  MG1         3.50    (#   1805:20  Single Ambig)
 &rst
  ixpk= 1805, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 325, 326, 328, 329,
 igr2= 510, 511, 512,
 &end
#
#   32 VAL  MG1          34 VAL  MG1         3.50    (#   1807:20  Unique         4.23, 5.31 A)
 &rst
  ixpk= 1807, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 480, 481, 482,
 igr2= 510, 511, 512,
 &end
#
#    3 ILE  QG2          34 VAL  MG1         5.50    (#   1808:20  Unique         4.18, 5.36 A)
 &rst
  ixpk= 1808, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  39,  40,  41,
 igr2= 510, 511, 512,
 &end
#
#   11 THR  MG2          48 THR  MG2         3.50    (#   1809:20  Unique         3.10, 5.14 A)
 &rst
  ixpk= 1809, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 159, 160, 161,
 igr2= 702, 703, 704,
 &end
#
#   22 LYS  HG+          34 VAL  MG1         3.50    (#   1810:20  Unique         3.76, 4.97 A)
 &rst
  ixpk= 1810, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 325, 326,
 igr2= 510, 511, 512,
 &end
#
#   69 LEU  HA           69 LEU  MD1         3.50    (#   1811:20  Unique         2.34, 2.93 A)
 &rst
  ixpk= 1811, nxpk= 20, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1025,1026,1027,
 &end
#
#    0 AMB  20-2:1812    69 LEU  MD1         3.00    (#   1812:20  Single Ambig)
 &rst
  ixpk= 1812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1023,1083,1084,
 igr2=1025,1026,1027,
 &end
#
#    0 AMB  20-2:1813     0 AMB  20-1:1813   3.00    (#   1813:20  Double Ambig)
 &rst
  ixpk= 1813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 508,1685,
 igr2= 510, 511, 512,1687,1688,1689,
 &end
#
#    0 AMB  20-2:1814    39 VAL  MG2         3.50    (#   1814:20  Single Ambig)
 &rst
  ixpk= 1814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 120, 574,
 igr2= 582, 583, 584,
 &end
#
#    0 AMB  20-2:1815    39 VAL  MG2         3.00    (#   1815:20  Single Ambig)
 &rst
  ixpk= 1815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 576,1020,1021,
 igr2= 582, 583, 584,
 &end
#
#    0 AMB  20-2:1816     0 AMB  20-1:1816   5.50    (#   1816:20  Double Ambig)
 &rst
  ixpk= 1816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1369,1311,
 igr2= 582, 583, 584,  97,  98,  99,
 &end
#
#   82 ALA  MB            6 VAL  MG1         3.50    (#   1818:20  Unique         2.55, 4.24 A)
 &rst
  ixpk= 1818, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1221,1222,1223,
 igr2=  97,  98,  99,
 &end
#
#    0 AMB  20-2:1819     0 AMB  20-1:1819   5.50    (#   1819:20  Double Ambig)
 &rst
  ixpk= 1819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 559, 560, 561,1023,
 igr2=  97,  98,  99, 582, 583, 584,
 &end
#
#    6 VAL  HB            6 VAL  MG1         3.00    (#   1820:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 1820, nxpk= 20, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=  97,  98,  99,
 &end
#
#   69 LEU  HB+          69 LEU  MD1         4.50    (#   1821:20  Unique         2.67, 3.66 A)
 &rst
  ixpk= 1821, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1020,1021,
 igr2=1025,1026,1027,
 &end
#
#    0 AMB  20-2:1822    69 LEU  MD1         3.50    (#   1822:20  Single Ambig)
 &rst
  ixpk= 1822, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1083,1084,1109,1110,1111,
 igr2=1025,1026,1027,
 &end
#
#    0 AMB  20-2:1823    69 LEU  MD1         3.00    (#   1823:20  Single Ambig)
 &rst
  ixpk= 1823, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1092,1093,1094,1020,1021,
 igr2=1025,1026,1027,
 &end
#
#    0 AMB  20-2:1825   109 VAL  MG1         3.00    (#   1825:20  Single Ambig)
 &rst
  ixpk= 1825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1683,2176,
 igr2=1687,1688,1689,
 &end
#
#    0 AMB  20-2:1826   109 VAL  MG1         4.50    (#   1826:20  Single Ambig)
 &rst
  ixpk= 1826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2164,2165,1636,1637,
 igr2=1687,1688,1689,
 &end
#
#    0 AMB  20-2:1828     0 AMB  20-1:1828   3.00    (#   1828:20  Double Ambig)
 &rst
  ixpk= 1828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=1092,1093,1094,2104,2105,2106, 101, 102, 103,
 igr2= 559, 560, 561,1687,1688,1689,
 &end
#
#   69 LEU  HA           37 ALA  MB          3.00    (#   1829:20  Unique         2.44, 3.12 A)
 &rst
  ixpk= 1829, nxpk= 20, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 559, 560, 561,
 &end
#
#    0 AMB  20-2:1830    37 ALA  MB          3.00    (#   1830:20  Single Ambig)
 &rst
  ixpk= 1830, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=  58,  59,  60,1025,1026,1027,
 igr2= 559, 560, 561,
 &end
#
#    0 AMB  20-2:1831   109 VAL  MG1         3.50    (#   1831:20  Single Ambig)
 &rst
  ixpk= 1831, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2097,2159,
 igr2=1687,1688,1689,
 &end
#
#   51 ALA  MB           52 VAL  MG2         4.50    (#   1832:20  Unique         5.14, 6.65 A)
 &rst
  ixpk= 1832, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 745, 746, 747,
 igr2= 761, 762, 763,
 &end
#
#   52 VAL  HB           52 VAL  MG2         3.00    (#   1833:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 1833, nxpk= 20, iat= 755,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 761, 762, 763,
 &end
#
#    0 AMB  20-2:1834     0 AMB  20-1:1834   3.00    (#   1834:20  Double Ambig)
 &rst
  ixpk= 1834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 923, 924, 925,  97,  98,  99,
 igr2= 761, 762, 763, 559, 560, 561,
 &end
#
#   52 VAL  HA           52 VAL  MG2         3.50    (#   1835:20  Unique         2.41, 2.93 A)
 &rst
  ixpk= 1835, nxpk= 20, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 761, 762, 763,
 &end
#
#  145 LEU  HA          145 LEU  MD2         3.00    (#   1836:20  Unique         2.10, 2.89 A)
 &rst
  ixpk= 1836, nxpk= 20, iat=2244,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=2255,2256,2257,
 &end
#
#    0 AMB  20-2:1837   145 LEU  MD2         5.50    (#   1837:20  Single Ambig)
 &rst
  ixpk= 1837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=2195,2227,2263,
 igr2=2255,2256,2257,
 &end
#
#    1 MET  HG+         145 LEU  MD2         5.50    (#   1838:20  Unique         2.74, 4.68 A)
 &rst
  ixpk= 1838, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  11,  12,
 igr2=2255,2256,2257,
 &end
#
#  144 GLN  HB+         145 LEU  MD2         5.50    (#   1839:20  Unique         3.21, 4.98 A)
 &rst
  ixpk= 1839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2229,2230,
 igr2=2255,2256,2257,
 &end
#
#    0 AMB  20-2:1840   145 LEU  MD2         3.00    (#   1840:20  Single Ambig)
 &rst
  ixpk= 1840, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=  15,  16,  17,2249,
 igr2=2255,2256,2257,
 &end
#
#  150 ARG  HB-         145 LEU  MD2         5.50    (#   1841:20  Unique         2.36, 4.74 A)
 &rst
  ixpk= 1841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2345,2346,
 igr2=2255,2256,2257,
 &end
#
#  145 LEU  HB-         145 LEU  MD2         3.00    (#   1842:20  Unique         2.52, 3.62 A)
 &rst
  ixpk= 1842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=2246,2247,
 igr2=2255,2256,2257,
 &end
#
#   79 LEU  HB+         145 LEU  MD2         4.50    (#   1843:20  Unique         4.91, 6.24 A)
 &rst
  ixpk= 1843, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1167,1168,
 igr2=2255,2256,2257,
 &end
#
#    0 AMB  20-2:1844   145 LEU  MD2         4.50    (#   1844:20  Single Ambig)
 &rst
  ixpk= 1844, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1207,1208,1209,1172,1173,1174,
 igr2=2255,2256,2257,
 &end
#
#    0 AMB  20-2:1845   145 LEU  MD2         5.50    (#   1845:20  Single Ambig)
 &rst
  ixpk= 1845, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2229,2230,   8,   9,
 igr2=2255,2256,2257,
 &end
#
#  116 VAL  HA          116 VAL  MG2         4.50    (#   1846:20  Unique         2.52, 3.26 A)
 &rst
  ixpk= 1846, nxpk= 20, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1775,1776,1777,
 &end
#
#    0 AMB  20-2:1847   116 VAL  MG2         3.50    (#   1847:20  Single Ambig)
 &rst
  ixpk= 1847, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1769,1608,1609,
 igr2=1775,1776,1777,
 &end
#
#  106 LYS  HD-         116 VAL  MG2         5.50    (#   1848:20  Unique         4.17, 5.84 A)
 &rst
  ixpk= 1848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1633,1634,
 igr2=1775,1776,1777,
 &end
#
#    0 AMB  20-2:1849   116 VAL  MG2         5.50    (#   1849:20  Single Ambig)
 &rst
  ixpk= 1849, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1633,1634, 182, 183,
 igr2=1775,1776,1777,
 &end
#
#  105 LEU  HG          116 VAL  MG2         4.50    (#   1850:20  Unique         2.52, 3.74 A)
 &rst
  ixpk= 1850, nxpk= 20, iat=1611,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1775,1776,1777,
 &end
#
#  106 LYS  HE-         116 VAL  MG2         4.50    (#   1851:20  Unique         2.18, 4.10 A)
 &rst
  ixpk= 1851, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1636,1637,
 igr2=1775,1776,1777,
 &end
#
#    0 AMB  20-2:1852   116 VAL  MG2         4.50    (#   1852:20  Single Ambig)
 &rst
  ixpk= 1852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1234,1235,2102,1238,1239,1240,
 igr2=1775,1776,1777,
 &end
#
#  115 ASP  HB+          84 THR  MG2         4.50    (#   1854:20  Unique         2.28, 4.16 A)
 &rst
  ixpk= 1854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1757,1758,
 igr2=1250,1251,1252,
 &end
#
#   86 GLN  HB-          84 THR  MG2         4.50    (#   1855:20  Unique         3.78, 5.46 A)
 &rst
  ixpk= 1855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1279,1280,
 igr2=1250,1251,1252,
 &end
#
#   84 THR  HB           84 THR  MG2         3.50    (#   1856:20  Unique         2.42, 2.65 A)
 &rst
  ixpk= 1856, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1250,1251,1252,
 &end
#
#    0 AMB  20-2:1857   102 VAL  MG2         3.50    (#   1857:20  Single Ambig)
 &rst
  ixpk= 1857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1503,1504,1109,1110,1111,
 igr2=1564,1565,1566,
 &end
#
#    1 MET  HG+          32 VAL  MG2         4.50    (#   1858:20  Unique         5.30, 6.13 A)
 &rst
  ixpk= 1858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  11,  12,
 igr2= 484, 485, 486,
 &end
#
#    1 MET  HB-          32 VAL  MG2         5.50    (#   1859:20  Unique         5.60, 6.76 A)
 &rst
  ixpk= 1859, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=   8,   9,
 igr2= 484, 485, 486,
 &end
#
#    0 AMB  20-2:1860    32 VAL  MG2         3.00    (#   1860:20  Single Ambig)
 &rst
  ixpk= 1860, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 445, 446, 325, 326,
 igr2= 484, 485, 486,
 &end
#
#    0 AMB  20-2:1862    32 VAL  MG2         4.50    (#   1862:20  Single Ambig)
 &rst
  ixpk= 1862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 325, 326, 328, 329,
 igr2= 484, 485, 486,
 &end
#
#    3 ILE  QD1          32 VAL  MG2         3.50    (#   1863:20  Unique         4.01, 5.63 A)
 &rst
  ixpk= 1863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  46,  47,  48,
 igr2= 484, 485, 486,
 &end
#
#   99 ARG  HA          102 VAL  MG2         3.50    (#   1864:20  Unique         2.17, 3.00 A)
 &rst
  ixpk= 1864, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1564,1565,1566,
 &end
#
#   32 VAL  HB           32 VAL  MG2         3.00    (#   1865:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1865, nxpk= 20, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 484, 485, 486,
 &end
#
#    0 AMB  20-2:1866    32 VAL  MG2         3.00    (#   1866:20  Single Ambig)
 &rst
  ixpk= 1866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 445, 446, 514, 515, 516,  43,  44,
 igr2= 484, 485, 486,
 &end
#
#   34 VAL  MG1          32 VAL  MG2         3.00    (#   1867:20  Unique         2.45, 3.98 A)
 &rst
  ixpk= 1867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 510, 511, 512,
 igr2= 484, 485, 486,
 &end
#
#    0 AMB  20-2:1868   102 VAL  MG2         3.00    (#   1868:20  Single Ambig)
 &rst
  ixpk= 1868, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1558,1500,1501,1536,1537,
 igr2=1564,1565,1566,
 &end
#
#   91 ILE  QG2         102 VAL  MG2         3.00    (#   1869:20  Unique         2.45, 3.74 A)
 &rst
  ixpk= 1869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1373,1374,1375,
 igr2=1564,1565,1566,
 &end
#
#   88 LYS  QD          102 VAL  MG2         4.50    (#   1870:20  Unique         2.71, 5.83 A)
 &rst
  ixpk= 1870, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1319,1320,
 igr2=1564,1565,1566,
 &end
#
#   80 VAL  MG1         102 VAL  MG2         3.00    (#   1871:20  Unique         2.38, 4.34 A)
 &rst
  ixpk= 1871, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1188,1189,1190,
 igr2=1564,1565,1566,
 &end
#
#   91 ILE  QD1         102 VAL  MG2         3.00    (#   1872:20  Unique         3.31, 4.84 A)
 &rst
  ixpk= 1872, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1380,1381,1382,
 igr2=1564,1565,1566,
 &end
#
#    0 AMB  20-2:1873   102 VAL  MG2         3.50    (#   1873:20  Single Ambig)
 &rst
  ixpk= 1873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1313,1314,1539,1540,1390,1391,1392,1221,1222,1223,
      
 igr2=1564,1565,1566,
 &end
#
#   88 LYS  HA          102 VAL  MG2         4.00    (#   1874:20  Unique         3.13, 4.51 A)
 &rst
  ixpk= 1874, nxpk= 20, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1564,1565,1566,
 &end
#
#   88 LYS  QG          102 VAL  MG2         3.00    (#   1875:20  Unique         2.22, 4.46 A)
 &rst
  ixpk= 1875, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1316,1317,
 igr2=1564,1565,1566,
 &end
#
#  130 THR  HA          130 THR  MG2         3.50    (#   1876:20  Unique         2.58, 3.42 A)
 &rst
  ixpk= 1876, nxpk= 20, iat=1983,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1987,1988,1989,
 &end
#
#  134 LEU  HB+         130 THR  MG2         5.50    (#   1877:20  Unique         2.98, 4.36 A)
 &rst
  ixpk= 1877, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2050,2051,
 igr2=1987,1988,1989,
 &end
#
#    0 AMB  20-2:1879   130 THR  MG2         4.50    (#   1879:20  Single Ambig)
 &rst
  ixpk= 1879, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1819,1820,1785,1786,
 igr2=1987,1988,1989,
 &end
#
#  134 LEU  MD1         130 THR  MG2         4.50    (#   1880:20  Unique         3.61, 5.63 A)
 &rst
  ixpk= 1880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=2055,2056,2057,
 igr2=1987,1988,1989,
 &end
#
#  110 THR  HB          110 THR  MG2         3.00    (#   1881:20  Unique         2.40, 2.66 A)
 &rst
  ixpk= 1881, nxpk= 20, iat=1701,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1703,1704,1705,
 &end
#
#  137 LEU  HA          110 THR  MG2         5.50    (#   1882:20  Unique         5.01, 6.22 A)
 &rst
  ixpk= 1882, nxpk= 20, iat=2097,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1703,1704,1705,
 &end
#
#  106 LYS  HA          110 THR  MG2         4.50    (#   1883:20  Unique         3.56, 5.02 A)
 &rst
  ixpk= 1883, nxpk= 20, iat=1625,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1703,1704,1705,
 &end
#
#  109 VAL  HB          110 THR  MG2         3.50    (#   1884:20  Unique         2.38, 3.87 A)
 &rst
  ixpk= 1884, nxpk= 20, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1703,1704,1705,
 &end
#
#  106 LYS  HB+         110 THR  MG2         4.50    (#   1885:20  Unique         3.72, 5.95 A)
 &rst
  ixpk= 1885, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1627,1628,
 igr2=1703,1704,1705,
 &end
#
#  106 LYS  HD+         110 THR  MG2         4.50    (#   1886:20  Unique         3.30, 4.58 A)
 &rst
  ixpk= 1886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1633,1634,
 igr2=1703,1704,1705,
 &end
#
#  109 VAL  MG1         110 THR  MG2         3.50    (#   1887:20  Unique         2.46, 4.51 A)
 &rst
  ixpk= 1887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1687,1688,1689,
 igr2=1703,1704,1705,
 &end
#
#  137 LEU  MD1         110 THR  MG2         3.00    (#   1888:20  Unique         3.23, 4.62 A)
 &rst
  ixpk= 1888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=2104,2105,2106,
 igr2=1703,1704,1705,
 &end
#
#   68 PRO  HB-          70 THR  MG2         4.50    (#   1889:20  Unique         2.30, 4.16 A)
 &rst
  ixpk= 1889, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1009,1010,
 igr2=1041,1042,1043,
 &end
#
#    0 AMB  20-2:1890   130 THR  MG2         5.50    (#   1890:20  Single Ambig)
 &rst
  ixpk= 1890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1767,1966,
 igr2=1987,1988,1989,
 &end
#
#  130 THR  HB          130 THR  MG2         3.50    (#   1891:20  Unique         2.36, 2.64 A)
 &rst
  ixpk= 1891, nxpk= 20, iat=1985,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1987,1988,1989,
 &end
#
#    0 AMB  20-2:1892   130 THR  MG2         5.50    (#   1892:20  Single Ambig)
 &rst
  ixpk= 1892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2035,2036,2038,2039,
 igr2=1987,1988,1989,
 &end
#
#   16 MET  HE1         130 THR  MG2         3.50    (#   1893:20  Unique         2.24, 3.81 A)
 &rst
  ixpk= 1893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 238, 239, 240,
 igr2=1987,1988,1989,
 &end
#
#  116 VAL  HB          130 THR  MG2         5.50    (#   1894:20  Unique         3.23, 4.94 A)
 &rst
  ixpk= 1894, nxpk= 20, iat=1769,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1987,1988,1989,
 &end
#
#   68 PRO  HG+          70 THR  MG2         4.50    (#   1895:20  Unique         2.67, 4.00 A)
 &rst
  ixpk= 1895, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1006,1007,
 igr2=1041,1042,1043,
 &end
#
#   73 LEU  HB+          70 THR  MG2         5.50    (#   1896:20  Unique         5.80, 6.65 A)
 &rst
  ixpk= 1896, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1083,1084,
 igr2=1041,1042,1043,
 &end
#
#    0 AMB  20-2:1897    70 THR  MG2         5.50    (#   1897:20  Single Ambig)
 &rst
  ixpk= 1897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1018,1003,1004,
 igr2=1041,1042,1043,
 &end
#
#   68 PRO  HB+          70 THR  MG2         4.50    (#   1898:20  Unique         2.30, 4.16 A)
 &rst
  ixpk= 1898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1009,1010,
 igr2=1041,1042,1043,
 &end
#
#   46 LYS  HG+          65 VAL  MG1         4.50    (#   1899:20  Unique         4.38, 6.36 A)
 &rst
  ixpk= 1899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 671, 672,
 igr2= 970, 971, 972,
 &end
#
#   43 PRO  HB-          65 VAL  MG1         5.50    (#   1900:20  Unique         4.29, 5.97 A)
 &rst
  ixpk= 1900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 636, 637,
 igr2= 970, 971, 972,
 &end
#
#   46 LYS  HB+          65 VAL  MG1         4.50    (#   1901:20  Unique         2.55, 4.69 A)
 &rst
  ixpk= 1901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 668, 669,
 igr2= 970, 971, 972,
 &end
#
#    0 AMB  20-2:1902    65 VAL  MG1         3.50    (#   1902:20  Single Ambig)
 &rst
  ixpk= 1902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 645, 639,
 igr2= 970, 971, 972,
 &end
#
#   65 VAL  HA           65 VAL  MG1         3.50    (#   1903:20  Unique         2.44, 3.12 A)
 &rst
  ixpk= 1903, nxpk= 20, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 970, 971, 972,
 &end
#
#   65 VAL  HB           65 VAL  MG1         3.00    (#   1904:20  Unique         2.44, 2.67 A)
 &rst
  ixpk= 1904, nxpk= 20, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 970, 971, 972,
 &end
#
#   53 GLU  HA           52 VAL  MG1         4.50    (#   1906:20  Unique         3.48, 4.28 A)
 &rst
  ixpk= 1906, nxpk= 20, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 757, 758, 759,
 &end
#
#   52 VAL  HA           52 VAL  MG1         3.50    (#   1907:20  Unique         3.71, 3.96 A)
 &rst
  ixpk= 1907, nxpk= 20, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 757, 758, 759,
 &end
#
#   52 VAL  HB           52 VAL  MG1         3.00    (#   1908:20  Unique         2.36, 2.61 A)
 &rst
  ixpk= 1908, nxpk= 20, iat= 755,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 757, 758, 759,
 &end
#
#   53 GLU  HG-          52 VAL  MG1         5.50    (#   1909:20  Unique         5.20, 6.48 A)
 &rst
  ixpk= 1909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 774, 775,
 igr2= 757, 758, 759,
 &end
#
#    0 AMB  20-2:1910    52 VAL  MG1         4.50    (#   1910:20  Single Ambig)
 &rst
  ixpk= 1910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 771, 772, 918, 919,
 igr2= 757, 758, 759,
 &end
#
#   47 ALA  MB           52 VAL  MG1         3.50    (#   1911:20  Unique         3.89, 5.34 A)
 &rst
  ixpk= 1911, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 690, 691, 692,
 igr2= 757, 758, 759,
 &end
#
#   62 LEU  QD1          52 VAL  MG1         4.50    (#   1912:20  Unique         5.43, 6.72 A)
 &rst
  ixpk= 1912, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 923, 924, 925,
 igr2= 757, 758, 759,
 &end
#
#   55 LEU  HB+          52 VAL  MG1         5.50    (#   1913:20  Unique         6.11, 7.42 A)
 &rst
  ixpk= 1913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 796, 797,
 igr2= 757, 758, 759,
 &end
#
#   80 VAL  HA           80 VAL  MG1         4.50    (#   1914:20  Unique         2.55, 3.20 A)
 &rst
  ixpk= 1914, nxpk= 20, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1188,1189,1190,
 &end
#
#   80 VAL  HB           80 VAL  MG1         3.00    (#   1915:20  Unique         2.43, 2.66 A)
 &rst
  ixpk= 1915, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1188,1189,1190,
 &end
#
#   74 MET  HE           80 VAL  MG1         3.50    (#   1916:20  Unique         3.46, 5.38 A)
 &rst
  ixpk= 1916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1109,1110,1111,
 igr2=1188,1189,1190,
 &end
#
#    4 ILE  HB           80 VAL  MG1         4.50    (#   1917:20  Unique         2.31, 3.74 A)
 &rst
  ixpk= 1917, nxpk= 20, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1188,1189,1190,
 &end
#
#   91 ILE  QG2          80 VAL  MG1         3.00    (#   1918:20  Unique         2.27, 4.55 A)
 &rst
  ixpk= 1918, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1373,1374,1375,
 igr2=1188,1189,1190,
 &end
#
#  102 VAL  MG2          80 VAL  MG1         3.00    (#   1919:20  Unique         2.38, 4.34 A)
 &rst
  ixpk= 1919, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1564,1565,1566,
 igr2=1188,1189,1190,
 &end
#
#   91 ILE  QG2          82 ALA  MB          4.50    (#   1920:20  Unique         4.81, 6.73 A)
 &rst
  ixpk= 1920, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1373,1374,1375,
 igr2=1221,1222,1223,
 &end
#
#    0 AMB  20-2:1921    82 ALA  MB          5.50    (#   1921:20  Single Ambig)
 &rst
  ixpk= 1921, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1294,1606,
 igr2=1221,1222,1223,
 &end
#
#   87 HIS  HB-          82 ALA  MB          3.50    (#   1922:20  Unique         2.15, 3.56 A)
 &rst
  ixpk= 1922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1296,1297,
 igr2=1221,1222,1223,
 &end
#
#   87 HIS  HB+          82 ALA  MB          3.50    (#   1923:20  Unique         2.15, 3.56 A)
 &rst
  ixpk= 1923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1296,1297,
 igr2=1221,1222,1223,
 &end
#
#   88 LYS  HB+          82 ALA  MB          5.50    (#   1924:20  Unique         2.43, 4.10 A)
 &rst
  ixpk= 1924, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1313,1314,
 igr2=1221,1222,1223,
 &end
#
#   83 MET  HG+          82 ALA  MB          5.50    (#   1925:20  Unique         5.08, 6.97 A)
 &rst
  ixpk= 1925, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1234,1235,
 igr2=1221,1222,1223,
 &end
#
#    0 AMB  20-2:1926    82 ALA  MB          4.50    (#   1926:20  Single Ambig)
 &rst
  ixpk= 1926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1564,1565,1566,1202,1203,
 igr2=1221,1222,1223,
 &end
#
#    0 AMB  20-2:1927    82 ALA  MB          3.50    (#   1927:20  Single Ambig)
 &rst
  ixpk= 1927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=  97,  98,  99,1188,1189,1190,1596,1597,1598,
 igr2=1221,1222,1223,
 &end
#
#   91 ILE  QD1          82 ALA  MB          3.50    (#   1928:20  Unique         2.44, 3.71 A)
 &rst
  ixpk= 1928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1380,1381,1382,
 igr2=1221,1222,1223,
 &end
#
#   11 THR  HA           11 THR  MG2         3.50    (#   1929:20  Unique         2.35, 3.00 A)
 &rst
  ixpk= 1929, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 159, 160, 161,
 &end
#
#    0 AMB  20-2:1930    65 VAL  MG2         5.50    (#   1930:20  Single Ambig)
 &rst
  ixpk= 1930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 645, 639,
 igr2= 974, 975, 976,
 &end
#
#   65 VAL  HA           65 VAL  MG2         3.50    (#   1931:20  Unique         2.53, 3.19 A)
 &rst
  ixpk= 1931, nxpk= 20, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 974, 975, 976,
 &end
#
#   46 LYS  HE+          65 VAL  MG2         5.50    (#   1932:20  Unique         3.58, 5.98 A)
 &rst
  ixpk= 1932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 677, 678,
 igr2= 974, 975, 976,
 &end
#
#   65 VAL  HB           65 VAL  MG2         3.00    (#   1933:20  Unique         2.44, 2.66 A)
 &rst
  ixpk= 1933, nxpk= 20, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 974, 975, 976,
 &end
#
#   46 LYS  HG+          65 VAL  MG2         4.50    (#   1934:20  Unique         3.67, 5.79 A)
 &rst
  ixpk= 1934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 671, 672,
 igr2= 974, 975, 976,
 &end
#
#   47 ALA  MB           65 VAL  MG2         5.50    (#   1935:20  Unique         6.30, 7.84 A)
 &rst
  ixpk= 1935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 690, 691, 692,
 igr2= 974, 975, 976,
 &end
#
#    0 AMB  20-2:1937    83 MET  HE          5.50    (#   1937:20  Single Ambig)
 &rst
  ixpk= 1937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1606, 223,
 igr2=1238,1239,1240,
 &end
#
#   14 SER  HA           83 MET  HE          4.50    (#   1938:20  Unique         2.32, 3.52 A)
 &rst
  ixpk= 1938, nxpk= 20, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1238,1239,1240,
 &end
#
#   14 SER  HB+          83 MET  HE          5.50    (#   1939:20  Unique         3.59, 5.50 A)
 &rst
  ixpk= 1939, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 206, 207,
 igr2=1238,1239,1240,
 &end
#
#    5 PHE  HB+          83 MET  HE          3.50    (#   1940:20  Unique         2.15, 4.01 A)
 &rst
  ixpk= 1940, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  75,  76,
 igr2=1238,1239,1240,
 &end
#
#   81 LEU  HB+          83 MET  HE          4.50    (#   1941:20  Unique         3.55, 5.66 A)
 &rst
  ixpk= 1941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1202,1203,
 igr2=1238,1239,1240,
 &end
#
#  105 LEU  HB-          83 MET  HE          3.50    (#   1942:20  Unique         2.85, 5.16 A)
 &rst
  ixpk= 1942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1608,1609,
 igr2=1238,1239,1240,
 &end
#
#  105 LEU  MD1          83 MET  HE          3.50    (#   1943:20  Unique         2.48, 4.64 A)
 &rst
  ixpk= 1943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1613,1614,1615,
 igr2=1238,1239,1240,
 &end
#
#  117 LEU  HB-         116 VAL  MG1         3.50    (#   1944:20  Unique         2.72, 4.55 A)
 &rst
  ixpk= 1944, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1785,1786,
 igr2=1771,1772,1773,
 &end
#
#   83 MET  HB+          83 MET  HE          4.50    (#   1945:20  Unique         4.07, 5.12 A)
 &rst
  ixpk= 1945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1231,1232,
 igr2=1238,1239,1240,
 &end
#
#    0 AMB  20-2:1947    83 MET  HE          5.50    (#   1947:20  Single Ambig)
 &rst
  ixpk= 1947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1775,1776,1777,2121,
 igr2=1238,1239,1240,
 &end
#
#  105 LEU  HG           83 MET  HE          5.50    (#   1948:20  Unique         4.63, 5.88 A)
 &rst
  ixpk= 1948, nxpk= 20, iat=1611,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1238,1239,1240,
 &end
#
#   17 ALA  MB           83 MET  HE          3.00    (#   1949:20  Unique         2.53, 4.09 A)
 &rst
  ixpk= 1949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 248, 249, 250,
 igr2=1238,1239,1240,
 &end
#
#   81 LEU  MD1          83 MET  HE          5.50    (#   1950:20  Unique         5.11, 7.09 A)
 &rst
  ixpk= 1950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1207,1208,1209,
 igr2=1238,1239,1240,
 &end
#
#  106 LYS  HE-         116 VAL  MG1         5.50    (#   1951:20  Unique         3.80, 5.57 A)
 &rst
  ixpk= 1951, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1636,1637,
 igr2=1771,1772,1773,
 &end
#
#  116 VAL  HA          116 VAL  MG1         3.50    (#   1952:20  Unique         2.50, 3.18 A)
 &rst
  ixpk= 1952, nxpk= 20, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1771,1772,1773,
 &end
#
#    0 AMB  20-2:1953   116 VAL  MG1         3.50    (#   1953:20  Single Ambig)
 &rst
  ixpk= 1953, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2048,1783,
 igr2=1771,1772,1773,
 &end
#
#  133 GLU  HG+         116 VAL  MG1         4.50    (#   1954:20  Unique         2.17, 3.88 A)
 &rst
  ixpk= 1954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2038,2039,
 igr2=1771,1772,1773,
 &end
#
#  116 VAL  HB          116 VAL  MG1         3.00    (#   1955:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 1955, nxpk= 20, iat=1769,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1771,1772,1773,
 &end
#
#  117 LEU  HB+         116 VAL  MG1         4.50    (#   1956:20  Unique         2.72, 4.55 A)
 &rst
  ixpk= 1956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1785,1786,
 igr2=1771,1772,1773,
 &end
#
#  134 LEU  MD1         116 VAL  MG1         3.00    (#   1957:20  Unique         2.40, 4.62 A)
 &rst
  ixpk= 1957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=2055,2056,2057,
 igr2=1771,1772,1773,
 &end
#
#   39 VAL  HA           39 VAL  MG1         3.00    (#   1958:20  Unique         2.37, 3.01 A)
 &rst
  ixpk= 1958, nxpk= 20, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 578, 579, 580,
 &end
#
#    0 AMB  20-2:1959    39 VAL  MG1         3.00    (#   1959:20  Single Ambig)
 &rst
  ixpk= 1959, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 576,1020,1021,
 igr2= 578, 579, 580,
 &end
#
#    0 AMB  20-2:1960   116 VAL  MG1         4.50    (#   1960:20  Single Ambig)
 &rst
  ixpk= 1960, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2038,2039,2035,2036,
 igr2=1771,1772,1773,
 &end
#
#   85 HIS  HA          104 THR  MG2         4.50    (#   1961:20  Unique         2.72, 3.70 A)
 &rst
  ixpk= 1961, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1596,1597,1598,
 &end
#
#   88 LYS  QD          104 THR  MG2         5.50    (#   1962:20  Unique         4.27, 5.97 A)
 &rst
  ixpk= 1962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1319,1320,
 igr2=1596,1597,1598,
 &end
#
#    0 AMB  20-2:1963   104 THR  MG2         3.50    (#   1963:20  Single Ambig)
 &rst
  ixpk= 1963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1221,1222,1223,1608,1609,1313,1314,
 igr2=1596,1597,1598,
 &end
#
#   66 SER  HB+          41 ALA  MB          3.50    (#   1965:20  Unique         2.18, 3.85 A)
 &rst
  ixpk= 1965, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 984, 985,
 igr2= 612, 613, 614,
 &end
#
#   68 PRO  HB+          41 ALA  MB          4.50    (#   1967:20  Unique         3.75, 5.50 A)
 &rst
  ixpk= 1967, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1009,1010,
 igr2= 612, 613, 614,
 &end
#
#   10 ASN  HB-          41 ALA  MB          4.50    (#   1968:20  Unique         2.35, 3.09 A)
 &rst
  ixpk= 1968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 143, 144,
 igr2= 612, 613, 614,
 &end
#
#   68 PRO  HB-          41 ALA  MB          4.50    (#   1969:20  Unique         3.75, 5.50 A)
 &rst
  ixpk= 1969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1009,1010,
 igr2= 612, 613, 614,
 &end
#
#   41 ALA  HA           41 ALA  MB          3.50    (#   1971:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1971, nxpk= 20, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 612, 613, 614,
 &end
#
#   22 LYS  HA           32 VAL  MG1         7.00    (#   1972:20  Unique         6.79, 7.45 A)
 &rst
  ixpk= 1972, nxpk= 20, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 480, 481, 482,
 &end
#
#    0 AMB  20-2:1973     0 AMB  20-1:1973   5.50    (#   1973:20  Double Ambig)
 &rst
  ixpk= 1973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=2345,2346,1411,1412,
 igr2= 480, 481, 482, 578, 579, 580,
 &end
#
#   74 MET  HA           80 VAL  MG2         5.50    (#   1974:20  Unique         3.56, 4.04 A)
 &rst
  ixpk= 1974, nxpk= 20, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1192,1193,1194,
 &end
#
#  101 LYS  HB-          80 VAL  MG2         4.50    (#   1975:20  Unique         2.46, 4.57 A)
 &rst
  ixpk= 1975, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1536,1537,
 igr2=1192,1193,1194,
 &end
#
#   74 MET  HE           80 VAL  MG2         3.50    (#   1976:20  Unique         2.34, 4.17 A)
 &rst
  ixpk= 1976, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1109,1110,1111,
 igr2=1192,1193,1194,
 &end
#
#    4 ILE  HB           80 VAL  MG2         3.50    (#   1977:20  Unique         2.41, 3.59 A)
 &rst
  ixpk= 1977, nxpk= 20, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1192,1193,1194,
 &end
#
#    0 AMB  20-2:1978    80 VAL  MG2         3.00    (#   1978:20  Single Ambig)
 &rst
  ixpk= 1978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=1102,1103,1145,1146,1147,
 igr2=1192,1193,1194,
 &end
#
#  102 VAL  MG2          80 VAL  MG2         4.50    (#   1979:20  Unique         3.28, 5.27 A)
 &rst
  ixpk= 1979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1564,1565,1566,
 igr2=1192,1193,1194,
 &end
#
#    1 MET  HB-          32 VAL  MG1         4.50    (#   1980:20  Unique         2.28, 4.34 A)
 &rst
  ixpk= 1980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=   8,   9,
 igr2= 480, 481, 482,
 &end
#
#   30 LEU  HB+          32 VAL  MG1         3.50    (#   1981:20  Unique         2.66, 4.62 A)
 &rst
  ixpk= 1981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 445, 446,
 igr2= 480, 481, 482,
 &end
#
#    0 AMB  20-2:1982    32 VAL  MG1         3.00    (#   1982:20  Single Ambig)
 &rst
  ixpk= 1982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 445, 446,  43,  44,
 igr2= 480, 481, 482,
 &end
#
#   34 VAL  MG1          32 VAL  MG1         3.50    (#   1983:20  Unique         4.23, 5.31 A)
 &rst
  ixpk= 1983, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 510, 511, 512,
 igr2= 480, 481, 482,
 &end
#
#   80 VAL  HA           80 VAL  MG2         3.50    (#   1984:20  Unique         2.49, 3.17 A)
 &rst
  ixpk= 1984, nxpk= 20, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1192,1193,1194,
 &end
#
#   80 VAL  HB           80 VAL  MG2         3.50    (#   1985:20  Unique         2.37, 2.65 A)
 &rst
  ixpk= 1985, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1192,1193,1194,
 &end
#
#    4 ILE  HG1-         80 VAL  MG2         4.50    (#   1986:20  Unique         3.08, 5.09 A)
 &rst
  ixpk= 1986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  62,  63,
 igr2=1192,1193,1194,
 &end
#
#    1 MET  HG+          32 VAL  MG1         5.50    (#   1987:20  Unique         2.54, 3.77 A)
 &rst
  ixpk= 1987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  11,  12,
 igr2= 480, 481, 482,
 &end
#
#   19 ALA  HA           19 ALA  MB          3.00    (#   1988:20  Unique         2.43, 2.68 A)
 &rst
  ixpk= 1988, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 273, 274, 275,
 &end
#
#   55 LEU  MD1          19 ALA  MB          3.00    (#   1989:20  Unique         2.37, 3.99 A)
 &rst
  ixpk= 1989, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 801, 802, 803,
 igr2= 273, 274, 275,
 &end
#
#   60 ILE  QG2          19 ALA  MB          3.00    (#   1990:20  Unique         2.21, 3.73 A)
 &rst
  ixpk= 1990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 891, 892, 893,
 igr2= 273, 274, 275,
 &end
#
#    0 AMB  20-2:1991    91 ILE  QG2         5.50    (#   1991:20  Single Ambig)
 &rst
  ixpk= 1991, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1388,1498,
 igr2=1373,1374,1375,
 &end
#
#   91 ILE  HA           91 ILE  QG2         3.50    (#   1992:20  Unique         2.64, 3.26 A)
 &rst
  ixpk= 1992, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1373,1374,1375,
 &end
#
#   95 PHE  HB-          91 ILE  QG2         5.50    (#   1993:20  Unique         3.64, 5.03 A)
 &rst
  ixpk= 1993, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1428,1429,
 igr2=1373,1374,1375,
 &end
#
#    0 AMB  20-2:1994    91 ILE  QG2         4.50    (#   1994:20  Single Ambig)
 &rst
  ixpk= 1994, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1558,1500,1501,
 igr2=1373,1374,1375,
 &end
#
#   91 ILE  HB           91 ILE  QG2         3.50    (#   1995:20  Unique         2.46, 2.67 A)
 &rst
  ixpk= 1995, nxpk= 20, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1373,1374,1375,
 &end
#
#    0 AMB  20-2:1996    91 ILE  QG2         4.50    (#   1996:20  Single Ambig)
 &rst
  ixpk= 1996, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1109,1110,1111,1503,1504,
 igr2=1373,1374,1375,
 &end
#
#    0 AMB  20-2:1997    91 ILE  QG2         4.50    (#   1997:20  Single Ambig)
 &rst
  ixpk= 1997, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1=1390,1391,1392,1539,1540,1313,1314,
 igr2=1373,1374,1375,
 &end
#
#  102 VAL  MG2          91 ILE  QG2         3.00    (#   1998:20  Unique         2.45, 3.74 A)
 &rst
  ixpk= 1998, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1564,1565,1566,
 igr2=1373,1374,1375,
 &end
#
#   91 ILE  QD1          91 ILE  QG2         3.00    (#   1999:20  Unique         2.17, 3.81 A)
 &rst
  ixpk= 1999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1380,1381,1382,
 igr2=1373,1374,1375,
 &end
#
#   16 MET  HA           19 ALA  MB          4.50    (#   2000:20  Unique         2.82, 3.79 A)
 &rst
  ixpk= 2000, nxpk= 20, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 273, 274, 275,
 &end
#
#   18 GLU  HG-          19 ALA  MB          5.50    (#   2001:20  Unique         3.44, 5.53 A)
 &rst
  ixpk= 2001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 261, 262,
 igr2= 273, 274, 275,
 &end
#
#    0 AMB  20-2:2002    19 ALA  MB          4.50    (#   2002:20  Single Ambig)
 &rst
  ixpk= 2002, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 258, 259, 322, 323,
 igr2= 273, 274, 275,
 &end
#
#    0 AMB  20-2:2003    19 ALA  MB          3.50    (#   2003:20  Single Ambig)
 &rst
  ixpk= 2003, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 796, 797, 328, 329, 231, 232,
 igr2= 273, 274, 275,
 &end
#
#    0 AMB  20-2:2004    19 ALA  MB          4.50    (#   2004:20  Single Ambig)
 &rst
  ixpk= 2004, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 918, 919, 283, 284,
 igr2= 273, 274, 275,
 &end
#
#   15 PRO  HB-          19 ALA  MB          4.50    (#   2005:20  Unique         4.53, 6.14 A)
 &rst
  ixpk= 2005, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 220, 221,
 igr2= 273, 274, 275,
 &end
#
#   62 LEU  QD1          19 ALA  MB          4.50    (#   2006:20  Unique         4.12, 5.36 A)
 &rst
  ixpk= 2006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 923, 924, 925,
 igr2= 273, 274, 275,
 &end
#
#   61 ALA  HA           61 ALA  MB          3.00    (#   2007:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 2007, nxpk= 20, iat= 906,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 908, 909, 910,
 &end
#
#   55 LEU  HB+          61 ALA  MB          7.00    (#   2008:20  Unique         5.36, 6.67 A)
 &rst
  ixpk= 2008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 796, 797,
 igr2= 908, 909, 910,
 &end
#
#   77 ALA  HA           77 ALA  MB          3.50    (#   2010:20  Unique         2.41, 2.63 A)
 &rst
  ixpk= 2010, nxpk= 20, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1145,1146,1147,
 &end
#
#    0 AMB  20-2:2011    77 ALA  MB          4.50    (#   2011:20  Single Ambig)
 &rst
  ixpk= 2011, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1100,1134,1135,
 igr2=1145,1146,1147,
 &end
#
#    0 AMB  20-2:2012    77 ALA  MB          4.50    (#   2012:20  Single Ambig)
 &rst
  ixpk= 2012, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  25,  26,1155,1156,
 igr2=1145,1146,1147,
 &end
#
#    0 AMB  20-2:2013    77 ALA  MB          3.50    (#   2013:20  Single Ambig)
 &rst
  ixpk= 2013, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1086,1109,1110,1111,
 igr2=1145,1146,1147,
 &end
#
#    0 AMB  20-2:2014    77 ALA  MB          4.50    (#   2014:20  Single Ambig)
 &rst
  ixpk= 2014, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  56,  43,  44,  37,
 igr2=1145,1146,1147,
 &end
#
#    4 ILE  HG1-         77 ALA  MB          3.50    (#   2015:20  Unique         2.31, 3.23 A)
 &rst
  ixpk= 2015, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  62,  63,
 igr2=1145,1146,1147,
 &end
#
#   80 VAL  MG2          77 ALA  MB          3.00    (#   2016:20  Unique         3.26, 4.65 A)
 &rst
  ixpk= 2016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1192,1193,1194,
 igr2=1145,1146,1147,
 &end
#
#   46 LYS  HB+          47 ALA  MB          5.50    (#   2017:20  Unique         3.82, 5.52 A)
 &rst
  ixpk= 2017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 668, 669,
 igr2= 690, 691, 692,
 &end
#
#    0 AMB  20-2:2018    47 ALA  MB          4.50    (#   2018:20  Single Ambig)
 &rst
  ixpk= 2018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 668, 669, 674, 675,
 igr2= 690, 691, 692,
 &end
#
#   51 ALA  MB           47 ALA  MB          3.50    (#   2019:20  Unique         2.84, 5.05 A)
 &rst
  ixpk= 2019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 745, 746, 747,
 igr2= 690, 691, 692,
 &end
#
#    0 AMB  20-2:2020    47 ALA  MB          3.00    (#   2020:20  Single Ambig)
 &rst
  ixpk= 2020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 761, 762, 763, 220, 221,
 igr2= 690, 691, 692,
 &end
#
#   62 LEU  QD2          47 ALA  MB          3.50    (#   2021:20  Unique         2.18, 3.40 A)
 &rst
  ixpk= 2021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 927, 928, 929,
 igr2= 690, 691, 692,
 &end
#
#    0 AMB  20-2:2022    47 ALA  MB          5.50    (#   2022:20  Single Ambig)
 &rst
  ixpk= 2022, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 155, 916,
 igr2= 690, 691, 692,
 &end
#
#   64 HIS  HB+          47 ALA  MB          4.50    (#   2023:20  Unique         2.69, 4.65 A)
 &rst
  ixpk= 2023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 951, 952,
 igr2= 690, 691, 692,
 &end
#
#   64 HIS  HB-          47 ALA  MB          4.50    (#   2024:20  Unique         2.69, 4.65 A)
 &rst
  ixpk= 2024, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 951, 952,
 igr2= 690, 691, 692,
 &end
#
#   62 LEU  QD1          47 ALA  MB          3.00    (#   2025:20  Unique         2.37, 4.26 A)
 &rst
  ixpk= 2025, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 923, 924, 925,
 igr2= 690, 691, 692,
 &end
#
#  142 ALA  HA          142 ALA  MB          3.00    (#   2027:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 2027, nxpk= 20, iat=2195,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=2197,2198,2199,
 &end
#
#    0 AMB  20-2:2028   142 ALA  MB          5.50    (#   2028:20  Single Ambig)
 &rst
  ixpk= 2028, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 372, 353,
 igr2=2197,2198,2199,
 &end
#
#   28 GLU  HG+         142 ALA  MB          4.50    (#   2029:20  Unique         2.28, 3.95 A)
 &rst
  ixpk= 2029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 426, 427,
 igr2=2197,2198,2199,
 &end
#
#   28 GLU  HG-         142 ALA  MB          3.50    (#   2030:20  Unique         2.28, 3.95 A)
 &rst
  ixpk= 2030, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 426, 427,
 igr2=2197,2198,2199,
 &end
#
#    0 AMB  20-2:2031   142 ALA  MB          4.50    (#   2031:20  Single Ambig)
 &rst
  ixpk= 2031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=2140,2141,2207,2208,2249,
 igr2=2197,2198,2199,
 &end
#
#    0 AMB  20-2:2032   142 ALA  MB          4.50    (#   2032:20  Single Ambig)
 &rst
  ixpk= 2032, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=2246,2247,2207,2208,2137,2138, 361, 362,
 igr2=2197,2198,2199,
 &end
#
#    0 AMB  20-2:2033   142 ALA  MB          3.00    (#   2033:20  Single Ambig)
 &rst
  ixpk= 2033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 450, 451, 452, 357, 358, 359,
 igr2=2197,2198,2199,
 &end
#
#    0 AMB  20-2:2034   142 ALA  MB          5.50    (#   2034:20  Single Ambig)
 &rst
  ixpk= 2034, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 300, 421,
 igr2=2197,2198,2199,
 &end
#
#    0 AMB  20-2:2035    51 ALA  MB          5.50    (#   2035:20  Single Ambig)
 &rst
  ixpk= 2035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 700,1828,
 igr2= 745, 746, 747,
 &end
#
#    0 AMB  20-2:2037    51 ALA  MB          5.50    (#   2037:20  Single Ambig)
 &rst
  ixpk= 2037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 220, 221, 927, 928, 929,
 igr2= 745, 746, 747,
 &end
#
#   62 LEU  QD1          51 ALA  MB          4.50    (#   2038:20  Unique         2.77, 3.90 A)
 &rst
  ixpk= 2038, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 923, 924, 925,
 igr2= 745, 746, 747,
 &end
#
#   51 ALA  HA           51 ALA  MB          3.00    (#   2039:20  Unique         2.44, 2.68 A)
 &rst
  ixpk= 2039, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 745, 746, 747,
 &end
#
#   16 MET  HE1          51 ALA  MB          4.50    (#   2040:20  Unique         3.84, 5.34 A)
 &rst
  ixpk= 2040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 238, 239, 240,
 igr2= 745, 746, 747,
 &end
#
#   48 THR  MG2          51 ALA  MB          3.00    (#   2041:20  Unique         2.68, 4.62 A)
 &rst
  ixpk= 2041, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 702, 703, 704,
 igr2= 745, 746, 747,
 &end
#
#    0 AMB  20-2:2042    51 ALA  MB          3.00    (#   2042:20  Single Ambig)
 &rst
  ixpk= 2042, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 690, 691, 692, 217, 218,
 igr2= 745, 746, 747,
 &end
#
#    0 AMB  20-2:2043    51 ALA  MB          4.50    (#   2043:20  Single Ambig)
 &rst
  ixpk= 2043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
 igr1= 220, 221, 757, 758, 759, 159, 160, 161, 761, 762,
       763,
 igr2= 745, 746, 747,
 &end
#
#   16 MET  HG-          51 ALA  MB          3.50    (#   2044:20  Unique         2.36, 3.52 A)
 &rst
  ixpk= 2044, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 234, 235,
 igr2= 745, 746, 747,
 &end
#
#    0 AMB  20-2:2048   124 ILE  QG2         3.00    (#   2048:20  Single Ambig)
 &rst
  ixpk= 2048, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1881,1882,1875,
 igr2=1877,1878,1879,
 &end
#
#   93 SER  HA           92 ALA  MB          5.50    (#   2049:20  Unique         4.07, 4.83 A)
 &rst
  ixpk= 2049, nxpk= 20, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1390,1391,1392,
 &end
#
#    0 AMB  20-2:2050    92 ALA  MB          3.50    (#   2050:20  Single Ambig)
 &rst
  ixpk= 2050, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1453,1333,
 igr2=1390,1391,1392,
 &end
#
#    0 AMB  20-2:2051    92 ALA  MB          3.00    (#   2051:20  Single Ambig)
 &rst
  ixpk= 2051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1388,1498,
 igr2=1390,1391,1392,
 &end
#
#   99 ARG  HD+          92 ALA  MB          4.50    (#   2052:20  Unique         2.19, 4.02 A)
 &rst
  ixpk= 2052, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1506,1507,
 igr2=1390,1391,1392,
 &end
#
#    0 AMB  20-2:2053    92 ALA  MB          5.50    (#   2053:20  Single Ambig)
 &rst
  ixpk= 2053, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1335,1336,1414,1415,
 igr2=1390,1391,1392,
 &end
#
#  102 VAL  HB           92 ALA  MB          5.50    (#   2054:20  Unique         5.18, 6.61 A)
 &rst
  ixpk= 2054, nxpk= 20, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1390,1391,1392,
 &end
#
#   99 ARG  HG+          92 ALA  MB          4.50    (#   2055:20  Unique         2.12, 4.21 A)
 &rst
  ixpk= 2055, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1503,1504,
 igr2=1390,1391,1392,
 &end
#
#   97 ARG  HB-          92 ALA  MB          5.50    (#   2056:20  Unique         3.18, 5.33 A)
 &rst
  ixpk= 2056, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1455,1456,
 igr2=1390,1391,1392,
 &end
#
#   97 ARG  HG-          92 ALA  MB          4.50    (#   2057:20  Unique         2.37, 4.42 A)
 &rst
  ixpk= 2057, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1458,1459,
 igr2=1390,1391,1392,
 &end
#
#  102 VAL  MG2          92 ALA  MB          4.50    (#   2058:20  Unique         3.64, 6.26 A)
 &rst
  ixpk= 2058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1564,1565,1566,
 igr2=1390,1391,1392,
 &end
#
#    0 AMB  20-2:2059   124 ILE  QG2         4.50    (#   2059:20  Single Ambig)
 &rst
  ixpk= 2059, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1864,1865,1892,
 igr2=1877,1878,1879,
 &end
#
#  124 ILE  HG1+        124 ILE  QG2         3.00    (#   2060:20  Unique         2.40, 3.13 A)
 &rst
  ixpk= 2060, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1881,1882,
 igr2=1877,1878,1879,
 &end
#
#    0 AMB  20-2:2061    60 ILE  QG2         5.50    (#   2061:20  Single Ambig)
 &rst
  ixpk= 2061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 918, 919, 283, 284,
 igr2= 891, 892, 893,
 &end
#
#   60 ILE  HA           60 ILE  QG2         3.50    (#   2062:20  Unique         2.45, 3.16 A)
 &rst
  ixpk= 2062, nxpk= 20, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 891, 892, 893,
 &end
#
#    0 AMB  20-2:2063    60 ILE  QG2         4.50    (#   2063:20  Single Ambig)
 &rst
  ixpk= 2063, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 281, 344, 345,
 igr2= 891, 892, 893,
 &end
#
#    0 AMB  20-2:2064    60 ILE  QG2         3.50    (#   2064:20  Single Ambig)
 &rst
  ixpk= 2064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 796, 797, 799,
 igr2= 891, 892, 893,
 &end
#
#    0 AMB  20-2:2065    60 ILE  QG2         3.00    (#   2065:20  Single Ambig)
 &rst
  ixpk= 2065, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 889, 895, 896,
 igr2= 891, 892, 893,
 &end
#
#   19 ALA  MB           60 ILE  QG2         3.00    (#   2066:20  Unique         2.21, 3.73 A)
 &rst
  ixpk= 2066, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 273, 274, 275,
 igr2= 891, 892, 893,
 &end
#
#  139 ARG  HA           24 ILE  QG2         3.00    (#   2067:20  Unique         2.35, 3.44 A)
 &rst
  ixpk= 2067, nxpk= 20, iat=2135,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 357, 358, 359,
 &end
#
#   28 GLU  HG+          24 ILE  QG2         4.50    (#   2068:20  Unique         2.60, 4.09 A)
 &rst
  ixpk= 2068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 426, 427,
 igr2= 357, 358, 359,
 &end
#
#    0 AMB  20-2:2069    24 ILE  QG2         3.00    (#   2069:20  Single Ambig)
 &rst
  ixpk= 2069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 355,2140,2141,
 igr2= 357, 358, 359,
 &end
#
#  142 ALA  MB           24 ILE  QG2         3.00    (#   2070:20  Unique         2.33, 3.25 A)
 &rst
  ixpk= 2070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=2197,2198,2199,
 igr2= 357, 358, 359,
 &end
#
#    0 AMB  20-2:2071    90 ILE  QG2         4.50    (#   2071:20  Single Ambig)
 &rst
  ixpk= 2071, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1400,1401,1409,
 igr2=1354,1355,1356,
 &end
#
#    0 AMB  20-2:2072     0 AMB  20-1:2072   3.50    (#   2072:20  Double Ambig)
 &rst
  ixpk= 2072, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 426, 427,1414,1415,
 igr2= 357, 358, 359,1354,1355,1356,
 &end
#
#   21 PHE  HA           24 ILE  QG2         4.50    (#   2073:20  Unique         4.19, 4.79 A)
 &rst
  ixpk= 2073, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 357, 358, 359,
 &end
#
#   24 ILE  HA           24 ILE  QG2         3.50    (#   2074:20  Unique         2.67, 3.30 A)
 &rst
  ixpk= 2074, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 357, 358, 359,
 &end
#
#    0 AMB  20-2:2075    25 ALA  MB          4.50    (#   2075:20  Single Ambig)
 &rst
  ixpk= 2075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 322, 323, 322, 323, 478,
 igr2= 374, 375, 376,
 &end
#
#   30 LEU  HB-          25 ALA  MB          3.00    (#   2076:20  Unique         2.70, 3.81 A)
 &rst
  ixpk= 2076, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 445, 446,
 igr2= 374, 375, 376,
 &end
#
#   32 VAL  MG1          25 ALA  MB          3.50    (#   2078:20  Unique         4.05, 5.36 A)
 &rst
  ixpk= 2078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 480, 481, 482,
 igr2= 374, 375, 376,
 &end
#
#   90 ILE  HA           90 ILE  QG2         3.50    (#   2079:20  Unique         2.53, 3.19 A)
 &rst
  ixpk= 2079, nxpk= 20, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1354,1355,1356,
 &end
#
#    0 AMB  20-2:2080    90 ILE  QG2         3.00    (#   2080:20  Single Ambig)
 &rst
  ixpk= 2080, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1358,1359,1352,
 igr2=1354,1355,1356,
 &end
#
#   90 ILE  HG1+         90 ILE  QG2         3.00    (#   2081:20  Unique         2.39, 3.43 A)
 &rst
  ixpk= 2081, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1358,1359,
 igr2=1354,1355,1356,
 &end
#
#   39 VAL  MG2          90 ILE  QG2         3.50    (#   2082:20  Unique         2.47, 5.00 A)
 &rst
  ixpk= 2082, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 582, 583, 584,
 igr2=1354,1355,1356,
 &end
#
#  145 LEU  HA            1 MET  HE          7.00    (#   2085:20  Unique         3.81, 5.64 A)
 &rst
  ixpk= 2085, nxpk= 20, iat=2244,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  15,  16,  17,
 &end
#
#    1 MET  HA            1 MET  HE          5.50    (#   2086:20  Unique         3.52, 4.83 A)
 &rst
  ixpk= 2086, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  15,  16,  17,
 &end
#
#   78 ASP  HB+           1 MET  HE          4.50    (#   2087:20  Unique         4.12, 5.89 A)
 &rst
  ixpk= 2087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1155,1156,
 igr2=  15,  16,  17,
 &end
#
#   78 ASP  HB-           1 MET  HE          4.50    (#   2088:20  Unique         4.12, 5.89 A)
 &rst
  ixpk= 2088, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1155,1156,
 igr2=  15,  16,  17,
 &end
#
#    1 MET  HG+           1 MET  HE          3.00    (#   2089:20  Unique         2.45, 3.32 A)
 &rst
  ixpk= 2089, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  11,  12,
 igr2=  15,  16,  17,
 &end
#
#    1 MET  HB-           1 MET  HE          4.50    (#   2090:20  Unique         2.47, 4.81 A)
 &rst
  ixpk= 2090, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=   8,   9,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  20-2:2092     1 MET  HE          4.50    (#   2092:20  Single Ambig)
 &rst
  ixpk= 2092, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2345,2346,2246,2247,
 igr2=  15,  16,  17,
 &end
#
#  149 ARG  HB-           1 MET  HE          5.50    (#   2094:20  Unique         2.87, 6.00 A)
 &rst
  ixpk= 2094, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2321,2322,
 igr2=  15,  16,  17,
 &end
#
#  150 ARG  HB-           1 MET  HE          5.50    (#   2095:20  Unique         2.37, 4.77 A)
 &rst
  ixpk= 2095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2345,2346,
 igr2=  15,  16,  17,
 &end
#
#  150 ARG  HG+           1 MET  HE          4.50    (#   2096:20  Unique         4.00, 6.04 A)
 &rst
  ixpk= 2096, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2348,2349,
 igr2=  15,  16,  17,
 &end
#
#    3 ILE  HG1-          1 MET  HE          3.50    (#   2098:20  Unique         2.19, 4.07 A)
 &rst
  ixpk= 2098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  43,  44,
 igr2=  15,  16,  17,
 &end
#
#   79 LEU  HB+           1 MET  HE          3.50    (#   2099:20  Unique         2.22, 3.55 A)
 &rst
  ixpk= 2099, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1167,1168,
 igr2=  15,  16,  17,
 &end
#
#   79 LEU  HG            1 MET  HE          4.50    (#   2100:20  Unique         4.51, 5.26 A)
 &rst
  ixpk= 2100, nxpk= 20, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  20-2:2101     1 MET  HE          3.00    (#   2101:20  Single Ambig)
 &rst
  ixpk= 2101, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2255,2256,2257,2251,2252,2253,
 igr2=  15,  16,  17,
 &end
#
#    3 ILE  QD1           1 MET  HE          3.50    (#   2102:20  Unique         2.62, 4.73 A)
 &rst
  ixpk= 2102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  46,  47,  48,
 igr2=  15,  16,  17,
 &end
#
#   79 LEU  MD2           1 MET  HE          3.50    (#   2103:20  Unique         2.28, 3.69 A)
 &rst
  ixpk= 2103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1176,1177,1178,
 igr2=  15,  16,  17,
 &end
#
#    3 ILE  QG2           1 MET  HE          5.50    (#   2105:20  Unique         4.41, 6.14 A)
 &rst
  ixpk= 2105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  39,  40,  41,
 igr2=  15,  16,  17,
 &end
#
#  141 LEU  HG            1 MET  HE          7.00    (#   2106:20  Unique         6.59, 7.53 A)
 &rst
  ixpk= 2106, nxpk= 20, iat=2181,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  15,  16,  17,
 &end
#
#  119 PRO  HA          126 ILE  QG2         3.50    (#   2108:20  Unique         2.07, 2.66 A)
 &rst
  ixpk= 2108, nxpk= 20, iat=1822,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1908,1909,1910,
 &end
#
#  126 ILE  HA          126 ILE  QG2         3.50    (#   2109:20  Unique         2.47, 3.07 A)
 &rst
  ixpk= 2109, nxpk= 20, iat=1904,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1908,1909,1910,
 &end
#
#  126 ILE  HB          126 ILE  QG2         3.00    (#   2110:20  Unique         2.44, 2.66 A)
 &rst
  ixpk= 2110, nxpk= 20, iat=1906,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1908,1909,1910,
 &end
#
#  119 PRO  HG-         126 ILE  QG2         5.50    (#   2111:20  Unique         4.74, 5.92 A)
 &rst
  ixpk= 2111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1816,1817,
 igr2=1908,1909,1910,
 &end
#
#  119 PRO  HB-         126 ILE  QG2         4.50    (#   2112:20  Unique         2.32, 3.81 A)
 &rst
  ixpk= 2112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1819,1820,
 igr2=1908,1909,1910,
 &end
#
#    0 AMB  20-2:2113   126 ILE  QG2         3.00    (#   2113:20  Single Ambig)
 &rst
  ixpk= 2113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1819,1820,1912,1913,
 igr2=1908,1909,1910,
 &end
#
#  117 LEU  HG          126 ILE  QG2         4.50    (#   2114:20  Unique         3.62, 4.87 A)
 &rst
  ixpk= 2114, nxpk= 20, iat=1788,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1908,1909,1910,
 &end
#
#  126 ILE  QD1         126 ILE  QG2         3.00    (#   2115:20  Unique         2.20, 3.79 A)
 &rst
  ixpk= 2115, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1915,1916,1917,
 igr2=1908,1909,1910,
 &end
#
#    0 AMB  20-2:2117    25 ALA  MB          4.50    (#   2117:20  Single Ambig)
 &rst
  ixpk= 2117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 382,2195,
 igr2= 374, 375, 376,
 &end
#
#   22 LYS  HA           25 ALA  MB          3.50    (#   2118:20  Unique         2.58, 3.51 A)
 &rst
  ixpk= 2118, nxpk= 20, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 374, 375, 376,
 &end
#
#   25 ALA  HA           25 ALA  MB          3.00    (#   2119:20  Unique         2.47, 2.67 A)
 &rst
  ixpk= 2119, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 374, 375, 376,
 &end
#
#   22 LYS  HG-          25 ALA  MB          4.50    (#   2120:20  Unique         4.38, 5.64 A)
 &rst
  ixpk= 2120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 325, 326,
 igr2= 374, 375, 376,
 &end
#
#    0 AMB  20-2:2121    25 ALA  MB          3.00    (#   2121:20  Single Ambig)
 &rst
  ixpk= 2121, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 445, 446, 325, 326,
 igr2= 374, 375, 376,
 &end
#
#    3 ILE  QD1          25 ALA  MB          7.00    (#   2122:20  Unique         6.11, 7.67 A)
 &rst
  ixpk= 2122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1=  46,  47,  48,
 igr2= 374, 375, 376,
 &end
#
#    4 ILE  HB            4 ILE  QG2         3.00    (#   2127:20  Unique         2.45, 2.68 A)
 &rst
  ixpk= 2127, nxpk= 20, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=  58,  59,  60,
 &end
#
#   51 ALA  HA           54 ALA  MB          4.50    (#   2128:20  Unique         2.71, 3.52 A)
 &rst
  ixpk= 2128, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 786, 787, 788,
 &end
#
#   54 ALA  HA           54 ALA  MB          3.00    (#   2129:20  Unique         2.43, 2.68 A)
 &rst
  ixpk= 2129, nxpk= 20, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 786, 787, 788,
 &end
#
#  127 TYR  HB+          54 ALA  MB          4.50    (#   2130:20  Unique         2.28, 3.40 A)
 &rst
  ixpk= 2130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1925,1926,
 igr2= 786, 787, 788,
 &end
#
#    0 AMB  20-2:2132    54 ALA  MB          4.50    (#   2132:20  Single Ambig)
 &rst
  ixpk= 2132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1925,1926,1999,2000,
 igr2= 786, 787, 788,
 &end
#
#   16 MET  HE1          54 ALA  MB          3.50    (#   2133:20  Unique         2.93, 4.45 A)
 &rst
  ixpk= 2133, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 238, 239, 240,
 igr2= 786, 787, 788,
 &end
#
#    0 AMB  20-2:2134    54 ALA  MB          5.50    (#   2134:20  Single Ambig)
 &rst
  ixpk= 2134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1946,1947, 771, 772, 835, 836,
 igr2= 786, 787, 788,
 &end
#
#    0 AMB  20-2:2135    54 ALA  MB          3.50    (#   2135:20  Single Ambig)
 &rst
  ixpk= 2135, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1999,2000, 796, 797,
 igr2= 786, 787, 788,
 &end
#
#  131 ARG  QG           54 ALA  MB          4.50    (#   2136:20  Unique         2.50, 5.44 A)
 &rst
  ixpk= 2136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2002,2003,
 igr2= 786, 787, 788,
 &end
#
#    0 AMB  20-2:2137    54 ALA  MB          5.50    (#   2137:20  Single Ambig)
 &rst
  ixpk= 2137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=1987,1988,1989, 918, 919,
 igr2= 786, 787, 788,
 &end
#
#  124 ILE  QD1          54 ALA  MB          3.00    (#   2138:20  Unique         2.40, 3.99 A)
 &rst
  ixpk= 2138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1884,1885,1886,
 igr2= 786, 787, 788,
 &end
#
#    0 AMB  20-2:2139     4 ILE  QG2         4.50    (#   2139:20  Single Ambig)
 &rst
  ixpk= 2139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 524, 525, 527, 528,
 igr2=  58,  59,  60,
 &end
#
#    4 ILE  HG1-          4 ILE  QG2         4.50    (#   2140:20  Unique         2.46, 3.47 A)
 &rst
  ixpk= 2140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  62,  63,
 igr2=  58,  59,  60,
 &end
#
#   37 ALA  MB            4 ILE  QG2         3.00    (#   2141:20  Unique         2.49, 3.59 A)
 &rst
  ixpk= 2141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 559, 560, 561,
 igr2=  58,  59,  60,
 &end
#
#    0 AMB  20-2:2142     0 AMB  20-1:2142   4.50    (#   2142:20  Double Ambig)
 &rst
  ixpk= 2142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1018, 548, 549, 548, 549, 229,
 igr2=  58,  59,  60, 248, 249, 250,
 &end
#
#    0 AMB  20-2:2143     0 AMB  20-1:2143   4.50    (#   2143:20  Double Ambig)
 &rst
  ixpk= 2143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=2053, 283, 284,1186,
 igr2= 248, 249, 250,  58,  59,  60,
 &end
#
#  134 LEU  MD1          17 ALA  MB          3.00    (#   2144:20  Unique         2.30, 4.34 A)
 &rst
  ixpk= 2144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=2055,2056,2057,
 igr2= 248, 249, 250,
 &end
#
#   14 SER  HA           17 ALA  MB          4.50    (#   2145:20  Unique         2.82, 3.72 A)
 &rst
  ixpk= 2145, nxpk= 20, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 248, 249, 250,
 &end
#
#   17 ALA  HA           17 ALA  MB          3.00    (#   2146:20  Unique         2.45, 2.68 A)
 &rst
  ixpk= 2146, nxpk= 20, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 248, 249, 250,
 &end
#
#    5 PHE  HB+          17 ALA  MB          4.50    (#   2147:20  Unique         2.72, 4.14 A)
 &rst
  ixpk= 2147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  75,  76,
 igr2= 248, 249, 250,
 &end
#
#   83 MET  HE           17 ALA  MB          3.00    (#   2148:20  Unique         2.53, 4.09 A)
 &rst
  ixpk= 2148, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1238,1239,1240,
 igr2= 248, 249, 250,
 &end
#
#    0 AMB  20-2:2149     3 ILE  QG2         5.50    (#   2149:20  Single Ambig)
 &rst
  ixpk= 2149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  15,  16,  17,2249,
 igr2=  39,  40,  41,
 &end
#
#    0 AMB  20-2:2150     3 ILE  QG2         3.00    (#   2150:20  Single Ambig)
 &rst
  ixpk= 2150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=  37,  43,  44,
 igr2=  39,  40,  41,
 &end
#
#   79 LEU  HB+           3 ILE  QG2         4.50    (#   2151:20  Unique         2.35, 4.26 A)
 &rst
  ixpk= 2151, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1167,1168,
 igr2=  39,  40,  41,
 &end
#
#   79 LEU  HG            3 ILE  QG2         3.50    (#   2152:20  Unique         2.54, 3.81 A)
 &rst
  ixpk= 2152, nxpk= 20, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  39,  40,  41,
 &end
#
#    3 ILE  HG1+          3 ILE  QG2         3.00    (#   2153:20  Unique         2.64, 3.60 A)
 &rst
  ixpk= 2153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  43,  44,
 igr2=  39,  40,  41,
 &end
#
#    3 ILE  QD1           3 ILE  QG2         3.00    (#   2154:20  Unique         2.22, 3.75 A)
 &rst
  ixpk= 2154, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=  46,  47,  48,
 igr2=  39,  40,  41,
 &end
#
#    0 AMB  20-2:2155     3 ILE  QG2         4.50    (#   2155:20  Single Ambig)
 &rst
  ixpk= 2155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1205,  58,  59,  60,
 igr2=  39,  40,  41,
 &end
#
#   81 LEU  MD1           3 ILE  QG2         3.50    (#   2156:20  Unique         2.57, 4.19 A)
 &rst
  ixpk= 2156, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1207,1208,1209,
 igr2=  39,  40,  41,
 &end
#
#   16 MET  HG-          16 MET  HE1         3.00    (#   2160:20  Unique         2.65, 3.77 A)
 &rst
  ixpk= 2160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 234, 235,
 igr2= 238, 239, 240,
 &end
#
#   51 ALA  HA           16 MET  HE1         4.50    (#   2161:20  Unique         3.23, 4.10 A)
 &rst
  ixpk= 2161, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 238, 239, 240,
 &end
#
#   16 MET  HA           16 MET  HE1         4.50    (#   2162:20  Unique         4.44, 5.13 A)
 &rst
  ixpk= 2162, nxpk= 20, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 238, 239, 240,
 &end
#
#  127 TYR  HA           16 MET  HE1         4.50    (#   2163:20  Unique         3.08, 4.34 A)
 &rst
  ixpk= 2163, nxpk= 20, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 238, 239, 240,
 &end
#
#    0 AMB  20-2:2164    16 MET  HE1         4.50    (#   2164:20  Single Ambig)
 &rst
  ixpk= 2164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1925,1926, 180,
 igr2= 238, 239, 240,
 &end
#
#    0 AMB  20-2:2165    16 MET  HE1         4.50    (#   2165:20  Single Ambig)
 &rst
  ixpk= 2165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1925,1926,1999,2000,
 igr2= 238, 239, 240,
 &end
#
#    0 AMB  20-2:2167    16 MET  HE1         3.00    (#   2167:20  Single Ambig)
 &rst
  ixpk= 2167, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 231, 232,1999,2000, 185, 186,
 igr2= 238, 239, 240,
 &end
#
#    0 AMB  20-2:2168    16 MET  HE1         3.50    (#   2168:20  Single Ambig)
 &rst
  ixpk= 2168, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 745, 746, 747,2002,2003,
 igr2= 238, 239, 240,
 &end
#
#   54 ALA  MB           16 MET  HE1         3.50    (#   2169:20  Unique         2.93, 4.45 A)
 &rst
  ixpk= 2169, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 786, 787, 788,
 igr2= 238, 239, 240,
 &end
#
#  119 PRO  HG+          16 MET  HE1         5.50    (#   2170:20  Unique         2.76, 4.89 A)
 &rst
  ixpk= 2170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1816,1817,
 igr2= 238, 239, 240,
 &end
#
#  119 PRO  HG-          16 MET  HE1         5.50    (#   2171:20  Unique         2.76, 4.89 A)
 &rst
  ixpk= 2171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1816,1817,
 igr2= 238, 239, 240,
 &end
#
#  130 THR  MG2          16 MET  HE1         3.00    (#   2172:20  Unique         2.24, 3.81 A)
 &rst
  ixpk= 2172, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1987,1988,1989,
 igr2= 238, 239, 240,
 &end
#
#  134 LEU  MD1          16 MET  HE1         4.50    (#   2173:20  Unique         5.36, 7.00 A)
 &rst
  ixpk= 2173, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=2055,2056,2057,
 igr2= 238, 239, 240,
 &end
#
#   62 LEU  QD1          16 MET  HE1         5.50    (#   2174:20  Unique         4.62, 6.18 A)
 &rst
  ixpk= 2174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 923, 924, 925,
 igr2= 238, 239, 240,
 &end
#
#   21 PHE  HA           24 ILE  QD1         4.50    (#   2176:20  Unique         2.83, 4.20 A)
 &rst
  ixpk= 2176, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 364, 365, 366,
 &end
#
#  139 ARG  HA           24 ILE  QD1         3.50    (#   2177:20  Unique         2.60, 3.75 A)
 &rst
  ixpk= 2177, nxpk= 20, iat=2135,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 364, 365, 366,
 &end
#
#   20 LEU  HA           24 ILE  QD1         5.50    (#   2178:20  Unique         4.35, 5.57 A)
 &rst
  ixpk= 2178, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 364, 365, 366,
 &end
#
#    0 AMB  20-2:2179    24 ILE  QD1         4.50    (#   2179:20  Single Ambig)
 &rst
  ixpk= 2179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 353, 246,
 igr2= 364, 365, 366,
 &end
#
#  135 GLU  HG+          24 ILE  QD1         3.50    (#   2180:20  Unique         2.21, 3.84 A)
 &rst
  ixpk= 2180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2072,2073,
 igr2= 364, 365, 366,
 &end
#
#    0 AMB  20-2:2181    24 ILE  QD1         3.00    (#   2181:20  Single Ambig)
 &rst
  ixpk= 2181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 361, 362,2137,2138, 283, 284,
 igr2= 364, 365, 366,
 &end
#
#    0 AMB  20-2:2182    24 ILE  QD1         3.00    (#   2182:20  Single Ambig)
 &rst
  ixpk= 2182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=2140,2141, 355,
 igr2= 364, 365, 366,
 &end
#
#   24 ILE  HG1+         24 ILE  QD1         3.00    (#   2183:20  Unique         2.40, 2.66 A)
 &rst
  ixpk= 2183, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 361, 362,
 igr2= 364, 365, 366,
 &end
#
#    0 AMB  20-2:2184    74 MET  HE          5.50    (#   2184:20  Single Ambig)
 &rst
  ixpk= 2184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1051,1369,
 igr2=1109,1110,1111,
 &end
#
#  101 LYS  HB+          74 MET  HE          4.50    (#   2185:20  Unique         2.26, 5.04 A)
 &rst
  ixpk= 2185, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1536,1537,
 igr2=1109,1110,1111,
 &end
#
#  101 LYS  HB-          74 MET  HE          4.50    (#   2186:20  Unique         2.26, 5.04 A)
 &rst
  ixpk= 2186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1536,1537,
 igr2=1109,1110,1111,
 &end
#
#    0 AMB  20-2:2187    74 MET  HE          3.00    (#   2187:20  Single Ambig)
 &rst
  ixpk= 2187, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1479,1480,1428,1429,
 igr2=1109,1110,1111,
 &end
#
#   74 MET  HG+          74 MET  HE          3.50    (#   2188:20  Unique         2.56, 3.69 A)
 &rst
  ixpk= 2188, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1105,1106,
 igr2=1109,1110,1111,
 &end
#
#  102 VAL  MG2          74 MET  HE          4.50    (#   2189:20  Unique         2.59, 4.57 A)
 &rst
  ixpk= 2189, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1564,1565,1566,
 igr2=1109,1110,1111,
 &end
#
#    0 AMB  20-2:2190    74 MET  HE          3.50    (#   2190:20  Single Ambig)
 &rst
  ixpk= 2190, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1545,1546,1428,1429,
 igr2=1109,1110,1111,
 &end
#
#   98 TYR  HB+          74 MET  HE          3.50    (#   2191:20  Unique         2.32, 3.50 A)
 &rst
  ixpk= 2191, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1479,1480,
 igr2=1109,1110,1111,
 &end
#
#    0 AMB  20-2:2192    74 MET  HE          4.50    (#   2192:20  Single Ambig)
 &rst
  ixpk= 2192, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1186,1377,1378,
 igr2=1109,1110,1111,
 &end
#
#   91 ILE  QG2          74 MET  HE          4.50    (#   2193:20  Unique         3.34, 4.30 A)
 &rst
  ixpk= 2193, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1373,1374,1375,
 igr2=1109,1110,1111,
 &end
#
#   80 VAL  MG2          74 MET  HE          3.50    (#   2194:20  Unique         2.34, 4.17 A)
 &rst
  ixpk= 2194, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1192,1193,1194,
 igr2=1109,1110,1111,
 &end
#
#   88 LYS  HA           91 ILE  QD1         4.50    (#   2195:20  Unique         2.20, 3.42 A)
 &rst
  ixpk= 2195, nxpk= 20, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1380,1381,1382,
 &end
#
#  102 VAL  HB           91 ILE  QD1         5.50    (#   2196:20  Unique         3.59, 5.50 A)
 &rst
  ixpk= 2196, nxpk= 20, iat=1558,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1380,1381,1382,
 &end
#
#   91 ILE  HB           91 ILE  QD1         3.50    (#   2197:20  Unique         2.34, 3.05 A)
 &rst
  ixpk= 2197, nxpk= 20, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1380,1381,1382,
 &end
#
#    6 VAL  HB           91 ILE  QD1         4.50    (#   2198:20  Unique         4.19, 5.03 A)
 &rst
  ixpk= 2198, nxpk= 20, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1380,1381,1382,
 &end
#
#   91 ILE  QG2          91 ILE  QD1         3.00    (#   2199:20  Unique         2.17, 3.81 A)
 &rst
  ixpk= 2199, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1373,1374,1375,
 igr2=1380,1381,1382,
 &end
#
#  102 VAL  MG2          91 ILE  QD1         3.00    (#   2200:20  Unique         3.31, 4.84 A)
 &rst
  ixpk= 2200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1564,1565,1566,
 igr2=1380,1381,1382,
 &end
#
#   82 ALA  MB           91 ILE  QD1         3.50    (#   2201:20  Unique         2.44, 3.71 A)
 &rst
  ixpk= 2201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1221,1222,1223,
 igr2=1380,1381,1382,
 &end
#
#   50 HIS  HA          124 ILE  QD1         4.50    (#   2202:20  Unique         2.51, 3.74 A)
 &rst
  ixpk= 2202, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1884,1885,1886,
 &end
#
#   54 ALA  HA          124 ILE  QD1         5.50    (#   2203:20  Unique         2.32, 3.32 A)
 &rst
  ixpk= 2203, nxpk= 20, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1884,1885,1886,
 &end
#
#   53 GLU  HG+         124 ILE  QD1         5.50    (#   2205:20  Unique         2.57, 4.02 A)
 &rst
  ixpk= 2205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 774, 775,
 igr2=1884,1885,1886,
 &end
#
#   53 GLU  HB+         124 ILE  QD1         3.50    (#   2206:20  Unique         2.21, 4.05 A)
 &rst
  ixpk= 2206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 771, 772,
 igr2=1884,1885,1886,
 &end
#
#    0 AMB  20-2:2207   124 ILE  QD1         3.50    (#   2207:20  Single Ambig)
 &rst
  ixpk= 2207, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 771, 772,1946,1947,
 igr2=1884,1885,1886,
 &end
#
#  131 ARG  HB-         124 ILE  QD1         7.00    (#   2208:20  Unique         6.11, 7.84 A)
 &rst
  ixpk= 2208, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1999,2000,
 igr2=1884,1885,1886,
 &end
#
#    0 AMB  20-2:2209   124 ILE  QD1         3.00    (#   2209:20  Single Ambig)
 &rst
  ixpk= 2209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1881,1882,1875,
 igr2=1884,1885,1886,
 &end
#
#  124 ILE  HG1+        124 ILE  QD1         3.00    (#   2210:20  Unique         2.34, 2.66 A)
 &rst
  ixpk= 2210, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1881,1882,
 igr2=1884,1885,1886,
 &end
#
#  127 TYR  HB-         124 ILE  QD1         5.50    (#   2212:20  Unique         2.42, 3.98 A)
 &rst
  ixpk= 2212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1925,1926,
 igr2=1884,1885,1886,
 &end
#
#  127 TYR  HB+         124 ILE  QD1         5.50    (#   2214:20  Unique         2.42, 3.98 A)
 &rst
  ixpk= 2214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1925,1926,
 igr2=1884,1885,1886,
 &end
#
#   79 LEU  HB+           3 ILE  QD1         4.50    (#   2217:20  Unique         4.06, 5.14 A)
 &rst
  ixpk= 2217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1167,1168,
 igr2=  46,  47,  48,
 &end
#
#    0 AMB  20-2:2218     3 ILE  QD1         3.00    (#   2218:20  Single Ambig)
 &rst
  ixpk= 2218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=  43,  44,  37,
 igr2=  46,  47,  48,
 &end
#
#   34 VAL  MG1           3 ILE  QD1         3.50    (#   2219:20  Unique         2.32, 3.91 A)
 &rst
  ixpk= 2219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 510, 511, 512,
 igr2=  46,  47,  48,
 &end
#
#    0 AMB  20-2:2220     3 ILE  QD1         3.50    (#   2220:20  Single Ambig)
 &rst
  ixpk= 2220, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 484, 485, 486,2183,2184,2185,
 igr2=  46,  47,  48,
 &end
#
#   81 LEU  MD1           3 ILE  QD1         3.50    (#   2221:20  Unique         3.63, 5.62 A)
 &rst
  ixpk= 2221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1207,1208,1209,
 igr2=  46,  47,  48,
 &end
#
#    0 AMB  20-2:2222     4 ILE  QD1         4.50    (#   2222:20  Single Ambig)
 &rst
  ixpk= 2222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1081,1134,1135,
 igr2=  65,  66,  67,
 &end
#
#    0 AMB  20-2:2223     4 ILE  QD1         5.50    (#   2223:20  Single Ambig)
 &rst
  ixpk= 2223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 527, 528, 524, 525,
 igr2=  65,  66,  67,
 &end
#
#    0 AMB  20-2:2224     4 ILE  QD1         3.50    (#   2224:20  Single Ambig)
 &rst
  ixpk= 2224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1083,1084,1109,1110,1111,1542,1543,
 igr2=  65,  66,  67,
 &end
#
#    4 ILE  HB            4 ILE  QD1         4.50    (#   2225:20  Unique         2.41, 3.01 A)
 &rst
  ixpk= 2225, nxpk= 20, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  65,  66,  67,
 &end
#
#    4 ILE  HG1-          4 ILE  QD1         3.00    (#   2226:20  Unique         2.40, 2.66 A)
 &rst
  ixpk= 2226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  62,  63,
 igr2=  65,  66,  67,
 &end
#
#   77 ALA  MB            4 ILE  QD1         3.00    (#   2227:20  Unique         2.27, 3.38 A)
 &rst
  ixpk= 2227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1145,1146,1147,
 igr2=  65,  66,  67,
 &end
#
#   73 LEU  MD2           4 ILE  QD1         3.50    (#   2228:20  Unique         2.99, 4.57 A)
 &rst
  ixpk= 2228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1092,1093,1094,
 igr2=  65,  66,  67,
 &end
#
#   73 LEU  MD1           4 ILE  QD1         3.00    (#   2229:20  Unique         3.36, 4.80 A)
 &rst
  ixpk= 2229, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1088,1089,1090,
 igr2=  65,  66,  67,
 &end
#
#    3 ILE  QG2           3 ILE  QD1         3.00    (#   2230:20  Unique         2.22, 3.75 A)
 &rst
  ixpk= 2230, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=  39,  40,  41,
 igr2=  46,  47,  48,
 &end
#
#    1 MET  HG+           3 ILE  QD1         4.50    (#   2231:20  Unique         2.83, 4.33 A)
 &rst
  ixpk= 2231, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  11,  12,
 igr2=  46,  47,  48,
 &end
#
#    1 MET  HE            3 ILE  QD1         3.50    (#   2232:20  Unique         2.62, 4.73 A)
 &rst
  ixpk= 2232, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  15,  16,  17,
 igr2=  46,  47,  48,
 &end
#
#  141 LEU  HG            3 ILE  QD1         5.50    (#   2233:20  Unique         4.86, 5.95 A)
 &rst
  ixpk= 2233, nxpk= 20, iat=2181,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  46,  47,  48,
 &end
#
#   87 HIS  HA           90 ILE  QD1         3.50    (#   2234:20  Unique         2.27, 3.49 A)
 &rst
  ixpk= 2234, nxpk= 20, iat=1294,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1361,1362,1363,
 &end
#
#   90 ILE  HA           90 ILE  QD1         4.50    (#   2235:20  Unique         4.60, 4.70 A)
 &rst
  ixpk= 2235, nxpk= 20, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1361,1362,1363,
 &end
#
#   86 GLN  HG+          90 ILE  QD1         5.50    (#   2236:20  Unique         2.38, 3.69 A)
 &rst
  ixpk= 2236, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1282,1283,
 igr2=1361,1362,1363,
 &end
#
#   86 GLN  HG-          90 ILE  QD1         4.50    (#   2237:20  Unique         2.38, 3.69 A)
 &rst
  ixpk= 2237, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1282,1283,
 igr2=1361,1362,1363,
 &end
#
#   89 GLN  HB-          90 ILE  QD1         5.50    (#   2238:20  Unique         5.25, 6.35 A)
 &rst
  ixpk= 2238, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1335,1336,
 igr2=1361,1362,1363,
 &end
#
#    0 AMB  20-2:2239    90 ILE  QD1         3.00    (#   2239:20  Single Ambig)
 &rst
  ixpk= 2239, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1358,1359,1352,
 igr2=1361,1362,1363,
 &end
#
#    8 THR  MG2          90 ILE  QD1         3.50    (#   2240:20  Unique         3.49, 4.65 A)
 &rst
  ixpk= 2240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 124, 125, 126,
 igr2=1361,1362,1363,
 &end
#
#   90 ILE  HG1+         90 ILE  QD1         3.00    (#   2241:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 2241, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1358,1359,
 igr2=1361,1362,1363,
 &end
#
#   39 VAL  MG1          90 ILE  QD1         3.50    (#   2242:20  Unique         3.01, 5.16 A)
 &rst
  ixpk= 2242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 578, 579, 580,
 igr2=1361,1362,1363,
 &end
#
#   39 VAL  MG2          90 ILE  QD1         3.50    (#   2243:20  Unique         2.53, 5.18 A)
 &rst
  ixpk= 2243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 582, 583, 584,
 igr2=1361,1362,1363,
 &end
#
#    0 AMB  20-2:2245    60 ILE  QD1         4.50    (#   2245:20  Single Ambig)
 &rst
  ixpk= 2245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 887, 848,
 igr2= 898, 899, 900,
 &end
#
#    0 AMB  20-2:2246    60 ILE  QD1         3.00    (#   2246:20  Single Ambig)
 &rst
  ixpk= 2246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 281, 794,
 igr2= 898, 899, 900,
 &end
#
#    0 AMB  20-2:2247    60 ILE  QD1         3.50    (#   2247:20  Single Ambig)
 &rst
  ixpk= 2247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 796, 797, 799,
 igr2= 898, 899, 900,
 &end
#
#    0 AMB  20-2:2248    60 ILE  QD1         3.00    (#   2248:20  Single Ambig)
 &rst
  ixpk= 2248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 856, 857, 895, 896, 889,
 igr2= 898, 899, 900,
 &end
#
#    0 AMB  20-2:2249    60 ILE  QD1         4.50    (#   2249:20  Single Ambig)
 &rst
  ixpk= 2249, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 283, 284, 918, 919,
 igr2= 898, 899, 900,
 &end
#
#   58 LYS  HB+          60 ILE  QD1         4.50    (#   2250:20  Unique         2.35, 4.19 A)
 &rst
  ixpk= 2250, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 850, 851,
 igr2= 898, 899, 900,
 &end
#
#    0 AMB  20-2:2251    60 ILE  QD1         4.50    (#   2251:20  Single Ambig)
 &rst
  ixpk= 2251, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 856, 857, 850, 851,
 igr2= 898, 899, 900,
 &end
#
#    0 AMB  20-2:2254   126 ILE  QD1         5.50    (#   2254:20  Single Ambig)
 &rst
  ixpk= 2254, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1892,1822,
 igr2=1915,1916,1917,
 &end
#
#  126 ILE  HA          126 ILE  QD1         3.50    (#   2255:20  Unique         2.30, 3.10 A)
 &rst
  ixpk= 2255, nxpk= 20, iat=1904,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1915,1916,1917,
 &end
#
#  129 GLN  HB-         126 ILE  QD1         5.50    (#   2256:20  Unique         4.36, 5.84 A)
 &rst
  ixpk= 2256, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1968,1969,
 igr2=1915,1916,1917,
 &end
#
#    0 AMB  20-2:2257   126 ILE  QD1         4.50    (#   2257:20  Single Ambig)
 &rst
  ixpk= 2257, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1906,1968,1969,
 igr2=1915,1916,1917,
 &end
#
#  126 ILE  HG1-        126 ILE  QD1         3.50    (#   2258:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 2258, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1912,1913,
 igr2=1915,1916,1917,
 &end
#
#  117 LEU  HG          126 ILE  QD1         5.50    (#   2259:20  Unique         5.49, 6.85 A)
 &rst
  ixpk= 2259, nxpk= 20, iat=1788,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1915,1916,1917,
 &end
#
#  126 ILE  QG2         126 ILE  QD1         3.00    (#   2261:20  Unique         2.20, 3.79 A)
 &rst
  ixpk= 2261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1=1908,1909,1910,
 igr2=1915,1916,1917,
 &end
#
#    1 MET  HE           79 LEU  HB+         5.50    (#   2262:20  Unique         2.22, 3.55 A)
 &rst
  ixpk= 2262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  15,  16,  17,
 igr2=1167,1168,
 &end
#
#    3 ILE  HG1-         79 LEU  HB+         4.50    (#   2263:20  Unique         2.25, 3.58 A)
 &rst
  ixpk= 2263, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  43,  44,
 igr2=1167,1168,
 &end
#
#   79 LEU  HG           79 LEU  HB+         3.00    (#   2264:20  Unique         2.50, 2.79 A)
 &rst
  ixpk= 2264, nxpk= 20, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1167,1168,
 &end
#
#    3 ILE  HG1+         79 LEU  HB+         4.50    (#   2265:20  Unique         2.25, 3.58 A)
 &rst
  ixpk= 2265, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  43,  44,
 igr2=1167,1168,
 &end
#
#   79 LEU  MD2          79 LEU  HB+         3.50    (#   2266:20  Unique         2.42, 3.13 A)
 &rst
  ixpk= 2266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1176,1177,1178,
 igr2=1167,1168,
 &end
#
#   79 LEU  MD1          79 LEU  HB+         3.50    (#   2267:20  Unique         2.43, 3.52 A)
 &rst
  ixpk= 2267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1172,1173,1174,
 igr2=1167,1168,
 &end
#
#  105 LEU  HN          104 THR  HA          5.50    (#   2268:20  Unique         2.32, 2.34 A)
 &rst
  ixpk= 2268, nxpk= 20, iat=1604,1592, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  103 PHE  HN          102 VAL  HA          4.50    (#   2269:20  Unique         2.16, 2.19 A)
 &rst
  ixpk= 2269, nxpk= 20, iat=1570,1556, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 CYS  HN            6 VAL  HA          3.50    (#   2270:20  Unique         2.02, 2.07 A)
 &rst
  ixpk= 2270, nxpk= 20, iat= 107,  93, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2271    34 VAL  HA          5.50    (#   2271:20  Single Ambig)
 &rst
  ixpk= 2271, nxpk= 20, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  33, 504,
 &end
#
#   35 ARG  HN           34 VAL  HA          3.50    (#   2272:20  Unique         2.14, 2.27 A)
 &rst
  ixpk= 2272, nxpk= 20, iat= 520, 506, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2273    36 SER  HA          4.50    (#   2273:20  Single Ambig)
 &rst
  ixpk= 2273, nxpk= 20, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 555, 544,
 &end
#
#    6 VAL  HN            5 PHE  HA          4.50    (#   2274:20  Unique         2.26, 2.28 A)
 &rst
  ixpk= 2274, nxpk= 20, iat=  91,  73, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 PHE  QD            5 PHE  HA          4.50    (#   2275:20  Unique         2.65, 3.52 A)
 &rst
  ixpk= 2275, nxpk= 20, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  79,  87,
 &end
#
#   98 TYR  QD           98 TYR  HA          4.50    (#   2276:20  Unique         2.21, 3.48 A)
 &rst
  ixpk= 2276, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1483,1492,
 &end
#
#   40 PHE  QD           40 PHE  HA          4.50    (#   2277:20  Unique         2.34, 3.55 A)
 &rst
  ixpk= 2277, nxpk= 20, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 596, 604,
 &end
#
#   96 GLY  HN           95 PHE  HA          5.50    (#   2278:20  Unique         3.35, 3.39 A)
 &rst
  ixpk= 2278, nxpk= 20, iat=1444,1426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 PHE  QD           95 PHE  HA          4.50    (#   2279:20  Unique         2.08, 3.39 A)
 &rst
  ixpk= 2279, nxpk= 20, iat=  -1,1426, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1432,1440,
 &end
#
#   47 ALA  HN           46 LYS  HA          5.50    (#   2280:20  Unique         2.04, 2.29 A)
 &rst
  ixpk= 2280, nxpk= 20, iat= 686, 666, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 SER  HN           35 ARG  HA          4.50    (#   2281:20  Unique         2.35, 2.44 A)
 &rst
  ixpk= 2281, nxpk= 20, iat= 544, 522, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 ARG  HN           35 ARG  HA          5.50    (#   2282:20  Unique         2.94, 2.95 A)
 &rst
  ixpk= 2282, nxpk= 20, iat= 520, 522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 ILE  HN            2 ASP  HA          3.00    (#   2283:20  Unique         2.19, 2.22 A)
 &rst
  ixpk= 2283, nxpk= 20, iat=  33,  23, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  116 VAL  HN          115 ASP  HA          2.60    (#   2284:20  Unique         2.31, 2.43 A)
 &rst
  ixpk= 2284, nxpk= 20, iat=1765,1755, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#   34 VAL  HN           33 ASN  HA          3.00    (#   2286:20  Unique         2.25, 2.35 A)
 &rst
  ixpk= 2286, nxpk= 20, iat= 504, 492, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  113 HIS  HA          113 HIS  HB-         2.60    (#   2287:20  Unique         2.36, 2.56 A)
 &rst
  ixpk= 2287, nxpk= 20, iat=1731,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2=1733,1734,
 &end
#
#    0 AMB  20-2:2289    82 ALA  HA          3.50    (#   2289:20  Single Ambig)
 &rst
  ixpk= 2289, nxpk= 20, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1227,  91,
 &end
#
#    0 AMB  20-2:2301   131 ARG  QD          4.50    (#   2301:20  Single Ambig)
 &rst
  ixpk= 2301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1985, 784,
 igr2=2005,2006,
 &end
#
#  149 ARG  HA          149 ARG  HD+         4.50    (#   2302:20  Unique         2.44, 4.19 A)
 &rst
  ixpk= 2302, nxpk= 20, iat=2319,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2327,2328,
 &end
#
#    0 AMB  20-2:2303     0 AMB  20-1:2303   3.80    (#   2303:20  Double Ambig)
 &rst
  ixpk= 2303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1=2343,2082,
 igr2=2351,2352,2143,2144,2327,2328,
 &end
#
#    0 AMB  20-2:2304     0 AMB  20-1:2304   4.50    (#   2304:20  Double Ambig)
 &rst
  ixpk= 2304, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 271,2263,
 igr2= 331, 332,2274,2275,
 &end
#
#  144 GLN  HA          147 LYS  HE+         5.50    (#   2305:20  Unique         2.50, 3.65 A)
 &rst
  ixpk= 2305, nxpk= 20, iat=2227,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2296,2297,
 &end
#
#    0 AMB  20-2:2306     0 AMB  20-1:2306   5.50    (#   2306:20  Double Ambig)
 &rst
  ixpk= 2306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=2205,1783,
 igr2=2274,2275,1804,1805,
 &end
#
#   56 PHE  HA           56 PHE  HB-         3.50    (#   2307:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 2307, nxpk= 20, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 815, 816,
 &end
#
#   53 GLU  HA           56 PHE  HB+         3.50    (#   2308:20  Unique         2.26, 2.79 A)
 &rst
  ixpk= 2308, nxpk= 20, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 815, 816,
 &end
#
#   44 ASN  HA           44 ASN  HB+         3.50    (#   2309:20  Unique         2.18, 2.63 A)
 &rst
  ixpk= 2309, nxpk= 20, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 647, 648,
 &end
#
#  113 HIS  HA          113 HIS  HB+         2.60    (#   2310:20  Unique         2.36, 2.56 A)
 &rst
  ixpk= 2310, nxpk= 20, iat=1731,  -1, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr2=1733,1734,
 &end
#
#   59 HIS  HA           59 HIS  HB+         4.50    (#   2311:20  Unique         2.31, 2.72 A)
 &rst
  ixpk= 2311, nxpk= 20, iat= 870,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 872, 873,
 &end
#
#   59 HIS  HA           59 HIS  HB-         4.50    (#   2312:20  Unique         2.31, 2.72 A)
 &rst
  ixpk= 2312, nxpk= 20, iat= 870,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 872, 873,
 &end
#
#  113 HIS  HN          112 SER  HA          2.30    (#   2314:20  Unique         2.21, 2.29 A)
 &rst
  ixpk= 2314, nxpk= 20, iat=1729,1720, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  112 SER  HB+         112 SER  HA          2.80    (#   2315:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 2315, nxpk= 20, iat=  -1,1720, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1722,1723,
 &end
#
#  112 SER  HB-         112 SER  HA          2.80    (#   2316:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 2316, nxpk= 20, iat=  -1,1720, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1722,1723,
 &end
#
#  114 GLY  HN          113 HIS  HA          2.30    (#   2317:20  Unique         2.20, 2.27 A)
 &rst
  ixpk= 2317, nxpk= 20, iat=1746,1731, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  113 HIS  HD2         113 HIS  HA          4.60    (#   2319:20  Unique         2.56, 4.60 A)
 &rst
  ixpk= 2319, nxpk= 20, iat=1742,1731, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#    0 AMB  20-2:2322     0 AMB  20-1:2322   3.50    (#   2322:20  Double Ambig)
 &rst
  ixpk= 2322, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1649,1650, 771, 772,
 igr2=1731, 726,
 &end
#
#    0 AMB  20-2:2323     0 AMB  20-1:2323   4.50    (#   2323:20  Double Ambig)
 &rst
  ixpk= 2323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1649,1650, 771, 772,
 igr2=1731, 726,
 &end
#
#  115 ASP  HB+         115 ASP  HA          2.80    (#   2328:20  Unique         2.45, 2.78 A)
 &rst
  ixpk= 2328, nxpk= 20, iat=  -1,1755, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1757,1758,
 &end
#
#  115 ASP  HB-         115 ASP  HA          2.80    (#   2329:20  Unique         2.45, 2.78 A)
 &rst
  ixpk= 2329, nxpk= 20, iat=  -1,1755, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1757,1758,
 &end
#
#  116 VAL  MG2         115 ASP  HA          5.50    (#   2330:20  Unique         3.45, 4.67 A)
 &rst
  ixpk= 2330, nxpk= 20, iat=  -1,1755, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1775,1776,1777,
 &end
#
#  115 ASP  HN          115 ASP  HA          2.90    (#   2331:20  Unique         2.90, 2.96 A)
 &rst
  ixpk= 2331, nxpk= 20, iat=1753,1755, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  116 VAL  HN          116 VAL  HA          5.50    (#   2332:20  Unique         2.90, 2.95 A)
 &rst
  ixpk= 2332, nxpk= 20, iat=1765,1767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106 LYS  HE+         116 VAL  HA          5.50    (#   2333:20  Unique         2.42, 3.65 A)
 &rst
  ixpk= 2333, nxpk= 20, iat=  -1,1767, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1636,1637,
 &end
#
#  106 LYS  HE-         116 VAL  HA          5.50    (#   2334:20  Unique         2.42, 3.65 A)
 &rst
  ixpk= 2334, nxpk= 20, iat=  -1,1767, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1636,1637,
 &end
#
#  117 LEU  HB+         116 VAL  HA          5.50    (#   2335:20  Unique         3.75, 4.81 A)
 &rst
  ixpk= 2335, nxpk= 20, iat=  -1,1767, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1785,1786,
 &end
#
#  116 VAL  HB          116 VAL  HA          5.50    (#   2336:20  Unique         2.97, 3.03 A)
 &rst
  ixpk= 2336, nxpk= 20, iat=1769,1767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2337   116 VAL  HA          5.50    (#   2337:20  Single Ambig)
 &rst
  ixpk= 2337, nxpk= 20, iat=  -1,1767, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1785,1786,1633,1634,
 &end
#
#    0 AMB  20-2:2338   116 VAL  HA          5.50    (#   2338:20  Single Ambig)
 &rst
  ixpk= 2338, nxpk= 20, iat=  -1,1767, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1611,1790,1791,1792,
 &end
#
#    0 AMB  20-2:2339     0 AMB  20-1:2339   4.50    (#   2339:20  Double Ambig)
 &rst
  ixpk= 2339, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 813,1767, 887,
 igr2= 870,1783,
 &end
#
#  118 ASP  HB-         117 LEU  HA          5.50    (#   2340:20  Unique         4.44, 4.70 A)
 &rst
  ixpk= 2340, nxpk= 20, iat=  -1,1783, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1804,1805,
 &end
#
#  117 LEU  HG          117 LEU  HA          5.50    (#   2341:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 2341, nxpk= 20, iat=1788,1783, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  117 LEU  MD1         117 LEU  HA          4.50    (#   2342:20  Unique         3.24, 4.50 A)
 &rst
  ixpk= 2342, nxpk= 20, iat=  -1,1783, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1790,1791,1792,
 &end
#
#  116 VAL  MG1         117 LEU  HA          5.50    (#   2343:20  Unique         4.39, 5.48 A)
 &rst
  ixpk= 2343, nxpk= 20, iat=  -1,1783, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1771,1772,1773,
 &end
#
#  116 VAL  HA          117 LEU  HB+         5.50    (#   2344:20  Unique         3.75, 4.81 A)
 &rst
  ixpk= 2344, nxpk= 20, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1785,1786,
 &end
#
#  130 THR  HA          117 LEU  HB+         5.50    (#   2345:20  Unique         2.46, 3.47 A)
 &rst
  ixpk= 2345, nxpk= 20, iat=1983,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1785,1786,
 &end
#
#  130 THR  HA          117 LEU  HB-         5.50    (#   2346:20  Unique         2.46, 3.47 A)
 &rst
  ixpk= 2346, nxpk= 20, iat=1983,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1785,1786,
 &end
#
#    0 AMB  20-2:2347     0 AMB  20-1:2347   5.50    (#   2347:20  Double Ambig)
 &rst
  ixpk= 2347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1800,1981,
 igr2=1785,1786,1785,1786,
 &end
#
#    0 AMB  20-2:2348   117 LEU  HB-         5.50    (#   2348:20  Single Ambig)
 &rst
  ixpk= 2348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1800,1981,
 igr2=1785,1786,
 &end
#
#  117 LEU  HA          117 LEU  HG          5.50    (#   2349:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 2349, nxpk= 20, iat=1783,1788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2350     0 AMB  20-1:2350   5.50    (#   2350:20  Double Ambig)
 &rst
  ixpk= 2350, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1800, 933,
 igr2=1788, 921,
 &end
#
#  117 LEU  HN          117 LEU  HG          5.50    (#   2351:20  Unique         3.69, 4.34 A)
 &rst
  ixpk= 2351, nxpk= 20, iat=1781,1788, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  118 ASP  HB-         118 ASP  HA          7.00    (#   2352:20  Unique         2.36, 2.70 A)
 &rst
  ixpk= 2352, nxpk= 20, iat=  -1,1802, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1804,1805,
 &end
#
#  118 ASP  HB+         118 ASP  HA          5.50    (#   2353:20  Unique         2.36, 2.70 A)
 &rst
  ixpk= 2353, nxpk= 20, iat=  -1,1802, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1804,1805,
 &end
#
#  130 THR  MG2         118 ASP  HA          5.50    (#   2354:20  Unique         4.31, 5.52 A)
 &rst
  ixpk= 2354, nxpk= 20, iat=  -1,1802, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1987,1988,1989,
 &end
#
#  118 ASP  HA          118 ASP  HB+         5.50    (#   2355:20  Unique         2.36, 2.70 A)
 &rst
  ixpk= 2355, nxpk= 20, iat=1802,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1804,1805,
 &end
#
#  118 ASP  HA          118 ASP  HB-         5.50    (#   2356:20  Unique         2.36, 2.70 A)
 &rst
  ixpk= 2356, nxpk= 20, iat=1802,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1804,1805,
 &end
#
#    0 AMB  20-2:2358   109 VAL  HB          5.50    (#   2358:20  Single Ambig)
 &rst
  ixpk= 2358, nxpk= 20, iat=  -1,1685, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2232,2233,2164,2165,
 &end
#
#    0 AMB  20-2:2361   109 VAL  MG2         5.50    (#   2361:20  Single Ambig)
 &rst
  ixpk= 2361, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2164,2165,1636,1637,
 igr2=1691,1692,1693,
 &end
#
#  108 TYR  HA          109 VAL  MG2         5.50    (#   2362:20  Unique         4.66, 5.50 A)
 &rst
  ixpk= 2362, nxpk= 20, iat=1662,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1691,1692,1693,
 &end
#
#  110 THR  HA          109 VAL  MG2         5.50    (#   2364:20  Unique         6.43, 6.67 A)
 &rst
  ixpk= 2364, nxpk= 20, iat=1699,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1691,1692,1693,
 &end
#
#  144 GLN  HE2+        109 VAL  MG2         5.50    (#   2365:20  Unique         2.54, 5.22 A)
 &rst
  ixpk= 2365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2237,2238,
 igr2=1691,1692,1693,
 &end
#
#  108 TYR  HD2         109 VAL  MG2         5.50    (#   2367:20  Unique         2.28, 3.00 A)
 &rst
  ixpk= 2367, nxpk= 20, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1691,1692,1693,
 &end
#
#  144 GLN  HE2-        109 VAL  MG2         5.50    (#   2369:20  Unique         2.54, 5.22 A)
 &rst
  ixpk= 2369, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2237,2238,
 igr2=1691,1692,1693,
 &end
#
#  106 LYS  HB+         109 VAL  MG2         5.50    (#   2371:20  Unique         5.89, 7.36 A)
 &rst
  ixpk= 2371, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1627,1628,
 igr2=1691,1692,1693,
 &end
#
#   24 ILE  HN           23 SER  HA          5.50    (#   2373:20  Unique         3.55, 3.57 A)
 &rst
  ixpk= 2373, nxpk= 20, iat= 351, 342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 LYS  HN           23 SER  HA          5.50    (#   2374:20  Unique         5.29, 5.32 A)
 &rst
  ixpk= 2374, nxpk= 20, iat= 318, 342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 LEU  HA           23 SER  HA          5.50    (#   2375:20  Unique         5.50, 5.52 A)
 &rst
  ixpk= 2375, nxpk= 20, iat= 281, 342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 ALA  HN           23 SER  HA          5.50    (#   2379:20  Unique         4.43, 4.45 A)
 &rst
  ixpk= 2379, nxpk= 20, iat= 370, 342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98 TYR  QD           95 PHE  HB-         5.50    (#   2380:20  Unique         2.61, 4.36 A)
 &rst
  ixpk= 2380, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1483,1492,
 igr2=1428,1429,
 &end
#
#   95 PHE  HA           95 PHE  HB-         5.50    (#   2381:20  Unique         2.49, 2.77 A)
 &rst
  ixpk= 2381, nxpk= 20, iat=1426,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1428,1429,
 &end
#
#    0 AMB  20-2:2385    95 PHE  HB-         4.50    (#   2385:20  Single Ambig)
 &rst
  ixpk= 2385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1369,1051,
 igr2=1428,1429,
 &end
#
#   74 MET  HE           95 PHE  HB-         5.50    (#   2388:20  Unique         3.19, 4.76 A)
 &rst
  ixpk= 2388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1109,1110,1111,
 igr2=1428,1429,
 &end
#
#   91 ILE  QG2          95 PHE  HB-         5.50    (#   2389:20  Unique         3.64, 5.03 A)
 &rst
  ixpk= 2389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1373,1374,1375,
 igr2=1428,1429,
 &end
#
#  123 SER  HB+         123 SER  HA          4.50    (#   2402:20  Unique         2.38, 2.47 A)
 &rst
  ixpk= 2402, nxpk= 20, iat=  -1,1862, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1864,1865,
 &end
#
#  123 SER  HB-         123 SER  HA          4.50    (#   2403:20  Unique         2.38, 2.47 A)
 &rst
  ixpk= 2403, nxpk= 20, iat=  -1,1862, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1864,1865,
 &end
#
#    0 AMB  20-2:2404   123 SER  HA          5.50    (#   2404:20  Single Ambig)
 &rst
  ixpk= 2404, nxpk= 20, iat=  -1,1862, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1875,1881,1882,
 &end
#
#    0 AMB  20-2:2405   123 SER  HA          5.50    (#   2405:20  Single Ambig)
 &rst
  ixpk= 2405, nxpk= 20, iat=  -1,1862, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1877,1878,1879,1884,1885,1886,
 &end
#
#  125 ASP  HN          123 SER  HA          5.50    (#   2406:20  Unique         4.22, 4.30 A)
 &rst
  ixpk= 2406, nxpk= 20, iat=1890,1862, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  124 ILE  HN          124 ILE  HA          5.50    (#   2408:20  Unique         2.79, 2.80 A)
 &rst
  ixpk= 2408, nxpk= 20, iat=1871,1873, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  108 TYR  HN          108 TYR  HA          4.50    (#   2409:20  Unique         2.79, 2.81 A)
 &rst
  ixpk= 2409, nxpk= 20, iat=1660,1662, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2410     0 AMB  20-1:2410   5.50    (#   2410:20  Double Ambig)
 &rst
  ixpk= 2410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1681,1890,
 igr2=1662,1873,
 &end
#
#    0 AMB  20-2:2411     0 AMB  20-1:2411   5.50    (#   2411:20  Double Ambig)
 &rst
  ixpk= 2411, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1929,1578,1586,2237,2238,
 igr2=1873,1662,
 &end
#
#  108 TYR  QE          108 TYR  HA          5.50    (#   2412:20  Unique         4.56, 5.25 A)
 &rst
  ixpk= 2412, nxpk= 20, iat=  -1,1662, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1670,1675,
 &end
#
#    0 AMB  20-2:2413   108 TYR  HA          4.50    (#   2413:20  Single Ambig)
 &rst
  ixpk= 2413, nxpk= 20, iat=  -1,1662, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1586,1668,
 &end
#
#    0 AMB  20-2:2415     0 AMB  20-1:2415   5.50    (#   2415:20  Double Ambig)
 &rst
  ixpk= 2415, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1683,1892,
 igr2=1662,1873,
 &end
#
#    0 AMB  20-2:2416     0 AMB  20-1:2416   7.00    (#   2416:20  Double Ambig)
 &rst
  ixpk= 2416, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1205,1819,1820,
 igr2=1662,1873,
 &end
#
#  124 ILE  QD1         124 ILE  HA          3.00    (#   2417:20  Unique         2.28, 3.03 A)
 &rst
  ixpk= 2417, nxpk= 20, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1884,1885,1886,
 &end
#
#  124 ILE  HG1+        124 ILE  HA          5.50    (#   2418:20  Unique         2.48, 3.47 A)
 &rst
  ixpk= 2418, nxpk= 20, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1881,1882,
 &end
#
#    0 AMB  20-2:2419   124 ILE  HA          3.50    (#   2419:20  Single Ambig)
 &rst
  ixpk= 2419, nxpk= 20, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1875,1881,1882,
 &end
#
#    0 AMB  20-2:2420     0 AMB  20-1:2420   5.50    (#   2420:20  Double Ambig)
 &rst
  ixpk= 2420, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 728,1649,1650, 771, 772, 774, 775,
 igr2=1873,1662,
 &end
#
#  127 TYR  HB-         124 ILE  HA          5.50    (#   2421:20  Unique         2.27, 3.40 A)
 &rst
  ixpk= 2421, nxpk= 20, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1925,1926,
 &end
#
#  108 TYR  HB-         108 TYR  HA          4.50    (#   2422:20  Unique         2.49, 2.77 A)
 &rst
  ixpk= 2422, nxpk= 20, iat=  -1,1662, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1664,1665,
 &end
#
#  127 TYR  HB+         124 ILE  HA          5.50    (#   2423:20  Unique         2.27, 3.40 A)
 &rst
  ixpk= 2423, nxpk= 20, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1925,1926,
 &end
#
#  107 GLU  HG+         108 TYR  HA          5.50    (#   2424:20  Unique         3.55, 4.40 A)
 &rst
  ixpk= 2424, nxpk= 20, iat=  -1,1662, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1652,1653,
 &end
#
#  124 ILE  HG1+        124 ILE  HB          5.50    (#   2425:20  Unique         2.37, 2.71 A)
 &rst
  ixpk= 2425, nxpk= 20, iat=  -1,1875, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1881,1882,
 &end
#
#  124 ILE  HA          124 ILE  HB          5.50    (#   2426:20  Unique         2.40, 2.44 A)
 &rst
  ixpk= 2426, nxpk= 20, iat=1873,1875, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  124 ILE  HA          124 ILE  HG1+        5.50    (#   2427:20  Unique         2.48, 3.47 A)
 &rst
  ixpk= 2427, nxpk= 20, iat=1873,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1881,1882,
 &end
#
#  125 ASP  HB-         124 ILE  QG2         5.50    (#   2429:20  Unique         3.58, 4.98 A)
 &rst
  ixpk= 2429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1894,1895,
 igr2=1877,1878,1879,
 &end
#
#  125 ASP  HB+         124 ILE  QG2         5.50    (#   2430:20  Unique         3.58, 4.98 A)
 &rst
  ixpk= 2430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1894,1895,
 igr2=1877,1878,1879,
 &end
#
#   53 GLU  HG+         124 ILE  QG2         5.50    (#   2431:20  Unique         4.55, 6.11 A)
 &rst
  ixpk= 2431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 774, 775,
 igr2=1877,1878,1879,
 &end
#
#  124 ILE  HA          124 ILE  QG2         3.50    (#   2432:20  Unique         3.76, 3.98 A)
 &rst
  ixpk= 2432, nxpk= 20, iat=1873,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1877,1878,1879,
 &end
#
#  123 SER  HA          124 ILE  QG2         5.50    (#   2433:20  Unique         4.31, 5.39 A)
 &rst
  ixpk= 2433, nxpk= 20, iat=1862,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1877,1878,1879,
 &end
#
#  124 ILE  QG2         125 ASP  HB+         5.50    (#   2435:20  Unique         3.58, 4.98 A)
 &rst
  ixpk= 2435, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1877,1878,1879,
 igr2=1894,1895,
 &end
#
#  124 ILE  QG2         125 ASP  HB-         5.50    (#   2436:20  Unique         3.58, 4.98 A)
 &rst
  ixpk= 2436, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1877,1878,1879,
 igr2=1894,1895,
 &end
#
#  126 ILE  HN          126 ILE  HA          5.50    (#   2438:20  Unique         2.87, 2.89 A)
 &rst
  ixpk= 2438, nxpk= 20, iat=1902,1904, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   93 SER  HA           93 SER  HB+         3.00    (#   2439:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 2439, nxpk= 20, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1400,1401,
 &end
#
#   23 SER  HA           23 SER  HB+         3.50    (#   2440:20  Unique         2.30, 2.71 A)
 &rst
  ixpk= 2440, nxpk= 20, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 344, 345,
 &end
#
#    0 AMB  20-2:2442   126 ILE  HB          4.50    (#   2442:20  Single Ambig)
 &rst
  ixpk= 2442, nxpk= 20, iat=  -1,1906, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1912,1913,1819,1820,
 &end
#
#  123 SER  HN          126 ILE  HG1-        5.50    (#   2443:20  Unique         2.04, 2.40 A)
 &rst
  ixpk= 2443, nxpk= 20, iat=1860,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1912,1913,
 &end
#
#  123 SER  HN          126 ILE  HG1+        5.50    (#   2444:20  Unique         2.04, 2.40 A)
 &rst
  ixpk= 2444, nxpk= 20, iat=1860,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1912,1913,
 &end
#
#    0 AMB  20-2:2445   126 ILE  HG1-        7.00    (#   2445:20  Single Ambig)
 &rst
  ixpk= 2445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1921,1890,
 igr2=1912,1913,
 &end
#
#    0 AMB  20-2:2446     0 AMB  20-1:2446   5.50    (#   2446:20  Double Ambig)
 &rst
  ixpk= 2446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1921,1890,
 igr2=1912,1913,1912,1913,
 &end
#
#    0 AMB  20-2:2448     0 AMB  20-1:2448   5.50    (#   2448:20  Double Ambig)
 &rst
  ixpk= 2448, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1864,1865,1822,1892,
 igr2=1912,1913,1912,1913,1912,1913,
 &end
#
#    0 AMB  20-2:2449   126 ILE  HG1-        5.50    (#   2449:20  Single Ambig)
 &rst
  ixpk= 2449, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1864,1865,1822,1892,
 igr2=1912,1913,
 &end
#
#  126 ILE  HA          126 ILE  HG1+        5.50    (#   2450:20  Unique         3.25, 3.58 A)
 &rst
  ixpk= 2450, nxpk= 20, iat=1904,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1912,1913,
 &end
#
#  126 ILE  HA          126 ILE  HG1-        5.50    (#   2451:20  Unique         3.25, 3.58 A)
 &rst
  ixpk= 2451, nxpk= 20, iat=1904,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1912,1913,
 &end
#
#  124 ILE  HA          126 ILE  HG1-        5.50    (#   2452:20  Unique         5.65, 6.36 A)
 &rst
  ixpk= 2452, nxpk= 20, iat=1873,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1912,1913,
 &end
#
#    0 AMB  20-2:2454   127 TYR  HA          5.50    (#   2454:20  Single Ambig)
 &rst
  ixpk= 2454, nxpk= 20, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1921,1964,
 &end
#
#  127 TYR  HB+         127 TYR  HA          5.50    (#   2455:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 2455, nxpk= 20, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1925,1926,
 &end
#
#  127 TYR  HB-         127 TYR  HA          5.50    (#   2456:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 2456, nxpk= 20, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1925,1926,
 &end
#
#   16 MET  HE1         127 TYR  HA          5.50    (#   2457:20  Unique         3.08, 4.34 A)
 &rst
  ixpk= 2457, nxpk= 20, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 238, 239, 240,
 &end
#
#  119 PRO  HB+         127 TYR  HA          5.50    (#   2458:20  Unique         2.38, 2.70 A)
 &rst
  ixpk= 2458, nxpk= 20, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1819,1820,
 &end
#
#  130 THR  MG2         127 TYR  HA          5.50    (#   2459:20  Unique         2.24, 4.28 A)
 &rst
  ixpk= 2459, nxpk= 20, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1987,1988,1989,
 &end
#
#  127 TYR  HN          127 TYR  HB+         5.50    (#   2460:20  Unique         2.27, 2.97 A)
 &rst
  ixpk= 2460, nxpk= 20, iat=1921,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1925,1926,
 &end
#
#  127 TYR  HN          127 TYR  HB-         5.50    (#   2461:20  Unique         2.27, 2.97 A)
 &rst
  ixpk= 2461, nxpk= 20, iat=1921,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1925,1926,
 &end
#
#    0 AMB  20-2:2462     0 AMB  20-1:2462   5.50    (#   2462:20  Double Ambig)
 &rst
  ixpk= 2462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1873,1923,
 igr2=1925,1926,1925,1926,
 &end
#
#    0 AMB  20-2:2463   127 TYR  HB-         5.50    (#   2463:20  Single Ambig)
 &rst
  ixpk= 2463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1873,1923,
 igr2=1925,1926,
 &end
#
#  124 ILE  QD1         127 TYR  HB-         5.50    (#   2466:20  Unique         2.42, 3.98 A)
 &rst
  ixpk= 2466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1884,1885,1886,
 igr2=1925,1926,
 &end
#
#  124 ILE  QD1         127 TYR  HB+         5.50    (#   2467:20  Unique         2.42, 3.98 A)
 &rst
  ixpk= 2467, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1884,1885,1886,
 igr2=1925,1926,
 &end
#
#    0 AMB  20-2:2468   126 ILE  QG2         5.50    (#   2468:20  Single Ambig)
 &rst
  ixpk= 2468, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1981,1800,
 igr2=1908,1909,1910,
 &end
#
#    0 AMB  20-2:2469   126 ILE  QG2         5.50    (#   2469:20  Single Ambig)
 &rst
  ixpk= 2469, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1929, 191,
 igr2=1908,1909,1910,
 &end
#
#  127 TYR  QD          126 ILE  QG2         5.50    (#   2470:20  Unique         4.89, 6.36 A)
 &rst
  ixpk= 2470, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1929,1938,
 igr2=1908,1909,1910,
 &end
#
#  127 TYR  HB-         126 ILE  QG2         5.50    (#   2473:20  Unique         5.64, 6.88 A)
 &rst
  ixpk= 2473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1925,1926,
 igr2=1908,1909,1910,
 &end
#
#  126 ILE  HG1+        126 ILE  QD1         3.50    (#   2474:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 2474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1912,1913,
 igr2=1915,1916,1917,
 &end
#
#  129 GLN  HG-         126 ILE  QD1         5.50    (#   2475:20  Unique         3.80, 5.85 A)
 &rst
  ixpk= 2475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1971,1972,
 igr2=1915,1916,1917,
 &end
#
#  125 ASP  HB-         126 ILE  QD1         5.50    (#   2476:20  Unique         3.24, 5.23 A)
 &rst
  ixpk= 2476, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1894,1895,
 igr2=1915,1916,1917,
 &end
#
#  129 GLN  HG+         126 ILE  QD1         5.50    (#   2477:20  Unique         3.80, 5.85 A)
 &rst
  ixpk= 2477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1971,1972,
 igr2=1915,1916,1917,
 &end
#
#  125 ASP  HB+         126 ILE  QD1         5.50    (#   2478:20  Unique         3.24, 5.23 A)
 &rst
  ixpk= 2478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1894,1895,
 igr2=1915,1916,1917,
 &end
#
#  129 GLN  HE2-        126 ILE  QD1         5.50    (#   2481:20  Unique         2.65, 4.43 A)
 &rst
  ixpk= 2481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1976,1977,
 igr2=1915,1916,1917,
 &end
#
#  129 GLN  HE2+        126 ILE  QD1         7.00    (#   2482:20  Unique         2.65, 4.43 A)
 &rst
  ixpk= 2482, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1976,1977,
 igr2=1915,1916,1917,
 &end
#
#    0 AMB  20-2:2483   126 ILE  QD1         5.50    (#   2483:20  Single Ambig)
 &rst
  ixpk= 2483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1890,1921,1964,
 igr2=1915,1916,1917,
 &end
#
#  123 SER  HN          126 ILE  QD1         5.50    (#   2484:20  Unique         3.82, 4.47 A)
 &rst
  ixpk= 2484, nxpk= 20, iat=1860,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1915,1916,1917,
 &end
#
#  124 ILE  HN          124 ILE  HA          5.50    (#   2485:20  Unique         2.79, 2.80 A)
 &rst
  ixpk= 2485, nxpk= 20, iat=1871,1873, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  130 THR  MG2         128 LYS  HA          7.00    (#   2486:20  Unique         4.92, 6.65 A)
 &rst
  ixpk= 2486, nxpk= 20, iat=  -1,1944, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1987,1988,1989,
 &end
#
#  131 ARG  HB-         128 LYS  HA          4.50    (#   2487:20  Unique         2.92, 3.89 A)
 &rst
  ixpk= 2487, nxpk= 20, iat=  -1,1944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1999,2000,
 &end
#
#  127 TYR  HB-         124 ILE  HA          5.50    (#   2488:20  Unique         2.27, 3.40 A)
 &rst
  ixpk= 2488, nxpk= 20, iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1925,1926,
 &end
#
#    0 AMB  20-2:2489   128 LYS  HA          5.50    (#   2489:20  Single Ambig)
 &rst
  ixpk= 2489, nxpk= 20, iat=  -1,1944, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1999,2000,1925,1926,
 &end
#
#   81 LEU  MD1         105 LEU  HA          5.50    (#   2490:20  Unique         3.98, 4.82 A)
 &rst
  ixpk= 2490, nxpk= 20, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1207,1208,1209,
 &end
#
#  144 GLN  HE2-        144 GLN  HG-         5.50    (#   2491:20  Unique         2.25, 3.40 A)
 &rst
  ixpk= 2491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2237,2238,
 igr2=2232,2233,
 &end
#
#  129 GLN  HE2-        129 GLN  HG-         5.50    (#   2492:20  Unique         2.26, 3.31 A)
 &rst
  ixpk= 2492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1976,1977,
 igr2=1971,1972,
 &end
#
#  129 GLN  HE2-        129 GLN  HG+         5.50    (#   2493:20  Unique         2.26, 3.31 A)
 &rst
  ixpk= 2493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1976,1977,
 igr2=1971,1972,
 &end
#
#  140 GLN  HE2-        140 GLN  HG+         5.50    (#   2494:20  Unique         2.33, 3.46 A)
 &rst
  ixpk= 2494, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2169,2170,
 igr2=2164,2165,
 &end
#
#    0 AMB  20-2:2495     0 AMB  20-1:2495   5.50    (#   2495:20  Double Ambig)
 &rst
  ixpk= 2495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1703,1704,1705,1691,1692,1693,
 igr2=2164,2165,2164,2165,
 &end
#
#    0 AMB  20-2:2496   129 GLN  HG-         4.50    (#   2496:20  Single Ambig)
 &rst
  ixpk= 2496, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1915,1916,1917,1790,1791,1792,
 igr2=1971,1972,
 &end
#
#  141 LEU  HN          140 GLN  HG+         5.50    (#   2497:20  Unique         4.51, 4.84 A)
 &rst
  ixpk= 2497, nxpk= 20, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2164,2165,
 &end
#
#    0 AMB  20-2:2498     0 AMB  20-1:2498   4.50    (#   2498:20  Double Ambig)
 &rst
  ixpk= 2498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1645,1348,
 igr2=1649,1650,1335,1336,
 &end
#
#  130 THR  HB          130 THR  HA          5.50    (#   2499:20  Unique         2.57, 2.96 A)
 &rst
  ixpk= 2499, nxpk= 20, iat=1985,1983, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  130 THR  HA          130 THR  HB          5.50    (#   2500:20  Unique         2.57, 2.96 A)
 &rst
  ixpk= 2500, nxpk= 20, iat=1983,1985, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2504     0 AMB  20-1:2504   5.50    (#   2504:20  Double Ambig)
 &rst
  ixpk= 2504, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1997,1944,
 igr2=1999,2000,1999,2000,
 &end
#
#    0 AMB  20-2:2505   131 ARG  HB-         4.50    (#   2505:20  Single Ambig)
 &rst
  ixpk= 2505, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1997,1944,
 igr2=1999,2000,
 &end
#
#    0 AMB  20-2:2508     0 AMB  20-1:2508   5.50    (#   2508:20  Double Ambig)
 &rst
  ixpk= 2508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1995,2019,
 igr2=1999,2000,1999,2000,
 &end
#
#  106 LYS  HE+         106 LYS  HG+         5.50    (#   2509:20  Unique         2.37, 3.16 A)
 &rst
  ixpk= 2509, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1636,1637,
 igr2=1630,1631,
 &end
#
#  106 LYS  HE-         106 LYS  HG+         5.50    (#   2510:20  Unique         2.37, 3.16 A)
 &rst
  ixpk= 2510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1636,1637,
 igr2=1630,1631,
 &end
#
#    0 AMB  20-2:2511     0 AMB  20-1:2511   3.00    (#   2511:20  Double Ambig)
 &rst
  ixpk= 2511, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1506,1507, 405, 406,
 igr2=1500,1501, 399, 400,
 &end
#
#    0 AMB  20-2:2513     0 AMB  20-1:2513   3.50    (#   2513:20  Double Ambig)
 &rst
  ixpk= 2513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1506,1507,2143,2144, 405, 406,
 igr2=1500,1501,2137,2138, 361, 362,
 &end
#
#   25 ALA  HA           30 LEU  HG          5.50    (#   2514:20  Unique         4.38, 4.70 A)
 &rst
  ixpk= 2514, nxpk= 20, iat= 372, 448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 LEU  HA           30 LEU  HG          5.50    (#   2515:20  Unique         2.23, 2.39 A)
 &rst
  ixpk= 2515, nxpk= 20, iat= 443, 448, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 ARG  HA           35 ARG  HG-         5.50    (#   2516:20  Unique         2.28, 3.44 A)
 &rst
  ixpk= 2516, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 527, 528,
 &end
#
#    0 AMB  20-2:2520    20 LEU  HG          4.50    (#   2520:20  Single Ambig)
 &rst
  ixpk= 2520, nxpk= 20, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2067,1997,
 &end
#
#   36 SER  HB-          36 SER  HA          5.50    (#   2521:20  Unique         2.31, 2.67 A)
 &rst
  ixpk= 2521, nxpk= 20, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 548, 549,
 &end
#
#   36 SER  HB+          36 SER  HA          5.50    (#   2522:20  Unique         2.31, 2.67 A)
 &rst
  ixpk= 2522, nxpk= 20, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 548, 549,
 &end
#
#    5 PHE  HB+          36 SER  HA          5.50    (#   2523:20  Unique         2.76, 3.61 A)
 &rst
  ixpk= 2523, nxpk= 20, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  75,  76,
 &end
#
#    0 AMB  20-2:2524    36 SER  HA          5.50    (#   2524:20  Single Ambig)
 &rst
  ixpk= 2524, nxpk= 20, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 524, 525, 143, 144,
 &end
#
#    0 AMB  20-2:2525    36 SER  HA          5.50    (#   2525:20  Single Ambig)
 &rst
  ixpk= 2525, nxpk= 20, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=  56, 514, 515, 516,  37,
 &end
#
#   37 ALA  MB           36 SER  HA          5.50    (#   2526:20  Unique         4.31, 4.88 A)
 &rst
  ixpk= 2526, nxpk= 20, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 559, 560, 561,
 &end
#
#    6 VAL  MG1          36 SER  HA          5.50    (#   2527:20  Unique         5.31, 6.76 A)
 &rst
  ixpk= 2527, nxpk= 20, iat=  -1, 546, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  97,  98,  99,
 &end
#
#    5 PHE  HN           36 SER  HA          4.50    (#   2528:20  Unique         2.35, 2.70 A)
 &rst
  ixpk= 2528, nxpk= 20, iat=  71, 546, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2529   128 LYS  HA          5.50    (#   2529:20  Single Ambig)
 &rst
  ixpk= 2529, nxpk= 20, iat=  -1,1944, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1964,1921,
 &end
#
#  134 LEU  HN          134 LEU  HA          5.50    (#   2530:20  Unique         2.81, 2.81 A)
 &rst
  ixpk= 2530, nxpk= 20, iat=2046,2048, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  133 GLU  HN          132 ASP  HA          5.50    (#   2531:20  Unique         3.55, 3.57 A)
 &rst
  ixpk= 2531, nxpk= 20, iat=2031,2021, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  138 LEU  HN          134 LEU  HA          7.00    (#   2532:20  Unique         3.85, 3.89 A)
 &rst
  ixpk= 2532, nxpk= 20, iat=2114,2048, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   21 PHE  HN           20 LEU  HA          5.50    (#   2533:20  Unique         3.58, 3.59 A)
 &rst
  ixpk= 2533, nxpk= 20, iat= 298, 281, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  128 LYS  HN          125 ASP  HA          5.50    (#   2534:20  Unique         3.22, 3.31 A)
 &rst
  ixpk= 2534, nxpk= 20, iat=1942,1892, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  142 ALA  HN          141 LEU  HA          5.50    (#   2535:20  Unique         3.56, 3.57 A)
 &rst
  ixpk= 2535, nxpk= 20, iat=2193,2176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2536     0 AMB  20-1:2536   5.50    (#   2536:20  Double Ambig)
 &rst
  ixpk= 2536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2225, 572,
 igr2=2176, 109,
 &end
#
#  138 LEU  HN          135 GLU  HA          5.50    (#   2537:20  Unique         3.29, 3.45 A)
 &rst
  ixpk= 2537, nxpk= 20, iat=2114,2067, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  136 GLU  HN          135 GLU  HA          5.50    (#   2538:20  Unique         3.56, 3.57 A)
 &rst
  ixpk= 2538, nxpk= 20, iat=2080,2067, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 HIS  HN           56 PHE  HA          5.50    (#   2539:20  Unique         3.16, 3.20 A)
 &rst
  ixpk= 2539, nxpk= 20, iat= 868, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 ILE  HN           21 PHE  HA          5.50    (#   2540:20  Unique         3.07, 3.11 A)
 &rst
  ixpk= 2540, nxpk= 20, iat= 351, 300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2541     0 AMB  20-1:2541   5.50    (#   2541:20  Double Ambig)
 &rst
  ixpk= 2541, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1141,1271,
 igr2=1132,1277,
 &end
#
#   76 SER  HN           75 GLU  HA          5.50    (#   2542:20  Unique         3.51, 3.55 A)
 &rst
  ixpk= 2542, nxpk= 20, iat=1130,1117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 GLU  HN           18 GLU  HA          5.50    (#   2543:20  Unique         2.81, 2.83 A)
 &rst
  ixpk= 2543, nxpk= 20, iat= 254, 256, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2544     0 AMB  20-1:2544   5.50    (#   2544:20  Double Ambig)
 &rst
  ixpk= 2544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 269,1532,
 igr2= 256,1498,
 &end
#
#   87 HIS  HD2          87 HIS  HA          5.50    (#   2545:20  Unique         2.38, 3.46 A)
 &rst
  ixpk= 2545, nxpk= 20, iat=1305,1294, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  136 GLU  HN            0 AMB  20-1:2546   4.50    (#   2546:20  Single Ambig)
 &rst
  ixpk= 2546, nxpk= 20, iat=2080,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2082,2033,
 &end
#
#   95 PHE  QD           71 GLU  HA          5.50    (#   2547:20  Unique         3.73, 4.47 A)
 &rst
  ixpk= 2547, nxpk= 20, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1432,1440,
 &end
#
#    0 AMB  20-2:2548    71 GLU  HA          5.50    (#   2548:20  Single Ambig)
 &rst
  ixpk= 2548, nxpk= 20, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1098,1079,
 &end
#
#  140 GLN  HN          139 ARG  HA          5.50    (#   2549:20  Unique         3.57, 3.58 A)
 &rst
  ixpk= 2549, nxpk= 20, iat=2157,2135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2550     0 AMB  20-1:2550   5.50    (#   2550:20  Double Ambig)
 &rst
  ixpk= 2550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 964, 724,
 igr2= 966, 698,
 &end
#
#    4 ILE  HN           80 VAL  HA          5.50    (#   2551:20  Unique         2.33, 2.46 A)
 &rst
  ixpk= 2551, nxpk= 20, iat=  52,1184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 SER  HN           22 LYS  HA          5.50    (#   2552:20  Unique         3.56, 3.57 A)
 &rst
  ixpk= 2552, nxpk= 20, iat= 340, 320, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 LYS  HN           57 GLU  HA          5.50    (#   2554:20  Unique         3.60, 3.63 A)
 &rst
  ixpk= 2554, nxpk= 20, iat= 846, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  111 GLY  HN          107 GLU  HA          5.50    (#   2555:20  Unique         2.74, 2.99 A)
 &rst
  ixpk= 2555, nxpk= 20, iat=1711,1647, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   89 GLN  HN           86 GLN  HA          5.50    (#   2556:20  Unique         3.23, 3.32 A)
 &rst
  ixpk= 2556, nxpk= 20, iat=1331,1277, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   16 MET  HN           16 MET  HA          5.50    (#   2557:20  Unique         2.87, 2.88 A)
 &rst
  ixpk= 2557, nxpk= 20, iat= 227, 229, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 LYS  HN           88 LYS  HA          5.50    (#   2558:20  Unique         2.83, 2.84 A)
 &rst
  ixpk= 2558, nxpk= 20, iat=1309,1311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 GLU  HN           72 GLU  HA          5.50    (#   2559:20  Unique         3.25, 3.34 A)
 &rst
  ixpk= 2559, nxpk= 20, iat=1115,1066, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2560    72 GLU  HA          5.50    (#   2560:20  Single Ambig)
 &rst
  ixpk= 2560, nxpk= 20, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1079,1098,
 &end
#
#   48 THR  HN           48 THR  HA          5.50    (#   2561:20  Unique         2.82, 2.86 A)
 &rst
  ixpk= 2561, nxpk= 20, iat= 696, 698, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  143 LYS  HN          142 ALA  HA          5.50    (#   2562:20  Unique         3.56, 3.57 A)
 &rst
  ixpk= 2562, nxpk= 20, iat=2203,2195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100 ASP  HN           99 ARG  HA          5.50    (#   2563:20  Unique         3.35, 3.45 A)
 &rst
  ixpk= 2563, nxpk= 20, iat=1520,1498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  131 ARG  HN          131 ARG  HA          5.50    (#   2564:20  Unique         2.81, 2.83 A)
 &rst
  ixpk= 2564, nxpk= 20, iat=1995,1997, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 ALA  HN           40 PHE  HA          4.50    (#   2565:20  Unique         2.26, 2.89 A)
 &rst
  ixpk= 2565, nxpk= 20, iat= 608, 590, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 PHE  HN           40 PHE  HA          5.50    (#   2566:20  Unique         2.94, 2.97 A)
 &rst
  ixpk= 2566, nxpk= 20, iat= 588, 590, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  101 LYS  HN          101 LYS  HA          5.50    (#   2567:20  Unique         2.89, 2.93 A)
 &rst
  ixpk= 2567, nxpk= 20, iat=1532,1534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2568    25 ALA  HA          5.50    (#   2568:20  Single Ambig)
 &rst
  ixpk= 2568, nxpk= 20, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 380, 395,
 &end
#
#   55 LEU  HN           54 ALA  HA          5.50    (#   2569:20  Unique         3.54, 3.56 A)
 &rst
  ixpk= 2569, nxpk= 20, iat= 792, 784, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 MET  HN           74 MET  HA          4.50    (#   2570:20  Unique         2.81, 2.82 A)
 &rst
  ixpk= 2570, nxpk= 20, iat=1098,1100, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 ALA  HN           74 MET  HA          5.50    (#   2571:20  Unique         3.42, 3.50 A)
 &rst
  ixpk= 2571, nxpk= 20, iat=1141,1100, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 LYS  HN           19 ALA  HA          5.50    (#   2572:20  Unique         3.42, 3.52 A)
 &rst
  ixpk= 2572, nxpk= 20, iat= 318, 271, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 HIS  HN           58 LYS  HA          5.50    (#   2573:20  Unique         3.33, 3.37 A)
 &rst
  ixpk= 2573, nxpk= 20, iat= 868, 848, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 GLY  HN           44 ASN  HA          5.50    (#   2574:20  Unique         2.54, 3.07 A)
 &rst
  ixpk= 2574, nxpk= 20, iat= 657, 645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 ALA  HN           17 ALA  HA          5.50    (#   2575:20  Unique         2.83, 2.84 A)
 &rst
  ixpk= 2575, nxpk= 20, iat= 244, 246, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 LEU  HN           62 LEU  HA          5.50    (#   2576:20  Unique         2.56, 2.73 A)
 &rst
  ixpk= 2576, nxpk= 20, iat= 914, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 GLU  HN           28 GLU  HA          4.50    (#   2577:20  Unique         2.88, 2.90 A)
 &rst
  ixpk= 2577, nxpk= 20, iat= 419, 421, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    2 ASP  HN            1 MET  HA          3.50    (#   2578:20  Unique         2.22, 2.24 A)
 &rst
  ixpk= 2578, nxpk= 20, iat=  21,   6, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    1 MET  HA            1 MET  HB+         5.50    (#   2579:20  Unique         2.38, 2.76 A)
 &rst
  ixpk= 2579, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=   8,   9,
 &end
#
#   77 ALA  MB            2 ASP  HB+         4.50    (#   2580:20  Unique         3.13, 4.75 A)
 &rst
  ixpk= 2580, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1145,1146,1147,
 igr2=  25,  26,
 &end
#
#    3 ILE  QD1           3 ILE  HG1+        3.00    (#   2581:20  Unique         2.32, 2.65 A)
 &rst
  ixpk= 2581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  46,  47,  48,
 igr2=  43,  44,
 &end
#
#    0 AMB  20-2:2582     3 ILE  HG1-        5.50    (#   2582:20  Single Ambig)
 &rst
  ixpk= 2582, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1207,1208,1209,1172,1173,1174,
 igr2=  43,  44,
 &end
#
#   81 LEU  HN            5 PHE  HA          5.50    (#   2583:20  Unique         3.09, 3.12 A)
 &rst
  ixpk= 2583, nxpk= 20, iat=1198,  73, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2584     5 PHE  HA          5.50    (#   2584:20  Single Ambig)
 &rst
  ixpk= 2584, nxpk= 20, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1238,1239,1240,1234,1235,
 &end
#
#    6 VAL  MG1           5 PHE  HA          5.50    (#   2585:20  Unique         3.17, 4.43 A)
 &rst
  ixpk= 2585, nxpk= 20, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  97,  98,  99,
 &end
#
#    0 AMB  20-2:2586     5 PHE  HA          5.50    (#   2586:20  Single Ambig)
 &rst
  ixpk= 2586, nxpk= 20, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  58,  59,  60, 248, 249, 250,
 &end
#
#    6 VAL  HB            5 PHE  HA          5.50    (#   2587:20  Unique         4.50, 4.57 A)
 &rst
  ixpk= 2587, nxpk= 20, iat=  95,  73, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2588     5 PHE  HA          7.00    (#   2588:20  Single Ambig)
 &rst
  ixpk= 2588, nxpk= 20, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
 igr1=1613,1614,1615, 559, 560, 561,1170,
 &end
#
#   81 LEU  HB+           5 PHE  HA          5.50    (#   2589:20  Unique         2.83, 3.24 A)
 &rst
  ixpk= 2589, nxpk= 20, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1202,1203,
 &end
#
#   81 LEU  HB-           5 PHE  HA          5.50    (#   2590:20  Unique         2.83, 3.24 A)
 &rst
  ixpk= 2590, nxpk= 20, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1202,1203,
 &end
#
#    6 VAL  MG2           5 PHE  HA          5.50    (#   2591:20  Unique         6.08, 6.52 A)
 &rst
  ixpk= 2591, nxpk= 20, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 101, 102, 103,
 &end
#
#   83 MET  HE            5 PHE  HB+         5.50    (#   2592:20  Unique         2.15, 4.01 A)
 &rst
  ixpk= 2592, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1238,1239,1240,
 igr2=  75,  76,
 &end
#
#   17 ALA  MB            5 PHE  HB+         5.50    (#   2593:20  Unique         2.72, 4.14 A)
 &rst
  ixpk= 2593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 248, 249, 250,
 igr2=  75,  76,
 &end
#
#   37 ALA  HN            6 VAL  HA          5.50    (#   2594:20  Unique         2.58, 2.95 A)
 &rst
  ixpk= 2594, nxpk= 20, iat= 555,  93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 VAL  HN            6 VAL  HA          5.50    (#   2595:20  Unique         2.93, 2.94 A)
 &rst
  ixpk= 2595, nxpk= 20, iat=  91,  93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 VAL  HB            6 VAL  HA          5.50    (#   2596:20  Unique         2.22, 2.31 A)
 &rst
  ixpk= 2596, nxpk= 20, iat=  95,  93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 VAL  HA            6 VAL  HB          5.50    (#   2597:20  Unique         2.22, 2.31 A)
 &rst
  ixpk= 2597, nxpk= 20, iat=  93,  95, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 SER  HB+          14 SER  HA          5.50    (#   2598:20  Unique         2.29, 2.71 A)
 &rst
  ixpk= 2598, nxpk= 20, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 206, 207,
 &end
#
#   14 SER  HA           14 SER  HB+         4.50    (#   2599:20  Unique         2.29, 2.71 A)
 &rst
  ixpk= 2599, nxpk= 20, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 206, 207,
 &end
#
#   19 ALA  MB           16 MET  HA          4.50    (#   2600:20  Unique         2.82, 3.79 A)
 &rst
  ixpk= 2600, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 273, 274, 275,
 &end
#
#   16 MET  HB+          16 MET  HA          5.50    (#   2601:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 2601, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 231, 232,
 &end
#
#    0 AMB  20-2:2602    16 MET  HA          5.50    (#   2602:20  Single Ambig)
 &rst
  ixpk= 2602, nxpk= 20, iat=  -1, 229, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 745, 746, 747, 856, 857,
 &end
#
#   13 ARG  HA           16 MET  HA          5.50    (#   2603:20  Unique         5.29, 5.52 A)
 &rst
  ixpk= 2603, nxpk= 20, iat= 180, 229, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 ALA  HA           16 MET  HB+         7.00    (#   2605:20  Unique         7.43, 7.84 A)
 &rst
  ixpk= 2605, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 231, 232,
 &end
#
#    0 AMB  20-2:2606     0 AMB  20-1:2606   5.50    (#   2606:20  Double Ambig)
 &rst
  ixpk= 2606, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 180,2005,2006,
 igr2= 231, 232, 231, 232,
 &end
#
#  100 ASP  HA           99 ARG  HA          5.50    (#   2608:20  Unique         4.89, 4.92 A)
 &rst
  ixpk= 2608, nxpk= 20, iat=1522,1498, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2609    99 ARG  HA          5.50    (#   2609:20  Single Ambig)
 &rst
  ixpk= 2609, nxpk= 20, iat=  -1,1498, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1506,1507,1428,1429,
 &end
#
#    0 AMB  20-2:2610    18 GLU  HA          5.50    (#   2610:20  Single Ambig)
 &rst
  ixpk= 2610, nxpk= 20, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 302, 303, 331, 332,
 &end
#
#   17 ALA  MB           18 GLU  HA          5.50    (#   2611:20  Unique         4.32, 4.95 A)
 &rst
  ixpk= 2611, nxpk= 20, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 248, 249, 250,
 &end
#
#    0 AMB  20-2:2612    99 ARG  HA          5.50    (#   2612:20  Single Ambig)
 &rst
  ixpk= 2612, nxpk= 20, iat=  -1,1498, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1503,1504,1109,1110,1111,
 &end
#
#    0 AMB  20-2:2614    20 LEU  HB-         5.50    (#   2614:20  Single Ambig)
 &rst
  ixpk= 2614, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1999,2000, 796, 797, 185, 186,
 igr2= 283, 284,
 &end
#
#    0 AMB  20-2:2615     0 AMB  20-1:2615   5.50    (#   2615:20  Double Ambig)
 &rst
  ixpk= 2615, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1999,2000, 185, 186,
 igr2= 283, 284, 283, 284,
 &end
#
#   20 LEU  HA           20 LEU  HB-         5.50    (#   2616:20  Unique         2.48, 2.85 A)
 &rst
  ixpk= 2616, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 283, 284,
 &end
#
#   20 LEU  HA           20 LEU  HB+         5.50    (#   2617:20  Unique         2.48, 2.85 A)
 &rst
  ixpk= 2617, nxpk= 20, iat= 281,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 283, 284,
 &end
#
#   20 LEU  HN           20 LEU  HB+         5.50    (#   2618:20  Unique         2.14, 2.67 A)
 &rst
  ixpk= 2618, nxpk= 20, iat= 279,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 283, 284,
 &end
#
#   20 LEU  HN           20 LEU  HB-         5.50    (#   2619:20  Unique         2.14, 2.67 A)
 &rst
  ixpk= 2619, nxpk= 20, iat= 279,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 283, 284,
 &end
#
#   21 PHE  HN           20 LEU  HB-         5.50    (#   2620:20  Unique         2.74, 3.22 A)
 &rst
  ixpk= 2620, nxpk= 20, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 283, 284,
 &end
#
#   21 PHE  HN           20 LEU  HB+         5.50    (#   2621:20  Unique         2.74, 3.22 A)
 &rst
  ixpk= 2621, nxpk= 20, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 283, 284,
 &end
#
#    0 AMB  20-2:2622     0 AMB  20-1:2622   5.50    (#   2622:20  Double Ambig)
 &rst
  ixpk= 2622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1830,1831, 302, 303,
 igr2=1828, 300,
 &end
#
#    0 AMB  20-2:2623     0 AMB  20-1:2623   5.50    (#   2623:20  Double Ambig)
 &rst
  ixpk= 2623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1830,1831, 302, 303,
 igr2=1828, 300,
 &end
#
#   21 PHE  HN           21 PHE  HA          5.50    (#   2624:20  Unique         2.86, 2.86 A)
 &rst
  ixpk= 2624, nxpk= 20, iat= 298, 300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 PHE  HN           21 PHE  HB-         5.50    (#   2625:20  Unique         2.49, 2.67 A)
 &rst
  ixpk= 2625, nxpk= 20, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 302, 303,
 &end
#
#    0 AMB  20-2:2626     0 AMB  20-1:2626   5.50    (#   2626:20  Double Ambig)
 &rst
  ixpk= 2626, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 318,1846,
 igr2= 302, 303,1830,1831,
 &end
#
#    0 AMB  20-2:2627     0 AMB  20-1:2627   5.50    (#   2627:20  Double Ambig)
 &rst
  ixpk= 2627, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 318,1846,
 igr2= 302, 303,1830,1831,
 &end
#
#   21 PHE  QD           21 PHE  HB+         5.50    (#   2628:20  Unique         2.48, 3.11 A)
 &rst
  ixpk= 2628, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 306, 314,
 igr2= 302, 303,
 &end
#
#   21 PHE  QD           21 PHE  HB-         5.50    (#   2629:20  Unique         2.48, 3.11 A)
 &rst
  ixpk= 2629, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 306, 314,
 igr2= 302, 303,
 &end
#
#   85 HIS  HB-          85 HIS  HA          5.50    (#   2630:20  Unique         2.39, 2.72 A)
 &rst
  ixpk= 2630, nxpk= 20, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1262,1263,
 &end
#
#   85 HIS  HB+          85 HIS  HA          5.50    (#   2631:20  Unique         2.39, 2.72 A)
 &rst
  ixpk= 2631, nxpk= 20, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1262,1263,
 &end
#
#   26 GLU  HN           22 LYS  HA          5.50    (#   2632:20  Unique         3.92, 4.01 A)
 &rst
  ixpk= 2632, nxpk= 20, iat= 380, 320, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 PHE  HD2          22 LYS  HA          5.50    (#   2633:20  Unique         3.68, 3.83 A)
 &rst
  ixpk= 2633, nxpk= 20, iat= 314, 320, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 ALA  HN           22 LYS  HA          5.50    (#   2634:20  Unique         3.33, 3.43 A)
 &rst
  ixpk= 2634, nxpk= 20, iat= 370, 320, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85 HIS  HN           85 HIS  HA          5.50    (#   2635:20  Unique         2.82, 2.84 A)
 &rst
  ixpk= 2635, nxpk= 20, iat=1258,1260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 ALA  HN           24 ILE  HA          5.50    (#   2636:20  Unique         3.55, 3.57 A)
 &rst
  ixpk= 2636, nxpk= 20, iat= 370, 353, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2637     0 AMB  20-1:2637   5.50    (#   2637:20  Double Ambig)
 &rst
  ixpk= 2637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 355,1633,1634,
 igr2= 353,1722,1723,
 &end
#
#   24 ILE  HG1+         24 ILE  HB          5.50    (#   2638:20  Unique         2.49, 2.80 A)
 &rst
  ixpk= 2638, nxpk= 20, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 361, 362,
 &end
#
#   24 ILE  HG1-         24 ILE  HB          5.50    (#   2639:20  Unique         2.49, 2.80 A)
 &rst
  ixpk= 2639, nxpk= 20, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 361, 362,
 &end
#
#   24 ILE  HA           24 ILE  HB          5.50    (#   2640:20  Unique         3.02, 3.03 A)
 &rst
  ixpk= 2640, nxpk= 20, iat= 353, 355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 PHE  HA           24 ILE  HB          5.50    (#   2641:20  Unique         2.30, 2.43 A)
 &rst
  ixpk= 2641, nxpk= 20, iat= 300, 355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2642    24 ILE  HB          5.50    (#   2642:20  Single Ambig)
 &rst
  ixpk= 2642, nxpk= 20, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 344, 345,2195,
 &end
#
#   24 ILE  HN           24 ILE  HG1+        5.50    (#   2643:20  Unique         2.45, 3.12 A)
 &rst
  ixpk= 2643, nxpk= 20, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 361, 362,
 &end
#
#    0 AMB  20-2:2644     0 AMB  20-1:2644   5.50    (#   2644:20  Double Ambig)
 &rst
  ixpk= 2644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 355,2140,2141,
 igr2= 361, 362, 361, 362,
 &end
#
#    0 AMB  20-2:2645     0 AMB  20-1:2645   3.50    (#   2645:20  Double Ambig)
 &rst
  ixpk= 2645, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 364, 365, 366, 357, 358, 359,
 igr2= 361, 362, 361, 362,
 &end
#
#    0 AMB  20-2:2646    24 ILE  QG2         5.50    (#   2646:20  Single Ambig)
 &rst
  ixpk= 2646, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 405, 406,2143,2144,
 igr2= 357, 358, 359,
 &end
#
#  139 ARG  HD+          24 ILE  QD1         5.50    (#   2647:20  Unique         3.18, 5.67 A)
 &rst
  ixpk= 2647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2143,2144,
 igr2= 364, 365, 366,
 &end
#
#   21 PHE  HB-          24 ILE  QD1         5.50    (#   2648:20  Unique         4.57, 6.53 A)
 &rst
  ixpk= 2648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 302, 303,
 igr2= 364, 365, 366,
 &end
#
#   28 GLU  HB+          25 ALA  HA          5.50    (#   2649:20  Unique         2.60, 3.41 A)
 &rst
  ixpk= 2649, nxpk= 20, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 423, 424,
 &end
#
#    0 AMB  20-2:2650    25 ALA  HA          5.50    (#   2650:20  Single Ambig)
 &rst
  ixpk= 2650, nxpk= 20, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 426, 427, 387, 388,
 &end
#
#   28 GLU  HB-          25 ALA  HA          5.50    (#   2651:20  Unique         2.60, 3.41 A)
 &rst
  ixpk= 2651, nxpk= 20, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 423, 424,
 &end
#
#   24 ILE  HB           25 ALA  HA          5.50    (#   2652:20  Unique         4.61, 4.67 A)
 &rst
  ixpk= 2652, nxpk= 20, iat= 355, 372, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 GLY  HN           28 GLU  HB-         5.50    (#   2653:20  Unique         3.04, 3.57 A)
 &rst
  ixpk= 2653, nxpk= 20, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 423, 424,
 &end
#
#    0 AMB  20-2:2654     0 AMB  20-1:2654   5.50    (#   2654:20  Double Ambig)
 &rst
  ixpk= 2654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 434, 792,
 igr2= 423, 424, 771, 772,
 &end
#
#   25 ALA  HA           28 GLU  HB+         5.50    (#   2655:20  Unique         2.60, 3.41 A)
 &rst
  ixpk= 2655, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 423, 424,
 &end
#
#   30 LEU  HA           30 LEU  HB-         5.50    (#   2657:20  Unique         2.75, 2.88 A)
 &rst
  ixpk= 2657, nxpk= 20, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 445, 446,
 &end
#
#   25 ALA  HA           30 LEU  HB+         5.50    (#   2658:20  Unique         2.22, 2.85 A)
 &rst
  ixpk= 2658, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 445, 446,
 &end
#
#   25 ALA  HA           30 LEU  HB-         5.50    (#   2659:20  Unique         2.22, 2.85 A)
 &rst
  ixpk= 2659, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 445, 446,
 &end
#
#   32 VAL  HN           31 ASN  HB+         5.50    (#   2660:20  Unique         4.30, 4.45 A)
 &rst
  ixpk= 2660, nxpk= 20, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 464, 465,
 &end
#
#   32 VAL  HN           31 ASN  HB-         5.50    (#   2661:20  Unique         4.30, 4.45 A)
 &rst
  ixpk= 2661, nxpk= 20, iat= 474,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 464, 465,
 &end
#
#   31 ASN  HD2+         31 ASN  HB-         5.50    (#   2662:20  Unique         2.26, 3.30 A)
 &rst
  ixpk= 2662, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 469, 470,
 igr2= 464, 465,
 &end
#
#   31 ASN  HD2+         31 ASN  HB+         5.50    (#   2663:20  Unique         2.26, 3.30 A)
 &rst
  ixpk= 2663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 469, 470,
 igr2= 464, 465,
 &end
#
#   31 ASN  HD2-         31 ASN  HB+         5.50    (#   2664:20  Unique         2.26, 3.30 A)
 &rst
  ixpk= 2664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 469, 470,
 igr2= 464, 465,
 &end
#
#   32 VAL  MG2          31 ASN  HB-         5.50    (#   2665:20  Unique         6.01, 7.14 A)
 &rst
  ixpk= 2665, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 484, 485, 486,
 igr2= 464, 465,
 &end
#
#   32 VAL  MG2          31 ASN  HB+         5.50    (#   2666:20  Unique         6.01, 7.14 A)
 &rst
  ixpk= 2666, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 484, 485, 486,
 igr2= 464, 465,
 &end
#
#    0 AMB  20-2:2667    31 ASN  HB-         7.00    (#   2667:20  Single Ambig)
 &rst
  ixpk= 2667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 445, 446, 448,
 igr2= 464, 465,
 &end
#
#   32 VAL  HN           32 VAL  HB          5.50    (#   2668:20  Unique         3.87, 3.91 A)
 &rst
  ixpk= 2668, nxpk= 20, iat= 474, 478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 PHE  QE           32 VAL  HB          5.50    (#   2669:20  Unique         3.76, 5.90 A)
 &rst
  ixpk= 2669, nxpk= 20, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 308, 312,
 &end
#
#    1 MET  HG+          32 VAL  HB          5.50    (#   2670:20  Unique         3.15, 3.93 A)
 &rst
  ixpk= 2670, nxpk= 20, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  11,  12,
 &end
#
#   33 ASN  HB+          32 VAL  HB          5.50    (#   2671:20  Unique         4.90, 5.15 A)
 &rst
  ixpk= 2671, nxpk= 20, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 494, 495,
 &end
#
#   25 ALA  HA           32 VAL  MG2         5.50    (#   2672:20  Unique         4.44, 5.34 A)
 &rst
  ixpk= 2672, nxpk= 20, iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 484, 485, 486,
 &end
#
#    0 AMB  20-2:2673    32 VAL  MG2         5.50    (#   2673:20  Single Ambig)
 &rst
  ixpk= 2673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 382,2195,
 igr2= 484, 485, 486,
 &end
#
#    0 AMB  20-2:2674   102 VAL  MG2         5.50    (#   2674:20  Single Ambig)
 &rst
  ixpk= 2674, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1184,1522,
 igr2=1564,1565,1566,
 &end
#
#   33 ASN  HA           32 VAL  MG2         5.50    (#   2675:20  Unique         3.15, 4.44 A)
 &rst
  ixpk= 2675, nxpk= 20, iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 484, 485, 486,
 &end
#
#    2 ASP  HA           32 VAL  MG2         5.50    (#   2676:20  Unique         5.71, 6.41 A)
 &rst
  ixpk= 2676, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 484, 485, 486,
 &end
#
#    0 AMB  20-2:2677    32 VAL  MG2         5.50    (#   2677:20  Single Ambig)
 &rst
  ixpk= 2677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 441, 351,
 igr2= 484, 485, 486,
 &end
#
#   25 ALA  HN           32 VAL  MG2         7.00    (#   2678:20  Unique         5.18, 5.66 A)
 &rst
  ixpk= 2678, nxpk= 20, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 484, 485, 486,
 &end
#
#   30 LEU  HA           32 VAL  MG1         5.50    (#   2679:20  Unique         4.72, 5.92 A)
 &rst
  ixpk= 2679, nxpk= 20, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 480, 481, 482,
 &end
#
#   87 HIS  HB+          39 VAL  MG1         5.50    (#   2680:20  Unique         3.90, 6.40 A)
 &rst
  ixpk= 2680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1296,1297,
 igr2= 578, 579, 580,
 &end
#
#    0 AMB  20-2:2681    33 ASN  HA          5.50    (#   2681:20  Single Ambig)
 &rst
  ixpk= 2681, nxpk= 20, iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 508, 261, 262,
 &end
#
#  108 TYR  HD2         108 TYR  HB+         7.00    (#   2682:20  Unique         2.35, 2.97 A)
 &rst
  ixpk= 2682, nxpk= 20, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1664,1665,
 &end
#
#   35 ARG  HN           34 VAL  HB          5.50    (#   2683:20  Unique         2.46, 2.71 A)
 &rst
  ixpk= 2683, nxpk= 20, iat= 520, 508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 ALA  MB           34 VAL  MG2         5.50    (#   2685:20  Unique         6.49, 7.98 A)
 &rst
  ixpk= 2685, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 248, 249, 250,
 igr2= 514, 515, 516,
 &end
#
#    5 PHE  HB+          34 VAL  MG2         5.50    (#   2687:20  Unique         5.56, 7.46 A)
 &rst
  ixpk= 2687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  75,  76,
 igr2= 514, 515, 516,
 &end
#
#   21 PHE  HB+          34 VAL  MG2         5.50    (#   2688:20  Unique         2.49, 4.66 A)
 &rst
  ixpk= 2688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 302, 303,
 igr2= 514, 515, 516,
 &end
#
#   19 ALA  HN           34 VAL  MG2         5.50    (#   2689:20  Unique         5.35, 6.05 A)
 &rst
  ixpk= 2689, nxpk= 20, iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 514, 515, 516,
 &end
#
#   18 GLU  HN           34 VAL  MG2         5.50    (#   2690:20  Unique         5.12, 5.95 A)
 &rst
  ixpk= 2690, nxpk= 20, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 514, 515, 516,
 &end
#
#   21 PHE  HN           34 VAL  MG2         5.50    (#   2691:20  Unique         4.49, 5.59 A)
 &rst
  ixpk= 2691, nxpk= 20, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 514, 515, 516,
 &end
#
#   21 PHE  HN           34 VAL  MG1         5.50    (#   2692:20  Unique         5.45, 6.68 A)
 &rst
  ixpk= 2692, nxpk= 20, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 510, 511, 512,
 &end
#
#    2 ASP  HA           34 VAL  MG1         5.50    (#   2693:20  Unique         4.31, 5.27 A)
 &rst
  ixpk= 2693, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 510, 511, 512,
 &end
#
#   21 PHE  HB+          34 VAL  MG1         5.50    (#   2694:20  Unique         2.77, 4.68 A)
 &rst
  ixpk= 2694, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 302, 303,
 igr2= 510, 511, 512,
 &end
#
#   33 ASN  HB+          34 VAL  MG1         5.50    (#   2695:20  Unique         5.42, 6.39 A)
 &rst
  ixpk= 2695, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 494, 495,
 igr2= 510, 511, 512,
 &end
#
#   34 VAL  HB           34 VAL  HA          5.50    (#   2696:20  Unique         2.33, 2.38 A)
 &rst
  ixpk= 2696, nxpk= 20, iat= 508, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2697    34 VAL  HA          3.50    (#   2697:20  Single Ambig)
 &rst
  ixpk= 2697, nxpk= 20, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  37, 514, 515, 516,
 &end
#
#   35 ARG  HG+          34 VAL  HA          5.50    (#   2698:20  Unique         3.14, 4.77 A)
 &rst
  ixpk= 2698, nxpk= 20, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 527, 528,
 &end
#
#    3 ILE  QG2          34 VAL  HA          5.50    (#   2699:20  Unique         4.64, 5.32 A)
 &rst
  ixpk= 2699, nxpk= 20, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  39,  40,  41,
 &end
#
#   35 ARG  HN           35 ARG  HB-         5.50    (#   2700:20  Unique         2.61, 3.34 A)
 &rst
  ixpk= 2700, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 524, 525,
 &end
#
#   35 ARG  HN           35 ARG  HB+         5.50    (#   2701:20  Unique         2.61, 3.34 A)
 &rst
  ixpk= 2701, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 524, 525,
 &end
#
#   35 ARG  HD+          35 ARG  HB-         5.50    (#   2703:20  Unique         2.26, 3.29 A)
 &rst
  ixpk= 2703, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 530, 531,
 igr2= 524, 525,
 &end
#
#    0 AMB  20-2:2704     0 AMB  20-1:2704   5.50    (#   2704:20  Double Ambig)
 &rst
  ixpk= 2704, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 677, 678, 530, 531,
 igr2= 668, 669, 524, 525,
 &end
#
#   35 ARG  HD+          35 ARG  HB+         5.50    (#   2705:20  Unique         2.26, 3.29 A)
 &rst
  ixpk= 2705, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 530, 531,
 igr2= 524, 525,
 &end
#
#   35 ARG  HD-          35 ARG  HB+         5.50    (#   2706:20  Unique         2.26, 3.29 A)
 &rst
  ixpk= 2706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 530, 531,
 igr2= 524, 525,
 &end
#
#    4 ILE  QG2          35 ARG  HB-         5.50    (#   2707:20  Unique         2.58, 4.66 A)
 &rst
  ixpk= 2707, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  58,  59,  60,
 igr2= 524, 525,
 &end
#
#   73 LEU  MD1          35 ARG  HB-         5.50    (#   2708:20  Unique         2.80, 4.55 A)
 &rst
  ixpk= 2708, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1088,1089,1090,
 igr2= 524, 525,
 &end
#
#    4 ILE  QG2          35 ARG  HB+         5.50    (#   2709:20  Unique         2.58, 4.66 A)
 &rst
  ixpk= 2709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  58,  59,  60,
 igr2= 524, 525,
 &end
#
#   36 SER  HN           35 ARG  HG+         4.50    (#   2710:20  Unique         3.57, 4.42 A)
 &rst
  ixpk= 2710, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 527, 528,
 &end
#
#   36 SER  HN           35 ARG  HG-         5.50    (#   2711:20  Unique         3.57, 4.42 A)
 &rst
  ixpk= 2711, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 527, 528,
 &end
#
#   35 ARG  HN           35 ARG  HG-         5.50    (#   2712:20  Unique         2.34, 3.75 A)
 &rst
  ixpk= 2712, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 527, 528,
 &end
#
#   35 ARG  HN           35 ARG  HG+         5.50    (#   2713:20  Unique         2.34, 3.75 A)
 &rst
  ixpk= 2713, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 527, 528,
 &end
#
#    0 AMB  20-2:2714     0 AMB  20-1:2714   5.50    (#   2714:20  Double Ambig)
 &rst
  ixpk= 2714, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  58,  59,  60,  65,  66,  67,
 igr2= 527, 528, 527, 528,
 &end
#
#    0 AMB  20-2:2715    35 ARG  HG-         5.50    (#   2715:20  Single Ambig)
 &rst
  ixpk= 2715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  58,  59,  60,  65,  66,  67,
 igr2= 527, 528,
 &end
#
#    0 AMB  20-2:2716    35 ARG  HD-         5.50    (#   2716:20  Single Ambig)
 &rst
  ixpk= 2716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  65,  66,  67,  58,  59,  60,
 igr2= 530, 531,
 &end
#
#   35 ARG  HB+          35 ARG  HA          3.50    (#   2718:20  Unique         2.36, 2.70 A)
 &rst
  ixpk= 2718, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 524, 525,
 &end
#
#    0 AMB  20-2:2719    35 ARG  HA          4.50    (#   2719:20  Single Ambig)
 &rst
  ixpk= 2719, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 527, 528, 524, 525,
 &end
#
#    0 AMB  20-2:2720    35 ARG  HA          5.50    (#   2720:20  Single Ambig)
 &rst
  ixpk= 2720, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 530, 531, 331, 332,
 &end
#
#    0 AMB  20-2:2721    35 ARG  HA          5.50    (#   2721:20  Single Ambig)
 &rst
  ixpk= 2721, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 530, 531, 331, 332,
 &end
#
#   35 ARG  HG-          35 ARG  HA          5.50    (#   2722:20  Unique         2.28, 3.44 A)
 &rst
  ixpk= 2722, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 527, 528,
 &end
#
#    0 AMB  20-2:2724     0 AMB  20-1:2724   5.50    (#   2724:20  Double Ambig)
 &rst
  ixpk= 2724, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 544, 555,
 igr2= 548, 549, 548, 549,
 &end
#
#   36 SER  HA           36 SER  HB+         5.50    (#   2725:20  Unique         2.31, 2.67 A)
 &rst
  ixpk= 2725, nxpk= 20, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 548, 549,
 &end
#
#    6 VAL  HA           37 ALA  MB          5.50    (#   2727:20  Unique         3.70, 5.10 A)
 &rst
  ixpk= 2727, nxpk= 20, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 559, 560, 561,
 &end
#
#   36 SER  HA           37 ALA  MB          5.50    (#   2728:20  Unique         4.31, 4.88 A)
 &rst
  ixpk= 2728, nxpk= 20, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 559, 560, 561,
 &end
#
#    0 AMB  20-2:2730     0 AMB  20-1:2730   3.00    (#   2730:20  Double Ambig)
 &rst
  ixpk= 2730, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 557,1699,
 igr2= 559, 560, 561,1687,1688,1689,
 &end
#
#  141 LEU  HG          109 VAL  MG1         5.50    (#   2731:20  Unique         4.30, 5.77 A)
 &rst
  ixpk= 2731, nxpk= 20, iat=2181,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1687,1688,1689,
 &end
#
#   69 LEU  HN           68 PRO  HB-         5.50    (#   2740:20  Unique         2.86, 3.37 A)
 &rst
  ixpk= 2740, nxpk= 20, iat=1016,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1009,1010,
 &end
#
#   39 VAL  HN           39 VAL  HB          5.50    (#   2741:20  Unique         2.60, 2.96 A)
 &rst
  ixpk= 2741, nxpk= 20, iat= 572, 576, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 PHE  HN           39 VAL  HB          5.50    (#   2742:20  Unique         2.91, 3.20 A)
 &rst
  ixpk= 2742, nxpk= 20, iat= 588, 576, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2745     0 AMB  20-1:2745   5.50    (#   2745:20  Double Ambig)
 &rst
  ixpk= 2745, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1419,1420,  79,  87,
 igr2= 582, 583, 584,  97,  98,  99,
 &end
#
#   87 HIS  HD2          39 VAL  MG2         7.00    (#   2746:20  Unique         2.25, 3.65 A)
 &rst
  ixpk= 2746, nxpk= 20, iat=1305,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 582, 583, 584,
 &end
#
#   94 GLN  HE2-         39 VAL  MG2         5.50    (#   2747:20  Unique         4.45, 6.94 A)
 &rst
  ixpk= 2747, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1419,1420,
 igr2= 582, 583, 584,
 &end
#
#   94 GLN  HG+          39 VAL  MG2         5.50    (#   2749:20  Unique         4.56, 7.35 A)
 &rst
  ixpk= 2749, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1414,1415,
 igr2= 582, 583, 584,
 &end
#
#   91 ILE  HG1+         39 VAL  MG1         4.50    (#   2751:20  Unique         2.28, 4.07 A)
 &rst
  ixpk= 2751, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1377,1378,
 igr2= 578, 579, 580,
 &end
#
#   40 PHE  HB-          39 VAL  MG1         5.50    (#   2752:20  Unique         4.92, 6.64 A)
 &rst
  ixpk= 2752, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 592, 593,
 igr2= 578, 579, 580,
 &end
#
#   40 PHE  HB+          39 VAL  MG1         5.50    (#   2753:20  Unique         4.92, 6.64 A)
 &rst
  ixpk= 2753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 592, 593,
 igr2= 578, 579, 580,
 &end
#
#   63 ASN  HD2+         63 ASN  HB+         5.50    (#   2757:20  Unique         2.30, 3.45 A)
 &rst
  ixpk= 2757, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 942, 943,
 igr2= 937, 938,
 &end
#
#    0 AMB  20-2:2758     0 AMB  20-1:2758   5.50    (#   2758:20  Double Ambig)
 &rst
  ixpk= 2758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 942, 943, 132,
 igr2= 937, 938, 592, 593,
 &end
#
#   40 PHE  HN           40 PHE  HB+         5.50    (#   2759:20  Unique         2.63, 3.25 A)
 &rst
  ixpk= 2759, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 592, 593,
 &end
#
#   40 PHE  HN           40 PHE  HB-         5.50    (#   2760:20  Unique         2.63, 3.25 A)
 &rst
  ixpk= 2760, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 592, 593,
 &end
#
#    0 AMB  20-2:2761     0 AMB  20-1:2761   3.50    (#   2761:20  Double Ambig)
 &rst
  ixpk= 2761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 592, 593,1479,1480,
 igr2= 590,1477,
 &end
#
#   41 ALA  MB           40 PHE  HA          5.50    (#   2762:20  Unique         4.91, 5.63 A)
 &rst
  ixpk= 2762, nxpk= 20, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 612, 613, 614,
 &end
#
#   66 SER  HB-          41 ALA  MB          4.50    (#   2763:20  Unique         2.18, 3.85 A)
 &rst
  ixpk= 2763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 984, 985,
 igr2= 612, 613, 614,
 &end
#
#   68 PRO  HD-          41 ALA  MB          5.50    (#   2764:20  Unique         4.20, 5.55 A)
 &rst
  ixpk= 2764, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1003,1004,
 igr2= 612, 613, 614,
 &end
#
#    0 AMB  20-2:2768     0 AMB  20-1:2768   5.50    (#   2768:20  Double Ambig)
 &rst
  ixpk= 2768, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 633, 634,1119,1120,1068,1069,1006,1007,
 igr2= 622, 623,1134,1135, 622, 623,
 &end
#
#   44 ASN  HN           43 PRO  HB+         7.00    (#   2769:20  Unique         2.73, 3.84 A)
 &rst
  ixpk= 2769, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 636, 637,
 &end
#
#   44 ASN  HN           43 PRO  HB-         5.50    (#   2770:20  Unique         2.73, 3.84 A)
 &rst
  ixpk= 2770, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 636, 637,
 &end
#
#  125 ASP  HA          128 LYS  HB+         4.50    (#   2771:20  Unique         2.13, 3.40 A)
 &rst
  ixpk= 2771, nxpk= 20, iat=1892,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1946,1947,
 &end
#
#   44 ASN  HN           43 PRO  HA          5.50    (#   2772:20  Unique         2.32, 3.03 A)
 &rst
  ixpk= 2772, nxpk= 20, iat= 643, 639, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 GLY  HN           43 PRO  HA          5.50    (#   2773:20  Unique         3.18, 3.93 A)
 &rst
  ixpk= 2773, nxpk= 20, iat= 657, 639, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 SER  HA           43 PRO  HA          5.50    (#   2774:20  Unique         2.17, 2.53 A)
 &rst
  ixpk= 2774, nxpk= 20, iat= 993, 639, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 PRO  HD-          43 PRO  HA          5.50    (#   2776:20  Unique         3.67, 4.15 A)
 &rst
  ixpk= 2776, nxpk= 20, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1003,1004,
 &end
#
#    0 AMB  20-2:2777    43 PRO  HA          4.50    (#   2777:20  Single Ambig)
 &rst
  ixpk= 2777, nxpk= 20, iat=  -1, 639, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 630, 631, 995, 996, 622, 623,
 &end
#
#    0 AMB  20-2:2778    43 PRO  HD-         3.00    (#   2778:20  Single Ambig)
 &rst
  ixpk= 2778, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 633, 634,1006,1007,
 igr2= 630, 631,
 &end
#
#   43 PRO  HB+          43 PRO  HD+         5.50    (#   2779:20  Unique         2.63, 3.61 A)
 &rst
  ixpk= 2779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 636, 637,
 igr2= 630, 631,
 &end
#
#   43 PRO  HB+          43 PRO  HD-         5.50    (#   2780:20  Unique         2.63, 3.61 A)
 &rst
  ixpk= 2780, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 636, 637,
 igr2= 630, 631,
 &end
#
#   44 ASN  HB+          44 ASN  HA          3.50    (#   2781:20  Unique         2.18, 2.63 A)
 &rst
  ixpk= 2781, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 647, 648,
 &end
#
#   44 ASN  HN           44 ASN  HB+         7.00    (#   2782:20  Unique         2.92, 3.31 A)
 &rst
  ixpk= 2782, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 647, 648,
 &end
#
#   44 ASN  HN           44 ASN  HB-         7.00    (#   2783:20  Unique         2.92, 3.31 A)
 &rst
  ixpk= 2783, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 647, 648,
 &end
#
#   44 ASN  HD2+         44 ASN  HB+         5.50    (#   2784:20  Unique         2.27, 3.27 A)
 &rst
  ixpk= 2784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 652, 653,
 igr2= 647, 648,
 &end
#
#   44 ASN  HD2+         44 ASN  HB-         5.50    (#   2785:20  Unique         2.27, 3.27 A)
 &rst
  ixpk= 2785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 652, 653,
 igr2= 647, 648,
 &end
#
#   44 ASN  HD2-         44 ASN  HB+         5.50    (#   2786:20  Unique         2.27, 3.27 A)
 &rst
  ixpk= 2786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 652, 653,
 igr2= 647, 648,
 &end
#
#   44 ASN  HD2-         44 ASN  HB-         5.50    (#   2787:20  Unique         2.27, 3.27 A)
 &rst
  ixpk= 2787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 652, 653,
 igr2= 647, 648,
 &end
#
#   43 PRO  HB-          44 ASN  HB+         7.00    (#   2789:20  Unique         3.45, 4.98 A)
 &rst
  ixpk= 2789, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 636, 637,
 igr2= 647, 648,
 &end
#
#   43 PRO  HB-          44 ASN  HB-         5.50    (#   2790:20  Unique         3.45, 4.98 A)
 &rst
  ixpk= 2790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 636, 637,
 igr2= 647, 648,
 &end
#
#   65 VAL  MG1          44 ASN  HB+         5.50    (#   2791:20  Unique         4.42, 5.23 A)
 &rst
  ixpk= 2791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 970, 971, 972,
 igr2= 647, 648,
 &end
#
#   65 VAL  MG1          44 ASN  HB-         5.50    (#   2792:20  Unique         4.42, 5.23 A)
 &rst
  ixpk= 2792, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 970, 971, 972,
 igr2= 647, 648,
 &end
#
#   65 VAL  HA           46 LYS  HB-         5.50    (#   2797:20  Unique         2.53, 3.02 A)
 &rst
  ixpk= 2797, nxpk= 20, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 668, 669,
 &end
#
#    0 AMB  20-2:2799     0 AMB  20-1:2799   3.00    (#   2799:20  Double Ambig)
 &rst
  ixpk= 2799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 674, 675,2293,2294,
 igr2= 671, 672,2290,2291,
 &end
#
#   47 ALA  HN           46 LYS  HG+         5.50    (#   2800:20  Unique         2.97, 4.19 A)
 &rst
  ixpk= 2800, nxpk= 20, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 671, 672,
 &end
#
#   46 LYS  HN           46 LYS  HD+         5.50    (#   2801:20  Unique         4.03, 5.08 A)
 &rst
  ixpk= 2801, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 674, 675,
 &end
#
#   47 ALA  HN           46 LYS  HD+         5.50    (#   2802:20  Unique         4.15, 5.34 A)
 &rst
  ixpk= 2802, nxpk= 20, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 674, 675,
 &end
#
#    0 AMB  20-2:2803     0 AMB  20-1:2803   5.50    (#   2803:20  Double Ambig)
 &rst
  ixpk= 2803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 421, 966, 698,
 igr2=2274,2275, 677, 678, 677, 678,
 &end
#
#    0 AMB  20-2:2804     0 AMB  20-1:2804   5.50    (#   2804:20  Double Ambig)
 &rst
  ixpk= 2804, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=2261,1765, 434,
 igr2=2274,2275, 188, 189,2274,2275,
 &end
#
#    0 AMB  20-2:2805     0 AMB  20-1:2805   5.50    (#   2805:20  Double Ambig)
 &rst
  ixpk= 2805, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 441, 664,
 igr2=2274,2275, 677, 678,
 &end
#
#   46 LYS  HB+          46 LYS  HA          5.50    (#   2806:20  Unique         2.36, 2.46 A)
 &rst
  ixpk= 2806, nxpk= 20, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 668, 669,
 &end
#
#   46 LYS  HB-          46 LYS  HA          5.50    (#   2807:20  Unique         2.36, 2.46 A)
 &rst
  ixpk= 2807, nxpk= 20, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 668, 669,
 &end
#
#   46 LYS  HG+          46 LYS  HA          5.50    (#   2808:20  Unique         2.60, 3.72 A)
 &rst
  ixpk= 2808, nxpk= 20, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 671, 672,
 &end
#
#   47 ALA  MB           46 LYS  HA          5.50    (#   2809:20  Unique         4.35, 5.06 A)
 &rst
  ixpk= 2809, nxpk= 20, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 690, 691, 692,
 &end
#
#   46 LYS  HN           46 LYS  HA          5.50    (#   2811:20  Unique         2.87, 2.92 A)
 &rst
  ixpk= 2811, nxpk= 20, iat= 664, 666, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 VAL  HN           47 ALA  MB          5.50    (#   2812:20  Unique         3.26, 4.30 A)
 &rst
  ixpk= 2812, nxpk= 20, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 690, 691, 692,
 &end
#
#   51 ALA  HN           47 ALA  MB          5.50    (#   2813:20  Unique         4.89, 6.08 A)
 &rst
  ixpk= 2813, nxpk= 20, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 690, 691, 692,
 &end
#
#   52 VAL  HA           47 ALA  MB          5.50    (#   2814:20  Unique         3.57, 4.38 A)
 &rst
  ixpk= 2814, nxpk= 20, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 690, 691, 692,
 &end
#
#   52 VAL  HB           47 ALA  MB          5.50    (#   2815:20  Unique         2.31, 3.08 A)
 &rst
  ixpk= 2815, nxpk= 20, iat= 755,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 690, 691, 692,
 &end
#
#   49 PRO  HD2          48 THR  HA          4.50    (#   2817:20  Unique         2.52, 2.83 A)
 &rst
  ixpk= 2817, nxpk= 20, iat= 711, 698, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 PRO  HD3          48 THR  HA          3.50    (#   2818:20  Unique         2.13, 2.26 A)
 &rst
  ixpk= 2818, nxpk= 20, iat= 712, 698, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 LYS  HA           65 VAL  HA          4.50    (#   2821:20  Unique         1.98, 2.29 A)
 &rst
  ixpk= 2821, nxpk= 20, iat= 666, 966, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2823    65 VAL  HA          5.50    (#   2823:20  Single Ambig)
 &rst
  ixpk= 2823, nxpk= 20, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 686, 657,
 &end
#
#   46 LYS  HN            0 AMB  20-1:2824   7.00    (#   2824:20  Single Ambig)
 &rst
  ixpk= 2824, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 966, 698,
 &end
#
#   49 PRO  HD2          48 THR  MG2         4.50    (#   2827:20  Unique         4.03, 4.66 A)
 &rst
  ixpk= 2827, nxpk= 20, iat= 711,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 702, 703, 704,
 &end
#
#   51 ALA  HA           48 THR  MG2         5.50    (#   2828:20  Unique         5.21, 6.44 A)
 &rst
  ixpk= 2828, nxpk= 20, iat= 743,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 702, 703, 704,
 &end
#
#   11 THR  HB           48 THR  MG2         4.50    (#   2829:20  Unique         2.31, 3.19 A)
 &rst
  ixpk= 2829, nxpk= 20, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 702, 703, 704,
 &end
#
#  127 TYR  QD           48 THR  MG2         5.50    (#   2830:20  Unique         5.43, 7.21 A)
 &rst
  ixpk= 2830, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1929,1938,
 igr2= 702, 703, 704,
 &end
#
#   49 PRO  QB           48 THR  MG2         7.00    (#   2832:20  Unique         6.93, 7.77 A)
 &rst
  ixpk= 2832, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 717, 718,
 igr2= 702, 703, 704,
 &end
#
#  124 ILE  HG1-         50 HIS  HA          5.50    (#   2833:20  Unique         2.70, 5.04 A)
 &rst
  ixpk= 2833, nxpk= 20, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1881,1882,
 &end
#
#    0 AMB  20-2:2834     0 AMB  20-1:2834   5.50    (#   2834:20  Double Ambig)
 &rst
  ixpk= 2834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 774, 775,2087,2088,2035,2036, 755,
 igr2= 726,2021,
 &end
#
#    0 AMB  20-2:2835   113 HIS  HA          3.50    (#   2835:20  Single Ambig)
 &rst
  ixpk= 2835, nxpk= 20, iat=  -1,1731, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1729,1645,
 &end
#
#  132 ASP  HB+         132 ASP  HA          3.50    (#   2837:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 2837, nxpk= 20, iat=  -1,2021, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2023,2024,
 &end
#
#  124 ILE  HA          124 ILE  HG1-        5.50    (#   2838:20  Unique         2.48, 3.47 A)
 &rst
  ixpk= 2838, nxpk= 20, iat=1873,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1881,1882,
 &end
#
#    0 AMB  20-2:2840    51 ALA  MB          5.50    (#   2840:20  Single Ambig)
 &rst
  ixpk= 2840, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 767, 782,
 igr2= 745, 746, 747,
 &end
#
#   16 MET  HA           51 ALA  MB          5.50    (#   2841:20  Unique         4.61, 5.80 A)
 &rst
  ixpk= 2841, nxpk= 20, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 745, 746, 747,
 &end
#
#   52 VAL  HA           51 ALA  MB          5.50    (#   2842:20  Unique         4.17, 4.70 A)
 &rst
  ixpk= 2842, nxpk= 20, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 745, 746, 747,
 &end
#
#    0 AMB  20-2:2843    51 ALA  MB          5.50    (#   2843:20  Single Ambig)
 &rst
  ixpk= 2843, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 155, 726,
 igr2= 745, 746, 747,
 &end
#
#  127 TYR  HB-          51 ALA  MB          5.50    (#   2844:20  Unique         4.65, 5.90 A)
 &rst
  ixpk= 2844, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1925,1926,
 igr2= 745, 746, 747,
 &end
#
#   52 VAL  HB           51 ALA  MB          5.50    (#   2845:20  Unique         3.70, 4.68 A)
 &rst
  ixpk= 2845, nxpk= 20, iat= 755,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 745, 746, 747,
 &end
#
#   51 ALA  HN           51 ALA  HA          5.50    (#   2846:20  Unique         2.84, 2.85 A)
 &rst
  ixpk= 2846, nxpk= 20, iat= 741, 743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  127 TYR  HD2          51 ALA  HA          5.50    (#   2847:20  Unique         2.64, 3.96 A)
 &rst
  ixpk= 2847, nxpk= 20, iat=1929, 743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104 THR  HN          103 PHE  HA          5.50    (#   2848:20  Unique         2.25, 2.30 A)
 &rst
  ixpk= 2848, nxpk= 20, iat=1590,1572, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 VAL  HN           52 VAL  HA          5.50    (#   2849:20  Unique         2.80, 2.81 A)
 &rst
  ixpk= 2849, nxpk= 20, iat= 751, 753, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2851     0 AMB  20-1:2851   4.50    (#   2851:20  Double Ambig)
 &rst
  ixpk= 2851, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 753,1003,1004,
 igr2= 755,1009,1010,
 &end
#
#  109 VAL  HB          109 VAL  MG1         3.00    (#   2852:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 2852, nxpk= 20, iat=1685,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1687,1688,1689,
 &end
#
#   69 LEU  HB+          37 ALA  MB          3.50    (#   2853:20  Unique         2.29, 3.67 A)
 &rst
  ixpk= 2853, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1020,1021,
 igr2= 559, 560, 561,
 &end
#
#  148 ASP  HB+         145 LEU  MD2         5.50    (#   2855:20  Unique         2.73, 6.79 A)
 &rst
  ixpk= 2855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2309,2310,
 igr2=2255,2256,2257,
 &end
#
#   46 LYS  HE+          65 VAL  MG1         5.50    (#   2856:20  Unique         5.36, 7.40 A)
 &rst
  ixpk= 2856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 677, 678,
 igr2= 970, 971, 972,
 &end
#
#   44 ASN  HB+          65 VAL  MG1         5.50    (#   2857:20  Unique         4.42, 5.23 A)
 &rst
  ixpk= 2857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 647, 648,
 igr2= 970, 971, 972,
 &end
#
#   44 ASN  HB-          65 VAL  MG1         5.50    (#   2858:20  Unique         4.42, 5.23 A)
 &rst
  ixpk= 2858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 647, 648,
 igr2= 970, 971, 972,
 &end
#
#   56 PHE  HB+          52 VAL  MG1         5.50    (#   2859:20  Unique         4.27, 5.80 A)
 &rst
  ixpk= 2859, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 815, 816,
 igr2= 757, 758, 759,
 &end
#
#   11 THR  HB           11 THR  MG2         3.50    (#   2860:20  Unique         2.41, 2.66 A)
 &rst
  ixpk= 2860, nxpk= 20, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 159, 160, 161,
 &end
#
#   48 THR  HN           11 THR  MG2         5.50    (#   2861:20  Unique         3.29, 5.18 A)
 &rst
  ixpk= 2861, nxpk= 20, iat= 696,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 159, 160, 161,
 &end
#
#   56 PHE  HB-          53 GLU  HA          5.50    (#   2862:20  Unique         2.26, 2.79 A)
 &rst
  ixpk= 2862, nxpk= 20, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 815, 816,
 &end
#
#    0 AMB  20-2:2863     0 AMB  20-1:2863   4.50    (#   2863:20  Double Ambig)
 &rst
  ixpk= 2863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 405, 406, 815, 816,2143,2144,
 igr2= 397, 769,2082,
 &end
#
#   25 ALA  HN           27 ARG  HB+         6.00    (#   2864:20  Unique         5.18, 6.35 A)
 &rst
  ixpk= 2864, nxpk= 20, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 399, 400,
 &end
#
#   50 HIS  HD           53 GLU  HG+         5.50    (#   2865:20  Unique         3.57, 4.80 A)
 &rst
  ixpk= 2865, nxpk= 20, iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 774, 775,
 &end
#
#   50 HIS  HA           53 GLU  HG+         5.50    (#   2866:20  Unique         3.90, 4.54 A)
 &rst
  ixpk= 2866, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 774, 775,
 &end
#
#    0 AMB  20-2:2867     0 AMB  20-1:2867   5.50    (#   2867:20  Double Ambig)
 &rst
  ixpk= 2867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1731, 726,
 igr2=1652,1653, 774, 775,
 &end
#
#    0 AMB  20-2:2868     0 AMB  20-1:2868   5.50    (#   2868:20  Double Ambig)
 &rst
  ixpk= 2868, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 815, 816, 405, 406,
 igr2= 774, 775, 426, 427,
 &end
#
#    0 AMB  20-2:2869    28 GLU  HG-         5.50    (#   2869:20  Single Ambig)
 &rst
  ixpk= 2869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 353, 372,
 igr2= 426, 427,
 &end
#
#    0 AMB  20-2:2870     0 AMB  20-1:2870   5.50    (#   2870:20  Double Ambig)
 &rst
  ixpk= 2870, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 353, 372,
 igr2= 426, 427, 426, 427,
 &end
#
#    0 AMB  20-2:2871    54 ALA  MB          4.50    (#   2871:20  Single Ambig)
 &rst
  ixpk= 2871, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1944,1873,
 igr2= 786, 787, 788,
 &end
#
#   58 LYS  HE+          54 ALA  MB          5.50    (#   2872:20  Unique         4.85, 6.58 A)
 &rst
  ixpk= 2872, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 859, 860,
 igr2= 786, 787, 788,
 &end
#
#    0 AMB  20-2:2873    54 ALA  MB          5.50    (#   2873:20  Single Ambig)
 &rst
  ixpk= 2873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 774, 775, 755,
 igr2= 786, 787, 788,
 &end
#
#    0 AMB  20-2:2874    54 ALA  MB          5.50    (#   2874:20  Single Ambig)
 &rst
  ixpk= 2874, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 751, 831,
 igr2= 786, 787, 788,
 &end
#
#  127 TYR  HD2          54 ALA  MB          5.50    (#   2875:20  Unique         4.12, 5.28 A)
 &rst
  ixpk= 2875, nxpk= 20, iat=1929,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 786, 787, 788,
 &end
#
#   57 GLU  HN           54 ALA  HA          5.50    (#   2876:20  Unique         3.42, 3.52 A)
 &rst
  ixpk= 2876, nxpk= 20, iat= 831, 784, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 LYS  HE+          54 ALA  HA          7.00    (#   2877:20  Unique         5.86, 6.85 A)
 &rst
  ixpk= 2877, nxpk= 20, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 859, 860,
 &end
#
#    0 AMB  20-2:2878    54 ALA  HA          5.50    (#   2878:20  Single Ambig)
 &rst
  ixpk= 2878, nxpk= 20, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 835, 836,1946,1947,
 &end
#
#   55 LEU  HN           55 LEU  HB+         5.50    (#   2879:20  Unique         2.17, 2.91 A)
 &rst
  ixpk= 2879, nxpk= 20, iat= 792,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 796, 797,
 &end
#
#    0 AMB  20-2:2880     0 AMB  20-1:2880   5.50    (#   2880:20  Double Ambig)
 &rst
  ixpk= 2880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 811, 782,
 igr2= 796, 797, 796, 797,
 &end
#
#    0 AMB  20-2:2881     0 AMB  20-1:2881   5.50    (#   2881:20  Double Ambig)
 &rst
  ixpk= 2881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 811, 782,
 igr2= 796, 797, 796, 797,
 &end
#
#   55 LEU  HA           55 LEU  HB+         5.50    (#   2882:20  Unique         2.60, 2.81 A)
 &rst
  ixpk= 2882, nxpk= 20, iat= 794,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 796, 797,
 &end
#
#   57 GLU  HN           56 PHE  HB+         5.50    (#   2883:20  Unique         2.72, 3.36 A)
 &rst
  ixpk= 2883, nxpk= 20, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 815, 816,
 &end
#
#   52 VAL  MG1          56 PHE  HB-         5.50    (#   2886:20  Unique         4.27, 5.80 A)
 &rst
  ixpk= 2886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 757, 758, 759,
 igr2= 815, 816,
 &end
#
#   56 PHE  HB-          56 PHE  HA          4.50    (#   2887:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 2887, nxpk= 20, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 815, 816,
 &end
#
#   56 PHE  HB+          56 PHE  HA          4.50    (#   2888:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 2888, nxpk= 20, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 815, 816,
 &end
#
#   58 LYS  HN           57 GLU  HB+         5.50    (#   2889:20  Unique         2.66, 3.33 A)
 &rst
  ixpk= 2889, nxpk= 20, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 835, 836,
 &end
#
#   58 LYS  HN           57 GLU  HB-         5.50    (#   2890:20  Unique         2.66, 3.33 A)
 &rst
  ixpk= 2890, nxpk= 20, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 835, 836,
 &end
#
#   72 GLU  HN           71 GLU  HG+         5.50    (#   2891:20  Unique         4.24, 4.65 A)
 &rst
  ixpk= 2891, nxpk= 20, iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1056,1057,
 &end
#
#   72 GLU  HN           71 GLU  HG-         5.50    (#   2892:20  Unique         4.24, 4.65 A)
 &rst
  ixpk= 2892, nxpk= 20, iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1056,1057,
 &end
#
#   95 PHE  QD           71 GLU  HG+         5.50    (#   2893:20  Unique         3.42, 5.13 A)
 &rst
  ixpk= 2893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1432,1440,
 igr2=1056,1057,
 &end
#
#   95 PHE  QD           71 GLU  HG-         5.50    (#   2894:20  Unique         3.42, 5.13 A)
 &rst
  ixpk= 2894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1432,1440,
 igr2=1056,1057,
 &end
#
#    0 AMB  20-2:2895    58 LYS  HA          5.50    (#   2895:20  Single Ambig)
 &rst
  ixpk= 2895, nxpk= 20, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 898, 899, 900, 286,
 &end
#
#    0 AMB  20-2:2896    58 LYS  HA          5.50    (#   2896:20  Single Ambig)
 &rst
  ixpk= 2896, nxpk= 20, iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 885, 831,
 &end
#
#  106 LYS  HN          106 LYS  HB+         5.50    (#   2897:20  Unique         2.37, 3.05 A)
 &rst
  ixpk= 2897, nxpk= 20, iat=1623,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1627,1628,
 &end
#
#   58 LYS  HN           58 LYS  HB+         5.50    (#   2898:20  Unique         2.38, 2.57 A)
 &rst
  ixpk= 2898, nxpk= 20, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 850, 851,
 &end
#
#   58 LYS  HN           58 LYS  HB-         5.50    (#   2899:20  Unique         2.38, 2.57 A)
 &rst
  ixpk= 2899, nxpk= 20, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 850, 851,
 &end
#
#   58 LYS  HG-          58 LYS  HB-         4.50    (#   2900:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 2900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 853, 854,
 igr2= 850, 851,
 &end
#
#   58 LYS  HG-          58 LYS  HB+         5.50    (#   2901:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 2901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 853, 854,
 igr2= 850, 851,
 &end
#
#   60 ILE  QD1          58 LYS  HB-         5.50    (#   2902:20  Unique         2.35, 4.19 A)
 &rst
  ixpk= 2902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 898, 899, 900,
 igr2= 850, 851,
 &end
#
#   60 ILE  QD1          58 LYS  HB+         5.50    (#   2903:20  Unique         2.35, 4.19 A)
 &rst
  ixpk= 2903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 898, 899, 900,
 igr2= 850, 851,
 &end
#
#   58 LYS  HA           58 LYS  HG+         5.50    (#   2904:20  Unique         2.30, 2.72 A)
 &rst
  ixpk= 2904, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 853, 854,
 &end
#
#   58 LYS  HE+          58 LYS  HG-         5.50    (#   2905:20  Unique         2.96, 3.72 A)
 &rst
  ixpk= 2905, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 859, 860,
 igr2= 853, 854,
 &end
#
#   58 LYS  HE-          58 LYS  HG-         5.50    (#   2906:20  Unique         2.96, 3.72 A)
 &rst
  ixpk= 2906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 859, 860,
 igr2= 853, 854,
 &end
#
#   58 LYS  HE+          58 LYS  HG+         5.50    (#   2907:20  Unique         2.96, 3.72 A)
 &rst
  ixpk= 2907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 859, 860,
 igr2= 853, 854,
 &end
#
#   58 LYS  HE-          58 LYS  HG+         5.50    (#   2908:20  Unique         2.96, 3.72 A)
 &rst
  ixpk= 2908, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 859, 860,
 igr2= 853, 854,
 &end
#
#   60 ILE  QD1          58 LYS  HG-         5.50    (#   2909:20  Unique         2.44, 3.86 A)
 &rst
  ixpk= 2909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 898, 899, 900,
 igr2= 853, 854,
 &end
#
#   60 ILE  QD1          58 LYS  HG+         4.50    (#   2910:20  Unique         2.44, 3.86 A)
 &rst
  ixpk= 2910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 898, 899, 900,
 igr2= 853, 854,
 &end
#
#   58 LYS  HB+          58 LYS  HD-         5.50    (#   2913:20  Unique         2.54, 3.29 A)
 &rst
  ixpk= 2913, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 850, 851,
 igr2= 856, 857,
 &end
#
#   58 LYS  HA           58 LYS  HE-         5.50    (#   2915:20  Unique         4.03, 4.88 A)
 &rst
  ixpk= 2915, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 859, 860,
 &end
#
#   58 LYS  HA           58 LYS  HE+         5.50    (#   2916:20  Unique         4.03, 4.88 A)
 &rst
  ixpk= 2916, nxpk= 20, iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 859, 860,
 &end
#
#   59 HIS  HN           59 HIS  HB-         5.50    (#   2919:20  Unique         3.10, 3.60 A)
 &rst
  ixpk= 2919, nxpk= 20, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 872, 873,
 &end
#
#   59 HIS  HN           59 HIS  HB+         5.50    (#   2920:20  Unique         3.10, 3.60 A)
 &rst
  ixpk= 2920, nxpk= 20, iat= 868,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 872, 873,
 &end
#
#   59 HIS  HD2          59 HIS  HB+         5.50    (#   2921:20  Unique         2.84, 3.43 A)
 &rst
  ixpk= 2921, nxpk= 20, iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 872, 873,
 &end
#
#   59 HIS  HD2          59 HIS  HB-         5.50    (#   2922:20  Unique         2.84, 3.43 A)
 &rst
  ixpk= 2922, nxpk= 20, iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 872, 873,
 &end
#
#   60 ILE  HN           59 HIS  HB+         7.00    (#   2923:20  Unique         4.43, 4.49 A)
 &rst
  ixpk= 2923, nxpk= 20, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 872, 873,
 &end
#
#    0 AMB  20-2:2924    59 HIS  HB-         5.50    (#   2924:20  Single Ambig)
 &rst
  ixpk= 2924, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 885, 831,
 igr2= 872, 873,
 &end
#
#   60 ILE  HN           60 ILE  HA          5.50    (#   2925:20  Unique         2.98, 2.98 A)
 &rst
  ixpk= 2925, nxpk= 20, iat= 885, 887, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 LEU  HB+          60 ILE  HB          4.50    (#   2926:20  Unique         2.45, 3.38 A)
 &rst
  ixpk= 2926, nxpk= 20, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 796, 797,
 &end
#
#   60 ILE  HG1+         60 ILE  HB          5.50    (#   2927:20  Unique         2.49, 2.80 A)
 &rst
  ixpk= 2927, nxpk= 20, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 895, 896,
 &end
#
#    0 AMB  20-2:2928    60 ILE  HB          5.50    (#   2928:20  Single Ambig)
 &rst
  ixpk= 2928, nxpk= 20, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 887, 813,
 &end
#
#   20 LEU  HN           60 ILE  QG2         5.50    (#   2929:20  Unique         4.25, 5.53 A)
 &rst
  ixpk= 2929, nxpk= 20, iat= 279,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 891, 892, 893,
 &end
#
#    0 AMB  20-2:2930    60 ILE  QD1         5.50    (#   2930:20  Single Ambig)
 &rst
  ixpk= 2930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 904, 811,
 igr2= 898, 899, 900,
 &end
#
#   20 LEU  HN           60 ILE  QD1         5.50    (#   2931:20  Unique         4.39, 5.25 A)
 &rst
  ixpk= 2931, nxpk= 20, iat= 279,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 898, 899, 900,
 &end
#
#    0 AMB  20-2:2932    60 ILE  QD1         5.50    (#   2932:20  Single Ambig)
 &rst
  ixpk= 2932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 351, 914,
 igr2= 898, 899, 900,
 &end
#
#   23 SER  HN           60 ILE  QD1         5.50    (#   2933:20  Unique         3.98, 5.03 A)
 &rst
  ixpk= 2933, nxpk= 20, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 898, 899, 900,
 &end
#
#   23 SER  HA           60 ILE  QD1         5.50    (#   2934:20  Unique         5.06, 5.80 A)
 &rst
  ixpk= 2934, nxpk= 20, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 898, 899, 900,
 &end
#
#   63 ASN  HD2-         61 ALA  MB          5.50    (#   2935:20  Unique         2.55, 5.17 A)
 &rst
  ixpk= 2935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 942, 943,
 igr2= 908, 909, 910,
 &end
#
#   56 PHE  QE           61 ALA  MB          5.50    (#   2936:20  Unique         2.67, 5.84 A)
 &rst
  ixpk= 2936, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 821, 825,
 igr2= 908, 909, 910,
 &end
#
#   62 LEU  HB+          62 LEU  HA          5.50    (#   2938:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 2938, nxpk= 20, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 918, 919,
 &end
#
#   62 LEU  QD1          62 LEU  HA          5.50    (#   2939:20  Unique         4.30, 4.74 A)
 &rst
  ixpk= 2939, nxpk= 20, iat=  -1, 916, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 923, 924, 925,
 &end
#
#   62 LEU  HG           62 LEU  HB+         5.50    (#   2940:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 2940, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 918, 919,
 &end
#
#   62 LEU  HG           62 LEU  HB-         5.50    (#   2941:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 2941, nxpk= 20, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 918, 919,
 &end
#
#   62 LEU  QD1          62 LEU  HB+         5.50    (#   2942:20  Unique         2.32, 3.04 A)
 &rst
  ixpk= 2942, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 923, 924, 925,
 igr2= 918, 919,
 &end
#
#   52 VAL  MG2          62 LEU  HB+         5.50    (#   2943:20  Unique         2.15, 3.87 A)
 &rst
  ixpk= 2943, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 761, 762, 763,
 igr2= 918, 919,
 &end
#
#   52 VAL  HA           62 LEU  HB-         5.50    (#   2945:20  Unique         2.08, 2.66 A)
 &rst
  ixpk= 2945, nxpk= 20, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 918, 919,
 &end
#
#   62 LEU  HA           62 LEU  HB-         5.50    (#   2946:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 2946, nxpk= 20, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 918, 919,
 &end
#
#   62 LEU  HA           62 LEU  HB+         5.50    (#   2947:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 2947, nxpk= 20, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 918, 919,
 &end
#
#   62 LEU  HN           62 LEU  HB-         5.50    (#   2948:20  Unique         2.14, 2.46 A)
 &rst
  ixpk= 2948, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 918, 919,
 &end
#
#   62 LEU  HN           62 LEU  HB+         5.50    (#   2949:20  Unique         2.14, 2.46 A)
 &rst
  ixpk= 2949, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 918, 919,
 &end
#
#   62 LEU  QD2          62 LEU  HB+         5.50    (#   2950:20  Unique         2.47, 3.59 A)
 &rst
  ixpk= 2950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 927, 928, 929,
 igr2= 918, 919,
 &end
#
#    0 AMB  20-2:2955    62 LEU  QD1         5.50    (#   2955:20  Single Ambig)
 &rst
  ixpk= 2955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 916, 155,
 igr2= 923, 924, 925,
 &end
#
#    0 AMB  20-2:2956    62 LEU  QD1         5.50    (#   2956:20  Single Ambig)
 &rst
  ixpk= 2956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 743, 223,
 igr2= 923, 924, 925,
 &end
#
#   16 MET  HA           62 LEU  QD1         5.50    (#   2957:20  Unique         2.75, 3.52 A)
 &rst
  ixpk= 2957, nxpk= 20, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 923, 924, 925,
 &end
#
#   55 LEU  HA           62 LEU  QD1         7.00    (#   2958:20  Unique         5.14, 6.36 A)
 &rst
  ixpk= 2958, nxpk= 20, iat= 794,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 923, 924, 925,
 &end
#
#   13 ARG  HA           62 LEU  QD1         5.50    (#   2959:20  Unique         5.50, 6.53 A)
 &rst
  ixpk= 2959, nxpk= 20, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 923, 924, 925,
 &end
#
#   64 HIS  HB+          62 LEU  QD1         5.50    (#   2960:20  Unique         4.66, 5.58 A)
 &rst
  ixpk= 2960, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 951, 952,
 igr2= 923, 924, 925,
 &end
#
#   64 HIS  HB-          62 LEU  QD1         5.50    (#   2961:20  Unique         4.66, 5.58 A)
 &rst
  ixpk= 2961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 951, 952,
 igr2= 923, 924, 925,
 &end
#
#   16 MET  HE1          62 LEU  QD1         5.50    (#   2962:20  Unique         4.62, 6.18 A)
 &rst
  ixpk= 2962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 238, 239, 240,
 igr2= 923, 924, 925,
 &end
#
#   52 VAL  HN           62 LEU  QD1         5.50    (#   2964:20  Unique         3.39, 4.41 A)
 &rst
  ixpk= 2964, nxpk= 20, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 923, 924, 925,
 &end
#
#   16 MET  HN           62 LEU  QD1         5.50    (#   2965:20  Unique         3.32, 4.50 A)
 &rst
  ixpk= 2965, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 923, 924, 925,
 &end
#
#   62 LEU  HN           62 LEU  QD1         5.50    (#   2966:20  Unique         4.48, 5.12 A)
 &rst
  ixpk= 2966, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 923, 924, 925,
 &end
#
#  141 LEU  HN          141 LEU  HG          5.50    (#   2967:20  Unique         4.04, 4.17 A)
 &rst
  ixpk= 2967, nxpk= 20, iat=2174,2181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  142 ALA  HN          141 LEU  HG          5.50    (#   2968:20  Unique         4.65, 4.95 A)
 &rst
  ixpk= 2968, nxpk= 20, iat=2193,2181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  108 TYR  HD2         141 LEU  HG          5.50    (#   2969:20  Unique         2.35, 2.46 A)
 &rst
  ixpk= 2969, nxpk= 20, iat=1668,2181, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100 ASP  HN           99 ARG  HG-         5.50    (#   2970:20  Unique         3.03, 4.72 A)
 &rst
  ixpk= 2970, nxpk= 20, iat=1520,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1503,1504,
 &end
#
#    0 AMB  20-2:2971    73 LEU  MD2         5.50    (#   2971:20  Single Ambig)
 &rst
  ixpk= 2971, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 544, 555, 565,
 igr2=1092,1093,1094,
 &end
#
#   35 ARG  HD+          73 LEU  MD2         5.50    (#   2972:20  Unique         3.33, 5.64 A)
 &rst
  ixpk= 2972, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 530, 531,
 igr2=1092,1093,1094,
 &end
#
#   35 ARG  HD-          73 LEU  MD2         5.50    (#   2973:20  Unique         3.33, 5.64 A)
 &rst
  ixpk= 2973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 530, 531,
 igr2=1092,1093,1094,
 &end
#
#    0 AMB  20-2:2974   141 LEU  HG          5.50    (#   2974:20  Single Ambig)
 &rst
  ixpk= 2974, nxpk= 20, iat=  -1,2181, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2249,2102,
 &end
#
#   62 LEU  HN           62 LEU  QD2         5.50    (#   2975:20  Unique         4.74, 5.28 A)
 &rst
  ixpk= 2975, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 927, 928, 929,
 &end
#
#    0 AMB  20-2:2976    62 LEU  QD2         5.50    (#   2976:20  Single Ambig)
 &rst
  ixpk= 2976, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 942, 943, 269,
 igr2= 927, 928, 929,
 &end
#
#   63 ASN  HN           63 ASN  HA          7.00    (#   2977:20  Unique         2.29, 2.59 A)
 &rst
  ixpk= 2977, nxpk= 20, iat= 933, 935, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   63 ASN  HD2-         63 ASN  HB-         7.00    (#   2978:20  Unique         2.30, 3.45 A)
 &rst
  ixpk= 2978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 942, 943,
 igr2= 937, 938,
 &end
#
#    0 AMB  20-2:2979     0 AMB  20-1:2979   5.50    (#   2979:20  Double Ambig)
 &rst
  ixpk= 2979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 908, 909, 910, 921,
 igr2= 937, 938, 937, 938,
 &end
#
#   60 ILE  HN           60 ILE  HG1-        5.50    (#   2980:20  Unique         2.86, 3.51 A)
 &rst
  ixpk= 2980, nxpk= 20, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 895, 896,
 &end
#
#   60 ILE  HN           60 ILE  HG1+        5.50    (#   2981:20  Unique         2.86, 3.51 A)
 &rst
  ixpk= 2981, nxpk= 20, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 895, 896,
 &end
#
#   82 ALA  HN           82 ALA  HA          5.50    (#   2982:20  Unique         2.92, 2.94 A)
 &rst
  ixpk= 2982, nxpk= 20, iat=1217,1219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   82 ALA  HN          104 THR  HA          5.50    (#   2983:20  Unique         2.69, 2.82 A)
 &rst
  ixpk= 2983, nxpk= 20, iat=1217,1592, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2984   106 LYS  HA          5.50    (#   2984:20  Single Ambig)
 &rst
  ixpk= 2984, nxpk= 20, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1697,1645,
 &end
#
#  109 VAL  HN          106 LYS  HA          5.50    (#   2985:20  Unique         3.30, 3.49 A)
 &rst
  ixpk= 2985, nxpk= 20, iat=1681,1625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106 LYS  HN          106 LYS  HA          5.50    (#   2986:20  Unique         2.91, 2.95 A)
 &rst
  ixpk= 2986, nxpk= 20, iat=1623,1625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106 LYS  HE-         106 LYS  HA          7.00    (#   2987:20  Unique         4.08, 4.48 A)
 &rst
  ixpk= 2987, nxpk= 20, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1636,1637,
 &end
#
#  109 VAL  HB          106 LYS  HA          5.50    (#   2988:20  Unique         3.04, 3.29 A)
 &rst
  ixpk= 2988, nxpk= 20, iat=1685,1625, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:2989   106 LYS  HA          5.50    (#   2989:20  Single Ambig)
 &rst
  ixpk= 2989, nxpk= 20, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1613,1614,1615,1687,1688,1689,
 &end
#
#    0 AMB  20-2:2992     2 ASP  HA          5.50    (#   2992:20  Single Ambig)
 &rst
  ixpk= 2992, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 506, 492,
 &end
#
#    0 AMB  20-2:2993     2 ASP  HA          5.50    (#   2993:20  Single Ambig)
 &rst
  ixpk= 2993, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  43,  44,  37,
 &end
#
#    0 AMB  20-2:2994    79 LEU  HA          4.50    (#   2994:20  Single Ambig)
 &rst
  ixpk= 2994, nxpk= 20, iat=  -1,1165, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1192,1193,1194,1176,1177,1178,
 &end
#
#   79 LEU  HB+          79 LEU  HA          5.50    (#   2995:20  Unique         2.54, 2.82 A)
 &rst
  ixpk= 2995, nxpk= 20, iat=  -1,1165, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1167,1168,
 &end
#
#   79 LEU  HG           79 LEU  HA          5.50    (#   2996:20  Unique         2.77, 3.01 A)
 &rst
  ixpk= 2996, nxpk= 20, iat=1170,1165, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 LEU  MD1          79 LEU  HA          5.50    (#   2997:20  Unique         2.18, 3.05 A)
 &rst
  ixpk= 2997, nxpk= 20, iat=  -1,1165, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1172,1173,1174,
 &end
#
#   80 VAL  HN          102 VAL  HA          5.50    (#   2998:20  Unique         2.74, 2.89 A)
 &rst
  ixpk= 2998, nxpk= 20, iat=1182,1556, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 SER  HA            6 VAL  HA          5.50    (#   3004:20  Unique         4.10, 4.45 A)
 &rst
  ixpk= 3004, nxpk= 20, iat= 546,  93, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 PHE  HA           82 ALA  HA          5.50    (#   3005:20  Unique         4.59, 4.76 A)
 &rst
  ixpk= 3005, nxpk= 20, iat=  73,1219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81 LEU  HA          102 VAL  HA          7.00    (#   3006:20  Unique         4.15, 4.26 A)
 &rst
  ixpk= 3006, nxpk= 20, iat=1200,1556, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  20-2:3008   104 THR  HA          5.50    (#   3008:20  Single Ambig)
 &rst
  ixpk= 3008, nxpk= 20, iat=  -1,1592, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1200,1246,
 &end
#
#    2 ASP  HN            2 ASP  HA          5.50    (#   3009:20  Unique         2.90, 2.92 A)
 &rst
  ixpk= 3009, nxpk= 20, iat=  21,  23, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  102 VAL  HN          101 LYS  HA          5.50    (#   3013:20  Unique         3.12, 3.38 A)
 &rst
  ixpk= 3013, nxpk= 20, iat=1554,1534, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  102 VAL  HN          102 VAL  HA          5.50    (#   3014:20  Unique         2.90, 2.93 A)
 &rst
  ixpk= 3014, nxpk= 20, iat=1554,1556, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  103 PHE  HN          103 PHE  HA          7.00    (#   3015:20  Unique         2.95, 2.95 A)
 &rst
  ixpk= 3015, nxpk= 20, iat=1570,1572, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  104 THR  HN          104 THR  HA          7.00    (#   3016:20  Unique         2.91, 2.92 A)
 &rst
  ixpk= 3016, nxpk= 20, iat=1590,1592, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  20-2:3017     0 AMB  20-1:3017   5.50    (#   3017:20  Double Ambig)
 &rst
  ixpk= 3017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1753,  33,
 igr2=1757,1758,  25,  26,
 &end
#
#    4 ILE  HN            3 ILE  HB          5.50    (#   3018:20  Unique         3.89, 4.07 A)
 &rst
  ixpk= 3018, nxpk= 20, iat=  52,  37, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 PHE  HN            4 ILE  HB          5.50    (#   3019:20  Unique         4.25, 4.32 A)
 &rst
  ixpk= 3019, nxpk= 20, iat=  71,  56, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 LEU  HN           78 ASP  HB+         5.50    (#   3020:20  Unique         2.99, 3.68 A)
 &rst
  ixpk= 3020, nxpk= 20, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1155,1156,
 &end
#
#   79 LEU  HN           78 ASP  HB-         5.50    (#   3021:20  Unique         2.99, 3.68 A)
 &rst
  ixpk= 3021, nxpk= 20, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1155,1156,
 &end
#
#   80 VAL  HN           79 LEU  HB+         5.50    (#   3022:20  Unique         3.70, 4.07 A)
 &rst
  ixpk= 3022, nxpk= 20, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1167,1168,
 &end
#
#   81 LEU  HN           81 LEU  HB+         5.50    (#   3023:20  Unique         2.58, 2.92 A)
 &rst
  ixpk= 3023, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1202,1203,
 &end
#
#   81 LEU  HN           81 LEU  HB-         5.50    (#   3024:20  Unique         2.58, 2.92 A)
 &rst
  ixpk= 3024, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1202,1203,
 &end
#
#   82 ALA  HN           81 LEU  HB+         5.50    (#   3025:20  Unique         4.05, 4.38 A)
 &rst
  ixpk= 3025, nxpk= 20, iat=1217,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1202,1203,
 &end
#
#  101 LYS  HN          101 LYS  HB-         5.50    (#   3026:20  Unique         2.28, 3.14 A)
 &rst
  ixpk= 3026, nxpk= 20, iat=1532,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1536,1537,
 &end
#
#  101 LYS  HN          101 LYS  HB+         5.50    (#   3027:20  Unique         2.28, 3.14 A)
 &rst
  ixpk= 3027, nxpk= 20, iat=1532,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1536,1537,
 &end
#
#  102 VAL  HN          101 LYS  HB+         5.50    (#   3028:20  Unique         3.21, 4.09 A)
 &rst
  ixpk= 3028, nxpk= 20, iat=1554,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1536,1537,
 &end
#
#  102 VAL  HN          101 LYS  HB-         7.00    (#   3029:20  Unique         3.21, 4.09 A)
 &rst
  ixpk= 3029, nxpk= 20, iat=1554,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1536,1537,
 &end
#
#  103 PHE  HA          103 PHE  HB+         5.50    (#   3030:20  Unique         2.47, 2.77 A)
 &rst
  ixpk= 3030, nxpk= 20, iat=1572,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1574,1575,
 &end
#
#   81 LEU  HG          103 PHE  HB+         5.50    (#   3033:20  Unique         2.83, 3.69 A)
 &rst
  ixpk= 3033, nxpk= 20, iat=1205,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1574,1575,
 &end
#
#   81 LEU  HG          103 PHE  HB-         5.50    (#   3034:20  Unique         2.83, 3.69 A)
 &rst
  ixpk= 3034, nxpk= 20, iat=1205,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1574,1575,
 &end
#
#    0 AMB  20-2:3035     0 AMB  20-1:3035   7.00    (#   3035:20  Double Ambig)
 &rst
  ixpk= 3035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.53, r4=12.03,
 igr1=1202,1203,1564,1565,1566,
 igr2=1574,1575,1574,1575,
 &end
#
#  107 GLU  HG-         103 PHE  HB+         5.50    (#   3037:20  Unique         3.21, 5.16 A)
 &rst
  ixpk= 3037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1652,1653,
 igr2=1574,1575,
 &end
#
#  108 TYR  HB+         103 PHE  HB-         5.50    (#   3038:20  Unique         2.27, 3.29 A)
 &rst
  ixpk= 3038, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1664,1665,
 igr2=1574,1575,
 &end
#
#  107 GLU  HG+         103 PHE  HB-         7.00    (#   3039:20  Unique         3.21, 5.16 A)
 &rst
  ixpk= 3039, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1652,1653,
 igr2=1574,1575,
 &end
#
#  108 TYR  HB+         103 PHE  HB+         5.50    (#   3040:20  Unique         2.27, 3.29 A)
 &rst
  ixpk= 3040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1664,1665,
 igr2=1574,1575,
 &end
#
#  107 GLU  HG+         103 PHE  HB+         7.00    (#   3041:20  Unique         3.21, 5.16 A)
 &rst
  ixpk= 3041, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1652,1653,
 igr2=1574,1575,
 &end
#
#    0 AMB  20-2:3042    16 MET  HE1         5.50    (#   3042:20  Single Ambig)
 &rst
  ixpk= 3042, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1921,1964,
 igr2= 238, 239, 240,
 &end
#
#  131 ARG  HA           16 MET  HE1         5.50    (#   3043:20  Unique         3.13, 4.03 A)
 &rst
  ixpk= 3043, nxpk= 20, iat=1997,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 238, 239, 240,
 &end
#
#    0 AMB  20-2:3045    74 MET  HE          7.00    (#   3045:20  Single Ambig)
 &rst
  ixpk= 3045, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1386,1451,
 igr2=1109,1110,1111,
 &end
#
#    0 AMB  20-2:3046    74 MET  HE          7.00    (#   3046:20  Single Ambig)
 &rst
  ixpk= 3046, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1520,1182,
 igr2=1109,1110,1111,
 &end
#
#   95 PHE  HN           74 MET  HE          5.50    (#   3048:20  Unique         5.85, 6.88 A)
 &rst
  ixpk= 3048, nxpk= 20, iat=1424,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1109,1110,1111,
 &end
#
#   75 GLU  HN           74 MET  HE          5.50    (#   3049:20  Unique         5.75, 6.31 A)
 &rst
  ixpk= 3049, nxpk= 20, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1109,1110,1111,
 &end
#
#  101 LYS  HN           74 MET  HE          7.00    (#   3050:20  Unique         3.68, 4.99 A)
 &rst
  ixpk= 3050, nxpk= 20, iat=1532,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1109,1110,1111,
 &end
#
#   95 PHE  HA           74 MET  HE          7.00    (#   3051:20  Unique         5.56, 6.97 A)
 &rst
  ixpk= 3051, nxpk= 20, iat=1426,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1109,1110,1111,
 &end
#
#   80 VAL  HA           74 MET  HE          7.00    (#   3053:20  Unique         6.03, 6.88 A)
 &rst
  ixpk= 3053, nxpk= 20, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1109,1110,1111,
 &end
#
#  102 VAL  HN           74 MET  HE          5.50    (#   3054:20  Unique         4.29, 5.63 A)
 &rst
  ixpk= 3054, nxpk= 20, iat=1554,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1109,1110,1111,
 &end
#
#  116 VAL  MG1          13 ARG  HD+         5.50    (#   3056:20  Unique         2.70, 4.49 A)
 &rst
  ixpk= 3056, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1771,1772,1773,
 igr2= 188, 189,
 &end
#
#    0 AMB  20-2:3057     0 AMB  20-1:3057   5.50    (#   3057:20  Double Ambig)
 &rst
  ixpk= 3057, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 256, 320,1983,
 igr2= 331, 332, 331, 332, 188, 189,
 &end
#
#    0 AMB  20-2:3058     0 AMB  20-1:3058   7.00    (#   3058:20  Double Ambig)
 &rst
  ixpk= 3058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 492, 506,
 igr2= 331, 332, 331, 332,
 &end
#
#    0 AMB  20-2:3059     0 AMB  20-1:3059   5.50    (#   3059:20  Double Ambig)
 &rst
  ixpk= 3059, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 318, 178,1995,
 igr2= 331, 332, 188, 189, 188, 189,
 &end
#
#   34 VAL  HN           22 LYS  HE+         7.00    (#   3060:20  Unique         3.23, 4.87 A)
 &rst
  ixpk= 3060, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 331, 332,
 &end
#
#  134 LEU  HN          133 GLU  HG-         5.50    (#   3061:20  Unique         3.72, 4.33 A)
 &rst
  ixpk= 3061, nxpk= 20, iat=2046,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2038,2039,
 &end
#
#  130 THR  HA          133 GLU  HG-         5.50    (#   3062:20  Unique         4.85, 5.54 A)
 &rst
  ixpk= 3062, nxpk= 20, iat=1983,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2038,2039,
 &end
#
#  116 VAL  MG1         133 GLU  HG-         5.50    (#   3063:20  Unique         2.17, 3.88 A)
 &rst
  ixpk= 3063, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1771,1772,1773,
 igr2=2038,2039,
 &end
#
#  133 GLU  HN            0 AMB  20-1:3064   5.50    (#   3064:20  Single Ambig)
 &rst
  ixpk= 3064, nxpk= 20, iat=2031,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=2038,2039,2087,2088,
 &end
#
#  134 LEU  HN          133 GLU  HG+         7.00    (#   3065:20  Unique         3.72, 4.33 A)
 &rst
  ixpk= 3065, nxpk= 20, iat=2046,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2038,2039,
 &end
#
#  116 VAL  MG1         133 GLU  HG+         5.50    (#   3067:20  Unique         2.17, 3.88 A)
 &rst
  ixpk= 3067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1771,1772,1773,
 igr2=2038,2039,
 &end
#
#  133 GLU  HN          133 GLU  HB+         5.50    (#   3068:20  Unique         2.38, 2.53 A)
 &rst
  ixpk= 3068, nxpk= 20, iat=2031,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2035,2036,
 &end
#
#  117 LEU  MD1         133 GLU  HB+         5.50    (#   3069:20  Unique         4.68, 6.29 A)
 &rst
  ixpk= 3069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1790,1791,1792,
 igr2=2035,2036,
 &end
#
#  134 LEU  HN          133 GLU  HB+         5.50    (#   3070:20  Unique         2.59, 3.26 A)
 &rst
  ixpk= 3070, nxpk= 20, iat=2046,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2035,2036,
 &end
#
#    0 AMB  20-2:3084    81 LEU  MD1         5.50    (#   3084:20  Single Ambig)
 &rst
  ixpk= 3084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1691,1692,1693,1167,1168,2121,
 igr2=1207,1208,1209,
 &end
#
#    3 ILE  HB           81 LEU  MD1         5.50    (#   3085:20  Unique         5.07, 6.17 A)
 &rst
  ixpk= 3085, nxpk= 20, iat=  37,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1207,1208,1209,
 &end
#
#    0 AMB  20-2:3086    81 LEU  MD1         5.50    (#   3086:20  Single Ambig)
 &rst
  ixpk= 3086, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1238,1239,1240,  15,  16,  17,2102,2249,
 igr2=1207,1208,1209,
 &end
#
#  105 LEU  HA           81 LEU  MD1         5.50    (#   3087:20  Unique         3.98, 4.82 A)
 &rst
  ixpk= 3087, nxpk= 20, iat=1606,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1207,1208,1209,
 &end
#
#   81 LEU  HA           81 LEU  MD1         5.50    (#   3088:20  Unique         4.25, 4.45 A)
 &rst
  ixpk= 3088, nxpk= 20, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1207,1208,1209,
 &end
#
#  108 TYR  QE           81 LEU  MD1         5.50    (#   3089:20  Unique         3.75, 5.42 A)
 &rst
  ixpk= 3089, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1670,1675,
 igr2=1207,1208,1209,
 &end
#
#  108 TYR  HD1          81 LEU  MD1         5.50    (#   3090:20  Unique         2.52, 3.79 A)
 &rst
  ixpk= 3090, nxpk= 20, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1207,1208,1209,
 &end
#
#  142 ALA  HA          145 LEU  MD1         5.50    (#   3091:20  Unique         3.10, 4.28 A)
 &rst
  ixpk= 3091, nxpk= 20, iat=2195,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2251,2252,2253,
 &end
#
#    0 AMB  20-2:3092   105 LEU  MD1         3.00    (#   3092:20  Single Ambig)
 &rst
  ixpk= 3092, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=2123,2124,2125,2183,2184,2185,
 igr2=1613,1614,1615,
 &end
#
#    8 THR  HB            8 THR  MG2         3.50    (#   3093:20  Unique         2.41, 2.66 A)
 &rst
  ixpk= 3093, nxpk= 20, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 124, 125, 126,
 &end
#
#   40 PHE  HA            8 THR  MG2         7.00    (#   3094:20  Unique         5.13, 7.07 A)
 &rst
  ixpk= 3094, nxpk= 20, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 124, 125, 126,
 &end
#
#   87 HIS  HD2           8 THR  MG2         5.50    (#   3095:20  Unique         2.41, 4.15 A)
 &rst
  ixpk= 3095, nxpk= 20, iat=1305,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 124, 125, 126,
 &end
#
#   41 ALA  HN            8 THR  MG2         7.00    (#   3096:20  Unique         5.61, 7.46 A)
 &rst
  ixpk= 3096, nxpk= 20, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 124, 125, 126,
 &end
#
#   39 VAL  HN            8 THR  MG2         5.50    (#   3097:20  Unique         4.13, 5.20 A)
 &rst
  ixpk= 3097, nxpk= 20, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 124, 125, 126,
 &end
#
#    0 AMB  20-2:3098    81 LEU  HG          5.50    (#   3098:20  Single Ambig)
 &rst
  ixpk= 3098, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1608,1609,1186,
 &end
#
#    0 AMB  20-2:3099    81 LEU  HG          5.50    (#   3099:20  Single Ambig)
 &rst
  ixpk= 3099, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1238,1239,1240,1649,1650,  15,  16,  17,
 &end
#
#  108 TYR  HA           81 LEU  HG          5.70    (#   3100:20  Unique         5.66, 5.73 A)
 &rst
  ixpk= 3100, nxpk= 20, iat=1662,1205, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#    0 AMB  20-2:3102    79 LEU  MD2         5.50    (#   3102:20  Single Ambig)
 &rst
  ixpk= 3102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1165,1534,
 igr2=1176,1177,1178,
 &end
#
#  102 VAL  HA           79 LEU  MD2         7.00    (#   3104:20  Unique         6.47, 7.24 A)
 &rst
  ixpk= 3104, nxpk= 20, iat=1556,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1176,1177,1178,
 &end
#
#  104 THR  HA           81 LEU  HG          5.50    (#   3105:20  Unique         5.54, 5.56 A)
 &rst
  ixpk= 3105, nxpk= 20, iat=1592,1205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   82 ALA  HA            6 VAL  MG2         5.50    (#   3108:20  Unique         3.12, 4.76 A)
 &rst
  ixpk= 3108, nxpk= 20, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 101, 102, 103,
 &end
#
#    0 AMB  20-2:3109    81 LEU  HB-         5.50    (#   3109:20  Single Ambig)
 &rst
  ixpk= 3109, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1170,1613,1614,1615,
 igr2=1202,1203,
 &end
#
#   81 LEU  HG           81 LEU  HB-         5.50    (#   3112:20  Unique         2.52, 2.82 A)
 &rst
  ixpk= 3112, nxpk= 20, iat=1205,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1202,1203,
 &end
#
#   81 LEU  MD1          81 LEU  HB-         5.50    (#   3113:20  Unique         2.33, 3.09 A)
 &rst
  ixpk= 3113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1207,1208,1209,
 igr2=1202,1203,
 &end
#
#  134 LEU  HG          134 LEU  HB-         5.50    (#   3114:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 3114, nxpk= 20, iat=2053,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2050,2051,
 &end
#
#  133 GLU  HG+         134 LEU  HB-         5.50    (#   3116:20  Unique         4.75, 6.12 A)
 &rst
  ixpk= 3116, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2038,2039,
 igr2=2050,2051,
 &end
#
#    5 PHE  QD           81 LEU  HB-         5.50    (#   3117:20  Unique         2.56, 4.70 A)
 &rst
  ixpk= 3117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  79,  87,
 igr2=1202,1203,
 &end
#
#   81 LEU  HA           81 LEU  HB-         5.50    (#   3118:20  Unique         2.78, 2.87 A)
 &rst
  ixpk= 3118, nxpk= 20, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1202,1203,
 &end
#
#    5 PHE  QD           81 LEU  HB+         5.50    (#   3119:20  Unique         2.56, 4.70 A)
 &rst
  ixpk= 3119, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  79,  87,
 igr2=1202,1203,
 &end
#
#   81 LEU  HA           81 LEU  HB+         5.50    (#   3120:20  Unique         2.78, 2.87 A)
 &rst
  ixpk= 3120, nxpk= 20, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1202,1203,
 &end
#
#    0 AMB  20-2:3121     0 AMB  20-1:3121   5.50    (#   3121:20  Double Ambig)
 &rst
  ixpk= 3121, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1170,1613,1614,1615,
 igr2=1202,1203,1202,1203,
 &end
#
#   81 LEU  MD1          81 LEU  HB+         5.50    (#   3122:20  Unique         2.33, 3.09 A)
 &rst
  ixpk= 3122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1207,1208,1209,
 igr2=1202,1203,
 &end
#
#   81 LEU  HG           81 LEU  HB+         5.50    (#   3123:20  Unique         2.52, 2.82 A)
 &rst
  ixpk= 3123, nxpk= 20, iat=1205,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1202,1203,
 &end
#
#  138 LEU  HN          138 LEU  HB-         5.50    (#   3124:20  Unique         2.24, 2.90 A)
 &rst
  ixpk= 3124, nxpk= 20, iat=2114,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2118,2119,
 &end
#
#  138 LEU  HN          138 LEU  HB+         5.50    (#   3125:20  Unique         2.24, 2.90 A)
 &rst
  ixpk= 3125, nxpk= 20, iat=2114,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2118,2119,
 &end
#
#   21 PHE  HD2         138 LEU  HB-         7.00    (#   3126:20  Unique         6.16, 7.14 A)
 &rst
  ixpk= 3126, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2118,2119,
 &end
#
#    0 AMB  20-2:3127     0 AMB  20-1:3127   5.50    (#   3127:20  Double Ambig)
 &rst
  ixpk= 3127, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=2157, 314,
 igr2=2118,2119,2118,2119,
 &end
#
#  138 LEU  MD2         138 LEU  HB-         5.50    (#   3128:20  Unique         2.35, 3.11 A)
 &rst
  ixpk= 3128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2127,2128,2129,
 igr2=2118,2119,
 &end
#
#  138 LEU  MD2         138 LEU  HB+         5.50    (#   3129:20  Unique         2.35, 3.11 A)
 &rst
  ixpk= 3129, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2127,2128,2129,
 igr2=2118,2119,
 &end
#
#    0 AMB  20-2:3130    69 LEU  HB-         5.50    (#   3130:20  Single Ambig)
 &rst
  ixpk= 3130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1025,1026,1027,  58,  59,  60,
 igr2=1020,1021,
 &end
#
#    0 AMB  20-2:3131    69 LEU  HB-         5.50    (#   3131:20  Single Ambig)
 &rst
  ixpk= 3131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 582, 583, 584,  97,  98,  99,
 igr2=1020,1021,
 &end
#
#    0 AMB  20-2:3132     0 AMB  20-1:3132   5.50    (#   3132:20  Double Ambig)
 &rst
  ixpk= 3132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1= 582, 583, 584,  97,  98,  99,2108,2109,2110,
 igr2=1020,1021,1020,1021,1608,1609,
 &end
#
#   90 ILE  HA           90 ILE  HB          5.50    (#   3133:20  Unique         3.04, 3.04 A)
 &rst
  ixpk= 3133, nxpk= 20, iat=1350,1352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:3134    91 ILE  HB          5.50    (#   3134:20  Single Ambig)
 &rst
  ixpk= 3134, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1311,1369,
 &end
#
#   87 HIS  HA           90 ILE  HB          5.50    (#   3135:20  Unique         2.60, 2.72 A)
 &rst
  ixpk= 3135, nxpk= 20, iat=1294,1352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ILE  HB           55 LEU  HB+         5.50    (#   3136:20  Unique         2.45, 3.38 A)
 &rst
  ixpk= 3136, nxpk= 20, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 796, 797,
 &end
#
#   46 LYS  HB+          65 VAL  HA          5.50    (#   3137:20  Unique         2.53, 3.02 A)
 &rst
  ixpk= 3137, nxpk= 20, iat=  -1, 966, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 668, 669,
 &end
#
#   69 LEU  HN           69 LEU  HB+         5.50    (#   3138:20  Unique         2.36, 2.60 A)
 &rst
  ixpk= 3138, nxpk= 20, iat=1016,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1020,1021,
 &end
#
#  105 LEU  HN          105 LEU  HB-         5.50    (#   3139:20  Unique         2.24, 2.49 A)
 &rst
  ixpk= 3139, nxpk= 20, iat=1604,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1608,1609,
 &end
#
#  105 LEU  HN          105 LEU  HB+         5.50    (#   3140:20  Unique         2.24, 2.49 A)
 &rst
  ixpk= 3140, nxpk= 20, iat=1604,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1608,1609,
 &end
#
#  146 LYS  HN          145 LEU  HB+         5.50    (#   3141:20  Unique         2.45, 3.27 A)
 &rst
  ixpk= 3141, nxpk= 20, iat=2261,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2246,2247,
 &end
#
#  146 LYS  HN          145 LEU  HB-         5.50    (#   3142:20  Unique         2.45, 3.27 A)
 &rst
  ixpk= 3142, nxpk= 20, iat=2261,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2246,2247,
 &end
#
#   70 THR  HN           73 LEU  HB+         5.50    (#   3143:20  Unique         2.57, 3.14 A)
 &rst
  ixpk= 3143, nxpk= 20, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1083,1084,
 &end
#
#   70 THR  HN           73 LEU  HB-         5.50    (#   3144:20  Unique         2.57, 3.14 A)
 &rst
  ixpk= 3144, nxpk= 20, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1083,1084,
 &end
#
#   73 LEU  HA           73 LEU  HB+         5.50    (#   3145:20  Unique         2.44, 2.76 A)
 &rst
  ixpk= 3145, nxpk= 20, iat=1081,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1083,1084,
 &end
#
#   69 LEU  HN           69 LEU  HB-         5.50    (#   3147:20  Unique         2.36, 2.60 A)
 &rst
  ixpk= 3147, nxpk= 20, iat=1016,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1020,1021,
 &end
#
#   69 LEU  HA           69 LEU  HB-         5.50    (#   3148:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 3148, nxpk= 20, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1020,1021,
 &end
#
#   69 LEU  HA           69 LEU  HB+         5.50    (#   3149:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 3149, nxpk= 20, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1020,1021,
 &end
#
#   71 GLU  HN           71 GLU  HG+         5.50    (#   3150:20  Unique         4.27, 4.40 A)
 &rst
  ixpk= 3150, nxpk= 20, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1056,1057,
 &end
#
#   71 GLU  HN           71 GLU  HG-         5.50    (#   3151:20  Unique         4.27, 4.40 A)
 &rst
  ixpk= 3151, nxpk= 20, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1056,1057,
 &end
#
#   95 PHE  HD2          71 GLU  HB-         5.50    (#   3152:20  Unique         2.89, 3.91 A)
 &rst
  ixpk= 3152, nxpk= 20, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1053,1054,
 &end
#
#   95 PHE  QD           71 GLU  HB+         5.50    (#   3153:20  Unique         2.89, 5.43 A)
 &rst
  ixpk= 3153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1432,1440,
 igr2=1053,1054,
 &end
#
#   95 PHE  QD           71 GLU  HB-         5.50    (#   3154:20  Unique         2.89, 5.43 A)
 &rst
  ixpk= 3154, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1432,1440,
 igr2=1053,1054,
 &end
#
#   94 GLN  HE2+         71 GLU  HB+         7.00    (#   3155:20  Unique         5.34, 6.48 A)
 &rst
  ixpk= 3155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1419,1420,
 igr2=1053,1054,
 &end
#
#   94 GLN  HE2+         71 GLU  HB-         5.50    (#   3156:20  Unique         5.34, 6.48 A)
 &rst
  ixpk= 3156, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1419,1420,
 igr2=1053,1054,
 &end
#
#   70 THR  HB           71 GLU  HB-         5.50    (#   3157:20  Unique         4.54, 4.62 A)
 &rst
  ixpk= 3157, nxpk= 20, iat=1039,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1053,1054,
 &end
#
#   70 THR  MG2          71 GLU  HB+         5.50    (#   3159:20  Unique         5.27, 6.47 A)
 &rst
  ixpk= 3159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1041,1042,1043,
 igr2=1053,1054,
 &end
#
#  138 LEU  MD2          21 PHE  HB-         5.50    (#   3160:20  Unique         2.36, 4.05 A)
 &rst
  ixpk= 3160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2127,2128,2129,
 igr2= 302, 303,
 &end
#
#  138 LEU  MD2          21 PHE  HB+         5.50    (#   3161:20  Unique         2.36, 4.05 A)
 &rst
  ixpk= 3161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2127,2128,2129,
 igr2= 302, 303,
 &end
#
#    0 AMB  20-2:3162     0 AMB  20-1:3162   5.50    (#   3162:20  Double Ambig)
 &rst
  ixpk= 3162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 288, 289, 290, 357, 358, 359, 286,  43,  44,
 igr2= 302, 303, 302, 303, 302, 303, 302, 303,
 &end
#
#    0 AMB  20-2:3163    21 PHE  HB-         5.50    (#   3163:20  Single Ambig)
 &rst
  ixpk= 3163, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 288, 289, 290, 357, 358, 359, 286,  43,  44,
 igr2= 302, 303,
 &end
#
#   34 VAL  MG1          21 PHE  HB+         5.50    (#   3164:20  Unique         2.77, 4.68 A)
 &rst
  ixpk= 3164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 510, 511, 512,
 igr2= 302, 303,
 &end
#
#   34 VAL  MG1          21 PHE  HB-         5.50    (#   3165:20  Unique         2.77, 4.68 A)
 &rst
  ixpk= 3165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 510, 511, 512,
 igr2= 302, 303,
 &end
#
#   34 VAL  MG2          21 PHE  HB-         5.50    (#   3166:20  Unique         2.49, 4.66 A)
 &rst
  ixpk= 3166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 514, 515, 516,
 igr2= 302, 303,
 &end
#
#    0 AMB  20-2:3167     0 AMB  20-1:3167   5.50    (#   3167:20  Double Ambig)
 &rst
  ixpk= 3167, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=2118,2119, 322, 323,
 igr2= 302, 303, 302, 303,
 &end
#
#    0 AMB  20-2:3170     0 AMB  20-1:3170   5.50    (#   3170:20  Double Ambig)
 &rst
  ixpk= 3170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1828, 300,
 igr2=1830,1831, 302, 303,
 &end
#
#    0 AMB  20-2:3171     0 AMB  20-1:3171   5.50    (#   3171:20  Double Ambig)
 &rst
  ixpk= 3171, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1828, 300,
 igr2=1830,1831, 302, 303,
 &end
#
#    0 AMB  20-2:3175     0 AMB  20-1:3175   5.50    (#   3175:20  Double Ambig)
 &rst
  ixpk= 3175, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 318, 178,
 igr2= 325, 326, 182, 183,
 &end
#
#  131 ARG  HA          134 LEU  HB-         7.00    (#   3177:20  Unique         2.08, 2.64 A)
 &rst
  ixpk= 3177, nxpk= 20, iat=1997,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2050,2051,
 &end
#
#  134 LEU  HA          134 LEU  HB-         5.50    (#   3178:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 3178, nxpk= 20, iat=2048,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2050,2051,
 &end
#
#  134 LEU  HN          134 LEU  HB+         5.50    (#   3179:20  Unique         2.29, 2.45 A)
 &rst
  ixpk= 3179, nxpk= 20, iat=2046,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2050,2051,
 &end
#
#  134 LEU  HN          134 LEU  HB-         5.50    (#   3180:20  Unique         2.29, 2.45 A)
 &rst
  ixpk= 3180, nxpk= 20, iat=2046,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2050,2051,
 &end
#
#  135 GLU  HN          134 LEU  HB-         7.00    (#   3181:20  Unique         2.57, 3.25 A)
 &rst
  ixpk= 3181, nxpk= 20, iat=2065,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2050,2051,
 &end
#
#  135 GLU  HN          134 LEU  HB+         7.00    (#   3182:20  Unique         2.57, 3.25 A)
 &rst
  ixpk= 3182, nxpk= 20, iat=2065,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2050,2051,
 &end
#
#  103 PHE  HD2         103 PHE  HB+         5.50    (#   3200:20  Unique         2.40, 3.07 A)
 &rst
  ixpk= 3200, nxpk= 20, iat=1586,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1574,1575,
 &end
#
#  103 PHE  QD          103 PHE  HB+         5.50    (#   3201:20  Unique         2.40, 3.08 A)
 &rst
  ixpk= 3201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1578,1586,
 igr2=1574,1575,
 &end
#
#    0 AMB  20-2:3202     0 AMB  20-1:3202   5.50    (#   3202:20  Double Ambig)
 &rst
  ixpk= 3202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1580,1584,1668,
 igr2=1574,1575,1574,1575,
 &end
#
#  103 PHE  HN          103 PHE  HB+         5.50    (#   3203:20  Unique         2.64, 3.27 A)
 &rst
  ixpk= 3203, nxpk= 20, iat=1570,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1574,1575,
 &end
#
#  104 THR  HN          103 PHE  HB+         5.50    (#   3204:20  Unique         2.51, 3.35 A)
 &rst
  ixpk= 3204, nxpk= 20, iat=1590,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1574,1575,
 &end
#
#    0 AMB  20-2:3205     0 AMB  20-1:3205   3.00    (#   3205:20  Double Ambig)
 &rst
  ixpk= 3205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2321,2322,2137,2138, 361, 362,2246,2247,
 igr2=2327,2328,2143,2144, 405, 406,2351,2352,
 &end
#
#    0 AMB  20-2:3206     0 AMB  20-1:3206   3.00    (#   3206:20  Double Ambig)
 &rst
  ixpk= 3206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=2002,2003,2348,2349,2140,2141, 850, 851,
 igr2=2005,2006,2351,2352,2143,2144,
 &end
#
#    0 AMB  20-2:3207     0 AMB  20-1:3207   5.50    (#   3207:20  Double Ambig)
 &rst
  ixpk= 3207, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1458,1459, 361, 362, 361, 362,
 igr2=1506,1507, 405, 406,2143,2144,
 &end
#
#    0 AMB  20-2:3208     0 AMB  20-1:3208   5.50    (#   3208:20  Double Ambig)
 &rst
  ixpk= 3208, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=2309,2310,1155,1156,
 igr2=2351,2352,2327,2328,
 &end
#
#   58 LYS  HE-         131 ARG  QD          5.50    (#   3209:20  Unique         2.01, 3.78 A)
 &rst
  ixpk= 3209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 859, 860,
 igr2=2005,2006,
 &end
#
#    0 AMB  20-2:3211     0 AMB  20-1:3211   5.50    (#   3211:20  Double Ambig)
 &rst
  ixpk= 3211, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1311, 372,
 igr2=1506,1507, 405, 406,
 &end
#
#   24 ILE  HA           27 ARG  HD+         5.50    (#   3212:20  Unique         3.08, 4.55 A)
 &rst
  ixpk= 3212, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 405, 406,
 &end
#
#  131 ARG  HA          131 ARG  QD          5.50    (#   3213:20  Unique         2.82, 4.73 A)
 &rst
  ixpk= 3213, nxpk= 20, iat=1997,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2005,2006,
 &end
#
#  150 ARG  HN          150 ARG  HD+         5.50    (#   3214:20  Unique         2.34, 4.15 A)
 &rst
  ixpk= 3214, nxpk= 20, iat=2341,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2351,2352,
 &end
#
#   28 GLU  HN           27 ARG  HD+         5.50    (#   3215:20  Unique         4.83, 5.43 A)
 &rst
  ixpk= 3215, nxpk= 20, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 405, 406,
 &end
#
#    0 AMB  20-2:3216     0 AMB  20-1:3216   5.50    (#   3216:20  Double Ambig)
 &rst
  ixpk= 3216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.17, r4=10.67,
 igr1= 792,1396,2095, 434, 868,
 igr2=2005,2006,1506,1507,2143,2144, 405, 406,
 &end
#
#  139 ARG  HN          139 ARG  HD+         5.50    (#   3217:20  Unique         4.00, 4.93 A)
 &rst
  ixpk= 3217, nxpk= 20, iat=2133,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2143,2144,
 &end
#
#   37 ALA  MB           35 ARG  HD+         7.00    (#   3218:20  Unique         5.79, 7.72 A)
 &rst
  ixpk= 3218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 559, 560, 561,
 igr2= 530, 531,
 &end
#
#   35 ARG  HE           35 ARG  HD+         5.50    (#   3220:20  Unique         2.18, 2.77 A)
 &rst
  ixpk= 3220, nxpk= 20, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 530, 531,
 &end
#
#   35 ARG  HA           35 ARG  HD+         5.50    (#   3221:20  Unique         2.89, 4.16 A)
 &rst
  ixpk= 3221, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 530, 531,
 &end
#
#   36 SER  HN           35 ARG  HD+         5.50    (#   3222:20  Unique         4.00, 5.29 A)
 &rst
  ixpk= 3222, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 530, 531,
 &end
#
#   73 LEU  MD2          35 ARG  HD-         5.50    (#   3223:20  Unique         3.33, 5.64 A)
 &rst
  ixpk= 3223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1092,1093,1094,
 igr2= 530, 531,
 &end
#
#   73 LEU  HB-          35 ARG  HD-         5.50    (#   3224:20  Unique         5.50, 6.95 A)
 &rst
  ixpk= 3224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1083,1084,
 igr2= 530, 531,
 &end
#
#   35 ARG  HA           35 ARG  HD-         5.50    (#   3226:20  Unique         2.89, 4.16 A)
 &rst
  ixpk= 3226, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 530, 531,
 &end
#
#   36 SER  HN           35 ARG  HD-         5.50    (#   3227:20  Unique         4.00, 5.29 A)
 &rst
  ixpk= 3227, nxpk= 20, iat= 544,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 530, 531,
 &end
#
#   35 ARG  HN           35 ARG  HD-         7.00    (#   3228:20  Unique         2.70, 4.32 A)
 &rst
  ixpk= 3228, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 530, 531,
 &end
#
#   35 ARG  HE           35 ARG  HD-         7.00    (#   3229:20  Unique         2.18, 2.77 A)
 &rst
  ixpk= 3229, nxpk= 20, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 530, 531,
 &end
#
#   97 ARG  HB-          97 ARG  HD+         4.50    (#   3231:20  Unique         2.49, 3.40 A)
 &rst
  ixpk= 3231, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1455,1456,
 igr2=1461,1462,
 &end
#
#   99 ARG  HG+          97 ARG  HD+         5.50    (#   3232:20  Unique         2.30, 5.88 A)
 &rst
  ixpk= 3232, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1503,1504,
 igr2=1461,1462,
 &end
#
#   99 ARG  HB+          97 ARG  HD+         5.50    (#   3233:20  Unique         3.53, 4.78 A)
 &rst
  ixpk= 3233, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1500,1501,
 igr2=1461,1462,
 &end
#
#   99 ARG  HD+          97 ARG  HD+         3.50    (#   3235:20  Unique         3.09, 4.80 A)
 &rst
  ixpk= 3235, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1506,1507,
 igr2=1461,1462,
 &end
#
#   97 ARG  HA           97 ARG  HD+         5.50    (#   3236:20  Unique         2.19, 4.20 A)
 &rst
  ixpk= 3236, nxpk= 20, iat=1453,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1461,1462,
 &end
#
#  101 LYS  HN          101 LYS  HE+         7.00    (#   3241:20  Unique         4.27, 4.75 A)
 &rst
  ixpk= 3241, nxpk= 20, iat=1532,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1545,1546,
 &end
#
#   99 ARG  HN          101 LYS  HE+         7.00    (#   3242:20  Unique         7.12, 7.94 A)
 &rst
  ixpk= 3242, nxpk= 20, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1545,1546,
 &end
#
#   98 TYR  QD          101 LYS  HE+         5.50    (#   3243:20  Unique         4.68, 6.67 A)
 &rst
  ixpk= 3243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1483,1492,
 igr2=1545,1546,
 &end
#
#   98 TYR  HA          101 LYS  HE+         5.50    (#   3244:20  Unique         5.53, 6.33 A)
 &rst
  ixpk= 3244, nxpk= 20, iat=1477,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1545,1546,
 &end
#
#  101 LYS  HB+         101 LYS  HE+         5.50    (#   3246:20  Unique         2.25, 3.93 A)
 &rst
  ixpk= 3246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1536,1537,
 igr2=1545,1546,
 &end
#
#    0 AMB  20-2:3248     0 AMB  20-1:3248   4.50    (#   3248:20  Double Ambig)
 &rst
  ixpk= 3248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1542,1543,1109,1110,1111,
 igr2=1545,1546,1545,1546,
 &end
#
#  101 LYS  HG-         101 LYS  HE+         5.50    (#   3249:20  Unique         2.39, 2.97 A)
 &rst
  ixpk= 3249, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1539,1540,
 igr2=1545,1546,
 &end
#
#   80 VAL  MG2         101 LYS  HE+         5.50    (#   3250:20  Unique         2.89, 5.60 A)
 &rst
  ixpk= 3250, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1192,1193,1194,
 igr2=1545,1546,
 &end
#
#   80 VAL  MG2         101 LYS  HE-         5.50    (#   3251:20  Unique         2.89, 5.60 A)
 &rst
  ixpk= 3251, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1192,1193,1194,
 igr2=1545,1546,
 &end
#
#  101 LYS  HB+         101 LYS  HE-         5.50    (#   3252:20  Unique         2.25, 3.93 A)
 &rst
  ixpk= 3252, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1536,1537,
 igr2=1545,1546,
 &end
#
#  101 LYS  HB-         101 LYS  HE-         5.50    (#   3253:20  Unique         2.25, 3.93 A)
 &rst
  ixpk= 3253, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1536,1537,
 igr2=1545,1546,
 &end
#
#  101 LYS  HG-         101 LYS  HE-         5.50    (#   3254:20  Unique         2.39, 2.97 A)
 &rst
  ixpk= 3254, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1539,1540,
 igr2=1545,1546,
 &end
#
#    0 AMB  20-2:3255   101 LYS  HE-         5.50    (#   3255:20  Single Ambig)
 &rst
  ixpk= 3255, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1145,1146,1147,1102,1103,
 igr2=1545,1546,
 &end
#
#   98 TYR  HB-         101 LYS  HE-         4.50    (#   3256:20  Unique         3.54, 5.35 A)
 &rst
  ixpk= 3256, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1479,1480,
 igr2=1545,1546,
 &end
#
#   98 TYR  HA          101 LYS  HE-         7.00    (#   3258:20  Unique         5.53, 6.33 A)
 &rst
  ixpk= 3258, nxpk= 20, iat=1477,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1545,1546,
 &end
#
#   98 TYR  HB+         101 LYS  HE-         5.50    (#   3259:20  Unique         3.54, 5.35 A)
 &rst
  ixpk= 3259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1479,1480,
 igr2=1545,1546,
 &end
#
#  106 LYS  HB+         106 LYS  HE+         5.50    (#   3260:20  Unique         4.29, 4.90 A)
 &rst
  ixpk= 3260, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1627,1628,
 igr2=1636,1637,
 &end
#
#    0 AMB  20-2:3261     0 AMB  20-1:3261   5.50    (#   3261:20  Double Ambig)
 &rst
  ixpk= 3261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=2038,2039,2099,2100,
 igr2=1636,1637,1636,1637,
 &end
#
#  133 GLU  HB-         106 LYS  HE+         5.50    (#   3262:20  Unique         5.73, 6.66 A)
 &rst
  ixpk= 3262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2035,2036,
 igr2=1636,1637,
 &end
#
#  133 GLU  HG-         106 LYS  HE+         5.50    (#   3263:20  Unique         3.44, 4.62 A)
 &rst
  ixpk= 3263, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2038,2039,
 igr2=1636,1637,
 &end
#
#  116 VAL  HA          106 LYS  HE+         5.50    (#   3264:20  Unique         2.42, 3.65 A)
 &rst
  ixpk= 3264, nxpk= 20, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1636,1637,
 &end
#
#  106 LYS  HA          106 LYS  HE+         5.50    (#   3265:20  Unique         4.08, 4.48 A)
 &rst
  ixpk= 3265, nxpk= 20, iat=1625,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1636,1637,
 &end
#
#    0 AMB  20-2:3267     0 AMB  20-1:3267   5.50    (#   3267:20  Double Ambig)
 &rst
  ixpk= 3267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1534,1165,
 igr2=1545,1546,1545,1546,
 &end
#
#   79 LEU  HN            2 ASP  HB-         5.50    (#   3268:20  Unique         4.03, 4.96 A)
 &rst
  ixpk= 3268, nxpk= 20, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  25,  26,
 &end
#
#   79 LEU  HN            2 ASP  HB+         5.50    (#   3269:20  Unique         4.03, 4.96 A)
 &rst
  ixpk= 3269, nxpk= 20, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  25,  26,
 &end
#
#  116 VAL  HN            0 AMB  20-1:3270   5.50    (#   3270:20  Single Ambig)
 &rst
  ixpk= 3270, nxpk= 20, iat=1765,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1757,1758,1636,1637,
 &end
#
#  116 VAL  HN          115 ASP  HB+         5.50    (#   3271:20  Unique         3.37, 3.69 A)
 &rst
  ixpk= 3271, nxpk= 20, iat=1765,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1757,1758,
 &end
#
#  116 VAL  HN          115 ASP  HB-         5.50    (#   3272:20  Unique         3.37, 3.69 A)
 &rst
  ixpk= 3272, nxpk= 20, iat=1765,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1757,1758,
 &end
#
#    0 AMB  20-2:3273     0 AMB  20-1:3273   5.50    (#   3273:20  Double Ambig)
 &rst
  ixpk= 3273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1755,1246,
 igr2=1757,1758,1757,1758,
 &end
#
#    0 AMB  20-2:3274   115 ASP  HB-         5.50    (#   3274:20  Single Ambig)
 &rst
  ixpk= 3274, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1755,1246,
 igr2=1757,1758,
 &end
#
#    0 AMB  20-2:3275     0 AMB  20-1:3275   4.50    (#   3275:20  Double Ambig)
 &rst
  ixpk= 3275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=   6,1132,
 igr2=  25,  26,  25,  26,
 &end
#
#    0 AMB  20-2:3276   115 ASP  HB-         4.50    (#   3276:20  Single Ambig)
 &rst
  ixpk= 3276, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1231,1232,1636,1637,
 igr2=1757,1758,
 &end
#
#  149 ARG  HD+          78 ASP  HB-         5.50    (#   3277:20  Unique         4.94, 7.08 A)
 &rst
  ixpk= 3277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2327,2328,
 igr2=1155,1156,
 &end
#
#  106 LYS  HB+         106 LYS  HE-         5.50    (#   3278:20  Unique         4.29, 4.90 A)
 &rst
  ixpk= 3278, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1627,1628,
 igr2=1636,1637,
 &end
#
#    0 AMB  20-2:3279   106 LYS  HE-         5.50    (#   3279:20  Single Ambig)
 &rst
  ixpk= 3279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=2038,2039,2099,2100,2102,
 igr2=1636,1637,
 &end
#
#  133 GLU  HG-         106 LYS  HE-         5.50    (#   3280:20  Unique         3.44, 4.62 A)
 &rst
  ixpk= 3280, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2038,2039,
 igr2=1636,1637,
 &end
#
#    4 ILE  QD1           2 ASP  HB+         5.50    (#   3281:20  Unique         5.66, 7.63 A)
 &rst
  ixpk= 3281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  65,  66,  67,
 igr2=  25,  26,
 &end
#
#  134 LEU  HG          134 LEU  HB+         5.50    (#   3284:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 3284, nxpk= 20, iat=2053,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2050,2051,
 &end
#
#  133 GLU  HG+         134 LEU  HB+         5.50    (#   3285:20  Unique         4.75, 6.12 A)
 &rst
  ixpk= 3285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2038,2039,
 igr2=2050,2051,
 &end
#
#  130 THR  MG2         134 LEU  HB+         5.50    (#   3286:20  Unique         2.98, 4.36 A)
 &rst
  ixpk= 3286, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1987,1988,1989,
 igr2=2050,2051,
 &end
#
#  134 LEU  HA          134 LEU  HB+         5.50    (#   3287:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 3287, nxpk= 20, iat=2048,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2050,2051,
 &end
#
#   17 ALA  MB          134 LEU  HB+         7.00    (#   3288:20  Unique         5.62, 6.73 A)
 &rst
  ixpk= 3288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 248, 249, 250,
 igr2=2050,2051,
 &end
#
#  137 LEU  HA          137 LEU  HB+         5.50    (#   3289:20  Unique         2.54, 2.81 A)
 &rst
  ixpk= 3289, nxpk= 20, iat=2097,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2099,2100,
 &end
#
#   52 VAL  MG2          62 LEU  HB+         4.50    (#   3291:20  Unique         2.15, 3.87 A)
 &rst
  ixpk= 3291, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 761, 762, 763,
 igr2= 918, 919,
 &end
#
#  138 LEU  HA          138 LEU  HB+         5.50    (#   3292:20  Unique         2.61, 2.83 A)
 &rst
  ixpk= 3292, nxpk= 20, iat=2116,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2118,2119,
 &end
#
#    0 AMB  20-2:3293     0 AMB  20-1:3293   3.00    (#   3293:20  Double Ambig)
 &rst
  ixpk= 3293, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1=2123,2124,2125, 288, 289, 290, 357, 358, 359,
 igr2=2118,2119,2118,2119,2118,2119,
 &end
#
#    0 AMB  20-2:3294     0 AMB  20-1:3294   3.50    (#   3294:20  Double Ambig)
 &rst
  ixpk= 3294, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=2249,  15,  16,  17,
 igr2=2246,2247,2246,2247,
 &end
#
#  142 ALA  HA          145 LEU  HB+         5.50    (#   3295:20  Unique         2.48, 3.62 A)
 &rst
  ixpk= 3295, nxpk= 20, iat=2195,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2246,2247,
 &end
#
#  105 LEU  HA          105 LEU  HB+         5.50    (#   3296:20  Unique         2.43, 2.74 A)
 &rst
  ixpk= 3296, nxpk= 20, iat=1606,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1608,1609,
 &end
#
#   81 LEU  HB+         105 LEU  HB+         5.50    (#   3297:20  Unique         4.43, 6.55 A)
 &rst
  ixpk= 3297, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1202,1203,
 igr2=1608,1609,
 &end
#
#   39 VAL  HA           69 LEU  HB+         5.50    (#   3298:20  Unique         2.71, 3.53 A)
 &rst
  ixpk= 3298, nxpk= 20, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1020,1021,
 &end
#
#  141 LEU  HG          141 LEU  HB+         5.50    (#   3300:20  Unique         2.41, 2.78 A)
 &rst
  ixpk= 3300, nxpk= 20, iat=2181,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2178,2179,
 &end
#
#    0 AMB  20-2:3301     0 AMB  20-1:3301   5.50    (#   3301:20  Double Ambig)
 &rst
  ixpk= 3301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=2108,2109,2110,2127,2128,2129,
 igr2=2178,2179,2178,2179,
 &end
#
#    0 AMB  20-2:3302     0 AMB  20-1:3302   5.50    (#   3302:20  Double Ambig)
 &rst
  ixpk= 3302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1=2183,2184,2185,2123,2124,2125,2251,2252,2253,
 igr2=2178,2179,2178,2179,2178,2179,
 &end
#
#    0 AMB  20-2:3303     0 AMB  20-1:3303   5.50    (#   3303:20  Double Ambig)
 &rst
  ixpk= 3303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1687,1688,1689,1613,1614,1615,
 igr2=2178,2179,2178,2179,
 &end
#
#    0 AMB  20-2:3304     0 AMB  20-1:3304   5.50    (#   3304:20  Double Ambig)
 &rst
  ixpk= 3304, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1691,1692,1693,2121,
 igr2=2178,2179,2178,2179,
 &end
#
#    0 AMB  20-2:3306     0 AMB  20-1:3306   5.50    (#   3306:20  Double Ambig)
 &rst
  ixpk= 3306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=2102,2249,
 igr2=2178,2179,2178,2179,
 &end
#
#  145 LEU  HA          141 LEU  HB+         7.00    (#   3307:20  Unique         6.53, 7.85 A)
 &rst
  ixpk= 3307, nxpk= 20, iat=2244,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2178,2179,
 &end
#
#  142 ALA  HN          141 LEU  HB+         5.50    (#   3308:20  Unique         2.57, 3.07 A)
 &rst
  ixpk= 3308, nxpk= 20, iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2178,2179,
 &end
#
#  141 LEU  HN          141 LEU  HB+         5.50    (#   3309:20  Unique         2.12, 2.74 A)
 &rst
  ixpk= 3309, nxpk= 20, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2178,2179,
 &end
#
#    0 AMB  20-2:3310   105 LEU  HB-         5.50    (#   3310:20  Single Ambig)
 &rst
  ixpk= 3310, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1234,1235,1238,1239,1240,
 igr2=1608,1609,
 &end
#
#  105 LEU  HA          105 LEU  HB-         5.50    (#   3311:20  Unique         2.43, 2.74 A)
 &rst
  ixpk= 3311, nxpk= 20, iat=1606,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1608,1609,
 &end
#
#    0 AMB  20-2:3312   134 LEU  HB-         5.50    (#   3312:20  Single Ambig)
 &rst
  ixpk= 3312, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1987,1988,1989, 283, 284,
 igr2=2050,2051,
 &end
#
#    0 AMB  20-2:3313    81 LEU  HB-         7.00    (#   3313:20  Single Ambig)
 &rst
  ixpk= 3313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
 igr1=1608,1609,  37,  43,  44,1221,1222,1223,
 igr2=1202,1203,
 &end
#
#    0 AMB  20-2:3314     3 ILE  HB          5.50    (#   3314:20  Single Ambig)
 &rst
  ixpk= 3314, nxpk= 20, iat=  -1,  37, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1207,1208,1209,1172,1173,1174,
 &end
#
#    4 ILE  QG2           3 ILE  HB          7.00    (#   3315:20  Unique         6.87, 7.52 A)
 &rst
  ixpk= 3315, nxpk= 20, iat=  -1,  37, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  58,  59,  60,
 &end
#
#    0 AMB  20-2:3316     3 ILE  HB          5.50    (#   3316:20  Single Ambig)
 &rst
  ixpk= 3316, nxpk= 20, iat=  -1,  37, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1167,1168,  62,  63,
 &end
#
#   34 VAL  HB            3 ILE  HB          5.50    (#   3317:20  Unique         2.63, 2.87 A)
 &rst
  ixpk= 3317, nxpk= 20, iat= 508,  37, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 VAL  HA            3 ILE  HB          5.50    (#   3318:20  Unique         2.74, 2.96 A)
 &rst
  ixpk= 3318, nxpk= 20, iat= 506,  37, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    2 ASP  HA            3 ILE  HB          5.50    (#   3319:20  Unique         4.60, 4.71 A)
 &rst
  ixpk= 3319, nxpk= 20, iat=  23,  37, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 ARG  HN            3 ILE  HB          5.50    (#   3320:20  Unique         3.78, 3.88 A)
 &rst
  ixpk= 3320, nxpk= 20, iat= 520,  37, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 VAL  HA           69 LEU  HB-         5.50    (#   3321:20  Unique         2.71, 3.53 A)
 &rst
  ixpk= 3321, nxpk= 20, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1020,1021,
 &end
#
#  117 LEU  MD2         118 ASP  HB-         5.50    (#   3322:20  Unique         4.00, 6.20 A)
 &rst
  ixpk= 3322, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1794,1795,1796,
 igr2=1804,1805,
 &end
#
#    6 VAL  MG1           5 PHE  HB+         5.50    (#   3323:20  Unique         5.12, 6.40 A)
 &rst
  ixpk= 3323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  97,  98,  99,
 igr2=  75,  76,
 &end
#
#   18 GLU  HB+           5 PHE  HB+         5.50    (#   3324:20  Unique         3.39, 4.89 A)
 &rst
  ixpk= 3324, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 258, 259,
 igr2=  75,  76,
 &end
#
#   14 SER  HA            5 PHE  HB+         5.50    (#   3325:20  Unique         2.37, 2.92 A)
 &rst
  ixpk= 3325, nxpk= 20, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  75,  76,
 &end
#
#   14 SER  HB+           5 PHE  HB+         5.50    (#   3326:20  Unique         2.47, 3.63 A)
 &rst
  ixpk= 3326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 206, 207,
 igr2=  75,  76,
 &end
#
#  141 LEU  HG          141 LEU  HB-         5.50    (#   3328:20  Unique         2.41, 2.78 A)
 &rst
  ixpk= 3328, nxpk= 20, iat=2181,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2178,2179,
 &end
#
#    0 AMB  20-2:3329   141 LEU  HB-         5.50    (#   3329:20  Single Ambig)
 &rst
  ixpk= 3329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1687,1688,1689,1613,1614,1615,
 igr2=2178,2179,
 &end
#
#    0 AMB  20-2:3331   141 LEU  HB-         5.50    (#   3331:20  Single Ambig)
 &rst
  ixpk= 3331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1691,1692,1693,2121,
 igr2=2178,2179,
 &end
#
#  145 LEU  HA          141 LEU  HB-         7.00    (#   3332:20  Unique         6.53, 7.85 A)
 &rst
  ixpk= 3332, nxpk= 20, iat=2244,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2178,2179,
 &end
#
#  141 LEU  HN          141 LEU  HB-         5.50    (#   3333:20  Unique         2.12, 2.74 A)
 &rst
  ixpk= 3333, nxpk= 20, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2178,2179,
 &end
#
#  145 LEU  MD2         148 ASP  HB-         5.50    (#   3334:20  Unique         2.73, 6.79 A)
 &rst
  ixpk= 3334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2255,2256,2257,
 igr2=2309,2310,
 &end
#
#    0 AMB  20-2:3335   148 ASP  HB-         5.50    (#   3335:20  Single Ambig)
 &rst
  ixpk= 3335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=2290,2291,2246,2247,
 igr2=2309,2310,
 &end
#
#    0 AMB  20-2:3336   148 ASP  HB-         5.50    (#   3336:20  Single Ambig)
 &rst
  ixpk= 3336, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=2345,2346,2287,2288,
 igr2=2309,2310,
 &end
#
#  150 ARG  HD+         148 ASP  HB-         5.50    (#   3340:20  Unique         3.22, 5.98 A)
 &rst
  ixpk= 3340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2351,2352,
 igr2=2309,2310,
 &end
#
#  145 LEU  HA          148 ASP  HB-         5.50    (#   3341:20  Unique         2.16, 4.96 A)
 &rst
  ixpk= 3341, nxpk= 20, iat=2244,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2309,2310,
 &end
#
#  148 ASP  HA          148 ASP  HB-         4.50    (#   3342:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 3342, nxpk= 20, iat=2307,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2309,2310,
 &end
#
#  147 LYS  HN          148 ASP  HB-         7.00    (#   3343:20  Unique         3.58, 5.17 A)
 &rst
  ixpk= 3343, nxpk= 20, iat=2283,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2309,2310,
 &end
#
#  148 ASP  HA          148 ASP  HB+         3.50    (#   3344:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 3344, nxpk= 20, iat=2307,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2309,2310,
 &end
#
#  145 LEU  HA          148 ASP  HB+         5.50    (#   3345:20  Unique         2.16, 4.96 A)
 &rst
  ixpk= 3345, nxpk= 20, iat=2244,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2309,2310,
 &end
#
#  149 ARG  HA          148 ASP  HB-         7.00    (#   3346:20  Unique         4.63, 5.53 A)
 &rst
  ixpk= 3346, nxpk= 20, iat=2319,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2309,2310,
 &end
#
#  149 ARG  HA          148 ASP  HB+         7.00    (#   3347:20  Unique         4.63, 5.53 A)
 &rst
  ixpk= 3347, nxpk= 20, iat=2319,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2309,2310,
 &end
#
#  150 ARG  HD+         148 ASP  HB+         5.50    (#   3348:20  Unique         3.22, 5.98 A)
 &rst
  ixpk= 3348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2351,2352,
 igr2=2309,2310,
 &end
#
#    0 AMB  20-2:3349     0 AMB  20-1:3349   5.50    (#   3349:20  Double Ambig)
 &rst
  ixpk= 3349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=2345,2346,2287,2288,2246,2247,
 igr2=2309,2310,2309,2310,2309,2310,
 &end
#
#    0 AMB  20-2:3351     0 AMB  20-1:3351   5.50    (#   3351:20  Double Ambig)
 &rst
  ixpk= 3351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=2290,2291,2246,2247,
 igr2=2309,2310,2309,2310,
 &end
#
#  145 LEU  MD2         148 ASP  HB+         5.50    (#   3352:20  Unique         2.73, 6.79 A)
 &rst
  ixpk= 3352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2255,2256,2257,
 igr2=2309,2310,
 &end
#
#   54 ALA  HA           58 LYS  HE+         6.00    (#   3354:20  Unique         5.86, 6.85 A)
 &rst
  ixpk= 3354, nxpk= 20, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 859, 860,
 &end
#
#  128 LYS  HA           58 LYS  HE+         7.00    (#   3355:20  Unique         5.69, 6.26 A)
 &rst
  ixpk= 3355, nxpk= 20, iat=1944,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 859, 860,
 &end
#
#   78 ASP  HN           78 ASP  HB+         5.50    (#   3368:20  Unique         2.59, 2.84 A)
 &rst
  ixpk= 3368, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1155,1156,
 &end
#
#    2 ASP  HN           78 ASP  HB+         5.50    (#   3369:20  Unique         1.93, 2.59 A)
 &rst
  ixpk= 3369, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1155,1156,
 &end
#
#    0 AMB  20-2:3371     0 AMB  20-1:3371   5.50    (#   3371:20  Double Ambig)
 &rst
  ixpk= 3371, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1=  15,  16,  17,   8,   9,
 igr2=1155,1156,1155,1156,
 &end
#
#  108 TYR  HA          108 TYR  HB+         5.50    (#   3372:20  Unique         2.49, 2.77 A)
 &rst
  ixpk= 3372, nxpk= 20, iat=1662,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1664,1665,
 &end
#
#   35 ARG  HD+          33 ASN  HB+         5.50    (#   3373:20  Unique         4.37, 6.21 A)
 &rst
  ixpk= 3373, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 530, 531,
 igr2= 494, 495,
 &end
#
#  103 PHE  HB+         108 TYR  HB+         5.50    (#   3374:20  Unique         2.27, 3.29 A)
 &rst
  ixpk= 3374, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1574,1575,
 igr2=1664,1665,
 &end
#
#  107 GLU  HG-         108 TYR  HB+         5.50    (#   3375:20  Unique         4.54, 5.95 A)
 &rst
  ixpk= 3375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1652,1653,
 igr2=1664,1665,
 &end
#
#    0 AMB  20-2:3376     0 AMB  20-1:3376   5.50    (#   3376:20  Double Ambig)
 &rst
  ixpk= 3376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.76, r4=11.26,
 igr1=1536,1537,1649,1650,1500,1501, 478,
 igr2=1524,1525,1664,1665,1524,1525, 494, 495,
 &end
#
#    0 AMB  20-2:3377     0 AMB  20-1:3377   5.50    (#   3377:20  Double Ambig)
 &rst
  ixpk= 3377, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1503,1504, 527, 528,
 igr2=1524,1525, 494, 495,
 &end
#
#    0 AMB  20-2:3378     0 AMB  20-1:3378   5.50    (#   3378:20  Double Ambig)
 &rst
  ixpk= 3378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1=1503,1504,1109,1110,1111,
 igr2=1524,1525,1524,1525,
 &end
#
#    0 AMB  20-2:3379     0 AMB  20-1:3379   5.50    (#   3379:20  Double Ambig)
 &rst
  ixpk= 3379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=  43,  44, 514, 515, 516,  37,
 igr2= 494, 495, 494, 495, 494, 495,
 &end
#
#  109 VAL  MG2         108 TYR  HB+         5.50    (#   3380:20  Unique         2.45, 4.22 A)
 &rst
  ixpk= 3380, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1691,1692,1693,
 igr2=1664,1665,
 &end
#
#    0 AMB  20-2:3381     0 AMB  20-1:3381   5.50    (#   3381:20  Double Ambig)
 &rst
  ixpk= 3381, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1=1613,1614,1615,1458,1459, 510, 511, 512,
 igr2=1664,1665,1524,1525, 494, 495,
 &end
#
#    0 AMB  20-2:3382     0 AMB  20-1:3382   5.50    (#   3382:20  Double Ambig)
 &rst
  ixpk= 3382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=2183,2184,2185, 484, 485, 486,
 igr2=1664,1665, 494, 495,
 &end
#
#    0 AMB  20-2:3383     0 AMB  20-1:3383   5.50    (#   3383:20  Double Ambig)
 &rst
  ixpk= 3383, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1=1202,1203,1564,1565,1566, 480, 481, 482,
 igr2=1664,1665,1524,1525, 494, 495,
 &end
#
#   81 LEU  HG          108 TYR  HB+         5.50    (#   3384:20  Unique         3.25, 3.70 A)
 &rst
  ixpk= 3384, nxpk= 20, iat=1205,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1664,1665,
 &end
#
#    2 ASP  HN           33 ASN  HB+         5.50    (#   3385:20  Unique         5.05, 5.89 A)
 &rst
  ixpk= 3385, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 494, 495,
 &end
#
#  133 GLU  HN          132 ASP  HB+         5.50    (#   3386:20  Unique         2.64, 3.33 A)
 &rst
  ixpk= 3386, nxpk= 20, iat=2031,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2023,2024,
 &end
#
#  101 LYS  HN          100 ASP  HB+         5.50    (#   3387:20  Unique         2.79, 3.50 A)
 &rst
  ixpk= 3387, nxpk= 20, iat=1532,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1524,1525,
 &end
#
#    0 AMB  20-2:3388     0 AMB  20-1:3388   5.50    (#   3388:20  Double Ambig)
 &rst
  ixpk= 3388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1578,1586,2237,2238,
 igr2=1664,1665,1664,1665,
 &end
#
#  108 TYR  HD1         108 TYR  HB+         5.50    (#   3389:20  Unique         2.35, 2.97 A)
 &rst
  ixpk= 3389, nxpk= 20, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1664,1665,
 &end
#
#   81 LEU  HG          108 TYR  HB-         5.50    (#   3390:20  Unique         3.25, 3.70 A)
 &rst
  ixpk= 3390, nxpk= 20, iat=1205,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1664,1665,
 &end
#
#  108 TYR  HA          108 TYR  HB-         5.50    (#   3391:20  Unique         2.49, 2.77 A)
 &rst
  ixpk= 3391, nxpk= 20, iat=1662,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1664,1665,
 &end
#
#  108 TYR  QE          108 TYR  HB-         5.50    (#   3392:20  Unique         4.67, 5.11 A)
 &rst
  ixpk= 3392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1670,1675,
 igr2=1664,1665,
 &end
#
#  108 TYR  HN          108 TYR  HB-         5.50    (#   3393:20  Unique         2.33, 2.47 A)
 &rst
  ixpk= 3393, nxpk= 20, iat=1660,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1664,1665,
 &end
#
#   95 PHE  HN           95 PHE  HB-         5.50    (#   3394:20  Unique         2.34, 2.97 A)
 &rst
  ixpk= 3394, nxpk= 20, iat=1424,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1428,1429,
 &end
#
#   95 PHE  HD2          95 PHE  HB-         5.50    (#   3395:20  Unique         3.30, 3.55 A)
 &rst
  ixpk= 3395, nxpk= 20, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1428,1429,
 &end
#
#   92 ALA  HA           95 PHE  HB-         5.50    (#   3396:20  Unique         2.88, 4.02 A)
 &rst
  ixpk= 3396, nxpk= 20, iat=1388,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1428,1429,
 &end
#
#    0 AMB  20-2:3397    95 PHE  HB-         5.50    (#   3397:20  Single Ambig)
 &rst
  ixpk= 3397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1479,1480,1056,1057,
 igr2=1428,1429,
 &end
#
#   74 MET  HG+          95 PHE  HB-         5.50    (#   3398:20  Unique         3.32, 4.69 A)
 &rst
  ixpk= 3398, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1105,1106,
 igr2=1428,1429,
 &end
#
#    0 AMB  20-2:3399     0 AMB  20-1:3399   5.50    (#   3399:20  Double Ambig)
 &rst
  ixpk= 3399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 578, 579, 580, 927, 928, 929,
 igr2= 592, 593, 937, 938,
 &end
#
#   65 VAL  MG2          63 ASN  HB-         5.50    (#   3400:20  Unique         4.88, 6.89 A)
 &rst
  ixpk= 3400, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 974, 975, 976,
 igr2= 937, 938,
 &end
#
#   39 VAL  HB           40 PHE  HB-         7.00    (#   3401:20  Unique         4.20, 5.04 A)
 &rst
  ixpk= 3401, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 592, 593,
 &end
#
#   54 ALA  MB          127 TYR  HB-         5.50    (#   3402:20  Unique         2.28, 3.40 A)
 &rst
  ixpk= 3402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 786, 787, 788,
 igr2=1925,1926,
 &end
#
#    0 AMB  20-2:3404   127 TYR  HB-         5.50    (#   3404:20  Single Ambig)
 &rst
  ixpk= 3404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 782,1871,
 igr2=1925,1926,
 &end
#
#  127 TYR  HD2         127 TYR  HB-         5.50    (#   3405:20  Unique         2.39, 3.07 A)
 &rst
  ixpk= 3405, nxpk= 20, iat=1929,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1925,1926,
 &end
#
#    0 AMB  20-2:3406    90 ILE  HB          5.50    (#   3406:20  Single Ambig)
 &rst
  ixpk= 3406, nxpk= 20, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1358,1359,1377,1378,
 &end
#
#    0 AMB  20-2:3407    90 ILE  HB          5.50    (#   3407:20  Single Ambig)
 &rst
  ixpk= 3407, nxpk= 20, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1369,1311,
 &end
#
#   91 ILE  HN           90 ILE  HB          5.50    (#   3409:20  Unique         2.70, 2.73 A)
 &rst
  ixpk= 3409, nxpk= 20, iat=1367,1352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 LEU  MD1          55 LEU  HB+         3.50    (#   3410:20  Unique         2.41, 3.50 A)
 &rst
  ixpk= 3410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 801, 802, 803,
 igr2= 796, 797,
 &end
#
#    0 AMB  20-2:3411     0 AMB  20-1:3411   5.50    (#   3411:20  Double Ambig)
 &rst
  ixpk= 3411, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1088,1089,1090,2127,2128,2129,
 igr2=1071,1072,2072,2073,
 &end
#
#  139 ARG  HD+         135 GLU  HG+         5.50    (#   3412:20  Unique         2.99, 5.07 A)
 &rst
  ixpk= 3412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2143,2144,
 igr2=2072,2073,
 &end
#
#  132 ASP  HA          135 GLU  HG+         5.50    (#   3413:20  Unique         5.32, 5.72 A)
 &rst
  ixpk= 3413, nxpk= 20, iat=2021,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2072,2073,
 &end
#
#    0 AMB  20-2:3414     0 AMB  20-1:3414   5.50    (#   3414:20  Double Ambig)
 &rst
  ixpk= 3414, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=2082,2135,
 igr2=2072,2073,2072,2073,
 &end
#
#   71 GLU  HG+          72 GLU  HG+         5.50    (#   3415:20  Unique         6.25, 7.14 A)
 &rst
  ixpk= 3415, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1056,1057,
 igr2=1071,1072,
 &end
#
#    0 AMB  20-2:3416   133 GLU  HG-         5.50    (#   3416:20  Single Ambig)
 &rst
  ixpk= 3416, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1775,1776,1777,2099,2100,
 igr2=2038,2039,
 &end
#
#  116 VAL  MG2         133 GLU  HG+         5.50    (#   3417:20  Unique         2.40, 4.90 A)
 &rst
  ixpk= 3417, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1775,1776,1777,
 igr2=2038,2039,
 &end
#
#   39 VAL  MG2          90 ILE  HB          5.50    (#   3418:20  Unique         2.67, 4.21 A)
 &rst
  ixpk= 3418, nxpk= 20, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 582, 583, 584,
 &end
#
#    0 AMB  20-2:3419     4 ILE  HB          5.50    (#   3419:20  Single Ambig)
 &rst
  ixpk= 3419, nxpk= 20, iat=  -1,  56, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1198,1182,
 &end
#
#  139 ARG  HN          138 LEU  HB+         5.50    (#   3420:20  Unique         3.15, 3.51 A)
 &rst
  ixpk= 3420, nxpk= 20, iat=2133,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2118,2119,
 &end
#
#   29 GLY  HN           30 LEU  HB-         5.50    (#   3422:20  Unique         3.91, 4.79 A)
 &rst
  ixpk= 3422, nxpk= 20, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 445, 446,
 &end
#
#  109 VAL  HN          108 TYR  HB+         5.50    (#   3423:20  Unique         2.42, 3.41 A)
 &rst
  ixpk= 3423, nxpk= 20, iat=1681,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1664,1665,
 &end
#
#   41 ALA  MB           10 ASN  HB-         5.50    (#   3424:20  Unique         2.35, 3.09 A)
 &rst
  ixpk= 3424, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 612, 613, 614,
 igr2= 143, 144,
 &end
#
#   66 SER  HB-          10 ASN  HB-         5.50    (#   3426:20  Unique         2.21, 3.56 A)
 &rst
  ixpk= 3426, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 984, 985,
 igr2= 143, 144,
 &end
#
#    0 AMB  20-2:3427    10 ASN  HB-         5.50    (#   3427:20  Single Ambig)
 &rst
  ixpk= 3427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 984, 985, 141,
 igr2= 143, 144,
 &end
#
#    0 AMB  20-2:3428    10 ASN  HB-         5.50    (#   3428:20  Single Ambig)
 &rst
  ixpk= 3428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 565, 555,
 igr2= 143, 144,
 &end
#
#    0 AMB  20-2:3429   125 ASP  HB-         5.50    (#   3429:20  Single Ambig)
 &rst
  ixpk= 3429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1906,1968,1969,
 igr2=1894,1895,
 &end
#
#    0 AMB  20-2:3430   125 ASP  HB-         5.50    (#   3430:20  Single Ambig)
 &rst
  ixpk= 3430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1864,1865,1904,
 igr2=1894,1895,
 &end
#
#   41 ALA  MB           10 ASN  HB+         5.50    (#   3431:20  Unique         2.35, 3.09 A)
 &rst
  ixpk= 3431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 612, 613, 614,
 igr2= 143, 144,
 &end
#
#   10 ASN  HA           10 ASN  HB+         5.50    (#   3433:20  Unique         2.37, 2.73 A)
 &rst
  ixpk= 3433, nxpk= 20, iat= 141,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 143, 144,
 &end
#
#   67 SER  HN           10 ASN  HB+         5.50    (#   3435:20  Unique         3.64, 3.93 A)
 &rst
  ixpk= 3435, nxpk= 20, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 143, 144,
 &end
#
#    0 AMB  20-2:3437     0 AMB  20-1:3437   5.50    (#   3437:20  Double Ambig)
 &rst
  ixpk= 3437, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 565, 555,
 igr2= 143, 144, 143, 144,
 &end
#
#   66 SER  HB-          10 ASN  HB+         7.00    (#   3438:20  Unique         2.21, 3.56 A)
 &rst
  ixpk= 3438, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 984, 985,
 igr2= 143, 144,
 &end
#
#   34 VAL  MG2          21 PHE  HB+         5.50    (#   3439:20  Unique         2.49, 4.66 A)
 &rst
  ixpk= 3439, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 514, 515, 516,
 igr2= 302, 303,
 &end
#
#    0 AMB  20-2:3440    24 ILE  HB          7.00    (#   3440:20  Single Ambig)
 &rst
  ixpk= 3440, nxpk= 20, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 426, 427, 384, 385,
 &end
#
#    0 AMB  20-2:3441    24 ILE  HB          5.50    (#   3441:20  Single Ambig)
 &rst
  ixpk= 3441, nxpk= 20, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2118,2119,2140,2141, 399, 400,
 &end
#
#    0 AMB  20-2:3442     0 AMB  20-1:3442   5.50    (#   3442:20  Double Ambig)
 &rst
  ixpk= 3442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1= 850, 851, 856, 857, 745, 746, 747,
 igr2= 796, 797, 796, 797, 796, 797,
 &end
#
#    0 AMB  20-2:3443    21 PHE  HB-         5.50    (#   3443:20  Single Ambig)
 &rst
  ixpk= 3443, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2118,2119, 355,
 igr2= 302, 303,
 &end
#
#    0 AMB  20-2:3444    21 PHE  HB-         5.50    (#   3444:20  Single Ambig)
 &rst
  ixpk= 3444, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=2118,2119, 322, 323,
 igr2= 302, 303,
 &end
#
#   95 PHE  HN           95 PHE  HB+         5.50    (#   3445:20  Unique         2.34, 2.97 A)
 &rst
  ixpk= 3445, nxpk= 20, iat=1424,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1428,1429,
 &end
#
#   98 TYR  HN            0 AMB  20-1:3446   5.50    (#   3446:20  Single Ambig)
 &rst
  ixpk= 3446, nxpk= 20, iat=1475,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1479,1480,1428,1429,
 &end
#
#   41 ALA  HN           40 PHE  HB+         5.50    (#   3447:20  Unique         3.96, 4.29 A)
 &rst
  ixpk= 3447, nxpk= 20, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 592, 593,
 &end
#
#  132 ASP  HA          132 ASP  HB+         4.50    (#   3448:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 3448, nxpk= 20, iat=2021,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2023,2024,
 &end
#
#    0 AMB  20-2:3449     4 ILE  HB          5.50    (#   3449:20  Single Ambig)
 &rst
  ixpk= 3449, nxpk= 20, iat=  -1,  56, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1145,1146,1147, 559, 560, 561,1102,1103,
 &end
#
#    3 ILE  QG2           4 ILE  HB          5.50    (#   3450:20  Unique         4.92, 5.78 A)
 &rst
  ixpk= 3450, nxpk= 20, iat=  -1,  56, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  39,  40,  41,
 &end
#
#    0 AMB  20-2:3451     4 ILE  HB          5.50    (#   3451:20  Single Ambig)
 &rst
  ixpk= 3451, nxpk= 20, iat=  -1,  56, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 524, 525, 527, 528,
 &end
#
#   80 VAL  HB            4 ILE  HB          5.50    (#   3452:20  Unique         4.66, 4.81 A)
 &rst
  ixpk= 3452, nxpk= 20, iat=1186,  56, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   80 VAL  HA            4 ILE  HB          5.50    (#   3453:20  Unique         2.58, 2.72 A)
 &rst
  ixpk= 3453, nxpk= 20, iat=1184,  56, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  116 VAL  MG1         117 LEU  HB+         5.50    (#   3456:20  Unique         2.72, 4.55 A)
 &rst
  ixpk= 3456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1771,1772,1773,
 igr2=1785,1786,
 &end
#
#    0 AMB  20-2:3459    34 VAL  HB          7.00    (#   3459:20  Single Ambig)
 &rst
  ixpk= 3459, nxpk= 20, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  62,  63,2121,
 &end
#
#   91 ILE  HG1+         88 LYS  HB-         5.50    (#   3462:20  Unique         5.91, 6.96 A)
 &rst
  ixpk= 3462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1377,1378,
 igr2=1313,1314,
 &end
#
#  104 THR  MG2          88 LYS  HB-         5.50    (#   3463:20  Unique         3.70, 5.07 A)
 &rst
  ixpk= 3463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1596,1597,1598,
 igr2=1313,1314,
 &end
#
#  102 VAL  MG2          88 LYS  HB-         5.50    (#   3464:20  Unique         3.33, 6.12 A)
 &rst
  ixpk= 3464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1564,1565,1566,
 igr2=1313,1314,
 &end
#
#   88 LYS  HA           88 LYS  HB-         5.50    (#   3465:20  Unique         2.34, 2.75 A)
 &rst
  ixpk= 3465, nxpk= 20, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1313,1314,
 &end
#
#   85 HIS  HA           88 LYS  HB-         5.50    (#   3466:20  Unique         2.19, 2.76 A)
 &rst
  ixpk= 3466, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1313,1314,
 &end
#
#   88 LYS  HN           88 LYS  HB-         5.50    (#   3467:20  Unique         2.33, 2.52 A)
 &rst
  ixpk= 3467, nxpk= 20, iat=1309,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1313,1314,
 &end
#
#   89 GLN  HN           88 LYS  HB-         5.50    (#   3468:20  Unique         2.55, 3.32 A)
 &rst
  ixpk= 3468, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1313,1314,
 &end
#
#  119 PRO  HA          119 PRO  HB+         5.50    (#   3469:20  Unique         2.34, 2.53 A)
 &rst
  ixpk= 3469, nxpk= 20, iat=1822,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1819,1820,
 &end
#
#  127 TYR  HA          119 PRO  HB+         5.50    (#   3470:20  Unique         2.38, 2.70 A)
 &rst
  ixpk= 3470, nxpk= 20, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1819,1820,
 &end
#
#  130 THR  HB          119 PRO  HB+         7.00    (#   3472:20  Unique         2.44, 3.64 A)
 &rst
  ixpk= 3472, nxpk= 20, iat=1985,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1819,1820,
 &end
#
#  126 ILE  QG2         119 PRO  HB+         5.50    (#   3474:20  Unique         2.32, 3.81 A)
 &rst
  ixpk= 3474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1908,1909,1910,
 igr2=1819,1820,
 &end
#
#  130 THR  MG2         119 PRO  HB+         5.50    (#   3475:20  Unique         2.66, 4.75 A)
 &rst
  ixpk= 3475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1987,1988,1989,
 igr2=1819,1820,
 &end
#
#  150 ARG  HD+         150 ARG  HB-         5.50    (#   3478:20  Unique         2.38, 3.38 A)
 &rst
  ixpk= 3478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2351,2352,
 igr2=2345,2346,
 &end
#
#  149 ARG  HA          150 ARG  HB-         5.50    (#   3480:20  Unique         4.35, 5.48 A)
 &rst
  ixpk= 3480, nxpk= 20, iat=2319,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2345,2346,
 &end
#
#    0 AMB  20-2:3481   150 ARG  HB-         5.50    (#   3481:20  Single Ambig)
 &rst
  ixpk= 3481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2255,2256,2257,2251,2252,2253,
 igr2=2345,2346,
 &end
#
#    0 AMB  20-2:3482     0 AMB  20-1:3482   5.50    (#   3482:20  Double Ambig)
 &rst
  ixpk= 3482, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1884,1885,1886,1877,1878,1879,
 igr2=1946,1947,1946,1947,
 &end
#
#   91 ILE  HG1+         88 LYS  HB+         5.50    (#   3483:20  Unique         5.91, 6.96 A)
 &rst
  ixpk= 3483, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1377,1378,
 igr2=1313,1314,
 &end
#
#   90 ILE  QG2          94 GLN  HB+         5.50    (#   3484:20  Unique         3.88, 5.41 A)
 &rst
  ixpk= 3484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1354,1355,1356,
 igr2=1411,1412,
 &end
#
#   62 LEU  QD1          15 PRO  HB-         5.50    (#   3485:20  Unique         2.69, 4.82 A)
 &rst
  ixpk= 3485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 923, 924, 925,
 igr2= 220, 221,
 &end
#
#   53 GLU  HB+         124 ILE  HG1-        5.50    (#   3488:20  Unique         2.65, 5.08 A)
 &rst
  ixpk= 3488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 771, 772,
 igr2=1881,1882,
 &end
#
#  106 LYS  HB+         106 LYS  HG+         4.50    (#   3489:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 3489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1627,1628,
 igr2=1630,1631,
 &end
#
#   15 PRO  HA           15 PRO  HB+         5.50    (#   3491:20  Unique         2.24, 2.51 A)
 &rst
  ixpk= 3491, nxpk= 20, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 220, 221,
 &end
#
#   15 PRO  HG-          15 PRO  HB+         5.50    (#   3492:20  Unique         2.37, 2.64 A)
 &rst
  ixpk= 3492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 217, 218,
 igr2= 220, 221,
 &end
#
#   91 ILE  HA           94 GLN  HB+         5.50    (#   3493:20  Unique         4.44, 4.78 A)
 &rst
  ixpk= 3493, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1411,1412,
 &end
#
#   74 MET  HA            0 AMB  20-1:3494   5.50    (#   3494:20  Single Ambig)
 &rst
  ixpk= 3494, nxpk= 20, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1105,1106,1542,1543,
 &end
#
#   71 GLU  HA           74 MET  HG-         5.50    (#   3495:20  Unique         2.72, 3.12 A)
 &rst
  ixpk= 3495, nxpk= 20, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1105,1106,
 &end
#
#    0 AMB  20-2:3496     0 AMB  20-1:3496   5.50    (#   3496:20  Double Ambig)
 &rst
  ixpk= 3496, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1=1479,1480,1428,1429,1117,
 igr2=1105,1106,1542,1543,
 &end
#
#  101 LYS  HE+         101 LYS  HD+         5.50    (#   3497:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 3497, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1545,1546,
 igr2=1542,1543,
 &end
#
#    0 AMB  20-2:3498    74 MET  HG-         5.50    (#   3498:20  Single Ambig)
 &rst
  ixpk= 3498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1056,1057,1479,1480,
 igr2=1105,1106,
 &end
#
#    0 AMB  20-2:3506    74 MET  HG-         5.50    (#   3506:20  Single Ambig)
 &rst
  ixpk= 3506, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1483,1492,1434,1438,
 igr2=1105,1106,
 &end
#
#    0 AMB  20-2:3507    74 MET  HG-         5.50    (#   3507:20  Single Ambig)
 &rst
  ixpk= 3507, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1098,1079,
 igr2=1105,1106,
 &end
#
#    0 AMB  20-2:3508     0 AMB  20-1:3508   5.50    (#   3508:20  Double Ambig)
 &rst
  ixpk= 3508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1432,1440,1163,
 igr2=1105,1106,1542,1543,
 &end
#
#   95 PHE  QD           94 GLN  HB+         5.50    (#   3509:20  Unique         3.66, 5.65 A)
 &rst
  ixpk= 3509, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1432,1440,
 igr2=1411,1412,
 &end
#
#   95 PHE  HD2          94 GLN  HB+         5.50    (#   3510:20  Unique         3.66, 4.46 A)
 &rst
  ixpk= 3510, nxpk= 20, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1411,1412,
 &end
#
#   98 TYR  HN            0 AMB  20-1:3511   5.50    (#   3511:20  Single Ambig)
 &rst
  ixpk= 3511, nxpk= 20, iat=1475,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1455,1456,1105,1106,
 &end
#
#    0 AMB  20-2:3512     0 AMB  20-1:3512   5.50    (#   3512:20  Double Ambig)
 &rst
  ixpk= 3512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1483,1492,1434,1438,
 igr2=1105,1106,1105,1106,
 &end
#
#   95 PHE  HN           94 GLN  HB+         5.50    (#   3513:20  Unique         3.87, 4.02 A)
 &rst
  ixpk= 3513, nxpk= 20, iat=1424,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1411,1412,
 &end
#
#   98 TYR  HN           97 ARG  HB+         5.50    (#   3514:20  Unique         4.17, 4.51 A)
 &rst
  ixpk= 3514, nxpk= 20, iat=1475,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1455,1456,
 &end
#
#   90 ILE  HN           90 ILE  HG1-        4.50    (#   3515:20  Unique         2.31, 3.07 A)
 &rst
  ixpk= 3515, nxpk= 20, iat=1348,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1358,1359,
 &end
#
#    0 AMB  20-2:3516     0 AMB  20-1:3516   5.50    (#   3516:20  Double Ambig)
 &rst
  ixpk= 3516, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=2178,2179,2246,2247,2210,2211,
 igr2=2229,2230,2229,2230,2229,2230,
 &end
#
#  109 VAL  MG2         144 GLN  HB+         5.50    (#   3517:20  Unique         4.04, 6.50 A)
 &rst
  ixpk= 3517, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1691,1692,1693,
 igr2=2229,2230,
 &end
#
#  109 VAL  MG1         144 GLN  HB+         5.50    (#   3518:20  Unique         4.47, 6.64 A)
 &rst
  ixpk= 3518, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1687,1688,1689,
 igr2=2229,2230,
 &end
#
#  150 ARG  HB-         144 GLN  HB+         7.00    (#   3519:20  Unique         2.82, 7.13 A)
 &rst
  ixpk= 3519, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2345,2346,
 igr2=2229,2230,
 &end
#
#  143 LYS  HN          144 GLN  HB+         7.00    (#   3520:20  Unique         4.67, 5.55 A)
 &rst
  ixpk= 3520, nxpk= 20, iat=2203,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2229,2230,
 &end
#
#  144 GLN  HE2+        144 GLN  HB+         5.50    (#   3521:20  Unique         2.33, 3.82 A)
 &rst
  ixpk= 3521, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2237,2238,
 igr2=2229,2230,
 &end
#
#  108 TYR  QE          144 GLN  HB+         5.50    (#   3522:20  Unique         2.54, 4.91 A)
 &rst
  ixpk= 3522, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1670,1675,
 igr2=2229,2230,
 &end
#
#    0 AMB  20-2:3523     0 AMB  20-1:3523   5.50    (#   3523:20  Double Ambig)
 &rst
  ixpk= 3523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1691,1692,1693,1703,1704,1705,
 igr2=2161,2162,2161,2162,
 &end
#
#    0 AMB  20-2:3524     0 AMB  20-1:3524   5.50    (#   3524:20  Double Ambig)
 &rst
  ixpk= 3524, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.88, r4=11.38,
 igr1=2178,2179,1785,1786,1949,1950,2210,2211,1819,1820,
      
 igr2=2161,2162,1968,1969,2161,2162,
 &end
#
#    3 ILE  QG2         145 LEU  MD1         5.50    (#   3531:20  Unique         4.75, 6.81 A)
 &rst
  ixpk= 3531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  39,  40,  41,
 igr2=2251,2252,2253,
 &end
#
#    3 ILE  QG2          79 LEU  HG          5.50    (#   3532:20  Unique         2.54, 3.81 A)
 &rst
  ixpk= 3532, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  39,  40,  41,
 &end
#
#    3 ILE  QG2         141 LEU  MD1         5.50    (#   3533:20  Unique         4.26, 7.30 A)
 &rst
  ixpk= 3533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  39,  40,  41,
 igr2=2183,2184,2185,
 &end
#
#  150 ARG  HB+          79 LEU  MD2         5.50    (#   3534:20  Unique         3.63, 6.60 A)
 &rst
  ixpk= 3534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2345,2346,
 igr2=1176,1177,1178,
 &end
#
#   78 ASP  HB+          79 LEU  MD2         5.50    (#   3535:20  Unique         6.02, 7.71 A)
 &rst
  ixpk= 3535, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1155,1156,
 igr2=1176,1177,1178,
 &end
#
#  108 TYR  HB+          79 LEU  MD2         5.50    (#   3536:20  Unique         4.63, 6.25 A)
 &rst
  ixpk= 3536, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1664,1665,
 igr2=1176,1177,1178,
 &end
#
#  103 PHE  HB+          79 LEU  MD2         5.50    (#   3537:20  Unique         4.28, 6.34 A)
 &rst
  ixpk= 3537, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1574,1575,
 igr2=1176,1177,1178,
 &end
#
#   80 VAL  HA           79 LEU  MD2         5.50    (#   3538:20  Unique         5.35, 6.19 A)
 &rst
  ixpk= 3538, nxpk= 20, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1176,1177,1178,
 &end
#
#   81 LEU  HA           79 LEU  MD2         5.50    (#   3539:20  Unique         5.17, 6.14 A)
 &rst
  ixpk= 3539, nxpk= 20, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1176,1177,1178,
 &end
#
#    0 AMB  20-2:3540    79 LEU  MD2         5.50    (#   3540:20  Single Ambig)
 &rst
  ixpk= 3540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  33,1570,
 igr2=1176,1177,1178,
 &end
#
#   78 ASP  HN           79 LEU  MD2         7.00    (#   3541:20  Unique         6.67, 7.31 A)
 &rst
  ixpk= 3541, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1176,1177,1178,
 &end
#
#   72 GLU  HG+          73 LEU  MD1         5.50    (#   3542:20  Unique         4.92, 6.58 A)
 &rst
  ixpk= 3542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1071,1072,
 igr2=1088,1089,1090,
 &end
#
#   35 ARG  HA           73 LEU  MD1         6.50    (#   3544:20  Unique         4.99, 6.59 A)
 &rst
  ixpk= 3544, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=1088,1089,1090,
 &end
#
#   77 ALA  HN           73 LEU  MD1         5.50    (#   3545:20  Unique         4.12, 5.26 A)
 &rst
  ixpk= 3545, nxpk= 20, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1088,1089,1090,
 &end
#
#    0 AMB  20-2:3547    73 LEU  MD1         5.50    (#   3547:20  Single Ambig)
 &rst
  ixpk= 3547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 544,1064,
 igr2=1088,1089,1090,
 &end
#
#   86 GLN  HG-          39 VAL  MG2         5.50    (#   3548:20  Unique         5.35, 7.80 A)
 &rst
  ixpk= 3548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1282,1283,
 igr2= 582, 583, 584,
 &end
#
#    0 AMB  20-2:3550     0 AMB  20-1:3550   5.50    (#   3550:20  Double Ambig)
 &rst
  ixpk= 3550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1296,1297,1296,1297,
 igr2= 582, 583, 584,  97,  98,  99,
 &end
#
#   90 ILE  HA           39 VAL  MG2         5.50    (#   3552:20  Unique         5.39, 6.96 A)
 &rst
  ixpk= 3552, nxpk= 20, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 582, 583, 584,
 &end
#
#   69 LEU  HA            6 VAL  MG1         7.00    (#   3553:20  Unique         6.45, 7.55 A)
 &rst
  ixpk= 3553, nxpk= 20, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  97,  98,  99,
 &end
#
#    7 CYS  HA            0 AMB  20-1:3554   5.50    (#   3554:20  Single Ambig)
 &rst
  ixpk= 3554, nxpk= 20, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 582, 583, 584,  97,  98,  99,
 &end
#
#   80 VAL  HA            6 VAL  MG1         5.50    (#   3555:20  Unique         3.80, 4.87 A)
 &rst
  ixpk= 3555, nxpk= 20, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  97,  98,  99,
 &end
#
#   36 SER  HA            6 VAL  MG1         7.00    (#   3556:20  Unique         5.31, 6.76 A)
 &rst
  ixpk= 3556, nxpk= 20, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  97,  98,  99,
 &end
#
#   87 HIS  HN           39 VAL  MG2         5.50    (#   3557:20  Unique         5.52, 6.58 A)
 &rst
  ixpk= 3557, nxpk= 20, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 582, 583, 584,
 &end
#
#  103 PHE  HN            6 VAL  MG1         5.50    (#   3558:20  Unique         6.12, 6.51 A)
 &rst
  ixpk= 3558, nxpk= 20, iat=1570,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  97,  98,  99,
 &end
#
#    8 THR  HA            8 THR  MG2         3.50    (#   3565:20  Unique         2.34, 2.92 A)
 &rst
  ixpk= 3565, nxpk= 20, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 124, 125, 126,
 &end
#
#   19 ALA  HA           34 VAL  MG2         5.50    (#   3568:20  Unique         5.25, 5.75 A)
 &rst
  ixpk= 3568, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 514, 515, 516,
 &end
#
#   21 PHE  HA           34 VAL  MG2         5.50    (#   3569:20  Unique         5.26, 6.57 A)
 &rst
  ixpk= 3569, nxpk= 20, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 514, 515, 516,
 &end
#
#   86 GLN  HG-           8 THR  MG2         5.50    (#   3573:20  Unique         4.80, 6.35 A)
 &rst
  ixpk= 3573, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1282,1283,
 igr2= 124, 125, 126,
 &end
#
#  104 THR  HN           81 LEU  HG          7.00    (#   3577:20  Unique         5.78, 5.88 A)
 &rst
  ixpk= 3577, nxpk= 20, iat=1590,1205, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  106 LYS  HN          105 LEU  MD1         5.50    (#   3580:20  Unique         4.95, 5.57 A)
 &rst
  ixpk= 3580, nxpk= 20, iat=1623,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1613,1614,1615,
 &end
#
#  138 LEU  HN          105 LEU  MD1         7.00    (#   3581:20  Unique         5.78, 7.12 A)
 &rst
  ixpk= 3581, nxpk= 20, iat=2114,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1613,1614,1615,
 &end
#
#  108 TYR  HN          105 LEU  MD1         5.50    (#   3582:20  Unique         4.99, 6.39 A)
 &rst
  ixpk= 3582, nxpk= 20, iat=1660,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1613,1614,1615,
 &end
#
#   80 VAL  HN          101 LYS  HG-         5.50    (#   3583:20  Unique         2.90, 5.10 A)
 &rst
  ixpk= 3583, nxpk= 20, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1539,1540,
 &end
#
#    0 AMB  20-2:3584   105 LEU  MD1         5.50    (#   3584:20  Single Ambig)
 &rst
  ixpk= 3584, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1681,1765,
 igr2=1613,1614,1615,
 &end
#
#  108 TYR  HD2         105 LEU  MD1         7.00    (#   3585:20  Unique         4.31, 5.87 A)
 &rst
  ixpk= 3585, nxpk= 20, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1613,1614,1615,
 &end
#
#   80 VAL  MG2         101 LYS  HG-         5.50    (#   3586:20  Unique         2.37, 4.95 A)
 &rst
  ixpk= 3586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1192,1193,1194,
 igr2=1539,1540,
 &end
#
#  101 LYS  HE-         101 LYS  HG-         5.50    (#   3587:20  Unique         2.39, 2.97 A)
 &rst
  ixpk= 3587, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1545,1546,
 igr2=1539,1540,
 &end
#
#  101 LYS  HE+         101 LYS  HG-         5.50    (#   3588:20  Unique         2.39, 2.97 A)
 &rst
  ixpk= 3588, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1545,1546,
 igr2=1539,1540,
 &end
#
#    0 AMB  20-2:3589   101 LYS  HG-         5.50    (#   3589:20  Single Ambig)
 &rst
  ixpk= 3589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1534,1165,
 igr2=1539,1540,
 &end
#
#  101 LYS  HN          101 LYS  HG-         5.50    (#   3590:20  Unique         2.17, 2.95 A)
 &rst
  ixpk= 3590, nxpk= 20, iat=1532,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1539,1540,
 &end
#
#  108 TYR  HD1         105 LEU  MD1         5.50    (#   3592:20  Unique         4.31, 5.87 A)
 &rst
  ixpk= 3592, nxpk= 20, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1613,1614,1615,
 &end
#
#   58 LYS  HE-          55 LEU  MD1         5.50    (#   3593:20  Unique         3.38, 4.83 A)
 &rst
  ixpk= 3593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 859, 860,
 igr2= 801, 802, 803,
 &end
#
#   25 ALA  HN           30 LEU  MD1         5.50    (#   3595:20  Unique         5.28, 6.41 A)
 &rst
  ixpk= 3595, nxpk= 20, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 450, 451, 452,
 &end
#
#  142 ALA  HN           30 LEU  MD1         5.50    (#   3596:20  Unique         5.39, 5.61 A)
 &rst
  ixpk= 3596, nxpk= 20, iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 450, 451, 452,
 &end
#
#  117 LEU  HN          117 LEU  MD1         5.50    (#   3597:20  Unique         4.51, 5.21 A)
 &rst
  ixpk= 3597, nxpk= 20, iat=1781,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1790,1791,1792,
 &end
#
#   63 ASN  HN           62 LEU  QD2         5.50    (#   3598:20  Unique         2.14, 3.35 A)
 &rst
  ixpk= 3598, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 927, 928, 929,
 &end
#
#    0 AMB  20-2:3599     0 AMB  20-1:3599   5.50    (#   3599:20  Double Ambig)
 &rst
  ixpk= 3599, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 696,1697,1645,
 igr2= 927, 928, 929,2108,2109,2110,
 &end
#
#   17 ALA  HN          134 LEU  MD1         5.50    (#   3600:20  Unique         4.13, 5.40 A)
 &rst
  ixpk= 3600, nxpk= 20, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2055,2056,2057,
 &end
#
#    0 AMB  20-2:3601   134 LEU  MD1         5.50    (#   3601:20  Single Ambig)
 &rst
  ixpk= 3601, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=2114,1781, 298,
 igr2=2055,2056,2057,
 &end
#
#  135 GLU  HN          134 LEU  MD1         5.50    (#   3602:20  Unique         5.19, 5.79 A)
 &rst
  ixpk= 3602, nxpk= 20, iat=2065,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2055,2056,2057,
 &end
#
#    0 AMB  20-2:3604   116 VAL  MG2         5.50    (#   3604:20  Single Ambig)
 &rst
  ixpk= 3604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2046,1604,
 igr2=1775,1776,1777,
 &end
#
#  106 LYS  HN          116 VAL  MG2         5.50    (#   3605:20  Unique         4.88, 6.43 A)
 &rst
  ixpk= 3605, nxpk= 20, iat=1623,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1775,1776,1777,
 &end
#
#    0 AMB  20-2:3607    20 LEU  QD1         5.50    (#   3607:20  Single Ambig)
 &rst
  ixpk= 3607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2114, 298,
 igr2= 288, 289, 290,
 &end
#
#  135 GLU  HN           20 LEU  QD1         5.50    (#   3608:20  Unique         3.04, 3.57 A)
 &rst
  ixpk= 3608, nxpk= 20, iat=2065,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 288, 289, 290,
 &end
#
#  134 LEU  HN           20 LEU  QD1         5.50    (#   3609:20  Unique         4.95, 5.26 A)
 &rst
  ixpk= 3609, nxpk= 20, iat=2046,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 288, 289, 290,
 &end
#
#   45 GLY  HN           65 VAL  MG1         5.50    (#   3610:20  Unique         2.54, 4.12 A)
 &rst
  ixpk= 3610, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 970, 971, 972,
 &end
#
#   44 ASN  HN           65 VAL  MG1         5.50    (#   3611:20  Unique         2.39, 4.39 A)
 &rst
  ixpk= 3611, nxpk= 20, iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 970, 971, 972,
 &end
#
#   46 LYS  HN           65 VAL  MG1         5.50    (#   3612:20  Unique         3.59, 6.01 A)
 &rst
  ixpk= 3612, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 970, 971, 972,
 &end
#
#    0 AMB  20-2:3613    80 VAL  MG1         5.50    (#   3613:20  Single Ambig)
 &rst
  ixpk= 3613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  91,1227,
 igr2=1188,1189,1190,
 &end
#
#    4 ILE  HN           80 VAL  MG1         5.50    (#   3614:20  Unique         4.18, 5.27 A)
 &rst
  ixpk= 3614, nxpk= 20, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1188,1189,1190,
 &end
#
#  103 PHE  HN           80 VAL  MG1         5.50    (#   3615:20  Unique         3.81, 5.20 A)
 &rst
  ixpk= 3615, nxpk= 20, iat=1570,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1188,1189,1190,
 &end
#
#   91 ILE  HN           39 VAL  MG1         5.50    (#   3616:20  Unique         3.11, 4.78 A)
 &rst
  ixpk= 3616, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 578, 579, 580,
 &end
#
#   92 ALA  HN           39 VAL  MG1         7.00    (#   3618:20  Unique         5.74, 7.10 A)
 &rst
  ixpk= 3618, nxpk= 20, iat=1386,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 578, 579, 580,
 &end
#
#    0 AMB  20-2:3619    65 VAL  MG2         5.50    (#   3619:20  Single Ambig)
 &rst
  ixpk= 3619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 686, 657,
 igr2= 974, 975, 976,
 &end
#
#   89 GLN  HN           88 LYS  QG          5.50    (#   3620:20  Unique         3.29, 4.24 A)
 &rst
  ixpk= 3620, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1316,1317,
 &end
#
#   66 SER  HB-          11 THR  MG2         5.50    (#   3621:20  Unique         3.43, 4.62 A)
 &rst
  ixpk= 3621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 984, 985,
 igr2= 159, 160, 161,
 &end
#
#   85 HIS  HA           88 LYS  QG          5.50    (#   3622:20  Unique         4.24, 4.92 A)
 &rst
  ixpk= 3622, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1316,1317,
 &end
#
#   66 SER  HB+          11 THR  MG2         3.50    (#   3623:20  Unique         3.43, 4.62 A)
 &rst
  ixpk= 3623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 984, 985,
 igr2= 159, 160, 161,
 &end
#
#    0 AMB  20-2:3626   116 VAL  MG1         5.50    (#   3626:20  Single Ambig)
 &rst
  ixpk= 3626, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1765,2095,
 igr2=1771,1772,1773,
 &end
#
#    0 AMB  20-2:3627   116 VAL  MG1         5.50    (#   3627:20  Single Ambig)
 &rst
  ixpk= 3627, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1800,1981,
 igr2=1771,1772,1773,
 &end
#
#    0 AMB  20-2:3628     0 AMB  20-1:3628   5.50    (#   3628:20  Double Ambig)
 &rst
  ixpk= 3628, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=2031,1348,
 igr2=1771,1772,1773,1316,1317,
 &end
#
#  134 LEU  HN          116 VAL  MG1         5.50    (#   3629:20  Unique         2.98, 3.86 A)
 &rst
  ixpk= 3629, nxpk= 20, iat=2046,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1771,1772,1773,
 &end
#
#  103 PHE  HN           82 ALA  MB          5.50    (#   3630:20  Unique         4.59, 5.22 A)
 &rst
  ixpk= 3630, nxpk= 20, iat=1570,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1221,1222,1223,
 &end
#
#   89 GLN  HN           82 ALA  MB          5.50    (#   3631:20  Unique         5.56, 6.12 A)
 &rst
  ixpk= 3631, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1221,1222,1223,
 &end
#
#  103 PHE  HN           80 VAL  MG2         5.50    (#   3632:20  Unique         5.91, 6.41 A)
 &rst
  ixpk= 3632, nxpk= 20, iat=1570,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1192,1193,1194,
 &end
#
#    0 AMB  20-2:3633    80 VAL  MG2         7.00    (#   3633:20  Single Ambig)
 &rst
  ixpk= 3633, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1151,1217,
 igr2=1192,1193,1194,
 &end
#
#  101 LYS  HN           80 VAL  MG2         7.00    (#   3634:20  Unique         5.19, 6.21 A)
 &rst
  ixpk= 3634, nxpk= 20, iat=1532,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1192,1193,1194,
 &end
#
#    0 AMB  20-2:3635    80 VAL  MG2         5.50    (#   3635:20  Single Ambig)
 &rst
  ixpk= 3635, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1163,1432,1440,
 igr2=1192,1193,1194,
 &end
#
#   77 ALA  HN           80 VAL  MG2         5.50    (#   3636:20  Unique         5.60, 6.07 A)
 &rst
  ixpk= 3636, nxpk= 20, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1192,1193,1194,
 &end
#
#  102 VAL  HN           80 VAL  MG2         5.50    (#   3637:20  Unique         4.95, 5.95 A)
 &rst
  ixpk= 3637, nxpk= 20, iat=1554,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1192,1193,1194,
 &end
#
#   95 PHE  QE           80 VAL  MG2         7.00    (#   3638:20  Unique         3.73, 7.09 A)
 &rst
  ixpk= 3638, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1434,1438,
 igr2=1192,1193,1194,
 &end
#
#    0 AMB  20-2:3639    80 VAL  MG2         5.50    (#   3639:20  Single Ambig)
 &rst
  ixpk= 3639, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1165,1534,
 igr2=1192,1193,1194,
 &end
#
#   77 ALA  HA           80 VAL  MG2         5.50    (#   3640:20  Unique         6.04, 6.70 A)
 &rst
  ixpk= 3640, nxpk= 20, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1192,1193,1194,
 &end
#
#  101 LYS  HE-          80 VAL  MG2         5.50    (#   3641:20  Unique         2.89, 5.60 A)
 &rst
  ixpk= 3641, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1545,1546,
 igr2=1192,1193,1194,
 &end
#
#  101 LYS  HE+          80 VAL  MG2         7.00    (#   3642:20  Unique         2.89, 5.60 A)
 &rst
  ixpk= 3642, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1545,1546,
 igr2=1192,1193,1194,
 &end
#
#   98 TYR  HB-          80 VAL  MG2         7.00    (#   3643:20  Unique         6.11, 7.26 A)
 &rst
  ixpk= 3643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1479,1480,
 igr2=1192,1193,1194,
 &end
#
#    3 ILE  QG2          80 VAL  MG2         5.50    (#   3644:20  Unique         5.79, 7.26 A)
 &rst
  ixpk= 3644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  39,  40,  41,
 igr2=1192,1193,1194,
 &end
#
#    3 ILE  QG2          77 ALA  MB          5.50    (#   3645:20  Unique         5.61, 7.27 A)
 &rst
  ixpk= 3645, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  39,  40,  41,
 igr2=1145,1146,1147,
 &end
#
#  141 LEU  HG          142 ALA  MB          7.00    (#   3647:20  Unique         6.40, 7.33 A)
 &rst
  ixpk= 3647, nxpk= 20, iat=2181,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=2197,2198,2199,
 &end
#
#  146 LYS  HE+         142 ALA  MB          5.50    (#   3648:20  Unique         3.47, 6.23 A)
 &rst
  ixpk= 3648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2274,2275,
 igr2=2197,2198,2199,
 &end
#
#  139 ARG  HD+         142 ALA  MB          5.50    (#   3649:20  Unique         5.64, 7.45 A)
 &rst
  ixpk= 3649, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2143,2144,
 igr2=2197,2198,2199,
 &end
#
#  146 LYS  HN          142 ALA  MB          5.50    (#   3651:20  Unique         4.75, 5.59 A)
 &rst
  ixpk= 3651, nxpk= 20, iat=2261,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2197,2198,2199,
 &end
#
#  143 LYS  HN          142 ALA  MB          4.50    (#   3653:20  Unique         2.75, 3.55 A)
 &rst
  ixpk= 3653, nxpk= 20, iat=2203,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=2197,2198,2199,
 &end
#
#  141 LEU  HN          142 ALA  MB          5.50    (#   3654:20  Unique         4.96, 5.58 A)
 &rst
  ixpk= 3654, nxpk= 20, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2197,2198,2199,
 &end
#
#   25 ALA  HN          142 ALA  MB          7.00    (#   3655:20  Unique         5.01, 5.85 A)
 &rst
  ixpk= 3655, nxpk= 20, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=2197,2198,2199,
 &end
#
#   91 ILE  QD1          92 ALA  MB          5.50    (#   3657:20  Unique         6.03, 7.94 A)
 &rst
  ixpk= 3657, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1380,1381,1382,
 igr2=1390,1391,1392,
 &end
#
#    3 ILE  QG2           4 ILE  QG2         5.50    (#   3659:20  Unique         5.78, 7.29 A)
 &rst
  ixpk= 3659, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  39,  40,  41,
 igr2=  58,  59,  60,
 &end
#
#    3 ILE  QG2          79 LEU  HB+         5.50    (#   3660:20  Unique         2.35, 4.26 A)
 &rst
  ixpk= 3660, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  39,  40,  41,
 igr2=1167,1168,
 &end
#
#    0 AMB  20-2:3677     3 ILE  QG2         5.50    (#   3677:20  Single Ambig)
 &rst
  ixpk= 3677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 520,  91,
 igr2=  39,  40,  41,
 &end
#
#    0 AMB  20-2:3678     3 ILE  QG2         5.50    (#   3678:20  Single Ambig)
 &rst
  ixpk= 3678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1198,1182,
 igr2=  39,  40,  41,
 &end
#
#    5 PHE  QE            3 ILE  QG2         5.50    (#   3679:20  Unique         3.83, 4.87 A)
 &rst
  ixpk= 3679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  81,  85,
 igr2=  39,  40,  41,
 &end
#
#    0 AMB  20-2:3680     3 ILE  QG2         5.50    (#   3680:20  Single Ambig)
 &rst
  ixpk= 3680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1163, 314,1668,
 igr2=  39,  40,  41,
 &end
#
#    5 PHE  HA            3 ILE  QG2         5.50    (#   3681:20  Unique         3.77, 4.92 A)
 &rst
  ixpk= 3681, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  39,  40,  41,
 &end
#
#   81 LEU  HA            3 ILE  QG2         7.00    (#   3682:20  Unique         5.25, 5.76 A)
 &rst
  ixpk= 3682, nxpk= 20, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  39,  40,  41,
 &end
#
#   34 VAL  HA            3 ILE  QG2         5.50    (#   3683:20  Unique         4.64, 5.32 A)
 &rst
  ixpk= 3683, nxpk= 20, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  39,  40,  41,
 &end
#
#   80 VAL  HA            3 ILE  QG2         5.50    (#   3684:20  Unique         3.85, 4.58 A)
 &rst
  ixpk= 3684, nxpk= 20, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  39,  40,  41,
 &end
#
#   18 GLU  HA            3 ILE  QG2         7.00    (#   3685:20  Unique         6.41, 7.22 A)
 &rst
  ixpk= 3685, nxpk= 20, iat= 256,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  39,  40,  41,
 &end
#
#    1 MET  HG+           3 ILE  QG2         5.50    (#   3686:20  Unique         5.53, 6.70 A)
 &rst
  ixpk= 3686, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  11,  12,
 igr2=  39,  40,  41,
 &end
#
#    5 PHE  HB+           3 ILE  QG2         5.50    (#   3688:20  Unique         5.08, 6.41 A)
 &rst
  ixpk= 3688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  75,  76,
 igr2=  39,  40,  41,
 &end
#
#    0 AMB  20-2:3692    17 ALA  MB          5.50    (#   3692:20  Single Ambig)
 &rst
  ixpk= 3692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 258, 259,2050,2051,
 igr2= 248, 249, 250,
 &end
#
#   16 MET  HB+          17 ALA  MB          5.50    (#   3693:20  Unique         4.01, 5.34 A)
 &rst
  ixpk= 3693, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 231, 232,
 igr2= 248, 249, 250,
 &end
#
#    0 AMB  20-2:3694     0 AMB  20-1:3694   5.50    (#   3694:20  Double Ambig)
 &rst
  ixpk= 3694, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 188, 189, 302, 303, 530, 531,
 igr2= 248, 249, 250,  58,  59,  60,
 &end
#
#    0 AMB  20-2:3695     0 AMB  20-1:3695   5.50    (#   3695:20  Double Ambig)
 &rst
  ixpk= 3695, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 188, 189, 530, 531,
 igr2= 248, 249, 250,  58,  59,  60,
 &end
#
#   80 VAL  HA            4 ILE  QG2         5.50    (#   3697:20  Unique         4.40, 5.08 A)
 &rst
  ixpk= 3697, nxpk= 20, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  58,  59,  60,
 &end
#
#    0 AMB  20-2:3698     4 ILE  QG2         5.50    (#   3698:20  Single Ambig)
 &rst
  ixpk= 3698, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 522,1219,
 igr2=  58,  59,  60,
 &end
#
#    5 PHE  HA            0 AMB  20-1:3699   5.50    (#   3699:20  Single Ambig)
 &rst
  ixpk= 3699, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=  58,  59,  60, 248, 249, 250,
 &end
#
#    0 AMB  20-2:3701     0 AMB  20-1:3701   5.50    (#   3701:20  Double Ambig)
 &rst
  ixpk= 3701, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 269, 107,
 igr2= 248, 249, 250,  58,  59,  60,
 &end
#
#    0 AMB  20-2:3703    17 ALA  MB          5.50    (#   3703:20  Single Ambig)
 &rst
  ixpk= 3703, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 298,2114,
 igr2= 248, 249, 250,
 &end
#
#    3 ILE  HN            4 ILE  QG2         7.00    (#   3704:20  Unique         6.87, 7.77 A)
 &rst
  ixpk= 3704, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  58,  59,  60,
 &end
#
#   81 LEU  HN            4 ILE  QG2         5.50    (#   3705:20  Unique         4.27, 5.29 A)
 &rst
  ixpk= 3705, nxpk= 20, iat=1198,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  58,  59,  60,
 &end
#
#    0 AMB  20-2:3706     0 AMB  20-1:3706   5.50    (#   3706:20  Double Ambig)
 &rst
  ixpk= 3706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1=1086,1202,1203,2118,2119,
 igr2=  58,  59,  60, 248, 249, 250,
 &end
#
#    0 AMB  20-2:3707    77 ALA  MB          5.50    (#   3707:20  Single Ambig)
 &rst
  ixpk= 3707, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 527, 528, 524, 525,
 igr2=1145,1146,1147,
 &end
#
#   35 ARG  HB+          77 ALA  MB          5.50    (#   3708:20  Unique         4.77, 6.50 A)
 &rst
  ixpk= 3708, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 524, 525,
 igr2=1145,1146,1147,
 &end
#
#   33 ASN  HB+          77 ALA  MB          5.50    (#   3710:20  Unique         6.56, 7.97 A)
 &rst
  ixpk= 3710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 494, 495,
 igr2=1145,1146,1147,
 &end
#
#  101 LYS  HE-          77 ALA  MB          5.50    (#   3711:20  Unique         3.71, 6.66 A)
 &rst
  ixpk= 3711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1545,1546,
 igr2=1145,1146,1147,
 &end
#
#    0 AMB  20-2:3712    91 ILE  QG2         5.50    (#   3712:20  Single Ambig)
 &rst
  ixpk= 3712, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1428,1429,1479,1480,
 igr2=1373,1374,1375,
 &end
#
#    0 AMB  20-2:3713    77 ALA  MB          5.50    (#   3713:20  Single Ambig)
 &rst
  ixpk= 3713, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 530, 531,1545,1546,
 igr2=1145,1146,1147,
 &end
#
#   75 GLU  HA           77 ALA  MB          5.50    (#   3714:20  Unique         5.08, 6.34 A)
 &rst
  ixpk= 3714, nxpk= 20, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1145,1146,1147,
 &end
#
#   80 VAL  HA           77 ALA  MB          5.50    (#   3716:20  Unique         5.01, 5.50 A)
 &rst
  ixpk= 3716, nxpk= 20, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1145,1146,1147,
 &end
#
#   79 LEU  HA           77 ALA  MB          5.50    (#   3717:20  Unique         5.26, 6.07 A)
 &rst
  ixpk= 3717, nxpk= 20, iat=1165,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1145,1146,1147,
 &end
#
#    2 ASP  HA           77 ALA  MB          7.00    (#   3718:20  Unique         4.80, 5.82 A)
 &rst
  ixpk= 3718, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1145,1146,1147,
 &end
#
#    0 AMB  20-2:3719    77 ALA  MB          5.50    (#   3719:20  Single Ambig)
 &rst
  ixpk= 3719, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1098,1079,
 igr2=1145,1146,1147,
 &end
#
#   77 ALA  HN           77 ALA  MB          3.50    (#   3720:20  Unique         2.45, 2.92 A)
 &rst
  ixpk= 3720, nxpk= 20, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1145,1146,1147,
 &end
#
#    0 AMB  20-2:3721    77 ALA  MB          5.50    (#   3721:20  Single Ambig)
 &rst
  ixpk= 3721, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1182,1198,
 igr2=1145,1146,1147,
 &end
#
#   80 VAL  HB           77 ALA  MB          5.50    (#   3722:20  Unique         6.07, 6.76 A)
 &rst
  ixpk= 3722, nxpk= 20, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1145,1146,1147,
 &end
#
#   91 ILE  HB           82 ALA  MB          4.50    (#   3723:20  Unique         4.62, 5.37 A)
 &rst
  ixpk= 3723, nxpk= 20, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1221,1222,1223,
 &end
#
#    0 AMB  20-2:3724    82 ALA  MB          5.50    (#   3724:20  Single Ambig)
 &rst
  ixpk= 3724, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1377,1378,1186,1352,
 igr2=1221,1222,1223,
 &end
#
#   83 MET  HB+          82 ALA  MB          5.50    (#   3725:20  Unique         5.01, 6.41 A)
 &rst
  ixpk= 3725, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1231,1232,
 igr2=1221,1222,1223,
 &end
#
#   85 HIS  HA           82 ALA  MB          5.50    (#   3726:20  Unique         4.31, 5.41 A)
 &rst
  ixpk= 3726, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1221,1222,1223,
 &end
#
#  140 GLN  HB+         110 THR  MG2         5.50    (#   3727:20  Unique         4.64, 6.13 A)
 &rst
  ixpk= 3727, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2161,2162,
 igr2=1703,1704,1705,
 &end
#
#    0 AMB  20-2:3729   110 THR  MG2         5.50    (#   3729:20  Single Ambig)
 &rst
  ixpk= 3729, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1636,1637,2164,2165,
 igr2=1703,1704,1705,
 &end
#
#  106 LYS  HE+         110 THR  MG2         5.50    (#   3730:20  Unique         4.65, 6.35 A)
 &rst
  ixpk= 3730, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1636,1637,
 igr2=1703,1704,1705,
 &end
#
#  112 SER  HB+         110 THR  MG2         5.50    (#   3731:20  Unique         5.06, 7.10 A)
 &rst
  ixpk= 3731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1722,1723,
 igr2=1703,1704,1705,
 &end
#
#  110 THR  HA          110 THR  MG2         3.00    (#   3732:20  Unique         2.35, 3.01 A)
 &rst
  ixpk= 3732, nxpk= 20, iat=1699,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1703,1704,1705,
 &end
#
#  140 GLN  HE2-        110 THR  MG2         7.00    (#   3733:20  Unique         2.58, 4.21 A)
 &rst
  ixpk= 3733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=2169,2170,
 igr2=1703,1704,1705,
 &end
#
#  112 SER  HN          110 THR  MG2         5.50    (#   3734:20  Unique         5.18, 5.87 A)
 &rst
  ixpk= 3734, nxpk= 20, iat=1718,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1703,1704,1705,
 &end
#
#  119 PRO  HA          130 THR  MG2         5.50    (#   3736:20  Unique         4.94, 6.17 A)
 &rst
  ixpk= 3736, nxpk= 20, iat=1822,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1987,1988,1989,
 &end
#
#  118 ASP  HA          130 THR  MG2         7.00    (#   3737:20  Unique         4.31, 5.52 A)
 &rst
  ixpk= 3737, nxpk= 20, iat=1802,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1987,1988,1989,
 &end
#
#  110 THR  HN          110 THR  MG2         4.50    (#   3738:20  Unique         2.80, 3.86 A)
 &rst
  ixpk= 3738, nxpk= 20, iat=1697,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1703,1704,1705,
 &end
#
#  134 LEU  HN          130 THR  MG2         5.50    (#   3739:20  Unique         4.24, 5.07 A)
 &rst
  ixpk= 3739, nxpk= 20, iat=2046,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1987,1988,1989,
 &end
#
#   69 LEU  MD1          70 THR  MG2         5.50    (#   3740:20  Unique         5.42, 7.10 A)
 &rst
  ixpk= 3740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1025,1026,1027,
 igr2=1041,1042,1043,
 &end
#
#    0 AMB  20-2:3741    70 THR  MG2         7.00    (#   3741:20  Single Ambig)
 &rst
  ixpk= 3741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1=1003,1004,1051,
 igr2=1041,1042,1043,
 &end
#
#   70 THR  HB           70 THR  MG2         3.00    (#   3743:20  Unique         2.44, 2.67 A)
 &rst
  ixpk= 3743, nxpk= 20, iat=1039,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2=1041,1042,1043,
 &end
#
#   95 PHE  HD2          70 THR  MG2         5.50    (#   3744:20  Unique         5.99, 6.94 A)
 &rst
  ixpk= 3744, nxpk= 20, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1041,1042,1043,
 &end
#
#    0 AMB  20-2:3746     0 AMB  20-1:3746   5.50    (#   3746:20  Double Ambig)
 &rst
  ixpk= 3746, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=2193,  91, 520,
 igr2=1687,1688,1689, 559, 560, 561,
 &end
#
#  144 GLN  HE2+        141 LEU  MD1         5.50    (#   3747:20  Unique         3.63, 6.90 A)
 &rst
  ixpk= 3747, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2237,2238,
 igr2=2183,2184,2185,
 &end
#
#    0 AMB  20-2:3748   141 LEU  MD1         5.50    (#   3748:20  Single Ambig)
 &rst
  ixpk= 3748, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  81,  85, 308, 312,
 igr2=2183,2184,2185,
 &end
#
#  108 TYR  HD2         141 LEU  MD1         5.50    (#   3749:20  Unique         2.41, 3.39 A)
 &rst
  ixpk= 3749, nxpk= 20, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2183,2184,2185,
 &end
#
#  144 GLN  HE2-        141 LEU  MD1         5.50    (#   3750:20  Unique         3.63, 6.90 A)
 &rst
  ixpk= 3750, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2237,2238,
 igr2=2183,2184,2185,
 &end
#
#   37 ALA  HA            6 VAL  MG2         5.50    (#   3751:20  Unique         4.91, 6.22 A)
 &rst
  ixpk= 3751, nxpk= 20, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 101, 102, 103,
 &end
#
#    0 AMB  20-2:3755     0 AMB  20-1:3755   4.50    (#   3755:20  Double Ambig)
 &rst
  ixpk= 3755, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1296,1297,1664,1665,
 igr2= 101, 102, 103,2183,2184,2185,
 &end
#
#    3 ILE  QG2         105 LEU  MD1         7.00    (#   3757:20  Unique         6.44, 7.80 A)
 &rst
  ixpk= 3757, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1=  39,  40,  41,
 igr2=1613,1614,1615,
 &end
#
#   81 LEU  HB+          79 LEU  MD1         5.50    (#   3758:20  Unique         5.03, 6.62 A)
 &rst
  ixpk= 3758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1202,1203,
 igr2=1172,1173,1174,
 &end
#
#  103 PHE  HB-          79 LEU  MD1         5.50    (#   3759:20  Unique         3.25, 5.22 A)
 &rst
  ixpk= 3759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1574,1575,
 igr2=1172,1173,1174,
 &end
#
#  106 LYS  HE+         109 VAL  MG2         5.50    (#   3761:20  Unique         6.09, 7.50 A)
 &rst
  ixpk= 3761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1636,1637,
 igr2=1691,1692,1693,
 &end
#
#   21 PHE  HB-          20 LEU  QD1         5.50    (#   3762:20  Unique         6.01, 7.69 A)
 &rst
  ixpk= 3762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 302, 303,
 igr2= 288, 289, 290,
 &end
#
#  131 ARG  HB+          20 LEU  QD1         5.50    (#   3763:20  Unique         2.88, 4.68 A)
 &rst
  ixpk= 3763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1999,2000,
 igr2= 288, 289, 290,
 &end
#
#    0 AMB  20-2:3764    69 LEU  MD1         5.50    (#   3764:20  Single Ambig)
 &rst
  ixpk= 3764, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 555, 565,
 igr2=1025,1026,1027,
 &end
#
#   17 ALA  HA          134 LEU  MD1         5.50    (#   3765:20  Unique         2.99, 4.32 A)
 &rst
  ixpk= 3765, nxpk= 20, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2055,2056,2057,
 &end
#
#    0 AMB  20-2:3766   134 LEU  MD1         5.50    (#   3766:20  Single Ambig)
 &rst
  ixpk= 3766, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1997,2067,
 igr2=2055,2056,2057,
 &end
#
#    0 AMB  20-2:3767   134 LEU  MD1         5.50    (#   3767:20  Single Ambig)
 &rst
  ixpk= 3767, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1767,2097,2033,
 igr2=2055,2056,2057,
 &end
#
#    0 AMB  20-2:3768   134 LEU  MD1         7.00    (#   3768:20  Single Ambig)
 &rst
  ixpk= 3768, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1=  79,  87, 227,
 igr2=2055,2056,2057,
 &end
#
#    0 AMB  20-2:3769   134 LEU  MD1         5.50    (#   3769:20  Single Ambig)
 &rst
  ixpk= 3769, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2095,1765,
 igr2=2055,2056,2057,
 &end
#
#  108 TYR  HB+         105 LEU  MD1         5.50    (#   3770:20  Unique         3.72, 5.76 A)
 &rst
  ixpk= 3770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1664,1665,
 igr2=1613,1614,1615,
 &end
#
#  141 LEU  HB+         105 LEU  MD1         5.50    (#   3771:20  Unique         4.88, 6.88 A)
 &rst
  ixpk= 3771, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2178,2179,
 igr2=1613,1614,1615,
 &end
#
#  134 LEU  HA          105 LEU  MD1         5.50    (#   3772:20  Unique         5.30, 6.63 A)
 &rst
  ixpk= 3772, nxpk= 20, iat=2048,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1613,1614,1615,
 &end
#
#  105 LEU  HA          105 LEU  MD1         3.50    (#   3773:20  Unique         2.17, 2.91 A)
 &rst
  ixpk= 3773, nxpk= 20, iat=1606,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1613,1614,1615,
 &end
#
#    0 AMB  20-2:3776     0 AMB  20-1:3776   5.50    (#   3776:20  Double Ambig)
 &rst
  ixpk= 3776, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1534,1165,
 igr2=1539,1540,1539,1540,
 &end
#
#  101 LYS  HE-         101 LYS  HG+         5.50    (#   3777:20  Unique         2.39, 2.97 A)
 &rst
  ixpk= 3777, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1545,1546,
 igr2=1539,1540,
 &end
#
#  101 LYS  HE+         101 LYS  HG+         4.50    (#   3778:20  Unique         2.39, 2.97 A)
 &rst
  ixpk= 3778, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1545,1546,
 igr2=1539,1540,
 &end
#
#   80 VAL  MG2         101 LYS  HG+         5.50    (#   3779:20  Unique         2.37, 4.95 A)
 &rst
  ixpk= 3779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1192,1193,1194,
 igr2=1539,1540,
 &end
#
#  102 VAL  MG2         101 LYS  HG+         4.50    (#   3780:20  Unique         3.39, 6.03 A)
 &rst
  ixpk= 3780, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1564,1565,1566,
 igr2=1539,1540,
 &end
#
#  101 LYS  HB+         101 LYS  HG+         3.50    (#   3781:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 3781, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1536,1537,
 igr2=1539,1540,
 &end
#
#   24 ILE  HG1+        139 ARG  HG+         5.50    (#   3782:20  Unique         3.11, 5.26 A)
 &rst
  ixpk= 3782, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 361, 362,
 igr2=2140,2141,
 &end
#
#  139 ARG  HN          139 ARG  HG+         5.50    (#   3783:20  Unique         2.56, 3.84 A)
 &rst
  ixpk= 3783, nxpk= 20, iat=2133,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2140,2141,
 &end
#
#    0 AMB  20-2:3784     0 AMB  20-1:3784   5.50    (#   3784:20  Double Ambig)
 &rst
  ixpk= 3784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=2143,2144,2005,2006,
 igr2=2213,2214,1952,1953,
 &end
#
#  148 ASP  HA          147 LYS  HD+         7.00    (#   3786:20  Unique         5.97, 7.18 A)
 &rst
  ixpk= 3786, nxpk= 20, iat=2307,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2293,2294,
 &end
#
#  147 LYS  HN            0 AMB  20-1:3787   5.50    (#   3787:20  Single Ambig)
 &rst
  ixpk= 3787, nxpk= 20, iat=2283,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=2293,2294,2213,2214,
 &end
#
#    0 AMB  20-2:3788     0 AMB  20-1:3788   5.50    (#   3788:20  Double Ambig)
 &rst
  ixpk= 3788, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2225,2031,
 igr2=2213,2214,2293,2294,1952,1953,
 &end
#
#   71 GLU  HA           74 MET  HB-         5.50    (#   3789:20  Unique         2.16, 3.05 A)
 &rst
  ixpk= 3789, nxpk= 20, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1102,1103,
 &end
#
#   74 MET  HA           74 MET  HB-         5.50    (#   3790:20  Unique         2.19, 2.54 A)
 &rst
  ixpk= 3790, nxpk= 20, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1102,1103,
 &end
#
#   74 MET  HN           74 MET  HB-         5.50    (#   3791:20  Unique         2.03, 2.61 A)
 &rst
  ixpk= 3791, nxpk= 20, iat=1098,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1102,1103,
 &end
#
#   75 GLU  HN           74 MET  HB-         7.00    (#   3792:20  Unique         2.93, 3.74 A)
 &rst
  ixpk= 3792, nxpk= 20, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1102,1103,
 &end
#
#  134 LEU  HB+         134 LEU  HG          5.50    (#   3794:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 3794, nxpk= 20, iat=  -1,2053, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2050,2051,
 &end
#
#  134 LEU  HA          134 LEU  HG          5.50    (#   3795:20  Unique         2.96, 3.04 A)
 &rst
  ixpk= 3795, nxpk= 20, iat=2048,2053, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  134 LEU  HN          134 LEU  HG          7.00    (#   3796:20  Unique         4.49, 4.52 A)
 &rst
  ixpk= 3796, nxpk= 20, iat=2046,2053, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  20-2:3797     4 ILE  HG1-        5.50    (#   3797:20  Single Ambig)
 &rst
  ixpk= 3797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 527, 528, 524, 525,
 igr2=  62,  63,
 &end
#
#    4 ILE  HN            4 ILE  HG1-        5.50    (#   3798:20  Unique         2.47, 3.41 A)
 &rst
  ixpk= 3798, nxpk= 20, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  62,  63,
 &end
#
#    5 PHE  HN            4 ILE  HG1-        5.50    (#   3799:20  Unique         4.65, 4.96 A)
 &rst
  ixpk= 3799, nxpk= 20, iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  62,  63,
 &end
#
#    1 MET  HE           79 LEU  HG          5.50    (#   3801:20  Unique         4.51, 5.26 A)
 &rst
  ixpk= 3801, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  15,  16,  17,
 &end
#
#   79 LEU  HA           79 LEU  HG          5.50    (#   3802:20  Unique         2.77, 3.01 A)
 &rst
  ixpk= 3802, nxpk= 20, iat=1165,1170, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:3803    79 LEU  HG          5.50    (#   3803:20  Single Ambig)
 &rst
  ixpk= 3803, nxpk= 20, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1163,1580,1584,
 &end
#
#   80 VAL  HN           79 LEU  HG          5.50    (#   3804:20  Unique         2.24, 2.59 A)
 &rst
  ixpk= 3804, nxpk= 20, iat=1182,1170, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81 LEU  MD1           0 AMB  20-1:3806   5.50    (#   3806:20  Single Ambig)
 &rst
  ixpk= 3806, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1207,1208,1209,
 igr2=2102,2249,
 &end
#
#  141 LEU  HG            0 AMB  20-1:3807   7.00    (#   3807:20  Single Ambig)
 &rst
  ixpk= 3807, nxpk= 20, iat=2181,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2249,2102,
 &end
#
#   79 LEU  MD2         145 LEU  HG          5.50    (#   3808:20  Unique         5.09, 5.83 A)
 &rst
  ixpk= 3808, nxpk= 20, iat=  -1,2249, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1176,1177,1178,
 &end
#
#  109 VAL  MG1         137 LEU  HG          4.50    (#   3809:20  Unique         2.50, 3.93 A)
 &rst
  ixpk= 3809, nxpk= 20, iat=  -1,2102, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1687,1688,1689,
 &end
#
#  139 ARG  HN          137 LEU  HG          5.50    (#   3810:20  Unique         5.53, 5.54 A)
 &rst
  ixpk= 3810, nxpk= 20, iat=2133,2102, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 HIS  HB+          62 LEU  HG          5.50    (#   3812:20  Unique         4.11, 4.58 A)
 &rst
  ixpk= 3812, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 951, 952,
 &end
#
#   64 HIS  HB-          62 LEU  HG          5.50    (#   3813:20  Unique         4.11, 4.58 A)
 &rst
  ixpk= 3813, nxpk= 20, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 951, 952,
 &end
#
#  148 ASP  HB-         150 ARG  HG+         5.50    (#   3814:20  Unique         2.34, 6.22 A)
 &rst
  ixpk= 3814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2309,2310,
 igr2=2348,2349,
 &end
#
#  148 ASP  HB+         150 ARG  HG+         5.50    (#   3815:20  Unique         2.34, 6.22 A)
 &rst
  ixpk= 3815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2309,2310,
 igr2=2348,2349,
 &end
#
#   62 LEU  HN           62 LEU  HG          5.50    (#   3818:20  Unique         4.26, 4.39 A)
 &rst
  ixpk= 3818, nxpk= 20, iat= 914, 921, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:3820     0 AMB  20-1:3820   7.00    (#   3820:20  Double Ambig)
 &rst
  ixpk= 3820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 188, 189, 302, 303,
 igr2=1611, 286,
 &end
#
#    0 AMB  20-2:3827    30 LEU  HG          4.50    (#   3827:20  Single Ambig)
 &rst
  ixpk= 3827, nxpk= 20, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 423, 424, 426, 427,
 &end
#
#   35 ARG  HD+          35 ARG  HG+         3.50    (#   3830:20  Unique         2.37, 2.68 A)
 &rst
  ixpk= 3830, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 530, 531,
 igr2= 527, 528,
 &end
#
#   73 LEU  MD2          35 ARG  HG+         3.50    (#   3832:20  Unique         3.02, 5.31 A)
 &rst
  ixpk= 3832, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1092,1093,1094,
 igr2= 527, 528,
 &end
#
#   43 PRO  HB+          68 PRO  HG+         5.50    (#   3833:20  Unique         5.79, 6.81 A)
 &rst
  ixpk= 3833, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 636, 637,
 igr2=1006,1007,
 &end
#
#   67 SER  HB-          68 PRO  HG+         4.50    (#   3834:20  Unique         3.82, 5.18 A)
 &rst
  ixpk= 3834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 995, 996,
 igr2=1006,1007,
 &end
#
#    1 MET  HE            3 ILE  HG1-        4.50    (#   3835:20  Unique         2.19, 4.07 A)
 &rst
  ixpk= 3835, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  15,  16,  17,
 igr2=  43,  44,
 &end
#
#    1 MET  HG+           3 ILE  HG1-        5.50    (#   3836:20  Unique         2.26, 3.53 A)
 &rst
  ixpk= 3836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  11,  12,
 igr2=  43,  44,
 &end
#
#   15 PRO  HD-          15 PRO  HG-         5.50    (#   3837:20  Unique         2.31, 2.60 A)
 &rst
  ixpk= 3837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 214, 215,
 igr2= 217, 218,
 &end
#
#   15 PRO  HD+          15 PRO  HG-         5.50    (#   3838:20  Unique         2.31, 2.60 A)
 &rst
  ixpk= 3838, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 214, 215,
 igr2= 217, 218,
 &end
#
#   15 PRO  HA           15 PRO  HG-         5.50    (#   3839:20  Unique         2.84, 3.84 A)
 &rst
  ixpk= 3839, nxpk= 20, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 217, 218,
 &end
#
#   11 THR  HA           15 PRO  HG-         5.50    (#   3840:20  Unique         2.22, 3.01 A)
 &rst
  ixpk= 3840, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 217, 218,
 &end
#
#   16 MET  HN           15 PRO  HG-         5.50    (#   3841:20  Unique         2.65, 3.72 A)
 &rst
  ixpk= 3841, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 217, 218,
 &end
#
#    3 ILE  HN            3 ILE  HG1-        5.50    (#   3842:20  Unique         2.34, 3.08 A)
 &rst
  ixpk= 3842, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  43,  44,
 &end
#
#    4 ILE  HG1-         35 ARG  HG+         5.50    (#   3848:20  Unique         2.23, 4.20 A)
 &rst
  ixpk= 3848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  62,  63,
 igr2= 527, 528,
 &end
#
#   24 ILE  HA           27 ARG  HG+         5.50    (#   3850:20  Unique         2.13, 3.04 A)
 &rst
  ixpk= 3850, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 402, 403,
 &end
#
#   24 ILE  HA           27 ARG  HG-         5.50    (#   3851:20  Unique         2.13, 3.04 A)
 &rst
  ixpk= 3851, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 402, 403,
 &end
#
#    0 AMB  20-2:3853     0 AMB  20-1:3853   5.50    (#   3853:20  Double Ambig)
 &rst
  ixpk= 3853, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 421, 342,
 igr2= 402, 403, 402, 403,
 &end
#
#    0 AMB  20-2:3854    27 ARG  HG-         5.50    (#   3854:20  Single Ambig)
 &rst
  ixpk= 3854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 421, 342,
 igr2= 402, 403,
 &end
#
#   28 GLU  HN           27 ARG  HG+         5.50    (#   3855:20  Unique         2.62, 3.92 A)
 &rst
  ixpk= 3855, nxpk= 20, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 402, 403,
 &end
#
#   28 GLU  HN           27 ARG  HG-         5.50    (#   3856:20  Unique         2.62, 3.92 A)
 &rst
  ixpk= 3856, nxpk= 20, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 402, 403,
 &end
#
#   94 GLN  HE2+         69 LEU  HG          5.50    (#   3859:20  Unique         2.52, 2.93 A)
 &rst
  ixpk= 3859, nxpk= 20, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1419,1420,
 &end
#
#  100 ASP  HN           97 ARG  HG+         5.50    (#   3860:20  Unique         4.24, 5.35 A)
 &rst
  ixpk= 3860, nxpk= 20, iat=1520,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1458,1459,
 &end
#
#   21 PHE  QD          145 LEU  HG          7.00    (#   3865:20  Unique         5.79, 6.93 A)
 &rst
  ixpk= 3865, nxpk= 20, iat=  -1,2249, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 306, 314,
 &end
#
#   68 PRO  HD-          68 PRO  HG+         3.50    (#   3866:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 3866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1003,1004,
 igr2=1006,1007,
 &end
#
#   82 ALA  HN           81 LEU  MD1         7.00    (#   3869:20  Unique         5.84, 6.12 A)
 &rst
  ixpk= 3869, nxpk= 20, iat=1217,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1207,1208,1209,
 &end
#
#  106 LYS  HN          105 LEU  HG          5.50    (#   3870:20  Unique         3.48, 3.81 A)
 &rst
  ixpk= 3870, nxpk= 20, iat=1623,1611, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:3872     0 AMB  20-1:3872   5.50    (#   3872:20  Double Ambig)
 &rst
  ixpk= 3872, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 244,1645,1697,
 igr2= 286,1611,
 &end
#
#    0 AMB  20-2:3874    30 LEU  HG          5.50    (#   3874:20  Single Ambig)
 &rst
  ixpk= 3874, nxpk= 20, iat=  -1, 448, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 434,2283,
 &end
#
#   90 ILE  QD1          86 GLN  HB+         5.50    (#   3877:20  Unique         4.41, 5.58 A)
 &rst
  ixpk= 3877, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1361,1362,1363,
 igr2=1279,1280,
 &end
#
#   90 ILE  QD1          86 GLN  HB-         5.50    (#   3878:20  Unique         4.41, 5.58 A)
 &rst
  ixpk= 3878, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1361,1362,1363,
 igr2=1279,1280,
 &end
#
#    0 AMB  20-2:3880    86 GLN  HB-         5.50    (#   3880:20  Single Ambig)
 &rst
  ixpk= 3880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1250,1251,1252,1358,1359,
 igr2=1279,1280,
 &end
#
#   84 THR  HB           86 GLN  HB+         5.50    (#   3881:20  Unique         2.77, 4.07 A)
 &rst
  ixpk= 3881, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1279,1280,
 &end
#
#   84 THR  HB           86 GLN  HB-         5.50    (#   3882:20  Unique         2.77, 4.07 A)
 &rst
  ixpk= 3882, nxpk= 20, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1279,1280,
 &end
#
#   87 HIS  HN           86 GLN  HB+         5.50    (#   3883:20  Unique         2.61, 3.35 A)
 &rst
  ixpk= 3883, nxpk= 20, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1279,1280,
 &end
#
#   87 HIS  HN           86 GLN  HB-         5.50    (#   3884:20  Unique         2.61, 3.35 A)
 &rst
  ixpk= 3884, nxpk= 20, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1279,1280,
 &end
#
#   86 GLN  HN           86 GLN  HB+         5.50    (#   3885:20  Unique         2.45, 2.55 A)
 &rst
  ixpk= 3885, nxpk= 20, iat=1275,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1279,1280,
 &end
#
#   86 GLN  HN           86 GLN  HB-         5.50    (#   3886:20  Unique         2.45, 2.55 A)
 &rst
  ixpk= 3886, nxpk= 20, iat=1275,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1279,1280,
 &end
#
#    0 AMB  20-2:3887     0 AMB  20-1:3887   5.50    (#   3887:20  Double Ambig)
 &rst
  ixpk= 3887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 220, 221, 927, 928, 929,
 igr2= 217, 218, 217, 218,
 &end
#
#   15 PRO  HD-          15 PRO  HG+         5.50    (#   3888:20  Unique         2.31, 2.60 A)
 &rst
  ixpk= 3888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 214, 215,
 igr2= 217, 218,
 &end
#
#   15 PRO  HD+          15 PRO  HG+         5.50    (#   3889:20  Unique         2.31, 2.60 A)
 &rst
  ixpk= 3889, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 214, 215,
 igr2= 217, 218,
 &end
#
#   15 PRO  HA           15 PRO  HG+         5.50    (#   3890:20  Unique         2.84, 3.84 A)
 &rst
  ixpk= 3890, nxpk= 20, iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 217, 218,
 &end
#
#   11 THR  HA           15 PRO  HG+         5.50    (#   3891:20  Unique         2.22, 3.01 A)
 &rst
  ixpk= 3891, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 217, 218,
 &end
#
#  140 GLN  HN          139 ARG  HB+         5.50    (#   3892:20  Unique         2.61, 3.22 A)
 &rst
  ixpk= 3892, nxpk= 20, iat=2157,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2137,2138,
 &end
#
#  112 SER  HA          113 HIS  HB-         5.00    (#   3894:20  Unique         4.65, 5.20 A)
 &rst
  ixpk= 3894, nxpk= 20, iat=1720,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1733,1734,
 &end
#
#  112 SER  HA          113 HIS  HB+         5.00    (#   3895:20  Unique         4.65, 5.20 A)
 &rst
  ixpk= 3895, nxpk= 20, iat=1720,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1733,1734,
 &end
#
#  113 HIS  HD2         113 HIS  HB+         3.00    (#   3896:20  Unique         2.57, 3.06 A)
 &rst
  ixpk= 3896, nxpk= 20, iat=1742,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1733,1734,
 &end
#
#  113 HIS  HD2         113 HIS  HB-         3.00    (#   3897:20  Unique         2.57, 3.06 A)
 &rst
  ixpk= 3897, nxpk= 20, iat=1742,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1733,1734,
 &end
#
#  113 HIS  HN          113 HIS  HB+         3.70    (#   3898:20  Unique         2.49, 3.08 A)
 &rst
  ixpk= 3898, nxpk= 20, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1733,1734,
 &end
#
#  113 HIS  HN          113 HIS  HB-         3.70    (#   3899:20  Unique         2.49, 3.08 A)
 &rst
  ixpk= 3899, nxpk= 20, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1733,1734,
 &end
#
#    6 VAL  MG2          87 HIS  HB+         5.50    (#   3900:20  Unique         3.19, 5.28 A)
 &rst
  ixpk= 3900, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 101, 102, 103,
 igr2=1296,1297,
 &end
#
#   91 ILE  QD1          87 HIS  HB+         5.50    (#   3901:20  Unique         2.93, 4.45 A)
 &rst
  ixpk= 3901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1380,1381,1382,
 igr2=1296,1297,
 &end
#
#   91 ILE  QD1          87 HIS  HB-         7.00    (#   3902:20  Unique         2.93, 4.45 A)
 &rst
  ixpk= 3902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1380,1381,1382,
 igr2=1296,1297,
 &end
#
#    0 AMB  20-2:3903    87 HIS  HB-         7.00    (#   3903:20  Single Ambig)
 &rst
  ixpk= 3903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 101, 102, 103,1361,1362,1363,
 igr2=1296,1297,
 &end
#
#    0 AMB  20-2:3904     0 AMB  20-1:3904   5.50    (#   3904:20  Double Ambig)
 &rst
  ixpk= 3904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1=1377,1378,1279,1280,1352,
 igr2=1296,1297,1296,1297,1296,1297,
 &end
#
#   87 HIS  HA           87 HIS  HB+         5.50    (#   3907:20  Unique         2.41, 2.76 A)
 &rst
  ixpk= 3907, nxpk= 20, iat=1294,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1296,1297,
 &end
#
#   87 HIS  HA           87 HIS  HB-         5.50    (#   3908:20  Unique         2.41, 2.76 A)
 &rst
  ixpk= 3908, nxpk= 20, iat=1294,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1296,1297,
 &end
#
#   88 LYS  HN           87 HIS  HB-         5.50    (#   3910:20  Unique         2.46, 3.14 A)
 &rst
  ixpk= 3910, nxpk= 20, iat=1309,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1296,1297,
 &end
#
#   87 HIS  HN           87 HIS  HB-         5.50    (#   3911:20  Unique         2.36, 3.05 A)
 &rst
  ixpk= 3911, nxpk= 20, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1296,1297,
 &end
#
#   88 LYS  HN           87 HIS  HB+         5.50    (#   3912:20  Unique         2.46, 3.14 A)
 &rst
  ixpk= 3912, nxpk= 20, iat=1309,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1296,1297,
 &end
#
#   87 HIS  HN           87 HIS  HB+         5.50    (#   3913:20  Unique         2.36, 3.05 A)
 &rst
  ixpk= 3913, nxpk= 20, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1296,1297,
 &end
#
#   84 THR  HN           87 HIS  HB+         5.50    (#   3914:20  Unique         2.10, 3.07 A)
 &rst
  ixpk= 3914, nxpk= 20, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1296,1297,
 &end
#
#   84 THR  HN           87 HIS  HB-         5.50    (#   3915:20  Unique         2.10, 3.07 A)
 &rst
  ixpk= 3915, nxpk= 20, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1296,1297,
 &end
#
#  139 ARG  HN          135 GLU  HG+         5.50    (#   3916:20  Unique         4.03, 4.75 A)
 &rst
  ixpk= 3916, nxpk= 20, iat=2133,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2072,2073,
 &end
#
#  137 LEU  HN          135 GLU  HG+         7.00    (#   3917:20  Unique         5.60, 6.06 A)
 &rst
  ixpk= 3917, nxpk= 20, iat=2095,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2072,2073,
 &end
#
#   75 GLU  HB-          71 GLU  HG+         5.50    (#   3918:20  Unique         3.90, 5.49 A)
 &rst
  ixpk= 3918, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1119,1120,
 igr2=1056,1057,
 &end
#
#   74 MET  HE           71 GLU  HG+         5.50    (#   3919:20  Unique         4.99, 6.62 A)
 &rst
  ixpk= 3919, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1109,1110,1111,
 igr2=1056,1057,
 &end
#
#   69 LEU  HG           71 GLU  HG+         7.00    (#   3921:20  Unique         7.09, 7.73 A)
 &rst
  ixpk= 3921, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1056,1057,
 &end
#
#   74 MET  HG-          71 GLU  HG-         5.50    (#   3922:20  Unique         2.86, 3.54 A)
 &rst
  ixpk= 3922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1105,1106,
 igr2=1056,1057,
 &end
#
#  124 ILE  QD1          57 GLU  HG-         5.50    (#   3926:20  Unique         3.66, 7.04 A)
 &rst
  ixpk= 3926, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1884,1885,1886,
 igr2= 838, 839,
 &end
#
#   58 LYS  HB-          57 GLU  HG-         7.00    (#   3928:20  Unique         5.09, 6.69 A)
 &rst
  ixpk= 3928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 850, 851,
 igr2= 838, 839,
 &end
#
#   57 GLU  HB-          57 GLU  HG-         3.00    (#   3930:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 3930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 835, 836,
 igr2= 838, 839,
 &end
#
#   57 GLU  HA           57 GLU  HG-         3.50    (#   3931:20  Unique         2.40, 2.87 A)
 &rst
  ixpk= 3931, nxpk= 20, iat= 833,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 838, 839,
 &end
#
#  104 THR  HN          107 GLU  HG-         5.50    (#   3933:20  Unique         3.45, 3.96 A)
 &rst
  ixpk= 3933, nxpk= 20, iat=1590,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1652,1653,
 &end
#
#    0 AMB  20-2:3934     0 AMB  20-1:3934   5.50    (#   3934:20  Double Ambig)
 &rst
  ixpk= 3934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1574,1575, 815, 816,
 igr2=1652,1653, 774, 775,
 &end
#
#    0 AMB  20-2:3935     0 AMB  20-1:3935   4.50    (#   3935:20  Double Ambig)
 &rst
  ixpk= 3935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1102,1103, 757, 758, 759,
 igr2=1122,1123, 774, 775,
 &end
#
#   35 ARG  HG-          35 ARG  HB-         4.50    (#   3936:20  Unique         2.19, 2.66 A)
 &rst
  ixpk= 3936, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 527, 528,
 igr2= 524, 525,
 &end
#
#   46 LYS  HN           46 LYS  HB-         5.50    (#   3938:20  Unique         2.66, 3.60 A)
 &rst
  ixpk= 3938, nxpk= 20, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 668, 669,
 &end
#
#   47 ALA  HN           46 LYS  HB-         5.50    (#   3939:20  Unique         2.18, 3.20 A)
 &rst
  ixpk= 3939, nxpk= 20, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 668, 669,
 &end
#
#   21 PHE  HD2          32 VAL  HB          7.00    (#   3941:20  Unique         4.37, 4.56 A)
 &rst
  ixpk= 3941, nxpk= 20, iat= 314, 478, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   21 PHE  QD           32 VAL  HB          5.50    (#   3942:20  Unique         4.37, 6.42 A)
 &rst
  ixpk= 3942, nxpk= 20, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 306, 314,
 &end
#
#  141 LEU  HN          140 GLN  HG-         5.50    (#   3943:20  Unique         4.51, 4.84 A)
 &rst
  ixpk= 3943, nxpk= 20, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2164,2165,
 &end
#
#  140 GLN  HE2-        140 GLN  HG-         5.50    (#   3944:20  Unique         2.33, 3.46 A)
 &rst
  ixpk= 3944, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2169,2170,
 igr2=2164,2165,
 &end
#
#   86 GLN  HE2-         86 GLN  HG+         5.50    (#   3946:20  Unique         2.24, 3.39 A)
 &rst
  ixpk= 3946, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1287,1288,
 igr2=1282,1283,
 &end
#
#   86 GLN  HE2+         86 GLN  HG+         5.50    (#   3947:20  Unique         2.24, 3.39 A)
 &rst
  ixpk= 3947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1287,1288,
 igr2=1282,1283,
 &end
#
#   90 ILE  HN            0 AMB  20-1:3948   5.50    (#   3948:20  Single Ambig)
 &rst
  ixpk= 3948, nxpk= 20, iat=1348,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1282,1283,1338,1339,
 &end
#
#    0 AMB  20-2:3949     0 AMB  20-1:3949   5.50    (#   3949:20  Double Ambig)
 &rst
  ixpk= 3949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1309,1396,
 igr2=1338,1339,1282,1283,
 &end
#
#   89 GLN  HE2+         89 GLN  HG-         5.50    (#   3950:20  Unique         2.30, 3.43 A)
 &rst
  ixpk= 3950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1343,1344,
 igr2=1338,1339,
 &end
#
#   86 GLN  HE2-         86 GLN  HG-         5.50    (#   3952:20  Unique         2.24, 3.39 A)
 &rst
  ixpk= 3952, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1287,1288,
 igr2=1282,1283,
 &end
#
#   87 HIS  HA           86 GLN  HG-         5.50    (#   3953:20  Unique         3.57, 4.55 A)
 &rst
  ixpk= 3953, nxpk= 20, iat=1294,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1282,1283,
 &end
#
#    0 AMB  20-2:3954    89 GLN  HG-         7.00    (#   3954:20  Single Ambig)
 &rst
  ixpk= 3954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1350,1388,
 igr2=1338,1339,
 &end
#
#    0 AMB  20-2:3955    89 GLN  HG-         5.50    (#   3955:20  Single Ambig)
 &rst
  ixpk= 3955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1313,1314,1390,1391,1392,
 igr2=1338,1339,
 &end
#
#   90 ILE  HG1+         86 GLN  HG-         5.50    (#   3956:20  Unique         2.99, 4.27 A)
 &rst
  ixpk= 3956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1358,1359,
 igr2=1282,1283,
 &end
#
#   88 LYS  QG           89 GLN  HG-         5.50    (#   3957:20  Unique         3.12, 5.37 A)
 &rst
  ixpk= 3957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1316,1317,
 igr2=1338,1339,
 &end
#
#   88 LYS  QD           89 GLN  HG-         5.50    (#   3960:20  Unique         3.70, 6.23 A)
 &rst
  ixpk= 3960, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1319,1320,
 igr2=1338,1339,
 &end
#
#   87 HIS  HD2          86 GLN  HG-         7.00    (#   3961:20  Unique         2.80, 6.46 A)
 &rst
  ixpk= 3961, nxpk= 20, iat=1305,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1282,1283,
 &end
#
#   86 GLN  HE2-         86 GLN  HG-         5.50    (#   3962:20  Unique         2.24, 3.39 A)
 &rst
  ixpk= 3962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1287,1288,
 igr2=1282,1283,
 &end
#
#   86 GLN  HE2+         86 GLN  HG-         5.50    (#   3963:20  Unique         2.24, 3.39 A)
 &rst
  ixpk= 3963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1287,1288,
 igr2=1282,1283,
 &end
#
#   86 GLN  HN            0 AMB  20-1:3964   5.50    (#   3964:20  Single Ambig)
 &rst
  ixpk= 3964, nxpk= 20, iat=1275,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=1282,1283,1338,1339,
 &end
#
#   95 PHE  HN           94 GLN  HG+         5.50    (#   3965:20  Unique         2.38, 2.81 A)
 &rst
  ixpk= 3965, nxpk= 20, iat=1424,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1414,1415,
 &end
#
#   95 PHE  HD2          94 GLN  HG+         7.00    (#   3966:20  Unique         2.89, 3.82 A)
 &rst
  ixpk= 3966, nxpk= 20, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1414,1415,
 &end
#
#   94 GLN  HE2-         94 GLN  HG+         5.50    (#   3967:20  Unique         2.21, 3.21 A)
 &rst
  ixpk= 3967, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1419,1420,
 igr2=1414,1415,
 &end
#
#   93 SER  HN           94 GLN  HG+         5.50    (#   3968:20  Unique         4.35, 4.89 A)
 &rst
  ixpk= 3968, nxpk= 20, iat=1396,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1414,1415,
 &end
#
#   94 GLN  HB-          94 GLN  HG+         3.00    (#   3969:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 3969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1411,1412,
 igr2=1414,1415,
 &end
#
#   69 LEU  HG           94 GLN  HG+         5.50    (#   3970:20  Unique         4.91, 5.36 A)
 &rst
  ixpk= 3970, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1414,1415,
 &end
#
#   39 VAL  MG2          94 GLN  HG+         5.50    (#   3971:20  Unique         4.56, 7.35 A)
 &rst
  ixpk= 3971, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 582, 583, 584,
 igr2=1414,1415,
 &end
#
#    0 AMB  20-2:3972     0 AMB  20-1:3972   5.50    (#   3972:20  Double Ambig)
 &rst
  ixpk= 3972, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1182,1520,
 igr2=1536,1537,1536,1537,
 &end
#
#    0 AMB  20-2:3973     0 AMB  20-1:3973   4.50    (#   3973:20  Double Ambig)
 &rst
  ixpk= 3973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1534,1165,
 igr2=1536,1537,1536,1537,
 &end
#
#  101 LYS  HE+         101 LYS  HB+         5.50    (#   3974:20  Unique         2.25, 3.93 A)
 &rst
  ixpk= 3974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1545,1546,
 igr2=1536,1537,
 &end
#
#  101 LYS  HE-         101 LYS  HB+         5.50    (#   3975:20  Unique         2.25, 3.93 A)
 &rst
  ixpk= 3975, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1545,1546,
 igr2=1536,1537,
 &end
#
#  101 LYS  HG-         101 LYS  HB+         5.50    (#   3976:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 3976, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1539,1540,
 igr2=1536,1537,
 &end
#
#   80 VAL  MG2         101 LYS  HB+         5.50    (#   3977:20  Unique         2.46, 4.57 A)
 &rst
  ixpk= 3977, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1192,1193,1194,
 igr2=1536,1537,
 &end
#
#  102 VAL  MG2         101 LYS  HB+         7.00    (#   3978:20  Unique         3.33, 5.77 A)
 &rst
  ixpk= 3978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1564,1565,1566,
 igr2=1536,1537,
 &end
#
#   80 VAL  MG2         101 LYS  HB-         5.50    (#   3979:20  Unique         2.46, 4.57 A)
 &rst
  ixpk= 3979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1192,1193,1194,
 igr2=1536,1537,
 &end
#
#  101 LYS  HE-         101 LYS  HB-         5.50    (#   3980:20  Unique         2.25, 3.93 A)
 &rst
  ixpk= 3980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1545,1546,
 igr2=1536,1537,
 &end
#
#  101 LYS  HE+         101 LYS  HB-         5.50    (#   3981:20  Unique         2.25, 3.93 A)
 &rst
  ixpk= 3981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1545,1546,
 igr2=1536,1537,
 &end
#
#    0 AMB  20-2:3982   101 LYS  HB-         4.50    (#   3982:20  Single Ambig)
 &rst
  ixpk= 3982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1534,1165,
 igr2=1536,1537,
 &end
#
#    0 AMB  20-2:3983   101 LYS  HB-         5.50    (#   3983:20  Single Ambig)
 &rst
  ixpk= 3983, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1182,1520,
 igr2=1536,1537,
 &end
#
#   66 SER  HN           65 VAL  HB          5.50    (#   3984:20  Unique         4.15, 4.28 A)
 &rst
  ixpk= 3984, nxpk= 20, iat= 980, 968, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:3985    65 VAL  HB          5.50    (#   3985:20  Single Ambig)
 &rst
  ixpk= 3985, nxpk= 20, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 645, 639,
 &end
#
#   39 VAL  MG2          94 GLN  HG-         5.50    (#   3986:20  Unique         4.56, 7.35 A)
 &rst
  ixpk= 3986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 582, 583, 584,
 igr2=1414,1415,
 &end
#
#   91 ILE  HA           94 GLN  HG-         5.50    (#   3987:20  Unique         2.10, 2.60 A)
 &rst
  ixpk= 3987, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1414,1415,
 &end
#
#   90 ILE  HA           94 GLN  HG-         5.50    (#   3988:20  Unique         4.72, 5.65 A)
 &rst
  ixpk= 3988, nxpk= 20, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1414,1415,
 &end
#
#   94 GLN  HE2-         94 GLN  HG-         5.50    (#   3989:20  Unique         2.21, 3.21 A)
 &rst
  ixpk= 3989, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1419,1420,
 igr2=1414,1415,
 &end
#
#   95 PHE  HD2          94 GLN  HG-         5.50    (#   3990:20  Unique         2.89, 3.82 A)
 &rst
  ixpk= 3990, nxpk= 20, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1414,1415,
 &end
#
#   95 PHE  QD           94 GLN  HG-         5.50    (#   3991:20  Unique         2.89, 4.23 A)
 &rst
  ixpk= 3991, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1432,1440,
 igr2=1414,1415,
 &end
#
#   95 PHE  HN           94 GLN  HG-         5.50    (#   3992:20  Unique         2.38, 2.81 A)
 &rst
  ixpk= 3992, nxpk= 20, iat=1424,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1414,1415,
 &end
#
#    0 AMB  20-2:3994     0 AMB  20-1:3994   5.50    (#   3994:20  Double Ambig)
 &rst
  ixpk= 3994, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1981,2193,
 igr2=1971,1972,2164,2165,
 &end
#
#    0 AMB  20-2:3995     0 AMB  20-1:3995   5.50    (#   3995:20  Double Ambig)
 &rst
  ixpk= 3995, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=2225,2031,
 igr2=2164,2165,1971,1972,
 &end
#
#  126 ILE  HN          129 GLN  HG+         5.50    (#   3996:20  Unique         4.74, 6.00 A)
 &rst
  ixpk= 3996, nxpk= 20, iat=1902,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1971,1972,
 &end
#
#  141 LEU  HA          140 GLN  HG+         7.00    (#   3997:20  Unique         6.40, 6.57 A)
 &rst
  ixpk= 3997, nxpk= 20, iat=2176,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2164,2165,
 &end
#
#  132 ASP  HB+         129 GLN  HG+         5.50    (#   3998:20  Unique         5.13, 6.16 A)
 &rst
  ixpk= 3998, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2023,2024,
 igr2=1971,1972,
 &end
#
#    0 AMB  20-2:3999     0 AMB  20-1:3999   5.50    (#   3999:20  Double Ambig)
 &rst
  ixpk= 3999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1949,1950,2210,2211,
 igr2=1971,1972,2164,2165,
 &end
#
#    0 AMB  20-2:4000     0 AMB  20-1:4000   5.50    (#   4000:20  Double Ambig)
 &rst
  ixpk= 4000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1952,1953,2213,2214,
 igr2=1971,1972,2164,2165,
 &end
#
#    0 AMB  20-2:4001     0 AMB  20-1:4001   3.00    (#   4001:20  Double Ambig)
 &rst
  ixpk= 4001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1968,1969,2161,2162,
 igr2=1971,1972,2164,2165,
 &end
#
#    3 ILE  QD1           1 MET  HB-         5.50    (#   4002:20  Unique         4.76, 6.45 A)
 &rst
  ixpk= 4002, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  46,  47,  48,
 igr2=   8,   9,
 &end
#
#  149 ARG  HB-           1 MET  HB-         5.50    (#   4003:20  Unique         3.84, 6.49 A)
 &rst
  ixpk= 4003, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2321,2322,
 igr2=   8,   9,
 &end
#
#    2 ASP  HN            1 MET  HB-         5.50    (#   4005:20  Unique         4.02, 4.28 A)
 &rst
  ixpk= 4005, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=   8,   9,
 &end
#
#    2 ASP  HN            1 MET  HB+         7.00    (#   4006:20  Unique         4.02, 4.28 A)
 &rst
  ixpk= 4006, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=   8,   9,
 &end
#
#    3 ILE  QD1           0 AMB  20-1:4007   5.50    (#   4007:20  Single Ambig)
 &rst
  ixpk= 4007, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  46,  47,  48,
 igr2= 508,   8,   9,
 &end
#
#    0 AMB  20-2:4008     0 AMB  20-1:4008   4.50    (#   4008:20  Double Ambig)
 &rst
  ixpk= 4008, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 325, 326,2246,2247,
 igr2= 508,   8,   9,
 &end
#
#    0 AMB  20-2:4010    34 VAL  HB          4.50    (#   4010:20  Single Ambig)
 &rst
  ixpk= 4010, nxpk= 20, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 325, 326, 527, 528, 524, 525, 328, 329,
 &end
#
#    1 MET  HA            1 MET  HB+         5.50    (#   4014:20  Unique         2.38, 2.76 A)
 &rst
  ixpk= 4014, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=   8,   9,
 &end
#
#   16 MET  HE1          16 MET  HB-         4.50    (#   4015:20  Unique         2.32, 3.43 A)
 &rst
  ixpk= 4015, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 238, 239, 240,
 igr2= 231, 232,
 &end
#
#    0 AMB  20-2:4016    16 MET  HB-         5.50    (#   4016:20  Single Ambig)
 &rst
  ixpk= 4016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 180,2005,2006,
 igr2= 231, 232,
 &end
#
#   16 MET  HA           16 MET  HB-         5.50    (#   4017:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 4017, nxpk= 20, iat= 229,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 231, 232,
 &end
#
#   16 MET  HN           16 MET  HB-         5.50    (#   4018:20  Unique         2.51, 3.09 A)
 &rst
  ixpk= 4018, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 231, 232,
 &end
#
#   17 ALA  HN           16 MET  HB-         5.50    (#   4019:20  Unique         2.39, 3.05 A)
 &rst
  ixpk= 4019, nxpk= 20, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 231, 232,
 &end
#
#    0 AMB  20-2:4020    16 MET  HB-         4.50    (#   4020:20  Single Ambig)
 &rst
  ixpk= 4020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=2055,2056,2057, 220, 221,
 igr2= 231, 232,
 &end
#
#   57 GLU  HN           56 PHE  HB-         5.50    (#   4021:20  Unique         2.72, 3.36 A)
 &rst
  ixpk= 4021, nxpk= 20, iat= 831,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 815, 816,
 &end
#
#    0 AMB  20-2:4022    56 PHE  HB-         5.50    (#   4022:20  Single Ambig)
 &rst
  ixpk= 4022, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 792, 868,
 igr2= 815, 816,
 &end
#
#   21 PHE  HD2          24 ILE  HB          5.50    (#   4023:20  Unique         5.14, 5.37 A)
 &rst
  ixpk= 4023, nxpk= 20, iat= 314, 355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98 TYR  HN           98 TYR  HB+         5.50    (#   4024:20  Unique         2.40, 3.03 A)
 &rst
  ixpk= 4024, nxpk= 20, iat=1475,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1479,1480,
 &end
#
#    0 AMB  20-2:4025     0 AMB  20-1:4025   5.50    (#   4025:20  Double Ambig)
 &rst
  ixpk= 4025, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1968,1969,2069,2070,2050,2051,
 igr2=2023,2024,2023,2024,2023,2024,
 &end
#
#    0 AMB  20-2:4026     0 AMB  20-1:4026   5.50    (#   4026:20  Double Ambig)
 &rst
  ixpk= 4026, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=2035,2036,1971,1972,
 igr2=2023,2024,2023,2024,
 &end
#
#    0 AMB  20-2:4028     0 AMB  20-1:4028   5.50    (#   4028:20  Double Ambig)
 &rst
  ixpk= 4028, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1912,1913,1503,1504,
 igr2=1894,1895,1524,1525,
 &end
#
#  101 LYS  HB-         100 ASP  HB-         5.50    (#   4029:20  Unique         3.97, 5.96 A)
 &rst
  ixpk= 4029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1536,1537,
 igr2=1524,1525,
 &end
#
#   99 ARG  HB-         100 ASP  HB-         5.50    (#   4030:20  Unique         4.81, 6.04 A)
 &rst
  ixpk= 4030, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1500,1501,
 igr2=1524,1525,
 &end
#
#    0 AMB  20-2:4031     0 AMB  20-1:4031   5.50    (#   4031:20  Double Ambig)
 &rst
  ixpk= 4031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1536,1537,1946,1947,1500,1501,
 igr2=1524,1525,1894,1895,
 &end
#
#  126 ILE  HB          125 ASP  HB+         5.50    (#   4032:20  Unique         5.16, 5.96 A)
 &rst
  ixpk= 4032, nxpk= 20, iat=1906,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1894,1895,
 &end
#
#    0 AMB  20-2:4033     0 AMB  20-1:4033   7.00    (#   4033:20  Double Ambig)
 &rst
  ixpk= 4033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1881,1882,1875,
 igr2=1894,1895,1894,1895,
 &end
#
#    0 AMB  20-2:4034     4 ILE  HB          4.50    (#   4034:20  Single Ambig)
 &rst
  ixpk= 4034, nxpk= 20, iat=  -1,  56, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1092,1093,1094,1020,1021,
 &end
#
#    0 AMB  20-2:4035     0 AMB  20-1:4035   4.50    (#   4035:20  Double Ambig)
 &rst
  ixpk= 4035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1=1611, 288, 289, 290, 898, 899, 900,
 igr2=2099,2100, 918, 919,
 &end
#
#    0 AMB  20-2:4036     0 AMB  20-1:4036   5.50    (#   4036:20  Double Ambig)
 &rst
  ixpk= 4036, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 889,1633,1634,2178,2179,
 igr2= 918, 919,2099,2100,
 &end
#
#    0 AMB  20-2:4037    62 LEU  HB-         5.50    (#   4037:20  Single Ambig)
 &rst
  ixpk= 4037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 745, 746, 747, 850, 851,
 igr2= 918, 919,
 &end
#
#   55 LEU  HB+          62 LEU  HB-         5.50    (#   4038:20  Unique         2.06, 2.91 A)
 &rst
  ixpk= 4038, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 796, 797,
 igr2= 918, 919,
 &end
#
#  134 LEU  HA          137 LEU  HB-         5.50    (#   4039:20  Unique         2.57, 3.14 A)
 &rst
  ixpk= 4039, nxpk= 20, iat=2048,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2099,2100,
 &end
#
#   61 ALA  HA           62 LEU  HB-         5.50    (#   4041:20  Unique         4.09, 4.54 A)
 &rst
  ixpk= 4041, nxpk= 20, iat= 906,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 918, 919,
 &end
#
#  137 LEU  HA          137 LEU  HB-         5.50    (#   4042:20  Unique         2.54, 2.81 A)
 &rst
  ixpk= 4042, nxpk= 20, iat=2097,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2099,2100,
 &end
#
#    6 VAL  HA           36 SER  HA          5.50    (#   4048:20  Unique         4.10, 4.45 A)
 &rst
  ixpk= 4048, nxpk= 20, iat=  93, 546, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104 THR  MG2          84 THR  HA          5.50    (#   4049:20  Unique         2.49, 2.95 A)
 &rst
  ixpk= 4049, nxpk= 20, iat=  -1,1246, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1596,1597,1598,
 &end
#
#  115 ASP  HB-          84 THR  HA          5.50    (#   4051:20  Unique         3.36, 4.60 A)
 &rst
  ixpk= 4051, nxpk= 20, iat=  -1,1246, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1757,1758,
 &end
#
#   84 THR  HB           84 THR  HA          5.50    (#   4053:20  Unique         2.34, 2.47 A)
 &rst
  ixpk= 4053, nxpk= 20, iat=1248,1246, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:4054    84 THR  HA          5.50    (#   4054:20  Single Ambig)
 &rst
  ixpk= 4054, nxpk= 20, iat=  -1,1246, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1309,1765,
 &end
#
#   84 THR  HN           84 THR  HA          5.50    (#   4055:20  Unique         2.86, 2.91 A)
 &rst
  ixpk= 4055, nxpk= 20, iat=1244,1246, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85 HIS  HN           84 THR  HA          5.50    (#   4056:20  Unique         2.29, 2.39 A)
 &rst
  ixpk= 4056, nxpk= 20, iat=1258,1246, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:4057     5 PHE  HA          5.50    (#   4057:20  Single Ambig)
 &rst
  ixpk= 4057, nxpk= 20, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  56,  37,
 &end
#
#   81 LEU  MD1           5 PHE  HA          5.50    (#   4059:20  Unique         4.88, 5.71 A)
 &rst
  ixpk= 4059, nxpk= 20, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1207,1208,1209,
 &end
#
#   84 THR  MG2         115 ASP  HA          5.50    (#   4060:20  Unique         4.53, 5.81 A)
 &rst
  ixpk= 4060, nxpk= 20, iat=  -1,1755, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1250,1251,1252,
 &end
#
#  105 LEU  HB+         115 ASP  HA          5.50    (#   4061:20  Unique         2.37, 3.62 A)
 &rst
  ixpk= 4061, nxpk= 20, iat=  -1,1755, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1608,1609,
 &end
#
#    0 AMB  20-2:4062    33 ASN  HA          7.00    (#   4062:20  Single Ambig)
 &rst
  ixpk= 4062, nxpk= 20, iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 331, 332, 530, 531,
 &end
#
#   32 VAL  MG1          33 ASN  HA          7.00    (#   4063:20  Unique         6.17, 6.34 A)
 &rst
  ixpk= 4063, nxpk= 20, iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 480, 481, 482,
 &end
#
#   32 VAL  MG2          33 ASN  HA          5.50    (#   4064:20  Unique         3.15, 4.44 A)
 &rst
  ixpk= 4064, nxpk= 20, iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 484, 485, 486,
 &end
#
#   34 VAL  MG2          33 ASN  HA          5.50    (#   4065:20  Unique         3.98, 5.21 A)
 &rst
  ixpk= 4065, nxpk= 20, iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 514, 515, 516,
 &end
#
#    2 ASP  HA           33 ASN  HA          5.50    (#   4067:20  Unique         4.50, 4.59 A)
 &rst
  ixpk= 4067, nxpk= 20, iat=  23, 492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 ASN  HN           33 ASN  HA          4.50    (#   4068:20  Unique         2.92, 2.93 A)
 &rst
  ixpk= 4068, nxpk= 20, iat= 490, 492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  139 ARG  HD+         139 ARG  HA          5.50    (#   4071:20  Unique         3.61, 4.42 A)
 &rst
  ixpk= 4071, nxpk= 20, iat=  -1,2135, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2143,2144,
 &end
#
#  142 ALA  HN          139 ARG  HA          5.50    (#   4072:20  Unique         3.27, 3.32 A)
 &rst
  ixpk= 4072, nxpk= 20, iat=2193,2135, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   89 GLN  HN           88 LYS  HA          5.50    (#   4073:20  Unique         3.55, 3.56 A)
 &rst
  ixpk= 4073, nxpk= 20, iat=1331,1311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91 ILE  QG2          88 LYS  HA          5.50    (#   4074:20  Unique         4.32, 4.92 A)
 &rst
  ixpk= 4074, nxpk= 20, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1373,1374,1375,
 &end
#
#   88 LYS  QD           88 LYS  HA          5.50    (#   4076:20  Unique         4.10, 4.54 A)
 &rst
  ixpk= 4076, nxpk= 20, iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1319,1320,
 &end
#
#   91 ILE  HB           88 LYS  HA          5.50    (#   4077:20  Unique         2.62, 2.68 A)
 &rst
  ixpk= 4077, nxpk= 20, iat=1371,1311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92 ALA  HN           88 LYS  HA          5.50    (#   4079:20  Unique         3.98, 4.06 A)
 &rst
  ixpk= 4079, nxpk= 20, iat=1386,1311, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 GLU  HG+          71 GLU  HA          5.50    (#   4083:20  Unique         2.45, 2.75 A)
 &rst
  ixpk= 4083, nxpk= 20, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1056,1057,
 &end
#
#   74 MET  HA           71 GLU  HA          5.50    (#   4084:20  Unique         4.99, 5.03 A)
 &rst
  ixpk= 4084, nxpk= 20, iat=1100,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 GLU  HN           71 GLU  HA          5.50    (#   4085:20  Unique         2.76, 2.78 A)
 &rst
  ixpk= 4085, nxpk= 20, iat=1049,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 GLU  HN           71 GLU  HA          5.50    (#   4086:20  Unique         3.93, 3.97 A)
 &rst
  ixpk= 4086, nxpk= 20, iat=1115,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:4087     0 AMB  20-1:4087   4.50    (#   4087:20  Double Ambig)
 &rst
  ixpk= 4087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=2210,2211,1949,1950,
 igr2=2159,1966,
 &end
#
#    0 AMB  20-2:4088     0 AMB  20-1:4088   3.50    (#   4088:20  Double Ambig)
 &rst
  ixpk= 4088, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=2210,2211,1949,1950,2140,2141,
 igr2=2159,1966,
 &end
#
#   81 LEU  HB-         105 LEU  HA          4.50    (#   4090:20  Unique         4.50, 5.20 A)
 &rst
  ixpk= 4090, nxpk= 20, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1202,1203,
 &end
#
#   39 VAL  MG2          87 HIS  HA          5.50    (#   4092:20  Unique         3.00, 4.15 A)
 &rst
  ixpk= 4092, nxpk= 20, iat=  -1,1294, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 582, 583, 584,
 &end
#
#    0 AMB  20-2:4093    87 HIS  HA          5.50    (#   4093:20  Single Ambig)
 &rst
  ixpk= 4093, nxpk= 20, iat=  -1,1294, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 124, 125, 126,1221,1222,1223,
 &end
#
#    0 AMB  20-2:4094   105 LEU  HA          5.50    (#   4094:20  Single Ambig)
 &rst
  ixpk= 4094, nxpk= 20, iat=  -1,1606, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1691,1692,1693,1775,1776,1777,
 &end
#
#   87 HIS  HB+          87 HIS  HA          5.50    (#   4095:20  Unique         2.41, 2.76 A)
 &rst
  ixpk= 4095, nxpk= 20, iat=  -1,1294, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1296,1297,
 &end
#
#   87 HIS  HB-          87 HIS  HA          5.50    (#   4096:20  Unique         2.41, 2.76 A)
 &rst
  ixpk= 4096, nxpk= 20, iat=  -1,1294, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1296,1297,
 &end
#
#    0 AMB  20-2:4097     0 AMB  20-1:4097   5.50    (#   4097:20  Double Ambig)
 &rst
  ixpk= 4097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1662,1350,
 igr2=1647,1294,
 &end
#
#   66 SER  HN           66 SER  HA          5.50    (#   4099:20  Unique         2.79, 2.82 A)
 &rst
  ixpk= 4099, nxpk= 20, iat= 980, 982, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 SER  HB+          66 SER  HA          5.50    (#   4100:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 4100, nxpk= 20, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 984, 985,
 &end
#
#   66 SER  HB-          66 SER  HA          4.50    (#   4101:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 4101, nxpk= 20, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 984, 985,
 &end
#
#   10 ASN  HB+          66 SER  HA          5.50    (#   4102:20  Unique         3.79, 4.27 A)
 &rst
  ixpk= 4102, nxpk= 20, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 143, 144,
 &end
#
#    0 AMB  20-2:4103    66 SER  HA          5.50    (#   4103:20  Single Ambig)
 &rst
  ixpk= 4103, nxpk= 20, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
 igr1= 612, 613, 614, 159, 160, 161, 220, 221, 559, 560,
       561,
 &end
#
#    0 AMB  20-2:4104     0 AMB  20-1:4104   5.50    (#   4104:20  Double Ambig)
 &rst
  ixpk= 4104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 510, 511, 512,1316,1317,1458,1459,
 igr2= 256,1498,
 &end
#
#    0 AMB  20-2:4105     0 AMB  20-1:4105   5.50    (#   4105:20  Double Ambig)
 &rst
  ixpk= 4105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2127,2128,2129,1188,1189,1190,
 igr2= 256,1498,
 &end
#
#   18 GLU  HB+          18 GLU  HA          5.50    (#   4106:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 4106, nxpk= 20, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 258, 259,
 &end
#
#    0 AMB  20-2:4108     0 AMB  20-1:4108   5.50    (#   4108:20  Double Ambig)
 &rst
  ixpk= 4108, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 318,1386,
 igr2= 256,1498,
 &end
#
#    0 AMB  20-2:4109   131 ARG  HA          5.50    (#   4109:20  Single Ambig)
 &rst
  ixpk= 4109, nxpk= 20, iat=  -1,1997, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2002,2003, 856, 857,
 &end
#
#  130 THR  MG2         131 ARG  HA          5.50    (#   4110:20  Unique         3.08, 4.19 A)
 &rst
  ixpk= 4110, nxpk= 20, iat=  -1,1997, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1987,1988,1989,
 &end
#
#  134 LEU  HB+         131 ARG  HA          5.50    (#   4111:20  Unique         2.08, 2.64 A)
 &rst
  ixpk= 4111, nxpk= 20, iat=  -1,1997, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2050,2051,
 &end
#
#  131 ARG  HB+         131 ARG  HA          5.50    (#   4112:20  Unique         2.27, 2.47 A)
 &rst
  ixpk= 4112, nxpk= 20, iat=  -1,1997, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1999,2000,
 &end
#
#  131 ARG  HB-         131 ARG  HA          5.50    (#   4114:20  Unique         2.27, 2.47 A)
 &rst
  ixpk= 4114, nxpk= 20, iat=  -1,1997, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1999,2000,
 &end
#
#    0 AMB  20-2:4115   131 ARG  HA          5.50    (#   4115:20  Single Ambig)
 &rst
  ixpk= 4115, nxpk= 20, iat=  -1,1997, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 786, 787, 788,1819,1820,
 &end
#
#    0 AMB  20-2:4118    80 VAL  HA          5.50    (#   4118:20  Single Ambig)
 &rst
  ixpk= 4118, nxpk= 20, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1170,1145,1146,1147,
 &end
#
#    0 AMB  20-2:4119    80 VAL  HA          5.50    (#   4119:20  Single Ambig)
 &rst
  ixpk= 4119, nxpk= 20, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1202,1203,1564,1565,1566,
 &end
#
#    0 AMB  20-2:4120    80 VAL  HA          5.50    (#   4120:20  Single Ambig)
 &rst
  ixpk= 4120, nxpk= 20, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  62,  63,1167,1168,
 &end
#
#    4 ILE  HB           80 VAL  HA          5.50    (#   4121:20  Unique         2.58, 2.72 A)
 &rst
  ixpk= 4121, nxpk= 20, iat=  56,1184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:4122    80 VAL  HA          5.50    (#   4122:20  Single Ambig)
 &rst
  ixpk= 4122, nxpk= 20, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1202,1203,1539,1540,
 &end
#
#   80 VAL  HB           80 VAL  HA          5.50    (#   4123:20  Unique         3.02, 3.04 A)
 &rst
  ixpk= 4123, nxpk= 20, iat=1186,1184, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 LYS  HN           85 HIS  HA          5.50    (#   4124:20  Unique         2.98, 3.06 A)
 &rst
  ixpk= 4124, nxpk= 20, iat=1309,1260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 PHE  HN           93 SER  HA          5.50    (#   4125:20  Unique         4.45, 4.57 A)
 &rst
  ixpk= 4125, nxpk= 20, iat=1424,1398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:4126    93 SER  HA          5.50    (#   4126:20  Single Ambig)
 &rst
  ixpk= 4126, nxpk= 20, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1451,1386,
 &end
#
#   93 SER  HB+          93 SER  HA          3.00    (#   4127:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 4127, nxpk= 20, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1400,1401,
 &end
#
#    0 AMB  20-2:4128    93 SER  HA          5.50    (#   4128:20  Single Ambig)
 &rst
  ixpk= 4128, nxpk= 20, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1388,1350,
 &end
#
#   92 ALA  MB           93 SER  HA          5.50    (#   4129:20  Unique         4.07, 4.83 A)
 &rst
  ixpk= 4129, nxpk= 20, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1390,1391,1392,
 &end
#
#    0 AMB  20-2:4130    93 SER  HA          7.00    (#   4130:20  Single Ambig)
 &rst
  ixpk= 4130, nxpk= 20, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1=1414,1415,1358,1359,1352,
 &end
#
#  106 LYS  HD+         106 LYS  HA          5.50    (#   4140:20  Unique         2.12, 2.72 A)
 &rst
  ixpk= 4140, nxpk= 20, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1633,1634,
 &end
#
#  106 LYS  HD-         106 LYS  HA          5.50    (#   4141:20  Unique         2.12, 2.72 A)
 &rst
  ixpk= 4141, nxpk= 20, iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1633,1634,
 &end
#
#    0 AMB  20-2:4142     0 AMB  20-1:4142   3.00    (#   4142:20  Double Ambig)
 &rst
  ixpk= 4142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1915,1916,1917, 898, 899, 900,
 igr2=1904, 344, 345,
 &end
#
#   27 ARG  HG+          23 SER  HB+         5.50    (#   4143:20  Unique         4.06, 5.85 A)
 &rst
  ixpk= 4143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 402, 403,
 igr2= 344, 345,
 &end
#
#    0 AMB  20-2:4144     0 AMB  20-1:4144   5.50    (#   4144:20  Double Ambig)
 &rst
  ixpk= 4144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1= 322, 323, 322, 323,1946,1947,
 igr2= 344, 345, 344, 345,1904,
 &end
#
#   60 ILE  HG1-         23 SER  HB+         4.50    (#   4145:20  Unique         2.70, 4.23 A)
 &rst
  ixpk= 4145, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 895, 896,
 igr2= 344, 345,
 &end
#
#  129 GLN  HG-         126 ILE  HA          5.50    (#   4146:20  Unique         2.85, 4.07 A)
 &rst
  ixpk= 4146, nxpk= 20, iat=  -1,1904, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1971,1972,
 &end
#
#  129 GLN  HG+         126 ILE  HA          5.50    (#   4147:20  Unique         2.85, 4.07 A)
 &rst
  ixpk= 4147, nxpk= 20, iat=  -1,1904, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1971,1972,
 &end
#
#   11 THR  HN           11 THR  HA          5.50    (#   4148:20  Unique         2.74, 2.75 A)
 &rst
  ixpk= 4148, nxpk= 20, iat= 153, 155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 THR  HB           11 THR  HA          5.50    (#   4149:20  Unique         2.53, 2.63 A)
 &rst
  ixpk= 4149, nxpk= 20, iat= 157, 155, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 SER  HA           11 THR  HA          7.00    (#   4150:20  Unique         6.67, 6.84 A)
 &rst
  ixpk= 4150, nxpk= 20, iat= 204, 155, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   15 PRO  HG-          11 THR  HA          5.50    (#   4151:20  Unique         2.22, 3.01 A)
 &rst
  ixpk= 4151, nxpk= 20, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 217, 218,
 &end
#
#  126 ILE  QD1         119 PRO  HA          5.50    (#   4152:20  Unique         5.20, 6.08 A)
 &rst
  ixpk= 4152, nxpk= 20, iat=  -1,1822, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1915,1916,1917,
 &end
#
#  117 LEU  HG          119 PRO  HA          5.50    (#   4155:20  Unique         3.94, 5.18 A)
 &rst
  ixpk= 4155, nxpk= 20, iat=1788,1822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  126 ILE  HB          119 PRO  HA          5.50    (#   4156:20  Unique         3.44, 3.70 A)
 &rst
  ixpk= 4156, nxpk= 20, iat=1906,1822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  126 ILE  HA          119 PRO  HA          5.50    (#   4157:20  Unique         5.03, 5.12 A)
 &rst
  ixpk= 4157, nxpk= 20, iat=1904,1822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  120 PHE  HN          119 PRO  HA          5.50    (#   4158:20  Unique         3.37, 3.44 A)
 &rst
  ixpk= 4158, nxpk= 20, iat=1826,1822, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:4159     0 AMB  20-1:4159   5.50    (#   4159:20  Double Ambig)
 &rst
  ixpk= 4159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1358,1359,1352,
 igr2=1400,1401,1400,1401,
 &end
#
#   91 ILE  HB           93 SER  HB+         7.00    (#   4160:20  Unique         6.75, 7.66 A)
 &rst
  ixpk= 4160, nxpk= 20, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1400,1401,
 &end
#
#   91 ILE  HA           93 SER  HB+         5.50    (#   4161:20  Unique         5.34, 6.21 A)
 &rst
  ixpk= 4161, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1400,1401,
 &end
#
#   90 ILE  HA           93 SER  HB+         3.50    (#   4162:20  Unique         2.44, 3.36 A)
 &rst
  ixpk= 4162, nxpk= 20, iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1400,1401,
 &end
#
#    0 AMB  20-2:4163     0 AMB  20-1:4163   5.50    (#   4163:20  Double Ambig)
 &rst
  ixpk= 4163, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1386,1451,
 igr2=1400,1401,1400,1401,
 &end
#
#   95 PHE  HN           93 SER  HB+         5.50    (#   4164:20  Unique         5.08, 5.53 A)
 &rst
  ixpk= 4164, nxpk= 20, iat=1424,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1400,1401,
 &end
#
#    0 AMB  20-2:4165   127 TYR  HA          5.50    (#   4165:20  Single Ambig)
 &rst
  ixpk= 4165, nxpk= 20, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1794,1795,1796,1884,1885,1886,
 &end
#
#    0 AMB  20-2:4166     0 AMB  20-1:4166   5.50    (#   4166:20  Double Ambig)
 &rst
  ixpk= 4166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1908,1909,1910,1145,1146,1147,
 igr2=1923,1134,1135,
 &end
#
#    0 AMB  20-2:4168   127 TYR  HA          5.50    (#   4168:20  Single Ambig)
 &rst
  ixpk= 4168, nxpk= 20, iat=  -1,1923, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1822,1892,
 &end
#
#   76 SER  HA           76 SER  HB+         3.50    (#   4169:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 4169, nxpk= 20, iat=1132,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1134,1135,
 &end
#
#   77 ALA  HN           76 SER  HB-         5.50    (#   4171:20  Unique         2.72, 3.32 A)
 &rst
  ixpk= 4171, nxpk= 20, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1134,1135,
 &end
#
#  130 THR  HN          127 TYR  HA          5.50    (#   4172:20  Unique         3.10, 3.31 A)
 &rst
  ixpk= 4172, nxpk= 20, iat=1981,1923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  131 ARG  HN          127 TYR  HA          5.50    (#   4173:20  Unique         3.76, 3.99 A)
 &rst
  ixpk= 4173, nxpk= 20, iat=1995,1923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:4174    39 VAL  HA          5.50    (#   4174:20  Single Ambig)
 &rst
  ixpk= 4174, nxpk= 20, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1023, 559, 560, 561, 612, 613, 614,
 &end
#
#   39 VAL  HN           39 VAL  HA          5.50    (#   4175:20  Unique         2.81, 2.86 A)
 &rst
  ixpk= 4175, nxpk= 20, iat= 572, 574, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 PHE  HN           39 VAL  HA          5.50    (#   4176:20  Unique         3.49, 3.54 A)
 &rst
  ixpk= 4176, nxpk= 20, iat= 588, 574, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  110 THR  HN          109 VAL  HA          5.50    (#   4177:20  Unique         3.55, 3.58 A)
 &rst
  ixpk= 4177, nxpk= 20, iat=1697,1683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 GLY  HN           42 SER  HB+         5.50    (#   4178:20  Unique         2.88, 4.58 A)
 &rst
  ixpk= 4178, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 622, 623,
 &end
#
#   10 ASN  HB-          66 SER  HB+         5.50    (#   4180:20  Unique         2.21, 3.56 A)
 &rst
  ixpk= 4180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 143, 144,
 igr2= 984, 985,
 &end
#
#   10 ASN  HB+          66 SER  HB+         5.50    (#   4181:20  Unique         2.21, 3.56 A)
 &rst
  ixpk= 4181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 143, 144,
 igr2= 984, 985,
 &end
#
#   11 THR  HA           66 SER  HB+         6.00    (#   4183:20  Unique         5.17, 5.71 A)
 &rst
  ixpk= 4183, nxpk= 20, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 984, 985,
 &end
#
#   66 SER  HA           66 SER  HB+         5.50    (#   4184:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 4184, nxpk= 20, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 984, 985,
 &end
#
#   45 GLY  HN           66 SER  HB+         7.00    (#   4185:20  Unique         2.42, 3.84 A)
 &rst
  ixpk= 4185, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 984, 985,
 &end
#
#   66 SER  HN           66 SER  HB+         5.50    (#   4186:20  Unique         2.30, 2.99 A)
 &rst
  ixpk= 4186, nxpk= 20, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 984, 985,
 &end
#
#   67 SER  HN           66 SER  HB+         5.50    (#   4187:20  Unique         2.38, 3.07 A)
 &rst
  ixpk= 4187, nxpk= 20, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 984, 985,
 &end
#
#   83 MET  HE           14 SER  HA          5.50    (#   4188:20  Unique         2.32, 3.52 A)
 &rst
  ixpk= 4188, nxpk= 20, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1238,1239,1240,
 &end
#
#    0 AMB  20-2:4189    14 SER  HA          5.50    (#   4189:20  Single Ambig)
 &rst
  ixpk= 4189, nxpk= 20, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 220, 221,1613,1614,1615,
 &end
#
#    5 PHE  HB+          14 SER  HA          5.50    (#   4191:20  Unique         2.37, 2.92 A)
 &rst
  ixpk= 4191, nxpk= 20, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  75,  76,
 &end
#
#   17 ALA  HN           14 SER  HA          5.50    (#   4192:20  Unique         3.21, 3.53 A)
 &rst
  ixpk= 4192, nxpk= 20, iat= 244, 204, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 PHE  QD           14 SER  HA          5.50    (#   4194:20  Unique         4.31, 4.90 A)
 &rst
  ixpk= 4194, nxpk= 20, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  79,  87,
 &end
#
#  123 SER  HN          123 SER  HB+         5.50    (#   4195:20  Unique         2.78, 3.17 A)
 &rst
  ixpk= 4195, nxpk= 20, iat=1860,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1864,1865,
 &end
#
#  125 ASP  HN          123 SER  HB+         5.50    (#   4196:20  Unique         2.67, 3.57 A)
 &rst
  ixpk= 4196, nxpk= 20, iat=1890,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1864,1865,
 &end
#
#  123 SER  HA          123 SER  HB+         4.50    (#   4197:20  Unique         2.38, 2.47 A)
 &rst
  ixpk= 4197, nxpk= 20, iat=1862,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1864,1865,
 &end
#
#  124 ILE  QG2         123 SER  HB+         5.50    (#   4200:20  Unique         3.09, 5.05 A)
 &rst
  ixpk= 4200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1877,1878,1879,
 igr2=1864,1865,
 &end
#
#  124 ILE  HN          123 SER  HB-         5.50    (#   4201:20  Unique         2.38, 3.08 A)
 &rst
  ixpk= 4201, nxpk= 20, iat=1871,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1864,1865,
 &end
#
#  125 ASP  HN          123 SER  HB-         5.50    (#   4202:20  Unique         2.67, 3.57 A)
 &rst
  ixpk= 4202, nxpk= 20, iat=1890,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1864,1865,
 &end
#
#  123 SER  HN          123 SER  HB-         5.50    (#   4203:20  Unique         2.78, 3.17 A)
 &rst
  ixpk= 4203, nxpk= 20, iat=1860,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1864,1865,
 &end
#
#  123 SER  HA          123 SER  HB-         4.50    (#   4204:20  Unique         2.38, 2.47 A)
 &rst
  ixpk= 4204, nxpk= 20, iat=1862,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1864,1865,
 &end
#
#  124 ILE  QG2         123 SER  HB-         5.50    (#   4207:20  Unique         3.09, 5.05 A)
 &rst
  ixpk= 4207, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1877,1878,1879,
 igr2=1864,1865,
 &end
#
#   15 PRO  HB+          15 PRO  HA          5.50    (#   4209:20  Unique         2.24, 2.51 A)
 &rst
  ixpk= 4209, nxpk= 20, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 220, 221,
 &end
#
#   15 PRO  HG+          15 PRO  HA          5.50    (#   4210:20  Unique         2.84, 3.84 A)
 &rst
  ixpk= 4210, nxpk= 20, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 217, 218,
 &end
#
#   15 PRO  HB-          15 PRO  HA          5.50    (#   4211:20  Unique         2.24, 2.51 A)
 &rst
  ixpk= 4211, nxpk= 20, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 220, 221,
 &end
#
#   15 PRO  HG-          15 PRO  HA          5.50    (#   4212:20  Unique         2.84, 3.84 A)
 &rst
  ixpk= 4212, nxpk= 20, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 217, 218,
 &end
#
#   18 GLU  HB-          15 PRO  HA          5.50    (#   4213:20  Unique         2.06, 2.77 A)
 &rst
  ixpk= 4213, nxpk= 20, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 258, 259,
 &end
#
#   18 GLU  HG-          15 PRO  HA          5.50    (#   4214:20  Unique         3.90, 4.57 A)
 &rst
  ixpk= 4214, nxpk= 20, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#   18 GLU  HB+          15 PRO  HA          5.50    (#   4215:20  Unique         2.06, 2.77 A)
 &rst
  ixpk= 4215, nxpk= 20, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 258, 259,
 &end
#
#   18 GLU  HA           15 PRO  HA          5.50    (#   4216:20  Unique         4.79, 5.00 A)
 &rst
  ixpk= 4216, nxpk= 20, iat= 256, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 SER  HA           15 PRO  HA          5.50    (#   4217:20  Unique         4.66, 4.73 A)
 &rst
  ixpk= 4217, nxpk= 20, iat= 204, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:4218    15 PRO  HA          7.00    (#   4218:20  Single Ambig)
 &rst
  ixpk= 4218, nxpk= 20, iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 227,  79,  87,
 &end
#
#   19 ALA  HN           15 PRO  HA          5.50    (#   4219:20  Unique         3.77, 3.84 A)
 &rst
  ixpk= 4219, nxpk= 20, iat= 269, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 GLU  HN           15 PRO  HA          5.50    (#   4220:20  Unique         2.95, 3.12 A)
 &rst
  ixpk= 4220, nxpk= 20, iat= 254, 223, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90 ILE  QG2          90 ILE  HA          3.50    (#   4221:20  Unique         2.53, 3.19 A)
 &rst
  ixpk= 4221, nxpk= 20, iat=  -1,1350, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1354,1355,1356,
 &end
#
#   90 ILE  HG1+         90 ILE  HA          4.50    (#   4222:20  Unique         2.65, 2.76 A)
 &rst
  ixpk= 4222, nxpk= 20, iat=  -1,1350, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1358,1359,
 &end
#
#    0 AMB  20-2:4223    90 ILE  HA          4.50    (#   4223:20  Single Ambig)
 &rst
  ixpk= 4223, nxpk= 20, iat=  -1,1350, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1358,1359,1352,
 &end
#
#    0 AMB  20-2:4224    90 ILE  HA          5.50    (#   4224:20  Single Ambig)
 &rst
  ixpk= 4224, nxpk= 20, iat=  -1,1350, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1335,1336,1414,1415,
 &end
#
#   93 SER  HN           90 ILE  HA          5.50    (#   4225:20  Unique         3.17, 3.23 A)
 &rst
  ixpk= 4225, nxpk= 20, iat=1396,1350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90 ILE  HN           90 ILE  HA          5.50    (#   4226:20  Unique         2.86, 2.87 A)
 &rst
  ixpk= 4226, nxpk= 20, iat=1348,1350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91 ILE  HN           90 ILE  HA          5.50    (#   4227:20  Unique         3.56, 3.57 A)
 &rst
  ixpk= 4227, nxpk= 20, iat=1367,1350, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  107 GLU  HA          112 SER  HB+         5.50    (#   4229:20  Unique         4.26, 5.17 A)
 &rst
  ixpk= 4229, nxpk= 20, iat=1647,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1722,1723,
 &end
#
#  110 THR  HB          112 SER  HB+         4.50    (#   4230:20  Unique         3.19, 4.92 A)
 &rst
  ixpk= 4230, nxpk= 20, iat=1701,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1722,1723,
 &end
#
#   66 SER  HA           66 SER  HB-         4.50    (#   4231:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 4231, nxpk= 20, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 984, 985,
 &end
#
#    0 AMB  20-2:4232     0 AMB  20-1:4232   4.50    (#   4232:20  Double Ambig)
 &rst
  ixpk= 4232, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1720, 557,
 igr2=1722,1723, 984, 985,
 &end
#
#  112 SER  HA          112 SER  HB-         2.80    (#   4233:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 4233, nxpk= 20, iat=1720,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1722,1723,
 &end
#
#  110 THR  HB          112 SER  HB-         5.50    (#   4234:20  Unique         3.19, 4.92 A)
 &rst
  ixpk= 4234, nxpk= 20, iat=1701,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1722,1723,
 &end
#
#    0 AMB  20-2:4237   112 SER  HB-         5.50    (#   4237:20  Single Ambig)
 &rst
  ixpk= 4237, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1630,1631,1703,1704,1705,
 igr2=1722,1723,
 &end
#
#  112 SER  HN          112 SER  HB+         4.50    (#   4238:20  Unique         2.52, 3.27 A)
 &rst
  ixpk= 4238, nxpk= 20, iat=1718,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1722,1723,
 &end
#
#   67 SER  HN           66 SER  HB-         5.50    (#   4239:20  Unique         2.38, 3.07 A)
 &rst
  ixpk= 4239, nxpk= 20, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 984, 985,
 &end
#
#   66 SER  HN           66 SER  HB-         5.50    (#   4240:20  Unique         2.30, 2.99 A)
 &rst
  ixpk= 4240, nxpk= 20, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 984, 985,
 &end
#
#    0 AMB  20-2:4241    90 ILE  HA          3.50    (#   4241:20  Single Ambig)
 &rst
  ixpk= 4241, nxpk= 20, iat=  -1,1350, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1358,1359,1352,
 &end
#
#    0 AMB  20-2:4242    90 ILE  HA          5.50    (#   4242:20  Single Ambig)
 &rst
  ixpk= 4242, nxpk= 20, iat=  -1,1350, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1335,1336,1414,1415,
 &end
#
#   73 LEU  MD2          67 SER  HB+         5.50    (#   4243:20  Unique         4.21, 5.53 A)
 &rst
  ixpk= 4243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1092,1093,1094,
 igr2= 995, 996,
 &end
#
#   73 LEU  MD2          67 SER  HB-         5.50    (#   4244:20  Unique         4.21, 5.53 A)
 &rst
  ixpk= 4244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1092,1093,1094,
 igr2= 995, 996,
 &end
#
#    0 AMB  20-2:4245     0 AMB  20-1:4245   5.50    (#   4245:20  Double Ambig)
 &rst
  ixpk= 4245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 559, 560, 561, 612, 613, 614,
 igr2= 995, 996, 995, 996,
 &end
#
#    0 AMB  20-2:4246    67 SER  HB-         5.50    (#   4246:20  Single Ambig)
 &rst
  ixpk= 4246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 559, 560, 561, 612, 613, 614,
 igr2= 995, 996,
 &end
#
#    0 AMB  20-2:4247     0 AMB  20-1:4247   5.50    (#   4247:20  Double Ambig)
 &rst
  ixpk= 4247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 633, 634,1006,1007,
 igr2= 995, 996, 995, 996,
 &end
#
#    0 AMB  20-2:4248    67 SER  HB-         5.50    (#   4248:20  Single Ambig)
 &rst
  ixpk= 4248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 633, 634,1006,1007,
 igr2= 995, 996,
 &end
#
#   66 SER  HA           67 SER  HB+         5.50    (#   4252:20  Unique         4.27, 5.04 A)
 &rst
  ixpk= 4252, nxpk= 20, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 995, 996,
 &end
#
#    0 AMB  20-2:4253    67 SER  HB-         5.50    (#   4253:20  Single Ambig)
 &rst
  ixpk= 4253, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 639, 982,
 igr2= 995, 996,
 &end
#
#   37 ALA  HA           67 SER  HB+         5.50    (#   4254:20  Unique         3.54, 4.70 A)
 &rst
  ixpk= 4254, nxpk= 20, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 995, 996,
 &end
#
#   37 ALA  HA           67 SER  HB-         5.50    (#   4255:20  Unique         3.54, 4.70 A)
 &rst
  ixpk= 4255, nxpk= 20, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 995, 996,
 &end
#
#   67 SER  HA           67 SER  HB+         5.50    (#   4256:20  Unique         2.48, 2.80 A)
 &rst
  ixpk= 4256, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 995, 996,
 &end
#
#   67 SER  HA           67 SER  HB-         5.50    (#   4257:20  Unique         2.48, 2.80 A)
 &rst
  ixpk= 4257, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 995, 996,
 &end
#
#    0 AMB  20-2:4258     0 AMB  20-1:4258   5.50    (#   4258:20  Double Ambig)
 &rst
  ixpk= 4258, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 565, 544, 555,
 igr2= 995, 996, 995, 996, 995, 996,
 &end
#
#    0 AMB  20-2:4259    67 SER  HB-         7.00    (#   4259:20  Single Ambig)
 &rst
  ixpk= 4259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 565, 544, 555,
 igr2= 995, 996,
 &end
#
#   67 SER  HN           67 SER  HB+         5.50    (#   4260:20  Unique         2.76, 3.40 A)
 &rst
  ixpk= 4260, nxpk= 20, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 995, 996,
 &end
#
#   67 SER  HN           67 SER  HB-         5.50    (#   4261:20  Unique         2.76, 3.40 A)
 &rst
  ixpk= 4261, nxpk= 20, iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 995, 996,
 &end
#
#   39 VAL  HN            8 THR  HA          3.00    (#   4267:20  Unique         2.33, 2.83 A)
 &rst
  ixpk= 4267, nxpk= 20, iat= 572, 120, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    0 AMB  20-2:4268     8 THR  HA          4.50    (#   4268:20  Single Ambig)
 &rst
  ixpk= 4268, nxpk= 20, iat=  -1, 120, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 588, 139,
 &end
#
#   39 VAL  MG1           8 THR  HA          5.50    (#   4270:20  Unique         4.43, 5.28 A)
 &rst
  ixpk= 4270, nxpk= 20, iat=  -1, 120, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 578, 579, 580,
 &end
#
#    8 THR  MG2           8 THR  HA          2.80    (#   4271:20  Unique         2.34, 2.92 A)
 &rst
  ixpk= 4271, nxpk= 20, iat=  -1, 120, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 124, 125, 126,
 &end
#
#    0 AMB  20-2:4272     0 AMB  20-1:4272   5.50    (#   4272:20  Double Ambig)
 &rst
  ixpk= 4272, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 690, 691, 692,1411,1412,
 igr2= 753,1369,
 &end
#
#   52 VAL  MG2          52 VAL  HA          3.50    (#   4273:20  Unique         2.41, 2.93 A)
 &rst
  ixpk= 4273, nxpk= 20, iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 761, 762, 763,
 &end
#
#   39 VAL  MG1          91 ILE  HA          5.50    (#   4274:20  Unique         3.23, 4.48 A)
 &rst
  ixpk= 4274, nxpk= 20, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 578, 579, 580,
 &end
#
#   91 ILE  HB           91 ILE  HA          5.50    (#   4275:20  Unique         3.04, 3.04 A)
 &rst
  ixpk= 4275, nxpk= 20, iat=1371,1369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:4277     0 AMB  20-1:4277   5.50    (#   4277:20  Double Ambig)
 &rst
  ixpk= 4277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1432,1440, 724,
 igr2=1369, 753,
 &end
#
#   94 GLN  HN           91 ILE  HA          5.50    (#   4278:20  Unique         3.50, 3.52 A)
 &rst
  ixpk= 4278, nxpk= 20, iat=1407,1369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 PHE  HN           91 ILE  HA          5.50    (#   4279:20  Unique         4.00, 4.05 A)
 &rst
  ixpk= 4279, nxpk= 20, iat=1424,1369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91 ILE  HN           91 ILE  HA          5.50    (#   4280:20  Unique         2.84, 2.85 A)
 &rst
  ixpk= 4280, nxpk= 20, iat=1367,1369, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:4281     0 AMB  20-1:4281   6.00    (#   4281:20  Double Ambig)
 &rst
  ixpk= 4281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1440, 846,
 igr2=1369, 753,
 &end
#
#   51 ALA  HN           52 VAL  HA          7.00    (#   4282:20  Unique         5.22, 5.23 A)
 &rst
  ixpk= 4282, nxpk= 20, iat= 741, 753, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   27 ARG  HN           24 ILE  HA          5.50    (#   4283:20  Unique         3.05, 3.15 A)
 &rst
  ixpk= 4283, nxpk= 20, iat= 395, 353, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  149 ARG  HD+           1 MET  HE          5.50    (#   4284:20  Unique         2.46, 5.69 A)
 &rst
  ixpk= 4284, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2327,2328,
 igr2=  15,  16,  17,
 &end
#
#   79 LEU  HA            1 MET  HE          5.50    (#   4286:20  Unique         4.51, 5.59 A)
 &rst
  ixpk= 4286, nxpk= 20, iat=1165,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  15,  16,  17,
 &end
#
#  108 TYR  QE            1 MET  HE          5.50    (#   4287:20  Unique         4.35, 5.81 A)
 &rst
  ixpk= 4287, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1670,1675,
 igr2=  15,  16,  17,
 &end
#
#    0 AMB  20-2:4292     1 MET  HE          5.50    (#   4292:20  Single Ambig)
 &rst
  ixpk= 4292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2341,2317,
 igr2=  15,  16,  17,
 &end
#
#   80 VAL  HN            1 MET  HE          7.00    (#   4294:20  Unique         6.18, 7.08 A)
 &rst
  ixpk= 4294, nxpk= 20, iat=1182,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  15,  16,  17,
 &end
#
#    3 ILE  HN            1 MET  HE          5.50    (#   4295:20  Unique         5.32, 6.65 A)
 &rst
  ixpk= 4295, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  15,  16,  17,
 &end
#
#   78 ASP  HN            1 MET  HE          7.00    (#   4296:20  Unique         5.23, 6.64 A)
 &rst
  ixpk= 4296, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  15,  16,  17,
 &end
#
#    2 ASP  HA            1 MET  HE          7.00    (#   4297:20  Unique         5.34, 6.67 A)
 &rst
  ixpk= 4297, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  15,  16,  17,
 &end
#
#   79 LEU  MD1           1 MET  HE          3.50    (#   4298:20  Unique         2.72, 4.90 A)
 &rst
  ixpk= 4298, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1172,1173,1174,
 igr2=  15,  16,  17,
 &end
#
#  131 ARG  HN           54 ALA  MB          5.50    (#   4300:20  Unique         4.46, 5.46 A)
 &rst
  ixpk= 4300, nxpk= 20, iat=1995,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 786, 787, 788,
 &end
#
#   94 GLN  HE2-         90 ILE  QG2         5.50    (#   4301:20  Unique         5.47, 6.72 A)
 &rst
  ixpk= 4301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1419,1420,
 igr2=1354,1355,1356,
 &end
#
#    0 AMB  20-2:4302     0 AMB  20-1:4302   5.50    (#   4302:20  Double Ambig)
 &rst
  ixpk= 4302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1396, 434,1309,
 igr2=1354,1355,1356, 357, 358, 359,
 &end
#
#   94 GLN  HN           90 ILE  QG2         5.50    (#   4303:20  Unique         4.25, 5.01 A)
 &rst
  ixpk= 4303, nxpk= 20, iat=1407,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1354,1355,1356,
 &end
#
#   22 LYS  HN           25 ALA  MB          5.50    (#   4304:20  Unique         5.11, 5.79 A)
 &rst
  ixpk= 4304, nxpk= 20, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 374, 375, 376,
 &end
#
#    0 AMB  20-2:4305    24 ILE  QG2         5.50    (#   4305:20  Single Ambig)
 &rst
  ixpk= 4305, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 395, 380,
 igr2= 357, 358, 359,
 &end
#
#    0 AMB  20-2:4306    24 ILE  QG2         5.50    (#   4306:20  Single Ambig)
 &rst
  ixpk= 4306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2274,2275, 302, 303,
 igr2= 357, 358, 359,
 &end
#
#   91 ILE  HN           90 ILE  QD1         5.50    (#   4307:20  Unique         4.88, 5.62 A)
 &rst
  ixpk= 4307, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1361,1362,1363,
 &end
#
#   87 HIS  HN           90 ILE  QD1         5.50    (#   4308:20  Unique         4.36, 5.34 A)
 &rst
  ixpk= 4308, nxpk= 20, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1361,1362,1363,
 &end
#
#    4 ILE  HN            3 ILE  QD1         5.50    (#   4309:20  Unique         5.81, 6.41 A)
 &rst
  ixpk= 4309, nxpk= 20, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  46,  47,  48,
 &end
#
#  108 TYR  QE            3 ILE  QD1         5.50    (#   4310:20  Unique         4.40, 6.91 A)
 &rst
  ixpk= 4310, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1670,1675,
 igr2=  46,  47,  48,
 &end
#
#    2 ASP  HA            3 ILE  QD1         5.50    (#   4311:20  Unique         5.35, 5.86 A)
 &rst
  ixpk= 4311, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  46,  47,  48,
 &end
#
#    0 AMB  20-2:4312     3 ILE  QD1         5.50    (#   4312:20  Single Ambig)
 &rst
  ixpk= 4312, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 506, 492,
 igr2=  46,  47,  48,
 &end
#
#    2 ASP  HN            3 ILE  QD1         7.00    (#   4313:20  Unique         5.44, 6.30 A)
 &rst
  ixpk= 4313, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  46,  47,  48,
 &end
#
#   78 ASP  HN            3 ILE  QD1         7.00    (#   4314:20  Unique         7.46, 7.80 A)
 &rst
  ixpk= 4314, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  46,  47,  48,
 &end
#
#  145 LEU  HA            3 ILE  QD1         7.00    (#   4315:20  Unique         5.77, 7.32 A)
 &rst
  ixpk= 4315, nxpk= 20, iat=2244,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  46,  47,  48,
 &end
#
#  142 ALA  HA            3 ILE  QD1         6.50    (#   4316:20  Unique         6.30, 6.69 A)
 &rst
  ixpk= 4316, nxpk= 20, iat=2195,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=  46,  47,  48,
 &end
#
#    1 MET  HB-           3 ILE  QD1         5.50    (#   4318:20  Unique         4.76, 6.45 A)
 &rst
  ixpk= 4318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=   8,   9,
 igr2=  46,  47,  48,
 &end
#
#    0 AMB  20-2:4320   124 ILE  QD1         5.50    (#   4320:20  Single Ambig)
 &rst
  ixpk= 4320, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 769,1864,1865,
 igr2=1884,1885,1886,
 &end
#
#   35 ARG  HB+           4 ILE  QD1         5.50    (#   4322:20  Unique         4.52, 5.80 A)
 &rst
  ixpk= 4322, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 524, 525,
 igr2=  65,  66,  67,
 &end
#
#   35 ARG  HD-           4 ILE  QD1         5.50    (#   4323:20  Unique         3.15, 6.03 A)
 &rst
  ixpk= 4323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 530, 531,
 igr2=  65,  66,  67,
 &end
#
#   35 ARG  HD+           4 ILE  QD1         5.50    (#   4324:20  Unique         3.15, 6.03 A)
 &rst
  ixpk= 4324, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 530, 531,
 igr2=  65,  66,  67,
 &end
#
#    0 AMB  20-2:4325     4 ILE  QD1         5.50    (#   4325:20  Single Ambig)
 &rst
  ixpk= 4325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1018,1143,
 igr2=  65,  66,  67,
 &end
#
#   87 HIS  HB+          91 ILE  QD1         5.50    (#   4326:20  Unique         2.93, 4.45 A)
 &rst
  ixpk= 4326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1296,1297,
 igr2=1380,1381,1382,
 &end
#
#    0 AMB  20-2:4327    91 ILE  QD1         5.50    (#   4327:20  Single Ambig)
 &rst
  ixpk= 4327, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1388,1350,
 igr2=1380,1381,1382,
 &end
#
#   82 ALA  HA           91 ILE  QD1         5.50    (#   4328:20  Unique         3.59, 4.50 A)
 &rst
  ixpk= 4328, nxpk= 20, iat=1219,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1380,1381,1382,
 &end
#
#   80 VAL  HA            4 ILE  QD1         5.50    (#   4329:20  Unique         4.06, 5.05 A)
 &rst
  ixpk= 4329, nxpk= 20, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  65,  66,  67,
 &end
#
#   35 ARG  HA            4 ILE  QD1         7.00    (#   4330:20  Unique         7.35, 8.00 A)
 &rst
  ixpk= 4330, nxpk= 20, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  65,  66,  67,
 &end
#
#   70 THR  HN            4 ILE  QD1         5.50    (#   4331:20  Unique         5.14, 6.10 A)
 &rst
  ixpk= 4331, nxpk= 20, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  65,  66,  67,
 &end
#
#   77 ALA  HN            4 ILE  QD1         5.50    (#   4332:20  Unique         3.30, 4.29 A)
 &rst
  ixpk= 4332, nxpk= 20, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  65,  66,  67,
 &end
#
#   76 SER  HN            4 ILE  QD1         5.50    (#   4333:20  Unique         4.90, 5.90 A)
 &rst
  ixpk= 4333, nxpk= 20, iat=1130,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  65,  66,  67,
 &end
#
#    0 AMB  20-2:4334     4 ILE  QD1         5.50    (#   4334:20  Single Ambig)
 &rst
  ixpk= 4334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1098,1079,
 igr2=  65,  66,  67,
 &end
#
#    4 ILE  HN            4 ILE  QD1         5.50    (#   4335:20  Unique         3.92, 4.69 A)
 &rst
  ixpk= 4335, nxpk= 20, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  65,  66,  67,
 &end
#
#   35 ARG  HN            4 ILE  QD1         7.00    (#   4336:20  Unique         6.03, 6.75 A)
 &rst
  ixpk= 4336, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  65,  66,  67,
 &end
#
#    0 AMB  20-2:4337     4 ILE  QD1         5.50    (#   4337:20  Single Ambig)
 &rst
  ixpk= 4337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 555, 544,
 igr2=  65,  66,  67,
 &end
#
#   78 ASP  HN            4 ILE  QD1         7.00    (#   4338:20  Unique         5.30, 6.00 A)
 &rst
  ixpk= 4338, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=  65,  66,  67,
 &end
#
#    0 AMB  20-2:4339    91 ILE  QD1         5.50    (#   4339:20  Single Ambig)
 &rst
  ixpk= 4339, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1198,1182,
 igr2=1380,1381,1382,
 &end
#
#    0 AMB  20-2:4340    91 ILE  QD1         5.50    (#   4340:20  Single Ambig)
 &rst
  ixpk= 4340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 572,1348,
 igr2=1380,1381,1382,
 &end
#
#   88 LYS  HN           91 ILE  QD1         5.50    (#   4341:20  Unique         3.98, 5.10 A)
 &rst
  ixpk= 4341, nxpk= 20, iat=1309,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1380,1381,1382,
 &end
#
#   95 PHE  QD           91 ILE  QD1         5.50    (#   4342:20  Unique         5.35, 7.86 A)
 &rst
  ixpk= 4342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1432,1440,
 igr2=1380,1381,1382,
 &end
#
#    6 VAL  HA           91 ILE  QD1         7.00    (#   4344:20  Unique         5.39, 6.48 A)
 &rst
  ixpk= 4344, nxpk= 20, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1380,1381,1382,
 &end
#
#   89 GLN  HA           91 ILE  QD1         7.00    (#   4345:20  Unique         6.37, 7.51 A)
 &rst
  ixpk= 4345, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1380,1381,1382,
 &end
#
#   87 HIS  HA           91 ILE  QD1         5.50    (#   4346:20  Unique         4.58, 5.30 A)
 &rst
  ixpk= 4346, nxpk= 20, iat=1294,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1380,1381,1382,
 &end
#
#   94 GLN  HG+          91 ILE  QD1         5.50    (#   4347:20  Unique         6.59, 7.03 A)
 &rst
  ixpk= 4347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1414,1415,
 igr2=1380,1381,1382,
 &end
#
#   99 ARG  HN           92 ALA  MB          5.50    (#   4349:20  Unique         3.56, 4.95 A)
 &rst
  ixpk= 4349, nxpk= 20, iat=1496,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1390,1391,1392,
 &end
#
#   94 GLN  HN           92 ALA  MB          5.50    (#   4350:20  Unique         4.99, 5.60 A)
 &rst
  ixpk= 4350, nxpk= 20, iat=1407,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1390,1391,1392,
 &end
#
#    0 AMB  20-2:4351    92 ALA  MB          5.50    (#   4351:20  Single Ambig)
 &rst
  ixpk= 4351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1348,1444,
 igr2=1390,1391,1392,
 &end
#
#   62 LEU  HN           60 ILE  QG2         5.50    (#   4353:20  Unique         3.80, 5.17 A)
 &rst
  ixpk= 4353, nxpk= 20, iat= 914,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 891, 892, 893,
 &end
#
#   25 ALA  HN           24 ILE  QD1         5.50    (#   4354:20  Unique         5.23, 5.99 A)
 &rst
  ixpk= 4354, nxpk= 20, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 364, 365, 366,
 &end
#
#   20 LEU  HN           24 ILE  QD1         7.00    (#   4355:20  Unique         5.81, 7.28 A)
 &rst
  ixpk= 4355, nxpk= 20, iat= 279,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 364, 365, 366,
 &end
#
#  142 ALA  HN           24 ILE  QD1         7.00    (#   4356:20  Unique         4.78, 5.82 A)
 &rst
  ixpk= 4356, nxpk= 20, iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 364, 365, 366,
 &end
#
#   21 PHE  QE           24 ILE  QD1         5.50    (#   4357:20  Unique         4.70, 7.01 A)
 &rst
  ixpk= 4357, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 308, 312,
 igr2= 364, 365, 366,
 &end
#
#   23 SER  HN           24 ILE  QD1         7.00    (#   4358:20  Unique         5.66, 6.78 A)
 &rst
  ixpk= 4358, nxpk= 20, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 364, 365, 366,
 &end
#
#  135 GLU  HN           24 ILE  QD1         7.00    (#   4359:20  Unique         5.69, 6.51 A)
 &rst
  ixpk= 4359, nxpk= 20, iat=2065,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 364, 365, 366,
 &end
#
#    4 ILE  HN           79 LEU  HB+         5.50    (#   4360:20  Unique         3.80, 4.66 A)
 &rst
  ixpk= 4360, nxpk= 20, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1167,1168,
 &end
#
#   79 LEU  HA           79 LEU  HB+         4.50    (#   4362:20  Unique         2.54, 2.82 A)
 &rst
  ixpk= 4362, nxpk= 20, iat=1165,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1167,1168,
 &end
#
#    0 AMB  20-2:4363     0 AMB  20-1:4363   5.50    (#   4363:20  Double Ambig)
 &rst
  ixpk= 4363, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=  11,  12,1574,1575,
 igr2=1167,1168,1167,1168,
 &end
#
#   78 ASP  HB+          79 LEU  HB+         5.50    (#   4364:20  Unique         3.75, 5.08 A)
 &rst
  ixpk= 4364, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1155,1156,
 igr2=1167,1168,
 &end
#
#   78 ASP  HB-          79 LEU  HB+         5.50    (#   4365:20  Unique         3.75, 5.08 A)
 &rst
  ixpk= 4365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1155,1156,
 igr2=1167,1168,
 &end
#
#    0 AMB  20-2:4367   130 THR  HB          5.50    (#   4367:20  Single Ambig)
 &rst
  ixpk= 4367, nxpk= 20, iat=  -1,1985, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 238, 239, 240,1968,1969,
 &end
#
#  133 GLU  HB+         130 THR  HA          5.50    (#   4368:20  Unique         3.06, 3.64 A)
 &rst
  ixpk= 4368, nxpk= 20, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2035,2036,
 &end
#
#  130 THR  MG2         130 THR  HB          5.50    (#   4369:20  Unique         2.36, 2.64 A)
 &rst
  ixpk= 4369, nxpk= 20, iat=  -1,1985, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1987,1988,1989,
 &end
#
#  130 THR  HN          130 THR  HB          5.50    (#   4370:20  Unique         2.24, 2.35 A)
 &rst
  ixpk= 4370, nxpk= 20, iat=1981,1985, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  131 ARG  HN          130 THR  HB          5.50    (#   4371:20  Unique         2.56, 2.86 A)
 &rst
  ixpk= 4371, nxpk= 20, iat=1995,1985, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:4372     0 AMB  20-1:4372   5.50    (#   4372:20  Double Ambig)
 &rst
  ixpk= 4372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 402, 403,1627,1628,
 igr2= 353,1722,1723,
 &end
#
#   24 ILE  HG1-         24 ILE  HA          4.50    (#   4373:20  Unique         2.35, 2.60 A)
 &rst
  ixpk= 4373, nxpk= 20, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 361, 362,
 &end
#
#   41 ALA  MB           66 SER  HB-         4.50    (#   4374:20  Unique         2.18, 3.85 A)
 &rst
  ixpk= 4374, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 612, 613, 614,
 igr2= 984, 985,
 &end
#
#  106 LYS  HB+         112 SER  HB+         5.50    (#   4375:20  Unique         2.45, 4.68 A)
 &rst
  ixpk= 4375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1627,1628,
 igr2=1722,1723,
 &end
#
#   47 ALA  MB           64 HIS  HB-         5.50    (#   4378:20  Unique         2.69, 4.65 A)
 &rst
  ixpk= 4378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 690, 691, 692,
 igr2= 951, 952,
 &end
#
#   47 ALA  MB           64 HIS  HB+         5.50    (#   4379:20  Unique         2.69, 4.65 A)
 &rst
  ixpk= 4379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 690, 691, 692,
 igr2= 951, 952,
 &end
#
#    0 AMB  20-2:4380    64 HIS  HB-         5.50    (#   4380:20  Single Ambig)
 &rst
  ixpk= 4380, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 927, 928, 929, 220, 221,
 igr2= 951, 952,
 &end
#
#    0 AMB  20-2:4381     0 AMB  20-1:4381   5.50    (#   4381:20  Double Ambig)
 &rst
  ixpk= 4381, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 927, 928, 929, 220, 221,
 igr2= 951, 952, 951, 952,
 &end
#
#   62 LEU  QD1          64 HIS  HB+         5.50    (#   4382:20  Unique         4.66, 5.58 A)
 &rst
  ixpk= 4382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 923, 924, 925,
 igr2= 951, 952,
 &end
#
#  131 ARG  HB+          16 MET  HB+         5.50    (#   4384:20  Unique         4.63, 5.79 A)
 &rst
  ixpk= 4384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1999,2000,
 igr2= 231, 232,
 &end
#
#   16 MET  HE1          16 MET  HB+         3.50    (#   4385:20  Unique         2.32, 3.43 A)
 &rst
  ixpk= 4385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 238, 239, 240,
 igr2= 231, 232,
 &end
#
#   83 MET  HG+          83 MET  HB+         5.50    (#   4389:20  Unique         2.31, 2.63 A)
 &rst
  ixpk= 4389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1234,1235,
 igr2=1231,1232,
 &end
#
#    0 AMB  20-2:4390     0 AMB  20-1:4390   5.50    (#   4390:20  Double Ambig)
 &rst
  ixpk= 4390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1227,1244,
 igr2=1231,1232,1231,1232,
 &end
#
#  107 GLU  HB-         107 GLU  HG+         5.50    (#   4394:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 4394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1649,1650,
 igr2=1652,1653,
 &end
#
#  104 THR  MG2         107 GLU  HG+         5.50    (#   4395:20  Unique         6.52, 7.04 A)
 &rst
  ixpk= 4395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1596,1597,1598,
 igr2=1652,1653,
 &end
#
#   32 VAL  MG1          30 LEU  HB+         5.50    (#   4397:20  Unique         2.66, 4.62 A)
 &rst
  ixpk= 4397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 480, 481, 482,
 igr2= 445, 446,
 &end
#
#   32 VAL  MG1          30 LEU  HB-         5.50    (#   4398:20  Unique         2.66, 4.62 A)
 &rst
  ixpk= 4398, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 480, 481, 482,
 igr2= 445, 446,
 &end
#
#    0 AMB  20-2:4401    20 LEU  HB-         5.50    (#   4401:20  Single Ambig)
 &rst
  ixpk= 4401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 856, 857, 355,
 igr2= 283, 284,
 &end
#
#   32 VAL  MG1           1 MET  HB+         4.50    (#   4402:20  Unique         2.28, 4.34 A)
 &rst
  ixpk= 4402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 480, 481, 482,
 igr2=   8,   9,
 &end
#
#   32 VAL  MG1           1 MET  HB-         5.50    (#   4403:20  Unique         2.28, 4.34 A)
 &rst
  ixpk= 4403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 480, 481, 482,
 igr2=   8,   9,
 &end
#
#   32 VAL  MG1           1 MET  HG+         4.50    (#   4404:20  Unique         2.54, 3.77 A)
 &rst
  ixpk= 4404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 480, 481, 482,
 igr2=  11,  12,
 &end
#
#   79 LEU  HB+           1 MET  HG+         5.50    (#   4405:20  Unique         4.55, 5.16 A)
 &rst
  ixpk= 4405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1167,1168,
 igr2=  11,  12,
 &end
#
#   70 THR  MG2          68 PRO  HB+         5.50    (#   4406:20  Unique         2.30, 4.16 A)
 &rst
  ixpk= 4406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1041,1042,1043,
 igr2=1009,1010,
 &end
#
#   78 ASP  HN            1 MET  HG+         7.00    (#   4407:20  Unique         5.65, 6.56 A)
 &rst
  ixpk= 4407, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  11,  12,
 &end
#
#   79 LEU  HN            1 MET  HG+         5.50    (#   4408:20  Unique         5.57, 6.30 A)
 &rst
  ixpk= 4408, nxpk= 20, iat=1163,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  11,  12,
 &end
#
#    2 ASP  HA            1 MET  HG+         5.50    (#   4409:20  Unique         3.29, 4.65 A)
 &rst
  ixpk= 4409, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  11,  12,
 &end
#
#    3 ILE  QG2           1 MET  HG+         5.50    (#   4410:20  Unique         5.53, 6.70 A)
 &rst
  ixpk= 4410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  39,  40,  41,
 igr2=  11,  12,
 &end
#
#   79 LEU  MD1           1 MET  HG+         5.50    (#   4411:20  Unique         6.50, 7.57 A)
 &rst
  ixpk= 4411, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1172,1173,1174,
 igr2=  11,  12,
 &end
#
#   79 LEU  MD1           1 MET  HG+         7.00    (#   4412:20  Unique         6.50, 7.57 A)
 &rst
  ixpk= 4412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1172,1173,1174,
 igr2=  11,  12,
 &end
#
#    3 ILE  HG1+          2 ASP  HA          5.50    (#   4413:20  Unique         3.25, 4.01 A)
 &rst
  ixpk= 4413, nxpk= 20, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  43,  44,
 &end
#
#   79 LEU  MD2           3 ILE  HG1+        4.50    (#   4414:20  Unique         2.34, 4.23 A)
 &rst
  ixpk= 4414, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1176,1177,1178,
 igr2=  43,  44,
 &end
#
#   79 LEU  MD2           3 ILE  HG1-        5.50    (#   4415:20  Unique         2.34, 4.23 A)
 &rst
  ixpk= 4415, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1176,1177,1178,
 igr2=  43,  44,
 &end
#
#    0 AMB  20-2:4416     0 AMB  20-1:4416   5.50    (#   4416:20  Double Ambig)
 &rst
  ixpk= 4416, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  52, 254,
 igr2=  43,  44, 217, 218,
 &end
#
#    4 ILE  HN            3 ILE  HG1+        5.50    (#   4417:20  Unique         4.70, 5.05 A)
 &rst
  ixpk= 4417, nxpk= 20, iat=  52,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  43,  44,
 &end
#
#    3 ILE  HN            3 ILE  HG1+        5.50    (#   4418:20  Unique         2.34, 3.08 A)
 &rst
  ixpk= 4418, nxpk= 20, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  43,  44,
 &end
#
#    2 ASP  HB+           4 ILE  HG1-        5.50    (#   4419:20  Unique         4.81, 6.48 A)
 &rst
  ixpk= 4419, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  25,  26,
 igr2=  62,  63,
 &end
#
#   77 ALA  HA            4 ILE  HG1-        5.50    (#   4420:20  Unique         4.43, 5.02 A)
 &rst
  ixpk= 4420, nxpk= 20, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  62,  63,
 &end
#
#   36 SER  HA            4 ILE  HG1-        7.00    (#   4421:20  Unique         5.03, 5.95 A)
 &rst
  ixpk= 4421, nxpk= 20, iat= 546,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=  62,  63,
 &end
#
#    0 AMB  20-2:4423   138 LEU  HA          5.50    (#   4423:20  Single Ambig)
 &rst
  ixpk= 4423, nxpk= 20, iat=  -1,2116, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2157,1668,
 &end
#
#    0 AMB  20-2:4424   138 LEU  HA          5.50    (#   4424:20  Single Ambig)
 &rst
  ixpk= 4424, nxpk= 20, iat=  -1,2116, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 308, 312,  81,  85,
 &end
#
#  142 ALA  HN          138 LEU  HA          5.50    (#   4425:20  Unique         3.75, 3.90 A)
 &rst
  ixpk= 4425, nxpk= 20, iat=2193,2116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:4427     6 VAL  HA          5.50    (#   4427:20  Single Ambig)
 &rst
  ixpk= 4427, nxpk= 20, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  58,  59,  60,1025,1026,1027,
 &end
#
#   14 SER  HB+           6 VAL  HA          5.50    (#   4428:20  Unique         3.02, 3.71 A)
 &rst
  ixpk= 4428, nxpk= 20, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 206, 207,
 &end
#
#    0 AMB  20-2:4429     6 VAL  HB          5.50    (#   4429:20  Single Ambig)
 &rst
  ixpk= 4429, nxpk= 20, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 578, 579, 580,1202,1203,
 &end
#
#   82 ALA  MB            6 VAL  HB          5.50    (#   4430:20  Unique         5.27, 6.38 A)
 &rst
  ixpk= 4430, nxpk= 20, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1221,1222,1223,
 &end
#
#    7 CYS  HN            6 VAL  HB          5.50    (#   4431:20  Unique         3.65, 3.95 A)
 &rst
  ixpk= 4431, nxpk= 20, iat= 107,  95, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  108 TYR  HB-         103 PHE  HB-         5.50    (#   4438:20  Unique         2.27, 3.29 A)
 &rst
  ixpk= 4438, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1664,1665,
 igr2=1574,1575,
 &end
#
#  108 TYR  HB-         103 PHE  HB+         5.50    (#   4439:20  Unique         2.27, 3.29 A)
 &rst
  ixpk= 4439, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1664,1665,
 igr2=1574,1575,
 &end
#
#  103 PHE  HA          103 PHE  HB-         5.50    (#   4441:20  Unique         2.47, 2.77 A)
 &rst
  ixpk= 4441, nxpk= 20, iat=1572,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1574,1575,
 &end
#
#  103 PHE  HD2         103 PHE  HB-         5.50    (#   4442:20  Unique         2.40, 3.07 A)
 &rst
  ixpk= 4442, nxpk= 20, iat=1586,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1574,1575,
 &end
#
#    0 AMB  20-2:4443   103 PHE  HB-         7.00    (#   4443:20  Single Ambig)
 &rst
  ixpk= 4443, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1580,1584,1668,
 igr2=1574,1575,
 &end
#
#    0 AMB  20-2:4444     0 AMB  20-1:4444   5.50    (#   4444:20  Double Ambig)
 &rst
  ixpk= 4444, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 478,2265,2266,
 igr2= 445, 446, 445, 446,
 &end
#
#    0 AMB  20-2:4445    30 LEU  HB-         5.50    (#   4445:20  Single Ambig)
 &rst
  ixpk= 4445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 478,2265,2266,
 igr2= 445, 446,
 &end
#
#    2 ASP  HN           78 ASP  HB-         5.50    (#   4454:20  Unique         1.93, 2.59 A)
 &rst
  ixpk= 4454, nxpk= 20, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1155,1156,
 &end
#
#   78 ASP  HN           78 ASP  HB-         5.50    (#   4455:20  Unique         2.59, 2.84 A)
 &rst
  ixpk= 4455, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1155,1156,
 &end
#
#    1 MET  HA           78 ASP  HB+         5.50    (#   4456:20  Unique         2.41, 3.24 A)
 &rst
  ixpk= 4456, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1155,1156,
 &end
#
#    1 MET  HA           78 ASP  HB-         5.50    (#   4457:20  Unique         2.41, 3.24 A)
 &rst
  ixpk= 4457, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1155,1156,
 &end
#
#   77 ALA  HA           78 ASP  HB+         5.50    (#   4458:20  Unique         3.98, 4.36 A)
 &rst
  ixpk= 4458, nxpk= 20, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1155,1156,
 &end
#
#    0 AMB  20-2:4459     0 AMB  20-1:4459   5.50    (#   4459:20  Double Ambig)
 &rst
  ixpk= 4459, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1143,1783,
 igr2=1155,1156,1757,1758,
 &end
#
#    0 AMB  20-2:4460    78 ASP  HB-         5.50    (#   4460:20  Single Ambig)
 &rst
  ixpk= 4460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=  15,  16,  17,   8,   9,
 igr2=1155,1156,
 &end
#
#   35 ARG  HN           35 ARG  HD+         7.00    (#   4461:20  Unique         2.70, 4.32 A)
 &rst
  ixpk= 4461, nxpk= 20, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 530, 531,
 &end
#
#    2 ASP  HB-          35 ARG  HD+         5.50    (#   4462:20  Unique         4.57, 6.26 A)
 &rst
  ixpk= 4462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  25,  26,
 igr2= 530, 531,
 &end
#
#    0 AMB  20-2:4463     0 AMB  20-1:4463   3.00    (#   4463:20  Double Ambig)
 &rst
  ixpk= 4463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1503,1504, 402, 403,1999,2000,
 igr2=1506,1507, 405, 406,2005,2006,
 &end
#
#   92 ALA  MB           99 ARG  HD+         4.50    (#   4464:20  Unique         2.19, 4.02 A)
 &rst
  ixpk= 4464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1390,1391,1392,
 igr2=1506,1507,
 &end
#
#    0 AMB  20-2:4465     0 AMB  20-1:4465   4.50    (#   4465:20  Double Ambig)
 &rst
  ixpk= 4465, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1923,1498,1388,
 igr2=2005,2006,1506,1507,1506,1507,
 &end
#
#    0 AMB  20-2:4466     0 AMB  20-1:4466   5.50    (#   4466:20  Double Ambig)
 &rst
  ixpk= 4466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1520, 782,2046, 811,
 igr2=1506,1507,2005,2006,
 &end
#
#  138 LEU  HN          137 LEU  HB-         5.50    (#   4467:20  Unique         2.47, 3.18 A)
 &rst
  ixpk= 4467, nxpk= 20, iat=2114,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2099,2100,
 &end
#
#  138 LEU  HN          137 LEU  HB+         7.00    (#   4468:20  Unique         2.47, 3.18 A)
 &rst
  ixpk= 4468, nxpk= 20, iat=2114,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2099,2100,
 &end
#
#  137 LEU  HN          137 LEU  HB+         5.50    (#   4469:20  Unique         2.41, 2.54 A)
 &rst
  ixpk= 4469, nxpk= 20, iat=2095,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2099,2100,
 &end
#
#  137 LEU  HN          137 LEU  HB-         5.50    (#   4470:20  Unique         2.41, 2.54 A)
 &rst
  ixpk= 4470, nxpk= 20, iat=2095,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2099,2100,
 &end
#
#  137 LEU  HA          137 LEU  HB-         5.50    (#   4471:20  Unique         2.54, 2.81 A)
 &rst
  ixpk= 4471, nxpk= 20, iat=2097,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2099,2100,
 &end
#
#   52 VAL  MG2          62 LEU  HB-         4.50    (#   4472:20  Unique         2.15, 3.87 A)
 &rst
  ixpk= 4472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 761, 762, 763,
 igr2= 918, 919,
 &end
#
#   52 VAL  MG2          62 LEU  HB-         4.50    (#   4473:20  Unique         2.15, 3.87 A)
 &rst
  ixpk= 4473, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 761, 762, 763,
 igr2= 918, 919,
 &end
#
#    0 AMB  20-2:4474     0 AMB  20-1:4474   3.50    (#   4474:20  Double Ambig)
 &rst
  ixpk= 4474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=2104,2105,2106, 801, 802, 803,
 igr2=2099,2100, 918, 919,
 &end
#
#    0 AMB  20-2:4475     0 AMB  20-1:4475   5.50    (#   4475:20  Double Ambig)
 &rst
  ixpk= 4475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 801, 802, 803, 234, 235,
 igr2= 918, 919, 918, 919,
 &end
#
#    0 AMB  20-2:4476     0 AMB  20-1:4476   4.50    (#   4476:20  Double Ambig)
 &rst
  ixpk= 4476, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1=1611, 288, 289, 290, 898, 899, 900,
 igr2=2099,2100, 918, 919,
 &end
#
#   78 ASP  HN            2 ASP  HB-         5.50    (#   4477:20  Unique         2.39, 3.42 A)
 &rst
  ixpk= 4477, nxpk= 20, iat=1151,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  25,  26,
 &end
#
#    2 ASP  HA            2 ASP  HB-         4.50    (#   4478:20  Unique         2.39, 2.73 A)
 &rst
  ixpk= 4478, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  25,  26,
 &end
#
#   77 ALA  HA            2 ASP  HB-         3.50    (#   4479:20  Unique         2.04, 2.80 A)
 &rst
  ixpk= 4479, nxpk= 20, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  25,  26,
 &end
#
#  101 LYS  HG+         101 LYS  HE-         5.50    (#   4480:20  Unique         2.39, 2.97 A)
 &rst
  ixpk= 4480, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1539,1540,
 igr2=1545,1546,
 &end
#
#  101 LYS  HB-         101 LYS  HE+         5.50    (#   4481:20  Unique         2.25, 3.93 A)
 &rst
  ixpk= 4481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1536,1537,
 igr2=1545,1546,
 &end
#
#   98 TYR  HB+         101 LYS  HE+         5.50    (#   4482:20  Unique         3.54, 5.35 A)
 &rst
  ixpk= 4482, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1479,1480,
 igr2=1545,1546,
 &end
#
#    0 AMB  20-2:4484   101 LYS  HE-         7.00    (#   4484:20  Single Ambig)
 &rst
  ixpk= 4484, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1534,1165,
 igr2=1545,1546,
 &end
#
#    0 AMB  20-2:4485   117 LEU  HB-         4.50    (#   4485:20  Single Ambig)
 &rst
  ixpk= 4485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1783,1985,
 igr2=1785,1786,
 &end
#
#  116 VAL  HA          117 LEU  HB-         5.50    (#   4486:20  Unique         3.75, 4.81 A)
 &rst
  ixpk= 4486, nxpk= 20, iat=1767,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1785,1786,
 &end
#
#  117 LEU  HG          117 LEU  HB-         3.50    (#   4488:20  Unique         2.38, 2.81 A)
 &rst
  ixpk= 4488, nxpk= 20, iat=1788,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1785,1786,
 &end
#
#  117 LEU  MD2         117 LEU  HB+         3.50    (#   4489:20  Unique         2.35, 3.51 A)
 &rst
  ixpk= 4489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1794,1795,1796,
 igr2=1785,1786,
 &end
#
#  117 LEU  MD1         117 LEU  HB-         3.50    (#   4490:20  Unique         2.35, 3.11 A)
 &rst
  ixpk= 4490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1790,1791,1792,
 igr2=1785,1786,
 &end
#
#  117 LEU  MD2         117 LEU  HB-         4.50    (#   4491:20  Unique         2.35, 3.51 A)
 &rst
  ixpk= 4491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1794,1795,1796,
 igr2=1785,1786,
 &end
#
#  116 VAL  MG1         117 LEU  HB-         5.50    (#   4492:20  Unique         2.72, 4.55 A)
 &rst
  ixpk= 4492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1771,1772,1773,
 igr2=1785,1786,
 &end
#
#   69 LEU  HG           69 LEU  HB-         5.50    (#   4493:20  Unique         2.35, 2.70 A)
 &rst
  ixpk= 4493, nxpk= 20, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1020,1021,
 &end
#
#  118 ASP  HN          118 ASP  HB-         4.50    (#   4494:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 4494, nxpk= 20, iat=1800,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1804,1805,
 &end
#
#    5 PHE  QD            5 PHE  HB+         4.50    (#   4495:20  Unique         2.38, 3.09 A)
 &rst
  ixpk= 4495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  79,  87,
 igr2=  75,  76,
 &end
#
#    5 PHE  HA            5 PHE  HB+         5.50    (#   4496:20  Unique         2.49, 2.79 A)
 &rst
  ixpk= 4496, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  75,  76,
 &end
#
#    0 AMB  20-2:4497     0 AMB  20-1:4497   3.00    (#   4497:20  Double Ambig)
 &rst
  ixpk= 4497, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=1952,1953,2213,2214,2293,2294,
 igr2=1955,1956,2216,2217,2296,2297,
 &end
#
#    0 AMB  20-2:4498     0 AMB  20-1:4498   3.00    (#   4498:20  Double Ambig)
 &rst
  ixpk= 4498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1949,1950,2210,2211,
 igr2=1955,1956,2216,2217,
 &end
#
#    0 AMB  20-2:4499     0 AMB  20-1:4499   5.50    (#   4499:20  Double Ambig)
 &rst
  ixpk= 4499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1976,1977,2203,
 igr2=1955,1956,2216,2217,
 &end
#
#  142 ALA  HA          145 LEU  HB-         5.50    (#   4500:20  Unique         2.48, 3.62 A)
 &rst
  ixpk= 4500, nxpk= 20, iat=2195,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2246,2247,
 &end
#
#  145 LEU  HA          145 LEU  HB-         4.50    (#   4501:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 4501, nxpk= 20, iat=2244,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2246,2247,
 &end
#
#    0 AMB  20-2:4502   145 LEU  HB-         3.50    (#   4502:20  Single Ambig)
 &rst
  ixpk= 4502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=2249,  15,  16,  17,
 igr2=2246,2247,
 &end
#
#   20 LEU  HB-          58 LYS  HE+         5.50    (#   4503:20  Unique         4.90, 6.02 A)
 &rst
  ixpk= 4503, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 283, 284,
 igr2= 859, 860,
 &end
#
#    0 AMB  20-2:4504     0 AMB  20-1:4504   5.50    (#   4504:20  Double Ambig)
 &rst
  ixpk= 4504, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1864,1865,1904,
 igr2=1894,1895,1894,1895,
 &end
#
#   83 MET  HB-          84 THR  MG2         5.50    (#   4524:20  Unique         3.03, 4.74 A)
 &rst
  ixpk= 4524, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1231,1232,
 igr2=1250,1251,1252,
 &end
#
#  106 LYS  HE+         116 VAL  MG2         5.50    (#   4525:20  Unique         2.18, 4.10 A)
 &rst
  ixpk= 4525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1636,1637,
 igr2=1775,1776,1777,
 &end
#
#   82 ALA  HA            6 VAL  HB          5.50    (#   4526:20  Unique         4.69, 4.80 A)
 &rst
  ixpk= 4526, nxpk= 20, iat=1219,  95, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  103 PHE  QD          107 GLU  HG+         5.50    (#   4527:20  Unique         2.49, 5.64 A)
 &rst
  ixpk= 4527, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1578,1586,
 igr2=1652,1653,
 &end
#
#  103 PHE  HA          107 GLU  HG+         5.50    (#   4528:20  Unique         4.13, 4.94 A)
 &rst
  ixpk= 4528, nxpk= 20, iat=1572,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1652,1653,
 &end
#
#  107 GLU  HA          107 GLU  HG+         5.50    (#   4529:20  Unique         2.64, 2.96 A)
 &rst
  ixpk= 4529, nxpk= 20, iat=1647,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1652,1653,
 &end
#
#  103 PHE  HB+         107 GLU  HG+         5.50    (#   4530:20  Unique         3.21, 5.16 A)
 &rst
  ixpk= 4530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1574,1575,
 igr2=1652,1653,
 &end
#
#  103 PHE  HB-         107 GLU  HG+         5.50    (#   4531:20  Unique         3.21, 5.16 A)
 &rst
  ixpk= 4531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1574,1575,
 igr2=1652,1653,
 &end
#
#   73 LEU  HN           72 GLU  HG+         5.50    (#   4532:20  Unique         2.47, 2.64 A)
 &rst
  ixpk= 4532, nxpk= 20, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1071,1072,
 &end
#
#   68 PRO  HD-          68 PRO  HB+         5.50    (#   4533:20  Unique         2.80, 3.68 A)
 &rst
  ixpk= 4533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1003,1004,
 igr2=1009,1010,
 &end
#
#   68 PRO  HD+          68 PRO  HB+         5.50    (#   4534:20  Unique         2.80, 3.68 A)
 &rst
  ixpk= 4534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1003,1004,
 igr2=1009,1010,
 &end
#
#   69 LEU  HN           68 PRO  HB+         5.50    (#   4535:20  Unique         2.86, 3.37 A)
 &rst
  ixpk= 4535, nxpk= 20, iat=1016,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1009,1010,
 &end
#
#   51 ALA  HA           52 VAL  HB          5.50    (#   4536:20  Unique         5.50, 5.51 A)
 &rst
  ixpk= 4536, nxpk= 20, iat= 743, 755, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:4537     0 AMB  20-1:4537   5.50    (#   4537:20  Double Ambig)
 &rst
  ixpk= 4537, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1570, 991,
 igr2=1186,1009,1010,
 &end
#
#   89 GLN  HG+          92 ALA  MB          5.50    (#   4538:20  Unique         4.33, 5.76 A)
 &rst
  ixpk= 4538, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1338,1339,
 igr2=1390,1391,1392,
 &end
#
#   89 GLN  HG-          92 ALA  MB          5.50    (#   4539:20  Unique         4.33, 5.76 A)
 &rst
  ixpk= 4539, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1338,1339,
 igr2=1390,1391,1392,
 &end
#
#   95 PHE  HB-          92 ALA  MB          5.50    (#   4540:20  Unique         5.18, 6.56 A)
 &rst
  ixpk= 4540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1428,1429,
 igr2=1390,1391,1392,
 &end
#
#    0 AMB  20-2:4541    92 ALA  MB          5.50    (#   4541:20  Single Ambig)
 &rst
  ixpk= 4541, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1311,1369,
 igr2=1390,1391,1392,
 &end
#
#    0 AMB  20-2:4543    65 VAL  MG2         5.50    (#   4543:20  Single Ambig)
 &rst
  ixpk= 4543, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 937, 938, 647, 648,
 igr2= 974, 975, 976,
 &end
#
#   44 ASN  HB+          65 VAL  MG2         5.50    (#   4544:20  Unique         6.30, 7.65 A)
 &rst
  ixpk= 4544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 647, 648,
 igr2= 974, 975, 976,
 &end
#
#    0 AMB  20-2:4546   104 THR  MG2         5.50    (#   4546:20  Single Ambig)
 &rst
  ixpk= 4546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1309,1765,
 igr2=1596,1597,1598,
 &end
#
#   85 HIS  HD2         104 THR  MG2         5.50    (#   4547:20  Unique         3.35, 5.14 A)
 &rst
  ixpk= 4547, nxpk= 20, iat=1271,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1596,1597,1598,
 &end
#
#  105 LEU  HN          104 THR  MG2         5.50    (#   4548:20  Unique         2.25, 3.12 A)
 &rst
  ixpk= 4548, nxpk= 20, iat=1604,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1596,1597,1598,
 &end
#
#   84 THR  HA          104 THR  MG2         5.50    (#   4549:20  Unique         2.49, 2.95 A)
 &rst
  ixpk= 4549, nxpk= 20, iat=1246,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1596,1597,1598,
 &end
#
#   85 HIS  HB+         104 THR  MG2         5.50    (#   4550:20  Unique         2.54, 4.79 A)
 &rst
  ixpk= 4550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1262,1263,
 igr2=1596,1597,1598,
 &end
#
#   85 HIS  HB-         104 THR  MG2         5.50    (#   4551:20  Unique         2.54, 4.79 A)
 &rst
  ixpk= 4551, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1262,1263,
 igr2=1596,1597,1598,
 &end
#
#    0 AMB  20-2:4552   104 THR  MG2         5.50    (#   4552:20  Single Ambig)
 &rst
  ixpk= 4552, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1231,1232,1652,1653,
 igr2=1596,1597,1598,
 &end
#
#   88 LYS  HA          104 THR  MG2         5.50    (#   4553:20  Unique         5.83, 6.94 A)
 &rst
  ixpk= 4553, nxpk= 20, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1596,1597,1598,
 &end
#
#   84 THR  MG2         104 THR  MG2         5.50    (#   4554:20  Unique         4.90, 5.96 A)
 &rst
  ixpk= 4554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1250,1251,1252,
 igr2=1596,1597,1598,
 &end
#
#   88 LYS  HB+         104 THR  MG2         5.50    (#   4555:20  Unique         3.70, 5.07 A)
 &rst
  ixpk= 4555, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1313,1314,
 igr2=1596,1597,1598,
 &end
#
#   68 PRO  HB+          39 VAL  MG1         7.00    (#   4556:20  Unique         6.66, 7.78 A)
 &rst
  ixpk= 4556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1009,1010,
 igr2= 578, 579, 580,
 &end
#
#    2 ASP  HA           32 VAL  MG1         5.50    (#   4557:20  Unique         5.35, 6.15 A)
 &rst
  ixpk= 4557, nxpk= 20, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 480, 481, 482,
 &end
#
#   21 PHE  HD2          32 VAL  MG1         4.50    (#   4558:20  Unique         4.00, 5.13 A)
 &rst
  ixpk= 4558, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 480, 481, 482,
 &end
#
#   31 ASN  HD2+         32 VAL  MG1         5.50    (#   4559:20  Unique         5.53, 7.36 A)
 &rst
  ixpk= 4559, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 469, 470,
 igr2= 480, 481, 482,
 &end
#
#   66 SER  HB+          65 VAL  MG2         7.00    (#   4560:20  Unique         6.66, 7.96 A)
 &rst
  ixpk= 4560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 984, 985,
 igr2= 974, 975, 976,
 &end
#
#   66 SER  HA           41 ALA  MB          5.50    (#   4561:20  Unique         4.17, 5.32 A)
 &rst
  ixpk= 4561, nxpk= 20, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 612, 613, 614,
 &end
#
#  106 LYS  HE+         116 VAL  MG1         5.50    (#   4563:20  Unique         3.80, 5.57 A)
 &rst
  ixpk= 4563, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1636,1637,
 igr2=1771,1772,1773,
 &end
#
#    0 AMB  20-2:4566   102 VAL  MG2         5.50    (#   4566:20  Single Ambig)
 &rst
  ixpk= 4566, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1432,1440,1496,
 igr2=1564,1565,1566,
 &end
#
#  103 PHE  QD          102 VAL  MG2         5.50    (#   4567:20  Unique         5.82, 7.79 A)
 &rst
  ixpk= 4567, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1578,1586,
 igr2=1564,1565,1566,
 &end
#
#    4 ILE  HG1-         80 VAL  MG1         5.50    (#   4568:20  Unique         4.65, 6.29 A)
 &rst
  ixpk= 4568, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  62,  63,
 igr2=1188,1189,1190,
 &end
#
#    0 AMB  20-2:4569    80 VAL  MG1         5.50    (#   4569:20  Single Ambig)
 &rst
  ixpk= 4569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1311,1369,
 igr2=1188,1189,1190,
 &end
#
#   99 ARG  HA           80 VAL  MG1         6.00    (#   4570:20  Unique         6.03, 6.89 A)
 &rst
  ixpk= 4570, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1188,1189,1190,
 &end
#
#    0 AMB  20-2:4571    80 VAL  MG1         5.50    (#   4571:20  Single Ambig)
 &rst
  ixpk= 4571, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1165,1534,
 igr2=1188,1189,1190,
 &end
#
#   81 LEU  HA           80 VAL  MG1         7.00    (#   4573:20  Unique         4.07, 5.15 A)
 &rst
  ixpk= 4573, nxpk= 20, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1188,1189,1190,
 &end
#
#    5 PHE  HA           80 VAL  MG1         5.50    (#   4574:20  Unique         5.13, 5.98 A)
 &rst
  ixpk= 4574, nxpk= 20, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1188,1189,1190,
 &end
#
#  102 VAL  HN           80 VAL  MG1         7.00    (#   4575:20  Unique         5.55, 6.19 A)
 &rst
  ixpk= 4575, nxpk= 20, iat=1554,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1188,1189,1190,
 &end
#
#    0 AMB  20-2:4576    80 VAL  MG1         7.00    (#   4576:20  Single Ambig)
 &rst
  ixpk= 4576, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1=1432,1440,1163,
 igr2=1188,1189,1190,
 &end
#
#    0 AMB  20-2:4578    79 LEU  MD1         5.50    (#   4578:20  Single Ambig)
 &rst
  ixpk= 4578, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1165,1534,
 igr2=1172,1173,1174,
 &end
#
#  103 PHE  HN           79 LEU  MD1         7.00    (#   4580:20  Unique         4.48, 5.27 A)
 &rst
  ixpk= 4580, nxpk= 20, iat=1570,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1172,1173,1174,
 &end
#
#  126 ILE  QG2         119 PRO  HB-         5.50    (#   4581:20  Unique         2.32, 3.81 A)
 &rst
  ixpk= 4581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1908,1909,1910,
 igr2=1819,1820,
 &end
#
#  127 TYR  HA          119 PRO  HB-         7.00    (#   4583:20  Unique         2.38, 2.70 A)
 &rst
  ixpk= 4583, nxpk= 20, iat=1923,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1819,1820,
 &end
#
#  119 PRO  HA          119 PRO  HB-         5.50    (#   4584:20  Unique         2.34, 2.53 A)
 &rst
  ixpk= 4584, nxpk= 20, iat=1822,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1819,1820,
 &end
#
#  109 VAL  HN           81 LEU  HG          7.00    (#   4585:20  Unique         6.28, 6.80 A)
 &rst
  ixpk= 4585, nxpk= 20, iat=1681,1205, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  20-2:4586    81 LEU  HG          5.50    (#   4586:20  Single Ambig)
 &rst
  ixpk= 4586, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1668,1580,1584,
 &end
#
#    5 PHE  QD           81 LEU  HG          5.50    (#   4587:20  Unique         5.42, 7.04 A)
 &rst
  ixpk= 4587, nxpk= 20, iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  79,  87,
 &end
#
#    0 AMB  20-2:4589     0 AMB  20-1:4589   5.50    (#   4589:20  Double Ambig)
 &rst
  ixpk= 4589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1369, 372,
 igr2= 578, 579, 580, 480, 481, 482,
 &end
#
#   32 VAL  HB           32 VAL  MG1         3.00    (#   4590:20  Unique         2.35, 2.63 A)
 &rst
  ixpk= 4590, nxpk= 20, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 480, 481, 482,
 &end
#
#    0 AMB  20-2:4591    32 VAL  MG1         5.50    (#   4591:20  Single Ambig)
 &rst
  ixpk= 4591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  33, 504,
 igr2= 480, 481, 482,
 &end
#
#    0 AMB  20-2:4592    60 ILE  QG2         5.50    (#   4592:20  Single Ambig)
 &rst
  ixpk= 4592, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 868, 792,
 igr2= 891, 892, 893,
 &end
#
#    0 AMB  20-2:4593    24 ILE  QG2         3.60    (#   4593:20  Single Ambig)
 &rst
  ixpk= 4593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=2140,2141, 399, 400,
 igr2= 357, 358, 359,
 &end
#
#  139 ARG  HN           24 ILE  QG2         5.50    (#   4594:20  Unique         4.12, 5.57 A)
 &rst
  ixpk= 4594, nxpk= 20, iat=2133,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 357, 358, 359,
 &end
#
#   87 HIS  HB+          90 ILE  QD1         5.50    (#   4595:20  Unique         4.10, 5.99 A)
 &rst
  ixpk= 4595, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1296,1297,
 igr2=1361,1362,1363,
 &end
#
#    0 AMB  20-2:4596    90 ILE  QD1         5.50    (#   4596:20  Single Ambig)
 &rst
  ixpk= 4596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1311,1369,
 igr2=1361,1362,1363,
 &end
#
#    0 AMB  20-2:4597    90 ILE  QD1         5.50    (#   4597:20  Single Ambig)
 &rst
  ixpk= 4597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 120, 574,
 igr2=1361,1362,1363,
 &end
#
#    0 AMB  20-2:4598    90 ILE  QD1         5.50    (#   4598:20  Single Ambig)
 &rst
  ixpk= 4598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1400,1401,1333,
 igr2=1361,1362,1363,
 &end
#
#   75 GLU  HG+          74 MET  HE          5.50    (#   4600:20  Unique         5.23, 6.90 A)
 &rst
  ixpk= 4600, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1122,1123,
 igr2=1109,1110,1111,
 &end
#
#  101 LYS  HE+          74 MET  HE          5.50    (#   4602:20  Unique         2.49, 4.76 A)
 &rst
  ixpk= 4602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1545,1546,
 igr2=1109,1110,1111,
 &end
#
#    0 AMB  20-2:4605    16 MET  HE1         5.50    (#   4605:20  Single Ambig)
 &rst
  ixpk= 4605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1813, 859, 860,
 igr2= 238, 239, 240,
 &end
#
#  119 PRO  HA           16 MET  HE1         7.00    (#   4607:20  Unique         6.61, 7.96 A)
 &rst
  ixpk= 4607, nxpk= 20, iat=1822,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 238, 239, 240,
 &end
#
#   51 ALA  HN           16 MET  HE1         5.50    (#   4608:20  Unique         6.02, 6.71 A)
 &rst
  ixpk= 4608, nxpk= 20, iat= 741,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 238, 239, 240,
 &end
#
#   21 PHE  HN           19 ALA  MB          5.50    (#   4609:20  Unique         5.04, 5.58 A)
 &rst
  ixpk= 4609, nxpk= 20, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 273, 274, 275,
 &end
#
#   61 ALA  HN           61 ALA  MB          3.50    (#   4610:20  Unique         2.97, 3.56 A)
 &rst
  ixpk= 4610, nxpk= 20, iat= 904,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 908, 909, 910,
 &end
#
#   18 GLU  HN           19 ALA  MB          5.50    (#   4611:20  Unique         4.95, 5.53 A)
 &rst
  ixpk= 4611, nxpk= 20, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 273, 274, 275,
 &end
#
#   17 ALA  HN           19 ALA  MB          5.50    (#   4612:20  Unique         5.30, 6.24 A)
 &rst
  ixpk= 4612, nxpk= 20, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 273, 274, 275,
 &end
#
#   16 MET  HN           19 ALA  MB          7.00    (#   4613:20  Unique         5.26, 6.04 A)
 &rst
  ixpk= 4613, nxpk= 20, iat= 227,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 273, 274, 275,
 &end
#
#   23 SER  HN           19 ALA  MB          7.00    (#   4614:20  Unique         5.13, 5.75 A)
 &rst
  ixpk= 4614, nxpk= 20, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 273, 274, 275,
 &end
#
#   62 LEU  HA           19 ALA  MB          5.50    (#   4615:20  Unique         2.72, 3.72 A)
 &rst
  ixpk= 4615, nxpk= 20, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 273, 274, 275,
 &end
#
#    0 AMB  20-2:4616    19 ALA  MB          5.50    (#   4616:20  Single Ambig)
 &rst
  ixpk= 4616, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 246, 753,
 igr2= 273, 274, 275,
 &end
#
#   18 GLU  HB+          19 ALA  MB          5.50    (#   4617:20  Unique         3.96, 5.80 A)
 &rst
  ixpk= 4617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 258, 259,
 igr2= 273, 274, 275,
 &end
#
#   22 LYS  HE-          19 ALA  MB          5.50    (#   4618:20  Unique         4.43, 7.29 A)
 &rst
  ixpk= 4618, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 331, 332,
 igr2= 273, 274, 275,
 &end
#
#    0 AMB  20-2:4621    83 MET  HE          5.50    (#   4621:20  Single Ambig)
 &rst
  ixpk= 4621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 246, 548, 549,
 igr2=1238,1239,1240,
 &end
#
#    7 CYS  HA           83 MET  HE          5.50    (#   4624:20  Unique         4.61, 6.15 A)
 &rst
  ixpk= 4624, nxpk= 20, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1238,1239,1240,
 &end
#
#   81 LEU  HA           83 MET  HE          7.00    (#   4625:20  Unique         5.41, 6.90 A)
 &rst
  ixpk= 4625, nxpk= 20, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1238,1239,1240,
 &end
#
#    7 CYS  HN           83 MET  HE          5.50    (#   4626:20  Unique         4.77, 6.08 A)
 &rst
  ixpk= 4626, nxpk= 20, iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1238,1239,1240,
 &end
#
#   18 GLU  HN           83 MET  HE          5.50    (#   4627:20  Unique         5.01, 6.41 A)
 &rst
  ixpk= 4627, nxpk= 20, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1238,1239,1240,
 &end
#
#   17 ALA  HN           83 MET  HE          5.50    (#   4628:20  Unique         4.16, 5.50 A)
 &rst
  ixpk= 4628, nxpk= 20, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1238,1239,1240,
 &end
#
#   82 ALA  HN           83 MET  HE          5.50    (#   4630:20  Unique         4.94, 6.64 A)
 &rst
  ixpk= 4630, nxpk= 20, iat=1217,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1238,1239,1240,
 &end
#
#  133 GLU  HG-         116 VAL  MG2         5.50    (#   4632:20  Unique         2.40, 4.90 A)
 &rst
  ixpk= 4632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2038,2039,
 igr2=1775,1776,1777,
 &end
#
#  117 LEU  HA          116 VAL  MG2         7.00    (#   4633:20  Unique         6.53, 7.00 A)
 &rst
  ixpk= 4633, nxpk= 20, iat=1783,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1775,1776,1777,
 &end
#
#  115 ASP  HA          116 VAL  MG2         5.50    (#   4634:20  Unique         3.45, 4.67 A)
 &rst
  ixpk= 4634, nxpk= 20, iat=1755,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1775,1776,1777,
 &end
#
#   87 HIS  HN           84 THR  MG2         5.50    (#   4635:20  Unique         4.11, 4.92 A)
 &rst
  ixpk= 4635, nxpk= 20, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1250,1251,1252,
 &end
#
#  115 ASP  HB-          84 THR  MG2         4.50    (#   4636:20  Unique         2.28, 4.16 A)
 &rst
  ixpk= 4636, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1757,1758,
 igr2=1250,1251,1252,
 &end
#
#   67 SER  HB-          37 ALA  MB          4.50    (#   4637:20  Unique         3.94, 5.61 A)
 &rst
  ixpk= 4637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 995, 996,
 igr2= 559, 560, 561,
 &end
#
#  113 HIS  HA          107 GLU  HB+         5.50    (#   4638:20  Unique         2.17, 3.51 A)
 &rst
  ixpk= 4638, nxpk= 20, iat=1731,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1649,1650,
 &end
#
#  107 GLU  HG+         107 GLU  HB+         5.50    (#   4639:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 4639, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1652,1653,
 igr2=1649,1650,
 &end
#
#  143 LYS  HD+         140 GLN  HB-         3.50    (#   4640:20  Unique         4.22, 6.78 A)
 &rst
  ixpk= 4640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2213,2214,
 igr2=2161,2162,
 &end
#
#    0 AMB  20-2:4641     0 AMB  20-1:4641   5.50    (#   4641:20  Double Ambig)
 &rst
  ixpk= 4641, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1309,1396,2095,
 igr2=1335,1336,2161,2162,
 &end
#
#  130 THR  HA          133 GLU  HB+         5.50    (#   4642:20  Unique         3.06, 3.64 A)
 &rst
  ixpk= 4642, nxpk= 20, iat=1983,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2035,2036,
 &end
#
#   75 GLU  HN           72 GLU  HB+         5.50    (#   4645:20  Unique         5.30, 5.49 A)
 &rst
  ixpk= 4645, nxpk= 20, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1068,1069,
 &end
#
#   95 PHE  HD2          94 GLN  HB-         5.50    (#   4646:20  Unique         3.66, 4.46 A)
 &rst
  ixpk= 4646, nxpk= 20, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1411,1412,
 &end
#
#   13 ARG  HE           13 ARG  HG+         5.50    (#   4647:20  Unique         2.68, 3.32 A)
 &rst
  ixpk= 4647, nxpk= 20, iat= 191,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 185, 186,
 &end
#
#   97 ARG  HN           97 ARG  HB+         5.50    (#   4648:20  Unique         2.84, 3.32 A)
 &rst
  ixpk= 4648, nxpk= 20, iat=1451,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1455,1456,
 &end
#
#   97 ARG  HN           97 ARG  HB-         5.50    (#   4649:20  Unique         2.84, 3.32 A)
 &rst
  ixpk= 4649, nxpk= 20, iat=1451,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1455,1456,
 &end
#
#   40 PHE  QD           39 VAL  HB          5.50    (#   4653:20  Unique         2.61, 4.29 A)
 &rst
  ixpk= 4653, nxpk= 20, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 596, 604,
 &end
#
#  123 SER  HN          126 ILE  HB          5.50    (#   4654:20  Unique         3.18, 3.28 A)
 &rst
  ixpk= 4654, nxpk= 20, iat=1860,1906, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 LEU  HN           17 ALA  HA          5.50    (#   4655:20  Unique         3.43, 3.49 A)
 &rst
  ixpk= 4655, nxpk= 20, iat= 279, 246, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 GLU  HN           17 ALA  HA          7.00    (#   4656:20  Unique         3.55, 3.56 A)
 &rst
  ixpk= 4656, nxpk= 20, iat= 254, 246, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  146 LYS  HN          143 LYS  HA          5.50    (#   4657:20  Unique         3.25, 3.45 A)
 &rst
  ixpk= 4657, nxpk= 20, iat=2261,2205, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  121 GLY  HN          120 PHE  HA          2.80    (#   4658:20  Unique         2.13, 2.14 A)
 &rst
  ixpk= 4658, nxpk= 20, iat=1846,1828, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   52 VAL  HN           51 ALA  HA          5.50    (#   4659:20  Unique         3.55, 3.56 A)
 &rst
  ixpk= 4659, nxpk= 20, iat= 751, 743, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  127 TYR  QD           51 ALA  HA          5.50    (#   4660:20  Unique         2.49, 3.97 A)
 &rst
  ixpk= 4660, nxpk= 20, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1929,1938,
 &end
#
#    0 AMB  20-2:4661    51 ALA  HA          5.50    (#   4661:20  Single Ambig)
 &rst
  ixpk= 4661, nxpk= 20, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 782, 767,
 &end
#
#    0 AMB  20-2:4662   150 ARG  HA          5.50    (#   4662:20  Single Ambig)
 &rst
  ixpk= 4662, nxpk= 20, iat=  -1,2343, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2351,2352,2327,2328,
 &end
#
#    0 AMB  20-2:4663     0 AMB  20-1:4663   5.50    (#   4663:20  Double Ambig)
 &rst
  ixpk= 4663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=2255,2256,2257,2251,2252,2253,
 igr2=2345,2346,2345,2346,
 &end
#
#  149 ARG  HD+         149 ARG  HA          5.50    (#   4664:20  Unique         2.44, 4.19 A)
 &rst
  ixpk= 4664, nxpk= 20, iat=  -1,2319, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2327,2328,
 &end
#
#    0 AMB  20-2:4665   148 ASP  HA          7.00    (#   4665:20  Single Ambig)
 &rst
  ixpk= 4665, nxpk= 20, iat=  -1,2307, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2287,2288,2345,2346,
 &end
#
#  147 LYS  HG+         148 ASP  HA          7.00    (#   4666:20  Unique         4.03, 5.52 A)
 &rst
  ixpk= 4666, nxpk= 20, iat=  -1,2307, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2290,2291,
 &end
#
#  147 LYS  HN          147 LYS  HE+         7.00    (#   4667:20  Unique         3.90, 4.87 A)
 &rst
  ixpk= 4667, nxpk= 20, iat=2283,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2296,2297,
 &end
#
#  147 LYS  HA          147 LYS  HG+         5.50    (#   4668:20  Unique         2.36, 2.77 A)
 &rst
  ixpk= 4668, nxpk= 20, iat=2285,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2290,2291,
 &end
#
#  147 LYS  HN            0 AMB  20-1:4669   5.50    (#   4669:20  Single Ambig)
 &rst
  ixpk= 4669, nxpk= 20, iat=2283,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=2287,2288,2265,2266,
 &end
#
#  147 LYS  HE+         147 LYS  HA          7.00    (#   4670:20  Unique         4.51, 5.07 A)
 &rst
  ixpk= 4670, nxpk= 20, iat=  -1,2285, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2296,2297,
 &end
#
#  141 LEU  HG          138 LEU  HA          5.50    (#   4671:20  Unique         4.45, 4.62 A)
 &rst
  ixpk= 4671, nxpk= 20, iat=2181,2116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  138 LEU  HG          138 LEU  HA          7.00    (#   4672:20  Unique         2.47, 2.61 A)
 &rst
  ixpk= 4672, nxpk= 20, iat=2121,2116, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  20-2:4673   138 LEU  HA          5.50    (#   4673:20  Single Ambig)
 &rst
  ixpk= 4673, nxpk= 20, iat=  -1,2116, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1687,1688,1689,1613,1614,1615,
 &end
#
#  138 LEU  HN          138 LEU  HA          5.50    (#   4674:20  Unique         2.86, 2.87 A)
 &rst
  ixpk= 4674, nxpk= 20, iat=2114,2116, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  146 LYS  HE+         146 LYS  HA          7.00    (#   4675:20  Unique         4.32, 4.93 A)
 &rst
  ixpk= 4675, nxpk= 20, iat=  -1,2263, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2274,2275,
 &end
#
#  145 LEU  HN          146 LYS  HA          7.00    (#   4676:20  Unique         5.39, 5.43 A)
 &rst
  ixpk= 4676, nxpk= 20, iat=2242,2263, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   68 PRO  HD-          68 PRO  HB-         5.50    (#   4677:20  Unique         2.80, 3.68 A)
 &rst
  ixpk= 4677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1003,1004,
 igr2=1009,1010,
 &end
#
#    0 AMB  20-2:4678     0 AMB  20-1:4678   4.50    (#   4678:20  Double Ambig)
 &rst
  ixpk= 4678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1955,1956,2274,2275,
 igr2=1949,1950,2268,2269,
 &end
#
#  144 GLN  HN          143 LYS  HG+         5.50    (#   4679:20  Unique         3.94, 4.81 A)
 &rst
  ixpk= 4679, nxpk= 20, iat=2225,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2210,2211,
 &end
#
#  144 GLN  HN          143 LYS  HG-         5.50    (#   4680:20  Unique         3.94, 4.81 A)
 &rst
  ixpk= 4680, nxpk= 20, iat=2225,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2210,2211,
 &end
#
#  146 LYS  HE+         146 LYS  HD+         4.50    (#   4681:20  Unique         2.39, 2.76 A)
 &rst
  ixpk= 4681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2274,2275,
 igr2=2271,2272,
 &end
#
#    0 AMB  20-2:4682     0 AMB  20-1:4682   3.50    (#   4682:20  Double Ambig)
 &rst
  ixpk= 4682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=2268,2269, 856, 857,
 igr2=2271,2272,1999,2000,
 &end
#
#    0 AMB  20-2:4683     0 AMB  20-1:4683   5.50    (#   4683:20  Double Ambig)
 &rst
  ixpk= 4683, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=2261, 792,
 igr2=2271,2272,1999,2000,
 &end
#
#  116 VAL  MG1          13 ARG  HD-         5.50    (#   4684:20  Unique         2.70, 4.49 A)
 &rst
  ixpk= 4684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1771,1772,1773,
 igr2= 188, 189,
 &end
#
#  148 ASP  HB-         145 LEU  HA          5.50    (#   4685:20  Unique         2.16, 4.96 A)
 &rst
  ixpk= 4685, nxpk= 20, iat=  -1,2244, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2309,2310,
 &end
#
#  148 ASP  HB+         145 LEU  HA          7.00    (#   4686:20  Unique         2.16, 4.96 A)
 &rst
  ixpk= 4686, nxpk= 20, iat=  -1,2244, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2309,2310,
 &end
#
#  145 LEU  HA          145 LEU  HG          5.50    (#   4687:20  Unique         2.85, 3.21 A)
 &rst
  ixpk= 4687, nxpk= 20, iat=2244,2249, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  146 LYS  HN          145 LEU  MD2         5.50    (#   4688:20  Unique         5.06, 5.82 A)
 &rst
  ixpk= 4688, nxpk= 20, iat=2261,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2255,2256,2257,
 &end
#
#  108 TYR  HD1         145 LEU  MD2         7.00    (#   4690:20  Unique         4.64, 6.74 A)
 &rst
  ixpk= 4690, nxpk= 20, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=2255,2256,2257,
 &end
#
#    0 AMB  20-2:4691   145 LEU  MD2         7.00    (#   4691:20  Single Ambig)
 &rst
  ixpk= 4691, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=2351,2352,2327,2328,
 igr2=2255,2256,2257,
 &end
#
#  148 ASP  HB-         145 LEU  MD2         5.50    (#   4692:20  Unique         2.73, 6.79 A)
 &rst
  ixpk= 4692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2309,2310,
 igr2=2255,2256,2257,
 &end
#
#    3 ILE  QD1         145 LEU  MD2         5.50    (#   4693:20  Unique         2.67, 5.08 A)
 &rst
  ixpk= 4693, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  46,  47,  48,
 igr2=2255,2256,2257,
 &end
#
#  141 LEU  HG          145 LEU  MD2         5.50    (#   4694:20  Unique         3.65, 5.82 A)
 &rst
  ixpk= 4694, nxpk= 20, iat=2181,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=2255,2256,2257,
 &end
#
#    3 ILE  QG2         145 LEU  MD2         7.00    (#   4695:20  Unique         4.54, 7.42 A)
 &rst
  ixpk= 4695, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1=  39,  40,  41,
 igr2=2255,2256,2257,
 &end
#
#  145 LEU  MD2         144 GLN  HA          5.50    (#   4698:20  Unique         5.13, 6.55 A)
 &rst
  ixpk= 4698, nxpk= 20, iat=  -1,2227, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=2255,2256,2257,
 &end
#
#    0 AMB  20-2:4699   144 GLN  HA          7.00    (#   4699:20  Single Ambig)
 &rst
  ixpk= 4699, nxpk= 20, iat=  -1,2227, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2210,2211,2246,2247,
 &end
#
#  144 GLN  HB-         144 GLN  HA          4.50    (#   4700:20  Unique         2.45, 2.79 A)
 &rst
  ixpk= 4700, nxpk= 20, iat=  -1,2227, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2229,2230,
 &end
#
#  141 LEU  HA          144 GLN  HB-         5.50    (#   4702:20  Unique         2.38, 3.49 A)
 &rst
  ixpk= 4702, nxpk= 20, iat=2176,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2229,2230,
 &end
#
#  144 GLN  HE2+        144 GLN  HB-         7.00    (#   4703:20  Unique         2.33, 3.82 A)
 &rst
  ixpk= 4703, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2237,2238,
 igr2=2229,2230,
 &end
#
#    0 AMB  20-2:4704     0 AMB  20-1:4704   5.50    (#   4704:20  Double Ambig)
 &rst
  ixpk= 4704, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1=1313,1314,1390,1391,1392,
 igr2=1338,1339,1338,1339,
 &end
#
#  143 LYS  HA            0 AMB  20-1:4705   5.50    (#   4705:20  Single Ambig)
 &rst
  ixpk= 4705, nxpk= 20, iat=2205,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2=2265,2266,2207,2208,
 &end
#
#  145 LEU  HN          142 ALA  HA          5.50    (#   4706:20  Unique         3.13, 3.25 A)
 &rst
  ixpk= 4706, nxpk= 20, iat=2242,2195, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  141 LEU  HG          141 LEU  HA          5.50    (#   4707:20  Unique         2.25, 2.45 A)
 &rst
  ixpk= 4707, nxpk= 20, iat=2181,2176, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  137 LEU  MD2         141 LEU  HA          7.00    (#   4708:20  Unique         6.57, 7.49 A)
 &rst
  ixpk= 4708, nxpk= 20, iat=  -1,2176, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=2108,2109,2110,
 &end
#
#    0 AMB  20-2:4709     0 AMB  20-1:4709   5.50    (#   4709:20  Double Ambig)
 &rst
  ixpk= 4709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=2135,2082,
 igr2=2137,2138,2137,2138,
 &end
#
#  139 ARG  HD+         139 ARG  HB+         5.50    (#   4710:20  Unique         2.30, 3.02 A)
 &rst
  ixpk= 4710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2143,2144,
 igr2=2137,2138,
 &end
#
#   24 ILE  QD1         139 ARG  HB-         5.50    (#   4711:20  Unique         2.53, 4.90 A)
 &rst
  ixpk= 4711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 364, 365, 366,
 igr2=2137,2138,
 &end
#
#    0 AMB  20-2:4712     0 AMB  20-1:4712   5.50    (#   4712:20  Double Ambig)
 &rst
  ixpk= 4712, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 364, 365, 366, 357, 358, 359,
 igr2=2137,2138,2137,2138,
 &end
#
#    0 AMB  20-2:4713   138 LEU  HA          5.50    (#   4713:20  Single Ambig)
 &rst
  ixpk= 4713, nxpk= 20, iat=  -1,2116, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=2102,2140,2141,
 &end
#
#  135 GLU  HN          134 LEU  HA          7.00    (#   4714:20  Unique         3.57, 3.59 A)
 &rst
  ixpk= 4714, nxpk= 20, iat=2065,2048, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  137 LEU  HN          134 LEU  HA          5.50    (#   4715:20  Unique         3.34, 3.45 A)
 &rst
  ixpk= 4715, nxpk= 20, iat=2095,2048, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:4716   134 LEU  HA          5.50    (#   4716:20  Single Ambig)
 &rst
  ixpk= 4716, nxpk= 20, iat=  -1,2048, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2099,2100,2038,2039,
 &end
#
#    0 AMB  20-2:4719     0 AMB  20-1:4719   4.50    (#   4719:20  Double Ambig)
 &rst
  ixpk= 4719, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2038,2039,2087,2088,2137,2138,
 igr2=2033,2082,
 &end
#
#  136 GLU  HN          132 ASP  HA          7.00    (#   4720:20  Unique         4.30, 4.38 A)
 &rst
  ixpk= 4720, nxpk= 20, iat=2080,2021, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  129 GLN  HA          132 ASP  HA          7.00    (#   4721:20  Unique         5.64, 5.82 A)
 &rst
  ixpk= 4721, nxpk= 20, iat=1966,2021, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  20-2:4722   132 ASP  HA          7.00    (#   4722:20  Single Ambig)
 &rst
  ixpk= 4722, nxpk= 20, iat=  -1,2021, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1997,2067,
 &end
#
#   98 TYR  HA           98 TYR  HB+         5.50    (#   4724:20  Unique         2.47, 2.76 A)
 &rst
  ixpk= 4724, nxpk= 20, iat=1477,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1479,1480,
 &end
#
#  117 LEU  HB-         130 THR  HA          7.00    (#   4725:20  Unique         2.46, 3.47 A)
 &rst
  ixpk= 4725, nxpk= 20, iat=  -1,1983, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1785,1786,
 &end
#
#  128 LYS  HN          128 LYS  HA          5.50    (#   4726:20  Unique         2.85, 2.87 A)
 &rst
  ixpk= 4726, nxpk= 20, iat=1942,1944, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  127 TYR  HD2         128 LYS  HA          7.00    (#   4728:20  Unique         6.00, 6.54 A)
 &rst
  ixpk= 4728, nxpk= 20, iat=1929,1944, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  20-2:4730   126 ILE  HB          7.00    (#   4730:20  Single Ambig)
 &rst
  ixpk= 4730, nxpk= 20, iat=  -1,1906, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1822,1864,1865,
 &end
#
#    0 AMB  20-2:4732   124 ILE  HG1-        7.00    (#   4732:20  Single Ambig)
 &rst
  ixpk= 4732, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 782,1871,
 igr2=1881,1882,
 &end
#
#    0 AMB  20-2:4733     0 AMB  20-1:4733   7.00    (#   4733:20  Double Ambig)
 &rst
  ixpk= 4733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.33, r4=11.83,
 igr1= 782,1871, 544,
 igr2=1881,1882,1881,1882, 220, 221,
 &end
#
#  127 TYR  QD          124 ILE  QD1         7.00    (#   4735:20  Unique         4.18, 5.82 A)
 &rst
  ixpk= 4735, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1929,1938,
 igr2=1884,1885,1886,
 &end
#
#  126 ILE  HN          124 ILE  QD1         7.00    (#   4736:20  Unique         5.49, 6.56 A)
 &rst
  ixpk= 4736, nxpk= 20, iat=1902,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1884,1885,1886,
 &end
#
#  115 ASP  HB+         118 ASP  HA          7.00    (#   4737:20  Unique         5.23, 6.80 A)
 &rst
  ixpk= 4737, nxpk= 20, iat=  -1,1802, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1757,1758,
 &end
#
#   59 HIS  HB-          59 HIS  HA          5.50    (#   4738:20  Unique         2.31, 2.72 A)
 &rst
  ixpk= 4738, nxpk= 20, iat=  -1, 870, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 872, 873,
 &end
#
#   59 HIS  HB+          59 HIS  HA          5.50    (#   4739:20  Unique         2.31, 2.72 A)
 &rst
  ixpk= 4739, nxpk= 20, iat=  -1, 870, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 872, 873,
 &end
#
#  116 VAL  HB          117 LEU  HB+         7.00    (#   4740:20  Unique         4.21, 5.32 A)
 &rst
  ixpk= 4740, nxpk= 20, iat=1769,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1785,1786,
 &end
#
#    0 AMB  20-2:4741   117 LEU  MD1         7.00    (#   4741:20  Single Ambig)
 &rst
  ixpk= 4741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1964,1921,
 igr2=1790,1791,1792,
 &end
#
#  118 ASP  HB+         117 LEU  MD2         5.50    (#   4742:20  Unique         4.00, 6.20 A)
 &rst
  ixpk= 4742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1804,1805,
 igr2=1794,1795,1796,
 &end
#
#    0 AMB  20-2:4743   117 LEU  MD2         5.50    (#   4743:20  Single Ambig)
 &rst
  ixpk= 4743, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=2035,2036,1971,1972,
 igr2=1794,1795,1796,
 &end
#
#  129 GLN  HG+         117 LEU  MD2         5.50    (#   4744:20  Unique         4.75, 6.59 A)
 &rst
  ixpk= 4744, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1971,1972,
 igr2=1794,1795,1796,
 &end
#
#  118 ASP  HB-         117 LEU  MD2         6.00    (#   4745:20  Unique         4.00, 6.20 A)
 &rst
  ixpk= 4745, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1804,1805,
 igr2=1794,1795,1796,
 &end
#
#  117 LEU  HB+         117 LEU  MD2         4.50    (#   4746:20  Unique         2.35, 3.51 A)
 &rst
  ixpk= 4746, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1785,1786,
 igr2=1794,1795,1796,
 &end
#
#    0 AMB  20-2:4747   117 LEU  MD2         4.50    (#   4747:20  Single Ambig)
 &rst
  ixpk= 4747, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1785,1786,1819,1820,
 igr2=1794,1795,1796,
 &end
#
#  117 LEU  HG          117 LEU  MD2         4.50    (#   4748:20  Unique         2.38, 2.66 A)
 &rst
  ixpk= 4748, nxpk= 20, iat=1788,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1794,1795,1796,
 &end
#
#  107 GLU  HA          113 HIS  HA          4.00    (#   4750:20  Unique         3.37, 3.97 A)
 &rst
  ixpk= 4750, nxpk= 20, iat=1647,1731, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  113 HIS  HB+         113 HIS  HA          2.60    (#   4751:20  Unique         2.36, 2.56 A)
 &rst
  ixpk= 4751, nxpk= 20, iat=  -1,1731, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,
 igr1=1733,1734,
 &end
#
#  113 HIS  HN          112 SER  HB-         5.50    (#   4752:20  Unique         2.19, 3.57 A)
 &rst
  ixpk= 4752, nxpk= 20, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1722,1723,
 &end
#
#  113 HIS  HN          112 SER  HB+         5.50    (#   4753:20  Unique         2.19, 3.57 A)
 &rst
  ixpk= 4753, nxpk= 20, iat=1729,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1722,1723,
 &end
#
#  110 THR  MG2         110 THR  HA          5.50    (#   4757:20  Unique         2.35, 3.01 A)
 &rst
  ixpk= 4757, nxpk= 20, iat=  -1,1699, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1703,1704,1705,
 &end
#
#  109 VAL  MG1         110 THR  HA          5.50    (#   4758:20  Unique         3.70, 5.11 A)
 &rst
  ixpk= 4758, nxpk= 20, iat=  -1,1699, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1687,1688,1689,
 &end
#
#  110 THR  HB          110 THR  HA          5.50    (#   4761:20  Unique         2.41, 2.57 A)
 &rst
  ixpk= 4761, nxpk= 20, iat=1701,1699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  111 GLY  HN          110 THR  HA          7.00    (#   4764:20  Unique         3.28, 3.35 A)
 &rst
  ixpk= 4764, nxpk= 20, iat=1711,1699, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  109 VAL  HN          110 THR  HA          7.00    (#   4765:20  Unique         4.92, 5.05 A)
 &rst
  ixpk= 4765, nxpk= 20, iat=1681,1699, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  110 THR  HN          110 THR  HB          7.00    (#   4766:20  Unique         3.43, 3.65 A)
 &rst
  ixpk= 4766, nxpk= 20, iat=1697,1701, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  112 SER  HN          110 THR  HB          7.00    (#   4767:20  Unique         3.37, 3.93 A)
 &rst
  ixpk= 4767, nxpk= 20, iat=1718,1701, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  110 THR  HA          110 THR  HB          5.50    (#   4768:20  Unique         2.41, 2.57 A)
 &rst
  ixpk= 4768, nxpk= 20, iat=1699,1701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   84 THR  HA           84 THR  HB          5.50    (#   4770:20  Unique         2.34, 2.47 A)
 &rst
  ixpk= 4770, nxpk= 20, iat=1246,1248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85 HIS  HN           84 THR  HB          5.50    (#   4771:20  Unique         2.39, 2.63 A)
 &rst
  ixpk= 4771, nxpk= 20, iat=1258,1248, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  112 SER  HB-         110 THR  MG2         7.00    (#   4772:20  Unique         5.06, 7.10 A)
 &rst
  ixpk= 4772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1722,1723,
 igr2=1703,1704,1705,
 &end
#
#  144 GLN  HE2+        109 VAL  HA          7.00    (#   4773:20  Unique         2.18, 2.96 A)
 &rst
  ixpk= 4773, nxpk= 20, iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2237,2238,
 &end
#
#  144 GLN  HE2-        109 VAL  HA          5.50    (#   4774:20  Unique         2.18, 2.96 A)
 &rst
  ixpk= 4774, nxpk= 20, iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2237,2238,
 &end
#
#  108 TYR  HD1         109 VAL  HA          5.50    (#   4775:20  Unique         3.60, 4.06 A)
 &rst
  ixpk= 4775, nxpk= 20, iat=1668,1683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  108 TYR  HB+         109 VAL  HA          7.00    (#   4776:20  Unique         4.15, 5.06 A)
 &rst
  ixpk= 4776, nxpk= 20, iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1664,1665,
 &end
#
#  144 GLN  HG-         109 VAL  HA          7.00    (#   4777:20  Unique         2.35, 4.27 A)
 &rst
  ixpk= 4777, nxpk= 20, iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2232,2233,
 &end
#
#    0 AMB  20-2:4778   109 VAL  HA          5.50    (#   4778:20  Single Ambig)
 &rst
  ixpk= 4778, nxpk= 20, iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2183,2184,2185,2104,2105,2106,
 &end
#
#  140 GLN  HE2-        109 VAL  MG1         7.00    (#   4779:20  Unique         2.60, 3.82 A)
 &rst
  ixpk= 4779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=2169,2170,
 igr2=1687,1688,1689,
 &end
#
#   47 ALA  HN           52 VAL  MG2         7.00    (#   4780:20  Unique         4.88, 6.01 A)
 &rst
  ixpk= 4780, nxpk= 20, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 761, 762, 763,
 &end
#
#    0 AMB  20-2:4781     0 AMB  20-1:4781   5.50    (#   4781:20  Double Ambig)
 &rst
  ixpk= 4781, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 937, 938,1664,1665,
 igr2= 761, 762, 763,1687,1688,1689,
 &end
#
#  109 VAL  MG2         108 TYR  HA          7.00    (#   4782:20  Unique         4.66, 5.50 A)
 &rst
  ixpk= 4782, nxpk= 20, iat=  -1,1662, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1691,1692,1693,
 &end
#
#  108 TYR  HN          108 TYR  HB+         5.50    (#   4783:20  Unique         2.33, 2.47 A)
 &rst
  ixpk= 4783, nxpk= 20, iat=1660,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1664,1665,
 &end
#
#  108 TYR  QE          108 TYR  HB+         7.00    (#   4784:20  Unique         4.67, 5.11 A)
 &rst
  ixpk= 4784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1670,1675,
 igr2=1664,1665,
 &end
#
#  109 VAL  MG2         108 TYR  HB-         7.00    (#   4785:20  Unique         2.45, 4.22 A)
 &rst
  ixpk= 4785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1691,1692,1693,
 igr2=1664,1665,
 &end
#
#  108 TYR  HB+         108 TYR  HA          5.50    (#   4786:20  Unique         2.49, 2.77 A)
 &rst
  ixpk= 4786, nxpk= 20, iat=  -1,1662, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1664,1665,
 &end
#
#  107 GLU  HG+         107 GLU  HA          7.00    (#   4787:20  Unique         2.64, 2.96 A)
 &rst
  ixpk= 4787, nxpk= 20, iat=  -1,1647, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1652,1653,
 &end
#
#  108 TYR  HN          107 GLU  HG+         5.50    (#   4788:20  Unique         3.54, 4.18 A)
 &rst
  ixpk= 4788, nxpk= 20, iat=1660,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1652,1653,
 &end
#
#    0 AMB  20-2:4789     0 AMB  20-1:4789   5.50    (#   4789:20  Double Ambig)
 &rst
  ixpk= 4789, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1645,1729,
 igr2=1627,1628,1627,1628,
 &end
#
#    0 AMB  20-2:4790     0 AMB  20-1:4790   7.00    (#   4790:20  Double Ambig)
 &rst
  ixpk= 4790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
 igr1=1636,1637,1652,1653,
 igr2=1627,1628,1627,1628,
 &end
#
#  106 LYS  HA          106 LYS  HG+         5.50    (#   4791:20  Unique         2.78, 3.38 A)
 &rst
  ixpk= 4791, nxpk= 20, iat=1625,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1630,1631,
 &end
#
#  106 LYS  HN          106 LYS  HG+         7.00    (#   4792:20  Unique         2.43, 3.21 A)
 &rst
  ixpk= 4792, nxpk= 20, iat=1623,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1630,1631,
 &end
#
#  105 LEU  HG          105 LEU  HA          5.50    (#   4793:20  Unique         2.90, 3.11 A)
 &rst
  ixpk= 4793, nxpk= 20, iat=1611,1606, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81 LEU  MD1         105 LEU  HG          5.50    (#   4797:20  Unique         5.48, 6.66 A)
 &rst
  ixpk= 4797, nxpk= 20, iat=  -1,1611, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1207,1208,1209,
 &end
#
#  105 LEU  HB-         105 LEU  HG          4.50    (#   4798:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 4798, nxpk= 20, iat=  -1,1611, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1608,1609,
 &end
#
#  105 LEU  HA          104 THR  HA          7.00    (#   4800:20  Unique         4.15, 4.22 A)
 &rst
  ixpk= 4800, nxpk= 20, iat=1606,1592, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  20-2:4801   104 THR  HA          5.50    (#   4801:20  Single Ambig)
 &rst
  ixpk= 4801, nxpk= 20, iat=  -1,1592, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1221,1222,1223,1313,1314,
 &end
#
#    0 AMB  20-2:4802   104 THR  HA          5.50    (#   4802:20  Single Ambig)
 &rst
  ixpk= 4802, nxpk= 20, iat=  -1,1592, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1316,1317,1613,1614,1615,
 &end
#
#  103 PHE  QD          103 PHE  HA          5.50    (#   4803:20  Unique         3.11, 3.58 A)
 &rst
  ixpk= 4803, nxpk= 20, iat=  -1,1572, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1578,1586,
 &end
#
#  103 PHE  HB+         103 PHE  HA          5.50    (#   4804:20  Unique         2.47, 2.77 A)
 &rst
  ixpk= 4804, nxpk= 20, iat=  -1,1572, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1574,1575,
 &end
#
#  103 PHE  HB-         103 PHE  HA          5.50    (#   4806:20  Unique         2.47, 2.77 A)
 &rst
  ixpk= 4806, nxpk= 20, iat=  -1,1572, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1574,1575,
 &end
#
#    0 AMB  20-2:4807   103 PHE  HA          7.00    (#   4807:20  Single Ambig)
 &rst
  ixpk= 4807, nxpk= 20, iat=  -1,1572, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1649,1650,1652,1653,
 &end
#
#   88 LYS  QD          103 PHE  HA          5.50    (#   4808:20  Unique         2.51, 3.86 A)
 &rst
  ixpk= 4808, nxpk= 20, iat=  -1,1572, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1319,1320,
 &end
#
#   88 LYS  QG          103 PHE  HA          7.00    (#   4809:20  Unique         3.85, 5.27 A)
 &rst
  ixpk= 4809, nxpk= 20, iat=  -1,1572, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1316,1317,
 &end
#
#  103 PHE  HN          103 PHE  HB-         7.00    (#   4810:20  Unique         2.64, 3.27 A)
 &rst
  ixpk= 4810, nxpk= 20, iat=1570,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1574,1575,
 &end
#
#  102 VAL  MG2         102 VAL  HA          5.50    (#   4812:20  Unique         2.82, 3.46 A)
 &rst
  ixpk= 4812, nxpk= 20, iat=  -1,1556, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1564,1565,1566,
 &end
#
#  103 PHE  HN          102 VAL  HB          5.50    (#   4813:20  Unique         3.32, 3.81 A)
 &rst
  ixpk= 4813, nxpk= 20, iat=1570,1558, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:4814   100 ASP  HA          7.00    (#   4814:20  Single Ambig)
 &rst
  ixpk= 4814, nxpk= 20, iat=  -1,1522, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1496,1580,1584,
 &end
#
#  102 VAL  HN          100 ASP  HA          5.50    (#   4815:20  Unique         3.82, 3.94 A)
 &rst
  ixpk= 4815, nxpk= 20, iat=1554,1522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   99 ARG  HA          100 ASP  HA          5.50    (#   4816:20  Unique         4.89, 4.92 A)
 &rst
  ixpk= 4816, nxpk= 20, iat=1498,1522, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   99 ARG  HG-         100 ASP  HA          5.50    (#   4818:20  Unique         3.69, 5.13 A)
 &rst
  ixpk= 4818, nxpk= 20, iat=  -1,1522, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1503,1504,
 &end
#
#   99 ARG  HG+         100 ASP  HA          7.00    (#   4819:20  Unique         3.69, 5.13 A)
 &rst
  ixpk= 4819, nxpk= 20, iat=  -1,1522, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1503,1504,
 &end
#
#    0 AMB  20-2:4820   100 ASP  HA          5.50    (#   4820:20  Single Ambig)
 &rst
  ixpk= 4820, nxpk= 20, iat=  -1,1522, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1500,1501,1558,
 &end
#
#  102 VAL  MG2         100 ASP  HA          7.00    (#   4822:20  Unique         5.47, 6.65 A)
 &rst
  ixpk= 4822, nxpk= 20, iat=  -1,1522, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1564,1565,1566,
 &end
#
#   98 TYR  HN           98 TYR  HA          5.50    (#   4823:20  Unique         2.88, 2.94 A)
 &rst
  ixpk= 4823, nxpk= 20, iat=1475,1477, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100 ASP  HN           98 TYR  HA          5.50    (#   4824:20  Unique         3.20, 3.44 A)
 &rst
  ixpk= 4824, nxpk= 20, iat=1520,1477, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   99 ARG  HN           98 TYR  HA          5.50    (#   4825:20  Unique         2.69, 2.85 A)
 &rst
  ixpk= 4825, nxpk= 20, iat=1496,1477, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98 TYR  HB-          98 TYR  HA          5.50    (#   4826:20  Unique         2.47, 2.76 A)
 &rst
  ixpk= 4826, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1479,1480,
 &end
#
#   98 TYR  HB+          98 TYR  HA          5.50    (#   4827:20  Unique         2.47, 2.76 A)
 &rst
  ixpk= 4827, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1479,1480,
 &end
#
#    0 AMB  20-2:4828    98 TYR  HA          5.50    (#   4828:20  Single Ambig)
 &rst
  ixpk= 4828, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1500,1501,1536,1537,
 &end
#
#    0 AMB  20-2:4829    98 TYR  HA          5.50    (#   4829:20  Single Ambig)
 &rst
  ixpk= 4829, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1109,1110,1111,1503,1504,
 &end
#
#   97 ARG  HG+          98 TYR  HA          7.00    (#   4830:20  Unique         4.80, 5.59 A)
 &rst
  ixpk= 4830, nxpk= 20, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1458,1459,
 &end
#
#   98 TYR  HA           98 TYR  HB-         5.50    (#   4831:20  Unique         2.47, 2.76 A)
 &rst
  ixpk= 4831, nxpk= 20, iat=1477,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1479,1480,
 &end
#
#    0 AMB  20-2:4841   101 LYS  HA          5.50    (#   4841:20  Single Ambig)
 &rst
  ixpk= 4841, nxpk= 20, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1182,1520,
 &end
#
#  101 LYS  HB+         101 LYS  HA          5.50    (#   4842:20  Unique         2.32, 2.62 A)
 &rst
  ixpk= 4842, nxpk= 20, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1536,1537,
 &end
#
#  101 LYS  HB-         101 LYS  HA          5.50    (#   4843:20  Unique         2.32, 2.62 A)
 &rst
  ixpk= 4843, nxpk= 20, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1536,1537,
 &end
#
#  101 LYS  HG+         101 LYS  HA          5.50    (#   4844:20  Unique         2.36, 3.25 A)
 &rst
  ixpk= 4844, nxpk= 20, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1539,1540,
 &end
#
#    0 AMB  20-2:4846   101 LYS  HA          7.00    (#   4846:20  Single Ambig)
 &rst
  ixpk= 4846, nxpk= 20, iat=  -1,1534, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1192,1193,1194,1176,1177,1178,
 &end
#
#   98 TYR  QD          101 LYS  HG+         7.00    (#   4847:20  Unique         5.72, 7.53 A)
 &rst
  ixpk= 4847, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1483,1492,
 igr2=1539,1540,
 &end
#
#   98 TYR  QD          101 LYS  HG-         7.00    (#   4848:20  Unique         5.72, 7.53 A)
 &rst
  ixpk= 4848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1483,1492,
 igr2=1539,1540,
 &end
#
#   89 GLN  HA           99 ARG  HG-         7.00    (#   4849:20  Unique         4.20, 5.57 A)
 &rst
  ixpk= 4849, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1503,1504,
 &end
#
#   89 GLN  HA           99 ARG  HG+         5.50    (#   4850:20  Unique         4.20, 5.57 A)
 &rst
  ixpk= 4850, nxpk= 20, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1503,1504,
 &end
#
#  100 ASP  HA           99 ARG  HG-         5.50    (#   4851:20  Unique         3.69, 5.13 A)
 &rst
  ixpk= 4851, nxpk= 20, iat=1522,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1503,1504,
 &end
#
#  100 ASP  HA           99 ARG  HG+         7.00    (#   4852:20  Unique         3.69, 5.13 A)
 &rst
  ixpk= 4852, nxpk= 20, iat=1522,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1503,1504,
 &end
#
#   98 TYR  HN           99 ARG  HG+         7.00    (#   4853:20  Unique         4.66, 6.46 A)
 &rst
  ixpk= 4853, nxpk= 20, iat=1475,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1503,1504,
 &end
#
#   98 TYR  HN           99 ARG  HG-         7.00    (#   4854:20  Unique         4.66, 6.46 A)
 &rst
  ixpk= 4854, nxpk= 20, iat=1475,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1503,1504,
 &end
#
#  100 ASP  HN           99 ARG  HG+         5.50    (#   4855:20  Unique         3.03, 4.72 A)
 &rst
  ixpk= 4855, nxpk= 20, iat=1520,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1503,1504,
 &end
#
#   92 ALA  MB           99 ARG  HG+         5.50    (#   4856:20  Unique         2.12, 4.21 A)
 &rst
  ixpk= 4856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1390,1391,1392,
 igr2=1503,1504,
 &end
#
#   97 ARG  HD+          97 ARG  HA          5.50    (#   4858:20  Unique         2.19, 4.20 A)
 &rst
  ixpk= 4858, nxpk= 20, iat=  -1,1453, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1461,1462,
 &end
#
#   98 TYR  HA           97 ARG  HA          7.00    (#   4859:20  Unique         4.49, 4.57 A)
 &rst
  ixpk= 4859, nxpk= 20, iat=1477,1453, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   95 PHE  HN           95 PHE  HA          5.50    (#   4860:20  Unique         2.93, 2.94 A)
 &rst
  ixpk= 4860, nxpk= 20, iat=1424,1426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 PHE  HD2          95 PHE  HA          5.50    (#   4861:20  Unique         2.08, 2.11 A)
 &rst
  ixpk= 4861, nxpk= 20, iat=1440,1426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:4862    95 PHE  HA          5.50    (#   4862:20  Single Ambig)
 &rst
  ixpk= 4862, nxpk= 20, iat=  -1,1426, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1434,1438,1483,1492,
 &end
#
#   94 GLN  HA           95 PHE  HA          5.50    (#   4863:20  Unique         4.64, 4.66 A)
 &rst
  ixpk= 4863, nxpk= 20, iat=1409,1426, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 PHE  HB-          95 PHE  HA          5.50    (#   4864:20  Unique         2.49, 2.77 A)
 &rst
  ixpk= 4864, nxpk= 20, iat=  -1,1426, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1428,1429,
 &end
#
#   95 PHE  HB+          95 PHE  HA          5.50    (#   4865:20  Unique         2.49, 2.77 A)
 &rst
  ixpk= 4865, nxpk= 20, iat=  -1,1426, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1428,1429,
 &end
#
#   74 MET  HE           95 PHE  HA          7.00    (#   4866:20  Unique         5.56, 6.97 A)
 &rst
  ixpk= 4866, nxpk= 20, iat=  -1,1426, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1109,1110,1111,
 &end
#
#    0 AMB  20-2:4867     0 AMB  20-1:4867   4.50    (#   4867:20  Double Ambig)
 &rst
  ixpk= 4867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 450, 451, 452,1354,1355,1356,
 igr2= 423, 424,1411,1412,
 &end
#
#   95 PHE  QD           94 GLN  HG+         7.00    (#   4869:20  Unique         2.89, 4.23 A)
 &rst
  ixpk= 4869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1432,1440,
 igr2=1414,1415,
 &end
#
#   95 PHE  HN           92 ALA  HA          5.50    (#   4870:20  Unique         3.41, 3.61 A)
 &rst
  ixpk= 4870, nxpk= 20, iat=1424,1388, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:4871    92 ALA  HA          5.50    (#   4871:20  Single Ambig)
 &rst
  ixpk= 4871, nxpk= 20, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1400,1401,1409,
 &end
#
#   95 PHE  HB+          92 ALA  HA          7.00    (#   4872:20  Unique         2.88, 4.02 A)
 &rst
  ixpk= 4872, nxpk= 20, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1428,1429,
 &end
#
#    0 AMB  20-2:4873    92 ALA  HA          5.50    (#   4873:20  Single Ambig)
 &rst
  ixpk= 4873, nxpk= 20, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1503,1504,1371,
 &end
#
#  102 VAL  MG2          92 ALA  HA          5.50    (#   4874:20  Unique         4.41, 5.57 A)
 &rst
  ixpk= 4874, nxpk= 20, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1564,1565,1566,
 &end
#
#    0 AMB  20-2:4875    92 ALA  HA          5.50    (#   4875:20  Single Ambig)
 &rst
  ixpk= 4875, nxpk= 20, iat=  -1,1388, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1373,1374,1375,1458,1459,
 &end
#
#    0 AMB  20-2:4876    91 ILE  HB          5.50    (#   4876:20  Single Ambig)
 &rst
  ixpk= 4876, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1390,1391,1392,1313,1314,
 &end
#
#   95 PHE  HA           91 ILE  QG2         7.00    (#   4877:20  Unique         6.30, 6.92 A)
 &rst
  ixpk= 4877, nxpk= 20, iat=1426,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1373,1374,1375,
 &end
#
#  102 VAL  HA           91 ILE  QG2         7.00    (#   4878:20  Unique         5.18, 6.23 A)
 &rst
  ixpk= 4878, nxpk= 20, iat=1556,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1373,1374,1375,
 &end
#
#  102 VAL  HN           91 ILE  QG2         7.00    (#   4879:20  Unique         5.70, 6.56 A)
 &rst
  ixpk= 4879, nxpk= 20, iat=1554,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1373,1374,1375,
 &end
#
#   95 PHE  HN           91 ILE  QG2         5.50    (#   4880:20  Unique         4.63, 5.27 A)
 &rst
  ixpk= 4880, nxpk= 20, iat=1424,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1373,1374,1375,
 &end
#
#   91 ILE  HN           91 ILE  QG2         5.50    (#   4881:20  Unique         4.39, 4.54 A)
 &rst
  ixpk= 4881, nxpk= 20, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1373,1374,1375,
 &end
#
#   94 GLN  HN           91 ILE  QG2         7.00    (#   4882:20  Unique         5.47, 5.98 A)
 &rst
  ixpk= 4882, nxpk= 20, iat=1407,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1373,1374,1375,
 &end
#
#   86 GLN  HE2-         90 ILE  QD1         7.00    (#   4883:20  Unique         2.83, 4.77 A)
 &rst
  ixpk= 4883, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1287,1288,
 igr2=1361,1362,1363,
 &end
#
#    0 AMB  20-2:4884    90 ILE  QD1         7.00    (#   4884:20  Single Ambig)
 &rst
  ixpk= 4884, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1309,1396,
 igr2=1361,1362,1363,
 &end
#
#    0 AMB  20-2:4885     0 AMB  20-1:4885   7.00    (#   4885:20  Double Ambig)
 &rst
  ixpk= 4885, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
 igr1=1335,1336,1414,1415,
 igr2=1358,1359,1377,1378,
 &end
#
#   90 ILE  QG2          90 ILE  HB          5.50    (#   4886:20  Unique         2.44, 2.68 A)
 &rst
  ixpk= 4886, nxpk= 20, iat=  -1,1352, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1354,1355,1356,
 &end
#
#   89 GLN  HG+          89 GLN  HA          5.50    (#   4887:20  Unique         2.55, 2.84 A)
 &rst
  ixpk= 4887, nxpk= 20, iat=  -1,1333, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1338,1339,
 &end
#
#   89 GLN  HE2+         89 GLN  HG+         5.50    (#   4888:20  Unique         2.30, 3.43 A)
 &rst
  ixpk= 4888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1343,1344,
 igr2=1338,1339,
 &end
#
#   88 LYS  HA           88 LYS  HB+         5.50    (#   4889:20  Unique         2.34, 2.75 A)
 &rst
  ixpk= 4889, nxpk= 20, iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1313,1314,
 &end
#
#   88 LYS  HN           88 LYS  HB+         5.50    (#   4890:20  Unique         2.33, 2.52 A)
 &rst
  ixpk= 4890, nxpk= 20, iat=1309,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1313,1314,
 &end
#
#   89 GLN  HN           88 LYS  HB+         7.00    (#   4891:20  Unique         2.55, 3.32 A)
 &rst
  ixpk= 4891, nxpk= 20, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1313,1314,
 &end
#
#   82 ALA  MB           82 ALA  HA          5.50    (#   4892:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 4892, nxpk= 20, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1221,1222,1223,
 &end
#
#    6 VAL  HB           82 ALA  HA          5.50    (#   4893:20  Unique         4.69, 4.80 A)
 &rst
  ixpk= 4893, nxpk= 20, iat=  95,1219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:4894    82 ALA  HA          7.00    (#   4894:20  Single Ambig)
 &rst
  ixpk= 4894, nxpk= 20, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1=1234,1235,1238,1239,1240,
 &end
#
#    6 VAL  MG2          82 ALA  HA          5.50    (#   4895:20  Unique         3.12, 4.76 A)
 &rst
  ixpk= 4895, nxpk= 20, iat=  -1,1219, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 101, 102, 103,
 &end
#
#   85 HIS  HA           85 HIS  HB+         5.50    (#   4899:20  Unique         2.39, 2.72 A)
 &rst
  ixpk= 4899, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1262,1263,
 &end
#
#   85 HIS  HA           85 HIS  HB-         5.50    (#   4900:20  Unique         2.39, 2.72 A)
 &rst
  ixpk= 4900, nxpk= 20, iat=1260,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1262,1263,
 &end
#
#  104 THR  MG2          85 HIS  HB+         7.00    (#   4901:20  Unique         2.54, 4.79 A)
 &rst
  ixpk= 4901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1596,1597,1598,
 igr2=1262,1263,
 &end
#
#  104 THR  MG2          85 HIS  HB-         7.00    (#   4902:20  Unique         2.54, 4.79 A)
 &rst
  ixpk= 4902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1596,1597,1598,
 igr2=1262,1263,
 &end
#
#   85 HIS  HD2          85 HIS  HB+         7.00    (#   4903:20  Unique         2.59, 3.25 A)
 &rst
  ixpk= 4903, nxpk= 20, iat=1271,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1262,1263,
 &end
#
#   85 HIS  HD2          85 HIS  HB-         7.00    (#   4904:20  Unique         2.59, 3.25 A)
 &rst
  ixpk= 4904, nxpk= 20, iat=1271,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1262,1263,
 &end
#
#   86 GLN  HN           85 HIS  HB+         7.00    (#   4905:20  Unique         2.81, 3.60 A)
 &rst
  ixpk= 4905, nxpk= 20, iat=1275,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1262,1263,
 &end
#
#   85 HIS  HN           85 HIS  HB+         5.50    (#   4906:20  Unique         2.25, 2.70 A)
 &rst
  ixpk= 4906, nxpk= 20, iat=1258,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1262,1263,
 &end
#
#   85 HIS  HN           85 HIS  HB-         5.50    (#   4907:20  Unique         2.25, 2.70 A)
 &rst
  ixpk= 4907, nxpk= 20, iat=1258,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1262,1263,
 &end
#
#   86 GLN  HB+          84 THR  HB          7.00    (#   4908:20  Unique         2.77, 4.07 A)
 &rst
  ixpk= 4908, nxpk= 20, iat=  -1,1248, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1279,1280,
 &end
#
#    0 AMB  20-2:4910    80 VAL  HA          7.00    (#   4910:20  Single Ambig)
 &rst
  ixpk= 4910, nxpk= 20, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1172,1173,1174,1207,1208,1209,
 &end
#
#    3 ILE  QD1          79 LEU  HB+         5.50    (#   4911:20  Unique         4.06, 5.14 A)
 &rst
  ixpk= 4911, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  46,  47,  48,
 igr2=1167,1168,
 &end
#
#    0 AMB  20-2:4912    79 LEU  HA          5.50    (#   4912:20  Single Ambig)
 &rst
  ixpk= 4912, nxpk= 20, iat=  -1,1165, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=  43,  44,1564,1565,1566,
 &end
#
#    0 AMB  20-2:4913    79 LEU  HA          5.50    (#   4913:20  Single Ambig)
 &rst
  ixpk= 4913, nxpk= 20, iat=  -1,1165, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1163,1580,1584,
 &end
#
#   79 LEU  HN           77 ALA  HA          5.50    (#   4914:20  Unique         4.15, 4.22 A)
 &rst
  ixpk= 4914, nxpk= 20, iat=1163,1143, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    2 ASP  HN           77 ALA  HA          7.00    (#   4915:20  Unique         4.25, 4.49 A)
 &rst
  ixpk= 4915, nxpk= 20, iat=  21,1143, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    4 ILE  QD1          77 ALA  HA          5.50    (#   4916:20  Unique         4.60, 5.46 A)
 &rst
  ixpk= 4916, nxpk= 20, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  65,  66,  67,
 &end
#
#   76 SER  HN           76 SER  HB-         5.50    (#   4917:20  Unique         2.52, 3.07 A)
 &rst
  ixpk= 4917, nxpk= 20, iat=1130,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1134,1135,
 &end
#
#   76 SER  HA           76 SER  HB-         5.50    (#   4918:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 4918, nxpk= 20, iat=1132,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1134,1135,
 &end
#
#    0 AMB  20-2:4919    76 SER  HA          4.50    (#   4919:20  Single Ambig)
 &rst
  ixpk= 4919, nxpk= 20, iat=  -1,1132, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1134,1135,1134,1135,
 &end
#
#    0 AMB  20-2:4920    75 GLU  HA          7.00    (#   4920:20  Single Ambig)
 &rst
  ixpk= 4920, nxpk= 20, iat=  -1,1117, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1100,1134,1135,
 &end
#
#   76 SER  HA           75 GLU  HA          7.00    (#   4921:20  Unique         4.74, 4.78 A)
 &rst
  ixpk= 4921, nxpk= 20, iat=1132,1117, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   73 LEU  HN           75 GLU  HB+         5.50    (#   4924:20  Unique         5.06, 6.08 A)
 &rst
  ixpk= 4924, nxpk= 20, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1119,1120,
 &end
#
#   73 LEU  HN           75 GLU  HB-         5.50    (#   4925:20  Unique         5.06, 6.08 A)
 &rst
  ixpk= 4925, nxpk= 20, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1119,1120,
 &end
#
#   72 GLU  HA           75 GLU  HB+         5.50    (#   4926:20  Unique         2.49, 3.52 A)
 &rst
  ixpk= 4926, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1119,1120,
 &end
#
#   75 GLU  HA           75 GLU  HB+         5.50    (#   4927:20  Unique         2.57, 2.81 A)
 &rst
  ixpk= 4927, nxpk= 20, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1119,1120,
 &end
#
#   75 GLU  HA           75 GLU  HB-         5.50    (#   4928:20  Unique         2.57, 2.81 A)
 &rst
  ixpk= 4928, nxpk= 20, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1119,1120,
 &end
#
#   76 SER  HN           75 GLU  HG+         5.50    (#   4931:20  Unique         4.66, 5.05 A)
 &rst
  ixpk= 4931, nxpk= 20, iat=1130,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1122,1123,
 &end
#
#    0 AMB  20-2:4932     0 AMB  20-1:4932   5.50    (#   4932:20  Double Ambig)
 &rst
  ixpk= 4932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1066, 784,
 igr2=1122,1123, 774, 775,
 &end
#
#   72 GLU  HA           75 GLU  HG-         5.50    (#   4933:20  Unique         3.75, 4.57 A)
 &rst
  ixpk= 4933, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1122,1123,
 &end
#
#    0 AMB  20-2:4934    74 MET  HA          5.50    (#   4934:20  Single Ambig)
 &rst
  ixpk= 4934, nxpk= 20, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1025,1026,1027,1192,1193,1194,
 &end
#
#    0 AMB  20-2:4935    74 MET  HA          5.50    (#   4935:20  Single Ambig)
 &rst
  ixpk= 4935, nxpk= 20, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1102,1103,1145,1146,1147,
 &end
#
#   74 MET  HG+          74 MET  HA          5.50    (#   4936:20  Unique         3.56, 3.92 A)
 &rst
  ixpk= 4936, nxpk= 20, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1105,1106,
 &end
#
#    0 AMB  20-2:4937    74 MET  HA          5.50    (#   4937:20  Single Ambig)
 &rst
  ixpk= 4937, nxpk= 20, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1109,1110,1111,1542,1543,1083,1084,
 &end
#
#   69 LEU  HB+          69 LEU  HA          5.50    (#   4938:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 4938, nxpk= 20, iat=  -1,1018, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1020,1021,
 &end
#
#   70 THR  HN           69 LEU  HA          5.50    (#   4939:20  Unique         2.13, 2.17 A)
 &rst
  ixpk= 4939, nxpk= 20, iat=1035,1018, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 LEU  HN           69 LEU  HA          5.50    (#   4940:20  Unique         2.92, 2.96 A)
 &rst
  ixpk= 4940, nxpk= 20, iat=1016,1018, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 SER  HN           73 LEU  HA          5.50    (#   4941:20  Unique         3.19, 3.26 A)
 &rst
  ixpk= 4941, nxpk= 20, iat=1130,1081, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 GLU  HG+          73 LEU  HA          7.00    (#   4942:20  Unique         3.75, 4.42 A)
 &rst
  ixpk= 4942, nxpk= 20, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1071,1072,
 &end
#
#    0 AMB  20-2:4943    73 LEU  HA          7.00    (#   4943:20  Single Ambig)
 &rst
  ixpk= 4943, nxpk= 20, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1068,1069,1119,1120,
 &end
#
#    4 ILE  QD1          73 LEU  HA          5.50    (#   4945:20  Unique         4.22, 5.12 A)
 &rst
  ixpk= 4945, nxpk= 20, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  65,  66,  67,
 &end
#
#   69 LEU  MD1          73 LEU  HA          7.00    (#   4946:20  Unique         5.50, 5.98 A)
 &rst
  ixpk= 4946, nxpk= 20, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1025,1026,1027,
 &end
#
#   70 THR  HN           73 LEU  HG          5.50    (#   4948:20  Unique         4.64, 4.75 A)
 &rst
  ixpk= 4948, nxpk= 20, iat=1035,1086, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 ARG  HB+          73 LEU  MD1         5.50    (#   4949:20  Unique         2.80, 4.55 A)
 &rst
  ixpk= 4949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 524, 525,
 igr2=1088,1089,1090,
 &end
#
#   37 ALA  HA           73 LEU  MD2         5.50    (#   4951:20  Unique         4.29, 5.01 A)
 &rst
  ixpk= 4951, nxpk= 20, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1092,1093,1094,
 &end
#
#   72 GLU  HG+          73 LEU  MD2         5.50    (#   4953:20  Unique         5.67, 6.84 A)
 &rst
  ixpk= 4953, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1071,1072,
 igr2=1092,1093,1094,
 &end
#
#   35 ARG  HG+          73 LEU  MD2         5.50    (#   4954:20  Unique         3.02, 5.31 A)
 &rst
  ixpk= 4954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 527, 528,
 igr2=1092,1093,1094,
 &end
#
#    0 AMB  20-2:4955    73 LEU  MD2         4.50    (#   4955:20  Single Ambig)
 &rst
  ixpk= 4955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1025,1026,1027,  58,  59,  60,
 igr2=1092,1093,1094,
 &end
#
#   76 SER  HN           72 GLU  HA          7.00    (#   4956:20  Unique         4.00, 4.03 A)
 &rst
  ixpk= 4956, nxpk= 20, iat=1130,1066, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   73 LEU  HB+          72 GLU  HA          5.50    (#   4957:20  Unique         5.79, 5.84 A)
 &rst
  ixpk= 4957, nxpk= 20, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1083,1084,
 &end
#
#   70 THR  HB           72 GLU  HB+         7.00    (#   4958:20  Unique         5.27, 5.81 A)
 &rst
  ixpk= 4958, nxpk= 20, iat=1039,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1068,1069,
 &end
#
#   70 THR  HB           72 GLU  HB-         7.00    (#   4959:20  Unique         5.27, 5.81 A)
 &rst
  ixpk= 4959, nxpk= 20, iat=1039,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1068,1069,
 &end
#
#   71 GLU  HG-          71 GLU  HB-         4.50    (#   4961:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 4961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1056,1057,
 igr2=1053,1054,
 &end
#
#   72 GLU  HN           71 GLU  HA          5.50    (#   4962:20  Unique         3.53, 3.54 A)
 &rst
  ixpk= 4962, nxpk= 20, iat=1064,1051, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 MET  HG-          71 GLU  HA          5.50    (#   4963:20  Unique         2.72, 3.12 A)
 &rst
  ixpk= 4963, nxpk= 20, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1105,1106,
 &end
#
#    0 AMB  20-2:4964    70 THR  MG2         4.50    (#   4964:20  Single Ambig)
 &rst
  ixpk= 4964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1020,1021,1092,1093,1094,
 igr2=1041,1042,1043,
 &end
#
#   71 GLU  HN           70 THR  HB          7.00    (#   4965:20  Unique         2.37, 2.41 A)
 &rst
  ixpk= 4965, nxpk= 20, iat=1049,1039, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   72 GLU  HN           70 THR  HB          5.50    (#   4966:20  Unique         3.31, 3.38 A)
 &rst
  ixpk= 4966, nxpk= 20, iat=1064,1039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:4968    70 THR  HB          7.00    (#   4968:20  Single Ambig)
 &rst
  ixpk= 4968, nxpk= 20, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1079,1098,
 &end
#
#   70 THR  MG2          70 THR  HB          5.50    (#   4972:20  Unique         2.44, 2.67 A)
 &rst
  ixpk= 4972, nxpk= 20, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1041,1042,1043,
 &end
#
#   95 PHE  QD           69 LEU  MD1         5.50    (#   4974:20  Unique         5.25, 6.80 A)
 &rst
  ixpk= 4974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1432,1440,
 igr2=1025,1026,1027,
 &end
#
#   95 PHE  HD2          69 LEU  MD1         7.00    (#   4975:20  Unique         6.77, 7.43 A)
 &rst
  ixpk= 4975, nxpk= 20, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1025,1026,1027,
 &end
#
#    0 AMB  20-2:4976    69 LEU  MD1         5.50    (#   4976:20  Single Ambig)
 &rst
  ixpk= 4976, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 557,1039,
 igr2=1025,1026,1027,
 &end
#
#   39 VAL  HA           69 LEU  MD1         7.00    (#   4977:20  Unique         6.43, 6.79 A)
 &rst
  ixpk= 4977, nxpk= 20, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1025,1026,1027,
 &end
#
#   70 THR  MG2          68 PRO  HB-         5.50    (#   4979:20  Unique         2.30, 4.16 A)
 &rst
  ixpk= 4979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1041,1042,1043,
 igr2=1009,1010,
 &end
#
#    0 AMB  20-2:4980     0 AMB  20-1:4980   4.50    (#   4980:20  Double Ambig)
 &rst
  ixpk= 4980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 612, 613, 614,1170,1613,1614,1615, 559, 560, 561,
      
 igr2=1009,1010,1186,1769,
 &end
#
#   68 PRO  HB-          68 PRO  HG+         3.00    (#   4981:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 4981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1009,1010,
 igr2=1006,1007,
 &end
#
#   67 SER  HA           68 PRO  HD+         4.50    (#   4983:20  Unique         2.39, 2.51 A)
 &rst
  ixpk= 4983, nxpk= 20, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1003,1004,
 &end
#
#   43 PRO  HA           68 PRO  HD-         7.00    (#   4985:20  Unique         3.67, 4.15 A)
 &rst
  ixpk= 4985, nxpk= 20, iat= 639,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1003,1004,
 &end
#
#   68 PRO  HB+          68 PRO  HD+         5.50    (#   4987:20  Unique         2.80, 3.68 A)
 &rst
  ixpk= 4987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1009,1010,
 igr2=1003,1004,
 &end
#
#   68 PRO  HB+          68 PRO  HD-         5.50    (#   4988:20  Unique         2.80, 3.68 A)
 &rst
  ixpk= 4988, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1009,1010,
 igr2=1003,1004,
 &end
#
#   68 PRO  HB-          68 PRO  HD-         5.50    (#   4989:20  Unique         2.80, 3.68 A)
 &rst
  ixpk= 4989, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1009,1010,
 igr2=1003,1004,
 &end
#
#   68 PRO  HB-          68 PRO  HD+         5.50    (#   4990:20  Unique         2.80, 3.68 A)
 &rst
  ixpk= 4990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1009,1010,
 igr2=1003,1004,
 &end
#
#    0 AMB  20-2:4991     0 AMB  20-1:4991   7.00    (#   4991:20  Double Ambig)
 &rst
  ixpk= 4991, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
 igr1= 612, 613, 614, 559, 560, 561,
 igr2=1003,1004,1003,1004,
 &end
#
#   67 SER  HN           67 SER  HA          5.50    (#   4992:20  Unique         2.87, 2.90 A)
 &rst
  ixpk= 4992, nxpk= 20, iat= 991, 993, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 PRO  HA           67 SER  HA          2.50    (#   4993:20  Unique         2.17, 2.53 A)
 &rst
  ixpk= 4993, nxpk= 20, iat= 639, 993, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  20-2:4994    67 SER  HA          3.50    (#   4994:20  Single Ambig)
 &rst
  ixpk= 4994, nxpk= 20, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1003,1004, 995, 996,
 &end
#
#   67 SER  HB-          67 SER  HA          2.80    (#   4995:20  Unique         2.48, 2.80 A)
 &rst
  ixpk= 4995, nxpk= 20, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 995, 996,
 &end
#
#   68 PRO  HD-          67 SER  HA          4.50    (#   4996:20  Unique         2.39, 2.51 A)
 &rst
  ixpk= 4996, nxpk= 20, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1003,1004,
 &end
#
#   43 PRO  HG+          67 SER  HA          2.80    (#   4997:20  Unique         2.84, 3.76 A)
 &rst
  ixpk= 4997, nxpk= 20, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 633, 634,
 &end
#
#    0 AMB  20-2:4998    67 SER  HA          5.50    (#   4998:20  Single Ambig)
 &rst
  ixpk= 4998, nxpk= 20, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 612, 613, 614, 559, 560, 561,
 &end
#
#   10 ASN  HB+          66 SER  HB-         5.50    (#   5000:20  Unique         2.21, 3.56 A)
 &rst
  ixpk= 5000, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 143, 144,
 igr2= 984, 985,
 &end
#
#    0 AMB  20-2:5002    48 THR  HA          7.00    (#   5002:20  Single Ambig)
 &rst
  ixpk= 5002, nxpk= 20, iat=  -1, 698, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 720, 157,
 &end
#
#   66 SER  HB+          65 VAL  MG1         5.50    (#   5004:20  Unique         4.46, 6.06 A)
 &rst
  ixpk= 5004, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 984, 985,
 igr2= 970, 971, 972,
 &end
#
#   66 SER  HB-          65 VAL  MG1         5.50    (#   5005:20  Unique         4.46, 6.06 A)
 &rst
  ixpk= 5005, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 984, 985,
 igr2= 970, 971, 972,
 &end
#
#   64 HIS  HD2          64 HIS  HB+         7.00    (#   5006:20  Unique         2.57, 3.23 A)
 &rst
  ixpk= 5006, nxpk= 20, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 951, 952,
 &end
#
#   64 HIS  HD2          64 HIS  HB-         7.00    (#   5007:20  Unique         2.57, 3.23 A)
 &rst
  ixpk= 5007, nxpk= 20, iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 951, 952,
 &end
#
#   61 ALA  HA           62 LEU  HA          5.50    (#   5009:20  Unique         4.57, 4.66 A)
 &rst
  ixpk= 5009, nxpk= 20, iat= 906, 916, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 ILE  QG2          61 ALA  HA          5.50    (#   5010:20  Unique         4.98, 6.12 A)
 &rst
  ixpk= 5010, nxpk= 20, iat=  -1, 906, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 891, 892, 893,
 &end
#
#   62 LEU  HB+          61 ALA  HA          5.50    (#   5011:20  Unique         4.09, 4.54 A)
 &rst
  ixpk= 5011, nxpk= 20, iat=  -1, 906, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 918, 919,
 &end
#
#   61 ALA  HN           61 ALA  HA          5.50    (#   5013:20  Unique         2.22, 2.25 A)
 &rst
  ixpk= 5013, nxpk= 20, iat= 904, 906, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 LEU  HA           61 ALA  MB          5.50    (#   5014:20  Unique         4.55, 5.74 A)
 &rst
  ixpk= 5014, nxpk= 20, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 908, 909, 910,
 &end
#
#   63 ASN  HB-          61 ALA  MB          5.50    (#   5016:20  Unique         4.63, 6.29 A)
 &rst
  ixpk= 5016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 937, 938,
 igr2= 908, 909, 910,
 &end
#
#   63 ASN  HB+          61 ALA  MB          5.50    (#   5017:20  Unique         4.63, 6.29 A)
 &rst
  ixpk= 5017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 937, 938,
 igr2= 908, 909, 910,
 &end
#
#    0 AMB  20-2:5018    60 ILE  HB          7.00    (#   5018:20  Single Ambig)
 &rst
  ixpk= 5018, nxpk= 20, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 794, 281,
 &end
#
#   58 LYS  HE-          60 ILE  QD1         7.00    (#   5019:20  Unique         4.34, 5.23 A)
 &rst
  ixpk= 5019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 859, 860,
 igr2= 898, 899, 900,
 &end
#
#   59 HIS  HB-          60 ILE  QD1         7.00    (#   5020:20  Unique         5.97, 7.23 A)
 &rst
  ixpk= 5020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 872, 873,
 igr2= 898, 899, 900,
 &end
#
#    0 AMB  20-2:5021    60 ILE  QD1         5.50    (#   5021:20  Single Ambig)
 &rst
  ixpk= 5021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 868, 792,
 igr2= 898, 899, 900,
 &end
#
#   58 LYS  HN           59 HIS  HA          5.50    (#   5022:20  Unique         4.78, 4.88 A)
 &rst
  ixpk= 5022, nxpk= 20, iat= 846, 870, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 GLU  HB-          58 LYS  HG-         7.00    (#   5023:20  Unique         6.09, 7.29 A)
 &rst
  ixpk= 5023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 835, 836,
 igr2= 853, 854,
 &end
#
#   58 LYS  HN           58 LYS  HD+         5.50    (#   5026:20  Unique         4.98, 5.54 A)
 &rst
  ixpk= 5026, nxpk= 20, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 856, 857,
 &end
#
#   58 LYS  HN           58 LYS  HD-         5.50    (#   5027:20  Unique         4.98, 5.54 A)
 &rst
  ixpk= 5027, nxpk= 20, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 856, 857,
 &end
#
#   59 HIS  HN           57 GLU  HA          5.50    (#   5028:20  Unique         3.47, 3.57 A)
 &rst
  ixpk= 5028, nxpk= 20, iat= 868, 833, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 GLU  HG-          57 GLU  HB-         3.00    (#   5029:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 5029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 838, 839,
 igr2= 835, 836,
 &end
#
#   57 GLU  HG-          57 GLU  HB+         3.00    (#   5030:20  Unique         2.34, 2.72 A)
 &rst
  ixpk= 5030, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 838, 839,
 igr2= 835, 836,
 &end
#
#    0 AMB  20-2:5032    56 PHE  HA          5.50    (#   5032:20  Single Ambig)
 &rst
  ixpk= 5032, nxpk= 20, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 889, 895, 896,
 &end
#
#   55 LEU  HB+          56 PHE  HA          5.50    (#   5033:20  Unique         4.37, 4.66 A)
 &rst
  ixpk= 5033, nxpk= 20, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 796, 797,
 &end
#
#   52 VAL  MG1          56 PHE  HB+         5.50    (#   5035:20  Unique         4.27, 5.80 A)
 &rst
  ixpk= 5035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 757, 758, 759,
 igr2= 815, 816,
 &end
#
#   58 LYS  HN           55 LEU  HA          5.50    (#   5036:20  Unique         2.73, 2.82 A)
 &rst
  ixpk= 5036, nxpk= 20, iat= 846, 794, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:5037    55 LEU  HA          5.50    (#   5037:20  Single Ambig)
 &rst
  ixpk= 5037, nxpk= 20, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 885, 831,
 &end
#
#    0 AMB  20-2:5038     0 AMB  20-1:5038   5.50    (#   5038:20  Double Ambig)
 &rst
  ixpk= 5038, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 811, 904,1520,
 igr2= 794,1453,
 &end
#
#   21 PHE  HD2          30 LEU  MD1         5.50    (#   5039:20  Unique         5.82, 6.84 A)
 &rst
  ixpk= 5039, nxpk= 20, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 450, 451, 452,
 &end
#
#  143 LYS  HN           30 LEU  MD1         5.50    (#   5040:20  Unique         5.17, 5.68 A)
 &rst
  ixpk= 5040, nxpk= 20, iat=2203,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 450, 451, 452,
 &end
#
#    0 AMB  20-2:5041     0 AMB  20-1:5041   5.50    (#   5041:20  Double Ambig)
 &rst
  ixpk= 5041, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 885, 380,
 igr2= 801, 802, 803, 450, 451, 452,
 &end
#
#   23 SER  HN           55 LEU  MD1         5.50    (#   5042:20  Unique         6.17, 6.73 A)
 &rst
  ixpk= 5042, nxpk= 20, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 801, 802, 803,
 &end
#
#   57 GLU  HB+          54 ALA  HA          5.50    (#   5044:20  Unique         2.67, 3.41 A)
 &rst
  ixpk= 5044, nxpk= 20, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 835, 836,
 &end
#
#   62 LEU  HB-          54 ALA  HA          7.00    (#   5045:20  Unique         7.64, 7.92 A)
 &rst
  ixpk= 5045, nxpk= 20, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 918, 919,
 &end
#
#    0 AMB  20-2:5046    10 ASN  HA          5.50    (#   5046:20  Single Ambig)
 &rst
  ixpk= 5046, nxpk= 20, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 143, 144, 111, 112,
 &end
#
#   50 HIS  HA           54 ALA  MB          5.50    (#   5047:20  Unique         4.72, 5.63 A)
 &rst
  ixpk= 5047, nxpk= 20, iat= 726,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 786, 787, 788,
 &end
#
#   52 VAL  HA           54 ALA  MB          5.50    (#   5048:20  Unique         5.12, 6.12 A)
 &rst
  ixpk= 5048, nxpk= 20, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 786, 787, 788,
 &end
#
#   24 ILE  HA           27 ARG  HB+         5.50    (#   5049:20  Unique         2.48, 3.68 A)
 &rst
  ixpk= 5049, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 399, 400,
 &end
#
#    0 AMB  20-2:5050     0 AMB  20-1:5050   3.50    (#   5050:20  Double Ambig)
 &rst
  ixpk= 5050, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 397, 769,
 igr2= 399, 400, 771, 772,
 &end
#
#    0 AMB  20-2:5051     0 AMB  20-1:5051   3.00    (#   5051:20  Double Ambig)
 &rst
  ixpk= 5051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 769,2082,2033,
 igr2= 771, 772,2084,2085,2084,2085,
 &end
#
#    0 AMB  20-2:5052     0 AMB  20-1:5052   5.50    (#   5052:20  Double Ambig)
 &rst
  ixpk= 5052, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 784,2205,
 igr2= 774, 775, 426, 427,
 &end
#
#    0 AMB  20-2:5053    53 GLU  HG-         5.50    (#   5053:20  Single Ambig)
 &rst
  ixpk= 5053, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1881,1882,1875,
 igr2= 774, 775,
 &end
#
#    0 AMB  20-2:5054     0 AMB  20-1:5054   5.50    (#   5054:20  Double Ambig)
 &rst
  ixpk= 5054, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1=1881,1882, 445, 446,1875,
 igr2= 774, 775, 426, 427, 774, 775,
 &end
#
#    0 AMB  20-2:5055     0 AMB  20-1:5055   5.50    (#   5055:20  Double Ambig)
 &rst
  ixpk= 5055, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.06, r4= 9.56,
 igr1= 361, 362, 757, 758, 759,
 igr2= 426, 427, 774, 775,
 &end
#
#    0 AMB  20-2:5056    51 ALA  HA          5.50    (#   5056:20  Single Ambig)
 &rst
  ixpk= 5056, nxpk= 20, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 234, 235,1884,1885,1886,
 &end
#
#   16 MET  HE1          51 ALA  HA          5.50    (#   5057:20  Unique         3.23, 4.10 A)
 &rst
  ixpk= 5057, nxpk= 20, iat=  -1, 743, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 238, 239, 240,
 &end
#
#    0 AMB  20-2:5058    51 ALA  MB          5.50    (#   5058:20  Single Ambig)
 &rst
  ixpk= 5058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1923,1873,
 igr2= 745, 746, 747,
 &end
#
#    0 AMB  20-2:5059   132 ASP  HA          5.50    (#   5059:20  Single Ambig)
 &rst
  ixpk= 5059, nxpk= 20, iat=  -1,2021, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2002,2003,1949,1950,
 &end
#
#   52 VAL  MG1          50 HIS  HA          5.50    (#   5060:20  Unique         4.00, 5.28 A)
 &rst
  ixpk= 5060, nxpk= 20, iat=  -1, 726, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 757, 758, 759,
 &end
#
#   53 GLU  HA           50 HIS  HA          5.50    (#   5062:20  Unique         4.92, 4.98 A)
 &rst
  ixpk= 5062, nxpk= 20, iat= 769, 726, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 ALA  HN           50 HIS  HA          5.50    (#   5063:20  Unique         3.57, 3.58 A)
 &rst
  ixpk= 5063, nxpk= 20, iat= 741, 726, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:5064     0 AMB  20-1:5064   5.50    (#   5064:20  Double Ambig)
 &rst
  ixpk= 5064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 159, 160, 161, 220, 221,
 igr2= 698, 966,
 &end
#
#   47 ALA  MB            0 AMB  20-1:5065   5.50    (#   5065:20  Single Ambig)
 &rst
  ixpk= 5065, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 690, 691, 692,
 igr2= 698, 966,
 &end
#
#   51 ALA  MB           48 THR  HB          7.00    (#   5069:20  Unique         4.46, 5.21 A)
 &rst
  ixpk= 5069, nxpk= 20, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 745, 746, 747,
 &end
#
#   15 PRO  HD-          48 THR  MG2         5.50    (#   5070:20  Unique         5.73, 7.46 A)
 &rst
  ixpk= 5070, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 214, 215,
 igr2= 702, 703, 704,
 &end
#
#   52 VAL  HB           48 THR  MG2         5.50    (#   5074:20  Unique         5.57, 6.66 A)
 &rst
  ixpk= 5074, nxpk= 20, iat= 755,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 702, 703, 704,
 &end
#
#   46 LYS  HE+          47 ALA  MB          5.50    (#   5075:20  Unique         4.62, 6.81 A)
 &rst
  ixpk= 5075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 677, 678,
 igr2= 690, 691, 692,
 &end
#
#   63 ASN  HN           47 ALA  MB          5.50    (#   5076:20  Unique         3.90, 4.99 A)
 &rst
  ixpk= 5076, nxpk= 20, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 690, 691, 692,
 &end
#
#   65 VAL  MG1          46 LYS  HA          5.50    (#   5078:20  Unique         3.62, 4.90 A)
 &rst
  ixpk= 5078, nxpk= 20, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 970, 971, 972,
 &end
#
#   65 VAL  HA           46 LYS  HD+         5.50    (#   5082:20  Unique         3.88, 5.29 A)
 &rst
  ixpk= 5082, nxpk= 20, iat= 966,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 674, 675,
 &end
#
#   65 VAL  MG2          44 ASN  HA          5.50    (#   5083:20  Unique         4.58, 5.35 A)
 &rst
  ixpk= 5083, nxpk= 20, iat=  -1, 645, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 974, 975, 976,
 &end
#
#   45 GLY  HN           44 ASN  HB+         7.00    (#   5084:20  Unique         3.76, 4.43 A)
 &rst
  ixpk= 5084, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 647, 648,
 &end
#
#   45 GLY  HN           44 ASN  HB-         7.00    (#   5085:20  Unique         3.76, 4.43 A)
 &rst
  ixpk= 5085, nxpk= 20, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 647, 648,
 &end
#
#  125 ASP  HA          128 LYS  HB+         5.50    (#   5086:20  Unique         2.13, 3.40 A)
 &rst
  ixpk= 5086, nxpk= 20, iat=1892,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1946,1947,
 &end
#
#    0 AMB  20-2:5087     0 AMB  20-1:5087   5.50    (#   5087:20  Double Ambig)
 &rst
  ixpk= 5087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1545,1546, 143, 144,
 igr2=1477, 590,
 &end
#
#    0 AMB  20-2:5088     0 AMB  20-1:5088   5.50    (#   5088:20  Double Ambig)
 &rst
  ixpk= 5088, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1564,1565,1566, 578, 579, 580,
 igr2=1572, 590,
 &end
#
#   90 ILE  QG2          40 PHE  HA          7.00    (#   5089:20  Unique         6.45, 7.42 A)
 &rst
  ixpk= 5089, nxpk= 20, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1354,1355,1356,
 &end
#
#   39 VAL  HB           40 PHE  HB+         5.50    (#   5091:20  Unique         4.20, 5.04 A)
 &rst
  ixpk= 5091, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 592, 593,
 &end
#
#    8 THR  HA           40 PHE  HB+         5.50    (#   5092:20  Unique         3.44, 5.02 A)
 &rst
  ixpk= 5092, nxpk= 20, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 592, 593,
 &end
#
#    8 THR  HA           40 PHE  HB-         7.00    (#   5093:20  Unique         3.44, 5.02 A)
 &rst
  ixpk= 5093, nxpk= 20, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 592, 593,
 &end
#
#   67 SER  HB-          37 ALA  HA          5.50    (#   5097:20  Unique         3.54, 4.70 A)
 &rst
  ixpk= 5097, nxpk= 20, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 995, 996,
 &end
#
#   37 ALA  MB           37 ALA  HA          4.50    (#   5098:20  Unique         2.39, 2.67 A)
 &rst
  ixpk= 5098, nxpk= 20, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 559, 560, 561,
 &end
#
#    0 AMB  20-2:5099    35 ARG  HA          5.50    (#   5099:20  Single Ambig)
 &rst
  ixpk= 5099, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1088,1089,1090, 220, 221,
 &end
#
#    4 ILE  HG1-         35 ARG  HA          5.50    (#   5101:20  Unique         5.17, 5.99 A)
 &rst
  ixpk= 5101, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  62,  63,
 &end
#
#    4 ILE  QG2          35 ARG  HA          5.50    (#   5102:20  Unique         5.02, 6.32 A)
 &rst
  ixpk= 5102, nxpk= 20, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  58,  59,  60,
 &end
#
#   35 ARG  HB+          35 ARG  HG+         3.00    (#   5103:20  Unique         2.19, 2.66 A)
 &rst
  ixpk= 5103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 524, 525,
 igr2= 527, 528,
 &end
#
#   35 ARG  HG-          34 VAL  HA          5.50    (#   5104:20  Unique         3.14, 4.77 A)
 &rst
  ixpk= 5104, nxpk= 20, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 527, 528,
 &end
#
#   18 GLU  HA           34 VAL  HB          5.50    (#   5105:20  Unique         3.38, 3.68 A)
 &rst
  ixpk= 5105, nxpk= 20, iat= 256, 508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 ALA  MB           46 LYS  HB+         5.50    (#   5106:20  Unique         3.82, 5.52 A)
 &rst
  ixpk= 5106, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 690, 691, 692,
 igr2= 668, 669,
 &end
#
#   32 VAL  HB           33 ASN  HA          5.50    (#   5108:20  Unique         3.95, 4.07 A)
 &rst
  ixpk= 5108, nxpk= 20, iat= 478, 492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:5109    32 VAL  MG2         5.50    (#   5109:20  Single Ambig)
 &rst
  ixpk= 5109, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 443, 300,
 igr2= 484, 485, 486,
 &end
#
#   22 LYS  HA           32 VAL  MG2         5.50    (#   5110:20  Unique         4.38, 4.69 A)
 &rst
  ixpk= 5110, nxpk= 20, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 484, 485, 486,
 &end
#
#    0 AMB  20-2:5111    32 VAL  MG2         5.50    (#   5111:20  Single Ambig)
 &rst
  ixpk= 5111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 302, 303, 331, 332,
 igr2= 484, 485, 486,
 &end
#
#   33 ASN  HB+          32 VAL  MG2         5.50    (#   5112:20  Unique         5.27, 6.46 A)
 &rst
  ixpk= 5112, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 494, 495,
 igr2= 484, 485, 486,
 &end
#
#   25 ALA  HA           30 LEU  HA          5.50    (#   5114:20  Unique         4.93, 5.08 A)
 &rst
  ixpk= 5114, nxpk= 20, iat= 372, 443, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:5115    30 LEU  HA          5.50    (#   5115:20  Single Ambig)
 &rst
  ixpk= 5115, nxpk= 20, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=2263, 382,2195,
 &end
#
#    0 AMB  20-2:5116    30 LEU  HA          5.50    (#   5116:20  Single Ambig)
 &rst
  ixpk= 5116, nxpk= 20, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2271,2272, 423, 424,
 &end
#
#   25 ALA  HA           28 GLU  HA          5.50    (#   5117:20  Unique         5.34, 5.48 A)
 &rst
  ixpk= 5117, nxpk= 20, iat= 372, 421, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:5118    28 GLU  HA          5.50    (#   5118:20  Single Ambig)
 &rst
  ixpk= 5118, nxpk= 20, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 397, 382,
 &end
#
#    0 AMB  20-2:5120    28 GLU  HA          5.50    (#   5120:20  Single Ambig)
 &rst
  ixpk= 5120, nxpk= 20, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 445, 446, 448,2197,2198,2199,
 &end
#
#   30 LEU  MD1          28 GLU  HA          5.50    (#   5121:20  Unique         5.44, 6.58 A)
 &rst
  ixpk= 5121, nxpk= 20, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 450, 451, 452,
 &end
#
#    0 AMB  20-2:5122    28 GLU  HA          4.50    (#   5122:20  Single Ambig)
 &rst
  ixpk= 5122, nxpk= 20, iat=  -1, 421, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 423, 424, 402, 403,
 &end
#
#  146 LYS  HE+          28 GLU  HB+         5.50    (#   5123:20  Unique         2.12, 4.52 A)
 &rst
  ixpk= 5123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2274,2275,
 igr2= 423, 424,
 &end
#
#    0 AMB  20-2:5124     0 AMB  20-1:5124   3.00    (#   5124:20  Double Ambig)
 &rst
  ixpk= 5124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 397, 769,
 igr2= 399, 400, 771, 772,
 &end
#
#   30 LEU  HB-          25 ALA  HA          5.50    (#   5125:20  Unique         2.22, 2.85 A)
 &rst
  ixpk= 5125, nxpk= 20, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 445, 446,
 &end
#
#   29 GLY  HN           25 ALA  HA          5.50    (#   5126:20  Unique         3.88, 3.98 A)
 &rst
  ixpk= 5126, nxpk= 20, iat= 434, 372, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:5127    25 ALA  HA          3.50    (#   5127:20  Single Ambig)
 &rst
  ixpk= 5127, nxpk= 20, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 450, 451, 452, 357, 358, 359, 484, 485, 486,
 &end
#
#    0 AMB  20-2:5128    25 ALA  MB          5.50    (#   5128:20  Single Ambig)
 &rst
  ixpk= 5128, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 384, 385, 426, 427,
 igr2= 374, 375, 376,
 &end
#
#    0 AMB  20-2:5130    25 ALA  MB          5.50    (#   5130:20  Single Ambig)
 &rst
  ixpk= 5130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 302, 303, 331, 332,
 igr2= 374, 375, 376,
 &end
#
#   21 PHE  QD           25 ALA  MB          5.50    (#   5131:20  Unique         2.99, 5.46 A)
 &rst
  ixpk= 5131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 306, 314,
 igr2= 374, 375, 376,
 &end
#
#   27 ARG  HD+          24 ILE  HA          5.50    (#   5132:20  Unique         3.08, 4.55 A)
 &rst
  ixpk= 5132, nxpk= 20, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 405, 406,
 &end
#
#    0 AMB  20-2:5133     0 AMB  20-1:5133   5.50    (#   5133:20  Double Ambig)
 &rst
  ixpk= 5133, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=1633,1634,2197,2198,2199,
 igr2=1722,1723, 353,
 &end
#
#    0 AMB  20-2:5134    24 ILE  HB          5.50    (#   5134:20  Single Ambig)
 &rst
  ixpk= 5134, nxpk= 20, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=2197,2198,2199,2178,2179,
 &end
#
#   24 ILE  HN           24 ILE  HG1-        5.50    (#   5135:20  Unique         2.45, 3.12 A)
 &rst
  ixpk= 5135, nxpk= 20, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 361, 362,
 &end
#
#   23 SER  HN           24 ILE  QG2         7.00    (#   5136:20  Unique         6.86, 7.25 A)
 &rst
  ixpk= 5136, nxpk= 20, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 357, 358, 359,
 &end
#
#   21 PHE  HB+          24 ILE  QD1         5.50    (#   5137:20  Unique         4.57, 6.53 A)
 &rst
  ixpk= 5137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 302, 303,
 igr2= 364, 365, 366,
 &end
#
#   22 LYS  HA           23 SER  HA          5.50    (#   5138:20  Unique         4.67, 4.71 A)
 &rst
  ixpk= 5138, nxpk= 20, iat= 320, 342, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  20-2:5139    23 SER  HA          5.50    (#   5139:20  Single Ambig)
 &rst
  ixpk= 5139, nxpk= 20, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 402, 403, 325, 326, 328, 329,
 &end
#
#    0 AMB  20-2:5140    23 SER  HA          5.50    (#   5140:20  Single Ambig)
 &rst
  ixpk= 5140, nxpk= 20, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 898, 899, 900, 357, 358, 359,
 &end
#
#   88 LYS  HB+          85 HIS  HA          4.50    (#   5141:20  Unique         2.19, 2.76 A)
 &rst
  ixpk= 5141, nxpk= 20, iat=  -1,1260, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1313,1314,
 &end
#
#   60 ILE  QD1          60 ILE  HG1-        3.00    (#   5142:20  Unique         2.39, 2.65 A)
 &rst
  ixpk= 5142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 898, 899, 900,
 igr2= 895, 896,
 &end
#
#    0 AMB  20-2:5144     0 AMB  20-1:5144   7.00    (#   5144:20  Double Ambig)
 &rst
  ixpk= 5144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
 igr1=2050,2051, 258, 259,
 igr2= 188, 189, 331, 332,
 &end
#
#   19 ALA  HA           22 LYS  HE+         5.50    (#   5145:20  Unique         2.65, 5.04 A)
 &rst
  ixpk= 5145, nxpk= 20, iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 331, 332,
 &end
#
#    0 AMB  20-2:5146     0 AMB  20-1:5146   5.50    (#   5146:20  Double Ambig)
 &rst
  ixpk= 5146, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 256, 320,1983,
 igr2= 331, 332, 188, 189,
 &end
#
#   34 VAL  HN           22 LYS  HE-         5.50    (#   5147:20  Unique         3.23, 4.87 A)
 &rst
  ixpk= 5147, nxpk= 20, iat= 504,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 331, 332,
 &end
#
#   17 ALA  HA           20 LEU  HB+         5.50    (#   5148:20  Unique         2.73, 3.28 A)
 &rst
  ixpk= 5148, nxpk= 20, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 283, 284,
 &end
#
#   17 ALA  HA           20 LEU  HB-         7.00    (#   5149:20  Unique         2.73, 3.28 A)
 &rst
  ixpk= 5149, nxpk= 20, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 283, 284,
 &end
#
#  145 LEU  HA          150 ARG  HN          7.00    (#      2:10  Unique         3.21, 3.95 A)
 &rst
  ixpk= 2, nxpk= 10, iat=2244,2341, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  148 ASP  HA          150 ARG  HN          7.00    (#      7:10  Unique         3.59, 4.67 A)
 &rst
  ixpk= 7, nxpk= 10, iat=2307,2341, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  149 ARG  HA          150 ARG  HN          3.50    (#      9:10  Unique         2.15, 3.00 A)
 &rst
  ixpk= 9, nxpk= 10, iat=2319,2341, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  150 ARG  HA          150 ARG  HN          4.50    (#     10:10  Unique         2.26, 2.72 A)
 &rst
  ixpk= 10, nxpk= 10, iat=2343,2341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:11     150 ARG  HN          7.00    (#     11:10  Single Ambig)
 &rst
  ixpk= 11, nxpk= 10, iat=  -1,2341, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2263,2227,
 &end
#
#  150 ARG  HD+         150 ARG  HN          5.50    (#     12:10  Unique         2.34, 4.15 A)
 &rst
  ixpk= 12, nxpk= 10, iat=  -1,2341, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2351,2352,
 &end
#
#  148 ASP  HB+         150 ARG  HN          7.00    (#     13:10  Unique         2.77, 4.73 A)
 &rst
  ixpk= 13, nxpk= 10, iat=  -1,2341, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2309,2310,
 &end
#
#  148 ASP  HB-         150 ARG  HN          7.00    (#     14:10  Unique         2.77, 4.73 A)
 &rst
  ixpk= 14, nxpk= 10, iat=  -1,2341, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2309,2310,
 &end
#
#  150 ARG  HB+         150 ARG  HN          4.50    (#     15:10  Unique         2.26, 3.05 A)
 &rst
  ixpk= 15, nxpk= 10, iat=  -1,2341, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2345,2346,
 &end
#
#  150 ARG  HB-         150 ARG  HN          4.50    (#     16:10  Unique         2.26, 3.05 A)
 &rst
  ixpk= 16, nxpk= 10, iat=  -1,2341, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2345,2346,
 &end
#
#  150 ARG  HG+         150 ARG  HN          4.50    (#     17:10  Unique         1.92, 3.53 A)
 &rst
  ixpk= 17, nxpk= 10, iat=  -1,2341, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2348,2349,
 &end
#
#  145 LEU  MD2         150 ARG  HN          7.00    (#     18:10  Unique         2.54, 4.34 A)
 &rst
  ixpk= 18, nxpk= 10, iat=  -1,2341, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=2255,2256,2257,
 &end
#
#   82 ALA  MB           80 VAL  HN          7.00    (#     19:10  Unique         6.85, 7.87 A)
 &rst
  ixpk= 19, nxpk= 10, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1221,1222,1223,
 &end
#
#  103 PHE  HN           80 VAL  HN          5.50    (#     20:10  Unique         3.81, 3.88 A)
 &rst
  ixpk= 20, nxpk= 10, iat=1570,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:21      80 VAL  HN          5.50    (#     21:10  Single Ambig)
 &rst
  ixpk= 21, nxpk= 10, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1163,1580,1584,
 &end
#
#  103 PHE  QD           80 VAL  HN          7.00    (#     22:10  Unique         3.42, 5.69 A)
 &rst
  ixpk= 22, nxpk= 10, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1578,1586,
 &end
#
#   79 LEU  HA           80 VAL  HN          3.50    (#     23:10  Unique         2.22, 2.26 A)
 &rst
  ixpk= 23, nxpk= 10, iat=1165,1182, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80 VAL  HA           80 VAL  HN          5.50    (#     24:10  Unique         2.95, 2.96 A)
 &rst
  ixpk= 24, nxpk= 10, iat=1184,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   80 VAL  HB           80 VAL  HN          4.50    (#     25:10  Unique         2.50, 2.67 A)
 &rst
  ixpk= 25, nxpk= 10, iat=1186,1182, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  101 LYS  HB-          80 VAL  HN          5.50    (#     26:10  Unique         3.14, 4.19 A)
 &rst
  ixpk= 26, nxpk= 10, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1536,1537,
 &end
#
#   79 LEU  HB+          80 VAL  HN          4.50    (#     27:10  Unique         3.70, 4.07 A)
 &rst
  ixpk= 27, nxpk= 10, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1167,1168,
 &end
#
#   79 LEU  HG           80 VAL  HN          5.50    (#     28:10  Unique         2.24, 2.59 A)
 &rst
  ixpk= 28, nxpk= 10, iat=1170,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:29      80 VAL  HN          5.50    (#     29:10  Single Ambig)
 &rst
  ixpk= 29, nxpk= 10, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1202,1203,1564,1565,1566,
 &end
#
#    0 AMB  10-2:30      80 VAL  HN          3.50    (#     30:10  Single Ambig)
 &rst
  ixpk= 30, nxpk= 10, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1192,1193,1194,1176,1177,1178,
 &end
#
#   79 LEU  MD1          80 VAL  HN          5.50    (#     31:10  Unique         2.40, 3.57 A)
 &rst
  ixpk= 31, nxpk= 10, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1172,1173,1174,
 &end
#
#  102 VAL  HA           80 VAL  HN          5.50    (#     32:10  Unique         2.74, 2.89 A)
 &rst
  ixpk= 32, nxpk= 10, iat=1556,1182, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:33      80 VAL  HN          5.50    (#     33:10  Single Ambig)
 &rst
  ixpk= 33, nxpk= 10, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1536,1537,1558,
 &end
#
#    0 AMB  10-2:34      80 VAL  HN          5.50    (#     34:10  Single Ambig)
 &rst
  ixpk= 34, nxpk= 10, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1202,1203,1109,1110,1111,
 &end
#
#    0 AMB  10-2:35      80 VAL  HN          4.50    (#     35:10  Single Ambig)
 &rst
  ixpk= 35, nxpk= 10, iat=  -1,1182, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1188,1189,1190,  97,  98,  99,
 &end
#
#    0 AMB  10-2:37      65 VAL  HN          7.00    (#     37:10  Single Ambig)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1, 964, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 980, 933,
 &end
#
#   64 HIS  HB-          65 VAL  HN          7.00    (#     38:10  Unique         3.80, 4.07 A)
 &rst
  ixpk= 38, nxpk= 10, iat=  -1, 964, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 951, 952,
 &end
#
#   65 VAL  MG1          65 VAL  HN          5.50    (#     39:10  Unique         4.34, 4.71 A)
 &rst
  ixpk= 39, nxpk= 10, iat=  -1, 964, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 970, 971, 972,
 &end
#
#   64 HIS  HA           65 VAL  HN          3.50    (#     40:10  Unique         2.20, 2.25 A)
 &rst
  ixpk= 40, nxpk= 10, iat= 949, 964, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 VAL  HA           65 VAL  HN          5.50    (#     41:10  Unique         2.95, 2.97 A)
 &rst
  ixpk= 41, nxpk= 10, iat= 966, 964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:42      65 VAL  HN          5.50    (#     42:10  Single Ambig)
 &rst
  ixpk= 42, nxpk= 10, iat=  -1, 964, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 951, 952, 937, 938,
 &end
#
#   65 VAL  HB           65 VAL  HN          4.50    (#     43:10  Unique         2.54, 2.70 A)
 &rst
  ixpk= 43, nxpk= 10, iat= 968, 964, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 VAL  MG2          65 VAL  HN          4.50    (#     44:10  Unique         2.48, 3.76 A)
 &rst
  ixpk= 44, nxpk= 10, iat=  -1, 964, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 974, 975, 976,
 &end
#
#  103 PHE  HN           82 ALA  HN          5.50    (#     48:10  Unique         3.28, 3.43 A)
 &rst
  ixpk= 48, nxpk= 10, iat=1570,1217, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:49      82 ALA  HN          5.50    (#     49:10  Single Ambig)
 &rst
  ixpk= 49, nxpk= 10, iat=  -1,1217, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1604,1198,
 &end
#
#    0 AMB  10-2:50      82 ALA  HN          7.00    (#     50:10  Single Ambig)
 &rst
  ixpk= 50, nxpk= 10, iat=  -1,1217, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1227,  91,1244,
 &end
#
#   81 LEU  HA           82 ALA  HN          3.50    (#     51:10  Unique         2.08, 2.11 A)
 &rst
  ixpk= 51, nxpk= 10, iat=1200,1217, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:52      82 ALA  HN          4.50    (#     52:10  Single Ambig)
 &rst
  ixpk= 52, nxpk= 10, iat=  -1,1217, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1592,1219,
 &end
#
#   82 ALA  MB           82 ALA  HN          3.50    (#     53:10  Unique         2.39, 2.96 A)
 &rst
  ixpk= 53, nxpk= 10, iat=  -1,1217, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1221,1222,1223,
 &end
#
#    0 AMB  10-2:54      82 ALA  HN          5.50    (#     54:10  Single Ambig)
 &rst
  ixpk= 54, nxpk= 10, iat=  -1,1217, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  97,  98,  99,1188,1189,1190,1596,1597,1598,
 &end
#
#    0 AMB  10-2:55      82 ALA  HN          7.00    (#     55:10  Single Ambig)
 &rst
  ixpk= 55, nxpk= 10, iat=  -1,1217, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1380,1381,1382,1192,1193,1194,
 &end
#
#   81 LEU  HG           82 ALA  HN          4.50    (#     56:10  Unique         4.12, 4.20 A)
 &rst
  ixpk= 56, nxpk= 10, iat=1205,1217, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:57      82 ALA  HN          7.00    (#     57:10  Single Ambig)
 &rst
  ixpk= 57, nxpk= 10, iat=  -1,1217, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1207,1208,1209,1172,1173,1174,
 &end
#
#    0 AMB  10-2:58      82 ALA  HN          7.00    (#     58:10  Single Ambig)
 &rst
  ixpk= 58, nxpk= 10, iat=  -1,1217, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1556,1572,
 &end
#
#   81 LEU  HB+          82 ALA  HN          7.00    (#     60:10  Unique         4.05, 4.38 A)
 &rst
  ixpk= 60, nxpk= 10, iat=  -1,1217, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1202,1203,
 &end
#
#    0 AMB  10-2:61      82 ALA  HN          5.50    (#     61:10  Single Ambig)
 &rst
  ixpk= 61, nxpk= 10, iat=  -1,1217, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1613,1614,1615,1170,
 &end
#
#    0 AMB  10-2:62      82 ALA  HN          5.50    (#     62:10  Single Ambig)
 &rst
  ixpk= 62, nxpk= 10, iat=  -1,1217, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1202,1203,1564,1565,1566,
 &end
#
#   69 LEU  HN           38 GLY  HN          5.50    (#     71:10  Unique         2.69, 2.91 A)
 &rst
  ixpk= 71, nxpk= 10, iat=1016, 565, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 LEU  HB-          38 GLY  HN          7.00    (#     73:10  Unique         2.82, 3.82 A)
 &rst
  ixpk= 73, nxpk= 10, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1020,1021,
 &end
#
#   68 PRO  HA           38 GLY  HN          5.50    (#     75:10  Unique         2.69, 2.79 A)
 &rst
  ixpk= 75, nxpk= 10, iat=1012, 565, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 ALA  HA           38 GLY  HN          4.50    (#     76:10  Unique         2.38, 2.52 A)
 &rst
  ixpk= 76, nxpk= 10, iat= 557, 565, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:77      38 GLY  HN          7.00    (#     77:10  Single Ambig)
 &rst
  ixpk= 77, nxpk= 10, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
 igr1= 984, 985,1018, 995, 996,1003,1004,
 &end
#
#   10 ASN  HB+          38 GLY  HN          5.50    (#     78:10  Unique         2.75, 3.99 A)
 &rst
  ixpk= 78, nxpk= 10, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 143, 144,
 &end
#
#   10 ASN  HB-          38 GLY  HN          5.50    (#     79:10  Unique         2.75, 3.99 A)
 &rst
  ixpk= 79, nxpk= 10, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 143, 144,
 &end
#
#    0 AMB  10-2:80      38 GLY  HN          4.50    (#     80:10  Single Ambig)
 &rst
  ixpk= 80, nxpk= 10, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 559, 560, 561, 612, 613, 614,
 &end
#
#    2 ASP  HN            3 ILE  HN          7.00    (#     81:10  Unique         3.95, 4.14 A)
 &rst
  ixpk= 81, nxpk= 10, iat=  21,  33, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   78 ASP  HB-           3 ILE  HN          5.50    (#     82:10  Unique         5.64, 6.26 A)
 &rst
  ixpk= 82, nxpk= 10, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1155,1156,
 &end
#
#    3 ILE  QD1           3 ILE  HN          5.50    (#     83:10  Unique         4.17, 4.76 A)
 &rst
  ixpk= 83, nxpk= 10, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  46,  47,  48,
 &end
#
#   80 VAL  HB           81 LEU  HN          7.00    (#     84:10  Unique         4.08, 4.18 A)
 &rst
  ixpk= 84, nxpk= 10, iat=1186,1198, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   34 VAL  MG1           3 ILE  HN          7.00    (#     85:10  Unique         2.87, 4.03 A)
 &rst
  ixpk= 85, nxpk= 10, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 510, 511, 512,
 &end
#
#    4 ILE  HN            3 ILE  HN          7.00    (#     86:10  Unique         4.45, 4.49 A)
 &rst
  ixpk= 86, nxpk= 10, iat=  52,  33, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    4 ILE  HN           81 LEU  HN          5.50    (#     87:10  Unique         3.65, 3.77 A)
 &rst
  ixpk= 87, nxpk= 10, iat=  52,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   82 ALA  HN           81 LEU  HN          7.00    (#     88:10  Unique         3.88, 4.00 A)
 &rst
  ixpk= 88, nxpk= 10, iat=1217,1198, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    6 VAL  HN           81 LEU  HN          7.00    (#     89:10  Unique         3.78, 3.86 A)
 &rst
  ixpk= 89, nxpk= 10, iat=  91,1198, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    5 PHE  QD           81 LEU  HN          5.50    (#     90:10  Unique         4.95, 5.91 A)
 &rst
  ixpk= 90, nxpk= 10, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  79,  87,
 &end
#
#    5 PHE  HA           81 LEU  HN          5.50    (#     91:10  Unique         3.09, 3.12 A)
 &rst
  ixpk= 91, nxpk= 10, iat=  73,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81 LEU  HA           81 LEU  HN          5.50    (#     92:10  Unique         2.94, 2.95 A)
 &rst
  ixpk= 92, nxpk= 10, iat=1200,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:93      81 LEU  HN          7.00    (#     93:10  Single Ambig)
 &rst
  ixpk= 93, nxpk= 10, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  35,1229,
 &end
#
#   80 VAL  HA           81 LEU  HN          3.50    (#     94:10  Unique         2.19, 2.23 A)
 &rst
  ixpk= 94, nxpk= 10, iat=1184,1198, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 LEU  HB+          81 LEU  HN          4.50    (#     95:10  Unique         2.58, 2.92 A)
 &rst
  ixpk= 95, nxpk= 10, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1202,1203,
 &end
#
#    4 ILE  HB           81 LEU  HN          5.50    (#     96:10  Unique         3.63, 3.77 A)
 &rst
  ixpk= 96, nxpk= 10, iat=  56,1198, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:97      81 LEU  HN          5.50    (#     97:10  Single Ambig)
 &rst
  ixpk= 97, nxpk= 10, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1170,1613,1614,1615,
 &end
#
#   81 LEU  HB-          81 LEU  HN          5.50    (#     98:10  Unique         2.58, 2.92 A)
 &rst
  ixpk= 98, nxpk= 10, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1202,1203,
 &end
#
#    0 AMB  10-2:99      81 LEU  HN          4.50    (#     99:10  Single Ambig)
 &rst
  ixpk= 99, nxpk= 10, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  97,  98,  99,1188,1189,1190,
 &end
#
#    0 AMB  10-2:100     81 LEU  HN          5.50    (#    100:10  Single Ambig)
 &rst
  ixpk= 100, nxpk= 10, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=  58,  59,  60,1192,1193,1194,1176,1177,1178,
 &end
#
#    0 AMB  10-2:101     81 LEU  HN          4.50    (#    101:10  Single Ambig)
 &rst
  ixpk= 101, nxpk= 10, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1205,  65,  66,  67,
 &end
#
#    0 AMB  10-2:102     81 LEU  HN          5.50    (#    102:10  Single Ambig)
 &rst
  ixpk= 102, nxpk= 10, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1207,1208,1209,1172,1173,1174,
 &end
#
#    3 ILE  QG2          81 LEU  HN          7.00    (#    103:10  Unique         4.03, 4.66 A)
 &rst
  ixpk= 103, nxpk= 10, iat=  -1,1198, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  39,  40,  41,
 &end
#
#    0 AMB  10-2:104     62 LEU  HN          5.50    (#    104:10  Single Ambig)
 &rst
  ixpk= 104, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 904, 811,
 &end
#
#   62 LEU  HA           62 LEU  HN          4.50    (#    106:10  Unique         2.56, 2.73 A)
 &rst
  ixpk= 106, nxpk= 10, iat= 916, 914, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 ALA  HA           62 LEU  HN          3.50    (#    107:10  Unique         2.35, 2.41 A)
 &rst
  ixpk= 107, nxpk= 10, iat= 906, 914, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 VAL  HA           62 LEU  HN          7.00    (#    108:10  Unique         3.68, 3.90 A)
 &rst
  ixpk= 108, nxpk= 10, iat= 753, 914, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   62 LEU  HB+          62 LEU  HN          4.50    (#    109:10  Unique         2.14, 2.46 A)
 &rst
  ixpk= 109, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 918, 919,
 &end
#
#   55 LEU  HB+          62 LEU  HN          7.00    (#    110:10  Unique         2.39, 2.94 A)
 &rst
  ixpk= 110, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 796, 797,
 &end
#
#   61 ALA  MB           62 LEU  HN          4.50    (#    111:10  Unique         2.49, 4.36 A)
 &rst
  ixpk= 111, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 908, 909, 910,
 &end
#
#   62 LEU  HB-          62 LEU  HN          4.50    (#    112:10  Unique         2.14, 2.46 A)
 &rst
  ixpk= 112, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 918, 919,
 &end
#
#   52 VAL  MG1          62 LEU  HN          5.50    (#    113:10  Unique         5.89, 6.73 A)
 &rst
  ixpk= 113, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 757, 758, 759,
 &end
#
#   60 ILE  QG2          62 LEU  HN          7.00    (#    114:10  Unique         3.80, 5.17 A)
 &rst
  ixpk= 114, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 891, 892, 893,
 &end
#
#   62 LEU  QD2          62 LEU  HN          5.50    (#    115:10  Unique         4.74, 5.28 A)
 &rst
  ixpk= 115, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 927, 928, 929,
 &end
#
#   62 LEU  QD1          62 LEU  HN          5.50    (#    116:10  Unique         4.48, 5.12 A)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 923, 924, 925,
 &end
#
#    0 AMB  10-2:120      5 PHE  HN          5.50    (#    120:10  Single Ambig)
 &rst
  ixpk= 120, nxpk= 10, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 555, 544,
 &end
#
#    5 PHE  QD            5 PHE  HN          5.50    (#    121:10  Unique         2.66, 3.77 A)
 &rst
  ixpk= 121, nxpk= 10, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  79,  87,
 &end
#
#   36 SER  HA            5 PHE  HN          4.50    (#    122:10  Unique         2.35, 2.70 A)
 &rst
  ixpk= 122, nxpk= 10, iat= 546,  71, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 ILE  HA            5 PHE  HN          3.50    (#    123:10  Unique         2.16, 2.18 A)
 &rst
  ixpk= 123, nxpk= 10, iat=  54,  71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 PHE  HB+           5 PHE  HN          4.50    (#    124:10  Unique         2.34, 3.00 A)
 &rst
  ixpk= 124, nxpk= 10, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  75,  76,
 &end
#
#    0 AMB  10-2:125      5 PHE  HN          5.50    (#    125:10  Single Ambig)
 &rst
  ixpk= 125, nxpk= 10, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=  56,  37, 514, 515, 516,
 &end
#
#    0 AMB  10-2:126      5 PHE  HN          7.00    (#    126:10  Single Ambig)
 &rst
  ixpk= 126, nxpk= 10, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=  97,  98,  99,1188,1189,1190,
 &end
#
#    5 PHE  HA            5 PHE  HN          5.50    (#    127:10  Unique         2.93, 2.95 A)
 &rst
  ixpk= 127, nxpk= 10, iat=  73,  71, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:128      5 PHE  HN          5.50    (#    128:10  Single Ambig)
 &rst
  ixpk= 128, nxpk= 10, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 548, 549, 206, 207,
 &end
#
#    4 ILE  QG2           5 PHE  HN          4.50    (#    129:10  Unique         3.18, 3.83 A)
 &rst
  ixpk= 129, nxpk= 10, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  58,  59,  60,
 &end
#
#   55 LEU  MD1          62 LEU  HN          7.00    (#    131:10  Unique         4.39, 5.66 A)
 &rst
  ixpk= 131, nxpk= 10, iat=  -1, 914, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 801, 802, 803,
 &end
#
#   55 LEU  HN           56 PHE  HN          4.50    (#    132:10  Unique         2.55, 2.56 A)
 &rst
  ixpk= 132, nxpk= 10, iat= 792, 811, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 GLU  HN           56 PHE  HN          5.50    (#    133:10  Unique         2.62, 2.65 A)
 &rst
  ixpk= 133, nxpk= 10, iat= 831, 811, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 PHE  QE           56 PHE  HN          7.00    (#    134:10  Unique         5.46, 6.92 A)
 &rst
  ixpk= 134, nxpk= 10, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 821, 825,
 &end
#
#   58 LYS  HN           56 PHE  HN          7.00    (#    135:10  Unique         3.93, 4.00 A)
 &rst
  ixpk= 135, nxpk= 10, iat= 846, 811, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   56 PHE  HA           56 PHE  HN          4.50    (#    137:10  Unique         2.88, 2.89 A)
 &rst
  ixpk= 137, nxpk= 10, iat= 813, 811, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 LEU  HA           56 PHE  HN          5.50    (#    138:10  Unique         3.54, 3.54 A)
 &rst
  ixpk= 138, nxpk= 10, iat= 794, 811, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:139     56 PHE  HN          7.00    (#    139:10  Single Ambig)
 &rst
  ixpk= 139, nxpk= 10, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 784, 833,
 &end
#
#   56 PHE  HB-          56 PHE  HN          3.50    (#    140:10  Unique         2.27, 2.61 A)
 &rst
  ixpk= 140, nxpk= 10, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 815, 816,
 &end
#
#   56 PHE  HB+          56 PHE  HN          3.50    (#    141:10  Unique         2.27, 2.61 A)
 &rst
  ixpk= 141, nxpk= 10, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 815, 816,
 &end
#
#    0 AMB  10-2:142     56 PHE  HN          7.00    (#    142:10  Single Ambig)
 &rst
  ixpk= 142, nxpk= 10, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 835, 836, 918, 919, 771, 772,
 &end
#
#   55 LEU  HB+          56 PHE  HN          4.50    (#    143:10  Unique         3.03, 3.47 A)
 &rst
  ixpk= 143, nxpk= 10, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 796, 797,
 &end
#
#    0 AMB  10-2:144     56 PHE  HN          5.50    (#    144:10  Single Ambig)
 &rst
  ixpk= 144, nxpk= 10, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 786, 787, 788, 889,
 &end
#
#   52 VAL  MG1          56 PHE  HN          7.00    (#    145:10  Unique         5.14, 6.01 A)
 &rst
  ixpk= 145, nxpk= 10, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 757, 758, 759,
 &end
#
#    0 AMB  10-2:146     56 PHE  HN          7.00    (#    146:10  Single Ambig)
 &rst
  ixpk= 146, nxpk= 10, iat=  -1, 811, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1= 801, 802, 803,1884,1885,1886, 898, 899, 900,
 &end
#
#    0 AMB  10-2:147     56 PHE  HN          7.00    (#    147:10  Single Ambig)
 &rst
  ixpk= 147, nxpk= 10, iat=  -1, 811, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 801, 802, 803,1884,1885,1886, 234, 235,
 &end
#
#    4 ILE  HN            5 PHE  HN          7.00    (#    148:10  Unique         4.20, 4.25 A)
 &rst
  ixpk= 148, nxpk= 10, iat=  52,  71, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   81 LEU  HB-           5 PHE  HN          7.00    (#    149:10  Unique         5.19, 5.39 A)
 &rst
  ixpk= 149, nxpk= 10, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1202,1203,
 &end
#
#  105 LEU  HG          116 VAL  HN          7.00    (#    150:10  Unique         4.05, 4.55 A)
 &rst
  ixpk= 150, nxpk= 10, iat=1611,1765, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:151     34 VAL  HN          3.50    (#    151:10  Single Ambig)
 &rst
  ixpk= 151, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 492, 506,
 &end
#
#    0 AMB  10-2:152      0 AMB  10-1:152    4.50    (#    152:10  Double Ambig)
 &rst
  ixpk= 152, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 508, 261, 262,1313,1314,
 igr2= 504,1570,
 &end
#
#    0 AMB  10-2:153     34 VAL  HN          5.50    (#    153:10  Single Ambig)
 &rst
  ixpk= 153, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 328, 329, 325, 326, 527, 528,
 &end
#
#   34 VAL  MG1          34 VAL  HN          4.50    (#    154:10  Unique         2.67, 3.97 A)
 &rst
  ixpk= 154, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 510, 511, 512,
 &end
#
#    0 AMB  10-2:155      0 AMB  10-1:155    4.50    (#    155:10  Double Ambig)
 &rst
  ixpk= 155, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 494, 495,1664,1665,
 igr2= 504,1570,
 &end
#
#  118 ASP  HA          116 VAL  HN          7.00    (#    156:10  Unique         5.27, 5.88 A)
 &rst
  ixpk= 156, nxpk= 10, iat=1802,1765, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  115 ASP  HA          116 VAL  HN          3.50    (#    157:10  Unique         2.31, 2.43 A)
 &rst
  ixpk= 157, nxpk= 10, iat=1755,1765, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   83 MET  HA          116 VAL  HN          5.10    (#    158:10  Unique         4.81, 5.05 A)
 &rst
  ixpk= 158, nxpk= 10, iat=1229,1765, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  116 VAL  HA          116 VAL  HN          5.50    (#    160:10  Unique         2.90, 2.95 A)
 &rst
  ixpk= 160, nxpk= 10, iat=1767,1765, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  115 ASP  HB+         116 VAL  HN          5.50    (#    161:10  Unique         3.37, 3.69 A)
 &rst
  ixpk= 161, nxpk= 10, iat=  -1,1765, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1757,1758,
 &end
#
#    0 AMB  10-2:162    116 VAL  HN          5.50    (#    162:10  Single Ambig)
 &rst
  ixpk= 162, nxpk= 10, iat=  -1,1765, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1757,1758,1636,1637,
 &end
#
#  116 VAL  HB          116 VAL  HN          4.50    (#    163:10  Unique         2.20, 2.51 A)
 &rst
  ixpk= 163, nxpk= 10, iat=1769,1765, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  116 VAL  MG2         116 VAL  HN          4.50    (#    164:10  Unique         1.86, 3.13 A)
 &rst
  ixpk= 164, nxpk= 10, iat=  -1,1765, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1775,1776,1777,
 &end
#
#    0 AMB  10-2:165    116 VAL  HN          4.50    (#    165:10  Single Ambig)
 &rst
  ixpk= 165, nxpk= 10, iat=  -1,1765, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1771,1772,1773,1250,1251,1252,
 &end
#
#    0 AMB  10-2:166     34 VAL  HN          7.00    (#    166:10  Single Ambig)
 &rst
  ixpk= 166, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 331, 332, 530, 531,
 &end
#
#    0 AMB  10-2:167    103 PHE  HN          7.00    (#    167:10  Single Ambig)
 &rst
  ixpk= 167, nxpk= 10, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1172,1173,1174,1207,1208,1209,
 &end
#
#   82 ALA  HN          103 PHE  HN          5.50    (#    168:10  Unique         3.28, 3.43 A)
 &rst
  ixpk= 168, nxpk= 10, iat=1217,1570, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  103 PHE  QD          103 PHE  HN          4.50    (#    169:10  Unique         2.89, 4.20 A)
 &rst
  ixpk= 169, nxpk= 10, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1578,1586,
 &end
#
#  102 VAL  HN          103 PHE  HN          7.00    (#    170:10  Unique         4.31, 4.48 A)
 &rst
  ixpk= 170, nxpk= 10, iat=1554,1570, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   81 LEU  HA          103 PHE  HN          5.50    (#    171:10  Unique         2.76, 2.83 A)
 &rst
  ixpk= 171, nxpk= 10, iat=1200,1570, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:172    103 PHE  HN          3.50    (#    172:10  Single Ambig)
 &rst
  ixpk= 172, nxpk= 10, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1556,1572,
 &end
#
#    0 AMB  10-2:173    103 PHE  HN          7.00    (#    173:10  Single Ambig)
 &rst
  ixpk= 173, nxpk= 10, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1534,1165,
 &end
#
#  103 PHE  HB+         103 PHE  HN          5.50    (#    174:10  Unique         2.64, 3.27 A)
 &rst
  ixpk= 174, nxpk= 10, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1574,1575,
 &end
#
#  103 PHE  HB-         103 PHE  HN          5.50    (#    175:10  Unique         2.64, 3.27 A)
 &rst
  ixpk= 175, nxpk= 10, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1574,1575,
 &end
#
#  102 VAL  HB          103 PHE  HN          5.50    (#    176:10  Unique         3.32, 3.81 A)
 &rst
  ixpk= 176, nxpk= 10, iat=1558,1570, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   80 VAL  HB          103 PHE  HN          5.50    (#    177:10  Unique         3.92, 4.00 A)
 &rst
  ixpk= 177, nxpk= 10, iat=1186,1570, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:178    103 PHE  HN          4.50    (#    178:10  Single Ambig)
 &rst
  ixpk= 178, nxpk= 10, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1564,1565,1566,1202,1203,
 &end
#
#   80 VAL  MG1         103 PHE  HN          5.50    (#    179:10  Unique         3.81, 5.20 A)
 &rst
  ixpk= 179, nxpk= 10, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1188,1189,1190,
 &end
#
#    0 AMB  10-2:180    103 PHE  HN          5.50    (#    180:10  Single Ambig)
 &rst
  ixpk= 180, nxpk= 10, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1176,1177,1178,1192,1193,1194,
 &end
#
#  104 THR  HN          103 PHE  HN          7.00    (#    181:10  Unique         4.31, 4.33 A)
 &rst
  ixpk= 181, nxpk= 10, iat=1590,1570, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  134 LEU  HN          133 GLU  HN          4.50    (#    182:10  Unique         2.37, 2.43 A)
 &rst
  ixpk= 182, nxpk= 10, iat=2046,2031, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  132 ASP  HN          133 GLU  HN          4.50    (#    183:10  Unique         2.58, 2.65 A)
 &rst
  ixpk= 183, nxpk= 10, iat=2019,2031, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:184      0 AMB  10-1:184    5.50    (#    184:10  Double Ambig)
 &rst
  ixpk= 184, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1731,2021,
 igr2=1645,2031,
 &end
#
#    0 AMB  10-2:185    133 GLU  HN          3.50    (#    185:10  Single Ambig)
 &rst
  ixpk= 185, nxpk= 10, iat=  -1,2031, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2033,1966,
 &end
#
#  130 THR  HA          133 GLU  HN          5.50    (#    186:10  Unique         3.40, 3.55 A)
 &rst
  ixpk= 186, nxpk= 10, iat=1983,2031, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  131 ARG  HA          133 GLU  HN          7.00    (#    187:10  Unique         4.35, 4.39 A)
 &rst
  ixpk= 187, nxpk= 10, iat=1997,2031, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  132 ASP  HB+         133 GLU  HN          3.50    (#    188:10  Unique         2.64, 3.33 A)
 &rst
  ixpk= 188, nxpk= 10, iat=  -1,2031, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2023,2024,
 &end
#
#  133 GLU  HB+         133 GLU  HN          3.50    (#    189:10  Unique         2.38, 2.53 A)
 &rst
  ixpk= 189, nxpk= 10, iat=  -1,2031, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2035,2036,
 &end
#
#    0 AMB  10-2:190      0 AMB  10-1:190    3.50    (#    190:10  Double Ambig)
 &rst
  ixpk= 190, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1649,1650,2035,2036,
 igr2=1645,2031,
 &end
#
#    0 AMB  10-2:191      0 AMB  10-1:191    4.50    (#    191:10  Double Ambig)
 &rst
  ixpk= 191, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=2038,2039,1685,2087,2088,
 igr2=2031,1645,
 &end
#
#    0 AMB  10-2:192      0 AMB  10-1:192    5.50    (#    192:10  Double Ambig)
 &rst
  ixpk= 192, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1608,1609,1769,2053,
 igr2=1645,2031,
 &end
#
#    0 AMB  10-2:193    133 GLU  HN          5.50    (#    193:10  Single Ambig)
 &rst
  ixpk= 193, nxpk= 10, iat=  -1,2031, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1987,1988,1989,2099,2100,
 &end
#
#    0 AMB  10-2:194      0 AMB  10-1:194    5.50    (#    194:10  Double Ambig)
 &rst
  ixpk= 194, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1=1611,1790,1791,1792, 288, 289, 290,
 igr2=1645,2031,
 &end
#
#  135 GLU  HN          133 GLU  HN          7.00    (#    195:10  Unique         4.03, 4.07 A)
 &rst
  ixpk= 195, nxpk= 10, iat=2065,2031, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:196    133 GLU  HN          7.00    (#    196:10  Single Ambig)
 &rst
  ixpk= 196, nxpk= 10, iat=  -1,2031, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1999,2000,1971,1972,
 &end
#
#   81 LEU  HG          103 PHE  HN          5.50    (#    197:10  Unique         3.79, 3.89 A)
 &rst
  ixpk= 197, nxpk= 10, iat=1205,1570, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:198    103 PHE  HN          7.00    (#    198:10  Single Ambig)
 &rst
  ixpk= 198, nxpk= 10, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1580,1584,1668,
 &end
#
#    0 AMB  10-2:199    103 PHE  HN          7.00    (#    199:10  Single Ambig)
 &rst
  ixpk= 199, nxpk= 10, iat=  -1,1570, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
 igr1=1221,1222,1223,1313,1314,1539,1540,
 &end
#
#    0 AMB  10-2:201     35 ARG  HN          5.50    (#    201:10  Single Ambig)
 &rst
  ixpk= 201, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  33, 504,
 &end
#
#    0 AMB  10-2:202     35 ARG  HN          5.50    (#    202:10  Single Ambig)
 &rst
  ixpk= 202, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 544, 555,
 &end
#
#    5 PHE  QD           35 ARG  HN          7.00    (#    203:10  Unique         3.64, 5.62 A)
 &rst
  ixpk= 203, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  79,  87,
 &end
#
#   34 VAL  HA           35 ARG  HN          3.50    (#    204:10  Unique         2.14, 2.27 A)
 &rst
  ixpk= 204, nxpk= 10, iat= 506, 520, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   35 ARG  HB+          35 ARG  HN          5.50    (#    205:10  Unique         2.61, 3.34 A)
 &rst
  ixpk= 205, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 524, 525,
 &end
#
#    0 AMB  10-2:206     35 ARG  HN          4.50    (#    206:10  Single Ambig)
 &rst
  ixpk= 206, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 527, 528, 524, 525,
 &end
#
#    0 AMB  10-2:207      0 AMB  10-1:207    3.50    (#    207:10  Double Ambig)
 &rst
  ixpk= 207, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1788, 514, 515, 516,  37,
 igr2=1800, 520,
 &end
#
#    0 AMB  10-2:208      0 AMB  10-1:208    7.00    (#    208:10  Double Ambig)
 &rst
  ixpk= 208, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
 igr1=  62,  63,1775,1776,1777,
 igr2= 520,1800,
 &end
#
#    0 AMB  10-2:209      0 AMB  10-1:209    5.50    (#    209:10  Double Ambig)
 &rst
  ixpk= 209, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 510, 511, 512,1771,1772,1773,
 igr2= 520,1800,
 &end
#
#    0 AMB  10-2:210     35 ARG  HN          5.50    (#    210:10  Single Ambig)
 &rst
  ixpk= 210, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  58,  59,  60,  65,  66,  67,
 &end
#
#    4 ILE  HA           35 ARG  HN          4.50    (#    211:10  Unique         2.59, 2.76 A)
 &rst
  ixpk= 211, nxpk= 10, iat=  54, 520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  117 LEU  HN          118 ASP  HN          4.50    (#    212:10  Unique         2.89, 4.30 A)
 &rst
  ixpk= 212, nxpk= 10, iat=1781,1800, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  118 ASP  HA          118 ASP  HN          2.90    (#    214:10  Unique         2.32, 2.88 A)
 &rst
  ixpk= 214, nxpk= 10, iat=1802,1800, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  116 VAL  HA          118 ASP  HN          7.00    (#    215:10  Unique         4.44, 5.89 A)
 &rst
  ixpk= 215, nxpk= 10, iat=1767,1800, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  117 LEU  HA          118 ASP  HN          2.40    (#    217:10  Unique         2.18, 2.33 A)
 &rst
  ixpk= 217, nxpk= 10, iat=1783,1800, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,  &end
#
#    0 AMB  10-2:218      0 AMB  10-1:218    7.00    (#    218:10  Double Ambig)
 &rst
  ixpk= 218, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1983, 206, 207,
 igr2=1800, 520,
 &end
#
#    0 AMB  10-2:219      0 AMB  10-1:219    3.50    (#    219:10  Double Ambig)
 &rst
  ixpk= 219, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1804,1805, 530, 531,
 igr2=1800, 520,
 &end
#
#  118 ASP  HB-         118 ASP  HN          2.50    (#    220:10  Unique         2.33, 2.68 A)
 &rst
  ixpk= 220, nxpk= 10, iat=  -1,1800, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1804,1805,
 &end
#
#  117 LEU  HB+         118 ASP  HN          5.50    (#    221:10  Unique         2.91, 4.28 A)
 &rst
  ixpk= 221, nxpk= 10, iat=  -1,1800, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1785,1786,
 &end
#
#    0 AMB  10-2:222      0 AMB  10-1:222    4.50    (#    222:10  Double Ambig)
 &rst
  ixpk= 222, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 527, 528,1785,1786,
 igr2= 520,1800,
 &end
#
#  117 LEU  MD2         118 ASP  HN          5.50    (#    223:10  Unique         2.36, 4.33 A)
 &rst
  ixpk= 223, nxpk= 10, iat=  -1,1800, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1794,1795,1796,
 &end
#
#    0 AMB  10-2:224      0 AMB  10-1:224    5.50    (#    224:10  Double Ambig)
 &rst
  ixpk= 224, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1790,1791,1792,  43,  44,
 igr2=1800, 520,
 &end
#
#  104 THR  MG2         107 GLU  HN          5.50    (#    225:10  Unique         3.70, 4.55 A)
 &rst
  ixpk= 225, nxpk= 10, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1596,1597,1598,
 &end
#
#  104 THR  HN          107 GLU  HN          7.00    (#    226:10  Unique         3.84, 4.09 A)
 &rst
  ixpk= 226, nxpk= 10, iat=1590,1645, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  106 LYS  HN          107 GLU  HN          5.50    (#    227:10  Unique         2.37, 2.52 A)
 &rst
  ixpk= 227, nxpk= 10, iat=1623,1645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  109 VAL  HN          107 GLU  HN          7.00    (#    228:10  Unique         3.83, 4.12 A)
 &rst
  ixpk= 228, nxpk= 10, iat=1681,1645, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  104 THR  HA          107 GLU  HN          7.00    (#    230:10  Unique         4.40, 4.52 A)
 &rst
  ixpk= 230, nxpk= 10, iat=1592,1645, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:231    107 GLU  HN          7.00    (#    231:10  Single Ambig)
 &rst
  ixpk= 231, nxpk= 10, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1572,1229,
 &end
#
#  107 GLU  HA          107 GLU  HN          4.50    (#    233:10  Unique         2.78, 2.88 A)
 &rst
  ixpk= 233, nxpk= 10, iat=1647,1645, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  106 LYS  HA          107 GLU  HN          5.50    (#    234:10  Unique         3.39, 3.47 A)
 &rst
  ixpk= 234, nxpk= 10, iat=1625,1645, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  107 GLU  HG+         107 GLU  HN          4.50    (#    235:10  Unique         4.33, 4.47 A)
 &rst
  ixpk= 235, nxpk= 10, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1652,1653,
 &end
#
#  107 GLU  HB-         107 GLU  HN          3.50    (#    236:10  Unique         2.28, 2.49 A)
 &rst
  ixpk= 236, nxpk= 10, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1649,1650,
 &end
#
#  106 LYS  HB+         107 GLU  HN          4.50    (#    237:10  Unique         2.92, 3.68 A)
 &rst
  ixpk= 237, nxpk= 10, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1627,1628,
 &end
#
#  106 LYS  HD-         107 GLU  HN          7.00    (#    238:10  Unique         5.27, 5.78 A)
 &rst
  ixpk= 238, nxpk= 10, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1633,1634,
 &end
#
#    0 AMB  10-2:239      0 AMB  10-1:239    7.00    (#    239:10  Double Ambig)
 &rst
  ixpk= 239, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1633,1634,1785,1786,
 igr2=1645,2031,
 &end
#
#    0 AMB  10-2:240    107 GLU  HN          5.50    (#    240:10  Single Ambig)
 &rst
  ixpk= 240, nxpk= 10, iat=  -1,1645, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1630,1631,1691,1692,1693,1703,1704,1705,
 &end
#
#    0 AMB  10-2:241      0 AMB  10-1:241    7.00    (#    241:10  Double Ambig)
 &rst
  ixpk= 241, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1722,1723,1662,1944,
 igr2=1645,2031,
 &end
#
#    0 AMB  10-2:242      4 ILE  HN          5.50    (#    242:10  Single Ambig)
 &rst
  ixpk= 242, nxpk= 10, iat=  -1,  52, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1198,1182,
 &end
#
#    5 PHE  HN            4 ILE  HN          7.00    (#    243:10  Unique         4.20, 4.25 A)
 &rst
  ixpk= 243, nxpk= 10, iat=  71,  52, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   79 LEU  HN            4 ILE  HN          7.00    (#    244:10  Unique         3.75, 3.97 A)
 &rst
  ixpk= 244, nxpk= 10, iat=1163,  52, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    3 ILE  HA            4 ILE  HN          3.50    (#    245:10  Unique         2.24, 2.28 A)
 &rst
  ixpk= 245, nxpk= 10, iat=  35,  52, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80 VAL  HA            4 ILE  HN          5.50    (#    247:10  Unique         2.33, 2.46 A)
 &rst
  ixpk= 247, nxpk= 10, iat=1184,  52, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:248      4 ILE  HN          4.50    (#    248:10  Single Ambig)
 &rst
  ixpk= 248, nxpk= 10, iat=  -1,  52, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  56,  37,
 &end
#
#   77 ALA  MB            4 ILE  HN          5.50    (#    249:10  Unique         3.56, 4.37 A)
 &rst
  ixpk= 249, nxpk= 10, iat=  -1,  52, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1145,1146,1147,
 &end
#
#    3 ILE  HG1+          4 ILE  HN          5.50    (#    250:10  Unique         4.70, 5.05 A)
 &rst
  ixpk= 250, nxpk= 10, iat=  -1,  52, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  43,  44,
 &end
#
#   81 LEU  HB-           4 ILE  HN          5.50    (#    251:10  Unique         4.05, 5.02 A)
 &rst
  ixpk= 251, nxpk= 10, iat=  -1,  52, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1202,1203,
 &end
#
#    0 AMB  10-2:252      4 ILE  HN          5.50    (#    252:10  Single Ambig)
 &rst
  ixpk= 252, nxpk= 10, iat=  -1,  52, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1188,1189,1190,  97,  98,  99,  46,  47,  48,
 &end
#
#    0 AMB  10-2:253      4 ILE  HN          4.50    (#    253:10  Single Ambig)
 &rst
  ixpk= 253, nxpk= 10, iat=  -1,  52, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  58,  59,  60,1176,1177,1178,
 &end
#
#    3 ILE  QG2           4 ILE  HN          4.50    (#    254:10  Unique         2.60, 3.46 A)
 &rst
  ixpk= 254, nxpk= 10, iat=  -1,  52, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  39,  40,  41,
 &end
#
#    4 ILE  HG1-          4 ILE  HN          5.50    (#    255:10  Unique         2.47, 3.41 A)
 &rst
  ixpk= 255, nxpk= 10, iat=  -1,  52, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  62,  63,
 &end
#
#   88 LYS  HN           85 HIS  HN          7.00    (#    257:10  Unique         4.69, 4.72 A)
 &rst
  ixpk= 257, nxpk= 10, iat=1309,1258, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   85 HIS  HB+          85 HIS  HN          4.50    (#    258:10  Unique         2.25, 2.70 A)
 &rst
  ixpk= 258, nxpk= 10, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1262,1263,
 &end
#
#   84 THR  MG2          85 HIS  HN          5.50    (#    259:10  Unique         2.28, 4.50 A)
 &rst
  ixpk= 259, nxpk= 10, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1250,1251,1252,
 &end
#
#   86 GLN  HN           85 HIS  HN          7.00    (#    260:10  Unique         2.57, 2.65 A)
 &rst
  ixpk= 260, nxpk= 10, iat=1275,1258, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   85 HIS  HD2          85 HIS  HN          5.50    (#    261:10  Unique         2.61, 4.21 A)
 &rst
  ixpk= 261, nxpk= 10, iat=1271,1258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   84 THR  HA           85 HIS  HN          4.50    (#    262:10  Unique         2.29, 2.39 A)
 &rst
  ixpk= 262, nxpk= 10, iat=1246,1258, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84 THR  HB           85 HIS  HN          4.50    (#    264:10  Unique         2.39, 2.63 A)
 &rst
  ixpk= 264, nxpk= 10, iat=1248,1258, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   85 HIS  HA           85 HIS  HN          5.50    (#    265:10  Unique         2.82, 2.84 A)
 &rst
  ixpk= 265, nxpk= 10, iat=1260,1258, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85 HIS  HB-          85 HIS  HN          5.50    (#    266:10  Unique         2.25, 2.70 A)
 &rst
  ixpk= 266, nxpk= 10, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1262,1263,
 &end
#
#  104 THR  MG2          85 HIS  HN          5.50    (#    267:10  Unique         2.69, 3.46 A)
 &rst
  ixpk= 267, nxpk= 10, iat=  -1,1258, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1596,1597,1598,
 &end
#
#    2 ASP  HB-          33 ASN  HN          7.00    (#    268:10  Unique         3.95, 4.78 A)
 &rst
  ixpk= 268, nxpk= 10, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  25,  26,
 &end
#
#   33 ASN  HD2+         33 ASN  HN          7.00    (#    269:10  Unique         4.57, 5.34 A)
 &rst
  ixpk= 269, nxpk= 10, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 499, 500,
 &end
#
#   32 VAL  HN           33 ASN  HN          7.00    (#    270:10  Unique         4.32, 4.35 A)
 &rst
  ixpk= 270, nxpk= 10, iat= 474, 490, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    2 ASP  HA           33 ASN  HN          4.50    (#    271:10  Unique         2.44, 2.57 A)
 &rst
  ixpk= 271, nxpk= 10, iat=  23, 490, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:272     33 ASN  HN          4.50    (#    272:10  Single Ambig)
 &rst
  ixpk= 272, nxpk= 10, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 492, 506,
 &end
#
#   32 VAL  HA           33 ASN  HN          3.50    (#    273:10  Unique         2.37, 2.46 A)
 &rst
  ixpk= 273, nxpk= 10, iat= 476, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 ASN  HB+          33 ASN  HN          3.50    (#    274:10  Unique         2.75, 3.03 A)
 &rst
  ixpk= 274, nxpk= 10, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 494, 495,
 &end
#
#   32 VAL  HB           33 ASN  HN          3.50    (#    275:10  Unique         2.23, 2.29 A)
 &rst
  ixpk= 275, nxpk= 10, iat= 478, 490, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 VAL  MG1          33 ASN  HN          7.00    (#    276:10  Unique         3.63, 4.57 A)
 &rst
  ixpk= 276, nxpk= 10, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 510, 511, 512,
 &end
#
#   32 VAL  MG2          33 ASN  HN          4.50    (#    277:10  Unique         3.53, 4.25 A)
 &rst
  ixpk= 277, nxpk= 10, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 484, 485, 486,
 &end
#
#   32 VAL  MG1          33 ASN  HN          5.50    (#    278:10  Unique         3.95, 4.49 A)
 &rst
  ixpk= 278, nxpk= 10, iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 480, 481, 482,
 &end
#
#    7 CYS  HA            7 CYS  HN          7.00    (#    282:10  Unique         2.88, 2.93 A)
 &rst
  ixpk= 282, nxpk= 10, iat= 109, 107, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:283      7 CYS  HN          7.00    (#    283:10  Single Ambig)
 &rst
  ixpk= 283, nxpk= 10, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 120, 574,
 &end
#
#   83 MET  HB+           7 CYS  HN          5.50    (#    284:10  Unique         4.76, 6.01 A)
 &rst
  ixpk= 284, nxpk= 10, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1231,1232,
 &end
#
#   14 SER  HB+           7 CYS  HN          7.00    (#    287:10  Unique         3.72, 4.24 A)
 &rst
  ixpk= 287, nxpk= 10, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 206, 207,
 &end
#
#    0 AMB  10-2:288      7 CYS  HN          5.50    (#    288:10  Single Ambig)
 &rst
  ixpk= 288, nxpk= 10, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 555, 565,
 &end
#
#    6 VAL  HA            7 CYS  HN          3.50    (#    289:10  Unique         2.02, 2.07 A)
 &rst
  ixpk= 289, nxpk= 10, iat=  93, 107, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 VAL  MG2           7 CYS  HN          4.50    (#    290:10  Unique         2.45, 3.51 A)
 &rst
  ixpk= 290, nxpk= 10, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 101, 102, 103,
 &end
#
#    0 AMB  10-2:291      7 CYS  HN          5.50    (#    291:10  Single Ambig)
 &rst
  ixpk= 291, nxpk= 10, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 582, 583, 584,  97,  98,  99,
 &end
#
#   21 PHE  HN           24 ILE  HN          7.00    (#    292:10  Unique         4.60, 4.66 A)
 &rst
  ixpk= 292, nxpk= 10, iat= 298, 351, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  103 PHE  HA          108 TYR  HN          5.50    (#    296:10  Unique         5.03, 5.19 A)
 &rst
  ixpk= 296, nxpk= 10, iat=1572,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104 THR  HN          108 TYR  HN          7.00    (#    298:10  Unique         3.65, 3.83 A)
 &rst
  ixpk= 298, nxpk= 10, iat=1590,1660, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  112 SER  HN          108 TYR  HN          7.00    (#    299:10  Unique         5.35, 5.68 A)
 &rst
  ixpk= 299, nxpk= 10, iat=1718,1660, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  109 VAL  HN          108 TYR  HN          4.50    (#    300:10  Unique         2.75, 2.81 A)
 &rst
  ixpk= 300, nxpk= 10, iat=1681,1660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:301    108 TYR  HN          7.00    (#    301:10  Single Ambig)
 &rst
  ixpk= 301, nxpk= 10, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1578,1586,2237,2238,
 &end
#
#    0 AMB  10-2:302    108 TYR  HN          5.50    (#    302:10  Single Ambig)
 &rst
  ixpk= 302, nxpk= 10, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1586,1668,
 &end
#
#    0 AMB  10-2:303    108 TYR  HN          5.50    (#    303:10  Single Ambig)
 &rst
  ixpk= 303, nxpk= 10, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1647,1606,
 &end
#
#  108 TYR  HA          108 TYR  HN          4.50    (#    304:10  Unique         2.79, 2.81 A)
 &rst
  ixpk= 304, nxpk= 10, iat=1662,1660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103 PHE  HB+         108 TYR  HN          5.50    (#    305:10  Unique         3.02, 3.77 A)
 &rst
  ixpk= 305, nxpk= 10, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1574,1575,
 &end
#
#  107 GLU  HG+         108 TYR  HN          4.50    (#    306:10  Unique         3.54, 4.18 A)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1652,1653,
 &end
#
#  108 TYR  HB+         108 TYR  HN          3.50    (#    307:10  Unique         2.33, 2.47 A)
 &rst
  ixpk= 307, nxpk= 10, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1664,1665,
 &end
#
#  103 PHE  HB-         108 TYR  HN          5.50    (#    308:10  Unique         3.02, 3.77 A)
 &rst
  ixpk= 308, nxpk= 10, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1574,1575,
 &end
#
#  107 GLU  HG-         108 TYR  HN          4.50    (#    309:10  Unique         3.54, 4.18 A)
 &rst
  ixpk= 309, nxpk= 10, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1652,1653,
 &end
#
#  107 GLU  HB-         108 TYR  HN          5.50    (#    310:10  Unique         2.46, 3.21 A)
 &rst
  ixpk= 310, nxpk= 10, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1649,1650,
 &end
#
#  109 VAL  MG2         108 TYR  HN          5.50    (#    311:10  Unique         3.77, 5.04 A)
 &rst
  ixpk= 311, nxpk= 10, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1691,1692,1693,
 &end
#
#   81 LEU  HG          108 TYR  HN          5.50    (#    312:10  Unique         5.16, 5.33 A)
 &rst
  ixpk= 312, nxpk= 10, iat=1205,1660, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 ALA  HN           24 ILE  HN          5.50    (#    314:10  Unique         2.62, 2.66 A)
 &rst
  ixpk= 314, nxpk= 10, iat= 370, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 SER  HN           24 ILE  HN          5.50    (#    315:10  Unique         2.75, 2.79 A)
 &rst
  ixpk= 315, nxpk= 10, iat= 340, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 PHE  HA           24 ILE  HN          5.50    (#    316:10  Unique         3.07, 3.11 A)
 &rst
  ixpk= 316, nxpk= 10, iat= 300, 351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:317     24 ILE  HN          4.50    (#    317:10  Single Ambig)
 &rst
  ixpk= 317, nxpk= 10, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 344, 345, 281,
 &end
#
#   24 ILE  HA           24 ILE  HN          4.50    (#    318:10  Unique         2.85, 2.87 A)
 &rst
  ixpk= 318, nxpk= 10, iat= 353, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 ILE  HG1-         24 ILE  HN          3.50    (#    319:10  Unique         2.45, 3.12 A)
 &rst
  ixpk= 319, nxpk= 10, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 361, 362,
 &end
#
#   24 ILE  HB           24 ILE  HN          4.50    (#    320:10  Unique         2.32, 2.38 A)
 &rst
  ixpk= 320, nxpk= 10, iat= 355, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:321     24 ILE  HN          5.50    (#    321:10  Single Ambig)
 &rst
  ixpk= 321, nxpk= 10, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 374, 375, 376, 895, 896,
 &end
#
#    0 AMB  10-2:322     24 ILE  HN          3.50    (#    322:10  Single Ambig)
 &rst
  ixpk= 322, nxpk= 10, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 364, 365, 366, 357, 358, 359, 898, 899, 900,
 &end
#
#   22 LYS  HN           24 ILE  HN          7.00    (#    323:10  Unique         4.12, 4.18 A)
 &rst
  ixpk= 323, nxpk= 10, iat= 318, 351, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  103 PHE  HA          108 TYR  HN          7.00    (#    324:10  Unique         5.03, 5.19 A)
 &rst
  ixpk= 324, nxpk= 10, iat=1572,1660, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  127 TYR  QD          127 TYR  HN          5.50    (#    325:10  Unique         2.27, 3.65 A)
 &rst
  ixpk= 325, nxpk= 10, iat=  -1,1921, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1929,1938,
 &end
#
#  129 GLN  HA          127 TYR  HN          7.00    (#    326:10  Unique         6.92, 6.95 A)
 &rst
  ixpk= 326, nxpk= 10, iat=1966,1921, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  126 ILE  HN          127 TYR  HN          4.50    (#    327:10  Unique         2.36, 2.50 A)
 &rst
  ixpk= 327, nxpk= 10, iat=1902,1921, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  127 TYR  HD2         127 TYR  HN          4.70    (#    328:10  Unique         2.27, 3.55 A)
 &rst
  ixpk= 328, nxpk= 10, iat=1929,1921, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#    0 AMB  10-2:330    127 TYR  HN          5.50    (#    330:10  Single Ambig)
 &rst
  ixpk= 330, nxpk= 10, iat=  -1,1921, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1892,1822,
 &end
#
#  126 ILE  HA          127 TYR  HN          5.50    (#    331:10  Unique         3.54, 3.56 A)
 &rst
  ixpk= 331, nxpk= 10, iat=1904,1921, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:332    127 TYR  HN          4.50    (#    332:10  Single Ambig)
 &rst
  ixpk= 332, nxpk= 10, iat=  -1,1921, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1923,1873,
 &end
#
#  127 TYR  HB+         127 TYR  HN          4.50    (#    333:10  Unique         2.27, 2.97 A)
 &rst
  ixpk= 333, nxpk= 10, iat=  -1,1921, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1925,1926,
 &end
#
#  127 TYR  HB-         127 TYR  HN          4.50    (#    334:10  Unique         2.27, 2.97 A)
 &rst
  ixpk= 334, nxpk= 10, iat=  -1,1921, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1925,1926,
 &end
#
#  126 ILE  HB          127 TYR  HN          4.50    (#    335:10  Unique         2.57, 2.68 A)
 &rst
  ixpk= 335, nxpk= 10, iat=1906,1921, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  128 LYS  HB+         127 TYR  HN          5.50    (#    336:10  Unique         4.40, 5.17 A)
 &rst
  ixpk= 336, nxpk= 10, iat=  -1,1921, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1946,1947,
 &end
#
#    0 AMB  10-2:337    127 TYR  HN          5.50    (#    337:10  Single Ambig)
 &rst
  ixpk= 337, nxpk= 10, iat=  -1,1921, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1819,1820,1912,1913, 786, 787, 788,
 &end
#
#    0 AMB  10-2:338    127 TYR  HN          5.50    (#    338:10  Single Ambig)
 &rst
  ixpk= 338, nxpk= 10, iat=  -1,1921, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1881,1882,1875,
 &end
#
#  126 ILE  QG2         127 TYR  HN          5.50    (#    339:10  Unique         3.80, 4.57 A)
 &rst
  ixpk= 339, nxpk= 10, iat=  -1,1921, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1908,1909,1910,
 &end
#
#   40 PHE  QD           41 ALA  HN          7.00    (#    340:10  Unique         4.88, 5.55 A)
 &rst
  ixpk= 340, nxpk= 10, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 596, 604,
 &end
#
#   40 PHE  HB-          41 ALA  HN          7.00    (#    341:10  Unique         3.96, 4.29 A)
 &rst
  ixpk= 341, nxpk= 10, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 592, 593,
 &end
#
#   40 PHE  HN           41 ALA  HN          5.50    (#    342:10  Unique         2.25, 2.56 A)
 &rst
  ixpk= 342, nxpk= 10, iat= 588, 608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 PHE  HA           41 ALA  HN          4.50    (#    343:10  Unique         2.26, 2.89 A)
 &rst
  ixpk= 343, nxpk= 10, iat= 590, 608, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 ALA  HA           41 ALA  HN          5.50    (#    345:10  Unique         2.88, 2.91 A)
 &rst
  ixpk= 345, nxpk= 10, iat= 610, 608, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 PHE  HB+          41 ALA  HN          7.00    (#    346:10  Unique         3.96, 4.29 A)
 &rst
  ixpk= 346, nxpk= 10, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 592, 593,
 &end
#
#   41 ALA  MB           41 ALA  HN          3.50    (#    347:10  Unique         2.33, 2.99 A)
 &rst
  ixpk= 347, nxpk= 10, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 612, 613, 614,
 &end
#
#    0 AMB  10-2:348     41 ALA  HN          7.00    (#    348:10  Single Ambig)
 &rst
  ixpk= 348, nxpk= 10, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 574, 120,
 &end
#
#   52 VAL  HB           51 ALA  HN          7.00    (#    350:10  Unique         4.52, 4.54 A)
 &rst
  ixpk= 350, nxpk= 10, iat= 755, 741, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   95 PHE  QD           71 GLU  HN          7.00    (#    351:10  Unique         4.09, 5.69 A)
 &rst
  ixpk= 351, nxpk= 10, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1432,1440,
 &end
#
#    0 AMB  10-2:352    131 ARG  HN          7.00    (#    352:10  Single Ambig)
 &rst
  ixpk= 352, nxpk= 10, iat=  -1,1995, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1964,1921,
 &end
#
#  130 THR  HB          131 ARG  HN          4.50    (#    353:10  Unique         2.56, 2.86 A)
 &rst
  ixpk= 353, nxpk= 10, iat=1985,1995, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  130 THR  HA          131 ARG  HN          5.50    (#    354:10  Unique         3.56, 3.59 A)
 &rst
  ixpk= 354, nxpk= 10, iat=1983,1995, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:355    131 ARG  HN          3.50    (#    355:10  Single Ambig)
 &rst
  ixpk= 355, nxpk= 10, iat=  -1,1995, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1944,1997,
 &end
#
#  132 ASP  HB+         131 ARG  HN          5.50    (#    356:10  Unique         4.90, 5.05 A)
 &rst
  ixpk= 356, nxpk= 10, iat=  -1,1995, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2023,2024,
 &end
#
#  131 ARG  HB+         131 ARG  HN          4.50    (#    357:10  Unique         2.34, 3.03 A)
 &rst
  ixpk= 357, nxpk= 10, iat=  -1,1995, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1999,2000,
 &end
#
#    0 AMB  10-2:358    131 ARG  HN          5.50    (#    358:10  Single Ambig)
 &rst
  ixpk= 358, nxpk= 10, iat=  -1,1995, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 238, 239, 240,1968,1969,
 &end
#
#  131 ARG  HB-         131 ARG  HN          4.50    (#    359:10  Unique         2.34, 3.03 A)
 &rst
  ixpk= 359, nxpk= 10, iat=  -1,1995, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1999,2000,
 &end
#
#  131 ARG  QG          131 ARG  HN          4.50    (#    360:10  Unique         2.46, 3.40 A)
 &rst
  ixpk= 360, nxpk= 10, iat=  -1,1995, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2002,2003,
 &end
#
#    0 AMB  10-2:361    131 ARG  HN          5.50    (#    361:10  Single Ambig)
 &rst
  ixpk= 361, nxpk= 10, iat=  -1,1995, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 786, 787, 788,1819,1820,1785,1786,
 &end
#
#  130 THR  MG2         131 ARG  HN          5.50    (#    362:10  Unique         2.43, 3.94 A)
 &rst
  ixpk= 362, nxpk= 10, iat=  -1,1995, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1987,1988,1989,
 &end
#
#    0 AMB  10-2:363    131 ARG  HN          5.50    (#    363:10  Single Ambig)
 &rst
  ixpk= 363, nxpk= 10, iat=  -1,1995, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1790,1791,1792, 288, 289, 290, 286,
 &end
#
#  128 LYS  HN          127 TYR  HN          5.50    (#    366:10  Unique         2.52, 2.62 A)
 &rst
  ixpk= 366, nxpk= 10, iat=1942,1921, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:368    127 TYR  HN          5.50    (#    368:10  Single Ambig)
 &rst
  ixpk= 368, nxpk= 10, iat=  -1,1921, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1884,1885,1886,1877,1878,1879,1794,1795,1796,
 &end
#
#    0 AMB  10-2:369     51 ALA  HN          7.00    (#    369:10  Single Ambig)
 &rst
  ixpk= 369, nxpk= 10, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1= 690, 691, 692,1816,1817,
 &end
#
#   51 ALA  MB           51 ALA  HN          4.50    (#    370:10  Unique         2.41, 2.89 A)
 &rst
  ixpk= 370, nxpk= 10, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 745, 746, 747,
 &end
#
#    0 AMB  10-2:371     51 ALA  HN          5.50    (#    371:10  Single Ambig)
 &rst
  ixpk= 371, nxpk= 10, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 757, 758, 759, 761, 762, 763,
 &end
#
#   52 VAL  HN           51 ALA  HN          5.50    (#    372:10  Unique         2.61, 2.63 A)
 &rst
  ixpk= 372, nxpk= 10, iat= 751, 741, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 HIS  HA           51 ALA  HN          7.00    (#    373:10  Unique         3.57, 3.58 A)
 &rst
  ixpk= 373, nxpk= 10, iat= 726, 741, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   48 THR  HB           51 ALA  HN          7.00    (#    374:10  Unique         3.69, 3.75 A)
 &rst
  ixpk= 374, nxpk= 10, iat= 700, 741, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   51 ALA  HA           51 ALA  HN          5.50    (#    375:10  Unique         2.84, 2.85 A)
 &rst
  ixpk= 375, nxpk= 10, iat= 743, 741, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 HIS  HB2          51 ALA  HN          5.50    (#    376:10  Unique         2.95, 3.01 A)
 &rst
  ixpk= 376, nxpk= 10, iat= 728, 741, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:377     51 ALA  HN          5.50    (#    377:10  Single Ambig)
 &rst
  ixpk= 377, nxpk= 10, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 702, 703, 704, 786, 787, 788,
 &end
#
#    0 AMB  10-2:378     51 ALA  HN          7.00    (#    378:10  Single Ambig)
 &rst
  ixpk= 378, nxpk= 10, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1881,1882,1816,1817,
 &end
#
#    0 AMB  10-2:379     71 GLU  HN          7.00    (#    379:10  Single Ambig)
 &rst
  ixpk= 379, nxpk= 10, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1079,1098,
 &end
#
#   95 PHE  HD2          71 GLU  HN          5.50    (#    380:10  Unique         4.09, 4.28 A)
 &rst
  ixpk= 380, nxpk= 10, iat=1440,1049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 THR  HB           71 GLU  HN          3.50    (#    382:10  Unique         2.37, 2.41 A)
 &rst
  ixpk= 382, nxpk= 10, iat=1039,1049, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 GLU  HG+          71 GLU  HN          7.00    (#    383:10  Unique         4.27, 4.40 A)
 &rst
  ixpk= 383, nxpk= 10, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1056,1057,
 &end
#
#   71 GLU  HG-          71 GLU  HN          7.00    (#    384:10  Unique         4.27, 4.40 A)
 &rst
  ixpk= 384, nxpk= 10, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1056,1057,
 &end
#
#   71 GLU  HB+          71 GLU  HN          4.50    (#    385:10  Unique         2.26, 2.45 A)
 &rst
  ixpk= 385, nxpk= 10, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1053,1054,
 &end
#
#   72 GLU  HN           71 GLU  HN          5.50    (#    386:10  Unique         2.80, 2.81 A)
 &rst
  ixpk= 386, nxpk= 10, iat=1064,1049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 GLU  HA           71 GLU  HN          5.50    (#    387:10  Unique         2.76, 2.78 A)
 &rst
  ixpk= 387, nxpk= 10, iat=1051,1049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 GLU  HB-          71 GLU  HN          4.50    (#    388:10  Unique         2.26, 2.45 A)
 &rst
  ixpk= 388, nxpk= 10, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1053,1054,
 &end
#
#    0 AMB  10-2:389     71 GLU  HN          7.00    (#    389:10  Single Ambig)
 &rst
  ixpk= 389, nxpk= 10, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1068,1069,1006,1007,1119,1120,
 &end
#
#   70 THR  MG2          71 GLU  HN          5.50    (#    390:10  Unique         3.49, 4.26 A)
 &rst
  ixpk= 390, nxpk= 10, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1041,1042,1043,
 &end
#
#  138 LEU  HN          139 ARG  HN          4.50    (#    391:10  Unique         2.54, 2.62 A)
 &rst
  ixpk= 391, nxpk= 10, iat=2114,2133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  137 LEU  HN          139 ARG  HN          7.00    (#    392:10  Unique         3.99, 4.07 A)
 &rst
  ixpk= 392, nxpk= 10, iat=2095,2133, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  140 GLN  HN          139 ARG  HN          4.50    (#    393:10  Unique         2.63, 2.67 A)
 &rst
  ixpk= 393, nxpk= 10, iat=2157,2133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:394    139 ARG  HN          3.50    (#    394:10  Single Ambig)
 &rst
  ixpk= 394, nxpk= 10, iat=  -1,2133, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2135,2082,2097,
 &end
#
#  139 ARG  HD+         139 ARG  HN          5.50    (#    395:10  Unique         4.00, 4.93 A)
 &rst
  ixpk= 395, nxpk= 10, iat=  -1,2133, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2143,2144,
 &end
#
#    0 AMB  10-2:396    139 ARG  HN          3.50    (#    396:10  Single Ambig)
 &rst
  ixpk= 396, nxpk= 10, iat=  -1,2133, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2137,2138,2140,2141,
 &end
#
#  139 ARG  HB-         139 ARG  HN          4.50    (#    397:10  Unique         2.33, 2.76 A)
 &rst
  ixpk= 397, nxpk= 10, iat=  -1,2133, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2137,2138,
 &end
#
#  139 ARG  HG+         139 ARG  HN          4.50    (#    398:10  Unique         2.56, 3.84 A)
 &rst
  ixpk= 398, nxpk= 10, iat=  -1,2133, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2140,2141,
 &end
#
#    0 AMB  10-2:399    139 ARG  HN          5.50    (#    399:10  Single Ambig)
 &rst
  ixpk= 399, nxpk= 10, iat=  -1,2133, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=2178,2179,2197,2198,2199,2210,2211,
 &end
#
#    0 AMB  10-2:400    139 ARG  HN          5.50    (#    400:10  Single Ambig)
 &rst
  ixpk= 400, nxpk= 10, iat=  -1,2133, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2121,1691,1692,1693,
 &end
#
#    0 AMB  10-2:401    139 ARG  HN          4.50    (#    401:10  Single Ambig)
 &rst
  ixpk= 401, nxpk= 10, iat=  -1,2133, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 364, 365, 366, 357, 358, 359,
 &end
#
#  135 GLU  HA          139 ARG  HN          7.00    (#    402:10  Unique         3.92, 4.01 A)
 &rst
  ixpk= 402, nxpk= 10, iat=2067,2133, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:403    139 ARG  HN          4.50    (#    403:10  Single Ambig)
 &rst
  ixpk= 403, nxpk= 10, iat=  -1,2133, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2072,2073,2069,2070,
 &end
#
#    0 AMB  10-2:404    139 ARG  HN          5.50    (#    404:10  Single Ambig)
 &rst
  ixpk= 404, nxpk= 10, iat=  -1,2133, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2127,2128,2129,2108,2109,2110,
 &end
#
#   82 ALA  HN          105 LEU  HN          5.50    (#    405:10  Unique         3.67, 3.90 A)
 &rst
  ixpk= 405, nxpk= 10, iat=1217,1604, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106 LYS  HN          105 LEU  HN          5.50    (#    406:10  Unique         3.10, 3.20 A)
 &rst
  ixpk= 406, nxpk= 10, iat=1623,1604, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104 THR  HA          105 LEU  HN          3.50    (#    407:10  Unique         2.32, 2.34 A)
 &rst
  ixpk= 407, nxpk= 10, iat=1592,1604, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  105 LEU  HB+         105 LEU  HN          4.50    (#    409:10  Unique         2.24, 2.49 A)
 &rst
  ixpk= 409, nxpk= 10, iat=  -1,1604, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1608,1609,
 &end
#
#    0 AMB  10-2:410      0 AMB  10-1:410    4.50    (#    410:10  Double Ambig)
 &rst
  ixpk= 410, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
 igr1= 745, 746, 747,2210,2211,1202,1203,2140,2141,1633,
      1634,
 igr2= 767,2174,1604,
 &end
#
#  105 LEU  HB-         105 LEU  HN          3.50    (#    411:10  Unique         2.24, 2.49 A)
 &rst
  ixpk= 411, nxpk= 10, iat=  -1,1604, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1608,1609,
 &end
#
#  104 THR  MG2         105 LEU  HN          5.50    (#    412:10  Unique         2.25, 3.12 A)
 &rst
  ixpk= 412, nxpk= 10, iat=  -1,1604, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1596,1597,1598,
 &end
#
#   81 LEU  HG          105 LEU  HN          7.00    (#    413:10  Unique         5.81, 5.90 A)
 &rst
  ixpk= 413, nxpk= 10, iat=1205,1604, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:414      0 AMB  10-1:414    5.50    (#    414:10  Double Ambig)
 &rst
  ixpk= 414, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1611, 357, 358, 359,
 igr2=1604,2174,
 &end
#
#    0 AMB  10-2:415    131 ARG  HN          7.00    (#    415:10  Single Ambig)
 &rst
  ixpk= 415, nxpk= 10, iat=  -1,1995, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2050,2051,1968,1969,
 &end
#
#    0 AMB  10-2:416     69 LEU  HN          7.00    (#    416:10  Single Ambig)
 &rst
  ixpk= 416, nxpk= 10, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 582, 583, 584,  97,  98,  99,
 &end
#
#   38 GLY  HN           69 LEU  HN          5.50    (#    417:10  Unique         2.69, 2.91 A)
 &rst
  ixpk= 417, nxpk= 10, iat= 565,1016, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 PRO  HA           69 LEU  HN          3.50    (#    418:10  Unique         2.23, 2.30 A)
 &rst
  ixpk= 418, nxpk= 10, iat=1012,1016, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 LEU  HA           69 LEU  HN          5.50    (#    419:10  Unique         2.92, 2.96 A)
 &rst
  ixpk= 419, nxpk= 10, iat=1018,1016, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 PRO  HB+          69 LEU  HN          5.50    (#    420:10  Unique         2.86, 3.37 A)
 &rst
  ixpk= 420, nxpk= 10, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1009,1010,
 &end
#
#   69 LEU  HB+          69 LEU  HN          3.50    (#    421:10  Unique         2.36, 2.60 A)
 &rst
  ixpk= 421, nxpk= 10, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1020,1021,
 &end
#
#    0 AMB  10-2:422     69 LEU  HN          4.50    (#    422:10  Single Ambig)
 &rst
  ixpk= 422, nxpk= 10, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 559, 560, 561, 612, 613, 614,
 &end
#
#   69 LEU  HB-          69 LEU  HN          3.50    (#    423:10  Unique         2.36, 2.60 A)
 &rst
  ixpk= 423, nxpk= 10, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1020,1021,
 &end
#
#    0 AMB  10-2:424     69 LEU  HN          5.50    (#    424:10  Single Ambig)
 &rst
  ixpk= 424, nxpk= 10, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1025,1026,1027,  58,  59,  60,
 &end
#
#    0 AMB  10-2:425     69 LEU  HN          7.00    (#    425:10  Single Ambig)
 &rst
  ixpk= 425, nxpk= 10, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 557,1039,
 &end
#
#   76 SER  HA           77 ALA  HN          5.50    (#    432:10  Unique         3.58, 3.60 A)
 &rst
  ixpk= 432, nxpk= 10, iat=1132,1141, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 ALA  HA           77 ALA  HN          4.50    (#    433:10  Unique         2.87, 2.90 A)
 &rst
  ixpk= 433, nxpk= 10, iat=1143,1141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:434     77 ALA  HN          4.50    (#    434:10  Single Ambig)
 &rst
  ixpk= 434, nxpk= 10, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1134,1135,1100,
 &end
#
#   75 GLU  HA           77 ALA  HN          7.00    (#    435:10  Unique         3.88, 4.16 A)
 &rst
  ixpk= 435, nxpk= 10, iat=1117,1141, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:436     77 ALA  HN          7.00    (#    436:10  Single Ambig)
 &rst
  ixpk= 436, nxpk= 10, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1=1086,1542,1543,1083,1084,
 &end
#
#   77 ALA  MB           77 ALA  HN          3.50    (#    437:10  Unique         2.45, 2.92 A)
 &rst
  ixpk= 437, nxpk= 10, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1145,1146,1147,
 &end
#
#    0 AMB  10-2:438     77 ALA  HN          7.00    (#    438:10  Single Ambig)
 &rst
  ixpk= 438, nxpk= 10, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1192,1193,1194,1025,1026,1027,
 &end
#
#    4 ILE  QD1          77 ALA  HN          5.50    (#    439:10  Unique         3.30, 4.29 A)
 &rst
  ixpk= 439, nxpk= 10, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  65,  66,  67,
 &end
#
#  115 ASP  HA          115 ASP  HN          2.90    (#    441:10  Unique         2.90, 2.96 A)
 &rst
  ixpk= 441, nxpk= 10, iat=1755,1753, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  115 ASP  HB+         115 ASP  HN          3.00    (#    443:10  Unique         2.64, 2.96 A)
 &rst
  ixpk= 443, nxpk= 10, iat=  -1,1753, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1757,1758,
 &end
#
#  106 LYS  HG+         115 ASP  HN          7.00    (#    444:10  Unique         2.96, 3.53 A)
 &rst
  ixpk= 444, nxpk= 10, iat=  -1,1753, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1630,1631,
 &end
#
#  115 ASP  HB-         115 ASP  HN          3.00    (#    446:10  Unique         2.64, 2.96 A)
 &rst
  ixpk= 446, nxpk= 10, iat=  -1,1753, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1757,1758,
 &end
#
#    0 AMB  10-2:448      0 AMB  10-1:448    3.50    (#    448:10  Double Ambig)
 &rst
  ixpk= 448, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 771, 772,2102,1234,1235,1238,1239,1240,
 igr2= 767,2174,1604,
 &end
#
#    0 AMB  10-2:449      0 AMB  10-1:449    3.50    (#    449:10  Double Ambig)
 &rst
  ixpk= 449, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 757, 758, 759,1687,1688,1689,
 igr2= 767,2174,
 &end
#
#  138 LEU  HN          141 LEU  HN          7.00    (#    450:10  Unique         4.46, 4.57 A)
 &rst
  ixpk= 450, nxpk= 10, iat=2114,2174, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  142 ALA  HN          141 LEU  HN          4.50    (#    451:10  Unique         2.80, 2.82 A)
 &rst
  ixpk= 451, nxpk= 10, iat=2193,2174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 PHE  QE          141 LEU  HN          7.00    (#    452:10  Unique         4.15, 6.42 A)
 &rst
  ixpk= 452, nxpk= 10, iat=  -1,2174, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 308, 312,
 &end
#
#  141 LEU  HA          141 LEU  HN          4.50    (#    453:10  Unique         2.77, 2.82 A)
 &rst
  ixpk= 453, nxpk= 10, iat=2176,2174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:454      0 AMB  10-1:454    4.50    (#    454:10  Double Ambig)
 &rst
  ixpk= 454, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1606,2116,
 igr2=1604,2174,
 &end
#
#    0 AMB  10-2:455      0 AMB  10-1:455    3.50    (#    455:10  Double Ambig)
 &rst
  ixpk= 455, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 769,2159,2097,
 igr2= 767,2174,
 &end
#
#    0 AMB  10-2:456      0 AMB  10-1:456    7.00    (#    456:10  Double Ambig)
 &rst
  ixpk= 456, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=2164,2165,1757,1758,
 igr2=2174,1604,
 &end
#
#    0 AMB  10-2:457    141 LEU  HN          3.50    (#    457:10  Single Ambig)
 &rst
  ixpk= 457, nxpk= 10, iat=  -1,2174, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2178,2179,2161,2162,
 &end
#
#  141 LEU  HB-         141 LEU  HN          3.50    (#    458:10  Unique         2.12, 2.74 A)
 &rst
  ixpk= 458, nxpk= 10, iat=  -1,2174, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2178,2179,
 &end
#
#    0 AMB  10-2:459      0 AMB  10-1:459    4.50    (#    459:10  Double Ambig)
 &rst
  ixpk= 459, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1691,1692,1693,2121,1775,1776,1777,
 igr2=2174,1604,
 &end
#
#    0 AMB  10-2:460      0 AMB  10-1:460    3.50    (#    460:10  Double Ambig)
 &rst
  ixpk= 460, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=2183,2184,2185,1884,1885,1886,
 igr2=2174, 767,
 &end
#
#  141 LEU  HG          141 LEU  HN          5.50    (#    461:10  Unique         4.04, 4.17 A)
 &rst
  ixpk= 461, nxpk= 10, iat=2181,2174, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  140 GLN  HN          141 LEU  HN          4.50    (#    462:10  Unique         2.63, 2.68 A)
 &rst
  ixpk= 462, nxpk= 10, iat=2157,2174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 THR  MG2          69 LEU  HN          7.00    (#    468:10  Unique         4.09, 5.19 A)
 &rst
  ixpk= 468, nxpk= 10, iat=  -1,1016, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1041,1042,1043,
 &end
#
#   78 ASP  HN           77 ALA  HN          7.00    (#    470:10  Unique         4.56, 4.59 A)
 &rst
  ixpk= 470, nxpk= 10, iat=1151,1141, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   75 GLU  HN           77 ALA  HN          7.00    (#    471:10  Unique         4.00, 4.12 A)
 &rst
  ixpk= 471, nxpk= 10, iat=1115,1141, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:472     77 ALA  HN          7.00    (#    472:10  Single Ambig)
 &rst
  ixpk= 472, nxpk= 10, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=  25,  26,1155,1156,
 &end
#
#   75 GLU  HB-          77 ALA  HN          7.00    (#    473:10  Unique         5.24, 5.43 A)
 &rst
  ixpk= 473, nxpk= 10, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1119,1120,
 &end
#
#    0 AMB  10-2:474      0 AMB  10-1:474    7.00    (#    474:10  Double Ambig)
 &rst
  ixpk= 474, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.99, r4=11.49,
 igr1= 792,1765,2095,1681,1309,
 igr2= 767,1604,2174,
 &end
#
#   52 VAL  HN           53 GLU  HN          5.50    (#    475:10  Unique         2.62, 2.65 A)
 &rst
  ixpk= 475, nxpk= 10, iat= 751, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 HIS  HA           53 GLU  HN          5.50    (#    476:10  Unique         3.02, 3.05 A)
 &rst
  ixpk= 476, nxpk= 10, iat= 726, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:477      0 AMB  10-1:477    7.00    (#    477:10  Double Ambig)
 &rst
  ixpk= 477, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 784,1625,2205, 712,
 igr2= 767,1604,2174,
 &end
#
#   52 VAL  HA           53 GLU  HN          5.50    (#    478:10  Unique         3.52, 3.53 A)
 &rst
  ixpk= 478, nxpk= 10, iat= 753, 767, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:479     53 GLU  HN          3.50    (#    479:10  Single Ambig)
 &rst
  ixpk= 479, nxpk= 10, iat=  -1, 767, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 755, 774, 775,
 &end
#
#    0 AMB  10-2:480      0 AMB  10-1:480    3.50    (#    480:10  Double Ambig)
 &rst
  ixpk= 480, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 771, 772,2161,2162,
 igr2= 767,2174,
 &end
#
#   86 GLN  HB+          86 GLN  HN          5.50    (#    483:10  Unique         2.45, 2.55 A)
 &rst
  ixpk= 483, nxpk= 10, iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1279,1280,
 &end
#
#   86 GLN  HB-          86 GLN  HN          5.50    (#    484:10  Unique         2.45, 2.55 A)
 &rst
  ixpk= 484, nxpk= 10, iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1279,1280,
 &end
#
#   84 THR  HB           86 GLN  HN          5.50    (#    485:10  Unique         2.48, 2.85 A)
 &rst
  ixpk= 485, nxpk= 10, iat=1248,1275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   86 GLN  HA           86 GLN  HN          5.50    (#    486:10  Unique         2.82, 2.84 A)
 &rst
  ixpk= 486, nxpk= 10, iat=1277,1275, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  118 ASP  HA          120 PHE  HN          5.50    (#    488:10  Unique         3.58, 3.72 A)
 &rst
  ixpk= 488, nxpk= 10, iat=1802,1826, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  118 ASP  HB-         120 PHE  HN          7.00    (#    489:10  Unique         4.16, 4.68 A)
 &rst
  ixpk= 489, nxpk= 10, iat=  -1,1826, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1804,1805,
 &end
#
#  120 PHE  QD          120 PHE  HN          5.50    (#    490:10  Unique         4.48, 4.73 A)
 &rst
  ixpk= 490, nxpk= 10, iat=  -1,1826, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1834,1842,
 &end
#
#  119 PRO  HA          120 PHE  HN          3.50    (#    492:10  Unique         3.37, 3.44 A)
 &rst
  ixpk= 492, nxpk= 10, iat=1822,1826, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  119 PRO  HD3         120 PHE  HN          4.50    (#    494:10  Unique         3.71, 3.98 A)
 &rst
  ixpk= 494, nxpk= 10, iat=1814,1826, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  120 PHE  HB-         120 PHE  HN          5.50    (#    495:10  Unique         2.36, 2.51 A)
 &rst
  ixpk= 495, nxpk= 10, iat=  -1,1826, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1830,1831,
 &end
#
#  119 PRO  HD2         120 PHE  HN          3.50    (#    496:10  Unique         2.34, 2.75 A)
 &rst
  ixpk= 496, nxpk= 10, iat=1813,1826, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:497    120 PHE  HN          5.50    (#    497:10  Single Ambig)
 &rst
  ixpk= 497, nxpk= 10, iat=  -1,1826, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1819,1820, 702, 703, 704,
 &end
#
#  119 PRO  HG+         120 PHE  HN          5.50    (#    498:10  Unique         2.93, 3.76 A)
 &rst
  ixpk= 498, nxpk= 10, iat=  -1,1826, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1816,1817,
 &end
#
#  119 PRO  HG-         120 PHE  HN          5.50    (#    499:10  Unique         2.93, 3.76 A)
 &rst
  ixpk= 499, nxpk= 10, iat=  -1,1826, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1816,1817,
 &end
#
#   89 GLN  HG+          90 ILE  HN          7.00    (#    509:10  Unique         4.52, 4.95 A)
 &rst
  ixpk= 509, nxpk= 10, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1338,1339,
 &end
#
#   91 ILE  HN           90 ILE  HN          5.50    (#    510:10  Unique         2.62, 2.64 A)
 &rst
  ixpk= 510, nxpk= 10, iat=1367,1348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:511     90 ILE  HN          7.00    (#    511:10  Single Ambig)
 &rst
  ixpk= 511, nxpk= 10, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1309,1396,
 &end
#
#   39 VAL  MG2          90 ILE  HN          5.50    (#    512:10  Unique         5.07, 6.26 A)
 &rst
  ixpk= 512, nxpk= 10, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 582, 583, 584,
 &end
#
#    0 AMB  10-2:513     90 ILE  HN          7.00    (#    513:10  Single Ambig)
 &rst
  ixpk= 513, nxpk= 10, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1=1313,1314,1221,1222,1223,
 &end
#
#    0 AMB  10-2:520     90 ILE  HN          7.00    (#    520:10  Single Ambig)
 &rst
  ixpk= 520, nxpk= 10, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1311,1369,
 &end
#
#   89 GLN  HN           90 ILE  HN          5.50    (#    521:10  Unique         2.70, 2.73 A)
 &rst
  ixpk= 521, nxpk= 10, iat=1331,1348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87 HIS  HA           90 ILE  HN          5.50    (#    522:10  Unique         3.07, 3.26 A)
 &rst
  ixpk= 522, nxpk= 10, iat=1294,1348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   86 GLN  HA           90 ILE  HN          7.00    (#    523:10  Unique         3.99, 4.13 A)
 &rst
  ixpk= 523, nxpk= 10, iat=1277,1348, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:524     90 ILE  HN          5.50    (#    524:10  Single Ambig)
 &rst
  ixpk= 524, nxpk= 10, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1333,1400,1401,
 &end
#
#   90 ILE  HA           90 ILE  HN          4.50    (#    525:10  Unique         2.86, 2.87 A)
 &rst
  ixpk= 525, nxpk= 10, iat=1350,1348, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:526     90 ILE  HN          5.50    (#    526:10  Single Ambig)
 &rst
  ixpk= 526, nxpk= 10, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1282,1283,1338,1339,
 &end
#
#   89 GLN  HB-          90 ILE  HN          4.50    (#    527:10  Unique         2.84, 3.29 A)
 &rst
  ixpk= 527, nxpk= 10, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1335,1336,
 &end
#
#    0 AMB  10-2:528     90 ILE  HN          3.50    (#    528:10  Single Ambig)
 &rst
  ixpk= 528, nxpk= 10, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1358,1359,1352,
 &end
#
#   90 ILE  HG1+         90 ILE  HN          4.50    (#    529:10  Unique         2.31, 3.07 A)
 &rst
  ixpk= 529, nxpk= 10, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1358,1359,
 &end
#
#   90 ILE  QD1          90 ILE  HN          4.50    (#    530:10  Unique         3.56, 4.27 A)
 &rst
  ixpk= 530, nxpk= 10, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1361,1362,1363,
 &end
#
#    0 AMB  10-2:534    126 ILE  HN          7.00    (#    534:10  Single Ambig)
 &rst
  ixpk= 534, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1881,1882,1875,
 &end
#
#  127 TYR  HB+         126 ILE  HN          7.00    (#    535:10  Unique         4.31, 5.29 A)
 &rst
  ixpk= 535, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1925,1926,
 &end
#
#   24 ILE  HN           25 ALA  HN          4.50    (#    536:10  Unique         2.62, 2.66 A)
 &rst
  ixpk= 536, nxpk= 10, iat= 351, 370, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:537     25 ALA  HN          4.50    (#    537:10  Single Ambig)
 &rst
  ixpk= 537, nxpk= 10, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 380, 395,
 &end
#
#   21 PHE  HD2          25 ALA  HN          7.00    (#    538:10  Unique         4.25, 4.49 A)
 &rst
  ixpk= 538, nxpk= 10, iat= 314, 370, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   23 SER  HN           25 ALA  HN          7.00    (#    539:10  Unique         4.18, 4.20 A)
 &rst
  ixpk= 539, nxpk= 10, iat= 340, 370, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   21 PHE  HA           25 ALA  HN          5.50    (#    540:10  Unique         3.66, 3.73 A)
 &rst
  ixpk= 540, nxpk= 10, iat= 300, 370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:541     25 ALA  HN          5.50    (#    541:10  Single Ambig)
 &rst
  ixpk= 541, nxpk= 10, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 344, 345, 382,2195, 397,
 &end
#
#   22 LYS  HA           25 ALA  HN          5.50    (#    542:10  Unique         3.33, 3.43 A)
 &rst
  ixpk= 542, nxpk= 10, iat= 320, 370, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:543     25 ALA  HN          3.50    (#    543:10  Single Ambig)
 &rst
  ixpk= 543, nxpk= 10, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 372, 353,
 &end
#
#    0 AMB  10-2:544     25 ALA  HN          5.50    (#    544:10  Single Ambig)
 &rst
  ixpk= 544, nxpk= 10, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 384, 385, 426, 427,
 &end
#
#    0 AMB  10-2:545     25 ALA  HN          5.50    (#    545:10  Single Ambig)
 &rst
  ixpk= 545, nxpk= 10, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 361, 362, 322, 323,
 &end
#
#   28 GLU  HB-          25 ALA  HN          7.00    (#    546:10  Unique         4.91, 5.69 A)
 &rst
  ixpk= 546, nxpk= 10, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 423, 424,
 &end
#
#   24 ILE  HB           25 ALA  HN          4.50    (#    547:10  Unique         2.84, 2.93 A)
 &rst
  ixpk= 547, nxpk= 10, iat= 355, 370, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:548     25 ALA  HN          5.50    (#    548:10  Single Ambig)
 &rst
  ixpk= 548, nxpk= 10, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 445, 446,2197,2198,2199, 325, 326,
 &end
#
#    0 AMB  10-2:549     25 ALA  HN          7.00    (#    549:10  Single Ambig)
 &rst
  ixpk= 549, nxpk= 10, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1= 445, 446, 514, 515, 516,
 &end
#
#   24 ILE  HG1+         25 ALA  HN          5.50    (#    550:10  Unique         4.57, 4.91 A)
 &rst
  ixpk= 550, nxpk= 10, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 361, 362,
 &end
#
#   25 ALA  MB           25 ALA  HN          3.50    (#    551:10  Unique         2.50, 2.90 A)
 &rst
  ixpk= 551, nxpk= 10, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 374, 375, 376,
 &end
#
#    0 AMB  10-2:552     25 ALA  HN          3.50    (#    552:10  Single Ambig)
 &rst
  ixpk= 552, nxpk= 10, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 357, 358, 359, 484, 485, 486, 364, 365, 366,
 &end
#
#  128 LYS  HN          126 ILE  HN          5.50    (#    556:10  Unique         3.77, 3.89 A)
 &rst
  ixpk= 556, nxpk= 10, iat=1942,1902, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:557    126 ILE  HN          3.50    (#    557:10  Single Ambig)
 &rst
  ixpk= 557, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1921,1890,
 &end
#
#    0 AMB  10-2:559    126 ILE  HN          5.50    (#    559:10  Single Ambig)
 &rst
  ixpk= 559, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1892,1864,1865,
 &end
#
#  126 ILE  HA          126 ILE  HN          3.50    (#    560:10  Unique         2.87, 2.89 A)
 &rst
  ixpk= 560, nxpk= 10, iat=1904,1902, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  125 ASP  HB+         126 ILE  HN          5.50    (#    561:10  Unique         2.71, 3.48 A)
 &rst
  ixpk= 561, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1894,1895,
 &end
#
#  125 ASP  HB-         126 ILE  HN          4.50    (#    562:10  Unique         2.71, 3.48 A)
 &rst
  ixpk= 562, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1894,1895,
 &end
#
#  126 ILE  HB          126 ILE  HN          3.50    (#    563:10  Unique         2.58, 2.61 A)
 &rst
  ixpk= 563, nxpk= 10, iat=1906,1902, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  126 ILE  HG1-        126 ILE  HN          4.50    (#    564:10  Unique         2.10, 2.91 A)
 &rst
  ixpk= 564, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1912,1913,
 &end
#
#  123 SER  HN          126 ILE  HN          5.50    (#    565:10  Unique         3.37, 3.44 A)
 &rst
  ixpk= 565, nxpk= 10, iat=1860,1902, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:566    126 ILE  HN          5.50    (#    566:10  Single Ambig)
 &rst
  ixpk= 566, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1873,1923,
 &end
#
#  126 ILE  HG1+        126 ILE  HN          3.50    (#    567:10  Unique         2.10, 2.91 A)
 &rst
  ixpk= 567, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1912,1913,
 &end
#
#  126 ILE  QG2         126 ILE  HN          4.50    (#    568:10  Unique         4.46, 4.57 A)
 &rst
  ixpk= 568, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1908,1909,1910,
 &end
#
#  126 ILE  QD1         126 ILE  HN          5.50    (#    569:10  Unique         3.13, 3.96 A)
 &rst
  ixpk= 569, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1915,1916,1917,
 &end
#
#   67 SER  HN           66 SER  HN          7.00    (#    570:10  Unique         4.62, 4.63 A)
 &rst
  ixpk= 570, nxpk= 10, iat= 991, 980, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   46 LYS  HN           66 SER  HN          7.00    (#    571:10  Unique         4.11, 4.43 A)
 &rst
  ixpk= 571, nxpk= 10, iat= 664, 980, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:572     66 SER  HN          5.50    (#    572:10  Single Ambig)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 657, 686,
 &end
#
#   46 LYS  HA           66 SER  HN          5.50    (#    573:10  Unique         2.60, 2.80 A)
 &rst
  ixpk= 573, nxpk= 10, iat= 666, 980, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 SER  HA           66 SER  HN          4.50    (#    575:10  Unique         2.79, 2.82 A)
 &rst
  ixpk= 575, nxpk= 10, iat= 982, 980, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 VAL  HA           66 SER  HN          3.50    (#    576:10  Unique         2.10, 2.14 A)
 &rst
  ixpk= 576, nxpk= 10, iat= 966, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 SER  HB+          66 SER  HN          5.50    (#    578:10  Unique         2.30, 2.99 A)
 &rst
  ixpk= 578, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 984, 985,
 &end
#
#   66 SER  HB-          66 SER  HN          4.50    (#    579:10  Unique         2.30, 2.99 A)
 &rst
  ixpk= 579, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 984, 985,
 &end
#
#    0 AMB  10-2:580     66 SER  HN          5.50    (#    580:10  Single Ambig)
 &rst
  ixpk= 580, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 668, 669, 968,
 &end
#
#   65 VAL  MG1          66 SER  HN          4.50    (#    581:10  Unique         3.00, 3.78 A)
 &rst
  ixpk= 581, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 970, 971, 972,
 &end
#
#   65 VAL  HN           66 SER  HN          7.00    (#    582:10  Unique         3.98, 4.16 A)
 &rst
  ixpk= 582, nxpk= 10, iat= 964, 980, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:583     66 SER  HN          5.50    (#    583:10  Single Ambig)
 &rst
  ixpk= 583, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 159, 160, 161, 612, 613, 614,
 &end
#
#   65 VAL  MG2          66 SER  HN          5.50    (#    584:10  Unique         4.41, 5.12 A)
 &rst
  ixpk= 584, nxpk= 10, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 974, 975, 976,
 &end
#
#  148 ASP  HA          149 ARG  HN          4.50    (#    586:10  Unique         2.15, 2.50 A)
 &rst
  ixpk= 586, nxpk= 10, iat=2307,2317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  149 ARG  HA          149 ARG  HN          4.50    (#    589:10  Unique         2.18, 2.74 A)
 &rst
  ixpk= 589, nxpk= 10, iat=2319,2317, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  145 LEU  HA          149 ARG  HN          7.00    (#    590:10  Unique         3.46, 4.90 A)
 &rst
  ixpk= 590, nxpk= 10, iat=2244,2317, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:591    149 ARG  HN          7.00    (#    591:10  Single Ambig)
 &rst
  ixpk= 591, nxpk= 10, iat=  -1,2317, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2263,2227,
 &end
#
#  148 ASP  HB+         149 ARG  HN          7.00    (#    592:10  Unique         1.99, 3.77 A)
 &rst
  ixpk= 592, nxpk= 10, iat=  -1,2317, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2309,2310,
 &end
#
#  148 ASP  HB-         149 ARG  HN          5.50    (#    593:10  Unique         1.99, 3.77 A)
 &rst
  ixpk= 593, nxpk= 10, iat=  -1,2317, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2309,2310,
 &end
#
#  149 ARG  HB+         149 ARG  HN          5.50    (#    594:10  Unique         2.27, 2.91 A)
 &rst
  ixpk= 594, nxpk= 10, iat=  -1,2317, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2321,2322,
 &end
#
#  149 ARG  HB-         149 ARG  HN          5.50    (#    595:10  Unique         2.27, 2.91 A)
 &rst
  ixpk= 595, nxpk= 10, iat=  -1,2317, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2321,2322,
 &end
#
#  149 ARG  HG+         149 ARG  HN          5.50    (#    596:10  Unique         2.24, 4.17 A)
 &rst
  ixpk= 596, nxpk= 10, iat=  -1,2317, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2324,2325,
 &end
#
#    0 AMB  10-2:597    149 ARG  HN          7.00    (#    597:10  Single Ambig)
 &rst
  ixpk= 597, nxpk= 10, iat=  -1,2317, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2327,2328,2351,2352,
 &end
#
#   95 PHE  HA           94 GLN  HN          7.00    (#    598:10  Unique         5.15, 5.20 A)
 &rst
  ixpk= 598, nxpk= 10, iat=1426,1407, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   95 PHE  HN           94 GLN  HN          3.50    (#    599:10  Unique         2.49, 2.52 A)
 &rst
  ixpk= 599, nxpk= 10, iat=1424,1407, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   95 PHE  QD           94 GLN  HN          5.50    (#    600:10  Unique         5.39, 5.68 A)
 &rst
  ixpk= 600, nxpk= 10, iat=  -1,1407, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1432,1440,
 &end
#
#   95 PHE  HD2          94 GLN  HN          7.00    (#    601:10  Unique         5.39, 5.44 A)
 &rst
  ixpk= 601, nxpk= 10, iat=1440,1407, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   93 SER  HA           94 GLN  HN          5.50    (#    603:10  Unique         3.55, 3.58 A)
 &rst
  ixpk= 603, nxpk= 10, iat=1398,1407, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:604     94 GLN  HN          3.50    (#    604:10  Single Ambig)
 &rst
  ixpk= 604, nxpk= 10, iat=  -1,1407, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1400,1401,1409,
 &end
#
#    0 AMB  10-2:605     94 GLN  HN          5.50    (#    605:10  Single Ambig)
 &rst
  ixpk= 605, nxpk= 10, iat=  -1,1407, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1350,1388,
 &end
#
#   91 ILE  HA           94 GLN  HN          5.50    (#    606:10  Unique         3.50, 3.52 A)
 &rst
  ixpk= 606, nxpk= 10, iat=1369,1407, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 PHE  HB-          94 GLN  HN          7.00    (#    607:10  Unique         4.65, 5.37 A)
 &rst
  ixpk= 607, nxpk= 10, iat=  -1,1407, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1428,1429,
 &end
#
#   94 GLN  HG+          94 GLN  HN          4.50    (#    608:10  Unique         2.24, 2.67 A)
 &rst
  ixpk= 608, nxpk= 10, iat=  -1,1407, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1414,1415,
 &end
#
#   94 GLN  HG-          94 GLN  HN          4.50    (#    609:10  Unique         2.24, 2.67 A)
 &rst
  ixpk= 609, nxpk= 10, iat=  -1,1407, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1414,1415,
 &end
#
#   94 GLN  HB-          94 GLN  HN          3.50    (#    610:10  Unique         2.81, 3.27 A)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1,1407, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1411,1412,
 &end
#
#   92 ALA  MB           94 GLN  HN          5.50    (#    611:10  Unique         4.99, 5.60 A)
 &rst
  ixpk= 611, nxpk= 10, iat=  -1,1407, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1390,1391,1392,
 &end
#
#   94 GLN  HB+          94 GLN  HN          4.50    (#    612:10  Unique         2.81, 3.27 A)
 &rst
  ixpk= 612, nxpk= 10, iat=  -1,1407, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1411,1412,
 &end
#
#   90 ILE  QG2          94 GLN  HN          5.50    (#    613:10  Unique         4.25, 5.01 A)
 &rst
  ixpk= 613, nxpk= 10, iat=  -1,1407, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1354,1355,1356,
 &end
#
#  128 LYS  HB+         126 ILE  HN          7.00    (#    614:10  Unique         4.67, 5.81 A)
 &rst
  ixpk= 614, nxpk= 10, iat=  -1,1902, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1946,1947,
 &end
#
#   41 ALA  HN           40 PHE  HN          5.50    (#    615:10  Unique         2.25, 2.56 A)
 &rst
  ixpk= 615, nxpk= 10, iat= 608, 588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 PHE  QD           40 PHE  HN          5.50    (#    616:10  Unique         3.17, 4.13 A)
 &rst
  ixpk= 616, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 596, 604,
 &end
#
#   40 PHE  HB-          40 PHE  HN          5.50    (#    618:10  Unique         2.63, 3.25 A)
 &rst
  ixpk= 618, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 592, 593,
 &end
#
#   39 VAL  MG2          40 PHE  HN          5.50    (#    619:10  Unique         2.64, 4.41 A)
 &rst
  ixpk= 619, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 582, 583, 584,
 &end
#
#   55 LEU  HN           54 ALA  HN          4.50    (#    620:10  Unique         2.73, 2.75 A)
 &rst
  ixpk= 620, nxpk= 10, iat= 792, 782, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:621     54 ALA  HN          7.00    (#    621:10  Single Ambig)
 &rst
  ixpk= 621, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 751, 831,
 &end
#
#   50 HIS  HA           54 ALA  HN          7.00    (#    623:10  Unique         3.59, 3.66 A)
 &rst
  ixpk= 623, nxpk= 10, iat= 726, 782, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   53 GLU  HA           54 ALA  HN          4.50    (#    624:10  Unique         3.55, 3.56 A)
 &rst
  ixpk= 624, nxpk= 10, iat= 769, 782, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 ALA  HA           54 ALA  HN          4.50    (#    625:10  Unique         2.81, 2.82 A)
 &rst
  ixpk= 625, nxpk= 10, iat= 784, 782, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:626     54 ALA  HN          5.50    (#    626:10  Single Ambig)
 &rst
  ixpk= 626, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 774, 775, 755,
 &end
#
#   53 GLU  HB+          54 ALA  HN          4.50    (#    627:10  Unique         2.68, 3.38 A)
 &rst
  ixpk= 627, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 771, 772,
 &end
#
#   53 GLU  HB-          54 ALA  HN          4.50    (#    628:10  Unique         2.68, 3.38 A)
 &rst
  ixpk= 628, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 771, 772,
 &end
#
#    0 AMB  10-2:629     54 ALA  HN          5.50    (#    629:10  Single Ambig)
 &rst
  ixpk= 629, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 796, 797,1999,2000,
 &end
#
#    0 AMB  10-2:630     54 ALA  HN          7.00    (#    630:10  Single Ambig)
 &rst
  ixpk= 630, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
 igr1= 745, 746, 747,2002,2003, 850, 851,
 &end
#
#   54 ALA  MB           54 ALA  HN          3.50    (#    631:10  Unique         2.47, 2.89 A)
 &rst
  ixpk= 631, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 786, 787, 788,
 &end
#
#  124 ILE  HG1-         54 ALA  HN          5.50    (#    632:10  Unique         3.60, 5.29 A)
 &rst
  ixpk= 632, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1881,1882,
 &end
#
#    0 AMB  10-2:633     54 ALA  HN          7.00    (#    633:10  Single Ambig)
 &rst
  ixpk= 633, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 757, 758, 759, 761, 762, 763,
 &end
#
#  124 ILE  QD1          54 ALA  HN          4.50    (#    634:10  Unique         3.10, 3.44 A)
 &rst
  ixpk= 634, nxpk= 10, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1884,1885,1886,
 &end
#
#  147 LYS  HA          149 ARG  HN          7.00    (#    636:10  Unique         5.98, 6.67 A)
 &rst
  ixpk= 636, nxpk= 10, iat=2285,2317, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   91 ILE  QG2          94 GLN  HN          5.50    (#    637:10  Unique         5.47, 5.98 A)
 &rst
  ixpk= 637, nxpk= 10, iat=  -1,1407, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1373,1374,1375,
 &end
#
#  124 ILE  HN          125 ASP  HN          5.50    (#    639:10  Unique         2.77, 2.80 A)
 &rst
  ixpk= 639, nxpk= 10, iat=1871,1890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  126 ILE  HN          125 ASP  HN          4.50    (#    640:10  Unique         2.72, 2.74 A)
 &rst
  ixpk= 640, nxpk= 10, iat=1902,1890, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  123 SER  HA          125 ASP  HN          5.50    (#    642:10  Unique         4.22, 4.30 A)
 &rst
  ixpk= 642, nxpk= 10, iat=1862,1890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:643    125 ASP  HN          3.50    (#    643:10  Single Ambig)
 &rst
  ixpk= 643, nxpk= 10, iat=  -1,1890, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1864,1865,1892,
 &end
#
#  123 SER  HB-         125 ASP  HN          4.50    (#    644:10  Unique         2.67, 3.57 A)
 &rst
  ixpk= 644, nxpk= 10, iat=  -1,1890, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1864,1865,
 &end
#
#  124 ILE  HA          125 ASP  HN          5.50    (#    645:10  Unique         3.52, 3.53 A)
 &rst
  ixpk= 645, nxpk= 10, iat=1873,1890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  125 ASP  HB+         125 ASP  HN          4.50    (#    646:10  Unique         2.43, 2.54 A)
 &rst
  ixpk= 646, nxpk= 10, iat=  -1,1890, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1894,1895,
 &end
#
#  125 ASP  HB-         125 ASP  HN          3.50    (#    647:10  Unique         2.43, 2.54 A)
 &rst
  ixpk= 647, nxpk= 10, iat=  -1,1890, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1894,1895,
 &end
#
#    0 AMB  10-2:648    125 ASP  HN          5.50    (#    648:10  Single Ambig)
 &rst
  ixpk= 648, nxpk= 10, iat=  -1,1890, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1906, 728,
 &end
#
#  126 ILE  HG1+        125 ASP  HN          5.50    (#    650:10  Unique         4.09, 5.07 A)
 &rst
  ixpk= 650, nxpk= 10, iat=  -1,1890, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1912,1913,
 &end
#
#    0 AMB  10-2:651    125 ASP  HN          5.50    (#    651:10  Single Ambig)
 &rst
  ixpk= 651, nxpk= 10, iat=  -1,1890, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1875,1881,1882,
 &end
#
#  124 ILE  HG1+        125 ASP  HN          7.00    (#    652:10  Unique         4.00, 4.69 A)
 &rst
  ixpk= 652, nxpk= 10, iat=  -1,1890, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1881,1882,
 &end
#
#  126 ILE  QG2         125 ASP  HN          7.00    (#    653:10  Unique         7.12, 7.26 A)
 &rst
  ixpk= 653, nxpk= 10, iat=  -1,1890, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1908,1909,1910,
 &end
#
#  124 ILE  QG2         125 ASP  HN          3.50    (#    654:10  Unique         2.57, 3.22 A)
 &rst
  ixpk= 654, nxpk= 10, iat=  -1,1890, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1877,1878,1879,
 &end
#
#    0 AMB  10-2:655     91 ILE  HN          5.50    (#    655:10  Single Ambig)
 &rst
  ixpk= 655, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1414,1415,1335,1336,
 &end
#
#   90 ILE  HN           91 ILE  HN          5.50    (#    656:10  Unique         2.62, 2.64 A)
 &rst
  ixpk= 656, nxpk= 10, iat=1348,1367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87 HIS  HA           91 ILE  HN          7.00    (#    657:10  Unique         3.82, 3.98 A)
 &rst
  ixpk= 657, nxpk= 10, iat=1294,1367, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   91 ILE  HB           91 ILE  HN          3.50    (#    658:10  Unique         2.36, 2.41 A)
 &rst
  ixpk= 658, nxpk= 10, iat=1371,1367, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:659     91 ILE  HN          5.50    (#    659:10  Single Ambig)
 &rst
  ixpk= 659, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1390,1391,1392,1313,1314,
 &end
#
#    0 AMB  10-2:660     91 ILE  HN          4.50    (#    660:10  Single Ambig)
 &rst
  ixpk= 660, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 582, 583, 584,  97,  98,  99,
 &end
#
#   89 GLN  HN           91 ILE  HN          7.00    (#    661:10  Unique         4.21, 4.23 A)
 &rst
  ixpk= 661, nxpk= 10, iat=1331,1367, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:662     91 ILE  HN          7.00    (#    662:10  Single Ambig)
 &rst
  ixpk= 662, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1396,1309,
 &end
#
#   90 ILE  HA           91 ILE  HN          5.50    (#    663:10  Unique         3.56, 3.57 A)
 &rst
  ixpk= 663, nxpk= 10, iat=1350,1367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:664     91 ILE  HN          4.50    (#    664:10  Single Ambig)
 &rst
  ixpk= 664, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1369,1311,
 &end
#
#    0 AMB  10-2:665     91 ILE  HN          3.50    (#    665:10  Single Ambig)
 &rst
  ixpk= 665, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1377,1378,1352,
 &end
#
#    0 AMB  10-2:666     91 ILE  HN          4.50    (#    666:10  Single Ambig)
 &rst
  ixpk= 666, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1373,1374,1375,1361,1362,1363,
 &end
#
#   90 ILE  QG2          91 ILE  HN          4.50    (#    667:10  Unique         3.60, 4.39 A)
 &rst
  ixpk= 667, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1354,1355,1356,
 &end
#
#   39 VAL  MG1          91 ILE  HN          5.50    (#    668:10  Unique         3.11, 4.78 A)
 &rst
  ixpk= 668, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 578, 579, 580,
 &end
#
#   91 ILE  QD1          91 ILE  HN          4.50    (#    669:10  Unique         3.42, 4.20 A)
 &rst
  ixpk= 669, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1380,1381,1382,
 &end
#
#    0 AMB  10-2:670     91 ILE  HN          7.00    (#    670:10  Single Ambig)
 &rst
  ixpk= 670, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1333,1400,1401,
 &end
#
#   91 ILE  HG1+         91 ILE  HN          7.00    (#    677:10  Unique         2.16, 2.95 A)
 &rst
  ixpk= 677, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1377,1378,
 &end
#
#  112 SER  HB+         113 HIS  HN          3.00    (#    679:10  Unique         2.19, 3.57 A)
 &rst
  ixpk= 679, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1722,1723,
 &end
#
#  112 SER  HA          113 HIS  HN          2.30    (#    680:10  Unique         2.21, 2.29 A)
 &rst
  ixpk= 680, nxpk= 10, iat=1720,1729, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  113 HIS  HA          113 HIS  HN          2.80    (#    681:10  Unique         2.82, 2.87 A)
 &rst
  ixpk= 681, nxpk= 10, iat=1731,1729, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  113 HIS  HB+         113 HIS  HN          3.70    (#    682:10  Unique         2.49, 3.08 A)
 &rst
  ixpk= 682, nxpk= 10, iat=  -1,1729, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1=1733,1734,
 &end
#
#   58 LYS  HB+          60 ILE  HN          5.50    (#    685:10  Unique         3.54, 4.46 A)
 &rst
  ixpk= 685, nxpk= 10, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 850, 851,
 &end
#
#   61 ALA  HN           60 ILE  HN          5.50    (#    686:10  Unique         1.78, 1.86 A)
 &rst
  ixpk= 686, nxpk= 10, iat= 904, 885, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 LYS  HN           60 ILE  HN          5.50    (#    687:10  Unique         4.19, 4.30 A)
 &rst
  ixpk= 687, nxpk= 10, iat= 846, 885, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:688     60 ILE  HN          3.50    (#    688:10  Single Ambig)
 &rst
  ixpk= 688, nxpk= 10, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 813, 887,
 &end
#
#   59 HIS  HA           60 ILE  HN          3.50    (#    689:10  Unique         2.51, 2.56 A)
 &rst
  ixpk= 689, nxpk= 10, iat= 870, 885, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:690     60 ILE  HN          5.50    (#    690:10  Single Ambig)
 &rst
  ixpk= 690, nxpk= 10, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 872, 873, 815, 816,
 &end
#
#   59 HIS  HB-          60 ILE  HN          5.50    (#    691:10  Unique         4.43, 4.49 A)
 &rst
  ixpk= 691, nxpk= 10, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 872, 873,
 &end
#
#   55 LEU  HB+          60 ILE  HN          5.50    (#    692:10  Unique         3.76, 4.49 A)
 &rst
  ixpk= 692, nxpk= 10, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 796, 797,
 &end
#
#   58 LYS  HB-          60 ILE  HN          5.50    (#    693:10  Unique         3.54, 4.46 A)
 &rst
  ixpk= 693, nxpk= 10, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 850, 851,
 &end
#
#   60 ILE  HB           60 ILE  HN          3.50    (#    694:10  Unique         2.48, 2.60 A)
 &rst
  ixpk= 694, nxpk= 10, iat= 889, 885, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ILE  HG1+         60 ILE  HN          5.50    (#    695:10  Unique         2.86, 3.51 A)
 &rst
  ixpk= 695, nxpk= 10, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 895, 896,
 &end
#
#   60 ILE  QD1          60 ILE  HN          4.50    (#    696:10  Unique         4.16, 4.91 A)
 &rst
  ixpk= 696, nxpk= 10, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 898, 899, 900,
 &end
#
#   60 ILE  QG2          60 ILE  HN          4.50    (#    697:10  Unique         4.27, 4.68 A)
 &rst
  ixpk= 697, nxpk= 10, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 891, 892, 893,
 &end
#
#  126 ILE  HN          128 LYS  HN          7.00    (#    698:10  Unique         3.77, 3.89 A)
 &rst
  ixpk= 698, nxpk= 10, iat=1902,1942, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   46 LYS  HA           46 LYS  HN          4.50    (#    700:10  Unique         2.87, 2.92 A)
 &rst
  ixpk= 700, nxpk= 10, iat= 666, 664, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 LYS  HB+          46 LYS  HN          4.50    (#    704:10  Unique         2.66, 3.60 A)
 &rst
  ixpk= 704, nxpk= 10, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 668, 669,
 &end
#
#    0 AMB  10-2:705     46 LYS  HN          3.50    (#    705:10  Single Ambig)
 &rst
  ixpk= 705, nxpk= 10, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 668, 669, 674, 675,
 &end
#
#   46 LYS  HG+          46 LYS  HN          4.50    (#    706:10  Unique         2.08, 3.13 A)
 &rst
  ixpk= 706, nxpk= 10, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 671, 672,
 &end
#
#   11 THR  MG2          46 LYS  HN          5.50    (#    707:10  Unique         2.42, 3.94 A)
 &rst
  ixpk= 707, nxpk= 10, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 159, 160, 161,
 &end
#
#   44 ASN  HA           46 LYS  HN          7.00    (#    708:10  Unique         4.17, 5.87 A)
 &rst
  ixpk= 708, nxpk= 10, iat= 645, 664, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   28 GLU  HN           27 ARG  HN          3.50    (#    710:10  Unique         2.57, 2.65 A)
 &rst
  ixpk= 710, nxpk= 10, iat= 419, 395, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:711     27 ARG  HN          5.50    (#    711:10  Single Ambig)
 &rst
  ixpk= 711, nxpk= 10, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 342, 421,
 &end
#
#    0 AMB  10-2:712     27 ARG  HN          3.50    (#    712:10  Single Ambig)
 &rst
  ixpk= 712, nxpk= 10, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 397, 382,
 &end
#
#    0 AMB  10-2:713     27 ARG  HN          5.50    (#    713:10  Single Ambig)
 &rst
  ixpk= 713, nxpk= 10, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 353, 372,
 &end
#
#   26 GLU  HB+          27 ARG  HN          3.50    (#    715:10  Unique         2.65, 3.34 A)
 &rst
  ixpk= 715, nxpk= 10, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 384, 385,
 &end
#
#   27 ARG  HB+          27 ARG  HN          3.50    (#    716:10  Unique         2.38, 3.10 A)
 &rst
  ixpk= 716, nxpk= 10, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 399, 400,
 &end
#
#   27 ARG  HG+          27 ARG  HN          3.50    (#    717:10  Unique         2.35, 3.29 A)
 &rst
  ixpk= 717, nxpk= 10, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 402, 403,
 &end
#
#    0 AMB  10-2:718     27 ARG  HN          5.50    (#    718:10  Single Ambig)
 &rst
  ixpk= 718, nxpk= 10, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 445, 446,2197,2198,2199,
 &end
#
#    0 AMB  10-2:719     27 ARG  HN          5.50    (#    719:10  Single Ambig)
 &rst
  ixpk= 719, nxpk= 10, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 357, 358, 359, 364, 365, 366,
 &end
#
#   25 ALA  MB           27 ARG  HN          5.50    (#    720:10  Unique         5.13, 5.63 A)
 &rst
  ixpk= 720, nxpk= 10, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 374, 375, 376,
 &end
#
#   72 GLU  HN           73 LEU  HN          4.50    (#    721:10  Unique         2.67, 2.69 A)
 &rst
  ixpk= 721, nxpk= 10, iat=1064,1079, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 GLU  HN           73 LEU  HN          7.00    (#    722:10  Unique         3.98, 4.04 A)
 &rst
  ixpk= 722, nxpk= 10, iat=1115,1079, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   70 THR  HN           73 LEU  HN          5.50    (#    723:10  Unique         3.70, 3.73 A)
 &rst
  ixpk= 723, nxpk= 10, iat=1035,1079, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 THR  HB           73 LEU  HN          5.50    (#    726:10  Unique         4.23, 4.30 A)
 &rst
  ixpk= 726, nxpk= 10, iat=1039,1079, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 GLU  HA           73 LEU  HN          5.50    (#    727:10  Unique         3.54, 3.55 A)
 &rst
  ixpk= 727, nxpk= 10, iat=1066,1079, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 LEU  HA           73 LEU  HN          4.50    (#    728:10  Unique         2.87, 2.88 A)
 &rst
  ixpk= 728, nxpk= 10, iat=1081,1079, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   72 GLU  HG+          73 LEU  HN          5.50    (#    729:10  Unique         2.47, 2.64 A)
 &rst
  ixpk= 729, nxpk= 10, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1071,1072,
 &end
#
#    0 AMB  10-2:730     73 LEU  HN          4.50    (#    730:10  Single Ambig)
 &rst
  ixpk= 730, nxpk= 10, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1068,1069,1119,1120,
 &end
#
#   72 GLU  HB-          73 LEU  HN          5.50    (#    731:10  Unique         3.84, 3.98 A)
 &rst
  ixpk= 731, nxpk= 10, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1068,1069,
 &end
#
#   73 LEU  HB+          73 LEU  HN          3.50    (#    732:10  Unique         2.42, 2.53 A)
 &rst
  ixpk= 732, nxpk= 10, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1083,1084,
 &end
#
#   70 THR  MG2          73 LEU  HN          5.50    (#    733:10  Unique         6.05, 6.33 A)
 &rst
  ixpk= 733, nxpk= 10, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1041,1042,1043,
 &end
#
#   73 LEU  HB-          73 LEU  HN          4.50    (#    734:10  Unique         2.42, 2.53 A)
 &rst
  ixpk= 734, nxpk= 10, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1083,1084,
 &end
#
#   73 LEU  MD2          73 LEU  HN          5.50    (#    735:10  Unique         4.79, 5.28 A)
 &rst
  ixpk= 735, nxpk= 10, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1092,1093,1094,
 &end
#
#   73 LEU  MD1          73 LEU  HN          5.50    (#    736:10  Unique         4.68, 5.22 A)
 &rst
  ixpk= 736, nxpk= 10, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1088,1089,1090,
 &end
#
#   69 LEU  MD1          73 LEU  HN          5.50    (#    737:10  Unique         4.45, 5.35 A)
 &rst
  ixpk= 737, nxpk= 10, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1025,1026,1027,
 &end
#
#    0 AMB  10-2:738    128 LYS  HN          4.50    (#    738:10  Single Ambig)
 &rst
  ixpk= 738, nxpk= 10, iat=  -1,1942, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1921,1964,
 &end
#
#  125 ASP  HA          128 LYS  HN          5.50    (#    739:10  Unique         3.22, 3.31 A)
 &rst
  ixpk= 739, nxpk= 10, iat=1892,1942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  128 LYS  HA          128 LYS  HN          3.50    (#    740:10  Unique         2.85, 2.87 A)
 &rst
  ixpk= 740, nxpk= 10, iat=1944,1942, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  127 TYR  HB+         128 LYS  HN          5.50    (#    741:10  Unique         2.87, 3.30 A)
 &rst
  ixpk= 741, nxpk= 10, iat=  -1,1942, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1925,1926,
 &end
#
#  127 TYR  HB-         128 LYS  HN          5.50    (#    743:10  Unique         2.87, 3.30 A)
 &rst
  ixpk= 743, nxpk= 10, iat=  -1,1942, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1925,1926,
 &end
#
#    0 AMB  10-2:744    128 LYS  HN          5.50    (#    744:10  Single Ambig)
 &rst
  ixpk= 744, nxpk= 10, iat=  -1,1942, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1968,1969, 238, 239, 240,
 &end
#
#  128 LYS  HB+         128 LYS  HN          3.50    (#    745:10  Unique         2.13, 2.71 A)
 &rst
  ixpk= 745, nxpk= 10, iat=  -1,1942, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1946,1947,
 &end
#
#    0 AMB  10-2:747    128 LYS  HN          5.50    (#    747:10  Single Ambig)
 &rst
  ixpk= 747, nxpk= 10, iat=  -1,1942, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 786, 787, 788,1912,1913,
 &end
#
#  130 THR  MG2         128 LYS  HN          7.00    (#    748:10  Unique         5.04, 7.07 A)
 &rst
  ixpk= 748, nxpk= 10, iat=  -1,1942, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1987,1988,1989,
 &end
#
#    0 AMB  10-2:749    128 LYS  HN          5.50    (#    749:10  Single Ambig)
 &rst
  ixpk= 749, nxpk= 10, iat=  -1,1942, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1881,1882,1875,
 &end
#
#   18 GLU  HN           17 ALA  HN          4.50    (#    750:10  Unique         2.61, 2.69 A)
 &rst
  ixpk= 750, nxpk= 10, iat= 254, 244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 MET  HN           17 ALA  HN          4.50    (#    751:10  Unique         2.45, 2.52 A)
 &rst
  ixpk= 751, nxpk= 10, iat= 227, 244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 ALA  HA           17 ALA  HN          5.50    (#    752:10  Unique         2.83, 2.84 A)
 &rst
  ixpk= 752, nxpk= 10, iat= 246, 244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:753     17 ALA  HN          4.50    (#    753:10  Single Ambig)
 &rst
  ixpk= 753, nxpk= 10, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 231, 232, 185, 186,
 &end
#
#    0 AMB  10-2:754     17 ALA  HN          4.50    (#    754:10  Single Ambig)
 &rst
  ixpk= 754, nxpk= 10, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=2055,2056,2057, 220, 221,
 &end
#
#   17 ALA  MB           17 ALA  HN          3.50    (#    755:10  Unique         2.48, 2.90 A)
 &rst
  ixpk= 755, nxpk= 10, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 248, 249, 250,
 &end
#
#   29 GLY  HN           30 LEU  HN          3.50    (#    756:10  Unique         2.30, 2.38 A)
 &rst
  ixpk= 756, nxpk= 10, iat= 434, 441, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:757      0 AMB  10-1:757    4.50    (#    757:10  Double Ambig)
 &rst
  ixpk= 757, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 443, 966,
 igr2= 441, 664,
 &end
#
#    0 AMB  10-2:758     30 LEU  HN          5.50    (#    758:10  Single Ambig)
 &rst
  ixpk= 758, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 382, 397,
 &end
#
#   29 GLY  HA+          30 LEU  HN          3.50    (#    759:10  Unique         3.57, 7.61 A)
 &rst
  ixpk= 759, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 436, 437,
 &end
#
#   29 GLY  HA-          30 LEU  HN          4.50    (#    760:10  Unique         3.57, 7.61 A)
 &rst
  ixpk= 760, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 436, 437,
 &end
#
#   25 ALA  HA           30 LEU  HN          5.50    (#    761:10  Unique         2.93, 3.08 A)
 &rst
  ixpk= 761, nxpk= 10, iat= 372, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:762     30 LEU  HN          3.50    (#    762:10  Single Ambig)
 &rst
  ixpk= 762, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 445, 446, 448,
 &end
#
#   30 LEU  HB-          30 LEU  HN          4.50    (#    763:10  Unique         2.14, 2.74 A)
 &rst
  ixpk= 763, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 445, 446,
 &end
#
#    0 AMB  10-2:764      0 AMB  10-1:764    4.50    (#    764:10  Double Ambig)
 &rst
  ixpk= 764, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 450, 451, 452, 974, 975, 976, 484, 485, 486,
 igr2= 441, 664,
 &end
#
#   32 VAL  MG1          30 LEU  HN          5.50    (#    765:10  Unique         5.71, 6.87 A)
 &rst
  ixpk= 765, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 480, 481, 482,
 &end
#
#   46 LYS  HN           47 ALA  HN          5.50    (#    767:10  Unique         4.24, 4.36 A)
 &rst
  ixpk= 767, nxpk= 10, iat= 664, 686, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:768     47 ALA  HN          7.00    (#    768:10  Single Ambig)
 &rst
  ixpk= 768, nxpk= 10, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 980, 933,
 &end
#
#   48 THR  HN           47 ALA  HN          7.00    (#    769:10  Unique         4.63, 4.68 A)
 &rst
  ixpk= 769, nxpk= 10, iat= 696, 686, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   64 HIS  HD2          47 ALA  HN          4.50    (#    770:10  Unique         3.66, 4.27 A)
 &rst
  ixpk= 770, nxpk= 10, iat= 960, 686, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 LYS  HA           47 ALA  HN          3.50    (#    771:10  Unique         2.04, 2.29 A)
 &rst
  ixpk= 771, nxpk= 10, iat= 666, 686, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:773     47 ALA  HN          5.50    (#    773:10  Single Ambig)
 &rst
  ixpk= 773, nxpk= 10, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 966, 698,
 &end
#
#   64 HIS  HB+          47 ALA  HN          7.00    (#    774:10  Unique         3.17, 4.22 A)
 &rst
  ixpk= 774, nxpk= 10, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 951, 952,
 &end
#
#   64 HIS  HB-          47 ALA  HN          5.50    (#    775:10  Unique         3.17, 4.22 A)
 &rst
  ixpk= 775, nxpk= 10, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 951, 952,
 &end
#
#   46 LYS  HB+          47 ALA  HN          4.50    (#    776:10  Unique         2.18, 3.20 A)
 &rst
  ixpk= 776, nxpk= 10, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 668, 669,
 &end
#
#   46 LYS  HB-          47 ALA  HN          4.50    (#    777:10  Unique         2.18, 3.20 A)
 &rst
  ixpk= 777, nxpk= 10, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 668, 669,
 &end
#
#   47 ALA  MB           47 ALA  HN          3.50    (#    778:10  Unique         2.26, 2.96 A)
 &rst
  ixpk= 778, nxpk= 10, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 690, 691, 692,
 &end
#
#   11 THR  MG2          47 ALA  HN          5.50    (#    779:10  Unique         2.72, 4.44 A)
 &rst
  ixpk= 779, nxpk= 10, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 159, 160, 161,
 &end
#
#   46 LYS  HG+          47 ALA  HN          5.50    (#    780:10  Unique         2.97, 4.19 A)
 &rst
  ixpk= 780, nxpk= 10, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 671, 672,
 &end
#
#  133 GLU  HN          135 GLU  HN          7.00    (#    782:10  Unique         4.03, 4.07 A)
 &rst
  ixpk= 782, nxpk= 10, iat=2031,2065, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  134 LEU  HA          135 GLU  HN          5.50    (#    783:10  Unique         3.57, 3.59 A)
 &rst
  ixpk= 783, nxpk= 10, iat=2048,2065, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  134 LEU  HN          135 GLU  HN          5.50    (#    784:10  Unique         2.71, 2.75 A)
 &rst
  ixpk= 784, nxpk= 10, iat=2046,2065, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  136 GLU  HN          135 GLU  HN          5.50    (#    785:10  Unique         2.66, 2.70 A)
 &rst
  ixpk= 785, nxpk= 10, iat=2080,2065, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  132 ASP  HA          135 GLU  HN          5.50    (#    786:10  Unique         3.51, 3.55 A)
 &rst
  ixpk= 786, nxpk= 10, iat=2021,2065, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:787    135 GLU  HN          5.50    (#    787:10  Single Ambig)
 &rst
  ixpk= 787, nxpk= 10, iat=  -1,2065, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2033,2082,
 &end
#
#  135 GLU  HA          135 GLU  HN          4.50    (#    788:10  Unique         2.82, 2.84 A)
 &rst
  ixpk= 788, nxpk= 10, iat=2067,2065, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:789    135 GLU  HN          3.50    (#    789:10  Single Ambig)
 &rst
  ixpk= 789, nxpk= 10, iat=  -1,2065, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2069,2070,2050,2051,
 &end
#
#  134 LEU  HG          135 GLU  HN          5.50    (#    790:10  Unique         4.04, 4.15 A)
 &rst
  ixpk= 790, nxpk= 10, iat=2053,2065, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  134 LEU  HB-         135 GLU  HN          4.50    (#    791:10  Unique         2.57, 3.25 A)
 &rst
  ixpk= 791, nxpk= 10, iat=  -1,2065, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2050,2051,
 &end
#
#   20 LEU  QD1         135 GLU  HN          3.50    (#    792:10  Unique         3.04, 3.57 A)
 &rst
  ixpk= 792, nxpk= 10, iat=  -1,2065, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 288, 289, 290,
 &end
#
#    0 AMB  10-2:793    135 GLU  HN          7.00    (#    793:10  Single Ambig)
 &rst
  ixpk= 793, nxpk= 10, iat=  -1,2065, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1= 283, 284,1987,1988,1989,
 &end
#
#   15 PRO  HB+          37 ALA  HN          7.00    (#    797:10  Unique         6.46, 7.57 A)
 &rst
  ixpk= 797, nxpk= 10, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 220, 221,
 &end
#
#    0 AMB  10-2:798      0 AMB  10-1:798    5.50    (#    798:10  Double Ambig)
 &rst
  ixpk= 798, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1981,  71,
 igr2=1942, 555,
 &end
#
#    7 CYS  HN           37 ALA  HN          5.50    (#    799:10  Unique         3.89, 4.41 A)
 &rst
  ixpk= 799, nxpk= 10, iat= 107, 555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 SER  HA           37 ALA  HN          3.50    (#    800:10  Unique         2.16, 2.24 A)
 &rst
  ixpk= 800, nxpk= 10, iat= 546, 555, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 VAL  HA           37 ALA  HN          5.50    (#    801:10  Unique         2.58, 2.95 A)
 &rst
  ixpk= 801, nxpk= 10, iat=  93, 555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 ALA  HA           37 ALA  HN          4.50    (#    802:10  Unique         2.91, 2.93 A)
 &rst
  ixpk= 802, nxpk= 10, iat= 557, 555, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 SER  HB+          37 ALA  HN          4.50    (#    803:10  Unique         2.66, 3.52 A)
 &rst
  ixpk= 803, nxpk= 10, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 548, 549,
 &end
#
#   36 SER  HB-          37 ALA  HN          4.50    (#    804:10  Unique         2.66, 3.52 A)
 &rst
  ixpk= 804, nxpk= 10, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 548, 549,
 &end
#
#    5 PHE  HB+          37 ALA  HN          5.50    (#    805:10  Unique         4.09, 4.70 A)
 &rst
  ixpk= 805, nxpk= 10, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  75,  76,
 &end
#
#   37 ALA  MB           37 ALA  HN          4.50    (#    806:10  Unique         2.75, 3.39 A)
 &rst
  ixpk= 806, nxpk= 10, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 559, 560, 561,
 &end
#
#    0 AMB  10-2:807     37 ALA  HN          5.50    (#    807:10  Single Ambig)
 &rst
  ixpk= 807, nxpk= 10, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  97,  98,  99,1188,1189,1190,
 &end
#
#    4 ILE  QG2          37 ALA  HN          5.50    (#    808:10  Unique         2.88, 3.70 A)
 &rst
  ixpk= 808, nxpk= 10, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  58,  59,  60,
 &end
#
#    0 AMB  10-2:809     92 ALA  HN          5.50    (#    809:10  Single Ambig)
 &rst
  ixpk= 809, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1414,1415,1335,1336,
 &end
#
#   93 SER  HN           92 ALA  HN          4.50    (#    810:10  Unique         2.66, 2.71 A)
 &rst
  ixpk= 810, nxpk= 10, iat=1396,1386, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   93 SER  HA           92 ALA  HN          7.00    (#    811:10  Unique         5.29, 5.32 A)
 &rst
  ixpk= 811, nxpk= 10, iat=1398,1386, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:812     92 ALA  HN          5.50    (#    812:10  Single Ambig)
 &rst
  ixpk= 812, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1369,1311,
 &end
#
#    0 AMB  10-2:813     92 ALA  HN          5.50    (#    813:10  Single Ambig)
 &rst
  ixpk= 813, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1500,1501,1558,
 &end
#
#    0 AMB  10-2:814      0 AMB  10-1:814    3.50    (#    814:10  Double Ambig)
 &rst
  ixpk= 814, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1371,1999,2000,
 igr2=1386,2019,
 &end
#
#   92 ALA  MB           92 ALA  HN          3.50    (#    815:10  Unique         2.34, 2.87 A)
 &rst
  ixpk= 815, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1390,1391,1392,
 &end
#
#    0 AMB  10-2:816      0 AMB  10-1:816    7.00    (#    816:10  Double Ambig)
 &rst
  ixpk= 816, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.87, r4=11.37,
 igr1=1377,1378,1987,1988,1989,1358,1359,
 igr2=1386,2019,
 &end
#
#    0 AMB  10-2:817      0 AMB  10-1:817    4.50    (#    817:10  Double Ambig)
 &rst
  ixpk= 817, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1373,1374,1375,2050,2051,
 igr2=1386,2019,
 &end
#
#  102 VAL  MG2          92 ALA  HN          4.50    (#    818:10  Unique         3.98, 5.34 A)
 &rst
  ixpk= 818, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1564,1565,1566,
 &end
#
#    5 PHE  HA            6 VAL  HN          3.50    (#    819:10  Unique         2.26, 2.28 A)
 &rst
  ixpk= 819, nxpk= 10, iat=  73,  91, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   82 ALA  HA            6 VAL  HN          5.50    (#    820:10  Unique         2.85, 3.02 A)
 &rst
  ixpk= 820, nxpk= 10, iat=1219,  91, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:821    132 ASP  HN          5.50    (#    821:10  Single Ambig)
 &rst
  ixpk= 821, nxpk= 10, iat=  -1,2019, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1968,1969, 238, 239, 240,
 &end
#
#    0 AMB  10-2:822      6 VAL  HN          5.50    (#    822:10  Single Ambig)
 &rst
  ixpk= 822, nxpk= 10, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1238,1239,1240,1234,1235,
 &end
#
#  131 ARG  HB-         132 ASP  HN          4.50    (#    823:10  Unique         2.88, 4.05 A)
 &rst
  ixpk= 823, nxpk= 10, iat=  -1,2019, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1999,2000,
 &end
#
#    6 VAL  HB            6 VAL  HN          4.50    (#    824:10  Unique         3.34, 3.45 A)
 &rst
  ixpk= 824, nxpk= 10, iat=  95,  91, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 VAL  MG1           6 VAL  HN          4.50    (#    825:10  Unique         2.41, 3.19 A)
 &rst
  ixpk= 825, nxpk= 10, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  97,  98,  99,
 &end
#
#  130 THR  HA          132 ASP  HN          5.50    (#    826:10  Unique         4.07, 4.29 A)
 &rst
  ixpk= 826, nxpk= 10, iat=1983,2019, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 VAL  MG2           6 VAL  HN          5.50    (#    827:10  Unique         4.16, 4.74 A)
 &rst
  ixpk= 827, nxpk= 10, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 101, 102, 103,
 &end
#
#    0 AMB  10-2:828    132 ASP  HN          5.50    (#    828:10  Single Ambig)
 &rst
  ixpk= 828, nxpk= 10, iat=  -1,2019, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 288, 289, 290,1790,1791,1792,
 &end
#
#  141 LEU  HN          144 GLN  HN          7.00    (#    829:10  Unique         4.60, 4.71 A)
 &rst
  ixpk= 829, nxpk= 10, iat=2174,2225, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  143 LYS  HN          144 GLN  HN          3.50    (#    830:10  Unique         2.61, 2.72 A)
 &rst
  ixpk= 830, nxpk= 10, iat=2203,2225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  141 LEU  HA          144 GLN  HN          5.50    (#    831:10  Unique         3.25, 3.44 A)
 &rst
  ixpk= 831, nxpk= 10, iat=2176,2225, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  144 GLN  HA          144 GLN  HN          3.50    (#    832:10  Unique         2.82, 2.84 A)
 &rst
  ixpk= 832, nxpk= 10, iat=2227,2225, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:833      0 AMB  10-1:833    3.50    (#    833:10  Double Ambig)
 &rst
  ixpk= 833, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=2232,2233, 231, 232,
 igr2=2225, 244,
 &end
#
#    0 AMB  10-2:834    144 GLN  HN          3.50    (#    834:10  Single Ambig)
 &rst
  ixpk= 834, nxpk= 10, iat=  -1,2225, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2232,2233,2229,2230,
 &end
#
#  144 GLN  HB-         144 GLN  HN          3.50    (#    835:10  Unique         2.42, 3.08 A)
 &rst
  ixpk= 835, nxpk= 10, iat=  -1,2225, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2229,2230,
 &end
#
#    0 AMB  10-2:836      0 AMB  10-1:836    4.50    (#    836:10  Double Ambig)
 &rst
  ixpk= 836, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=2183,2184,2185,2251,2252,2253, 450, 451, 452, 801,
       802, 803,2123,2124,2125,
 igr2=2225, 244,
 &end
#
#    0 AMB  10-2:837      0 AMB  10-1:837    3.50    (#    837:10  Double Ambig)
 &rst
  ixpk= 837, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1066,2205,
 igr2=1115,2225,
 &end
#
#    0 AMB  10-2:838    144 GLN  HN          4.50    (#    838:10  Single Ambig)
 &rst
  ixpk= 838, nxpk= 10, iat=  -1,2225, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2210,2211,2268,2269,
 &end
#
#    0 AMB  10-2:839      0 AMB  10-1:839    3.50    (#    839:10  Double Ambig)
 &rst
  ixpk= 839, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1105,1106,2210,2211,
 igr2=1115,2225,
 &end
#
#    0 AMB  10-2:840     30 LEU  HN          5.50    (#    840:10  Single Ambig)
 &rst
  ixpk= 840, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 423, 424, 426, 427,
 &end
#
#  147 LYS  HN          148 ASP  HN          5.50    (#    841:10  Unique         1.99, 2.62 A)
 &rst
  ixpk= 841, nxpk= 10, iat=2283,2305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  148 ASP  HA          148 ASP  HN          4.50    (#    843:10  Unique         2.81, 2.93 A)
 &rst
  ixpk= 843, nxpk= 10, iat=2307,2305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  149 ARG  HA          148 ASP  HN          7.00    (#    844:10  Unique         4.05, 5.06 A)
 &rst
  ixpk= 844, nxpk= 10, iat=2319,2305, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  147 LYS  HA          148 ASP  HN          4.50    (#    845:10  Unique         3.21, 3.57 A)
 &rst
  ixpk= 845, nxpk= 10, iat=2285,2305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  148 ASP  HB+         148 ASP  HN          5.50    (#    846:10  Unique         2.36, 3.05 A)
 &rst
  ixpk= 846, nxpk= 10, iat=  -1,2305, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2309,2310,
 &end
#
#  148 ASP  HB-         148 ASP  HN          4.50    (#    847:10  Unique         2.36, 3.05 A)
 &rst
  ixpk= 847, nxpk= 10, iat=  -1,2305, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2309,2310,
 &end
#
#    0 AMB  10-2:848    148 ASP  HN          4.50    (#    848:10  Single Ambig)
 &rst
  ixpk= 848, nxpk= 10, iat=  -1,2305, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2287,2288,2345,2346,
 &end
#
#    0 AMB  10-2:849    148 ASP  HN          7.00    (#    849:10  Single Ambig)
 &rst
  ixpk= 849, nxpk= 10, iat=  -1,2305, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2293,2294,2324,2325,
 &end
#
#  145 LEU  HB-         148 ASP  HN          5.50    (#    850:10  Unique         4.85, 5.41 A)
 &rst
  ixpk= 850, nxpk= 10, iat=  -1,2305, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2246,2247,
 &end
#
#    0 AMB  10-2:851    148 ASP  HN          5.50    (#    851:10  Single Ambig)
 &rst
  ixpk= 851, nxpk= 10, iat=  -1,2305, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2263,2227,
 &end
#
#    0 AMB  10-2:852    148 ASP  HN          5.50    (#    852:10  Single Ambig)
 &rst
  ixpk= 852, nxpk= 10, iat=  -1,2305, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2255,2256,2257, 450, 451, 452,
 &end
#
#  130 THR  HN          129 GLN  HN          4.50    (#    854:10  Unique         2.57, 2.66 A)
 &rst
  ixpk= 854, nxpk= 10, iat=1981,1964, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  125 ASP  HB-         129 GLN  HN          7.00    (#    855:10  Unique         5.51, 5.90 A)
 &rst
  ixpk= 855, nxpk= 10, iat=  -1,1964, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1894,1895,
 &end
#
#  128 LYS  HB+         129 GLN  HN          4.50    (#    856:10  Unique         2.85, 3.81 A)
 &rst
  ixpk= 856, nxpk= 10, iat=  -1,1964, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1946,1947,
 &end
#
#  128 LYS  HN          129 GLN  HN          4.50    (#    857:10  Unique         2.64, 2.71 A)
 &rst
  ixpk= 857, nxpk= 10, iat=1942,1964, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  129 GLN  HA          129 GLN  HN          3.50    (#    859:10  Unique         2.85, 2.86 A)
 &rst
  ixpk= 859, nxpk= 10, iat=1966,1964, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  129 GLN  HB-         129 GLN  HN          3.50    (#    860:10  Unique         2.37, 3.04 A)
 &rst
  ixpk= 860, nxpk= 10, iat=  -1,1964, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1968,1969,
 &end
#
#  130 THR  MG2         129 GLN  HN          7.00    (#    863:10  Unique         5.01, 6.76 A)
 &rst
  ixpk= 863, nxpk= 10, iat=  -1,1964, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1987,1988,1989,
 &end
#
#    0 AMB  10-2:865      0 AMB  10-1:865    3.50    (#    865:10  Double Ambig)
 &rst
  ixpk= 865, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2305, 254,
 igr2=2283, 269,
 &end
#
#   21 PHE  HN           19 ALA  HN          7.00    (#    866:10  Unique         4.06, 4.10 A)
 &rst
  ixpk= 866, nxpk= 10, iat= 298, 269, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   20 LEU  HN           19 ALA  HN          5.50    (#    867:10  Unique         2.58, 2.63 A)
 &rst
  ixpk= 867, nxpk= 10, iat= 279, 269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:868     19 ALA  HN          7.00    (#    868:10  Single Ambig)
 &rst
  ixpk= 868, nxpk= 10, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 227,  79,  87,
 &end
#
#   16 MET  HA           19 ALA  HN          5.50    (#    869:10  Unique         3.43, 3.51 A)
 &rst
  ixpk= 869, nxpk= 10, iat= 229, 269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 GLU  HA           19 ALA  HN          5.50    (#    870:10  Unique         3.57, 3.58 A)
 &rst
  ixpk= 870, nxpk= 10, iat= 256, 269, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 GLU  HG-          19 ALA  HN          4.50    (#    871:10  Unique         2.89, 3.82 A)
 &rst
  ixpk= 871, nxpk= 10, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#   19 ALA  MB           19 ALA  HN          3.50    (#    872:10  Unique         2.45, 2.86 A)
 &rst
  ixpk= 872, nxpk= 10, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 273, 274, 275,
 &end
#
#    0 AMB  10-2:873     19 ALA  HN          5.50    (#    873:10  Single Ambig)
 &rst
  ixpk= 873, nxpk= 10, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 927, 928, 929,2127,2128,2129,
 &end
#
#    0 AMB  10-2:875      0 AMB  10-1:875    5.50    (#    875:10  Double Ambig)
 &rst
  ixpk= 875, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1333,1400,1401,1985,
 igr2=1386,2019,
 &end
#
#   92 ALA  HA           92 ALA  HN          3.50    (#    876:10  Unique         2.82, 2.83 A)
 &rst
  ixpk= 876, nxpk= 10, iat=1388,1386, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 PHE  QD            6 VAL  HN          5.50    (#    877:10  Unique         4.00, 5.11 A)
 &rst
  ixpk= 877, nxpk= 10, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  79,  87,
 &end
#
#    0 AMB  10-2:878      6 VAL  HN          5.50    (#    878:10  Single Ambig)
 &rst
  ixpk= 878, nxpk= 10, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  58,  59,  60, 248, 249, 250,
 &end
#
#    0 AMB  10-2:879    130 THR  HN          7.00    (#    879:10  Single Ambig)
 &rst
  ixpk= 879, nxpk= 10, iat=  -1,1981, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1785,1786,2002,2003,1949,1950,
 &end
#
#   76 SER  HN           75 GLU  HN          3.50    (#    880:10  Unique         2.54, 2.61 A)
 &rst
  ixpk= 880, nxpk= 10, iat=1130,1115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 ALA  HN           75 GLU  HN          5.50    (#    881:10  Unique         4.00, 4.12 A)
 &rst
  ixpk= 881, nxpk= 10, iat=1141,1115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:883     75 GLU  HN          5.50    (#    883:10  Single Ambig)
 &rst
  ixpk= 883, nxpk= 10, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1100,1134,1135,
 &end
#
#   75 GLU  HB+          75 GLU  HN          3.50    (#    884:10  Unique         2.28, 2.95 A)
 &rst
  ixpk= 884, nxpk= 10, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1119,1120,
 &end
#
#   75 GLU  HB-          75 GLU  HN          3.50    (#    885:10  Unique         2.28, 2.95 A)
 &rst
  ixpk= 885, nxpk= 10, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1119,1120,
 &end
#
#   74 MET  HB-          75 GLU  HN          3.50    (#    886:10  Unique         2.93, 3.74 A)
 &rst
  ixpk= 886, nxpk= 10, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1102,1103,
 &end
#
#   74 MET  HB+          75 GLU  HN          4.50    (#    887:10  Unique         2.93, 3.74 A)
 &rst
  ixpk= 887, nxpk= 10, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1102,1103,
 &end
#
#  125 ASP  HA          129 GLN  HN          5.50    (#    889:10  Unique         3.94, 4.06 A)
 &rst
  ixpk= 889, nxpk= 10, iat=1892,1964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  128 LYS  HA          129 GLN  HN          5.50    (#    890:10  Unique         3.53, 3.56 A)
 &rst
  ixpk= 890, nxpk= 10, iat=1944,1964, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  129 GLN  HG+         129 GLN  HN          4.50    (#    891:10  Unique         2.43, 3.14 A)
 &rst
  ixpk= 891, nxpk= 10, iat=  -1,1964, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1971,1972,
 &end
#
#  129 GLN  HG-         129 GLN  HN          5.50    (#    892:10  Unique         2.43, 3.14 A)
 &rst
  ixpk= 892, nxpk= 10, iat=  -1,1964, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1971,1972,
 &end
#
#  129 GLN  HB+         129 GLN  HN          3.50    (#    893:10  Unique         2.37, 3.04 A)
 &rst
  ixpk= 893, nxpk= 10, iat=  -1,1964, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1968,1969,
 &end
#
#    0 AMB  10-2:894    129 GLN  HN          7.00    (#    894:10  Single Ambig)
 &rst
  ixpk= 894, nxpk= 10, iat=  -1,1964, r1= 1.30, r2= 1.80, r3=10.10, r4=10.60,
 igr1=1819,1820,1912,1913,1785,1786, 786, 787, 788,
 &end
#
#    0 AMB  10-2:895    129 GLN  HN          7.00    (#    895:10  Single Ambig)
 &rst
  ixpk= 895, nxpk= 10, iat=  -1,1964, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1794,1795,1796,1884,1885,1886,
 &end
#
#    0 AMB  10-2:896    129 GLN  HN          5.50    (#    896:10  Single Ambig)
 &rst
  ixpk= 896, nxpk= 10, iat=  -1,1964, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1995,2019,
 &end
#
#  127 TYR  HA          129 GLN  HN          7.00    (#    897:10  Unique         4.16, 4.38 A)
 &rst
  ixpk= 897, nxpk= 10, iat=1923,1964, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  117 LEU  MD1         129 GLN  HN          7.00    (#    898:10  Unique         4.36, 5.82 A)
 &rst
  ixpk= 898, nxpk= 10, iat=  -1,1964, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1790,1791,1792,
 &end
#
#    0 AMB  10-2:899      0 AMB  10-1:899    5.50    (#    899:10  Double Ambig)
 &rst
  ixpk= 899, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2242, 244,2225,
 igr2=2283, 269,
 &end
#
#  148 ASP  HA          147 LYS  HN          7.00    (#    901:10  Unique         4.56, 5.15 A)
 &rst
  ixpk= 901, nxpk= 10, iat=2307,2283, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  147 LYS  HA          147 LYS  HN          3.50    (#    902:10  Unique         2.79, 2.88 A)
 &rst
  ixpk= 902, nxpk= 10, iat=2285,2283, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:903    147 LYS  HN          3.50    (#    903:10  Single Ambig)
 &rst
  ixpk= 903, nxpk= 10, iat=  -1,2283, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2263,2227,
 &end
#
#    0 AMB  10-2:904    147 LYS  HN          3.50    (#    904:10  Single Ambig)
 &rst
  ixpk= 904, nxpk= 10, iat=  -1,2283, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2287,2288,2265,2266,
 &end
#
#    0 AMB  10-2:905    147 LYS  HN          5.50    (#    905:10  Single Ambig)
 &rst
  ixpk= 905, nxpk= 10, iat=  -1,2283, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2293,2294,2213,2214,
 &end
#
#    0 AMB  10-2:906    147 LYS  HN          5.50    (#    906:10  Single Ambig)
 &rst
  ixpk= 906, nxpk= 10, iat=  -1,2283, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2348,2349,2210,2211,2268,2269,
 &end
#
#  147 LYS  HG+         147 LYS  HN          4.50    (#    907:10  Unique         2.48, 4.23 A)
 &rst
  ixpk= 907, nxpk= 10, iat=  -1,2283, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2290,2291,
 &end
#
#    0 AMB  10-2:908      0 AMB  10-1:908    4.50    (#    908:10  Double Ambig)
 &rst
  ixpk= 908, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1= 801, 802, 803,2255,2256,2257, 450, 451, 452, 234,
       235,
 igr2= 269,2283,
 &end
#
#  139 ARG  HN          138 LEU  HN          4.50    (#    910:10  Unique         2.54, 2.62 A)
 &rst
  ixpk= 910, nxpk= 10, iat=2133,2114, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  140 GLN  HN          138 LEU  HN          5.50    (#    911:10  Unique         4.09, 4.17 A)
 &rst
  ixpk= 911, nxpk= 10, iat=2157,2114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  138 LEU  HA          138 LEU  HN          5.50    (#    912:10  Unique         2.86, 2.87 A)
 &rst
  ixpk= 912, nxpk= 10, iat=2116,2114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:913    138 LEU  HN          4.50    (#    913:10  Single Ambig)
 &rst
  ixpk= 913, nxpk= 10, iat=  -1,2114, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=2102,2140,2141,2087,2088,
 &end
#
#  138 LEU  HB-         138 LEU  HN          5.50    (#    914:10  Unique         2.24, 2.90 A)
 &rst
  ixpk= 914, nxpk= 10, iat=  -1,2114, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2118,2119,
 &end
#
#  137 LEU  HB-         138 LEU  HN          5.50    (#    915:10  Unique         2.47, 3.18 A)
 &rst
  ixpk= 915, nxpk= 10, iat=  -1,2114, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2099,2100,
 &end
#
#    0 AMB  10-2:916    138 LEU  HN          5.50    (#    916:10  Single Ambig)
 &rst
  ixpk= 916, nxpk= 10, iat=  -1,2114, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2127,2128,2129,2108,2109,2110,
 &end
#
#  137 LEU  HN          138 LEU  HN          5.50    (#    917:10  Unique         2.63, 2.66 A)
 &rst
  ixpk= 917, nxpk= 10, iat=2095,2114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:918    138 LEU  HN          5.50    (#    918:10  Single Ambig)
 &rst
  ixpk= 918, nxpk= 10, iat=  -1,2114, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=2097,2082,2135,
 &end
#
#  134 LEU  HA          138 LEU  HN          7.00    (#    919:10  Unique         3.85, 3.89 A)
 &rst
  ixpk= 919, nxpk= 10, iat=2048,2114, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  135 GLU  HA          138 LEU  HN          5.50    (#    920:10  Unique         3.29, 3.45 A)
 &rst
  ixpk= 920, nxpk= 10, iat=2067,2114, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:921    138 LEU  HN          4.50    (#    921:10  Single Ambig)
 &rst
  ixpk= 921, nxpk= 10, iat=  -1,2114, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2072,2073,2069,2070,2050,2051,
 &end
#
#    0 AMB  10-2:922    138 LEU  HN          4.50    (#    922:10  Single Ambig)
 &rst
  ixpk= 922, nxpk= 10, iat=  -1,2114, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 288, 289, 290,1611,
 &end
#
#  123 SER  HN          124 ILE  HN          7.00    (#    923:10  Unique         4.53, 4.55 A)
 &rst
  ixpk= 923, nxpk= 10, iat=1860,1871, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  125 ASP  HN          124 ILE  HN          4.50    (#    924:10  Unique         2.77, 2.80 A)
 &rst
  ixpk= 924, nxpk= 10, iat=1890,1871, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  123 SER  HA          124 ILE  HN          3.50    (#    926:10  Unique         2.48, 2.50 A)
 &rst
  ixpk= 926, nxpk= 10, iat=1862,1871, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  123 SER  HB+         124 ILE  HN          4.50    (#    928:10  Unique         2.38, 3.08 A)
 &rst
  ixpk= 928, nxpk= 10, iat=  -1,1871, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1864,1865,
 &end
#
#  123 SER  HB-         124 ILE  HN          4.50    (#    929:10  Unique         2.38, 3.08 A)
 &rst
  ixpk= 929, nxpk= 10, iat=  -1,1871, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1864,1865,
 &end
#
#  124 ILE  HB          124 ILE  HN          3.50    (#    930:10  Unique         2.21, 2.45 A)
 &rst
  ixpk= 930, nxpk= 10, iat=1875,1871, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  124 ILE  QG2         124 ILE  HN          3.50    (#    931:10  Unique         2.02, 3.01 A)
 &rst
  ixpk= 931, nxpk= 10, iat=  -1,1871, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1877,1878,1879,
 &end
#
#    0 AMB  10-2:932    130 THR  HN          5.50    (#    932:10  Single Ambig)
 &rst
  ixpk= 932, nxpk= 10, iat=  -1,1981, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1944,1997,
 &end
#
#    0 AMB  10-2:933    130 THR  HN          5.50    (#    933:10  Single Ambig)
 &rst
  ixpk= 933, nxpk= 10, iat=  -1,1981, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1971,1972,2035,2036,
 &end
#
#  129 GLN  HB-         130 THR  HN          4.50    (#    934:10  Unique         2.62, 3.13 A)
 &rst
  ixpk= 934, nxpk= 10, iat=  -1,1981, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1968,1969,
 &end
#
#    0 AMB  10-2:935      0 AMB  10-1:935    4.50    (#    935:10  Double Ambig)
 &rst
  ixpk= 935, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1819,1820,1785,1786,1105,1106,
 igr2=1981,1424,
 &end
#
#  126 ILE  QG2         130 THR  HN          5.50    (#    936:10  Unique         4.26, 5.20 A)
 &rst
  ixpk= 936, nxpk= 10, iat=  -1,1981, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1908,1909,1910,
 &end
#
#  129 GLN  HA          130 THR  HN          4.50    (#    937:10  Unique         3.54, 3.56 A)
 &rst
  ixpk= 937, nxpk= 10, iat=1966,1981, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  130 THR  HB          130 THR  HN          3.50    (#    938:10  Unique         2.24, 2.35 A)
 &rst
  ixpk= 938, nxpk= 10, iat=1985,1981, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  130 THR  HA          130 THR  HN          3.50    (#    939:10  Unique         2.82, 2.83 A)
 &rst
  ixpk= 939, nxpk= 10, iat=1983,1981, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:940    130 THR  HN          5.50    (#    940:10  Single Ambig)
 &rst
  ixpk= 940, nxpk= 10, iat=  -1,1981, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1971,1972,1999,2000,1925,1926,
 &end
#
#  129 GLN  HB+         130 THR  HN          3.50    (#    941:10  Unique         2.62, 3.13 A)
 &rst
  ixpk= 941, nxpk= 10, iat=  -1,1981, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1968,1969,
 &end
#
#  130 THR  MG2         130 THR  HN          4.50    (#    942:10  Unique         2.84, 4.32 A)
 &rst
  ixpk= 942, nxpk= 10, iat=  -1,1981, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1987,1988,1989,
 &end
#
#  117 LEU  MD1         130 THR  HN          4.50    (#    943:10  Unique         2.90, 4.78 A)
 &rst
  ixpk= 943, nxpk= 10, iat=  -1,1981, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1790,1791,1792,
 &end
#
#    0 AMB  10-2:944     75 GLU  HN          4.50    (#    944:10  Single Ambig)
 &rst
  ixpk= 944, nxpk= 10, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1098,1079,
 &end
#
#   71 GLU  HA           75 GLU  HN          5.50    (#    946:10  Unique         3.93, 3.97 A)
 &rst
  ixpk= 946, nxpk= 10, iat=1051,1115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 GLU  HA           75 GLU  HN          4.50    (#    947:10  Unique         2.87, 2.89 A)
 &rst
  ixpk= 947, nxpk= 10, iat=1117,1115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 MET  HG+          75 GLU  HN          5.50    (#    948:10  Unique         2.49, 3.45 A)
 &rst
  ixpk= 948, nxpk= 10, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1105,1106,
 &end
#
#    0 AMB  10-2:950    147 LYS  HN          7.00    (#    950:10  Single Ambig)
 &rst
  ixpk= 950, nxpk= 10, iat=  -1,2283, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2229,2230,2232,2233,
 &end
#
#    0 AMB  10-2:952    138 LEU  HN          7.00    (#    952:10  Single Ambig)
 &rst
  ixpk= 952, nxpk= 10, iat=  -1,2114, r1= 1.30, r2= 1.80, r3=10.44, r4=10.94,
 igr1=1687,1688,1689,1613,1614,1615,1771,1772,1773, 361,
       362,
 &end
#
#  124 ILE  HA          124 ILE  HN          4.50    (#    954:10  Unique         2.79, 2.80 A)
 &rst
  ixpk= 954, nxpk= 10, iat=1873,1871, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  124 ILE  HG1+        124 ILE  HN          5.50    (#    955:10  Unique         4.17, 4.54 A)
 &rst
  ixpk= 955, nxpk= 10, iat=  -1,1871, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1881,1882,
 &end
#
#   95 PHE  QD           95 PHE  HN          3.50    (#    957:10  Unique         3.54, 3.85 A)
 &rst
  ixpk= 957, nxpk= 10, iat=  -1,1424, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1432,1440,
 &end
#
#   95 PHE  HD2          95 PHE  HN          5.50    (#    958:10  Unique         3.54, 3.59 A)
 &rst
  ixpk= 958, nxpk= 10, iat=1440,1424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 PHE  HB+          95 PHE  HN          4.50    (#    959:10  Unique         2.34, 2.97 A)
 &rst
  ixpk= 959, nxpk= 10, iat=  -1,1424, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1428,1429,
 &end
#
#   94 GLN  HG-          95 PHE  HN          5.50    (#    960:10  Unique         2.38, 2.81 A)
 &rst
  ixpk= 960, nxpk= 10, iat=  -1,1424, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1414,1415,
 &end
#
#    0 AMB  10-2:961      0 AMB  10-1:961    3.50    (#    961:10  Double Ambig)
 &rst
  ixpk= 961, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1411,1412,1952,1953,
 igr2=1424,1981,
 &end
#
#    0 AMB  10-2:962      0 AMB  10-1:962    5.50    (#    962:10  Double Ambig)
 &rst
  ixpk= 962, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1109,1110,1111,1912,1913,
 igr2=1424,1981,
 &end
#
#    0 AMB  10-2:963      0 AMB  10-1:963    5.50    (#    963:10  Double Ambig)
 &rst
  ixpk= 963, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1788,1390,1391,1392,
 igr2=1981,1424,
 &end
#
#    0 AMB  10-2:964      0 AMB  10-1:964    4.50    (#    964:10  Double Ambig)
 &rst
  ixpk= 964, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1411,1412,1816,1817,
 igr2=1424,1981,
 &end
#
#    0 AMB  10-2:965      0 AMB  10-1:965    5.50    (#    965:10  Double Ambig)
 &rst
  ixpk= 965, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1373,1374,1375,2050,2051,
 igr2=1424,1981,
 &end
#
#   94 GLN  HN           95 PHE  HN          3.50    (#    967:10  Unique         2.49, 2.52 A)
 &rst
  ixpk= 967, nxpk= 10, iat=1407,1424, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   93 SER  HN           95 PHE  HN          5.50    (#    968:10  Unique         4.14, 4.21 A)
 &rst
  ixpk= 968, nxpk= 10, iat=1396,1424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 PHE  HA           95 PHE  HN          4.50    (#    969:10  Unique         2.93, 2.94 A)
 &rst
  ixpk= 969, nxpk= 10, iat=1426,1424, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   93 SER  HA           95 PHE  HN          5.50    (#    970:10  Unique         4.45, 4.57 A)
 &rst
  ixpk= 970, nxpk= 10, iat=1398,1424, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:971      0 AMB  10-1:971    5.50    (#    971:10  Double Ambig)
 &rst
  ixpk= 971, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1369,1814,
 igr2=1424,1981,
 &end
#
#   95 PHE  HB-          95 PHE  HN          4.50    (#    972:10  Unique         2.34, 2.97 A)
 &rst
  ixpk= 972, nxpk= 10, iat=  -1,1424, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1428,1429,
 &end
#
#    0 AMB  10-2:973     95 PHE  HN          7.00    (#    973:10  Single Ambig)
 &rst
  ixpk= 973, nxpk= 10, iat=  -1,1424, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1434,1438,1483,1492,
 &end
#
#   97 ARG  HB+          97 ARG  HN          7.00    (#    976:10  Unique         2.84, 3.32 A)
 &rst
  ixpk= 976, nxpk= 10, iat=  -1,1451, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1455,1456,
 &end
#
#   97 ARG  HB-          97 ARG  HN          7.00    (#    977:10  Unique         2.84, 3.32 A)
 &rst
  ixpk= 977, nxpk= 10, iat=  -1,1451, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1455,1456,
 &end
#
#   97 ARG  HB+          97 ARG  HN          7.00    (#    979:10  Unique         2.84, 3.32 A)
 &rst
  ixpk= 979, nxpk= 10, iat=  -1,1451, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1455,1456,
 &end
#
#  138 LEU  HN          137 LEU  HN          5.50    (#    981:10  Unique         2.63, 2.66 A)
 &rst
  ixpk= 981, nxpk= 10, iat=2114,2095, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:982      0 AMB  10-1:982    5.50    (#    982:10  Double Ambig)
 &rst
  ixpk= 982, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=2087,2088,2038,2039, 426, 427,2229,2230,
 igr2=2095,2261,
 &end
#
#  136 GLU  HB+         137 LEU  HN          3.50    (#    983:10  Unique         2.61, 3.28 A)
 &rst
  ixpk= 983, nxpk= 10, iat=  -1,2095, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2084,2085,
 &end
#
#  137 LEU  HB-         137 LEU  HN          4.50    (#    984:10  Unique         2.41, 2.54 A)
 &rst
  ixpk= 984, nxpk= 10, iat=  -1,2095, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2099,2100,
 &end
#
#  109 VAL  MG1         137 LEU  HN          5.50    (#    985:10  Unique         5.69, 7.04 A)
 &rst
  ixpk= 985, nxpk= 10, iat=  -1,2095, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1687,1688,1689,
 &end
#
#    0 AMB  10-2:986    137 LEU  HN          5.50    (#    986:10  Single Ambig)
 &rst
  ixpk= 986, nxpk= 10, iat=  -1,2095, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 288, 289, 290,1611,
 &end
#
#  134 LEU  HA          137 LEU  HN          7.00    (#    987:10  Unique         3.34, 3.45 A)
 &rst
  ixpk= 987, nxpk= 10, iat=2048,2095, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  145 LEU  HN          146 LYS  HN          3.50    (#    991:10  Unique         2.77, 2.83 A)
 &rst
  ixpk= 991, nxpk= 10, iat=2242,2261, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:992    146 LYS  HN          7.00    (#    992:10  Single Ambig)
 &rst
  ixpk= 992, nxpk= 10, iat=  -1,2261, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2305,2317,
 &end
#
#  143 LYS  HN          146 LYS  HN          7.00    (#    993:10  Unique         4.66, 4.81 A)
 &rst
  ixpk= 993, nxpk= 10, iat=2203,2261, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  145 LEU  HA          146 LYS  HN          4.50    (#    994:10  Unique         3.53, 3.59 A)
 &rst
  ixpk= 994, nxpk= 10, iat=2244,2261, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:995    146 LYS  HN          3.50    (#    995:10  Single Ambig)
 &rst
  ixpk= 995, nxpk= 10, iat=  -1,2261, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2263,2195,
 &end
#
#  143 LYS  HA          146 LYS  HN          4.50    (#    996:10  Unique         3.25, 3.45 A)
 &rst
  ixpk= 996, nxpk= 10, iat=2205,2261, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  146 LYS  HE+         146 LYS  HN          7.00    (#    997:10  Unique         3.85, 5.17 A)
 &rst
  ixpk= 997, nxpk= 10, iat=  -1,2261, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2274,2275,
 &end
#
#    0 AMB  10-2:998      0 AMB  10-1:998    7.00    (#    998:10  Double Ambig)
 &rst
  ixpk= 998, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=2164,2165,2232,2233,
 igr2=2095,2261,
 &end
#
#  146 LYS  HB+         146 LYS  HN          3.50    (#    999:10  Unique         2.15, 2.87 A)
 &rst
  ixpk= 999, nxpk= 10, iat=  -1,2261, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2265,2266,
 &end
#
#  146 LYS  HB-         146 LYS  HN          3.50    (#   1000:10  Unique         2.15, 2.87 A)
 &rst
  ixpk= 1000, nxpk= 10, iat=  -1,2261, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2265,2266,
 &end
#
#  146 LYS  HG+         146 LYS  HN          3.50    (#   1001:10  Unique         2.66, 3.44 A)
 &rst
  ixpk= 1001, nxpk= 10, iat=  -1,2261, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2268,2269,
 &end
#
#    0 AMB  10-2:1002   146 LYS  HN          3.50    (#   1002:10  Single Ambig)
 &rst
  ixpk= 1002, nxpk= 10, iat=  -1,2261, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2246,2247,2268,2269,
 &end
#
#    0 AMB  10-2:1003     0 AMB  10-1:1003   3.50    (#   1003:10  Double Ambig)
 &rst
  ixpk= 1003, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 450, 451, 452,2104,2105,2106,
 igr2=2261,2095,
 &end
#
#  140 GLN  HG-         140 GLN  HN          4.50    (#   1004:10  Unique         2.46, 3.12 A)
 &rst
  ixpk= 1004, nxpk= 10, iat=  -1,2157, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2164,2165,
 &end
#
#  140 GLN  HB-         140 GLN  HN          3.50    (#   1005:10  Unique         2.40, 3.05 A)
 &rst
  ixpk= 1005, nxpk= 10, iat=  -1,2157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2161,2162,
 &end
#
#    0 AMB  10-2:1006   140 GLN  HN          3.50    (#   1006:10  Single Ambig)
 &rst
  ixpk= 1006, nxpk= 10, iat=  -1,2157, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2137,2138,2087,2088,
 &end
#
#  139 ARG  HB-         140 GLN  HN          5.50    (#   1007:10  Unique         2.61, 3.22 A)
 &rst
  ixpk= 1007, nxpk= 10, iat=  -1,2157, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2137,2138,
 &end
#
#    0 AMB  10-2:1008   140 GLN  HN          5.50    (#   1008:10  Single Ambig)
 &rst
  ixpk= 1008, nxpk= 10, iat=  -1,2157, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2140,2141,2210,2211,
 &end
#
#  138 LEU  HN          140 GLN  HN          7.00    (#   1009:10  Unique         4.09, 4.17 A)
 &rst
  ixpk= 1009, nxpk= 10, iat=2114,2157, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1010   140 GLN  HN          5.50    (#   1010:10  Single Ambig)
 &rst
  ixpk= 1010, nxpk= 10, iat=  -1,2157, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=2178,2179,2197,2198,2199,
 &end
#
#    0 AMB  10-2:1011   140 GLN  HN          5.50    (#   1011:10  Single Ambig)
 &rst
  ixpk= 1011, nxpk= 10, iat=  -1,2157, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=2183,2184,2185,2104,2105,2106, 364, 365, 366, 357,
       358, 359,2123,2124,2125,
 &end
#
#    2 ASP  HN           78 ASP  HN          7.00    (#   1013:10  Unique         2.84, 3.09 A)
 &rst
  ixpk= 1013, nxpk= 10, iat=  21,1151, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1014    78 ASP  HN          7.00    (#   1014:10  Single Ambig)
 &rst
  ixpk= 1014, nxpk= 10, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1167,1168,  62,  63,
 &end
#
#   79 LEU  HN           78 ASP  HN          4.50    (#   1015:10  Unique         1.86, 1.89 A)
 &rst
  ixpk= 1015, nxpk= 10, iat=1163,1151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    2 ASP  HA           78 ASP  HN          7.00    (#   1016:10  Unique         4.43, 4.51 A)
 &rst
  ixpk= 1016, nxpk= 10, iat=  23,1151, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   78 ASP  HA           78 ASP  HN          5.50    (#   1017:10  Unique         2.97, 2.97 A)
 &rst
  ixpk= 1017, nxpk= 10, iat=1153,1151, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1018    78 ASP  HN          7.00    (#   1018:10  Single Ambig)
 &rst
  ixpk= 1018, nxpk= 10, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=   6,1132,
 &end
#
#   77 ALA  HA           78 ASP  HN          3.50    (#   1019:10  Unique         2.42, 2.50 A)
 &rst
  ixpk= 1019, nxpk= 10, iat=1143,1151, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   78 ASP  HB-          78 ASP  HN          3.50    (#   1020:10  Unique         2.59, 2.84 A)
 &rst
  ixpk= 1020, nxpk= 10, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1155,1156,
 &end
#
#   77 ALA  MB           78 ASP  HN          4.50    (#   1021:10  Unique         2.15, 3.07 A)
 &rst
  ixpk= 1021, nxpk= 10, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1145,1146,1147,
 &end
#
#    0 AMB  10-2:1022    78 ASP  HN          7.00    (#   1022:10  Single Ambig)
 &rst
  ixpk= 1022, nxpk= 10, iat=  -1,1151, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1192,1193,1194,1176,1177,1178,
 &end
#
#    0 AMB  10-2:1023    10 ASN  HN          3.70    (#   1023:10  Single Ambig)
 &rst
  ixpk= 1023, nxpk= 10, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 111, 112, 143, 144,
 &end
#
#   10 ASN  HA           10 ASN  HN          2.50    (#   1025:10  Unique         2.21, 2.27 A)
 &rst
  ixpk= 1025, nxpk= 10, iat= 141, 139, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  144 GLN  HN          142 ALA  HN          5.50    (#   1026:10  Unique         4.09, 4.18 A)
 &rst
  ixpk= 1026, nxpk= 10, iat=2225,2193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1027   142 ALA  HN          7.00    (#   1027:10  Single Ambig)
 &rst
  ixpk= 1027, nxpk= 10, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1668, 314,
 &end
#
#   21 PHE  QE          142 ALA  HN          4.50    (#   1028:10  Unique         2.41, 4.44 A)
 &rst
  ixpk= 1028, nxpk= 10, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 308, 312,
 &end
#
#   21 PHE  QD          142 ALA  HN          7.00    (#   1029:10  Unique         4.25, 5.91 A)
 &rst
  ixpk= 1029, nxpk= 10, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 306, 314,
 &end
#
#    0 AMB  10-2:1030   142 ALA  HN          4.50    (#   1030:10  Single Ambig)
 &rst
  ixpk= 1030, nxpk= 10, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=2249,2207,2208,2140,2141,
 &end
#
#    0 AMB  10-2:1031   142 ALA  HN          5.50    (#   1031:10  Single Ambig)
 &rst
  ixpk= 1031, nxpk= 10, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2207,2208,2246,2247,2137,2138,
 &end
#
#  138 LEU  MD2         142 ALA  HN          7.00    (#   1032:10  Unique         6.79, 7.49 A)
 &rst
  ixpk= 1032, nxpk= 10, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=2127,2128,2129,
 &end
#
#    0 AMB  10-2:1033    39 VAL  HN          7.00    (#   1033:10  Single Ambig)
 &rst
  ixpk= 1033, nxpk= 10, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 107, 132,
 &end
#
#    0 AMB  10-2:1036    39 VAL  HN          5.50    (#   1036:10  Single Ambig)
 &rst
  ixpk= 1036, nxpk= 10, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 576,1020,1021,
 &end
#
#    0 AMB  10-2:1037    39 VAL  HN          7.00    (#   1037:10  Single Ambig)
 &rst
  ixpk= 1037, nxpk= 10, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 612, 613, 614, 559, 560, 561,
 &end
#
#   39 VAL  MG1          39 VAL  HN          4.50    (#   1038:10  Unique         2.63, 4.22 A)
 &rst
  ixpk= 1038, nxpk= 10, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 578, 579, 580,
 &end
#
#   39 VAL  MG2          39 VAL  HN          5.50    (#   1039:10  Unique         1.91, 2.86 A)
 &rst
  ixpk= 1039, nxpk= 10, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 582, 583, 584,
 &end
#
#   40 PHE  HN           39 VAL  HN          2.70    (#   1040:10  Unique         2.61, 2.69 A)
 &rst
  ixpk= 1040, nxpk= 10, iat= 588, 572, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#    0 AMB  10-2:1041    39 VAL  HN          4.50    (#   1041:10  Single Ambig)
 &rst
  ixpk= 1041, nxpk= 10, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 120, 574,
 &end
#
#   56 PHE  HN           57 GLU  HN          4.50    (#   1042:10  Unique         2.62, 2.65 A)
 &rst
  ixpk= 1042, nxpk= 10, iat= 811, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 PHE  QE           57 GLU  HN          7.00    (#   1043:10  Unique         6.07, 6.78 A)
 &rst
  ixpk= 1043, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 821, 825,
 &end
#
#   58 LYS  HN           57 GLU  HN          4.50    (#   1044:10  Unique         2.70, 2.73 A)
 &rst
  ixpk= 1044, nxpk= 10, iat= 846, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 PHE  HA           57 GLU  HN          4.50    (#   1046:10  Unique         3.60, 3.61 A)
 &rst
  ixpk= 1046, nxpk= 10, iat= 813, 831, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 GLU  HA           57 GLU  HN          3.50    (#   1047:10  Unique         2.83, 2.86 A)
 &rst
  ixpk= 1047, nxpk= 10, iat= 833, 831, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 PHE  HB-          57 GLU  HN          5.50    (#   1048:10  Unique         2.72, 3.36 A)
 &rst
  ixpk= 1048, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 815, 816,
 &end
#
#   56 PHE  HB+          57 GLU  HN          5.50    (#   1049:10  Unique         2.72, 3.36 A)
 &rst
  ixpk= 1049, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 815, 816,
 &end
#
#   57 GLU  HG+          57 GLU  HN          5.50    (#   1050:10  Unique         2.55, 4.18 A)
 &rst
  ixpk= 1050, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 838, 839,
 &end
#
#   57 GLU  HG-          57 GLU  HN          5.50    (#   1051:10  Unique         2.55, 4.18 A)
 &rst
  ixpk= 1051, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 838, 839,
 &end
#
#   57 GLU  HB+          57 GLU  HN          3.50    (#   1052:10  Unique         2.24, 2.57 A)
 &rst
  ixpk= 1052, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 835, 836,
 &end
#
#   57 GLU  HB-          57 GLU  HN          3.50    (#   1053:10  Unique         2.24, 2.57 A)
 &rst
  ixpk= 1053, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 835, 836,
 &end
#
#   55 LEU  HB+          57 GLU  HN          5.50    (#   1054:10  Unique         5.29, 5.52 A)
 &rst
  ixpk= 1054, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 796, 797,
 &end
#
#   58 LYS  HB-          57 GLU  HN          7.00    (#   1055:10  Unique         5.01, 5.10 A)
 &rst
  ixpk= 1055, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 850, 851,
 &end
#
#    0 AMB  10-2:1056    57 GLU  HN          5.50    (#   1056:10  Single Ambig)
 &rst
  ixpk= 1056, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 786, 787, 788, 889, 853, 854,
 &end
#
#  141 LEU  HN          140 GLN  HN          3.50    (#   1058:10  Unique         2.63, 2.68 A)
 &rst
  ixpk= 1058, nxpk= 10, iat=2174,2157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1059   140 GLN  HN          3.50    (#   1059:10  Single Ambig)
 &rst
  ixpk= 1059, nxpk= 10, iat=  -1,2157, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2159,2097,2135,
 &end
#
#  140 GLN  HG+         140 GLN  HN          3.50    (#   1060:10  Unique         2.46, 3.12 A)
 &rst
  ixpk= 1060, nxpk= 10, iat=  -1,2157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2164,2165,
 &end
#
#  109 VAL  MG1         140 GLN  HN          5.50    (#   1061:10  Unique         4.20, 5.12 A)
 &rst
  ixpk= 1061, nxpk= 10, iat=  -1,2157, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1687,1688,1689,
 &end
#
#  140 GLN  HB+         140 GLN  HN          3.50    (#   1062:10  Unique         2.40, 3.05 A)
 &rst
  ixpk= 1062, nxpk= 10, iat=  -1,2157, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2161,2162,
 &end
#
#   41 ALA  HA           42 SER  HN          2.50    (#   1064:10  Unique         2.20, 2.45 A)
 &rst
  ixpk= 1064, nxpk= 10, iat= 610, 618, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   42 SER  HB+          42 SER  HN          3.50    (#   1065:10  Unique         2.57, 3.25 A)
 &rst
  ixpk= 1065, nxpk= 10, iat=  -1, 618, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 622, 623,
 &end
#
#   41 ALA  MB           42 SER  HN          4.50    (#   1066:10  Unique         2.28, 3.42 A)
 &rst
  ixpk= 1066, nxpk= 10, iat=  -1, 618, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 612, 613, 614,
 &end
#
#  143 LYS  HN          142 ALA  HN          4.50    (#   1067:10  Unique         2.63, 2.69 A)
 &rst
  ixpk= 1067, nxpk= 10, iat=2203,2193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  141 LEU  HA          142 ALA  HN          5.50    (#   1068:10  Unique         3.56, 3.57 A)
 &rst
  ixpk= 1068, nxpk= 10, iat=2176,2193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  138 LEU  HA          142 ALA  HN          5.50    (#   1069:10  Unique         3.75, 3.90 A)
 &rst
  ixpk= 1069, nxpk= 10, iat=2116,2193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1070   142 ALA  HN          4.50    (#   1070:10  Single Ambig)
 &rst
  ixpk= 1070, nxpk= 10, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2135,2159,
 &end
#
#  142 ALA  HA          142 ALA  HN          3.50    (#   1071:10  Unique         2.84, 2.85 A)
 &rst
  ixpk= 1071, nxpk= 10, iat=2195,2193, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  143 LYS  HA          142 ALA  HN          7.00    (#   1072:10  Unique         5.28, 5.32 A)
 &rst
  ixpk= 1072, nxpk= 10, iat=2205,2193, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  141 LEU  HB+         142 ALA  HN          4.50    (#   1073:10  Unique         2.57, 3.07 A)
 &rst
  ixpk= 1073, nxpk= 10, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2178,2179,
 &end
#
#    0 AMB  10-2:1074   142 ALA  HN          3.50    (#   1074:10  Single Ambig)
 &rst
  ixpk= 1074, nxpk= 10, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=2197,2198,2199,2178,2179,
 &end
#
#    0 AMB  10-2:1075   142 ALA  HN          4.50    (#   1075:10  Single Ambig)
 &rst
  ixpk= 1075, nxpk= 10, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 357, 358, 359,2251,2252,2253, 364, 365, 366,2183,
      2184,2185,2123,2124,2125,
 &end
#
#  141 LEU  HG          142 ALA  HN          5.50    (#   1076:10  Unique         4.65, 4.95 A)
 &rst
  ixpk= 1076, nxpk= 10, iat=2181,2193, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  141 LEU  HN          142 ALA  HN          4.50    (#   1077:10  Unique         2.80, 2.82 A)
 &rst
  ixpk= 1077, nxpk= 10, iat=2174,2193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1078   142 ALA  HN          5.50    (#   1078:10  Single Ambig)
 &rst
  ixpk= 1078, nxpk= 10, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2161,2162, 426, 427, 423, 424,
 &end
#
#    0 AMB  10-2:1079   142 ALA  HN          7.00    (#   1079:10  Single Ambig)
 &rst
  ixpk= 1079, nxpk= 10, iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1=1687,1688,1689, 361, 362,
 &end
#
#    6 VAL  MG2          39 VAL  HN          5.50    (#   1080:10  Unique         2.68, 3.50 A)
 &rst
  ixpk= 1080, nxpk= 10, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 101, 102, 103,
 &end
#
#    0 AMB  10-2:1082    32 VAL  HN          3.50    (#   1082:10  Single Ambig)
 &rst
  ixpk= 1082, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 462, 476,
 &end
#
#   31 ASN  HB+          32 VAL  HN          5.50    (#   1083:10  Unique         4.30, 4.45 A)
 &rst
  ixpk= 1083, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 464, 465,
 &end
#
#   31 ASN  HB-          32 VAL  HN          5.50    (#   1084:10  Unique         4.30, 4.45 A)
 &rst
  ixpk= 1084, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 464, 465,
 &end
#
#   32 VAL  MG2          32 VAL  HN          4.50    (#   1085:10  Unique         2.63, 3.32 A)
 &rst
  ixpk= 1085, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 484, 485, 486,
 &end
#
#   32 VAL  MG1          32 VAL  HN          4.50    (#   1086:10  Unique         3.46, 4.17 A)
 &rst
  ixpk= 1086, nxpk= 10, iat=  -1, 474, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 480, 481, 482,
 &end
#
#    0 AMB  10-2:1087    88 LYS  HN          7.00    (#   1087:10  Single Ambig)
 &rst
  ixpk= 1087, nxpk= 10, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1244,1227,
 &end
#
#   89 GLN  HN           88 LYS  HN          4.50    (#   1088:10  Unique         2.77, 2.81 A)
 &rst
  ixpk= 1088, nxpk= 10, iat=1331,1309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87 HIS  HN           88 LYS  HN          4.50    (#   1089:10  Unique         2.64, 2.68 A)
 &rst
  ixpk= 1089, nxpk= 10, iat=1292,1309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1090     0 AMB  10-1:1090   5.50    (#   1090:10  Double Ambig)
 &rst
  ixpk= 1090, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1294, 813,
 igr2=1309, 792,
 &end
#
#   85 HIS  HA           88 LYS  HN          5.50    (#   1091:10  Unique         2.98, 3.06 A)
 &rst
  ixpk= 1091, nxpk= 10, iat=1260,1309, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87 HIS  HB-          88 LYS  HN          5.50    (#   1092:10  Unique         2.46, 3.14 A)
 &rst
  ixpk= 1092, nxpk= 10, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1296,1297,
 &end
#
#   88 LYS  HA           88 LYS  HN          4.50    (#   1093:10  Unique         2.83, 2.84 A)
 &rst
  ixpk= 1093, nxpk= 10, iat=1311,1309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   87 HIS  HB+          88 LYS  HN          5.50    (#   1094:10  Unique         2.46, 3.14 A)
 &rst
  ixpk= 1094, nxpk= 10, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1296,1297,
 &end
#
#   88 LYS  HB+          88 LYS  HN          3.50    (#   1095:10  Unique         2.33, 2.52 A)
 &rst
  ixpk= 1095, nxpk= 10, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1313,1314,
 &end
#
#   88 LYS  QD           88 LYS  HN          5.50    (#   1096:10  Unique         4.57, 5.19 A)
 &rst
  ixpk= 1096, nxpk= 10, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1319,1320,
 &end
#
#    0 AMB  10-2:1097    88 LYS  HN          3.50    (#   1097:10  Single Ambig)
 &rst
  ixpk= 1097, nxpk= 10, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1313,1314,1221,1222,1223,
 &end
#
#    0 AMB  10-2:1098     0 AMB  10-1:1098   5.50    (#   1098:10  Double Ambig)
 &rst
  ixpk= 1098, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 918, 919,1377,1378,1250,1251,1252,1358,1359,
 igr2= 792,1309,
 &end
#
#   39 VAL  MG1          88 LYS  HN          7.00    (#   1099:10  Unique         6.13, 7.92 A)
 &rst
  ixpk= 1099, nxpk= 10, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 578, 579, 580,
 &end
#
#  104 THR  MG2          88 LYS  HN          5.50    (#   1100:10  Unique         4.23, 5.22 A)
 &rst
  ixpk= 1100, nxpk= 10, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1596,1597,1598,
 &end
#
#   20 LEU  HA           21 PHE  HN          5.50    (#   1102:10  Unique         3.58, 3.59 A)
 &rst
  ixpk= 1102, nxpk= 10, iat= 281, 298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 LEU  HB+          21 PHE  HN          4.50    (#   1103:10  Unique         2.74, 3.22 A)
 &rst
  ixpk= 1103, nxpk= 10, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 283, 284,
 &end
#
#   20 LEU  HN           21 PHE  HN          4.50    (#   1104:10  Unique         2.59, 2.62 A)
 &rst
  ixpk= 1104, nxpk= 10, iat= 279, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 LYS  HN           21 PHE  HN          4.50    (#   1105:10  Unique         2.60, 2.65 A)
 &rst
  ixpk= 1105, nxpk= 10, iat= 318, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1106    21 PHE  HN          5.50    (#   1106:10  Single Ambig)
 &rst
  ixpk= 1106, nxpk= 10, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 306, 314,  79,  87,
 &end
#
#   21 PHE  HA           21 PHE  HN          5.50    (#   1107:10  Unique         2.86, 2.86 A)
 &rst
  ixpk= 1107, nxpk= 10, iat= 300, 298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 PHE  HB-          21 PHE  HN          4.50    (#   1108:10  Unique         2.49, 2.67 A)
 &rst
  ixpk= 1108, nxpk= 10, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 302, 303,
 &end
#
#    0 AMB  10-2:1109    21 PHE  HN          5.50    (#   1109:10  Single Ambig)
 &rst
  ixpk= 1109, nxpk= 10, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 325, 326, 328, 329,
 &end
#
#   20 LEU  HB-          21 PHE  HN          5.50    (#   1110:10  Unique         2.74, 3.22 A)
 &rst
  ixpk= 1110, nxpk= 10, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 283, 284,
 &end
#
#  138 LEU  MD2          21 PHE  HN          5.50    (#   1111:10  Unique         2.70, 3.58 A)
 &rst
  ixpk= 1111, nxpk= 10, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=2127,2128,2129,
 &end
#
#   41 ALA  HN           42 SER  HN          4.50    (#   1112:10  Unique         4.35, 4.53 A)
 &rst
  ixpk= 1112, nxpk= 10, iat= 608, 618, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1113    55 LEU  HN          3.50    (#   1113:10  Single Ambig)
 &rst
  ixpk= 1113, nxpk= 10, iat=  -1, 792, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 811, 782,
 &end
#
#    0 AMB  10-2:1114    55 LEU  HN          5.50    (#   1114:10  Single Ambig)
 &rst
  ixpk= 1114, nxpk= 10, iat=  -1, 792, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 743, 769,
 &end
#
#   56 PHE  HB-          55 LEU  HN          7.00    (#   1115:10  Unique         4.57, 4.98 A)
 &rst
  ixpk= 1115, nxpk= 10, iat=  -1, 792, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 815, 816,
 &end
#
#    0 AMB  10-2:1116    55 LEU  HN          7.00    (#   1116:10  Single Ambig)
 &rst
  ixpk= 1116, nxpk= 10, iat=  -1, 792, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2005,2006, 815, 816,
 &end
#
#   55 LEU  HB+          55 LEU  HN          3.50    (#   1117:10  Unique         2.17, 2.91 A)
 &rst
  ixpk= 1117, nxpk= 10, iat=  -1, 792, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 796, 797,
 &end
#
#   54 ALA  MB           55 LEU  HN          3.50    (#   1118:10  Unique         2.51, 3.39 A)
 &rst
  ixpk= 1118, nxpk= 10, iat=  -1, 792, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 786, 787, 788,
 &end
#
#   52 VAL  MG1          55 LEU  HN          7.00    (#   1119:10  Unique         5.95, 6.36 A)
 &rst
  ixpk= 1119, nxpk= 10, iat=  -1, 792, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 757, 758, 759,
 &end
#
#    0 AMB  10-2:1120     0 AMB  10-1:1120   7.00    (#   1120:10  Double Ambig)
 &rst
  ixpk= 1120, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 923, 924, 925,1380,1381,1382,
 igr2= 792,1309,
 &end
#
#   78 ASP  HN           79 LEU  HN          3.50    (#   1121:10  Unique         1.86, 1.89 A)
 &rst
  ixpk= 1121, nxpk= 10, iat=1151,1163, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 ILE  HN           79 LEU  HN          5.50    (#   1122:10  Unique         3.75, 3.97 A)
 &rst
  ixpk= 1122, nxpk= 10, iat=  52,1163, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 ALA  HN           79 LEU  HN          7.00    (#   1123:10  Unique         5.76, 5.83 A)
 &rst
  ixpk= 1123, nxpk= 10, iat=1141,1163, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1124    79 LEU  HN          3.50    (#   1124:10  Single Ambig)
 &rst
  ixpk= 1124, nxpk= 10, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  35,1153,
 &end
#
#   79 LEU  HA           79 LEU  HN          4.50    (#   1125:10  Unique         2.94, 2.95 A)
 &rst
  ixpk= 1125, nxpk= 10, iat=1165,1163, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 ALA  HA           79 LEU  HN          4.50    (#   1126:10  Unique         4.15, 4.22 A)
 &rst
  ixpk= 1126, nxpk= 10, iat=1143,1163, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 ASP  HB-          79 LEU  HN          3.50    (#   1127:10  Unique         2.99, 3.68 A)
 &rst
  ixpk= 1127, nxpk= 10, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1155,1156,
 &end
#
#    0 AMB  10-2:1128    79 LEU  HN          5.50    (#   1128:10  Single Ambig)
 &rst
  ixpk= 1128, nxpk= 10, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1539,1540,  43,  44,  56,
 &end
#
#   79 LEU  HB+          79 LEU  HN          3.50    (#   1129:10  Unique         2.67, 2.94 A)
 &rst
  ixpk= 1129, nxpk= 10, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1167,1168,
 &end
#
#   77 ALA  MB           79 LEU  HN          3.50    (#   1130:10  Unique         2.72, 3.74 A)
 &rst
  ixpk= 1130, nxpk= 10, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1145,1146,1147,
 &end
#
#    3 ILE  HG1+         79 LEU  HN          5.50    (#   1131:10  Unique         4.17, 4.75 A)
 &rst
  ixpk= 1131, nxpk= 10, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  43,  44,
 &end
#
#    0 AMB  10-2:1132    79 LEU  HN          5.50    (#   1132:10  Single Ambig)
 &rst
  ixpk= 1132, nxpk= 10, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  46,  47,  48,1188,1189,1190,
 &end
#
#    0 AMB  10-2:1133    79 LEU  HN          5.50    (#   1133:10  Single Ambig)
 &rst
  ixpk= 1133, nxpk= 10, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1192,1193,1194,1176,1177,1178,
 &end
#
#   79 LEU  MD1          79 LEU  HN          5.50    (#   1134:10  Unique         4.87, 5.43 A)
 &rst
  ixpk= 1134, nxpk= 10, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1172,1173,1174,
 &end
#
#    3 ILE  QG2          79 LEU  HN          7.00    (#   1135:10  Unique         4.48, 5.49 A)
 &rst
  ixpk= 1135, nxpk= 10, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  39,  40,  41,
 &end
#
#    0 AMB  10-2:1136    21 PHE  HN          5.50    (#   1136:10  Single Ambig)
 &rst
  ixpk= 1136, nxpk= 10, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 514, 515, 516, 273, 274, 275,
 &end
#
#   21 PHE  HD2          21 PHE  HN          5.50    (#   1137:10  Unique         5.00, 5.07 A)
 &rst
  ixpk= 1137, nxpk= 10, iat= 314, 298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1138    21 PHE  HN          5.50    (#   1138:10  Single Ambig)
 &rst
  ixpk= 1138, nxpk= 10, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 256, 320,
 &end
#
#   17 ALA  HA           21 PHE  HN          5.50    (#   1139:10  Unique         3.66, 3.76 A)
 &rst
  ixpk= 1139, nxpk= 10, iat= 246, 298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 PHE  HB+          21 PHE  HN          4.50    (#   1140:10  Unique         2.49, 2.67 A)
 &rst
  ixpk= 1140, nxpk= 10, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 302, 303,
 &end
#
#    0 AMB  10-2:1141    21 PHE  HN          4.50    (#   1141:10  Single Ambig)
 &rst
  ixpk= 1141, nxpk= 10, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 286, 288, 289, 290,
 &end
#
#   98 TYR  HA          100 ASP  HN          5.50    (#   1147:10  Unique         3.20, 3.44 A)
 &rst
  ixpk= 1147, nxpk= 10, iat=1477,1520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98 TYR  HN          100 ASP  HN          7.00    (#   1148:10  Unique         5.16, 5.32 A)
 &rst
  ixpk= 1148, nxpk= 10, iat=1475,1520, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  101 LYS  HN          100 ASP  HN          4.50    (#   1149:10  Unique         2.84, 2.92 A)
 &rst
  ixpk= 1149, nxpk= 10, iat=1532,1520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   99 ARG  HN          100 ASP  HN          4.50    (#   1150:10  Unique         2.49, 2.61 A)
 &rst
  ixpk= 1150, nxpk= 10, iat=1496,1520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  102 VAL  HN          100 ASP  HN          7.00    (#   1151:10  Unique         4.10, 4.22 A)
 &rst
  ixpk= 1151, nxpk= 10, iat=1554,1520, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  101 LYS  HA          100 ASP  HN          5.50    (#   1153:10  Unique         5.43, 5.50 A)
 &rst
  ixpk= 1153, nxpk= 10, iat=1534,1520, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100 ASP  HA          100 ASP  HN          3.50    (#   1154:10  Unique         2.75, 2.78 A)
 &rst
  ixpk= 1154, nxpk= 10, iat=1522,1520, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   99 ARG  HA          100 ASP  HN          4.50    (#   1155:10  Unique         3.35, 3.45 A)
 &rst
  ixpk= 1155, nxpk= 10, iat=1498,1520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1156     0 AMB  10-1:1156   5.50    (#   1156:10  Double Ambig)
 &rst
  ixpk= 1156, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1506,1507,2005,2006,
 igr2=1520,2046,
 &end
#
#  100 ASP  HB+         100 ASP  HN          4.50    (#   1157:10  Unique         2.39, 2.48 A)
 &rst
  ixpk= 1157, nxpk= 10, iat=  -1,1520, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1524,1525,
 &end
#
#  100 ASP  HB-         100 ASP  HN          3.50    (#   1158:10  Unique         2.39, 2.48 A)
 &rst
  ixpk= 1158, nxpk= 10, iat=  -1,1520, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1524,1525,
 &end
#
#    0 AMB  10-2:1159   100 ASP  HN          4.50    (#   1159:10  Single Ambig)
 &rst
  ixpk= 1159, nxpk= 10, iat=  -1,1520, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1500,1501,1536,1537,
 &end
#
#   99 ARG  HG-         100 ASP  HN          4.50    (#   1160:10  Unique         3.03, 4.72 A)
 &rst
  ixpk= 1160, nxpk= 10, iat=  -1,1520, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1503,1504,
 &end
#
#  101 LYS  HG-         100 ASP  HN          7.00    (#   1161:10  Unique         4.35, 5.44 A)
 &rst
  ixpk= 1161, nxpk= 10, iat=  -1,1520, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1539,1540,
 &end
#
#  146 LYS  HN          145 LEU  HN          4.50    (#   1162:10  Unique         2.77, 2.83 A)
 &rst
  ixpk= 1162, nxpk= 10, iat=2261,2242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1163   145 LEU  HN          4.50    (#   1163:10  Single Ambig)
 &rst
  ixpk= 1163, nxpk= 10, iat=  -1,2242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2244,2176,
 &end
#
#    0 AMB  10-2:1164   145 LEU  HN          4.50    (#   1164:10  Single Ambig)
 &rst
  ixpk= 1164, nxpk= 10, iat=  -1,2242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2195,2227,
 &end
#
#  143 LYS  HA          145 LEU  HN          7.00    (#   1165:10  Unique         4.43, 4.53 A)
 &rst
  ixpk= 1165, nxpk= 10, iat=2205,2242, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  144 GLN  HG-         145 LEU  HN          5.50    (#   1166:10  Unique         4.39, 4.79 A)
 &rst
  ixpk= 1166, nxpk= 10, iat=  -1,2242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2232,2233,
 &end
#
#  144 GLN  HB+         145 LEU  HN          4.50    (#   1167:10  Unique         2.49, 3.08 A)
 &rst
  ixpk= 1167, nxpk= 10, iat=  -1,2242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2229,2230,
 &end
#
#    0 AMB  10-2:1168   145 LEU  HN          7.00    (#   1168:10  Single Ambig)
 &rst
  ixpk= 1168, nxpk= 10, iat=  -1,2242, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2178,2179,2161,2162,
 &end
#
#  144 GLN  HB-         145 LEU  HN          5.50    (#   1169:10  Unique         2.49, 3.08 A)
 &rst
  ixpk= 1169, nxpk= 10, iat=  -1,2242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2229,2230,
 &end
#
#  145 LEU  HG          145 LEU  HN          3.50    (#   1170:10  Unique         2.38, 2.45 A)
 &rst
  ixpk= 1170, nxpk= 10, iat=2249,2242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  145 LEU  HB+         145 LEU  HN          3.50    (#   1171:10  Unique         2.39, 3.09 A)
 &rst
  ixpk= 1171, nxpk= 10, iat=  -1,2242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2246,2247,
 &end
#
#  145 LEU  HB-         145 LEU  HN          3.50    (#   1172:10  Unique         2.39, 3.09 A)
 &rst
  ixpk= 1172, nxpk= 10, iat=  -1,2242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2246,2247,
 &end
#
#    0 AMB  10-2:1173   145 LEU  HN          3.50    (#   1173:10  Single Ambig)
 &rst
  ixpk= 1173, nxpk= 10, iat=  -1,2242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2255,2256,2257,2251,2252,2253, 450, 451, 452,
 &end
#
#  143 LYS  HN          145 LEU  HN          7.00    (#   1174:10  Unique         4.19, 4.25 A)
 &rst
  ixpk= 1174, nxpk= 10, iat=2203,2242, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   15 PRO  HA           18 GLU  HN          5.50    (#   1175:10  Unique         2.95, 3.12 A)
 &rst
  ixpk= 1175, nxpk= 10, iat= 223, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1176    18 GLU  HN          5.50    (#   1176:10  Single Ambig)
 &rst
  ixpk= 1176, nxpk= 10, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 548, 549, 229, 206, 207,
 &end
#
#    0 AMB  10-2:1177    18 GLU  HN          7.00    (#   1177:10  Single Ambig)
 &rst
  ixpk= 1177, nxpk= 10, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2055,2056,2057, 286,
 &end
#
#    0 AMB  10-2:1178    18 GLU  HN          5.50    (#   1178:10  Single Ambig)
 &rst
  ixpk= 1178, nxpk= 10, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 220, 221,2055,2056,2057, 927, 928, 929,
 &end
#
#   17 ALA  HN           18 GLU  HN          4.50    (#   1179:10  Unique         2.61, 2.69 A)
 &rst
  ixpk= 1179, nxpk= 10, iat= 244, 254, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 ALA  HN           18 GLU  HN          4.50    (#   1180:10  Unique         2.78, 2.80 A)
 &rst
  ixpk= 1180, nxpk= 10, iat= 269, 254, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1181    18 GLU  HN          5.50    (#   1181:10  Single Ambig)
 &rst
  ixpk= 1181, nxpk= 10, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  79,  87, 227,
 &end
#
#   14 SER  HA           18 GLU  HN          7.00    (#   1182:10  Unique         4.02, 4.14 A)
 &rst
  ixpk= 1182, nxpk= 10, iat= 204, 254, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   18 GLU  HA           18 GLU  HN          4.50    (#   1183:10  Unique         2.81, 2.83 A)
 &rst
  ixpk= 1183, nxpk= 10, iat= 256, 254, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 ALA  HA           18 GLU  HN          5.50    (#   1184:10  Unique         3.55, 3.56 A)
 &rst
  ixpk= 1184, nxpk= 10, iat= 246, 254, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 PHE  HB+          18 GLU  HN          7.00    (#   1185:10  Unique         3.94, 4.33 A)
 &rst
  ixpk= 1185, nxpk= 10, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  75,  76,
 &end
#
#   18 GLU  HB+          18 GLU  HN          3.50    (#   1186:10  Unique         2.10, 2.50 A)
 &rst
  ixpk= 1186, nxpk= 10, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 258, 259,
 &end
#
#    0 AMB  10-2:1187    18 GLU  HN          4.50    (#   1187:10  Single Ambig)
 &rst
  ixpk= 1187, nxpk= 10, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 261, 262, 508,
 &end
#
#   18 GLU  HB-          18 GLU  HN          3.50    (#   1188:10  Unique         2.10, 2.50 A)
 &rst
  ixpk= 1188, nxpk= 10, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 258, 259,
 &end
#
#    0 AMB  10-2:1189    18 GLU  HN          5.50    (#   1189:10  Single Ambig)
 &rst
  ixpk= 1189, nxpk= 10, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 273, 274, 275, 514, 515, 516, 921,
 &end
#
#   17 ALA  MB           18 GLU  HN          4.50    (#   1190:10  Unique         2.60, 3.46 A)
 &rst
  ixpk= 1190, nxpk= 10, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 248, 249, 250,
 &end
#
#   86 GLN  HN           87 HIS  HN          5.50    (#   1192:10  Unique         2.60, 2.68 A)
 &rst
  ixpk= 1192, nxpk= 10, iat=1275,1292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   84 THR  HN           87 HIS  HN          5.50    (#   1193:10  Unique         3.19, 3.47 A)
 &rst
  ixpk= 1193, nxpk= 10, iat=1244,1292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87 HIS  HD2          87 HIS  HN          5.50    (#   1194:10  Unique         2.90, 4.56 A)
 &rst
  ixpk= 1194, nxpk= 10, iat=1305,1292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   84 THR  HB           87 HIS  HN          5.50    (#   1196:10  Unique         2.24, 3.59 A)
 &rst
  ixpk= 1196, nxpk= 10, iat=1248,1292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87 HIS  HA           87 HIS  HN          4.50    (#   1197:10  Unique         2.85, 2.86 A)
 &rst
  ixpk= 1197, nxpk= 10, iat=1294,1292, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 GLN  HA           87 HIS  HN          5.50    (#   1198:10  Unique         3.56, 3.58 A)
 &rst
  ixpk= 1198, nxpk= 10, iat=1277,1292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87 HIS  HB-          87 HIS  HN          4.50    (#   1199:10  Unique         2.36, 3.05 A)
 &rst
  ixpk= 1199, nxpk= 10, iat=  -1,1292, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1296,1297,
 &end
#
#   87 HIS  HB+          87 HIS  HN          4.50    (#   1200:10  Unique         2.36, 3.05 A)
 &rst
  ixpk= 1200, nxpk= 10, iat=  -1,1292, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1296,1297,
 &end
#
#   86 GLN  HG-          87 HIS  HN          7.00    (#   1201:10  Unique         3.65, 4.28 A)
 &rst
  ixpk= 1201, nxpk= 10, iat=  -1,1292, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1282,1283,
 &end
#
#   88 LYS  HB+          87 HIS  HN          7.00    (#   1202:10  Unique         4.63, 4.96 A)
 &rst
  ixpk= 1202, nxpk= 10, iat=  -1,1292, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1313,1314,
 &end
#
#   86 GLN  HB+          87 HIS  HN          4.50    (#   1203:10  Unique         2.61, 3.35 A)
 &rst
  ixpk= 1203, nxpk= 10, iat=  -1,1292, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1279,1280,
 &end
#
#   86 GLN  HB-          87 HIS  HN          4.50    (#   1204:10  Unique         2.61, 3.35 A)
 &rst
  ixpk= 1204, nxpk= 10, iat=  -1,1292, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1279,1280,
 &end
#
#    0 AMB  10-2:1205    87 HIS  HN          5.50    (#   1205:10  Single Ambig)
 &rst
  ixpk= 1205, nxpk= 10, iat=  -1,1292, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1221,1222,1223,1313,1314, 124, 125, 126,
 &end
#
#   84 THR  MG2          87 HIS  HN          5.50    (#   1206:10  Unique         4.11, 4.92 A)
 &rst
  ixpk= 1206, nxpk= 10, iat=  -1,1292, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1250,1251,1252,
 &end
#
#   90 ILE  QD1          87 HIS  HN          7.00    (#   1207:10  Unique         4.36, 5.34 A)
 &rst
  ixpk= 1207, nxpk= 10, iat=  -1,1292, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1361,1362,1363,
 &end
#
#  103 PHE  QD          102 VAL  HN          7.00    (#   1210:10  Unique         4.24, 5.75 A)
 &rst
  ixpk= 1210, nxpk= 10, iat=  -1,1554, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1578,1586,
 &end
#
#   99 ARG  HG-         102 VAL  HN          5.50    (#   1211:10  Unique         3.95, 4.76 A)
 &rst
  ixpk= 1211, nxpk= 10, iat=  -1,1554, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1503,1504,
 &end
#
#   91 ILE  QG2         102 VAL  HN          7.00    (#   1212:10  Unique         5.70, 6.56 A)
 &rst
  ixpk= 1212, nxpk= 10, iat=  -1,1554, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1373,1374,1375,
 &end
#
#  103 PHE  HN          102 VAL  HN          5.50    (#   1213:10  Unique         4.31, 4.48 A)
 &rst
  ixpk= 1213, nxpk= 10, iat=1570,1554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100 ASP  HN          102 VAL  HN          5.50    (#   1214:10  Unique         4.10, 4.22 A)
 &rst
  ixpk= 1214, nxpk= 10, iat=1520,1554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  101 LYS  HN          102 VAL  HN          3.50    (#   1215:10  Unique         2.47, 2.59 A)
 &rst
  ixpk= 1215, nxpk= 10, iat=1532,1554, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1216   102 VAL  HN          5.50    (#   1216:10  Single Ambig)
 &rst
  ixpk= 1216, nxpk= 10, iat=  -1,1554, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1580,1584,1496,
 &end
#
#  102 VAL  HA          102 VAL  HN          4.50    (#   1217:10  Unique         2.90, 2.93 A)
 &rst
  ixpk= 1217, nxpk= 10, iat=1556,1554, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  101 LYS  HA          102 VAL  HN          4.50    (#   1218:10  Unique         3.12, 3.38 A)
 &rst
  ixpk= 1218, nxpk= 10, iat=1534,1554, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 ASP  HA          102 VAL  HN          5.50    (#   1219:10  Unique         3.82, 3.94 A)
 &rst
  ixpk= 1219, nxpk= 10, iat=1522,1554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   99 ARG  HA          102 VAL  HN          5.50    (#   1220:10  Unique         2.97, 3.38 A)
 &rst
  ixpk= 1220, nxpk= 10, iat=1498,1554, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1221   102 VAL  HN          3.50    (#   1221:10  Single Ambig)
 &rst
  ixpk= 1221, nxpk= 10, iat=  -1,1554, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1558,1536,1537,
 &end
#
#  101 LYS  HB-         102 VAL  HN          5.50    (#   1222:10  Unique         3.21, 4.09 A)
 &rst
  ixpk= 1222, nxpk= 10, iat=  -1,1554, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1536,1537,
 &end
#
#  101 LYS  HG-         102 VAL  HN          5.50    (#   1223:10  Unique         3.65, 4.51 A)
 &rst
  ixpk= 1223, nxpk= 10, iat=  -1,1554, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1539,1540,
 &end
#
#  102 VAL  MG2         102 VAL  HN          3.50    (#   1224:10  Unique         2.25, 3.36 A)
 &rst
  ixpk= 1224, nxpk= 10, iat=  -1,1554, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1564,1565,1566,
 &end
#
#   80 VAL  MG1         102 VAL  HN          5.50    (#   1225:10  Unique         5.55, 6.19 A)
 &rst
  ixpk= 1225, nxpk= 10, iat=  -1,1554, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1188,1189,1190,
 &end
#
#    0 AMB  10-2:1226   102 VAL  HN          5.50    (#   1226:10  Single Ambig)
 &rst
  ixpk= 1226, nxpk= 10, iat=  -1,1554, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1192,1193,1194,1380,1381,1382,
 &end
#
#  135 GLU  HN          134 LEU  HN          5.50    (#   1228:10  Unique         2.71, 2.75 A)
 &rst
  ixpk= 1228, nxpk= 10, iat=2065,2046, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  134 LEU  HA          134 LEU  HN          4.50    (#   1229:10  Unique         2.81, 2.81 A)
 &rst
  ixpk= 1229, nxpk= 10, iat=2048,2046, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1230   134 LEU  HN          3.50    (#   1230:10  Single Ambig)
 &rst
  ixpk= 1230, nxpk= 10, iat=  -1,2046, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2035,2036,2038,2039,
 &end
#
#    0 AMB  10-2:1231   134 LEU  HN          3.50    (#   1231:10  Single Ambig)
 &rst
  ixpk= 1231, nxpk= 10, iat=  -1,2046, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2050,2051,2035,2036,
 &end
#
#    0 AMB  10-2:1232   134 LEU  HN          5.50    (#   1232:10  Single Ambig)
 &rst
  ixpk= 1232, nxpk= 10, iat=  -1,2046, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2038,2039,2099,2100,
 &end
#
#  134 LEU  HB-         134 LEU  HN          4.50    (#   1233:10  Unique         2.29, 2.45 A)
 &rst
  ixpk= 1233, nxpk= 10, iat=  -1,2046, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2050,2051,
 &end
#
#    0 AMB  10-2:1234     0 AMB  10-1:1234   4.50    (#   1234:10  Double Ambig)
 &rst
  ixpk= 1234, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2055,2056,2057,1564,1565,1566,
 igr2=2046,1520,
 &end
#
#  132 ASP  HN          134 LEU  HN          7.00    (#   1235:10  Unique         3.87, 3.94 A)
 &rst
  ixpk= 1235, nxpk= 10, iat=2019,2046, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  133 GLU  HN          134 LEU  HN          4.50    (#   1236:10  Unique         2.37, 2.43 A)
 &rst
  ixpk= 1236, nxpk= 10, iat=2031,2046, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1237   134 LEU  HN          5.50    (#   1237:10  Single Ambig)
 &rst
  ixpk= 1237, nxpk= 10, iat=  -1,2046, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2033,1767,
 &end
#
#    0 AMB  10-2:1239     0 AMB  10-1:1239   5.50    (#   1239:10  Double Ambig)
 &rst
  ixpk= 1239, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1=1987,1988,1989,2099,2100,1455,1456,
 igr2=2046,1520,
 &end
#
#   21 PHE  HN           22 LYS  HN          4.50    (#   1240:10  Unique         2.60, 2.65 A)
 &rst
  ixpk= 1240, nxpk= 10, iat= 298, 318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 ALA  HN           22 LYS  HN          7.00    (#   1241:10  Unique         4.58, 4.65 A)
 &rst
  ixpk= 1241, nxpk= 10, iat= 370, 318, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   21 PHE  QD           22 LYS  HN          7.00    (#   1242:10  Unique         4.06, 4.98 A)
 &rst
  ixpk= 1242, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 306, 314,
 &end
#
#   21 PHE  HA           22 LYS  HN          4.50    (#   1243:10  Unique         3.57, 3.57 A)
 &rst
  ixpk= 1243, nxpk= 10, iat= 300, 318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 ALA  HA           22 LYS  HN          4.50    (#   1244:10  Unique         3.42, 3.52 A)
 &rst
  ixpk= 1244, nxpk= 10, iat= 271, 318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 LEU  HA           22 LYS  HN          5.50    (#   1245:10  Unique         4.47, 4.51 A)
 &rst
  ixpk= 1245, nxpk= 10, iat= 281, 318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 LYS  HG+          22 LYS  HN          4.50    (#   1246:10  Unique         2.46, 3.17 A)
 &rst
  ixpk= 1246, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 325, 326,
 &end
#
#   25 ALA  MB           22 LYS  HN          7.00    (#   1247:10  Unique         5.11, 5.79 A)
 &rst
  ixpk= 1247, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 374, 375, 376,
 &end
#
#    0 AMB  10-2:1248    22 LYS  HN          5.50    (#   1248:10  Single Ambig)
 &rst
  ixpk= 1248, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 898, 899, 900, 484, 485, 486, 286, 357, 358, 359,
      
 &end
#
#    0 AMB  10-2:1251    83 MET  HN          7.00    (#   1251:10  Single Ambig)
 &rst
  ixpk= 1251, nxpk= 10, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 107,1309,
 &end
#
#   82 ALA  HA           83 MET  HN          4.50    (#   1252:10  Unique         2.15, 2.18 A)
 &rst
  ixpk= 1252, nxpk= 10, iat=1219,1227, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83 MET  HA           83 MET  HN          5.50    (#   1253:10  Unique         2.80, 2.84 A)
 &rst
  ixpk= 1253, nxpk= 10, iat=1229,1227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83 MET  HB+          83 MET  HN          3.50    (#   1254:10  Unique         2.25, 2.98 A)
 &rst
  ixpk= 1254, nxpk= 10, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1231,1232,
 &end
#
#    0 AMB  10-2:1255    83 MET  HN          4.50    (#   1255:10  Single Ambig)
 &rst
  ixpk= 1255, nxpk= 10, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1234,1235,1238,1239,1240,
 &end
#
#   83 MET  HG-          83 MET  HN          4.50    (#   1256:10  Unique         2.28, 3.45 A)
 &rst
  ixpk= 1256, nxpk= 10, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1234,1235,
 &end
#
#    0 AMB  10-2:1257    83 MET  HN          4.50    (#   1257:10  Single Ambig)
 &rst
  ixpk= 1257, nxpk= 10, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1221,1222,1223,1608,1609,
 &end
#
#   84 THR  MG2          83 MET  HN          7.00    (#   1258:10  Unique         4.90, 6.20 A)
 &rst
  ixpk= 1258, nxpk= 10, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1250,1251,1252,
 &end
#
#   85 HIS  HA           87 HIS  HN          7.00    (#   1261:10  Unique         4.03, 4.23 A)
 &rst
  ixpk= 1261, nxpk= 10, iat=1260,1292, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  131 ARG  HA          134 LEU  HN          5.50    (#   1263:10  Unique         3.26, 3.35 A)
 &rst
  ixpk= 1263, nxpk= 10, iat=1997,2046, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 GLU  HN           72 GLU  HN          4.50    (#   1264:10  Unique         2.80, 2.81 A)
 &rst
  ixpk= 1264, nxpk= 10, iat=1049,1064, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1265    72 GLU  HN          4.50    (#   1265:10  Single Ambig)
 &rst
  ixpk= 1265, nxpk= 10, iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1079,1098,
 &end
#
#   95 PHE  HD2          72 GLU  HN          7.00    (#   1266:10  Unique         6.46, 6.60 A)
 &rst
  ixpk= 1266, nxpk= 10, iat=1440,1064, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   70 THR  HN           72 GLU  HN          7.00    (#   1267:10  Unique         4.97, 5.02 A)
 &rst
  ixpk= 1267, nxpk= 10, iat=1035,1064, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   70 THR  HB           72 GLU  HN          3.50    (#   1270:10  Unique         3.31, 3.38 A)
 &rst
  ixpk= 1270, nxpk= 10, iat=1039,1064, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   72 GLU  HA           72 GLU  HN          3.50    (#   1271:10  Unique         2.84, 2.84 A)
 &rst
  ixpk= 1271, nxpk= 10, iat=1066,1064, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1272    72 GLU  HN          7.00    (#   1272:10  Single Ambig)
 &rst
  ixpk= 1272, nxpk= 10, iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1081,1134,1135,
 &end
#
#   71 GLU  HA           72 GLU  HN          5.50    (#   1273:10  Unique         3.53, 3.54 A)
 &rst
  ixpk= 1273, nxpk= 10, iat=1051,1064, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 GLU  HG+          72 GLU  HN          5.50    (#   1274:10  Unique         4.24, 4.65 A)
 &rst
  ixpk= 1274, nxpk= 10, iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1056,1057,
 &end
#
#   71 GLU  HG-          72 GLU  HN          7.00    (#   1275:10  Unique         4.24, 4.65 A)
 &rst
  ixpk= 1275, nxpk= 10, iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1056,1057,
 &end
#
#    0 AMB  10-2:1276    72 GLU  HN          3.50    (#   1276:10  Single Ambig)
 &rst
  ixpk= 1276, nxpk= 10, iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1071,1072,1053,1054,
 &end
#
#   71 GLU  HB-          72 GLU  HN          3.50    (#   1277:10  Unique         2.83, 3.42 A)
 &rst
  ixpk= 1277, nxpk= 10, iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1053,1054,
 &end
#
#   72 GLU  HB+          72 GLU  HN          3.50    (#   1278:10  Unique         2.62, 3.12 A)
 &rst
  ixpk= 1278, nxpk= 10, iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1068,1069,
 &end
#
#   72 GLU  HB-          72 GLU  HN          3.50    (#   1279:10  Unique         2.62, 3.12 A)
 &rst
  ixpk= 1279, nxpk= 10, iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1068,1069,
 &end
#
#   73 LEU  HB+          72 GLU  HN          5.50    (#   1280:10  Unique         4.82, 5.02 A)
 &rst
  ixpk= 1280, nxpk= 10, iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1083,1084,
 &end
#
#   70 THR  MG2          72 GLU  HN          5.50    (#   1281:10  Unique         5.58, 5.90 A)
 &rst
  ixpk= 1281, nxpk= 10, iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1041,1042,1043,
 &end
#
#    0 AMB  10-2:1282    72 GLU  HN          7.00    (#   1282:10  Single Ambig)
 &rst
  ixpk= 1282, nxpk= 10, iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1083,1084,1105,1106,
 &end
#
#   23 SER  HA           22 LYS  HN          5.50    (#   1285:10  Unique         5.29, 5.32 A)
 &rst
  ixpk= 1285, nxpk= 10, iat= 342, 318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 LEU  HA           22 LYS  HN          4.50    (#   1286:10  Unique         4.47, 4.51 A)
 &rst
  ixpk= 1286, nxpk= 10, iat= 281, 318, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 ASP  HN           99 ARG  HN          5.50    (#   1288:10  Unique         2.49, 2.61 A)
 &rst
  ixpk= 1288, nxpk= 10, iat=1520,1496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98 TYR  HN           99 ARG  HN          3.50    (#   1289:10  Unique         3.14, 3.23 A)
 &rst
  ixpk= 1289, nxpk= 10, iat=1475,1496, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  101 LYS  HN           99 ARG  HN          7.00    (#   1290:10  Unique         4.53, 4.82 A)
 &rst
  ixpk= 1290, nxpk= 10, iat=1532,1496, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   98 TYR  HA           99 ARG  HN          5.50    (#   1291:10  Unique         2.69, 2.85 A)
 &rst
  ixpk= 1291, nxpk= 10, iat=1477,1496, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100 ASP  HA           99 ARG  HN          7.00    (#   1293:10  Unique         4.88, 5.02 A)
 &rst
  ixpk= 1293, nxpk= 10, iat=1522,1496, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   89 GLN  HA           99 ARG  HN          7.00    (#   1294:10  Unique         6.95, 7.87 A)
 &rst
  ixpk= 1294, nxpk= 10, iat=1333,1496, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1295    99 ARG  HN          3.50    (#   1295:10  Single Ambig)
 &rst
  ixpk= 1295, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1498,1388,
 &end
#
#    0 AMB  10-2:1296    99 ARG  HN          5.50    (#   1296:10  Single Ambig)
 &rst
  ixpk= 1296, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1506,1507,1428,1429,
 &end
#
#   98 TYR  HB+          99 ARG  HN          5.50    (#   1297:10  Unique         4.10, 4.38 A)
 &rst
  ixpk= 1297, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1479,1480,
 &end
#
#   99 ARG  HB+          99 ARG  HN          3.50    (#   1298:10  Unique         2.32, 2.60 A)
 &rst
  ixpk= 1298, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1500,1501,
 &end
#
#   99 ARG  HB-          99 ARG  HN          3.50    (#   1299:10  Unique         2.32, 2.60 A)
 &rst
  ixpk= 1299, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1500,1501,
 &end
#
#   99 ARG  HG+          99 ARG  HN          4.50    (#   1300:10  Unique         1.99, 4.10 A)
 &rst
  ixpk= 1300, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1503,1504,
 &end
#
#   99 ARG  HG-          99 ARG  HN          4.50    (#   1301:10  Unique         1.99, 4.10 A)
 &rst
  ixpk= 1301, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1503,1504,
 &end
#
#   92 ALA  MB           99 ARG  HN          5.50    (#   1302:10  Unique         3.56, 4.95 A)
 &rst
  ixpk= 1302, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1390,1391,1392,
 &end
#
#  102 VAL  MG2          99 ARG  HN          5.50    (#   1303:10  Unique         4.85, 5.74 A)
 &rst
  ixpk= 1303, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1564,1565,1566,
 &end
#
#   98 TYR  QD           99 ARG  HN          5.50    (#   1308:10  Unique         4.46, 5.65 A)
 &rst
  ixpk= 1308, nxpk= 10, iat=  -1,1496, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1483,1492,
 &end
#
#   17 ALA  HA           20 LEU  HN          5.50    (#   1309:10  Unique         3.43, 3.49 A)
 &rst
  ixpk= 1309, nxpk= 10, iat= 246, 279, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 PHE  HN           20 LEU  HN          5.50    (#   1310:10  Unique         2.59, 2.62 A)
 &rst
  ixpk= 1310, nxpk= 10, iat= 298, 279, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 ALA  HN           20 LEU  HN          5.50    (#   1311:10  Unique         2.58, 2.63 A)
 &rst
  ixpk= 1311, nxpk= 10, iat= 269, 279, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 ALA  HA           20 LEU  HN          5.50    (#   1312:10  Unique         3.51, 3.53 A)
 &rst
  ixpk= 1312, nxpk= 10, iat= 271, 279, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   20 LEU  HA           20 LEU  HN          4.50    (#   1313:10  Unique         2.86, 2.87 A)
 &rst
  ixpk= 1313, nxpk= 10, iat= 281, 279, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1314    20 LEU  HN          7.00    (#   1314:10  Single Ambig)
 &rst
  ixpk= 1314, nxpk= 10, iat=  -1, 279, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 302, 303, 331, 332,
 &end
#
#   20 LEU  HB+          20 LEU  HN          3.50    (#   1315:10  Unique         2.14, 2.67 A)
 &rst
  ixpk= 1315, nxpk= 10, iat=  -1, 279, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 283, 284,
 &end
#
#    0 AMB  10-2:1316    20 LEU  HN          5.50    (#   1316:10  Single Ambig)
 &rst
  ixpk= 1316, nxpk= 10, iat=  -1, 279, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 328, 329, 325, 326,1999,2000,
 &end
#
#   19 ALA  MB           20 LEU  HN          4.50    (#   1317:10  Unique         2.61, 3.44 A)
 &rst
  ixpk= 1317, nxpk= 10, iat=  -1, 279, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 273, 274, 275,
 &end
#
#   20 LEU  HB-          20 LEU  HN          4.50    (#   1318:10  Unique         2.14, 2.67 A)
 &rst
  ixpk= 1318, nxpk= 10, iat=  -1, 279, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 283, 284,
 &end
#
#   20 LEU  HG           20 LEU  HN          4.50    (#   1319:10  Unique         2.64, 3.84 A)
 &rst
  ixpk= 1319, nxpk= 10, iat= 286, 279, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92 ALA  HN           89 GLN  HN          7.00    (#   1321:10  Unique         4.69, 4.74 A)
 &rst
  ixpk= 1321, nxpk= 10, iat=1386,1331, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   90 ILE  HN           89 GLN  HN          4.50    (#   1322:10  Unique         2.70, 2.73 A)
 &rst
  ixpk= 1322, nxpk= 10, iat=1348,1331, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88 LYS  HN           89 GLN  HN          4.50    (#   1323:10  Unique         2.77, 2.81 A)
 &rst
  ixpk= 1323, nxpk= 10, iat=1309,1331, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 GLN  HA           89 GLN  HN          5.50    (#   1324:10  Unique         3.23, 3.32 A)
 &rst
  ixpk= 1324, nxpk= 10, iat=1277,1331, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   89 GLN  HA           89 GLN  HN          4.50    (#   1325:10  Unique         2.85, 2.85 A)
 &rst
  ixpk= 1325, nxpk= 10, iat=1333,1331, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88 LYS  HA           89 GLN  HN          5.50    (#   1326:10  Unique         3.55, 3.56 A)
 &rst
  ixpk= 1326, nxpk= 10, iat=1311,1331, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   89 GLN  HG+          89 GLN  HN          4.50    (#   1327:10  Unique         2.38, 3.16 A)
 &rst
  ixpk= 1327, nxpk= 10, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1338,1339,
 &end
#
#   89 GLN  HG-          89 GLN  HN          4.50    (#   1328:10  Unique         2.38, 3.16 A)
 &rst
  ixpk= 1328, nxpk= 10, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1338,1339,
 &end
#
#   89 GLN  HB-          89 GLN  HN          3.50    (#   1329:10  Unique         2.34, 2.99 A)
 &rst
  ixpk= 1329, nxpk= 10, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1335,1336,
 &end
#
#    0 AMB  10-2:1330    89 GLN  HN          5.50    (#   1330:10  Single Ambig)
 &rst
  ixpk= 1330, nxpk= 10, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1358,1359,1352,1279,1280,1377,1378,
 &end
#
#   88 LYS  QD           89 GLN  HN          5.50    (#   1331:10  Unique         4.35, 5.47 A)
 &rst
  ixpk= 1331, nxpk= 10, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1319,1320,
 &end
#
#   88 LYS  HB-          89 GLN  HN          4.50    (#   1332:10  Unique         2.55, 3.32 A)
 &rst
  ixpk= 1332, nxpk= 10, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1313,1314,
 &end
#
#    0 AMB  10-2:1333    89 GLN  HN          5.50    (#   1333:10  Single Ambig)
 &rst
  ixpk= 1333, nxpk= 10, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1358,1359,1377,1378,
 &end
#
#  104 THR  MG2          89 GLN  HN          7.00    (#   1334:10  Unique         6.30, 7.31 A)
 &rst
  ixpk= 1334, nxpk= 10, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1596,1597,1598,
 &end
#
#   85 HIS  HA           89 GLN  HN          5.50    (#   1335:10  Unique         3.89, 4.01 A)
 &rst
  ixpk= 1335, nxpk= 10, iat=1260,1331, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  135 GLU  HN          136 GLU  HN          5.50    (#   1338:10  Unique         2.66, 2.70 A)
 &rst
  ixpk= 1338, nxpk= 10, iat=2065,2080, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  138 LEU  HN          136 GLU  HN          5.50    (#   1339:10  Unique         4.08, 4.12 A)
 &rst
  ixpk= 1339, nxpk= 10, iat=2114,2080, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1340   136 GLU  HN          3.50    (#   1340:10  Single Ambig)
 &rst
  ixpk= 1340, nxpk= 10, iat=  -1,2080, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2082,2033,
 &end
#
#  134 LEU  HA          136 GLU  HN          7.00    (#   1341:10  Unique         4.41, 4.43 A)
 &rst
  ixpk= 1341, nxpk= 10, iat=2048,2080, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  135 GLU  HA          136 GLU  HN          5.50    (#   1342:10  Unique         3.56, 3.57 A)
 &rst
  ixpk= 1342, nxpk= 10, iat=2067,2080, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1343   136 GLU  HN          3.50    (#   1343:10  Single Ambig)
 &rst
  ixpk= 1343, nxpk= 10, iat=  -1,2080, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2069,2070,2072,2073,
 &end
#
#  136 GLU  HG-         136 GLU  HN          4.50    (#   1344:10  Unique         2.60, 4.25 A)
 &rst
  ixpk= 1344, nxpk= 10, iat=  -1,2080, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2087,2088,
 &end
#
#    0 AMB  10-2:1345   136 GLU  HN          5.50    (#   1345:10  Single Ambig)
 &rst
  ixpk= 1345, nxpk= 10, iat=  -1,2080, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 288, 289, 290, 286,
 &end
#
#    0 AMB  10-2:1346     0 AMB  10-1:1346   5.50    (#   1346:10  Double Ambig)
 &rst
  ixpk= 1346, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 726,2021,
 igr2= 751,2080,
 &end
#
#    0 AMB  10-2:1347     0 AMB  10-1:1347   3.50    (#   1347:10  Double Ambig)
 &rst
  ixpk= 1347, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 755,2087,2088,
 igr2= 751,2080,
 &end
#
#    0 AMB  10-2:1348     0 AMB  10-1:1348   5.50    (#   1348:10  Double Ambig)
 &rst
  ixpk= 1348, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 918, 919,2099,2100,
 igr2= 751,2080,
 &end
#
#    0 AMB  10-2:1349    52 VAL  HN          4.50    (#   1349:10  Single Ambig)
 &rst
  ixpk= 1349, nxpk= 10, iat=  -1, 751, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 767, 782,
 &end
#
#   51 ALA  HN           52 VAL  HN          4.50    (#   1350:10  Unique         2.61, 2.63 A)
 &rst
  ixpk= 1350, nxpk= 10, iat= 741, 751, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 ALA  MB           52 VAL  HN          4.50    (#   1351:10  Unique         2.40, 3.25 A)
 &rst
  ixpk= 1351, nxpk= 10, iat=  -1, 751, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 745, 746, 747,
 &end
#
#    0 AMB  10-2:1352     0 AMB  10-1:1352   5.50    (#   1352:10  Double Ambig)
 &rst
  ixpk= 1352, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 702, 703, 704, 786, 787, 788, 445, 446,
 igr2= 751, 380,
 &end
#
#    0 AMB  10-2:1353    52 VAL  HN          3.50    (#   1353:10  Single Ambig)
 &rst
  ixpk= 1353, nxpk= 10, iat=  -1, 751, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 757, 758, 759, 761, 762, 763,
 &end
#
#   52 VAL  HA           52 VAL  HN          5.50    (#   1355:10  Unique         2.80, 2.81 A)
 &rst
  ixpk= 1355, nxpk= 10, iat= 753, 751, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  102 VAL  MG2          89 GLN  HN          7.00    (#   1356:10  Unique         6.07, 7.57 A)
 &rst
  ixpk= 1356, nxpk= 10, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1564,1565,1566,
 &end
#
#    0 AMB  10-2:1361    26 GLU  HN          7.00    (#   1361:10  Single Ambig)
 &rst
  ixpk= 1361, nxpk= 10, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 445, 446,2197,2198,2199, 448,
 &end
#
#    0 AMB  10-2:1362     0 AMB  10-1:1362   3.50    (#   1362:10  Double Ambig)
 &rst
  ixpk= 1362, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=2084,2085, 384, 385,
 igr2=2080, 380,
 &end
#
#    0 AMB  10-2:1363     0 AMB  10-1:1363   5.50    (#   1363:10  Double Ambig)
 &rst
  ixpk= 1363, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 402, 403, 325, 326,1999,2000,
 igr2= 380,2080,
 &end
#
#   47 ALA  MB           52 VAL  HN          5.50    (#   1365:10  Unique         3.26, 4.30 A)
 &rst
  ixpk= 1365, nxpk= 10, iat=  -1, 751, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 690, 691, 692,
 &end
#
#   25 ALA  HN           26 GLU  HN          4.50    (#   1366:10  Unique         2.66, 2.69 A)
 &rst
  ixpk= 1366, nxpk= 10, iat= 370, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 SER  HA           26 GLU  HN          5.50    (#   1367:10  Unique         3.43, 3.47 A)
 &rst
  ixpk= 1367, nxpk= 10, iat= 342, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 GLU  HA           26 GLU  HN          3.50    (#   1368:10  Unique         2.83, 2.84 A)
 &rst
  ixpk= 1368, nxpk= 10, iat= 382, 380, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 LYS  HA           26 GLU  HN          7.00    (#   1369:10  Unique         3.92, 4.01 A)
 &rst
  ixpk= 1369, nxpk= 10, iat= 320, 380, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1370    26 GLU  HN          4.50    (#   1370:10  Single Ambig)
 &rst
  ixpk= 1370, nxpk= 10, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 372, 353,
 &end
#
#   25 ALA  MB           26 GLU  HN          3.50    (#   1371:10  Unique         2.65, 3.48 A)
 &rst
  ixpk= 1371, nxpk= 10, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 374, 375, 376,
 &end
#
#   14 SER  HA           14 SER  HN          7.00    (#   1372:10  Unique         2.64, 2.71 A)
 &rst
  ixpk= 1372, nxpk= 10, iat= 204, 202, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   15 PRO  HD-          14 SER  HN          7.00    (#   1373:10  Unique         2.65, 3.13 A)
 &rst
  ixpk= 1373, nxpk= 10, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 214, 215,
 &end
#
#   14 SER  HB+          14 SER  HN          7.00    (#   1374:10  Unique         2.52, 3.12 A)
 &rst
  ixpk= 1374, nxpk= 10, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 206, 207,
 &end
#
#   14 SER  HA           14 SER  HN          7.00    (#   1376:10  Unique         2.64, 2.71 A)
 &rst
  ixpk= 1376, nxpk= 10, iat= 204, 202, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   95 PHE  HA           98 TYR  HN          7.00    (#   1377:10  Unique         4.73, 4.92 A)
 &rst
  ixpk= 1377, nxpk= 10, iat=1426,1475, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   99 ARG  HB-          98 TYR  HN          5.50    (#   1378:10  Unique         4.29, 5.06 A)
 &rst
  ixpk= 1378, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1500,1501,
 &end
#
#  100 ASP  HN           98 TYR  HN          7.00    (#   1379:10  Unique         5.16, 5.32 A)
 &rst
  ixpk= 1379, nxpk= 10, iat=1520,1475, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   97 ARG  HN           98 TYR  HN          3.40    (#   1380:10  Unique         2.78, 2.94 A)
 &rst
  ixpk= 1380, nxpk= 10, iat=1451,1475, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   96 GLY  HN           98 TYR  HN          7.00    (#   1381:10  Unique         3.68, 4.10 A)
 &rst
  ixpk= 1381, nxpk= 10, iat=1444,1475, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   99 ARG  HN           98 TYR  HN          3.50    (#   1382:10  Unique         3.14, 3.23 A)
 &rst
  ixpk= 1382, nxpk= 10, iat=1496,1475, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   98 TYR  QD           98 TYR  HN          4.50    (#   1383:10  Unique         2.85, 3.83 A)
 &rst
  ixpk= 1383, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1483,1492,
 &end
#
#   98 TYR  HA           98 TYR  HN          4.50    (#   1384:10  Unique         2.88, 2.94 A)
 &rst
  ixpk= 1384, nxpk= 10, iat=1477,1475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97 ARG  HA           98 TYR  HN          4.50    (#   1386:10  Unique         2.68, 2.78 A)
 &rst
  ixpk= 1386, nxpk= 10, iat=1453,1475, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1387    98 TYR  HN          5.50    (#   1387:10  Single Ambig)
 &rst
  ixpk= 1387, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1388,1498,
 &end
#
#    0 AMB  10-2:1388    98 TYR  HN          4.50    (#   1388:10  Single Ambig)
 &rst
  ixpk= 1388, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1479,1480,1428,1429,
 &end
#
#   95 PHE  HB-          98 TYR  HN          5.50    (#   1389:10  Unique         2.79, 3.13 A)
 &rst
  ixpk= 1389, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1428,1429,
 &end
#
#   98 TYR  HB+          98 TYR  HN          4.50    (#   1390:10  Unique         2.40, 3.03 A)
 &rst
  ixpk= 1390, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1479,1480,
 &end
#
#    0 AMB  10-2:1391    98 TYR  HN          7.00    (#   1391:10  Single Ambig)
 &rst
  ixpk= 1391, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1503,1504,1371,
 &end
#
#    0 AMB  10-2:1392    98 TYR  HN          5.50    (#   1392:10  Single Ambig)
 &rst
  ixpk= 1392, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1109,1110,1111,1503,1504,
 &end
#
#   97 ARG  HB+          98 TYR  HN          5.50    (#   1393:10  Unique         4.17, 4.51 A)
 &rst
  ixpk= 1393, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1455,1456,
 &end
#
#   97 ARG  HG+          98 TYR  HN          5.50    (#   1394:10  Unique         4.71, 5.03 A)
 &rst
  ixpk= 1394, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1458,1459,
 &end
#
#    0 AMB  10-2:1395    98 TYR  HN          5.50    (#   1395:10  Single Ambig)
 &rst
  ixpk= 1395, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1458,1459,1373,1374,1375,
 &end
#
#   15 PRO  HD+          14 SER  HN          7.00    (#   1397:10  Unique         2.65, 3.13 A)
 &rst
  ixpk= 1397, nxpk= 10, iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 214, 215,
 &end
#
#   66 SER  HN           67 SER  HN          7.00    (#   1398:10  Unique         4.62, 4.63 A)
 &rst
  ixpk= 1398, nxpk= 10, iat= 980, 991, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   67 SER  HA           67 SER  HN          5.50    (#   1399:10  Unique         2.87, 2.90 A)
 &rst
  ixpk= 1399, nxpk= 10, iat= 993, 991, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   66 SER  HA           67 SER  HN          3.50    (#   1401:10  Unique         2.35, 2.40 A)
 &rst
  ixpk= 1401, nxpk= 10, iat= 982, 991, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 SER  HB+          67 SER  HN          4.50    (#   1402:10  Unique         2.76, 3.40 A)
 &rst
  ixpk= 1402, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 995, 996,
 &end
#
#   67 SER  HB-          67 SER  HN          4.50    (#   1403:10  Unique         2.76, 3.40 A)
 &rst
  ixpk= 1403, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 995, 996,
 &end
#
#   66 SER  HB-          67 SER  HN          5.50    (#   1404:10  Unique         2.38, 3.07 A)
 &rst
  ixpk= 1404, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 984, 985,
 &end
#
#    0 AMB  10-2:1405    67 SER  HN          7.00    (#   1405:10  Single Ambig)
 &rst
  ixpk= 1405, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1003,1004, 214, 215,
 &end
#
#   10 ASN  HB+          67 SER  HN          5.50    (#   1406:10  Unique         3.64, 3.93 A)
 &rst
  ixpk= 1406, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 143, 144,
 &end
#
#   37 ALA  HA           67 SER  HN          5.50    (#   1407:10  Unique         2.97, 3.28 A)
 &rst
  ixpk= 1407, nxpk= 10, iat= 557, 991, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1408    67 SER  HN          5.50    (#   1408:10  Single Ambig)
 &rst
  ixpk= 1408, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 612, 613, 614, 559, 560, 561,
 &end
#
#   66 SER  HN           67 SER  HN          7.00    (#   1409:10  Unique         4.62, 4.63 A)
 &rst
  ixpk= 1409, nxpk= 10, iat= 980, 991, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   10 ASN  HB-          67 SER  HN          7.00    (#   1411:10  Unique         3.64, 3.93 A)
 &rst
  ixpk= 1411, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 143, 144,
 &end
#
#   49 PRO  QG           48 THR  HN          7.00    (#   1412:10  Unique         6.41, 6.94 A)
 &rst
  ixpk= 1412, nxpk= 10, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 714, 715,
 &end
#
#    0 AMB  10-2:1414    48 THR  HN          5.50    (#   1414:10  Single Ambig)
 &rst
  ixpk= 1414, nxpk= 10, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 157, 720,
 &end
#
#    0 AMB  10-2:1415    48 THR  HN          5.50    (#   1415:10  Single Ambig)
 &rst
  ixpk= 1415, nxpk= 10, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 155, 726,
 &end
#
#    0 AMB  10-2:1416    48 THR  HN          4.50    (#   1416:10  Single Ambig)
 &rst
  ixpk= 1416, nxpk= 10, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 698, 700,
 &end
#
#   49 PRO  HD3          48 THR  HN          7.00    (#   1417:10  Unique         4.87, 4.92 A)
 &rst
  ixpk= 1417, nxpk= 10, iat= 712, 696, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   51 ALA  MB           48 THR  HN          5.50    (#   1418:10  Unique         2.42, 3.38 A)
 &rst
  ixpk= 1418, nxpk= 10, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 745, 746, 747,
 &end
#
#   48 THR  MG2          48 THR  HN          4.50    (#   1419:10  Unique         2.00, 3.04 A)
 &rst
  ixpk= 1419, nxpk= 10, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 702, 703, 704,
 &end
#
#   47 ALA  MB           48 THR  HN          4.50    (#   1420:10  Unique         1.97, 3.52 A)
 &rst
  ixpk= 1420, nxpk= 10, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 690, 691, 692,
 &end
#
#    0 AMB  10-2:1421    48 THR  HN          5.50    (#   1421:10  Single Ambig)
 &rst
  ixpk= 1421, nxpk= 10, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 159, 160, 161, 761, 762, 763,
 &end
#
#  107 GLU  HB-         112 SER  HN          5.50    (#   1431:10  Unique         4.23, 5.03 A)
 &rst
  ixpk= 1431, nxpk= 10, iat=  -1,1718, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1649,1650,
 &end
#
#  106 LYS  HB+         112 SER  HN          4.50    (#   1432:10  Unique         3.38, 4.25 A)
 &rst
  ixpk= 1432, nxpk= 10, iat=  -1,1718, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1627,1628,
 &end
#
#   44 ASN  HB+          44 ASN  HN          4.00    (#   1434:10  Unique         2.92, 3.31 A)
 &rst
  ixpk= 1434, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 647, 648,
 &end
#
#    0 AMB  10-2:1436    44 ASN  HN          2.80    (#   1436:10  Single Ambig)
 &rst
  ixpk= 1436, nxpk= 10, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 645, 639,
 &end
#
#  110 THR  HN          112 SER  HN          3.80    (#   1440:10  Unique         3.52, 3.72 A)
 &rst
  ixpk= 1440, nxpk= 10, iat=1697,1718, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  107 GLU  HA          112 SER  HN          2.60    (#   1442:10  Unique         2.33, 2.53 A)
 &rst
  ixpk= 1442, nxpk= 10, iat=1647,1718, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#  112 SER  HB+         112 SER  HN          3.80    (#   1443:10  Unique         2.52, 3.27 A)
 &rst
  ixpk= 1443, nxpk= 10, iat=  -1,1718, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1722,1723,
 &end
#
#  112 SER  HB-         112 SER  HN          3.50    (#   1444:10  Unique         2.52, 3.27 A)
 &rst
  ixpk= 1444, nxpk= 10, iat=  -1,1718, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1722,1723,
 &end
#
#    0 AMB  10-2:1445   112 SER  HN          5.50    (#   1445:10  Single Ambig)
 &rst
  ixpk= 1445, nxpk= 10, iat=  -1,1718, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1703,1704,1705,1630,1631,
 &end
#
#  111 GLY  HN          112 SER  HN          2.80    (#   1446:10  Unique         2.53, 2.76 A)
 &rst
  ixpk= 1446, nxpk= 10, iat=1711,1718, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  10-2:1447   112 SER  HN          3.50    (#   1447:10  Single Ambig)
 &rst
  ixpk= 1447, nxpk= 10, iat=  -1,1718, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1720,1699,
 &end
#
#  110 THR  HB          112 SER  HN          3.80    (#   1448:10  Unique         3.37, 3.93 A)
 &rst
  ixpk= 1448, nxpk= 10, iat=1701,1718, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  107 GLU  HB+         112 SER  HN          5.50    (#   1450:10  Unique         4.23, 5.03 A)
 &rst
  ixpk= 1450, nxpk= 10, iat=  -1,1718, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1649,1650,
 &end
#
#   98 TYR  QD          101 LYS  HN          7.00    (#   1453:10  Unique         6.60, 7.17 A)
 &rst
  ixpk= 1453, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1483,1492,
 &end
#
#  101 LYS  HE+         101 LYS  HN          7.00    (#   1454:10  Unique         4.27, 4.75 A)
 &rst
  ixpk= 1454, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1545,1546,
 &end
#
#  100 ASP  HN          101 LYS  HN          4.50    (#   1455:10  Unique         2.84, 2.92 A)
 &rst
  ixpk= 1455, nxpk= 10, iat=1520,1532, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1456   101 LYS  HN          5.50    (#   1456:10  Single Ambig)
 &rst
  ixpk= 1456, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1496,1580,1584,
 &end
#
#  102 VAL  HN          101 LYS  HN          3.50    (#   1457:10  Unique         2.47, 2.59 A)
 &rst
  ixpk= 1457, nxpk= 10, iat=1554,1532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   98 TYR  HA          101 LYS  HN          5.50    (#   1458:10  Unique         4.41, 4.89 A)
 &rst
  ixpk= 1458, nxpk= 10, iat=1477,1532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  101 LYS  HA          101 LYS  HN          4.50    (#   1459:10  Unique         2.89, 2.93 A)
 &rst
  ixpk= 1459, nxpk= 10, iat=1534,1532, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 ASP  HA          101 LYS  HN          5.50    (#   1460:10  Unique         3.52, 3.57 A)
 &rst
  ixpk= 1460, nxpk= 10, iat=1522,1532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   99 ARG  HA          101 LYS  HN          5.50    (#   1461:10  Unique         3.67, 3.90 A)
 &rst
  ixpk= 1461, nxpk= 10, iat=1498,1532, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100 ASP  HB+         101 LYS  HN          5.50    (#   1462:10  Unique         2.79, 3.50 A)
 &rst
  ixpk= 1462, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1524,1525,
 &end
#
#  100 ASP  HB-         101 LYS  HN          5.50    (#   1463:10  Unique         2.79, 3.50 A)
 &rst
  ixpk= 1463, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1524,1525,
 &end
#
#  101 LYS  HB+         101 LYS  HN          3.50    (#   1464:10  Unique         2.28, 3.14 A)
 &rst
  ixpk= 1464, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1536,1537,
 &end
#
#  101 LYS  HG+         101 LYS  HN          3.80    (#   1465:10  Unique         2.17, 2.95 A)
 &rst
  ixpk= 1465, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1=1539,1540,
 &end
#
#  102 VAL  MG2         101 LYS  HN          4.50    (#   1466:10  Unique         3.57, 4.85 A)
 &rst
  ixpk= 1466, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1564,1565,1566,
 &end
#
#   80 VAL  MG2         101 LYS  HN          7.00    (#   1467:10  Unique         5.19, 6.21 A)
 &rst
  ixpk= 1467, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1192,1193,1194,
 &end
#
#    0 AMB  10-2:1469    74 MET  HN          7.00    (#   1469:10  Single Ambig)
 &rst
  ixpk= 1469, nxpk= 10, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1081,1134,1135,
 &end
#
#    0 AMB  10-2:1470    74 MET  HN          5.50    (#   1470:10  Single Ambig)
 &rst
  ixpk= 1470, nxpk= 10, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1119,1120,1068,1069,
 &end
#
#   69 LEU  MD1          74 MET  HN          5.50    (#   1471:10  Unique         3.31, 3.99 A)
 &rst
  ixpk= 1471, nxpk= 10, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1025,1026,1027,
 &end
#
#   72 GLU  HN           74 MET  HN          7.00    (#   1472:10  Unique         4.00, 4.05 A)
 &rst
  ixpk= 1472, nxpk= 10, iat=1064,1098, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   75 GLU  HN           74 MET  HN          5.50    (#   1473:10  Unique         2.75, 2.79 A)
 &rst
  ixpk= 1473, nxpk= 10, iat=1115,1098, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 THR  HN           74 MET  HN          7.00    (#   1474:10  Unique         3.94, 4.07 A)
 &rst
  ixpk= 1474, nxpk= 10, iat=1035,1098, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   72 GLU  HA           74 MET  HN          7.00    (#   1475:10  Unique         4.40, 4.42 A)
 &rst
  ixpk= 1475, nxpk= 10, iat=1066,1098, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   74 MET  HA           74 MET  HN          4.50    (#   1476:10  Unique         2.81, 2.82 A)
 &rst
  ixpk= 1476, nxpk= 10, iat=1100,1098, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 GLU  HA           74 MET  HN          5.50    (#   1477:10  Unique         3.18, 3.22 A)
 &rst
  ixpk= 1477, nxpk= 10, iat=1051,1098, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1478    74 MET  HN          7.00    (#   1478:10  Single Ambig)
 &rst
  ixpk= 1478, nxpk= 10, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1117,1428,1429,
 &end
#
#   75 GLU  HB-          74 MET  HN          7.00    (#   1479:10  Unique         4.79, 5.58 A)
 &rst
  ixpk= 1479, nxpk= 10, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1119,1120,
 &end
#
#    0 AMB  10-2:1480    74 MET  HN          3.50    (#   1480:10  Single Ambig)
 &rst
  ixpk= 1480, nxpk= 10, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1083,1084,1105,1106,
 &end
#
#    0 AMB  10-2:1481    74 MET  HN          4.50    (#   1481:10  Single Ambig)
 &rst
  ixpk= 1481, nxpk= 10, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1083,1084,1105,1106,
 &end
#
#   74 MET  HB+          74 MET  HN          4.50    (#   1482:10  Unique         2.03, 2.61 A)
 &rst
  ixpk= 1482, nxpk= 10, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1102,1103,
 &end
#
#    0 AMB  10-2:1483    74 MET  HN          5.50    (#   1483:10  Single Ambig)
 &rst
  ixpk= 1483, nxpk= 10, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1092,1093,1094,1020,1021,
 &end
#
#   29 GLY  HN           28 GLU  HN          4.50    (#   1484:10  Unique         2.52, 2.57 A)
 &rst
  ixpk= 1484, nxpk= 10, iat= 434, 419, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  101 LYS  HE-         101 LYS  HN          7.00    (#   1485:10  Unique         4.27, 4.75 A)
 &rst
  ixpk= 1485, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1545,1546,
 &end
#
#   98 TYR  HB-         101 LYS  HN          7.00    (#   1487:10  Unique         4.26, 5.20 A)
 &rst
  ixpk= 1487, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1479,1480,
 &end
#
#  101 LYS  HB-         101 LYS  HN          4.50    (#   1488:10  Unique         2.28, 3.14 A)
 &rst
  ixpk= 1488, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1536,1537,
 &end
#
#  101 LYS  HG-         101 LYS  HN          4.50    (#   1489:10  Unique         2.17, 2.95 A)
 &rst
  ixpk= 1489, nxpk= 10, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1539,1540,
 &end
#
#   27 ARG  HN           28 GLU  HN          3.50    (#   1490:10  Unique         2.57, 2.65 A)
 &rst
  ixpk= 1490, nxpk= 10, iat= 395, 419, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 GLU  HA           28 GLU  HN          4.50    (#   1491:10  Unique         2.88, 2.90 A)
 &rst
  ixpk= 1491, nxpk= 10, iat= 421, 419, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1492    28 GLU  HN          4.50    (#   1492:10  Single Ambig)
 &rst
  ixpk= 1492, nxpk= 10, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 397, 382,
 &end
#
#    0 AMB  10-2:1495    28 GLU  HN          5.50    (#   1495:10  Single Ambig)
 &rst
  ixpk= 1495, nxpk= 10, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 372, 353,
 &end
#
#   28 GLU  HG+          28 GLU  HN          4.50    (#   1496:10  Unique         2.50, 3.59 A)
 &rst
  ixpk= 1496, nxpk= 10, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 426, 427,
 &end
#
#    0 AMB  10-2:1497    28 GLU  HN          3.50    (#   1497:10  Single Ambig)
 &rst
  ixpk= 1497, nxpk= 10, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 423, 424, 426, 427,
 &end
#
#   27 ARG  HB+          28 GLU  HN          3.50    (#   1498:10  Unique         2.55, 3.46 A)
 &rst
  ixpk= 1498, nxpk= 10, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 399, 400,
 &end
#
#    0 AMB  10-2:1499    28 GLU  HN          3.50    (#   1499:10  Single Ambig)
 &rst
  ixpk= 1499, nxpk= 10, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 423, 424, 402, 403,
 &end
#
#    0 AMB  10-2:1500    28 GLU  HN          5.50    (#   1500:10  Single Ambig)
 &rst
  ixpk= 1500, nxpk= 10, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 445, 446,2197,2198,2199, 448,
 &end
#
#    0 AMB  10-2:1501    28 GLU  HN          5.50    (#   1501:10  Single Ambig)
 &rst
  ixpk= 1501, nxpk= 10, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 357, 358, 359, 450, 451, 452,
 &end
#
#    0 AMB  10-2:1502     0 AMB  10-1:1502   5.50    (#   1502:10  Double Ambig)
 &rst
  ixpk= 1502, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1134,1135,1134,1135,
 igr2= 499, 500, 499, 500,
 &end
#
#   35 ARG  HB+          33 ASN  HD2+        5.50    (#   1503:10  Unique         2.61, 5.48 A)
 &rst
  ixpk= 1503, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 524, 525,
 igr2= 499, 500,
 &end
#
#   77 ALA  MB           33 ASN  HD2+        7.00    (#   1504:10  Unique         5.34, 7.08 A)
 &rst
  ixpk= 1504, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1145,1146,1147,
 igr2= 499, 500,
 &end
#
#   33 ASN  HN           33 ASN  HD2+        5.50    (#   1506:10  Unique         4.57, 5.34 A)
 &rst
  ixpk= 1506, nxpk= 10, iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 499, 500,
 &end
#
#    2 ASP  HA           33 ASN  HD2+        7.00    (#   1508:10  Unique         3.57, 4.73 A)
 &rst
  ixpk= 1508, nxpk= 10, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 499, 500,
 &end
#
#    0 AMB  10-2:1509     0 AMB  10-1:1509   5.50    (#   1509:10  Double Ambig)
 &rst
  ixpk= 1509, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 506, 492,
 igr2= 499, 500, 499, 500,
 &end
#
#   33 ASN  HB+          33 ASN  HD2+        3.50    (#   1511:10  Unique         2.22, 3.31 A)
 &rst
  ixpk= 1511, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 494, 495,
 igr2= 499, 500,
 &end
#
#  142 ALA  HN          143 LYS  HN          4.50    (#   1512:10  Unique         2.63, 2.69 A)
 &rst
  ixpk= 1512, nxpk= 10, iat=2193,2203, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  144 GLN  HN          143 LYS  HN          3.50    (#   1513:10  Unique         2.61, 2.72 A)
 &rst
  ixpk= 1513, nxpk= 10, iat=2225,2203, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  141 LEU  HA          143 LYS  HN          7.00    (#   1514:10  Unique         4.43, 4.45 A)
 &rst
  ixpk= 1514, nxpk= 10, iat=2176,2203, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1515   143 LYS  HN          4.50    (#   1515:10  Single Ambig)
 &rst
  ixpk= 1515, nxpk= 10, iat=  -1,2203, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2159,2135,
 &end
#
#    0 AMB  10-2:1516   143 LYS  HN          5.50    (#   1516:10  Single Ambig)
 &rst
  ixpk= 1516, nxpk= 10, iat=  -1,2203, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=2195,2227,
 &end
#
#  143 LYS  HA          143 LYS  HN          3.50    (#   1517:10  Unique         2.84, 2.87 A)
 &rst
  ixpk= 1517, nxpk= 10, iat=2205,2203, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1518   143 LYS  HN          5.50    (#   1518:10  Single Ambig)
 &rst
  ixpk= 1518, nxpk= 10, iat=  -1,2203, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2229,2230,2232,2233,
 &end
#
#    0 AMB  10-2:1519   143 LYS  HN          7.00    (#   1519:10  Single Ambig)
 &rst
  ixpk= 1519, nxpk= 10, iat=  -1,2203, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2178,2179,2161,2162,
 &end
#
#    0 AMB  10-2:1520   143 LYS  HN          5.50    (#   1520:10  Single Ambig)
 &rst
  ixpk= 1520, nxpk= 10, iat=  -1,2203, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 426, 427,2161,2162, 423, 424,
 &end
#
#  143 LYS  HB-         143 LYS  HN          3.50    (#   1521:10  Unique         2.21, 3.00 A)
 &rst
  ixpk= 1521, nxpk= 10, iat=  -1,2203, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2207,2208,
 &end
#
#  143 LYS  HG+         143 LYS  HN          4.50    (#   1522:10  Unique         2.39, 3.38 A)
 &rst
  ixpk= 1522, nxpk= 10, iat=  -1,2203, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2210,2211,
 &end
#
#    0 AMB  10-2:1523   143 LYS  HN          3.50    (#   1523:10  Single Ambig)
 &rst
  ixpk= 1523, nxpk= 10, iat=  -1,2203, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=2210,2211,2197,2198,2199,
 &end
#
#    0 AMB  10-2:1524   143 LYS  HN          5.50    (#   1524:10  Single Ambig)
 &rst
  ixpk= 1524, nxpk= 10, iat=  -1,2203, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 450, 451, 452, 357, 358, 359,2251,2252,2253,2183,
      2184,2185, 364, 365, 366,
 &end
#
#    3 ILE  HN           33 ASN  HD2-        7.00    (#   1529:10  Unique         3.85, 5.08 A)
 &rst
  ixpk= 1529, nxpk= 10, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 499, 500,
 &end
#
#    2 ASP  HA           33 ASN  HD2-        7.00    (#   1531:10  Unique         3.57, 4.73 A)
 &rst
  ixpk= 1531, nxpk= 10, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 499, 500,
 &end
#
#    0 AMB  10-2:1532    33 ASN  HD2-        7.00    (#   1532:10  Single Ambig)
 &rst
  ixpk= 1532, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 506, 492,
 igr2= 499, 500,
 &end
#
#   33 ASN  HB+          33 ASN  HD2-        4.50    (#   1534:10  Unique         2.22, 3.31 A)
 &rst
  ixpk= 1534, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 494, 495,
 igr2= 499, 500,
 &end
#
#    0 AMB  10-2:1541    58 LYS  HN          7.00    (#   1541:10  Single Ambig)
 &rst
  ixpk= 1541, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 811, 782,
 &end
#
#   59 HIS  HN           58 LYS  HN          3.50    (#   1542:10  Unique         2.60, 2.70 A)
 &rst
  ixpk= 1542, nxpk= 10, iat= 868, 846, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1543    58 LYS  HN          4.50    (#   1543:10  Single Ambig)
 &rst
  ixpk= 1543, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 848, 813,
 &end
#
#   57 GLU  HA           58 LYS  HN          4.50    (#   1544:10  Unique         3.60, 3.63 A)
 &rst
  ixpk= 1544, nxpk= 10, iat= 833, 846, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 GLU  HG-          58 LYS  HN          7.00    (#   1545:10  Unique         3.96, 4.67 A)
 &rst
  ixpk= 1545, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 838, 839,
 &end
#
#   58 LYS  HG-          58 LYS  HN          5.50    (#   1546:10  Unique         4.37, 4.52 A)
 &rst
  ixpk= 1546, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 853, 854,
 &end
#
#   60 ILE  QD1          58 LYS  HN          5.50    (#   1547:10  Unique         4.94, 6.17 A)
 &rst
  ixpk= 1547, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 898, 899, 900,
 &end
#
#   57 GLU  HN           58 LYS  HN          4.50    (#   1548:10  Unique         2.70, 2.73 A)
 &rst
  ixpk= 1548, nxpk= 10, iat= 831, 846, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 LEU  HA           58 LYS  HN          5.50    (#   1550:10  Unique         2.73, 2.82 A)
 &rst
  ixpk= 1550, nxpk= 10, iat= 794, 846, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 GLU  HG+          58 LYS  HN          7.00    (#   1551:10  Unique         3.96, 4.67 A)
 &rst
  ixpk= 1551, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 838, 839,
 &end
#
#   58 LYS  HB+          58 LYS  HN          4.50    (#   1552:10  Unique         2.38, 2.57 A)
 &rst
  ixpk= 1552, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 850, 851,
 &end
#
#   57 GLU  HB+          58 LYS  HN          5.50    (#   1553:10  Unique         2.66, 3.33 A)
 &rst
  ixpk= 1553, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 835, 836,
 &end
#
#   57 GLU  HB-          58 LYS  HN          5.50    (#   1554:10  Unique         2.66, 3.33 A)
 &rst
  ixpk= 1554, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 835, 836,
 &end
#
#    0 AMB  10-2:1555    58 LYS  HN          7.00    (#   1555:10  Single Ambig)
 &rst
  ixpk= 1555, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 796, 797, 799,
 &end
#
#   58 LYS  HB-          58 LYS  HN          4.50    (#   1556:10  Unique         2.38, 2.57 A)
 &rst
  ixpk= 1556, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 850, 851,
 &end
#
#    0 AMB  10-2:1557    58 LYS  HN          5.50    (#   1557:10  Single Ambig)
 &rst
  ixpk= 1557, nxpk= 10, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 853, 854, 786, 787, 788,
 &end
#
#   15 PRO  HD-          16 MET  HN          5.50    (#   1558:10  Unique         2.66, 3.43 A)
 &rst
  ixpk= 1558, nxpk= 10, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 214, 215,
 &end
#
#    0 AMB  10-2:1561    16 MET  HN          5.50    (#   1561:10  Single Ambig)
 &rst
  ixpk= 1561, nxpk= 10, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 238, 239, 240, 261, 262,
 &end
#
#   15 PRO  HB+          16 MET  HN          5.50    (#   1562:10  Unique         2.97, 3.99 A)
 &rst
  ixpk= 1562, nxpk= 10, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 220, 221,
 &end
#
#   16 MET  HA           16 MET  HN          4.50    (#   1563:10  Unique         2.87, 2.88 A)
 &rst
  ixpk= 1563, nxpk= 10, iat= 229, 227, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95 PHE  HD2          70 THR  HN          7.00    (#   1565:10  Unique         7.01, 7.02 A)
 &rst
  ixpk= 1565, nxpk= 10, iat=1440,1035, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   70 THR  HB           70 THR  HN          5.50    (#   1568:10  Unique         3.65, 3.67 A)
 &rst
  ixpk= 1568, nxpk= 10, iat=1039,1035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 LEU  HA           70 THR  HN          3.50    (#   1569:10  Unique         2.13, 2.17 A)
 &rst
  ixpk= 1569, nxpk= 10, iat=1018,1035, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1570    70 THR  HN          7.00    (#   1570:10  Single Ambig)
 &rst
  ixpk= 1570, nxpk= 10, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1006,1007,1068,1069,
 &end
#
#   73 LEU  HB+          70 THR  HN          3.50    (#   1571:10  Unique         2.57, 3.14 A)
 &rst
  ixpk= 1571, nxpk= 10, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1083,1084,
 &end
#
#    0 AMB  10-2:1572    70 THR  HN          3.50    (#   1572:10  Single Ambig)
 &rst
  ixpk= 1572, nxpk= 10, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1092,1093,1094,1020,1021,
 &end
#
#   73 LEU  MD1          70 THR  HN          5.50    (#   1573:10  Unique         5.74, 6.24 A)
 &rst
  ixpk= 1573, nxpk= 10, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1088,1089,1090,
 &end
#
#   69 LEU  MD1          70 THR  HN          4.50    (#   1574:10  Unique         2.40, 3.48 A)
 &rst
  ixpk= 1574, nxpk= 10, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1025,1026,1027,
 &end
#
#   72 GLU  HN           70 THR  HN          7.00    (#   1575:10  Unique         4.97, 5.02 A)
 &rst
  ixpk= 1575, nxpk= 10, iat=1064,1035, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   69 LEU  HN           70 THR  HN          7.00    (#   1576:10  Unique         4.36, 4.38 A)
 &rst
  ixpk= 1576, nxpk= 10, iat=1016,1035, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1577    70 THR  HN          5.50    (#   1577:10  Single Ambig)
 &rst
  ixpk= 1577, nxpk= 10, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1079,1098,
 &end
#
#   69 LEU  HB+          70 THR  HN          5.50    (#   1578:10  Unique         4.38, 4.43 A)
 &rst
  ixpk= 1578, nxpk= 10, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1020,1021,
 &end
#
#   70 THR  MG2          70 THR  HN          4.50    (#   1579:10  Unique         3.29, 4.07 A)
 &rst
  ixpk= 1579, nxpk= 10, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1041,1042,1043,
 &end
#
#    0 AMB  10-2:1580    70 THR  HN          4.50    (#   1580:10  Single Ambig)
 &rst
  ixpk= 1580, nxpk= 10, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1083,1084,1023,
 &end
#
#  107 GLU  HN          104 THR  HN          7.00    (#   1582:10  Unique         3.84, 4.09 A)
 &rst
  ixpk= 1582, nxpk= 10, iat=1645,1590, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  107 GLU  HG-         104 THR  HN          4.50    (#   1584:10  Unique         3.45, 3.96 A)
 &rst
  ixpk= 1584, nxpk= 10, iat=  -1,1590, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1652,1653,
 &end
#
#  107 GLU  HB-         104 THR  HN          7.00    (#   1585:10  Unique         2.02, 2.79 A)
 &rst
  ixpk= 1585, nxpk= 10, iat=  -1,1590, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1649,1650,
 &end
#
#   88 LYS  QD          104 THR  HN          5.50    (#   1586:10  Unique         3.16, 4.20 A)
 &rst
  ixpk= 1586, nxpk= 10, iat=  -1,1590, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1319,1320,
 &end
#
#    0 AMB  10-2:1587   104 THR  HN          5.50    (#   1587:10  Single Ambig)
 &rst
  ixpk= 1587, nxpk= 10, iat=  -1,1590, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1578,1586,1271,
 &end
#
#  104 THR  HA          104 THR  HN          5.50    (#   1588:10  Unique         2.91, 2.92 A)
 &rst
  ixpk= 1588, nxpk= 10, iat=1592,1590, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  103 PHE  HA          104 THR  HN          4.50    (#   1589:10  Unique         2.25, 2.30 A)
 &rst
  ixpk= 1589, nxpk= 10, iat=1572,1590, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103 PHE  HB+         104 THR  HN          5.50    (#   1590:10  Unique         2.51, 3.35 A)
 &rst
  ixpk= 1590, nxpk= 10, iat=  -1,1590, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1574,1575,
 &end
#
#  107 GLU  HG+         104 THR  HN          4.50    (#   1591:10  Unique         3.45, 3.96 A)
 &rst
  ixpk= 1591, nxpk= 10, iat=  -1,1590, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1652,1653,
 &end
#
#  103 PHE  HB-         104 THR  HN          5.50    (#   1592:10  Unique         2.51, 3.35 A)
 &rst
  ixpk= 1592, nxpk= 10, iat=  -1,1590, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1574,1575,
 &end
#
#  104 THR  MG2         104 THR  HN          4.50    (#   1593:10  Unique         4.29, 4.53 A)
 &rst
  ixpk= 1593, nxpk= 10, iat=  -1,1590, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1596,1597,1598,
 &end
#
#   81 LEU  HG          104 THR  HN          7.00    (#   1594:10  Unique         5.78, 5.88 A)
 &rst
  ixpk= 1594, nxpk= 10, iat=1205,1590, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1595   104 THR  HN          7.00    (#   1595:10  Single Ambig)
 &rst
  ixpk= 1595, nxpk= 10, iat=  -1,1590, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1=1313,1314,1221,1222,1223,
 &end
#
#  105 LEU  HN          106 LYS  HN          5.50    (#   1597:10  Unique         3.10, 3.20 A)
 &rst
  ixpk= 1597, nxpk= 10, iat=1604,1623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  107 GLU  HN          106 LYS  HN          5.50    (#   1598:10  Unique         2.37, 2.52 A)
 &rst
  ixpk= 1598, nxpk= 10, iat=1645,1623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104 THR  HA          106 LYS  HN          7.00    (#   1599:10  Unique         4.58, 4.88 A)
 &rst
  ixpk= 1599, nxpk= 10, iat=1592,1623, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  105 LEU  HA          106 LYS  HN          5.50    (#   1601:10  Unique         3.55, 3.61 A)
 &rst
  ixpk= 1601, nxpk= 10, iat=1606,1623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106 LYS  HA          106 LYS  HN          5.50    (#   1602:10  Unique         2.91, 2.95 A)
 &rst
  ixpk= 1602, nxpk= 10, iat=1625,1623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106 LYS  HB+         106 LYS  HN          3.50    (#   1603:10  Unique         2.37, 3.05 A)
 &rst
  ixpk= 1603, nxpk= 10, iat=  -1,1623, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1627,1628,
 &end
#
#  106 LYS  HD-         106 LYS  HN          5.50    (#   1604:10  Unique         3.87, 4.57 A)
 &rst
  ixpk= 1604, nxpk= 10, iat=  -1,1623, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1633,1634,
 &end
#
#  106 LYS  HD+         106 LYS  HN          5.50    (#   1605:10  Unique         3.87, 4.57 A)
 &rst
  ixpk= 1605, nxpk= 10, iat=  -1,1623, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1633,1634,
 &end
#
#  106 LYS  HG+         106 LYS  HN          4.50    (#   1606:10  Unique         2.43, 3.21 A)
 &rst
  ixpk= 1606, nxpk= 10, iat=  -1,1623, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1630,1631,
 &end
#
#  105 LEU  MD1         106 LYS  HN          5.50    (#   1607:10  Unique         4.95, 5.57 A)
 &rst
  ixpk= 1607, nxpk= 10, iat=  -1,1623, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1613,1614,1615,
 &end
#
#  105 LEU  HG          106 LYS  HN          5.50    (#   1608:10  Unique         3.48, 3.81 A)
 &rst
  ixpk= 1608, nxpk= 10, iat=1611,1623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104 THR  MG2         106 LYS  HN          7.00    (#   1609:10  Unique         2.99, 4.32 A)
 &rst
  ixpk= 1609, nxpk= 10, iat=  -1,1623, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1596,1597,1598,
 &end
#
#   35 ARG  HD-          36 SER  HN          7.00    (#   1610:10  Unique         4.00, 5.29 A)
 &rst
  ixpk= 1610, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 530, 531,
 &end
#
#  126 ILE  HB          123 SER  HN          5.50    (#   1611:10  Unique         3.18, 3.28 A)
 &rst
  ixpk= 1611, nxpk= 10, iat=1906,1860, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ASN  HA           44 ASN  HD2+        7.00    (#   1614:10  Unique         2.46, 4.53 A)
 &rst
  ixpk= 1614, nxpk= 10, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 652, 653,
 &end
#
#   44 ASN  HB+          44 ASN  HD2+        5.50    (#   1615:10  Unique         2.27, 3.27 A)
 &rst
  ixpk= 1615, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 647, 648,
 igr2= 652, 653,
 &end
#
#   44 ASN  HB-          44 ASN  HD2+        4.50    (#   1616:10  Unique         2.27, 3.27 A)
 &rst
  ixpk= 1616, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 647, 648,
 igr2= 652, 653,
 &end
#
#   44 ASN  HA           44 ASN  HD2-        7.00    (#   1617:10  Unique         2.46, 4.53 A)
 &rst
  ixpk= 1617, nxpk= 10, iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 652, 653,
 &end
#
#   44 ASN  HB+          44 ASN  HD2-        7.00    (#   1618:10  Unique         2.27, 3.27 A)
 &rst
  ixpk= 1618, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 647, 648,
 igr2= 652, 653,
 &end
#
#    0 AMB  10-2:1619     0 AMB  10-1:1619   7.00    (#   1619:10  Double Ambig)
 &rst
  ixpk= 1619, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.11, r4=11.61,
 igr1= 636, 637, 918, 919,
 igr2= 652, 653, 942, 943,
 &end
#
#   35 ARG  HN           36 SER  HN          5.50    (#   1620:10  Unique         4.33, 4.36 A)
 &rst
  ixpk= 1620, nxpk= 10, iat= 520, 544, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 SER  HA           36 SER  HN          5.50    (#   1621:10  Unique         2.91, 2.94 A)
 &rst
  ixpk= 1621, nxpk= 10, iat= 546, 544, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 ARG  HA           36 SER  HN          3.50    (#   1622:10  Unique         2.35, 2.44 A)
 &rst
  ixpk= 1622, nxpk= 10, iat= 522, 544, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 ILE  QG2          36 SER  HN          5.50    (#   1623:10  Unique         3.93, 5.25 A)
 &rst
  ixpk= 1623, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  58,  59,  60,
 &end
#
#   36 SER  HB-          36 SER  HN          7.00    (#   1624:10  Unique         2.51, 3.37 A)
 &rst
  ixpk= 1624, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 548, 549,
 &end
#
#  126 ILE  HN          123 SER  HN          7.00    (#   1625:10  Unique         3.37, 3.44 A)
 &rst
  ixpk= 1625, nxpk= 10, iat=1902,1860, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  123 SER  HB+         123 SER  HN          4.50    (#   1627:10  Unique         2.78, 3.17 A)
 &rst
  ixpk= 1627, nxpk= 10, iat=  -1,1860, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1864,1865,
 &end
#
#  123 SER  HB-         123 SER  HN          4.50    (#   1628:10  Unique         2.78, 3.17 A)
 &rst
  ixpk= 1628, nxpk= 10, iat=  -1,1860, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1864,1865,
 &end
#
#  126 ILE  HG1-        123 SER  HN          5.50    (#   1629:10  Unique         2.04, 2.40 A)
 &rst
  ixpk= 1629, nxpk= 10, iat=  -1,1860, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1912,1913,
 &end
#
#  126 ILE  HG1+        123 SER  HN          5.50    (#   1630:10  Unique         2.04, 2.40 A)
 &rst
  ixpk= 1630, nxpk= 10, iat=  -1,1860, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1912,1913,
 &end
#
#  126 ILE  QG2         123 SER  HN          5.50    (#   1631:10  Unique         4.52, 5.19 A)
 &rst
  ixpk= 1631, nxpk= 10, iat=  -1,1860, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1908,1909,1910,
 &end
#
#  122 GLY  HN          123 SER  HN          5.50    (#   1632:10  Unique         4.55, 4.56 A)
 &rst
  ixpk= 1632, nxpk= 10, iat=1853,1860, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  123 SER  HA          123 SER  HN          4.50    (#   1633:10  Unique         2.91, 2.92 A)
 &rst
  ixpk= 1633, nxpk= 10, iat=1862,1860, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  126 ILE  QD1         123 SER  HN          5.50    (#   1636:10  Unique         3.82, 4.47 A)
 &rst
  ixpk= 1636, nxpk= 10, iat=  -1,1860, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1915,1916,1917,
 &end
#
#    0 AMB  10-2:1643     0 AMB  10-1:1643   5.50    (#   1643:10  Double Ambig)
 &rst
  ixpk= 1643, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 647, 648, 937, 938,
 igr2= 652, 653, 942, 943,
 &end
#
#   56 PHE  QE           59 HIS  HN          7.00    (#   1645:10  Unique         6.28, 6.93 A)
 &rst
  ixpk= 1645, nxpk= 10, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 821, 825,
 &end
#
#   58 LYS  HB-          59 HIS  HN          5.50    (#   1646:10  Unique         3.45, 3.87 A)
 &rst
  ixpk= 1646, nxpk= 10, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 850, 851,
 &end
#
#   58 LYS  HG+          59 HIS  HN          7.00    (#   1648:10  Unique         4.67, 4.94 A)
 &rst
  ixpk= 1648, nxpk= 10, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 853, 854,
 &end
#
#   63 ASN  HB+          63 ASN  HD2+        5.50    (#   1651:10  Unique         2.30, 3.45 A)
 &rst
  ixpk= 1651, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 937, 938,
 igr2= 942, 943,
 &end
#
#   63 ASN  HB-          63 ASN  HD2+        5.50    (#   1652:10  Unique         2.30, 3.45 A)
 &rst
  ixpk= 1652, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 937, 938,
 igr2= 942, 943,
 &end
#
#   61 ALA  MB           63 ASN  HD2+        7.00    (#   1653:10  Unique         2.55, 5.17 A)
 &rst
  ixpk= 1653, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 908, 909, 910,
 igr2= 942, 943,
 &end
#
#   63 ASN  HB-          63 ASN  HD2-        5.50    (#   1661:10  Unique         2.30, 3.45 A)
 &rst
  ixpk= 1661, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 937, 938,
 igr2= 942, 943,
 &end
#
#   61 ALA  MB           63 ASN  HD2-        5.50    (#   1662:10  Unique         2.55, 5.17 A)
 &rst
  ixpk= 1662, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 908, 909, 910,
 igr2= 942, 943,
 &end
#
#   58 LYS  HB+          59 HIS  HN          7.00    (#   1663:10  Unique         3.45, 3.87 A)
 &rst
  ixpk= 1663, nxpk= 10, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 850, 851,
 &end
#
#    0 AMB  10-2:1664    59 HIS  HN          5.50    (#   1664:10  Single Ambig)
 &rst
  ixpk= 1664, nxpk= 10, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 895, 896, 889,
 &end
#
#   58 LYS  HN           59 HIS  HN          4.50    (#   1665:10  Unique         2.60, 2.70 A)
 &rst
  ixpk= 1665, nxpk= 10, iat= 846, 868, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1666    59 HIS  HN          4.50    (#   1666:10  Single Ambig)
 &rst
  ixpk= 1666, nxpk= 10, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 813, 848,
 &end
#
#   59 HIS  HA           59 HIS  HN          3.50    (#   1667:10  Unique         2.19, 2.20 A)
 &rst
  ixpk= 1667, nxpk= 10, iat= 870, 868, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 HIS  HB+          59 HIS  HN          4.00    (#   1668:10  Unique         3.10, 3.60 A)
 &rst
  ixpk= 1668, nxpk= 10, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 872, 873,
 &end
#
#   59 HIS  HB-          59 HIS  HN          4.00    (#   1669:10  Unique         3.10, 3.60 A)
 &rst
  ixpk= 1669, nxpk= 10, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 872, 873,
 &end
#
#   58 LYS  HG-          59 HIS  HN          7.00    (#   1670:10  Unique         4.67, 4.94 A)
 &rst
  ixpk= 1670, nxpk= 10, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 853, 854,
 &end
#
#   31 ASN  HB+          31 ASN  HD2+        5.50    (#   1677:10  Unique         2.26, 3.30 A)
 &rst
  ixpk= 1677, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 464, 465,
 igr2= 469, 470,
 &end
#
#   31 ASN  HB-          31 ASN  HD2+        5.50    (#   1678:10  Unique         2.26, 3.30 A)
 &rst
  ixpk= 1678, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 464, 465,
 igr2= 469, 470,
 &end
#
#   31 ASN  HB+          31 ASN  HD2-        5.50    (#   1682:10  Unique         2.26, 3.30 A)
 &rst
  ixpk= 1682, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 464, 465,
 igr2= 469, 470,
 &end
#
#   31 ASN  HB-          31 ASN  HD2-        7.00    (#   1683:10  Unique         2.26, 3.30 A)
 &rst
  ixpk= 1683, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 464, 465,
 igr2= 469, 470,
 &end
#
#   86 GLN  HG+          86 GLN  HE2+        5.50    (#   1687:10  Unique         2.24, 3.39 A)
 &rst
  ixpk= 1687, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1282,1283,
 igr2=1287,1288,
 &end
#
#   86 GLN  HG-          86 GLN  HE2+        7.00    (#   1688:10  Unique         2.24, 3.39 A)
 &rst
  ixpk= 1688, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1282,1283,
 igr2=1287,1288,
 &end
#
#   90 ILE  QD1          86 GLN  HE2+        7.00    (#   1689:10  Unique         2.83, 4.77 A)
 &rst
  ixpk= 1689, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1361,1362,1363,
 igr2=1287,1288,
 &end
#
#    0 AMB  10-2:1690    23 SER  HN          5.50    (#   1690:10  Single Ambig)
 &rst
  ixpk= 1690, nxpk= 10, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 380, 395,
 &end
#
#   86 GLN  HG+          86 GLN  HE2-        5.50    (#   1693:10  Unique         2.24, 3.39 A)
 &rst
  ixpk= 1693, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1282,1283,
 igr2=1287,1288,
 &end
#
#   86 GLN  HG-          86 GLN  HE2-        7.00    (#   1694:10  Unique         2.24, 3.39 A)
 &rst
  ixpk= 1694, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1282,1283,
 igr2=1287,1288,
 &end
#
#    0 AMB  10-2:1695    86 GLN  HE2-        7.00    (#   1695:10  Single Ambig)
 &rst
  ixpk= 1695, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1358,1359,1279,1280,
 igr2=1287,1288,
 &end
#
#   90 ILE  QD1          86 GLN  HE2-        7.00    (#   1696:10  Unique         2.83, 4.77 A)
 &rst
  ixpk= 1696, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1361,1362,1363,
 igr2=1287,1288,
 &end
#
#   25 ALA  HN           23 SER  HN          7.00    (#   1699:10  Unique         4.18, 4.20 A)
 &rst
  ixpk= 1699, nxpk= 10, iat= 370, 340, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   22 LYS  HN           23 SER  HN          4.50    (#   1700:10  Unique         2.70, 2.74 A)
 &rst
  ixpk= 1700, nxpk= 10, iat= 318, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 ILE  HN           23 SER  HN          4.50    (#   1701:10  Unique         2.75, 2.79 A)
 &rst
  ixpk= 1701, nxpk= 10, iat= 351, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 SER  HA           23 SER  HN          4.50    (#   1703:10  Unique         2.83, 2.83 A)
 &rst
  ixpk= 1703, nxpk= 10, iat= 342, 340, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1704    23 SER  HN          3.50    (#   1704:10  Single Ambig)
 &rst
  ixpk= 1704, nxpk= 10, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 344, 345, 281,
 &end
#
#   22 LYS  HA           23 SER  HN          5.50    (#   1705:10  Unique         3.56, 3.57 A)
 &rst
  ixpk= 1705, nxpk= 10, iat= 320, 340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1706    23 SER  HN          7.00    (#   1706:10  Single Ambig)
 &rst
  ixpk= 1706, nxpk= 10, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 353, 372, 246,
 &end
#
#   22 LYS  HB-          23 SER  HN          3.50    (#   1708:10  Unique         2.57, 3.06 A)
 &rst
  ixpk= 1708, nxpk= 10, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 322, 323,
 &end
#
#    0 AMB  10-2:1709    23 SER  HN          5.50    (#   1709:10  Single Ambig)
 &rst
  ixpk= 1709, nxpk= 10, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 325, 326, 328, 329, 402, 403,
 &end
#
#    0 AMB  10-2:1710    23 SER  HN          5.50    (#   1710:10  Single Ambig)
 &rst
  ixpk= 1710, nxpk= 10, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 355, 856, 857,2118,2119,
 &end
#
#    0 AMB  10-2:1711    23 SER  HN          4.50    (#   1711:10  Single Ambig)
 &rst
  ixpk= 1711, nxpk= 10, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 898, 899, 900, 286,
 &end
#
#    0 AMB  10-2:1712    23 SER  HN          5.50    (#   1712:10  Single Ambig)
 &rst
  ixpk= 1712, nxpk= 10, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 325, 326, 895, 896,
 &end
#
#  110 THR  HA          109 VAL  HN          7.00    (#   1713:10  Unique         4.92, 5.05 A)
 &rst
  ixpk= 1713, nxpk= 10, iat=1699,1681, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1714   109 VAL  HN          5.50    (#   1714:10  Single Ambig)
 &rst
  ixpk= 1714, nxpk= 10, iat=  -1,1681, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1647,1606,
 &end
#
#    0 AMB  10-2:1715   109 VAL  HN          7.00    (#   1715:10  Single Ambig)
 &rst
  ixpk= 1715, nxpk= 10, iat=  -1,1681, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1652,1653,1636,1637,
 &end
#
#    0 AMB  10-2:1716   109 VAL  HN          4.50    (#   1716:10  Single Ambig)
 &rst
  ixpk= 1716, nxpk= 10, iat=  -1,1681, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1687,1688,1689,1613,1614,1615,
 &end
#
#  108 TYR  HN          109 VAL  HN          4.50    (#   1717:10  Unique         2.75, 2.81 A)
 &rst
  ixpk= 1717, nxpk= 10, iat=1660,1681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 THR  HN          109 VAL  HN          4.50    (#   1718:10  Unique         2.16, 2.36 A)
 &rst
  ixpk= 1718, nxpk= 10, iat=1697,1681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  108 TYR  QE          109 VAL  HN          7.00    (#   1719:10  Unique         5.94, 6.87 A)
 &rst
  ixpk= 1719, nxpk= 10, iat=  -1,1681, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1670,1675,
 &end
#
#  108 TYR  HD1         109 VAL  HN          5.50    (#   1720:10  Unique         3.69, 4.13 A)
 &rst
  ixpk= 1720, nxpk= 10, iat=1668,1681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  109 VAL  HA          109 VAL  HN          3.50    (#   1721:10  Unique         2.89, 2.95 A)
 &rst
  ixpk= 1721, nxpk= 10, iat=1683,1681, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  106 LYS  HA          109 VAL  HN          5.50    (#   1722:10  Unique         3.30, 3.49 A)
 &rst
  ixpk= 1722, nxpk= 10, iat=1625,1681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  108 TYR  HA          109 VAL  HN          5.50    (#   1723:10  Unique         3.47, 3.54 A)
 &rst
  ixpk= 1723, nxpk= 10, iat=1662,1681, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  108 TYR  HB+         109 VAL  HN          3.50    (#   1724:10  Unique         2.42, 3.41 A)
 &rst
  ixpk= 1724, nxpk= 10, iat=  -1,1681, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1664,1665,
 &end
#
#  109 VAL  HB          109 VAL  HN          3.50    (#   1725:10  Unique         2.53, 2.57 A)
 &rst
  ixpk= 1725, nxpk= 10, iat=1685,1681, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  109 VAL  MG2         109 VAL  HN          3.50    (#   1726:10  Unique         2.09, 3.13 A)
 &rst
  ixpk= 1726, nxpk= 10, iat=  -1,1681, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1691,1692,1693,
 &end
#
#    0 AMB  10-2:1727   109 VAL  HN          5.50    (#   1727:10  Single Ambig)
 &rst
  ixpk= 1727, nxpk= 10, iat=  -1,1681, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2104,2105,2106,2183,2184,2185,
 &end
#
#   81 LEU  HG          109 VAL  HN          7.00    (#   1728:10  Unique         6.28, 6.80 A)
 &rst
  ixpk= 1728, nxpk= 10, iat=1205,1681, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   21 PHE  HN           23 SER  HN          7.00    (#   1730:10  Unique         4.14, 4.17 A)
 &rst
  ixpk= 1730, nxpk= 10, iat= 298, 340, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   89 GLN  HG+          89 GLN  HE2+        7.00    (#   1733:10  Unique         2.30, 3.43 A)
 &rst
  ixpk= 1733, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1338,1339,
 igr2=1343,1344,
 &end
#
#   89 GLN  HG-          89 GLN  HE2+        7.00    (#   1734:10  Unique         2.30, 3.43 A)
 &rst
  ixpk= 1734, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1338,1339,
 igr2=1343,1344,
 &end
#
#   89 GLN  HB-          89 GLN  HE2+        7.00    (#   1735:10  Unique         2.37, 3.76 A)
 &rst
  ixpk= 1735, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1335,1336,
 igr2=1343,1344,
 &end
#
#   89 GLN  HA           89 GLN  HE2+        7.00    (#   1737:10  Unique         3.34, 4.93 A)
 &rst
  ixpk= 1737, nxpk= 10, iat=1333,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1343,1344,
 &end
#
#   86 GLN  HE2+         89 GLN  HE2-        7.00    (#   1739:10  Unique         4.14, 6.33 A)
 &rst
  ixpk= 1739, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1287,1288,
 igr2=1343,1344,
 &end
#
#   89 GLN  HG+          89 GLN  HE2-        7.00    (#   1743:10  Unique         2.30, 3.43 A)
 &rst
  ixpk= 1743, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1338,1339,
 igr2=1343,1344,
 &end
#
#   89 GLN  HG-          89 GLN  HE2-        7.00    (#   1744:10  Unique         2.30, 3.43 A)
 &rst
  ixpk= 1744, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1338,1339,
 igr2=1343,1344,
 &end
#
#   89 GLN  HB-          89 GLN  HE2-        7.00    (#   1745:10  Unique         2.37, 3.76 A)
 &rst
  ixpk= 1745, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1335,1336,
 igr2=1343,1344,
 &end
#
#   87 HIS  HN           84 THR  HN          7.00    (#   1748:10  Unique         3.19, 3.47 A)
 &rst
  ixpk= 1748, nxpk= 10, iat=1292,1244, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  109 VAL  HB          111 GLY  HN          5.50    (#   1750:10  Unique         4.43, 4.87 A)
 &rst
  ixpk= 1750, nxpk= 10, iat=1685,1711, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  110 THR  HN          111 GLY  HN          3.50    (#   1751:10  Unique         2.00, 2.19 A)
 &rst
  ixpk= 1751, nxpk= 10, iat=1697,1711, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 SER  HN          111 GLY  HN          3.50    (#   1752:10  Unique         2.53, 2.76 A)
 &rst
  ixpk= 1752, nxpk= 10, iat=1718,1711, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  110 THR  HA          111 GLY  HN          5.50    (#   1753:10  Unique         3.28, 3.35 A)
 &rst
  ixpk= 1753, nxpk= 10, iat=1699,1711, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  110 THR  HB          111 GLY  HN          5.50    (#   1754:10  Unique         3.94, 4.25 A)
 &rst
  ixpk= 1754, nxpk= 10, iat=1701,1711, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  107 GLU  HA          111 GLY  HN          3.50    (#   1755:10  Unique         2.74, 2.99 A)
 &rst
  ixpk= 1755, nxpk= 10, iat=1647,1711, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1757   111 GLY  HN          5.50    (#   1757:10  Single Ambig)
 &rst
  ixpk= 1757, nxpk= 10, iat=  -1,1711, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1662,1722,1723,
 &end
#
#  107 GLU  HB+         111 GLY  HN          7.00    (#   1758:10  Unique         5.18, 5.42 A)
 &rst
  ixpk= 1758, nxpk= 10, iat=  -1,1711, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1649,1650,
 &end
#
#    0 AMB  10-2:1759   111 GLY  HN          5.50    (#   1759:10  Single Ambig)
 &rst
  ixpk= 1759, nxpk= 10, iat=  -1,1711, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1703,1704,1705,1691,1692,1693,
 &end
#
#  140 GLN  HE2-        111 GLY  HN          7.00    (#   1760:10  Unique         7.56, 7.94 A)
 &rst
  ixpk= 1760, nxpk= 10, iat=  -1,1711, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2169,2170,
 &end
#
#  137 LEU  HA          140 GLN  HE2+        5.50    (#   1767:10  Unique         2.62, 5.12 A)
 &rst
  ixpk= 1767, nxpk= 10, iat=2097,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2169,2170,
 &end
#
#  140 GLN  HG-         140 GLN  HE2+        5.50    (#   1768:10  Unique         2.33, 3.46 A)
 &rst
  ixpk= 1768, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2164,2165,
 igr2=2169,2170,
 &end
#
#    0 AMB  10-2:1769     0 AMB  10-1:1769   7.00    (#   1769:10  Double Ambig)
 &rst
  ixpk= 1769, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=2087,2088,2102,
 igr2=2169,2170,2169,2170,
 &end
#
#  109 VAL  MG1         140 GLN  HE2+        7.00    (#   1770:10  Unique         2.60, 3.82 A)
 &rst
  ixpk= 1770, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1687,1688,1689,
 igr2=2169,2170,
 &end
#
#  110 THR  MG2         140 GLN  HE2+        7.00    (#   1771:10  Unique         2.58, 4.21 A)
 &rst
  ixpk= 1771, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1703,1704,1705,
 igr2=2169,2170,
 &end
#
#  137 LEU  HA          140 GLN  HE2-        5.50    (#   1774:10  Unique         2.62, 5.12 A)
 &rst
  ixpk= 1774, nxpk= 10, iat=2097,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2169,2170,
 &end
#
#  140 GLN  HG+         140 GLN  HE2-        5.50    (#   1775:10  Unique         2.33, 3.46 A)
 &rst
  ixpk= 1775, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2164,2165,
 igr2=2169,2170,
 &end
#
#  140 GLN  HG-         140 GLN  HE2-        5.50    (#   1776:10  Unique         2.33, 3.46 A)
 &rst
  ixpk= 1776, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2164,2165,
 igr2=2169,2170,
 &end
#
#  136 GLU  HG+         140 GLN  HE2-        5.50    (#   1777:10  Unique         3.91, 7.04 A)
 &rst
  ixpk= 1777, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2087,2088,
 igr2=2169,2170,
 &end
#
#  140 GLN  HB-         140 GLN  HE2-        7.00    (#   1778:10  Unique         2.47, 3.60 A)
 &rst
  ixpk= 1778, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2161,2162,
 igr2=2169,2170,
 &end
#
#    0 AMB  10-2:1779   140 GLN  HE2-        7.00    (#   1779:10  Single Ambig)
 &rst
  ixpk= 1779, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
 igr1=2087,2088,2102,2207,2208,
 igr2=2169,2170,
 &end
#
#  110 THR  MG2         140 GLN  HE2-        7.00    (#   1780:10  Unique         2.58, 4.21 A)
 &rst
  ixpk= 1780, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1703,1704,1705,
 igr2=2169,2170,
 &end
#
#  137 LEU  MD1         140 GLN  HE2-        7.00    (#   1781:10  Unique         2.65, 5.60 A)
 &rst
  ixpk= 1781, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=2104,2105,2106,
 igr2=2169,2170,
 &end
#
#   88 LYS  HN           84 THR  HN          7.00    (#   1782:10  Unique         3.71, 3.90 A)
 &rst
  ixpk= 1782, nxpk= 10, iat=1309,1244, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   83 MET  HB-          84 THR  HN          5.50    (#   1783:10  Unique         3.16, 3.79 A)
 &rst
  ixpk= 1783, nxpk= 10, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1231,1232,
 &end
#
#   88 LYS  HN           84 THR  HN          7.00    (#   1784:10  Unique         3.71, 3.90 A)
 &rst
  ixpk= 1784, nxpk= 10, iat=1309,1244, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   84 THR  HA           84 THR  HN          5.50    (#   1785:10  Unique         2.86, 2.91 A)
 &rst
  ixpk= 1785, nxpk= 10, iat=1246,1244, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87 HIS  HB+          84 THR  HN          5.50    (#   1786:10  Unique         2.10, 3.07 A)
 &rst
  ixpk= 1786, nxpk= 10, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1296,1297,
 &end
#
#   82 ALA  MB           84 THR  HN          5.50    (#   1787:10  Unique         2.59, 3.85 A)
 &rst
  ixpk= 1787, nxpk= 10, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1221,1222,1223,
 &end
#
#   83 MET  HA           84 THR  HN          7.00    (#   1788:10  Unique         3.19, 3.51 A)
 &rst
  ixpk= 1788, nxpk= 10, iat=1229,1244, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   87 HIS  HB-          84 THR  HN          5.50    (#   1790:10  Unique         2.10, 3.07 A)
 &rst
  ixpk= 1790, nxpk= 10, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1296,1297,
 &end
#
#   84 THR  MG2          84 THR  HN          5.50    (#   1791:10  Unique         3.15, 4.18 A)
 &rst
  ixpk= 1791, nxpk= 10, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1250,1251,1252,
 &end
#
#  106 LYS  HA          111 GLY  HN          5.50    (#   1793:10  Unique         4.41, 5.10 A)
 &rst
  ixpk= 1793, nxpk= 10, iat=1625,1711, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  140 GLN  HG+         140 GLN  HE2+        4.50    (#   1794:10  Unique         2.33, 3.46 A)
 &rst
  ixpk= 1794, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2164,2165,
 igr2=2169,2170,
 &end
#
#  136 GLU  HG+         140 GLN  HE2+        5.50    (#   1795:10  Unique         3.91, 7.04 A)
 &rst
  ixpk= 1795, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2087,2088,
 igr2=2169,2170,
 &end
#
#  140 GLN  HB-         140 GLN  HE2+        5.50    (#   1796:10  Unique         2.47, 3.60 A)
 &rst
  ixpk= 1796, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2161,2162,
 igr2=2169,2170,
 &end
#
#  137 LEU  MD1         140 GLN  HE2+        5.50    (#   1797:10  Unique         2.65, 5.60 A)
 &rst
  ixpk= 1797, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2104,2105,2106,
 igr2=2169,2170,
 &end
#
#   72 GLU  HN           76 SER  HN          7.00    (#   1798:10  Unique         5.93, 5.96 A)
 &rst
  ixpk= 1798, nxpk= 10, iat=1064,1130, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  109 VAL  MG1         140 GLN  HE2-        7.00    (#   1801:10  Unique         2.60, 3.82 A)
 &rst
  ixpk= 1801, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1687,1688,1689,
 igr2=2169,2170,
 &end
#
#   92 ALA  HN           93 SER  HN          4.50    (#   1802:10  Unique         2.66, 2.71 A)
 &rst
  ixpk= 1802, nxpk= 10, iat=1386,1396, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95 PHE  HN           93 SER  HN          5.50    (#   1803:10  Unique         4.14, 4.21 A)
 &rst
  ixpk= 1803, nxpk= 10, iat=1424,1396, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1804    93 SER  HN          5.50    (#   1804:10  Single Ambig)
 &rst
  ixpk= 1804, nxpk= 10, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1348,1444,
 &end
#
#   94 GLN  HN           93 SER  HN          3.50    (#   1805:10  Unique         2.66, 2.72 A)
 &rst
  ixpk= 1805, nxpk= 10, iat=1407,1396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   93 SER  HA           93 SER  HN          3.50    (#   1807:10  Unique         2.85, 2.86 A)
 &rst
  ixpk= 1807, nxpk= 10, iat=1398,1396, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   93 SER  HB+          93 SER  HN          3.50    (#   1808:10  Unique         2.49, 3.07 A)
 &rst
  ixpk= 1808, nxpk= 10, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1400,1401,
 &end
#
#    0 AMB  10-2:1809    93 SER  HN          3.50    (#   1809:10  Single Ambig)
 &rst
  ixpk= 1809, nxpk= 10, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1350,1388,
 &end
#
#    0 AMB  10-2:1810    93 SER  HN          5.50    (#   1810:10  Single Ambig)
 &rst
  ixpk= 1810, nxpk= 10, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1369,1311,
 &end
#
#    0 AMB  10-2:1811    93 SER  HN          7.00    (#   1811:10  Single Ambig)
 &rst
  ixpk= 1811, nxpk= 10, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1414,1415,1335,1336,
 &end
#
#    0 AMB  10-2:1812    93 SER  HN          5.50    (#   1812:10  Single Ambig)
 &rst
  ixpk= 1812, nxpk= 10, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1414,1415,1352,1358,1359,1377,1378,
 &end
#
#    0 AMB  10-2:1813    93 SER  HN          5.50    (#   1813:10  Single Ambig)
 &rst
  ixpk= 1813, nxpk= 10, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1371,1411,1412,
 &end
#
#   92 ALA  MB           93 SER  HN          3.50    (#   1814:10  Unique         2.53, 3.45 A)
 &rst
  ixpk= 1814, nxpk= 10, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1390,1391,1392,
 &end
#
#   94 GLN  HB+          93 SER  HN          7.00    (#   1815:10  Unique         5.29, 5.90 A)
 &rst
  ixpk= 1815, nxpk= 10, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1411,1412,
 &end
#
#    0 AMB  10-2:1816    93 SER  HN          5.50    (#   1816:10  Single Ambig)
 &rst
  ixpk= 1816, nxpk= 10, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1373,1374,1375,1458,1459,1361,1362,1363,
 &end
#
#   90 ILE  QG2          93 SER  HN          7.00    (#   1817:10  Unique         5.09, 5.64 A)
 &rst
  ixpk= 1817, nxpk= 10, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1354,1355,1356,
 &end
#
#    0 AMB  10-2:1818    93 SER  HN          7.00    (#   1818:10  Single Ambig)
 &rst
  ixpk= 1818, nxpk= 10, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 578, 579, 580,1564,1565,1566,
 &end
#
#   75 GLU  HA           76 SER  HN          5.50    (#   1820:10  Unique         3.51, 3.55 A)
 &rst
  ixpk= 1820, nxpk= 10, iat=1117,1130, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1821    76 SER  HN          4.50    (#   1821:10  Single Ambig)
 &rst
  ixpk= 1821, nxpk= 10, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1122,1123,1122,1123,
 &end
#
#    0 AMB  10-2:1822    76 SER  HN          7.00    (#   1822:10  Single Ambig)
 &rst
  ixpk= 1822, nxpk= 10, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1086,1083,1084,
 &end
#
#   75 GLU  HN           76 SER  HN          4.50    (#   1823:10  Unique         2.54, 2.61 A)
 &rst
  ixpk= 1823, nxpk= 10, iat=1115,1130, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 SER  HA           76 SER  HN          3.50    (#   1825:10  Unique         2.85, 2.87 A)
 &rst
  ixpk= 1825, nxpk= 10, iat=1132,1130, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1826    76 SER  HN          5.50    (#   1826:10  Single Ambig)
 &rst
  ixpk= 1826, nxpk= 10, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1066,1143,
 &end
#
#    0 AMB  10-2:1827    76 SER  HN          3.50    (#   1827:10  Single Ambig)
 &rst
  ixpk= 1827, nxpk= 10, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1134,1135,1134,1135,
 &end
#
#   75 GLU  HB+          76 SER  HN          4.50    (#   1828:10  Unique         2.81, 3.40 A)
 &rst
  ixpk= 1828, nxpk= 10, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1119,1120,
 &end
#
#   75 GLU  HB-          76 SER  HN          3.50    (#   1829:10  Unique         2.81, 3.40 A)
 &rst
  ixpk= 1829, nxpk= 10, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1119,1120,
 &end
#
#   74 MET  HB-          76 SER  HN          7.00    (#   1830:10  Unique         5.19, 5.67 A)
 &rst
  ixpk= 1830, nxpk= 10, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1102,1103,
 &end
#
#    0 AMB  10-2:1831    76 SER  HN          5.50    (#   1831:10  Single Ambig)
 &rst
  ixpk= 1831, nxpk= 10, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1145,1146,1147,1102,1103,
 &end
#
#   73 LEU  MD1          76 SER  HN          7.00    (#   1832:10  Unique         4.49, 5.64 A)
 &rst
  ixpk= 1832, nxpk= 10, iat=  -1,1130, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1088,1089,1090,
 &end
#
#   95 PHE  QD           93 SER  HN          7.00    (#   1835:10  Unique         6.70, 7.23 A)
 &rst
  ixpk= 1835, nxpk= 10, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1432,1440,
 &end
#
#  126 ILE  HA          129 GLN  HE2+        7.00    (#   1840:10  Unique         2.46, 4.05 A)
 &rst
  ixpk= 1840, nxpk= 10, iat=1904,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1976,1977,
 &end
#
#  129 GLN  HG+         129 GLN  HE2+        5.50    (#   1841:10  Unique         2.26, 3.31 A)
 &rst
  ixpk= 1841, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1971,1972,
 igr2=1976,1977,
 &end
#
#  129 GLN  HG-         129 GLN  HE2+        5.50    (#   1842:10  Unique         2.26, 3.31 A)
 &rst
  ixpk= 1842, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1971,1972,
 igr2=1976,1977,
 &end
#
#  129 GLN  HB-         129 GLN  HE2+        7.00    (#   1843:10  Unique         2.71, 4.22 A)
 &rst
  ixpk= 1843, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1968,1969,
 igr2=1976,1977,
 &end
#
#  129 GLN  HB+         129 GLN  HE2+        7.00    (#   1844:10  Unique         2.71, 4.22 A)
 &rst
  ixpk= 1844, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1968,1969,
 igr2=1976,1977,
 &end
#
#    0 AMB  10-2:1845     0 AMB  10-1:1845   5.50    (#   1845:10  Double Ambig)
 &rst
  ixpk= 1845, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1915,1916,1917,1790,1791,1792,
 igr2=1976,1977,1976,1977,
 &end
#
#  129 GLN  HG+         129 GLN  HE2-        5.50    (#   1852:10  Unique         2.26, 3.31 A)
 &rst
  ixpk= 1852, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1971,1972,
 igr2=1976,1977,
 &end
#
#  129 GLN  HG-         129 GLN  HE2-        5.50    (#   1853:10  Unique         2.26, 3.31 A)
 &rst
  ixpk= 1853, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1971,1972,
 igr2=1976,1977,
 &end
#
#    0 AMB  10-2:1854   129 GLN  HE2-        5.50    (#   1854:10  Single Ambig)
 &rst
  ixpk= 1854, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1915,1916,1917,1790,1791,1792,
 igr2=1976,1977,
 &end
#
#  125 ASP  HB+         129 GLN  HE2+        7.00    (#   1858:10  Unique         3.94, 5.52 A)
 &rst
  ixpk= 1858, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1894,1895,
 igr2=1976,1977,
 &end
#
#   95 PHE  HB-          96 GLY  HN          7.00    (#   1860:10  Unique         3.33, 3.91 A)
 &rst
  ixpk= 1860, nxpk= 10, iat=  -1,1444, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1428,1429,
 &end
#
#   97 ARG  HN           96 GLY  HN          7.00    (#   1861:10  Unique         2.22, 2.42 A)
 &rst
  ixpk= 1861, nxpk= 10, iat=1451,1444, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   95 PHE  HN           96 GLY  HN          5.50    (#   1862:10  Unique         2.63, 2.67 A)
 &rst
  ixpk= 1862, nxpk= 10, iat=1424,1444, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98 TYR  HN           96 GLY  HN          7.00    (#   1863:10  Unique         3.68, 4.10 A)
 &rst
  ixpk= 1863, nxpk= 10, iat=1475,1444, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   95 PHE  QD           96 GLY  HN          5.50    (#   1864:10  Unique         5.08, 5.56 A)
 &rst
  ixpk= 1864, nxpk= 10, iat=  -1,1444, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1432,1440,
 &end
#
#   95 PHE  HA           96 GLY  HN          3.50    (#   1865:10  Unique         3.35, 3.39 A)
 &rst
  ixpk= 1865, nxpk= 10, iat=1426,1444, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   93 SER  HA           96 GLY  HN          7.00    (#   1867:10  Unique         3.55, 3.81 A)
 &rst
  ixpk= 1867, nxpk= 10, iat=1398,1444, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   94 GLN  HA           96 GLY  HN          4.50    (#   1868:10  Unique         4.15, 4.25 A)
 &rst
  ixpk= 1868, nxpk= 10, iat=1409,1444, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92 ALA  HA           96 GLY  HN          5.50    (#   1869:10  Unique         4.01, 4.19 A)
 &rst
  ixpk= 1869, nxpk= 10, iat=1388,1444, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 PHE  HB+          96 GLY  HN          5.50    (#   1870:10  Unique         3.33, 3.91 A)
 &rst
  ixpk= 1870, nxpk= 10, iat=  -1,1444, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1428,1429,
 &end
#
#    0 AMB  10-2:1871   117 LEU  HN          7.00    (#   1871:10  Single Ambig)
 &rst
  ixpk= 1871, nxpk= 10, iat=  -1,1781, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1757,1758,1636,1637,
 &end
#
#  118 ASP  HN          117 LEU  HN          7.00    (#   1878:10  Unique         2.89, 4.30 A)
 &rst
  ixpk= 1878, nxpk= 10, iat=1800,1781, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  116 VAL  HA          117 LEU  HN          3.50    (#   1879:10  Unique         2.41, 2.62 A)
 &rst
  ixpk= 1879, nxpk= 10, iat=1767,1781, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  117 LEU  HA          117 LEU  HN          4.50    (#   1880:10  Unique         2.23, 2.79 A)
 &rst
  ixpk= 1880, nxpk= 10, iat=1783,1781, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  116 VAL  HB          117 LEU  HN          5.50    (#   1881:10  Unique         2.31, 3.44 A)
 &rst
  ixpk= 1881, nxpk= 10, iat=1769,1781, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  117 LEU  HB+         117 LEU  HN          4.50    (#   1882:10  Unique         2.20, 2.67 A)
 &rst
  ixpk= 1882, nxpk= 10, iat=  -1,1781, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1785,1786,
 &end
#
#  117 LEU  HB-         117 LEU  HN          4.50    (#   1883:10  Unique         2.20, 2.67 A)
 &rst
  ixpk= 1883, nxpk= 10, iat=  -1,1781, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1785,1786,
 &end
#
#  117 LEU  HG          117 LEU  HN          5.50    (#   1884:10  Unique         3.69, 4.34 A)
 &rst
  ixpk= 1884, nxpk= 10, iat=1788,1781, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  116 VAL  MG2         117 LEU  HN          5.50    (#   1885:10  Unique         4.16, 4.83 A)
 &rst
  ixpk= 1885, nxpk= 10, iat=  -1,1781, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1775,1776,1777,
 &end
#
#  116 VAL  MG1         117 LEU  HN          4.50    (#   1886:10  Unique         1.85, 3.16 A)
 &rst
  ixpk= 1886, nxpk= 10, iat=  -1,1781, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1771,1772,1773,
 &end
#
#  117 LEU  MD2         117 LEU  HN          5.50    (#   1887:10  Unique         2.28, 5.11 A)
 &rst
  ixpk= 1887, nxpk= 10, iat=  -1,1781, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1794,1795,1796,
 &end
#
#    0 AMB  10-2:1888   117 LEU  HN          5.50    (#   1888:10  Single Ambig)
 &rst
  ixpk= 1888, nxpk= 10, iat=  -1,1781, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1790,1791,1792,1611,
 &end
#
#  121 GLY  HN          122 GLY  HN          2.50    (#   1889:10  Unique         2.52, 2.54 A)
 &rst
  ixpk= 1889, nxpk= 10, iat=1846,1853, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  123 SER  HN          122 GLY  HN          5.50    (#   1890:10  Unique         4.55, 4.56 A)
 &rst
  ixpk= 1890, nxpk= 10, iat=1860,1853, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1894   122 GLY  HN          5.50    (#   1894:10  Single Ambig)
 &rst
  ixpk= 1894, nxpk= 10, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1822, 700,
 &end
#
#  126 ILE  HA          122 GLY  HN          7.00    (#   1895:10  Unique         7.01, 7.05 A)
 &rst
  ixpk= 1895, nxpk= 10, iat=1904,1853, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:1898   122 GLY  HN          7.00    (#   1898:10  Single Ambig)
 &rst
  ixpk= 1898, nxpk= 10, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1906, 728,
 &end
#
#  126 ILE  QG2         122 GLY  HN          5.50    (#   1899:10  Unique         4.16, 5.10 A)
 &rst
  ixpk= 1899, nxpk= 10, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1908,1909,1910,
 &end
#
#   28 GLU  HA           29 GLY  HN          4.50    (#   1909:10  Unique         3.47, 3.50 A)
 &rst
  ixpk= 1909, nxpk= 10, iat= 421, 434, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 GLU  HB-          29 GLY  HN          5.50    (#   1910:10  Unique         3.04, 3.57 A)
 &rst
  ixpk= 1910, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 423, 424,
 &end
#
#    0 AMB  10-2:1911    29 GLY  HN          5.50    (#   1911:10  Single Ambig)
 &rst
  ixpk= 1911, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 423, 424, 426, 427,
 &end
#
#    0 AMB  10-2:1912    29 GLY  HN          5.50    (#   1912:10  Single Ambig)
 &rst
  ixpk= 1912, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 445, 446, 448,
 &end
#
#   30 LEU  HB-          29 GLY  HN          7.00    (#   1913:10  Unique         3.91, 4.79 A)
 &rst
  ixpk= 1913, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 445, 446,
 &end
#
#   30 LEU  MD1          29 GLY  HN          5.50    (#   1914:10  Unique         5.39, 6.56 A)
 &rst
  ixpk= 1914, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 450, 451, 452,
 &end
#
#  108 TYR  HD1         144 GLN  HE2+        7.00    (#   1916:10  Unique         3.25, 4.55 A)
 &rst
  ixpk= 1916, nxpk= 10, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2237,2238,
 &end
#
#    0 AMB  10-2:1917     0 AMB  10-1:1917   7.00    (#   1917:10  Double Ambig)
 &rst
  ixpk= 1917, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=2249,1685,
 igr2=2237,2238,2237,2238,
 &end
#
#   94 GLN  HA           94 GLN  HE2+        7.00    (#   1918:10  Unique         5.71, 6.15 A)
 &rst
  ixpk= 1918, nxpk= 10, iat=1409,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1419,1420,
 &end
#
#   95 PHE  HD2          94 GLN  HE2-        7.00    (#   1921:10  Unique         3.34, 4.02 A)
 &rst
  ixpk= 1921, nxpk= 10, iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1419,1420,
 &end
#
#   94 GLN  HB-          94 GLN  HE2-        7.00    (#   1922:10  Unique         3.74, 4.38 A)
 &rst
  ixpk= 1922, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1411,1412,
 igr2=1419,1420,
 &end
#
#    0 AMB  10-2:1923     0 AMB  10-1:1923   7.00    (#   1923:10  Double Ambig)
 &rst
  ixpk= 1923, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=2225,1697,
 igr2=2237,2238,2237,2238,
 &end
#
#  109 VAL  HA          144 GLN  HE2+        5.50    (#   1925:10  Unique         2.18, 2.96 A)
 &rst
  ixpk= 1925, nxpk= 10, iat=1683,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2237,2238,
 &end
#
#  144 GLN  HA          144 GLN  HE2+        7.00    (#   1926:10  Unique         4.41, 5.10 A)
 &rst
  ixpk= 1926, nxpk= 10, iat=2227,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=2237,2238,
 &end
#
#  144 GLN  HG-         144 GLN  HE2+        4.50    (#   1927:10  Unique         2.25, 3.40 A)
 &rst
  ixpk= 1927, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2232,2233,
 igr2=2237,2238,
 &end
#
#    0 AMB  10-2:1928     0 AMB  10-1:1928   4.50    (#   1928:10  Double Ambig)
 &rst
  ixpk= 1928, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=2232,2233,2229,2230,
 igr2=2237,2238,2237,2238,
 &end
#
#  109 VAL  MG1         144 GLN  HE2+        5.50    (#   1929:10  Unique         2.69, 5.33 A)
 &rst
  ixpk= 1929, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1687,1688,1689,
 igr2=2237,2238,
 &end
#
#    0 AMB  10-2:1930     0 AMB  10-1:1930   5.50    (#   1930:10  Double Ambig)
 &rst
  ixpk= 1930, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=2183,2184,2185,2255,2256,2257,
 igr2=2237,2238,2237,2238,
 &end
#
#  144 GLN  HB-         144 GLN  HE2+        5.50    (#   1931:10  Unique         2.33, 3.82 A)
 &rst
  ixpk= 1931, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2229,2230,
 igr2=2237,2238,
 &end
#
#  109 VAL  MG2         144 GLN  HE2+        7.00    (#   1932:10  Unique         2.54, 5.22 A)
 &rst
  ixpk= 1932, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1691,1692,1693,
 igr2=2237,2238,
 &end
#
#   94 GLN  HG+          94 GLN  HE2+        5.50    (#   1934:10  Unique         2.21, 3.21 A)
 &rst
  ixpk= 1934, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1414,1415,
 igr2=1419,1420,
 &end
#
#    0 AMB  10-2:1935     0 AMB  10-1:1935   4.50    (#   1935:10  Double Ambig)
 &rst
  ixpk= 1935, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1414,1415,1020,1021,
 igr2=1419,1420,1419,1420,
 &end
#
#   94 GLN  HB-          94 GLN  HE2+        7.00    (#   1936:10  Unique         3.74, 4.38 A)
 &rst
  ixpk= 1936, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1411,1412,
 igr2=1419,1420,
 &end
#
#   69 LEU  HB-          94 GLN  HE2+        5.50    (#   1937:10  Unique         3.02, 4.42 A)
 &rst
  ixpk= 1937, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1020,1021,
 igr2=1419,1420,
 &end
#
#    0 AMB  10-2:1938     0 AMB  10-1:1938   7.00    (#   1938:10  Double Ambig)
 &rst
  ixpk= 1938, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.89, r4=12.39,
 igr1= 582, 583, 584,1188,1189,1190,
 igr2=1419,1420,1419,1420,
 &end
#
#  108 TYR  QE          144 GLN  HE2-        5.50    (#   1940:10  Unique         2.89, 5.20 A)
 &rst
  ixpk= 1940, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1670,1675,
 igr2=2237,2238,
 &end
#
#  108 TYR  HD1         144 GLN  HE2-        5.50    (#   1941:10  Unique         3.25, 4.55 A)
 &rst
  ixpk= 1941, nxpk= 10, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2237,2238,
 &end
#
#  109 VAL  HA          144 GLN  HE2-        5.50    (#   1942:10  Unique         2.18, 2.96 A)
 &rst
  ixpk= 1942, nxpk= 10, iat=1683,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=2237,2238,
 &end
#
#  144 GLN  HG-         144 GLN  HE2-        5.50    (#   1943:10  Unique         2.25, 3.40 A)
 &rst
  ixpk= 1943, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2232,2233,
 igr2=2237,2238,
 &end
#
#    0 AMB  10-2:1944   144 GLN  HE2-        7.00    (#   1944:10  Single Ambig)
 &rst
  ixpk= 1944, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=2232,2233,2229,2230,
 igr2=2237,2238,
 &end
#
#    0 AMB  10-2:1945   144 GLN  HE2-        7.00    (#   1945:10  Single Ambig)
 &rst
  ixpk= 1945, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2249,1685,
 igr2=2237,2238,
 &end
#
#  109 VAL  MG2         144 GLN  HE2-        7.00    (#   1946:10  Unique         2.54, 5.22 A)
 &rst
  ixpk= 1946, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1691,1692,1693,
 igr2=2237,2238,
 &end
#
#  109 VAL  MG1         144 GLN  HE2-        5.50    (#   1947:10  Unique         2.69, 5.33 A)
 &rst
  ixpk= 1947, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1687,1688,1689,
 igr2=2237,2238,
 &end
#
#  141 LEU  MD1         144 GLN  HE2-        5.50    (#   1948:10  Unique         3.63, 6.90 A)
 &rst
  ixpk= 1948, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2183,2184,2185,
 igr2=2237,2238,
 &end
#
#    0 AMB  10-2:1949   144 GLN  HE2-        7.00    (#   1949:10  Single Ambig)
 &rst
  ixpk= 1949, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2225,1697,
 igr2=2237,2238,
 &end
#
#  144 GLN  HB-         144 GLN  HE2-        7.00    (#   1950:10  Unique         2.33, 3.82 A)
 &rst
  ixpk= 1950, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2229,2230,
 igr2=2237,2238,
 &end
#
#   94 GLN  HA           94 GLN  HE2-        7.00    (#   1953:10  Unique         5.71, 6.15 A)
 &rst
  ixpk= 1953, nxpk= 10, iat=1409,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1419,1420,
 &end
#
#   94 GLN  HG+          94 GLN  HE2-        5.50    (#   1954:10  Unique         2.21, 3.21 A)
 &rst
  ixpk= 1954, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1414,1415,
 igr2=1419,1420,
 &end
#
#    0 AMB  10-2:1955    94 GLN  HE2-        5.50    (#   1955:10  Single Ambig)
 &rst
  ixpk= 1955, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1414,1415,1020,1021,
 igr2=1419,1420,
 &end
#
#   69 LEU  HB-          94 GLN  HE2-        5.50    (#   1956:10  Unique         3.02, 4.42 A)
 &rst
  ixpk= 1956, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1020,1021,
 igr2=1419,1420,
 &end
#
#    0 AMB  10-2:1957    94 GLN  HE2-        7.00    (#   1957:10  Single Ambig)
 &rst
  ixpk= 1957, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1= 582, 583, 584,1188,1189,1190,
 igr2=1419,1420,
 &end
#
#   66 SER  HB+          45 GLY  HN          5.50    (#   1958:10  Unique         2.42, 3.84 A)
 &rst
  ixpk= 1958, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 984, 985,
 &end
#
#   60 ILE  HB           61 ALA  HN          5.50    (#   1962:10  Unique         2.70, 3.13 A)
 &rst
  ixpk= 1962, nxpk= 10, iat= 889, 904, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 ASN  HN           45 GLY  HN          2.90    (#   1964:10  Unique         1.97, 2.42 A)
 &rst
  ixpk= 1964, nxpk= 10, iat= 643, 657, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   44 ASN  HB+          45 GLY  HN          7.00    (#   1965:10  Unique         3.76, 4.43 A)
 &rst
  ixpk= 1965, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 647, 648,
 &end
#
#    0 AMB  10-2:1966    45 GLY  HN          7.00    (#   1966:10  Single Ambig)
 &rst
  ixpk= 1966, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 612, 613, 614, 159, 160, 161,
 &end
#
#   66 SER  HN           45 GLY  HN          5.50    (#   1967:10  Unique         2.98, 3.49 A)
 &rst
  ixpk= 1967, nxpk= 10, iat= 980, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 LYS  HN           45 GLY  HN          5.50    (#   1968:10  Unique         3.88, 4.47 A)
 &rst
  ixpk= 1968, nxpk= 10, iat= 664, 657, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1970    45 GLY  HN          4.50    (#   1970:10  Single Ambig)
 &rst
  ixpk= 1970, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 645, 639,
 &end
#
#   42 SER  HB+          45 GLY  HN          5.50    (#   1972:10  Unique         2.88, 4.58 A)
 &rst
  ixpk= 1972, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 622, 623,
 &end
#
#   44 ASN  HB-          45 GLY  HN          7.00    (#   1974:10  Unique         3.76, 4.43 A)
 &rst
  ixpk= 1974, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 647, 648,
 &end
#
#   65 VAL  MG1          45 GLY  HN          7.00    (#   1975:10  Unique         2.54, 4.12 A)
 &rst
  ixpk= 1975, nxpk= 10, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 970, 971, 972,
 &end
#
#   62 LEU  HN           61 ALA  HN          7.00    (#   1980:10  Unique         2.90, 3.12 A)
 &rst
  ixpk= 1980, nxpk= 10, iat= 914, 904, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   60 ILE  HN           61 ALA  HN          7.00    (#   1981:10  Unique         1.78, 1.86 A)
 &rst
  ixpk= 1981, nxpk= 10, iat= 885, 904, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   56 PHE  HA           61 ALA  HN          3.50    (#   1983:10  Unique         2.10, 2.25 A)
 &rst
  ixpk= 1983, nxpk= 10, iat= 813, 904, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 ALA  MB           61 ALA  HN          3.50    (#   1984:10  Unique         2.97, 3.56 A)
 &rst
  ixpk= 1984, nxpk= 10, iat=  -1, 904, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 908, 909, 910,
 &end
#
#   60 ILE  HG1+         61 ALA  HN          5.50    (#   1985:10  Unique         4.23, 4.87 A)
 &rst
  ixpk= 1985, nxpk= 10, iat=  -1, 904, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 895, 896,
 &end
#
#   60 ILE  QG2          61 ALA  HN          4.50    (#   1986:10  Unique         3.92, 4.77 A)
 &rst
  ixpk= 1986, nxpk= 10, iat=  -1, 904, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 891, 892, 893,
 &end
#
#    3 ILE  HN            2 ASP  HN          7.00    (#   1993:10  Unique         3.95, 4.14 A)
 &rst
  ixpk= 1993, nxpk= 10, iat=  33,  21, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    2 ASP  HA            2 ASP  HN          5.50    (#   1994:10  Unique         2.90, 2.92 A)
 &rst
  ixpk= 1994, nxpk= 10, iat=  23,  21, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:1995     2 ASP  HN          3.50    (#   1995:10  Single Ambig)
 &rst
  ixpk= 1995, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1155,1156,  25,  26,
 &end
#
#    1 MET  HB-           2 ASP  HN          5.50    (#   1996:10  Unique         4.02, 4.28 A)
 &rst
  ixpk= 1996, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=   8,   9,
 &end
#
#   78 ASP  HN            2 ASP  HN          5.50    (#   1997:10  Unique         2.84, 3.09 A)
 &rst
  ixpk= 1997, nxpk= 10, iat=1151,  21, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    1 MET  HA            2 ASP  HN          3.50    (#   1999:10  Unique         2.22, 2.24 A)
 &rst
  ixpk= 1999, nxpk= 10, iat=   6,  21, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    1 MET  HG+           2 ASP  HN          5.50    (#   2001:10  Unique         2.92, 3.85 A)
 &rst
  ixpk= 2001, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  11,  12,
 &end
#
#  109 VAL  HN          110 THR  HN          4.50    (#   2005:10  Unique         2.16, 2.36 A)
 &rst
  ixpk= 2005, nxpk= 10, iat=1681,1697, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  111 GLY  HN          110 THR  HN          3.50    (#   2006:10  Unique         2.00, 2.19 A)
 &rst
  ixpk= 2006, nxpk= 10, iat=1711,1697, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  110 THR  HA          110 THR  HN          4.50    (#   2007:10  Unique         2.86, 2.96 A)
 &rst
  ixpk= 2007, nxpk= 10, iat=1699,1697, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 THR  HB          110 THR  HN          5.50    (#   2013:10  Unique         3.43, 3.65 A)
 &rst
  ixpk= 2013, nxpk= 10, iat=1701,1697, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  109 VAL  HA          110 THR  HN          5.50    (#   2014:10  Unique         3.55, 3.58 A)
 &rst
  ixpk= 2014, nxpk= 10, iat=1683,1697, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  107 GLU  HA          110 THR  HN          5.50    (#   2015:10  Unique         3.57, 3.95 A)
 &rst
  ixpk= 2015, nxpk= 10, iat=1647,1697, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106 LYS  HA          110 THR  HN          5.50    (#   2016:10  Unique         2.92, 3.47 A)
 &rst
  ixpk= 2016, nxpk= 10, iat=1625,1697, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:2017   110 THR  HN          7.00    (#   2017:10  Single Ambig)
 &rst
  ixpk= 2017, nxpk= 10, iat=  -1,1697, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1722,1723,1662,
 &end
#
#    0 AMB  10-2:2018   110 THR  HN          7.00    (#   2018:10  Single Ambig)
 &rst
  ixpk= 2018, nxpk= 10, iat=  -1,1697, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1649,1650,2161,2162,
 &end
#
#  109 VAL  HB          110 THR  HN          4.50    (#   2019:10  Unique         2.09, 2.76 A)
 &rst
  ixpk= 2019, nxpk= 10, iat=1685,1697, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:2020   110 THR  HN          3.50    (#   2020:10  Single Ambig)
 &rst
  ixpk= 2020, nxpk= 10, iat=  -1,1697, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1703,1704,1705,1691,1692,1693,
 &end
#
#  109 VAL  MG1         110 THR  HN          5.50    (#   2021:10  Unique         3.34, 4.68 A)
 &rst
  ixpk= 2021, nxpk= 10, iat=  -1,1697, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1687,1688,1689,
 &end
#
#  137 LEU  MD1         110 THR  HN          5.50    (#   2022:10  Unique         3.74, 5.38 A)
 &rst
  ixpk= 2022, nxpk= 10, iat=  -1,1697, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=2104,2105,2106,
 &end
#
#  112 SER  HN          110 THR  HN          5.50    (#   2023:10  Unique         3.52, 3.72 A)
 &rst
  ixpk= 2023, nxpk= 10, iat=1718,1697, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  118 ASP  HB-          13 ARG  HE          7.00    (#   2030:10  Unique         4.32, 5.62 A)
 &rst
  ixpk= 2030, nxpk= 10, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1804,1805,
 &end
#
#  115 ASP  HB-          13 ARG  HE          7.00    (#   2031:10  Unique         6.09, 7.31 A)
 &rst
  ixpk= 2031, nxpk= 10, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1757,1758,
 &end
#
#  131 ARG  HA           13 ARG  HE          7.00    (#   2032:10  Unique         5.76, 6.81 A)
 &rst
  ixpk= 2032, nxpk= 10, iat=1997, 191, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  118 ASP  HB-          13 ARG  HE          7.00    (#   2033:10  Unique         4.32, 5.62 A)
 &rst
  ixpk= 2033, nxpk= 10, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1804,1805,
 &end
#
#   13 ARG  HG+          13 ARG  HE          7.00    (#   2034:10  Unique         2.68, 3.32 A)
 &rst
  ixpk= 2034, nxpk= 10, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 185, 186,
 &end
#
#   13 ARG  HD-          13 ARG  HE          5.50    (#   2037:10  Unique         2.28, 2.67 A)
 &rst
  ixpk= 2037, nxpk= 10, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 188, 189,
 &end
#
#  115 ASP  HB-          13 ARG  HE          7.00    (#   2038:10  Unique         6.09, 7.31 A)
 &rst
  ixpk= 2038, nxpk= 10, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1757,1758,
 &end
#
#  117 LEU  HB+          13 ARG  HE          5.50    (#   2039:10  Unique         4.26, 5.46 A)
 &rst
  ixpk= 2039, nxpk= 10, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1785,1786,
 &end
#
#    0 AMB  10-2:2040    13 ARG  HE          7.00    (#   2040:10  Single Ambig)
 &rst
  ixpk= 2040, nxpk= 10, iat=  -1, 191, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1611,1790,1791,1792,
 &end
#
#   93 SER  HN           94 GLN  HN          4.50    (#   2044:10  Unique         2.66, 2.72 A)
 &rst
  ixpk= 2044, nxpk= 10, iat=1396,1407, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88 LYS  HN           87 HIS  HN          4.50    (#   2045:10  Unique         2.64, 2.68 A)
 &rst
  ixpk= 2045, nxpk= 10, iat=1309,1292, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:2046    67 SER  HN          7.00    (#   2046:10  Single Ambig)
 &rst
  ixpk= 2046, nxpk= 10, iat=  -1, 991, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 565, 555,
 &end
#
#  108 TYR  QE          144 GLN  HE2+        5.50    (#   2051:10  Unique         2.89, 5.20 A)
 &rst
  ixpk= 2051, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1670,1675,
 igr2=2237,2238,
 &end
#
#   30 LEU  HN           29 GLY  HN          3.50    (#   2052:10  Unique         2.30, 2.38 A)
 &rst
  ixpk= 2052, nxpk= 10, iat= 441, 434, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:2054    98 TYR  HN          5.50    (#   2054:10  Single Ambig)
 &rst
  ixpk= 2054, nxpk= 10, iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1455,1456,1105,1106,
 &end
#
#  129 GLN  HN          130 THR  HN          4.50    (#   2055:10  Unique         2.57, 2.66 A)
 &rst
  ixpk= 2055, nxpk= 10, iat=1964,1981, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:2056     4 ILE  HN          5.50    (#   2056:10  Single Ambig)
 &rst
  ixpk= 2056, nxpk= 10, iat=  -1,  52, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1207,1208,1209,1172,1173,1174,
 &end
#
#    0 AMB  10-2:2057     4 ILE  HN          7.00    (#   2057:10  Single Ambig)
 &rst
  ixpk= 2057, nxpk= 10, iat=  -1,  52, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1= 524, 525,  15,  16,  17,
 &end
#
#   78 ASP  HB-          77 ALA  HN          7.00    (#   2058:10  Unique         6.07, 6.55 A)
 &rst
  ixpk= 2058, nxpk= 10, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1155,1156,
 &end
#
#   90 ILE  QG2          90 ILE  HN          5.50    (#   2059:10  Unique         4.42, 4.60 A)
 &rst
  ixpk= 2059, nxpk= 10, iat=  -1,1348, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1354,1355,1356,
 &end
#
#  143 LYS  HB+         143 LYS  HN          3.50    (#   2060:10  Unique         2.21, 3.00 A)
 &rst
  ixpk= 2060, nxpk= 10, iat=  -1,2203, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2207,2208,
 &end
#
#    0 AMB  10-2:2061     2 ASP  HN          7.00    (#   2061:10  Single Ambig)
 &rst
  ixpk= 2061, nxpk= 10, iat=  -1,  21, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1145,1146,1147,1170,
 &end
#
#   79 LEU  HN            2 ASP  HN          7.00    (#   2062:10  Unique         3.57, 3.72 A)
 &rst
  ixpk= 2062, nxpk= 10, iat=1163,  21, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   35 ARG  HN            3 ILE  HN          7.00    (#   2063:10  Unique         3.76, 3.91 A)
 &rst
  ixpk= 2063, nxpk= 10, iat= 520,  33, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    2 ASP  HA            3 ILE  HN          3.50    (#   2064:10  Unique         2.19, 2.22 A)
 &rst
  ixpk= 2064, nxpk= 10, iat=  23,  33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   34 VAL  HA            3 ILE  HN          5.50    (#   2065:10  Unique         2.12, 2.27 A)
 &rst
  ixpk= 2065, nxpk= 10, iat= 506,  33, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 ILE  HA            3 ILE  HN          5.50    (#   2066:10  Unique         2.96, 2.97 A)
 &rst
  ixpk= 2066, nxpk= 10, iat=  35,  33, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 ASN  HB+           3 ILE  HN          5.50    (#   2067:10  Unique         3.95, 4.80 A)
 &rst
  ixpk= 2067, nxpk= 10, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 494, 495,
 &end
#
#    0 AMB  10-2:2068     3 ILE  HN          7.00    (#   2068:10  Single Ambig)
 &rst
  ixpk= 2068, nxpk= 10, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 508,   8,   9,
 &end
#
#    0 AMB  10-2:2069     3 ILE  HN          7.00    (#   2069:10  Single Ambig)
 &rst
  ixpk= 2069, nxpk= 10, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1= 524, 525,  15,  16,  17,
 &end
#
#    0 AMB  10-2:2070     3 ILE  HN          4.50    (#   2070:10  Single Ambig)
 &rst
  ixpk= 2070, nxpk= 10, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  43,  44,  37,
 &end
#
#    3 ILE  HG1+          3 ILE  HN          5.50    (#   2071:10  Unique         2.34, 3.08 A)
 &rst
  ixpk= 2071, nxpk= 10, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  43,  44,
 &end
#
#    3 ILE  QG2           3 ILE  HN          5.50    (#   2072:10  Unique         4.49, 4.70 A)
 &rst
  ixpk= 2072, nxpk= 10, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  39,  40,  41,
 &end
#
#    1 MET  HA            3 ILE  HN          7.00    (#   2073:10  Unique         5.74, 5.99 A)
 &rst
  ixpk= 2073, nxpk= 10, iat=   6,  33, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    3 ILE  HN            4 ILE  HN          7.00    (#   2074:10  Unique         4.45, 4.49 A)
 &rst
  ixpk= 2074, nxpk= 10, iat=  33,  52, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    3 ILE  HN            4 ILE  HN          7.00    (#   2075:10  Unique         4.45, 4.49 A)
 &rst
  ixpk= 2075, nxpk= 10, iat=  33,  52, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:2076     4 ILE  HN          7.00    (#   2076:10  Single Ambig)
 &rst
  ixpk= 2076, nxpk= 10, iat=  -1,  52, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 520,  91,
 &end
#
#    0 AMB  10-2:2077     4 ILE  HN          7.00    (#   2077:10  Single Ambig)
 &rst
  ixpk= 2077, nxpk= 10, iat=  -1,  52, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 527, 528, 524, 525,1536,1537,
 &end
#
#   36 SER  HB-           5 PHE  HN          7.00    (#   2079:10  Unique         3.40, 4.97 A)
 &rst
  ixpk= 2079, nxpk= 10, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 548, 549,
 &end
#
#    0 AMB  10-2:2080     5 PHE  HN          7.00    (#   2080:10  Single Ambig)
 &rst
  ixpk= 2080, nxpk= 10, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1= 524, 525,1238,1239,1240,
 &end
#
#    0 AMB  10-2:2081     5 PHE  HN          7.00    (#   2081:10  Single Ambig)
 &rst
  ixpk= 2081, nxpk= 10, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 559, 560, 561,1170,
 &end
#
#    4 ILE  HG1-          5 PHE  HN          7.00    (#   2082:10  Unique         4.65, 4.96 A)
 &rst
  ixpk= 2082, nxpk= 10, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  62,  63,
 &end
#
#   81 LEU  HB-           5 PHE  HN          7.00    (#   2083:10  Unique         5.19, 5.39 A)
 &rst
  ixpk= 2083, nxpk= 10, iat=  -1,  71, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1202,1203,
 &end
#
#   95 PHE  QD           92 ALA  HN          7.00    (#   2084:10  Unique         5.40, 6.70 A)
 &rst
  ixpk= 2084, nxpk= 10, iat=  -1,1386, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1432,1440,
 &end
#
#   94 GLN  HN           92 ALA  HN          7.00    (#   2085:10  Unique         4.23, 4.26 A)
 &rst
  ixpk= 2085, nxpk= 10, iat=1407,1386, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:2086     0 AMB  10-1:2086   7.00    (#   2086:10  Double Ambig)
 &rst
  ixpk= 2086, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=2065,1217,
 igr2=2019,  91,
 &end
#
#    0 AMB  10-2:2087     0 AMB  10-1:2087   5.50    (#   2087:10  Double Ambig)
 &rst
  ixpk= 2087, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1198,2046,
 igr2=  91,2019,
 &end
#
#  133 GLU  HN          132 ASP  HN          4.50    (#   2088:10  Unique         2.58, 2.65 A)
 &rst
  ixpk= 2088, nxpk= 10, iat=2031,2019, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 CYS  HN            6 VAL  HN          7.00    (#   2089:10  Unique         4.03, 4.26 A)
 &rst
  ixpk= 2089, nxpk= 10, iat= 107,  91, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    6 VAL  HA            6 VAL  HN          7.00    (#   2091:10  Unique         2.93, 2.94 A)
 &rst
  ixpk= 2091, nxpk= 10, iat=  93,  91, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:2093   132 ASP  HN          4.50    (#   2093:10  Single Ambig)
 &rst
  ixpk= 2093, nxpk= 10, iat=  -1,2019, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1966,2033,
 &end
#
#    0 AMB  10-2:2094   132 ASP  HN          5.50    (#   2094:10  Single Ambig)
 &rst
  ixpk= 2094, nxpk= 10, iat=  -1,2019, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1997,1944,
 &end
#
#    7 CYS  HB+           6 VAL  HN          6.00    (#   2095:10  Unique         4.62, 5.84 A)
 &rst
  ixpk= 2095, nxpk= 10, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 111, 112,
 &end
#
#  132 ASP  HB+         132 ASP  HN          4.50    (#   2096:10  Unique         2.42, 2.53 A)
 &rst
  ixpk= 2096, nxpk= 10, iat=  -1,2019, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2023,2024,
 &end
#
#  131 ARG  HB+         132 ASP  HN          5.50    (#   2097:10  Unique         2.88, 4.05 A)
 &rst
  ixpk= 2097, nxpk= 10, iat=  -1,2019, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1999,2000,
 &end
#
#    0 AMB  10-2:2098   132 ASP  HN          5.50    (#   2098:10  Single Ambig)
 &rst
  ixpk= 2098, nxpk= 10, iat=  -1,2019, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2035,2036,2038,2039,
 &end
#
#    0 AMB  10-2:2099   132 ASP  HN          5.50    (#   2099:10  Single Ambig)
 &rst
  ixpk= 2099, nxpk= 10, iat=  -1,2019, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=2050,2051,2069,2070,1968,1969,
 &end
#
#  131 ARG  QG          132 ASP  HN          4.50    (#   2100:10  Unique         2.42, 3.08 A)
 &rst
  ixpk= 2100, nxpk= 10, iat=  -1,2019, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2002,2003,
 &end
#
#    0 AMB  10-2:2101     0 AMB  10-1:2101   7.00    (#   2101:10  Double Ambig)
 &rst
  ixpk= 2101, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1=1231,1232,1955,1956,
 igr2=  91,2019,
 &end
#
#  132 ASP  HA          132 ASP  HN          4.50    (#   2102:10  Unique         2.85, 2.86 A)
 &rst
  ixpk= 2102, nxpk= 10, iat=2021,2019, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:2106     7 CYS  HN          7.00    (#   2106:10  Single Ambig)
 &rst
  ixpk= 2106, nxpk= 10, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
 igr1= 143, 144,1234,1235,1238,1239,1240,
 &end
#
#    6 VAL  HB            7 CYS  HN          7.00    (#   2107:10  Unique         3.65, 3.95 A)
 &rst
  ixpk= 2107, nxpk= 10, iat=  95, 107, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:2108     7 CYS  HN          7.00    (#   2108:10  Single Ambig)
 &rst
  ixpk= 2108, nxpk= 10, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 559, 560, 561, 612, 613, 614,
 &end
#
#   39 VAL  MG1           7 CYS  HN          7.00    (#   2109:10  Unique         5.68, 7.80 A)
 &rst
  ixpk= 2109, nxpk= 10, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 578, 579, 580,
 &end
#
#    4 ILE  QG2           7 CYS  HN          7.00    (#   2110:10  Unique         5.86, 6.84 A)
 &rst
  ixpk= 2110, nxpk= 10, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  58,  59,  60,
 &end
#
#    0 AMB  10-2:2111     7 CYS  HN          7.00    (#   2111:10  Single Ambig)
 &rst
  ixpk= 2111, nxpk= 10, iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  91,1227,
 &end
#
#   41 ALA  MB           10 ASN  HN          7.00    (#   2115:10  Unique         2.21, 4.35 A)
 &rst
  ixpk= 2115, nxpk= 10, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 612, 613, 614,
 &end
#
#   10 ASN  HB-          10 ASN  HN          3.00    (#   2116:10  Unique         2.39, 3.35 A)
 &rst
  ixpk= 2116, nxpk= 10, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 143, 144,
 &end
#
#   15 PRO  HA           16 MET  HN          7.00    (#   2117:10  Unique         3.55, 3.56 A)
 &rst
  ixpk= 2117, nxpk= 10, iat= 223, 227, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   15 PRO  HD+          16 MET  HN          7.00    (#   2118:10  Unique         2.66, 3.43 A)
 &rst
  ixpk= 2118, nxpk= 10, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 214, 215,
 &end
#
#   16 MET  HB-          16 MET  HN          5.50    (#   2119:10  Unique         2.51, 3.09 A)
 &rst
  ixpk= 2119, nxpk= 10, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 231, 232,
 &end
#
#   51 ALA  MB           16 MET  HN          7.00    (#   2120:10  Unique         4.61, 5.58 A)
 &rst
  ixpk= 2120, nxpk= 10, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 745, 746, 747,
 &end
#
#   15 PRO  HG-          16 MET  HN          7.00    (#   2121:10  Unique         2.65, 3.72 A)
 &rst
  ixpk= 2121, nxpk= 10, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 217, 218,
 &end
#
#   15 PRO  HB-          16 MET  HN          7.00    (#   2122:10  Unique         2.97, 3.99 A)
 &rst
  ixpk= 2122, nxpk= 10, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 220, 221,
 &end
#
#   17 ALA  MB           16 MET  HN          7.00    (#   2123:10  Unique         4.71, 5.25 A)
 &rst
  ixpk= 2123, nxpk= 10, iat=  -1, 227, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 248, 249, 250,
 &end
#
#   17 ALA  HN           16 MET  HN          5.50    (#   2125:10  Unique         2.45, 2.52 A)
 &rst
  ixpk= 2125, nxpk= 10, iat= 244, 227, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:2129    17 ALA  HN          5.50    (#   2129:10  Single Ambig)
 &rst
  ixpk= 2129, nxpk= 10, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 229, 548, 549,
 &end
#
#   18 GLU  HA           17 ALA  HN          7.00    (#   2130:10  Unique         5.24, 5.32 A)
 &rst
  ixpk= 2130, nxpk= 10, iat= 256, 244, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   13 ARG  HA           17 ALA  HN          7.00    (#   2131:10  Unique         4.06, 4.35 A)
 &rst
  ixpk= 2131, nxpk= 10, iat= 180, 244, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:2132    17 ALA  HN          7.00    (#   2132:10  Single Ambig)
 &rst
  ixpk= 2132, nxpk= 10, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1= 283, 284,1987,1988,1989,
 &end
#
#    0 AMB  10-2:2133    18 GLU  HN          7.00    (#   2133:10  Single Ambig)
 &rst
  ixpk= 2133, nxpk= 10, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 9.90, r4=10.40,
 igr1= 231, 232, 185, 186, 328, 329, 325, 326,
 &end
#
#    0 AMB  10-2:2134    18 GLU  HN          7.00    (#   2134:10  Single Ambig)
 &rst
  ixpk= 2134, nxpk= 10, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1= 220, 221, 510, 511, 512,
 &end
#
#   17 ALA  HA           19 ALA  HN          7.00    (#   2135:10  Unique         4.45, 4.46 A)
 &rst
  ixpk= 2135, nxpk= 10, iat= 246, 269, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   18 GLU  HB+          19 ALA  HN          5.50    (#   2136:10  Unique         2.42, 3.34 A)
 &rst
  ixpk= 2136, nxpk= 10, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 258, 259,
 &end
#
#    0 AMB  10-2:2137     0 AMB  10-1:2137   5.50    (#   2137:10  Double Ambig)
 &rst
  ixpk= 2137, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 328, 329, 325, 326,2271,2272,
 igr2= 269,2283,
 &end
#
#   17 ALA  MB           19 ALA  HN          5.50    (#   2138:10  Unique         5.18, 5.68 A)
 &rst
  ixpk= 2138, nxpk= 10, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 248, 249, 250,
 &end
#
#    0 AMB  10-2:2139    19 ALA  HN          5.50    (#   2139:10  Single Ambig)
 &rst
  ixpk= 2139, nxpk= 10, iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 286, 891, 892, 893,
 &end
#
#   18 GLU  HN           20 LEU  HN          7.00    (#   2140:10  Unique         4.22, 4.25 A)
 &rst
  ixpk= 2140, nxpk= 10, iat= 254, 279, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   17 ALA  HN           20 LEU  HN          7.00    (#   2141:10  Unique         4.70, 4.75 A)
 &rst
  ixpk= 2141, nxpk= 10, iat= 244, 279, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   16 MET  HA           20 LEU  HN          7.00    (#   2143:10  Unique         3.92, 4.00 A)
 &rst
  ixpk= 2143, nxpk= 10, iat= 229, 279, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   21 PHE  HB+          20 LEU  HN          7.00    (#   2144:10  Unique         4.95, 5.13 A)
 &rst
  ixpk= 2144, nxpk= 10, iat=  -1, 279, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 302, 303,
 &end
#
#    0 AMB  10-2:2145    20 LEU  HN          7.00    (#   2145:10  Single Ambig)
 &rst
  ixpk= 2145, nxpk= 10, iat=  -1, 279, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1= 261, 262, 238, 239, 240,
 &end
#
#   17 ALA  MB           20 LEU  HN          7.00    (#   2146:10  Unique         5.46, 5.68 A)
 &rst
  ixpk= 2146, nxpk= 10, iat=  -1, 279, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 248, 249, 250,
 &end
#
#  138 LEU  MD2          20 LEU  HN          7.00    (#   2147:10  Unique         4.25, 4.75 A)
 &rst
  ixpk= 2147, nxpk= 10, iat=  -1, 279, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=2127,2128,2129,
 &end
#
#    0 AMB  10-2:2148    20 LEU  HN          7.00    (#   2148:10  Single Ambig)
 &rst
  ixpk= 2148, nxpk= 10, iat=  -1, 279, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=2118,2119, 355,
 &end
#
#    0 AMB  10-2:2149    20 LEU  HN          7.00    (#   2149:10  Single Ambig)
 &rst
  ixpk= 2149, nxpk= 10, iat=  -1, 279, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 258, 259,2050,2051,
 &end
#
#   19 ALA  HA           21 PHE  HN          5.50    (#   2150:10  Unique         4.45, 4.46 A)
 &rst
  ixpk= 2150, nxpk= 10, iat= 271, 298, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 ALA  HN           21 PHE  HN          7.00    (#   2152:10  Unique         4.06, 4.10 A)
 &rst
  ixpk= 2152, nxpk= 10, iat= 269, 298, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   18 GLU  HB+          21 PHE  HN          7.00    (#   2153:10  Unique         5.52, 5.70 A)
 &rst
  ixpk= 2153, nxpk= 10, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 258, 259,
 &end
#
#   17 ALA  MB           21 PHE  HN          7.00    (#   2154:10  Unique         4.82, 5.48 A)
 &rst
  ixpk= 2154, nxpk= 10, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 248, 249, 250,
 &end
#
#    0 AMB  10-2:2155    21 PHE  HN          5.50    (#   2155:10  Single Ambig)
 &rst
  ixpk= 2155, nxpk= 10, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=2118,2119, 355,
 &end
#
#    0 AMB  10-2:2156    21 PHE  HN          7.00    (#   2156:10  Single Ambig)
 &rst
  ixpk= 2156, nxpk= 10, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 261, 262, 508,
 &end
#
#    0 AMB  10-2:2157    21 PHE  HN          5.50    (#   2157:10  Single Ambig)
 &rst
  ixpk= 2157, nxpk= 10, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=2118,2119, 322, 323,
 &end
#
#   24 ILE  HN           22 LYS  HN          7.00    (#   2158:10  Unique         4.12, 4.18 A)
 &rst
  ixpk= 2158, nxpk= 10, iat= 351, 318, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  138 LEU  MD2          22 LYS  HN          7.00    (#   2159:10  Unique         5.10, 6.07 A)
 &rst
  ixpk= 2159, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=2127,2128,2129,
 &end
#
#   21 PHE  HD2          22 LYS  HN          7.00    (#   2160:10  Unique         4.06, 4.22 A)
 &rst
  ixpk= 2160, nxpk= 10, iat= 314, 318, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   23 SER  HN           22 LYS  HN          5.50    (#   2161:10  Unique         2.70, 2.74 A)
 &rst
  ixpk= 2161, nxpk= 10, iat= 340, 318, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:2162    22 LYS  HN          5.50    (#   2162:10  Single Ambig)
 &rst
  ixpk= 2162, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 320, 256,
 &end
#
#   21 PHE  HB+          22 LYS  HN          5.50    (#   2163:10  Unique         2.84, 3.44 A)
 &rst
  ixpk= 2163, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 302, 303,
 &end
#
#    0 AMB  10-2:2164    22 LYS  HN          5.50    (#   2164:10  Single Ambig)
 &rst
  ixpk= 2164, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 302, 303, 331, 332,
 &end
#
#    0 AMB  10-2:2165    22 LYS  HN          5.50    (#   2165:10  Single Ambig)
 &rst
  ixpk= 2165, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 261, 262, 508,
 &end
#
#   22 LYS  HG-          22 LYS  HN          4.50    (#   2166:10  Unique         2.46, 3.17 A)
 &rst
  ixpk= 2166, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 325, 326,
 &end
#
#   22 LYS  HB-          22 LYS  HN          4.50    (#   2167:10  Unique         2.32, 2.99 A)
 &rst
  ixpk= 2167, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 322, 323,
 &end
#
#   34 VAL  MG2          22 LYS  HN          5.50    (#   2168:10  Unique         3.28, 4.26 A)
 &rst
  ixpk= 2168, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 514, 515, 516,
 &end
#
#   34 VAL  MG1          22 LYS  HN          7.00    (#   2169:10  Unique         4.77, 5.75 A)
 &rst
  ixpk= 2169, nxpk= 10, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 510, 511, 512,
 &end
#
#    0 AMB  10-2:2171    23 SER  HN          7.00    (#   2171:10  Single Ambig)
 &rst
  ixpk= 2171, nxpk= 10, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 331, 332, 302, 303,
 &end
#
#    0 AMB  10-2:2173    23 SER  HN          7.00    (#   2173:10  Single Ambig)
 &rst
  ixpk= 2173, nxpk= 10, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1= 895, 896, 374, 375, 376,
 &end
#
#    0 AMB  10-2:2174    23 SER  HN          7.00    (#   2174:10  Single Ambig)
 &rst
  ixpk= 2174, nxpk= 10, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 273, 274, 275, 514, 515, 516,
 &end
#
#    0 AMB  10-2:2176    24 ILE  HN          7.00    (#   2176:10  Single Ambig)
 &rst
  ixpk= 2176, nxpk= 10, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 380, 395,
 &end
#
#   24 ILE  HG1+         24 ILE  HN          5.50    (#   2177:10  Unique         2.45, 3.12 A)
 &rst
  ixpk= 2177, nxpk= 10, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 361, 362,
 &end
#
#   21 PHE  QE           24 ILE  HN          7.00    (#   2178:10  Unique         6.53, 6.84 A)
 &rst
  ixpk= 2178, nxpk= 10, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 308, 312,
 &end
#
#   21 PHE  HD2          24 ILE  HN          7.00    (#   2179:10  Unique         5.67, 5.87 A)
 &rst
  ixpk= 2179, nxpk= 10, iat= 314, 351, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   22 LYS  HA           24 ILE  HN          7.00    (#   2180:10  Unique         4.45, 4.49 A)
 &rst
  ixpk= 2180, nxpk= 10, iat= 320, 351, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:2181    24 ILE  HN          7.00    (#   2181:10  Single Ambig)
 &rst
  ixpk= 2181, nxpk= 10, iat=  -1, 351, r1= 1.30, r2= 1.80, r3=10.44, r4=10.94,
 igr1=2197,2198,2199, 325, 326, 895, 896, 856, 857, 445,
       446,
 &end
#
#    0 AMB  10-2:2182    24 ILE  HN          5.50    (#   2182:10  Single Ambig)
 &rst
  ixpk= 2182, nxpk= 10, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 322, 323,2118,2119, 399, 400,
 &end
#
#    0 AMB  10-2:2183    25 ALA  HN          7.00    (#   2183:10  Single Ambig)
 &rst
  ixpk= 2183, nxpk= 10, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 402, 403, 325, 326,
 &end
#
#   21 PHE  QE           25 ALA  HN          7.00    (#   2184:10  Unique         4.70, 5.46 A)
 &rst
  ixpk= 2184, nxpk= 10, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 308, 312,
 &end
#
#    0 AMB  10-2:2185    26 GLU  HN          5.50    (#   2185:10  Single Ambig)
 &rst
  ixpk= 2185, nxpk= 10, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 351, 419,
 &end
#
#  140 GLN  HG-         136 GLU  HN          7.00    (#   2188:10  Unique         6.88, 7.89 A)
 &rst
  ixpk= 2188, nxpk= 10, iat=  -1,2080, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2164,2165,
 &end
#
#    0 AMB  10-2:2189     0 AMB  10-1:2189   5.50    (#   2189:10  Double Ambig)
 &rst
  ixpk= 2189, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 399, 400, 322, 323,2140,2141,2118,2119,
 igr2= 380,2080,
 &end
#
#    0 AMB  10-2:2190    26 GLU  HN          7.00    (#   2190:10  Single Ambig)
 &rst
  ixpk= 2190, nxpk= 10, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 402, 403, 423, 424,
 &end
#
#    0 AMB  10-2:2191     0 AMB  10-1:2191   7.00    (#   2191:10  Double Ambig)
 &rst
  ixpk= 2191, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=2140,2141, 355,
 igr2=2080, 380,
 &end
#
#   30 LEU  HB-          26 GLU  HN          7.00    (#   2192:10  Unique         5.27, 5.91 A)
 &rst
  ixpk= 2192, nxpk= 10, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 445, 446,
 &end
#
#    0 AMB  10-2:2193     0 AMB  10-1:2193   5.50    (#   2193:10  Double Ambig)
 &rst
  ixpk= 2193, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1= 357, 358, 359, 364, 365, 366, 484, 485, 486,2123,
      2124,2125, 450, 451, 452,
 igr2= 380,2080,
 &end
#
#   25 ALA  HN           27 ARG  HN          7.00    (#   2194:10  Unique         4.07, 4.13 A)
 &rst
  ixpk= 2194, nxpk= 10, iat= 370, 395, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   27 ARG  HD+          27 ARG  HN          5.50    (#   2195:10  Unique         2.73, 4.41 A)
 &rst
  ixpk= 2195, nxpk= 10, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 405, 406,
 &end
#
#   25 ALA  HN           28 GLU  HN          7.00    (#   2198:10  Unique         4.61, 4.70 A)
 &rst
  ixpk= 2198, nxpk= 10, iat= 370, 419, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   27 ARG  HD+          28 GLU  HN          7.00    (#   2199:10  Unique         4.83, 5.43 A)
 &rst
  ixpk= 2199, nxpk= 10, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 405, 406,
 &end
#
#   25 ALA  MB           28 GLU  HN          7.00    (#   2200:10  Unique         5.33, 5.59 A)
 &rst
  ixpk= 2200, nxpk= 10, iat=  -1, 419, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 374, 375, 376,
 &end
#
#   27 ARG  HB+          29 GLY  HN          7.00    (#   2201:10  Unique         4.92, 5.44 A)
 &rst
  ixpk= 2201, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 399, 400,
 &end
#
#    0 AMB  10-2:2202    29 GLY  HN          7.00    (#   2202:10  Single Ambig)
 &rst
  ixpk= 2202, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 426, 427, 387, 388,
 &end
#
#   25 ALA  HA           29 GLY  HN          5.50    (#   2203:10  Unique         3.88, 3.98 A)
 &rst
  ixpk= 2203, nxpk= 10, iat= 372, 434, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:2206    29 GLY  HN          5.50    (#   2206:10  Single Ambig)
 &rst
  ixpk= 2206, nxpk= 10, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 382, 397,
 &end
#
#   27 ARG  HN           30 LEU  HN          5.50    (#   2208:10  Unique         5.43, 5.48 A)
 &rst
  ixpk= 2208, nxpk= 10, iat= 395, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 ALA  MB           30 LEU  HN          5.50    (#   2209:10  Unique         3.38, 4.36 A)
 &rst
  ixpk= 2209, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 374, 375, 376,
 &end
#
#  145 LEU  HB+          30 LEU  HN          7.00    (#   2210:10  Unique         7.57, 7.90 A)
 &rst
  ixpk= 2210, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2246,2247,
 &end
#
#   28 GLU  HB-          30 LEU  HN          5.50    (#   2212:10  Unique         2.91, 3.57 A)
 &rst
  ixpk= 2212, nxpk= 10, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 423, 424,
 &end
#
#   32 VAL  HB           32 VAL  HN          5.50    (#   2213:10  Unique         3.87, 3.91 A)
 &rst
  ixpk= 2213, nxpk= 10, iat= 478, 474, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 VAL  MG2          34 VAL  HN          5.50    (#   2214:10  Unique         2.34, 3.48 A)
 &rst
  ixpk= 2214, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 514, 515, 516,
 &end
#
#    0 AMB  10-2:2215    34 VAL  HN          7.00    (#   2215:10  Single Ambig)
 &rst
  ixpk= 2215, nxpk= 10, iat=  -1, 504, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1= 325, 326, 527, 528,
 &end
#
#    0 AMB  10-2:2216     0 AMB  10-1:2216   7.00    (#   2216:10  Double Ambig)
 &rst
  ixpk= 2216, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.87, r4=11.37,
 igr1= 478,1649,1650,1536,1537, 258, 259,
 igr2= 504,1570,
 &end
#
#   35 ARG  HN           34 VAL  HN          7.00    (#   2218:10  Unique         4.29, 4.33 A)
 &rst
  ixpk= 2218, nxpk= 10, iat= 520, 504, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    2 ASP  HA           34 VAL  HN          7.00    (#   2219:10  Unique         4.76, 4.94 A)
 &rst
  ixpk= 2219, nxpk= 10, iat=  23, 504, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    2 ASP  HA           35 ARG  HN          7.00    (#   2220:10  Unique         5.67, 5.75 A)
 &rst
  ixpk= 2220, nxpk= 10, iat=  23, 520, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   36 SER  HA           35 ARG  HN          7.00    (#   2221:10  Unique         4.61, 4.69 A)
 &rst
  ixpk= 2221, nxpk= 10, iat= 546, 520, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   35 ARG  HA           35 ARG  HN          4.50    (#   2222:10  Unique         2.94, 2.95 A)
 &rst
  ixpk= 2222, nxpk= 10, iat= 522, 520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 ILE  QD1          35 ARG  HN          7.00    (#   2223:10  Unique         5.97, 6.89 A)
 &rst
  ixpk= 2223, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  46,  47,  48,
 &end
#
#    3 ILE  QG2          35 ARG  HN          7.00    (#   2224:10  Unique         4.54, 5.51 A)
 &rst
  ixpk= 2224, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=  39,  40,  41,
 &end
#
#   73 LEU  MD1          35 ARG  HN          5.50    (#   2225:10  Unique         5.81, 6.94 A)
 &rst
  ixpk= 2225, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1088,1089,1090,
 &end
#
#    0 AMB  10-2:2226    35 ARG  HN          5.50    (#   2226:10  Single Ambig)
 &rst
  ixpk= 2226, nxpk= 10, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 508, 261, 262,
 &end
#
#    0 AMB  10-2:2232    36 SER  HN          7.00    (#   2232:10  Single Ambig)
 &rst
  ixpk= 2232, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 995, 996, 256,
 &end
#
#   36 SER  HB+          36 SER  HN          7.00    (#   2233:10  Unique         2.51, 3.37 A)
 &rst
  ixpk= 2233, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 548, 549,
 &end
#
#   35 ARG  HD+          36 SER  HN          7.00    (#   2234:10  Unique         4.00, 5.29 A)
 &rst
  ixpk= 2234, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 530, 531,
 &end
#
#    0 AMB  10-2:2235    36 SER  HN          7.00    (#   2235:10  Single Ambig)
 &rst
  ixpk= 2235, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1=1088,1089,1090, 220, 221,
 &end
#
#   73 LEU  MD2          36 SER  HN          7.00    (#   2236:10  Unique         4.44, 5.68 A)
 &rst
  ixpk= 2236, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1092,1093,1094,
 &end
#
#    0 AMB  10-2:2237    36 SER  HN          7.00    (#   2237:10  Single Ambig)
 &rst
  ixpk= 2237, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1= 559, 560, 561, 220, 221,
 &end
#
#    4 ILE  HG1-         36 SER  HN          7.00    (#   2238:10  Unique         5.15, 6.10 A)
 &rst
  ixpk= 2238, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  62,  63,
 &end
#
#    0 AMB  10-2:2239    36 SER  HN          7.00    (#   2239:10  Single Ambig)
 &rst
  ixpk= 2239, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 514, 515, 516, 217, 218,  56,
 &end
#
#   18 GLU  HB+          36 SER  HN          7.00    (#   2240:10  Unique         4.39, 5.01 A)
 &rst
  ixpk= 2240, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 258, 259,
 &end
#
#   35 ARG  HG-          36 SER  HN          7.00    (#   2241:10  Unique         3.57, 4.42 A)
 &rst
  ixpk= 2241, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 527, 528,
 &end
#
#   35 ARG  HB-          36 SER  HN          5.50    (#   2242:10  Unique         2.16, 2.95 A)
 &rst
  ixpk= 2242, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 524, 525,
 &end
#
#   35 ARG  HB+          36 SER  HN          4.50    (#   2243:10  Unique         2.16, 2.95 A)
 &rst
  ixpk= 2243, nxpk= 10, iat=  -1, 544, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 524, 525,
 &end
#
#  123 SER  HN          128 LYS  HN          7.00    (#   2244:10  Unique         7.06, 7.07 A)
 &rst
  ixpk= 2244, nxpk= 10, iat=1860,1942, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    5 PHE  QD           37 ALA  HN          7.00    (#   2245:10  Unique         5.91, 6.73 A)
 &rst
  ixpk= 2245, nxpk= 10, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  79,  87,
 &end
#
#  126 ILE  HA          128 LYS  HN          5.50    (#   2248:10  Unique         4.22, 4.31 A)
 &rst
  ixpk= 2248, nxpk= 10, iat=1904,1942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 PRO  HB-          38 GLY  HN          7.00    (#   2250:10  Unique         4.97, 5.13 A)
 &rst
  ixpk= 2250, nxpk= 10, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1009,1010,
 &end
#
#   68 PRO  HB+          38 GLY  HN          7.00    (#   2251:10  Unique         4.97, 5.13 A)
 &rst
  ixpk= 2251, nxpk= 10, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1009,1010,
 &end
#
#   67 SER  HB-          38 GLY  HN          7.00    (#   2252:10  Unique         4.86, 5.55 A)
 &rst
  ixpk= 2252, nxpk= 10, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 995, 996,
 &end
#
#   41 ALA  HN           38 GLY  HN          7.00    (#   2253:10  Unique         3.83, 4.18 A)
 &rst
  ixpk= 2253, nxpk= 10, iat= 608, 565, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:2254    39 VAL  HN          7.00    (#   2254:10  Single Ambig)
 &rst
  ixpk= 2254, nxpk= 10, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 565, 555,
 &end
#
#    6 VAL  MG2          39 VAL  HN          7.00    (#   2255:10  Unique         2.68, 3.50 A)
 &rst
  ixpk= 2255, nxpk= 10, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 101, 102, 103,
 &end
#
#   39 VAL  HN           40 PHE  HN          2.70    (#   2256:10  Unique         2.61, 2.69 A)
 &rst
  ixpk= 2256, nxpk= 10, iat= 572, 588, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   39 VAL  MG1          40 PHE  HN          5.50    (#   2257:10  Unique         4.07, 4.91 A)
 &rst
  ixpk= 2257, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 578, 579, 580,
 &end
#
#    0 AMB  10-2:2258    40 PHE  HN          7.00    (#   2258:10  Single Ambig)
 &rst
  ixpk= 2258, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1= 101, 102, 103,1354,1355,1356,
 &end
#
#   41 ALA  MB           40 PHE  HN          5.50    (#   2259:10  Unique         3.98, 4.71 A)
 &rst
  ixpk= 2259, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 612, 613, 614,
 &end
#
#    8 THR  MG2          40 PHE  HN          5.50    (#   2260:10  Unique         3.36, 5.07 A)
 &rst
  ixpk= 2260, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 124, 125, 126,
 &end
#
#   39 VAL  HB           40 PHE  HN          5.50    (#   2261:10  Unique         2.91, 3.20 A)
 &rst
  ixpk= 2261, nxpk= 10, iat= 576, 588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 PHE  HB+          40 PHE  HN          5.50    (#   2262:10  Unique         2.63, 3.25 A)
 &rst
  ixpk= 2262, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 592, 593,
 &end
#
#   10 ASN  HA           40 PHE  HN          7.00    (#   2263:10  Unique         6.17, 6.39 A)
 &rst
  ixpk= 2263, nxpk= 10, iat= 141, 588, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:2264    40 PHE  HN          4.50    (#   2264:10  Single Ambig)
 &rst
  ixpk= 2264, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 120, 574,
 &end
#
#    0 AMB  10-2:2265    40 PHE  HN          7.00    (#   2265:10  Single Ambig)
 &rst
  ixpk= 2265, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 610, 109,
 &end
#
#   40 PHE  HA           40 PHE  HN          4.50    (#   2267:10  Unique         2.94, 2.97 A)
 &rst
  ixpk= 2267, nxpk= 10, iat= 590, 588, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  119 PRO  HB-         120 PHE  HN          7.00    (#   2271:10  Unique         4.00, 4.34 A)
 &rst
  ixpk= 2271, nxpk= 10, iat=  -1,1826, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1819,1820,
 &end
#
#    0 AMB  10-2:2272   120 PHE  HN          7.00    (#   2272:10  Single Ambig)
 &rst
  ixpk= 2272, nxpk= 10, iat=  -1,1826, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1846, 178,
 &end
#
#  118 ASP  HN          120 PHE  HN          7.00    (#   2273:10  Unique         5.48, 5.63 A)
 &rst
  ixpk= 2273, nxpk= 10, iat=1800,1826, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:2275   120 PHE  HN          7.00    (#   2275:10  Single Ambig)
 &rst
  ixpk= 2275, nxpk= 10, iat=  -1,1826, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1846, 178,
 &end
#
#  126 ILE  QD1         122 GLY  HN          7.00    (#   2276:10  Unique         6.73, 7.10 A)
 &rst
  ixpk= 2276, nxpk= 10, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1915,1916,1917,
 &end
#
#    0 AMB  10-2:2277   122 GLY  HN          7.00    (#   2277:10  Single Ambig)
 &rst
  ixpk= 2277, nxpk= 10, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1819,1820,1912,1913,
 &end
#
#  126 ILE  HG1-        122 GLY  HN          7.00    (#   2278:10  Unique         4.49, 5.07 A)
 &rst
  ixpk= 2278, nxpk= 10, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1912,1913,
 &end
#
#    0 AMB  10-2:2281   122 GLY  HN          7.00    (#   2281:10  Single Ambig)
 &rst
  ixpk= 2281, nxpk= 10, iat=  -1,1853, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1834,1842, 724,
 &end
#
#  124 ILE  HN          123 SER  HN          7.00    (#   2282:10  Unique         4.53, 4.55 A)
 &rst
  ixpk= 2282, nxpk= 10, iat=1871,1860, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  128 LYS  HB+         125 ASP  HN          7.00    (#   2283:10  Unique         4.57, 5.59 A)
 &rst
  ixpk= 2283, nxpk= 10, iat=  -1,1890, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1946,1947,
 &end
#
#  123 SER  HA          126 ILE  HN          7.00    (#   2285:10  Unique         4.60, 4.65 A)
 &rst
  ixpk= 2285, nxpk= 10, iat=1862,1902, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  127 TYR  HD2         128 LYS  HN          5.50    (#   2296:10  Unique         4.50, 5.06 A)
 &rst
  ixpk= 2296, nxpk= 10, iat=1929,1942, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:2297    91 ILE  HN          5.50    (#   2297:10  Single Ambig)
 &rst
  ixpk= 2297, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1373,1374,1375,1361,1362,1363,
 &end
#
#   90 ILE  QG2          91 ILE  HN          3.50    (#   2298:10  Unique         3.60, 4.39 A)
 &rst
  ixpk= 2298, nxpk= 10, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1354,1355,1356,
 &end
#
#    0 AMB  10-2:2300   128 LYS  HN          5.50    (#   2300:10  Single Ambig)
 &rst
  ixpk= 2300, nxpk= 10, iat=  -1,1942, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1884,1885,1886,1877,1878,1879,
 &end
#
#  132 ASP  HB+         129 GLN  HN          7.00    (#   2301:10  Unique         5.45, 5.81 A)
 &rst
  ixpk= 2301, nxpk= 10, iat=  -1,1964, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=2023,2024,
 &end
#
#  134 LEU  HN          131 ARG  HN          5.50    (#   2303:10  Unique         4.66, 4.69 A)
 &rst
  ixpk= 2303, nxpk= 10, iat=2046,1995, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:2304   131 ARG  HN          7.00    (#   2304:10  Single Ambig)
 &rst
  ixpk= 2304, nxpk= 10, iat=  -1,1995, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1929, 191,
 &end
#
#  132 ASP  HA          131 ARG  HN          7.00    (#   2305:10  Unique         5.31, 5.33 A)
 &rst
  ixpk= 2305, nxpk= 10, iat=2021,1995, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  10-2:2306   137 LEU  HN          3.50    (#   2306:10  Single Ambig)
 &rst
  ixpk= 2306, nxpk= 10, iat=  -1,2095, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=2097,2082,2033,
 &end
#
#    0 AMB  10-2:2307    79 LEU  HN          7.00    (#   2307:10  Single Ambig)
 &rst
  ixpk= 2307, nxpk= 10, iat=  -1,1163, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1182,1198,
 &end
#
#   82 ALA  HN           83 MET  HN          7.00    (#   2308:10  Unique         4.45, 4.47 A)
 &rst
  ixpk= 2308, nxpk= 10, iat=1217,1227, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  103 PHE  HN          104 THR  HN          7.00    (#   2309:10  Unique         4.31, 4.33 A)
 &rst
  ixpk= 2309, nxpk= 10, iat=1570,1590, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  105 LEU  HN          104 THR  HN          7.00    (#   2310:10  Unique         4.61, 4.63 A)
 &rst
  ixpk= 2310, nxpk= 10, iat=1604,1590, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  104 THR  HN          105 LEU  HN          7.00    (#   2311:10  Unique         4.61, 4.63 A)
 &rst
  ixpk= 2311, nxpk= 10, iat=1590,1604, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   20 LEU  HN           18 GLU  HN          7.00    (#   2312:10  Unique         4.22, 4.25 A)
 &rst
  ixpk= 2312, nxpk= 10, iat= 279, 254, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   54 ALA  HA           55 LEU  HN          5.50    (#   2313:10  Unique         3.54, 3.56 A)
 &rst
  ixpk= 2313, nxpk= 10, iat= 784, 792, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  10-2:2314     0 AMB  10-1:2314   5.50    (#   2314:10  Double Ambig)
 &rst
  ixpk= 2314, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 794,1277,
 igr2= 792,1309,
 &end
#
#  127 TYR  QD           51 ALA  HN          7.00    (#   2315:10  Unique         4.09, 4.66 A)
 &rst
  ixpk= 2315, nxpk= 10, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1929,1938,
 &end
#
#  127 TYR  QD           52 VAL  HN          7.00    (#   2316:10  Unique         5.74, 6.66 A)
 &rst
  ixpk= 2316, nxpk= 10, iat=  -1, 751, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1929,1938,
 &end
#
#    0 AMB  10-2:2317    57 GLU  HN          5.50    (#   2317:10  Single Ambig)
 &rst
  ixpk= 2317, nxpk= 10, iat=  -1, 831, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 868, 792,
 &end
#
#    0 AMB  10-2:2318    59 HIS  HN          5.50    (#   2318:10  Single Ambig)
 &rst
  ixpk= 2318, nxpk= 10, iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 885, 831,
 &end
#
#    0 AMB  10-2:2319    51 ALA  HN          7.00    (#   2319:10  Single Ambig)
 &rst
  ixpk= 2319, nxpk= 10, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 767, 782,
 &end
#
#    0 AMB  10-2:2320     0 AMB  10-1:2320   5.50    (#   2320:10  Double Ambig)
 &rst
  ixpk= 2320, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 831, 751,1287,1288,
 igr2= 792,1309,
 &end
#
#   71 GLU  HA           73 LEU  HN          7.00    (#   2321:10  Unique         4.18, 4.23 A)
 &rst
  ixpk= 2321, nxpk= 10, iat=1051,1079, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   71 GLU  HN           73 LEU  HN          7.00    (#   2322:10  Unique         4.34, 4.37 A)
 &rst
  ixpk= 2322, nxpk= 10, iat=1049,1079, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   76 SER  HN           77 ALA  HN          4.50    (#   2323:10  Unique         2.58, 2.67 A)
 &rst
  ixpk= 2323, nxpk= 10, iat=1130,1141, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 PRO  HD2          48 THR  HN          7.00    (#   2324:10  Unique         4.83, 5.07 A)
 &rst
  ixpk= 2324, nxpk= 10, iat= 711, 696, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           H1       MET   1   1.889  -1.614  -0.220
    2   2H    MET   1           H2       MET   1   3.029  -0.708   0.524
    3   3H    MET   1           H3       MET   1   1.677   0.011  -0.032
    4    HA   MET   1           HA       MET   1   3.762  -1.247  -1.683
    5   1HB   MET   1          HB2       MET   1   1.579  -1.472  -2.779
    6   2HB   MET   1          HB3       MET   1   1.260   0.257  -2.572
    7   1HG   MET   1          HG2       MET   1   1.976  -0.274  -4.851
    8   2HG   MET   1          HG3       MET   1   3.107   0.820  -4.086
    9   1HE   MET   1          HE1       MET   1   2.733  -1.833  -6.398
   10   2HE   MET   1          HE2       MET   1   3.949  -0.606  -6.785
   11   3HE   MET   1          HE3       MET   1   4.410  -2.321  -6.640
   12    H    ASP   2           H        ASP   2   5.503   0.037  -2.041
   13    HA   ASP   2           HA       ASP   2   5.203   2.944  -2.020
   14   1HB   ASP   2          HB2       ASP   2   5.927   2.595   0.227
   15   2HB   ASP   2          HB3       ASP   2   7.140   1.421  -0.284
   16    H    ILE   3           H        ILE   3   6.214   3.666  -3.840
   17    HA   ILE   3           HA       ILE   3   7.803   1.680  -5.376
   18    HB   ILE   3           HB       ILE   3   6.081   3.928  -6.454
   19   1HG1  ILE   3          HG12      ILE   3   5.342   1.005  -6.089
   20   2HG1  ILE   3          HG13      ILE   3   4.625   2.377  -5.254
   21   1HG2  ILE   3          HG21      ILE   3   7.793   3.272  -8.034
   22   2HG2  ILE   3          HG22      ILE   3   7.392   1.559  -7.838
   23   3HG2  ILE   3          HG23      ILE   3   6.250   2.675  -8.619
   24   1HD1  ILE   3          HD11      ILE   3   3.777   3.240  -7.464
   25   2HD1  ILE   3          HD12      ILE   3   4.269   1.681  -8.175
   26   3HD1  ILE   3          HD13      ILE   3   3.071   1.728  -6.873
   27    H    ILE   4           H        ILE   4   9.846   2.294  -6.056
   28    HA   ILE   4           HA       ILE   4  10.595   5.158  -5.794
   29    HB   ILE   4           HB       ILE   4  12.402   2.734  -5.786
   30   1HG1  ILE   4          HG12      ILE   4  12.013   4.673  -3.479
   31   2HG1  ILE   4          HG13      ILE   4  10.982   3.254  -3.644
   32   1HG2  ILE   4          HG21      ILE   4  13.477   4.703  -6.843
   33   2HG2  ILE   4          HG22      ILE   4  13.034   5.712  -5.453
   34   3HG2  ILE   4          HG23      ILE   4  14.205   4.391  -5.283
   35   1HD1  ILE   4          HD11      ILE   4  12.880   2.747  -2.198
   36   2HD1  ILE   4          HD12      ILE   4  12.933   1.757  -3.650
   37   3HD1  ILE   4          HD13      ILE   4  14.022   3.141  -3.492
   38    H    PHE   5           H        PHE   5  10.395   6.109  -7.763
   39    HA   PHE   5           HA       PHE   5  10.966   4.633 -10.238
   40   1HB   PHE   5          HB2       PHE   5  10.349   7.567  -9.649
   41   2HB   PHE   5          HB3       PHE   5  10.668   6.922 -11.256
   42    HD1  PHE   5           HD1      PHE   5   9.138   5.034 -12.151
   43    HD2  PHE   5           HD2      PHE   5   8.125   7.525  -8.775
   44    HE1  PHE   5           HE1      PHE   5   6.743   4.450 -12.436
   45    HE2  PHE   5           HE2      PHE   5   5.726   6.936  -9.074
   46    HZ   PHE   5           HZ       PHE   5   5.035   5.397 -10.896
   47    H    VAL   6           H        VAL   6  13.031   4.674 -11.197
   48    HA   VAL   6           HA       VAL   6  15.013   6.509 -10.044
   49    HB   VAL   6           HB       VAL   6  15.162   4.706  -8.568
   50   1HG1  VAL   6          HG11      VAL   6  15.577   2.745 -10.831
   51   2HG1  VAL   6          HG12      VAL   6  15.554   2.410  -9.093
   52   3HG1  VAL   6          HG13      VAL   6  14.065   2.912  -9.891
   53   1HG2  VAL   6          HG21      VAL   6  17.458   4.498 -10.561
   54   2HG2  VAL   6          HG22      VAL   6  17.302   5.613  -9.179
   55   3HG2  VAL   6          HG23      VAL   6  17.473   3.884  -8.905
   56    H    CYS   7           H        CYS   7  16.471   7.275 -11.284
   57    HA   CYS   7           HA       CYS   7  17.140   6.139 -13.885
   58   1HB   CYS   7          HB2       CYS   7  15.188   7.861 -14.100
   59   2HB   CYS   7          HB3       CYS   7  16.385   9.081 -13.641
   60    HG   CYS   7           HG       CYS   7  15.877   8.858 -16.322
   61    H    THR   8           H        THR   8  19.317   7.139 -14.558
   62    HA   THR   8           HA       THR   8  21.073   6.851 -12.533
   63    HB   THR   8           HB       THR   8  22.408   8.596 -14.319
   64    HG1  THR   8           HG1      THR   8  21.693   8.072 -16.297
   65   1HG2  THR   8          HG21      THR   8  23.368   6.540 -13.512
   66   2HG2  THR   8          HG22      THR   8  22.109   5.564 -14.288
   67   3HG2  THR   8          HG23      THR   8  23.296   6.451 -15.276
   68    H    GLY   9           H        GLY   9  19.973  10.085 -13.641
   69   1HA   GLY   9          HA2       GLY   9  21.320  11.326 -11.305
   70   2HA   GLY   9          HA3       GLY   9  20.818  12.108 -12.813
   71    H    ASN  10           H        ASN  10  18.458   9.957 -11.548
   72    HA   ASN  10           HA       ASN  10  16.376  10.146 -10.786
   73   1HB   ASN  10          HB2       ASN  10  17.363  10.876  -8.686
   74   2HB   ASN  10          HB3       ASN  10  17.416  12.545  -9.236
   75   1HD2  ASN  10          HD22      ASN  10  15.781  13.767  -8.289
   76   2HD2  ASN  10          HD21      ASN  10  14.218  13.111  -7.854
   77    H    THR  11           H        THR  11  17.417  13.519 -11.530
   78    HA   THR  11           HA       THR  11  14.835  14.541 -11.852
   79    HB   THR  11           HB       THR  11  16.078  16.485 -12.836
   80    HG1  THR  11           HG1      THR  11  18.305  16.281 -13.079
   81   1HG2  THR  11          HG21      THR  11  17.497  15.222 -10.444
   82   2HG2  THR  11          HG22      THR  11  17.469  16.933 -10.866
   83   3HG2  THR  11          HG23      THR  11  15.967  16.129 -10.349
   84    H    CYS  12           H        CYS  12  16.747  12.769 -14.157
   85    HA   CYS  12           HA       CYS  12  16.002  13.754 -16.585
   86   1HB   CYS  12          HB2       CYS  12  16.200  10.795 -15.930
   87   2HB   CYS  12          HB3       CYS  12  16.568  11.570 -17.472
   88    HG   CYS  12           HG       CYS  12  18.789  10.781 -16.360
   89    H    ARG  13           H        ARG  13  14.006  11.599 -14.529
   90    HA   ARG  13           HA       ARG  13  11.623  12.428 -15.912
   91   1HB   ARG  13          HB2       ARG  13  12.757  10.506 -17.407
   92   2HB   ARG  13          HB3       ARG  13  12.068   9.436 -16.186
   93   1HG   ARG  13          HG2       ARG  13   9.821  10.634 -16.623
   94   2HG   ARG  13          HG3       ARG  13  10.620  11.438 -17.974
   95   1HD   ARG  13          HD2       ARG  13  10.108   8.462 -17.597
   96   2HD   ARG  13          HD3       ARG  13   9.368   9.533 -18.779
   97    HE   ARG  13           HE       ARG  13  11.373   9.645 -20.038
   98   1HH1  ARG  13          HH21      ARG  13  11.516   7.119 -17.480
   99   2HH1  ARG  13          HH22      ARG  13  12.499   6.104 -18.494
  100   1HH2  ARG  13          HH11      ARG  13  12.906   8.352 -21.079
  101   2HH2  ARG  13          HH12      ARG  13  13.522   6.907 -20.335
  102    H    SER  14           H        SER  14  13.166  10.263 -13.491
  103    HA   SER  14           HA       SER  14  11.031   8.973 -12.491
  104   1HB   SER  14          HB2       SER  14  13.229  10.202 -10.818
  105   2HB   SER  14          HB3       SER  14  12.308   8.721 -10.484
  106    HG   SER  14           HG       SER  14  14.429   8.463 -11.479
  107    HA   PRO  15           HA       PRO  15   9.589  12.410  -9.579
  108   1HB   PRO  15          HB2       PRO  15  10.095  15.051 -10.049
  109   2HB   PRO  15          HB3       PRO  15  11.119  13.977  -9.053
  110   1HG   PRO  15          HG2       PRO  15  11.521  14.730 -11.959
  111   2HG   PRO  15          HG3       PRO  15  12.722  14.761 -10.623
  112   1HD   PRO  15          HD2       PRO  15  12.570  12.677 -12.324
  113   2HD   PRO  15          HD3       PRO  15  12.876  12.401 -10.585
  114    H    MET  16           H        MET  16   9.666  12.937 -13.106
  115    HA   MET  16           HA       MET  16   7.111  14.260 -13.280
  116   1HB   MET  16          HB2       MET  16   8.460  12.458 -15.338
  117   2HB   MET  16          HB3       MET  16   7.091  13.511 -15.619
  118   1HG   MET  16          HG2       MET  16   8.442  15.489 -15.298
  119   2HG   MET  16          HG3       MET  16   9.809  14.530 -14.725
  120   1HE   MET  16          HE1       MET  16   7.499  15.357 -17.727
  121   2HE   MET  16          HE2       MET  16   8.396  14.739 -19.131
  122   3HE   MET  16          HE3       MET  16   7.566  13.598 -18.035
  123    H    ALA  17           H        ALA  17   8.297  10.900 -13.350
  124    HA   ALA  17           HA       ALA  17   5.749   9.734 -13.809
  125   1HB   ALA  17          HB1       ALA  17   8.189   8.443 -12.493
  126   2HB   ALA  17          HB2       ALA  17   6.832   7.601 -13.255
  127   3HB   ALA  17          HB3       ALA  17   7.945   8.564 -14.247
  128    H    GLU  18           H        GLU  18   7.552  10.465 -10.860
  129    HA   GLU  18           HA       GLU  18   5.771   9.382  -8.966
  130   1HB   GLU  18          HB2       GLU  18   8.016  10.125  -8.455
  131   2HB   GLU  18          HB3       GLU  18   7.650  11.765  -8.977
  132   1HG   GLU  18          HG2       GLU  18   6.095  11.982  -7.002
  133   2HG   GLU  18          HG3       GLU  18   6.735  10.427  -6.439
  134    H    ALA  19           H        ALA  19   5.839  12.658 -10.416
  135    HA   ALA  19           HA       ALA  19   3.593  13.516  -8.879
  136   1HB   ALA  19          HB1       ALA  19   4.678  14.626 -11.518
  137   2HB   ALA  19          HB2       ALA  19   3.643  15.496 -10.365
  138   3HB   ALA  19          HB3       ALA  19   5.284  15.043  -9.898
  139    H    LEU  20           H        LEU  20   3.880  12.141 -12.121
  140    HA   LEU  20           HA       LEU  20   1.099  12.447 -12.790
  141   1HB   LEU  20          HB2       LEU  20   3.292  10.625 -13.838
  142   2HB   LEU  20          HB3       LEU  20   1.622  10.449 -14.371
  143    HG   LEU  20           HG       LEU  20   3.422  12.839 -14.855
  144   1HD1  LEU  20          HD11      LEU  20   2.132  10.854 -16.736
  145   2HD1  LEU  20          HD12      LEU  20   3.195  12.199 -17.195
  146   3HD1  LEU  20          HD13      LEU  20   3.831  10.857 -16.231
  147   1HD2  LEU  20          HD21      LEU  20   1.545  13.701 -16.270
  148   2HD2  LEU  20          HD22      LEU  20   0.484  12.439 -15.604
  149   3HD2  LEU  20          HD23      LEU  20   1.148  13.711 -14.554
  150    H    PHE  21           H        PHE  21   2.981   9.786 -11.261
  151    HA   PHE  21           HA       PHE  21   0.654   8.129 -11.323
  152   1HB   PHE  21          HB2       PHE  21   3.042   7.249 -11.147
  153   2HB   PHE  21          HB3       PHE  21   2.950   7.625  -9.421
  154    HD1  PHE  21           HD1      PHE  21   1.315   5.750 -12.216
  155    HD2  PHE  21           HD2      PHE  21   1.549   6.201  -7.939
  156    HE1  PHE  21           HE1      PHE  21  -0.159   3.815 -11.941
  157    HE2  PHE  21           HE2      PHE  21   0.089   4.212  -7.669
  158    HZ   PHE  21           HZ       PHE  21  -0.789   3.030  -9.666
  159    H    LYS  22           H        LYS  22   1.956  10.379  -8.875
  160    HA   LYS  22           HA       LYS  22   0.064   9.664  -6.862
  161   1HB   LYS  22          HB2       LYS  22   1.451  12.304  -7.516
  162   2HB   LYS  22          HB3       LYS  22   0.351  12.122  -6.139
  163   1HG   LYS  22          HG2       LYS  22   1.757  10.374  -5.152
  164   2HG   LYS  22          HG3       LYS  22   2.788  10.364  -6.570
  165   1HD   LYS  22          HD2       LYS  22   3.918  11.549  -4.809
  166   2HD   LYS  22          HD3       LYS  22   3.516  12.684  -6.107
  167   1HE   LYS  22          HE2       LYS  22   1.544  13.471  -4.808
  168   2HE   LYS  22          HE3       LYS  22   1.907  12.300  -3.535
  169   1HZ   LYS  22          HZ1       LYS  22   2.734  14.494  -2.981
  170   2HZ   LYS  22          HZ2       LYS  22   3.993  13.476  -3.139
  171   3HZ   LYS  22          HZ3       LYS  22   3.659  14.560  -4.319
  172    H    SER  23           H        SER  23  -0.139  12.031  -9.537
  173    HA   SER  23           HA       SER  23  -2.785  12.800  -8.874
  174   1HB   SER  23          HB2       SER  23  -1.452  12.826 -11.612
  175   2HB   SER  23          HB3       SER  23  -2.832  13.816 -11.086
  176    HG   SER  23           HG       SER  23  -0.128  13.900 -10.219
  177    H    ILE  24           H        ILE  24  -1.641  10.180 -10.999
  178    HA   ILE  24           HA       ILE  24  -4.278   9.520 -11.908
  179    HB   ILE  24           HB       ILE  24  -1.703   7.930 -12.033
  180   1HG1  ILE  24          HG12      ILE  24  -3.178   9.330 -14.321
  181   2HG1  ILE  24          HG13      ILE  24  -2.000  10.199 -13.363
  182   1HG2  ILE  24          HG21      ILE  24  -3.623   6.390 -12.190
  183   2HG2  ILE  24          HG22      ILE  24  -4.423   7.466 -13.354
  184   3HG2  ILE  24          HG23      ILE  24  -2.934   6.587 -13.795
  185   1HD1  ILE  24          HD11      ILE  24  -1.419   7.707 -15.008
  186   2HD1  ILE  24          HD12      ILE  24  -0.922   9.369 -15.354
  187   3HD1  ILE  24          HD13      ILE  24  -0.255   8.532 -13.943
  188    H    ALA  25           H        ALA  25  -2.261   8.402  -9.188
  189    HA   ALA  25           HA       ALA  25  -3.974   6.262  -8.439
  190   1HB   ALA  25          HB1       ALA  25  -1.671   6.434  -7.578
  191   2HB   ALA  25          HB2       ALA  25  -2.087   7.936  -6.720
  192   3HB   ALA  25          HB3       ALA  25  -2.832   6.400  -6.237
  193    H    GLU  26           H        GLU  26  -3.905   9.730  -7.585
  194    HA   GLU  26           HA       GLU  26  -6.121   9.581  -5.808
  195   1HB   GLU  26          HB2       GLU  26  -4.914  11.877  -7.392
  196   2HB   GLU  26          HB3       GLU  26  -6.338  12.085  -6.369
  197   1HG   GLU  26          HG2       GLU  26  -5.091  11.240  -4.410
  198   2HG   GLU  26          HG3       GLU  26  -3.645  11.042  -5.393
  199    H    ARG  27           H        ARG  27  -5.972  10.044  -9.364
  200    HA   ARG  27           HA       ARG  27  -8.786  10.427  -9.691
  201   1HB   ARG  27          HB2       ARG  27  -7.055   8.907 -11.687
  202   2HB   ARG  27          HB3       ARG  27  -8.595   9.680 -11.970
  203   1HG   ARG  27          HG2       ARG  27  -5.877  10.883 -11.801
  204   2HG   ARG  27          HG3       ARG  27  -7.120  11.115 -12.990
  205   1HD   ARG  27          HD2       ARG  27  -7.077  12.276 -10.175
  206   2HD   ARG  27          HD3       ARG  27  -6.761  13.154 -11.673
  207    HE   ARG  27           HE       ARG  27  -9.243  12.183 -12.152
  208   1HH1  ARG  27          HH21      ARG  27  -7.920  14.033  -9.429
  209   2HH1  ARG  27          HH22      ARG  27  -9.423  14.762  -9.005
  210   1HH2  ARG  27          HH11      ARG  27 -11.253  13.149 -11.588
  211   2HH2  ARG  27          HH12      ARG  27 -11.357  14.255 -10.273
  212    H    GLU  28           H        GLU  28  -6.828   7.473  -9.615
  213    HA   GLU  28           HA       GLU  28  -9.070   5.728 -10.129
  214   1HB   GLU  28          HB2       GLU  28  -6.147   5.331  -9.362
  215   2HB   GLU  28          HB3       GLU  28  -7.236   3.966  -9.513
  216   1HG   GLU  28          HG2       GLU  28  -6.614   5.967 -11.725
  217   2HG   GLU  28          HG3       GLU  28  -5.960   4.339 -11.579
  218    H    GLY  29           H        GLY  29  -7.758   7.059  -7.181
  219   1HA   GLY  29          HA2       GLY  29  -8.474   6.806  -5.003
  220   2HA   GLY  29          HA3       GLY  29  -9.688   5.616  -5.511
  221    H    LEU  30           H        LEU  30  -6.251   5.410  -6.403
  222    HA   LEU  30           HA       LEU  30  -5.957   2.786  -5.089
  223   1HB   LEU  30          HB2       LEU  30  -4.463   4.414  -7.099
  224   2HB   LEU  30          HB3       LEU  30  -3.429   3.544  -5.983
  225    HG   LEU  30           HG       LEU  30  -5.702   2.147  -7.438
  226   1HD1  LEU  30          HD11      LEU  30  -4.268   3.150  -9.153
  227   2HD1  LEU  30          HD12      LEU  30  -2.829   2.428  -8.400
  228   3HD1  LEU  30          HD13      LEU  30  -4.082   1.391  -9.130
  229   1HD2  LEU  30          HD21      LEU  30  -3.104   1.125  -6.185
  230   2HD2  LEU  30          HD22      LEU  30  -4.740   0.915  -5.519
  231   3HD2  LEU  30          HD23      LEU  30  -4.299   0.128  -7.034
  232    H    ASN  31           H        ASN  31  -4.070   2.481  -3.608
  233    HA   ASN  31           HA       ASN  31  -3.428   4.864  -1.947
  234   1HB   ASN  31          HB2       ASN  31  -5.217   3.778  -0.717
  235   2HB   ASN  31          HB3       ASN  31  -4.469   2.196  -0.946
  236   1HD2  ASN  31          HD22      ASN  31  -4.053   1.677   1.265
  237   2HD2  ASN  31          HD21      ASN  31  -2.969   2.616   2.252
  238    H    VAL  32           H        VAL  32  -1.338   5.058  -2.114
  239    HA   VAL  32           HA       VAL  32   0.550   2.817  -2.028
  240    HB   VAL  32           HB       VAL  32   1.686   3.695  -4.074
  241   1HG1  VAL  32          HG11      VAL  32   0.157   1.731  -4.258
  242   2HG1  VAL  32          HG12      VAL  32  -1.135   2.833  -4.793
  243   3HG1  VAL  32          HG13      VAL  32   0.359   2.678  -5.742
  244   1HG2  VAL  32          HG21      VAL  32   0.593   5.138  -5.675
  245   2HG2  VAL  32          HG22      VAL  32  -0.865   5.269  -4.675
  246   3HG2  VAL  32          HG23      VAL  32   0.666   5.997  -4.139
  247    H    ASN  33           H        ASN  33   2.835   3.878  -2.091
  248    HA   ASN  33           HA       ASN  33   2.822   6.784  -1.701
  249   1HB   ASN  33          HB2       ASN  33   3.605   5.732   0.477
  250   2HB   ASN  33          HB3       ASN  33   4.878   4.910  -0.434
  251   1HD2  ASN  33          HD22      ASN  33   6.774   6.091  -0.926
  252   2HD2  ASN  33          HD21      ASN  33   6.942   7.815  -0.603
  253    H    VAL  34           H        VAL  34   4.512   7.707  -3.014
  254    HA   VAL  34           HA       VAL  34   6.180   5.861  -4.493
  255    HB   VAL  34           HB       VAL  34   5.795   6.801  -6.663
  256   1HG1  VAL  34          HG11      VAL  34   2.987   6.203  -5.635
  257   2HG1  VAL  34          HG12      VAL  34   3.671   5.915  -7.248
  258   3HG1  VAL  34          HG13      VAL  34   4.196   4.936  -5.879
  259   1HG2  VAL  34          HG21      VAL  34   3.974   8.368  -7.177
  260   2HG2  VAL  34          HG22      VAL  34   3.578   8.494  -5.444
  261   3HG2  VAL  34          HG23      VAL  34   5.117   9.107  -6.060
  262    H    ARG  35           H        ARG  35   8.182   6.713  -4.970
  263    HA   ARG  35           HA       ARG  35   8.797   9.530  -4.518
  264   1HB   ARG  35          HB2       ARG  35  10.751   8.747  -2.997
  265   2HB   ARG  35          HB3       ARG  35   9.144   9.026  -2.350
  266   1HG   ARG  35          HG2       ARG  35   8.764   6.521  -2.372
  267   2HG   ARG  35          HG3       ARG  35  10.486   6.341  -2.796
  268   1HD   ARG  35          HD2       ARG  35  11.150   7.505  -0.766
  269   2HD   ARG  35          HD3       ARG  35   9.479   7.984  -0.426
  270    HE   ARG  35           HE       ARG  35   9.430   5.195  -0.475
  271   1HH1  ARG  35          HH21      ARG  35  10.932   7.760   1.510
  272   2HH1  ARG  35          HH22      ARG  35  10.916   6.819   2.952
  273   1HH2  ARG  35          HH11      ARG  35   9.440   4.004   1.325
  274   2HH2  ARG  35          HH12      ARG  35   9.968   4.612   2.891
  275    H    SER  36           H        SER  36  11.219   9.804  -4.992
  276    HA   SER  36           HA       SER  36  12.000   7.998  -7.194
  277   1HB   SER  36          HB2       SER  36  12.200  11.015  -7.381
  278   2HB   SER  36          HB3       SER  36  12.451   9.812  -8.644
  279    HG   SER  36           HG       SER  36  10.036  10.571  -7.374
  280    H    ALA  37           H        ALA  37  14.233   7.963  -7.690
  281    HA   ALA  37           HA       ALA  37  16.125   9.487  -6.068
  282   1HB   ALA  37          HB1       ALA  37  15.944   6.447  -5.835
  283   2HB   ALA  37          HB2       ALA  37  17.196   7.495  -5.113
  284   3HB   ALA  37          HB3       ALA  37  15.530   7.602  -4.549
  285    H    GLY  38           H        GLY  38  18.420   8.539  -6.694
  286   1HA   GLY  38          HA2       GLY  38  18.446   7.344  -9.381
  287   2HA   GLY  38          HA3       GLY  38  19.245   8.900  -9.226
  288    H    VAL  39           H        VAL  39  20.302   6.142  -9.806
  289    HA   VAL  39           HA       VAL  39  21.717   5.196  -7.506
  290    HB   VAL  39           HB       VAL  39  23.147   4.027  -9.285
  291   1HG1  VAL  39          HG11      VAL  39  21.308   2.910  -8.127
  292   2HG1  VAL  39          HG12      VAL  39  20.131   3.588  -9.280
  293   3HG1  VAL  39          HG13      VAL  39  21.358   2.431  -9.836
  294   1HG2  VAL  39          HG21      VAL  39  22.573   5.595 -11.206
  295   2HG2  VAL  39          HG22      VAL  39  22.324   3.869 -11.538
  296   3HG2  VAL  39          HG23      VAL  39  20.934   4.901 -11.200
  297    H    PHE  40           H        PHE  40  22.376   7.875  -9.674
  298    HA   PHE  40           HA       PHE  40  24.810   8.482  -8.095
  299   1HB   PHE  40          HB2       PHE  40  24.522   8.519 -11.125
  300   2HB   PHE  40          HB3       PHE  40  25.820   9.333 -10.262
  301    HD1  PHE  40           HD1      PHE  40  27.435   8.023  -8.827
  302    HD2  PHE  40           HD2      PHE  40  24.683   6.113 -11.546
  303    HE1  PHE  40           HE1      PHE  40  28.798   5.951  -8.761
  304    HE2  PHE  40           HE2      PHE  40  26.051   4.049 -11.478
  305    HZ   PHE  40           HZ       PHE  40  28.108   3.959 -10.083
  306    H    ALA  41           H        ALA  41  21.975   9.334  -7.907
  307    HA   ALA  41           HA       ALA  41  21.936  12.174  -8.679
  308   1HB   ALA  41          HB1       ALA  41  19.847  12.180  -7.323
  309   2HB   ALA  41          HB2       ALA  41  19.825  10.928  -8.566
  310   3HB   ALA  41          HB3       ALA  41  20.143  10.492  -6.866
  311    H    SER  42           H        SER  42  21.445  13.687  -6.731
  312    HA   SER  42           HA       SER  42  23.078  13.082  -4.361
  313   1HB   SER  42          HB2       SER  42  23.311  15.633  -6.009
  314   2HB   SER  42          HB3       SER  42  24.166  15.285  -4.496
  315    HG   SER  42           HG       SER  42  25.452  14.887  -6.359
  316    HA   PRO  43           HA       PRO  43  19.597  14.806  -2.262
  317   1HB   PRO  43          HB2       PRO  43  21.586  16.164  -0.449
  318   2HB   PRO  43          HB3       PRO  43  20.113  15.229  -0.021
  319   1HG   PRO  43          HG2       PRO  43  22.480  13.988   0.121
  320   2HG   PRO  43          HG3       PRO  43  21.132  13.174  -0.768
  321   1HD   PRO  43          HD2       PRO  43  23.367  14.872  -1.946
  322   2HD   PRO  43          HD3       PRO  43  22.881  13.205  -2.365
  323    H    ASN  44           H        ASN  44  21.271  16.843  -4.190
  324    HA   ASN  44           HA       ASN  44  19.663  19.234  -3.521
  325   1HB   ASN  44          HB2       ASN  44  21.501  20.687  -3.628
  326   2HB   ASN  44          HB3       ASN  44  22.017  19.410  -2.537
  327   1HD2  ASN  44          HD22      ASN  44  23.574  21.335  -4.379
  328   2HD2  ASN  44          HD21      ASN  44  24.601  20.284  -5.318
  329    H    GLY  45           H        GLY  45  19.863  16.992  -5.729
  330   1HA   GLY  45          HA2       GLY  45  19.943  18.707  -8.159
  331   2HA   GLY  45          HA3       GLY  45  19.547  16.979  -8.083
  332    H    LYS  46           H        LYS  46  17.731  18.817  -9.366
  333    HA   LYS  46           HA       LYS  46  15.370  18.311  -7.762
  334   1HB   LYS  46          HB2       LYS  46  14.588  20.657  -7.706
  335   2HB   LYS  46          HB3       LYS  46  15.998  20.400  -6.701
  336   1HG   LYS  46          HG2       LYS  46  17.455  21.484  -8.301
  337   2HG   LYS  46          HG3       LYS  46  16.214  21.504  -9.551
  338   1HD   LYS  46          HD2       LYS  46  16.045  23.031  -6.925
  339   2HD   LYS  46          HD3       LYS  46  16.624  23.721  -8.436
  340   1HE   LYS  46          HE2       LYS  46  13.811  22.611  -7.981
  341   2HE   LYS  46          HE3       LYS  46  14.266  24.310  -7.913
  342   1HZ   LYS  46          HZ1       LYS  46  14.357  22.600 -10.343
  343   2HZ   LYS  46          HZ2       LYS  46  13.361  23.851 -10.043
  344   3HZ   LYS  46          HZ3       LYS  46  14.946  24.135 -10.263
  345    H    ALA  47           H        ALA  47  13.404  19.039  -8.882
  346    HA   ALA  47           HA       ALA  47  13.119  18.071 -11.458
  347   1HB   ALA  47          HB1       ALA  47  11.273  18.671  -9.894
  348   2HB   ALA  47          HB2       ALA  47  11.545  20.394 -10.253
  349   3HB   ALA  47          HB3       ALA  47  11.005  19.296 -11.539
  350    H    THR  48           H        THR  48  13.465  18.804 -13.540
  351    HA   THR  48           HA       THR  48  15.288  21.006 -13.836
  352    HB   THR  48           HB       THR  48  15.453  20.288 -16.120
  353    HG1  THR  48           HG1      THR  48  13.982  18.845 -17.016
  354   1HG2  THR  48          HG21      THR  48  16.300  18.665 -14.346
  355   2HG2  THR  48          HG22      THR  48  14.818  17.717 -14.638
  356   3HG2  THR  48          HG23      THR  48  15.986  17.976 -15.950
  357    HA   PRO  49           HA       PRO  49  12.382  24.192 -14.856
  358   1HB   PRO  49          HB2       PRO  49  13.534  25.585 -16.947
  359   2HB   PRO  49          HB3       PRO  49  14.090  25.663 -15.249
  360   1HG   PRO  49          HG2       PRO  49  15.172  23.922 -17.485
  361   2HG   PRO  49          HG3       PRO  49  16.091  24.965 -16.348
  362   1HD   PRO  49          HD2       PRO  49  15.837  22.320 -15.910
  363   2HD   PRO  49          HD3       PRO  49  15.727  23.466 -14.545
  364    H    HIS  50           H        HIS  50  12.793  21.542 -16.947
  365    HA   HIS  50           HA       HIS  50  10.524  22.458 -18.614
  366   1HB   HIS  50          HB2       HIS  50  12.796  20.608 -19.355
  367   2HB   HIS  50          HB3       HIS  50  11.341  20.844 -20.326
  368    HD1  HIS  50           HD1      HIS  50  14.275  21.563 -21.455
  369    HD2  HIS  50           HD2      HIS  50  11.414  24.201 -19.826
  370    HE1  HIS  50           HE1      HIS  50  14.842  23.875 -22.328
  371    H    ALA  51           H        ALA  51  11.833  19.717 -16.714
  372    HA   ALA  51           HA       ALA  51   9.545  18.054 -17.102
  373   1HB   ALA  51          HB1       ALA  51  11.607  17.196 -16.061
  374   2HB   ALA  51          HB2       ALA  51  11.441  18.343 -14.719
  375   3HB   ALA  51          HB3       ALA  51  10.260  17.038 -14.920
  376    H    VAL  52           H        VAL  52  10.363  20.540 -14.686
  377    HA   VAL  52           HA       VAL  52   7.973  20.294 -13.231
  378    HB   VAL  52           HB       VAL  52  10.312  21.356 -12.756
  379   1HG1  VAL  52          HG11      VAL  52  10.502  23.713 -12.734
  380   2HG1  VAL  52          HG12      VAL  52  10.210  23.182 -14.395
  381   3HG1  VAL  52          HG13      VAL  52   8.881  23.914 -13.446
  382   1HG2  VAL  52          HG21      VAL  52   8.717  21.032 -11.056
  383   2HG2  VAL  52          HG22      VAL  52   9.403  22.646 -10.865
  384   3HG2  VAL  52          HG23      VAL  52   7.775  22.460 -11.569
  385    H    GLU  53           H        GLU  53   8.859  22.282 -16.003
  386    HA   GLU  53           HA       GLU  53   6.468  23.809 -16.013
  387   1HB   GLU  53          HB2       GLU  53   8.595  24.507 -17.084
  388   2HB   GLU  53          HB3       GLU  53   8.438  23.192 -18.243
  389   1HG   GLU  53          HG2       GLU  53   7.785  25.145 -19.385
  390   2HG   GLU  53          HG3       GLU  53   6.288  24.290 -19.065
  391    H    ALA  54           H        ALA  54   7.436  20.757 -17.594
  392    HA   ALA  54           HA       ALA  54   5.130  20.453 -19.203
  393   1HB   ALA  54          HB1       ALA  54   5.796  18.056 -19.299
  394   2HB   ALA  54          HB2       ALA  54   7.171  19.139 -19.571
  395   3HB   ALA  54          HB3       ALA  54   6.965  18.331 -17.999
  396    H    LEU  55           H        LEU  55   5.791  19.454 -15.838
  397    HA   LEU  55           HA       LEU  55   3.079  18.341 -15.612
  398   1HB   LEU  55          HB2       LEU  55   5.370  18.728 -13.727
  399   2HB   LEU  55          HB3       LEU  55   3.759  18.364 -13.087
  400    HG   LEU  55           HG       LEU  55   5.219  16.378 -13.296
  401   1HD1  LEU  55          HD11      LEU  55   3.598  14.875 -14.168
  402   2HD1  LEU  55          HD12      LEU  55   2.777  16.148 -13.281
  403   3HD1  LEU  55          HD13      LEU  55   2.771  16.153 -15.075
  404   1HD2  LEU  55          HD21      LEU  55   5.642  15.297 -15.430
  405   2HD2  LEU  55          HD22      LEU  55   4.913  16.642 -16.314
  406   3HD2  LEU  55          HD23      LEU  55   6.418  16.886 -15.398
  407    H    PHE  56           H        PHE  56   4.478  21.546 -15.121
  408    HA   PHE  56           HA       PHE  56   2.149  22.503 -13.689
  409   1HB   PHE  56          HB2       PHE  56   4.340  23.705 -13.727
  410   2HB   PHE  56          HB3       PHE  56   4.065  24.095 -15.427
  411    HD1  PHE  56           HD1      PHE  56   2.856  26.094 -15.962
  412    HD2  PHE  56           HD2      PHE  56   2.433  24.338 -12.044
  413    HE1  PHE  56           HE1      PHE  56   1.406  27.983 -15.263
  414    HE2  PHE  56           HE2      PHE  56   0.953  26.195 -11.365
  415    HZ   PHE  56           HZ       PHE  56   0.445  28.041 -12.968
  416    H    GLU  57           H        GLU  57   3.032  22.221 -17.168
  417    HA   GLU  57           HA       GLU  57   0.591  23.259 -18.206
  418   1HB   GLU  57          HB2       GLU  57   2.545  23.000 -19.559
  419   2HB   GLU  57          HB3       GLU  57   2.625  21.272 -19.301
  420   1HG   GLU  57          HG2       GLU  57   0.296  22.659 -20.691
  421   2HG   GLU  57          HG3       GLU  57   1.731  22.097 -21.541
  422    H    LYS  58           H        LYS  58   1.506  19.907 -17.197
  423    HA   LYS  58           HA       LYS  58  -1.077  18.807 -17.623
  424   1HB   LYS  58          HB2       LYS  58   1.193  17.636 -17.129
  425   2HB   LYS  58          HB3       LYS  58   0.843  17.945 -15.432
  426   1HG   LYS  58          HG2       LYS  58   0.232  15.687 -16.001
  427   2HG   LYS  58          HG3       LYS  58  -1.213  16.584 -15.580
  428   1HD   LYS  58          HD2       LYS  58  -1.655  15.109 -17.425
  429   2HD   LYS  58          HD3       LYS  58  -1.781  16.772 -18.006
  430   1HE   LYS  58          HE2       LYS  58   0.502  16.622 -18.963
  431   2HE   LYS  58          HE3       LYS  58   0.699  15.006 -18.267
  432   1HZ   LYS  58          HZ1       LYS  58  -1.322  15.721 -20.330
  433   2HZ   LYS  58          HZ2       LYS  58   0.046  14.862 -20.608
  434   3HZ   LYS  58          HZ3       LYS  58  -1.129  14.237 -19.659
  435    H    HIS  59           H        HIS  59  -0.133  21.131 -15.347
  436    HA   HIS  59           HA       HIS  59  -1.061  22.180 -13.654
  437   1HB   HIS  59          HB2       HIS  59  -3.031  22.242 -15.213
  438   2HB   HIS  59          HB3       HIS  59  -3.732  20.909 -14.294
  439    HD1  HIS  59           HD1      HIS  59  -5.304  21.790 -12.381
  440    HD2  HIS  59           HD2      HIS  59  -2.215  24.441 -13.461
  441    HE1  HIS  59           HE1      HIS  59  -5.640  23.887 -10.977
  442    H    ILE  60           H        ILE  60   0.453  20.211 -13.014
  443    HA   ILE  60           HA       ILE  60  -0.764  18.985 -10.578
  444    HB   ILE  60           HB       ILE  60   1.366  17.922 -12.448
  445   1HG1  ILE  60          HG12      ILE  60  -1.315  16.748 -11.554
  446   2HG1  ILE  60          HG13      ILE  60  -1.067  17.600 -13.073
  447   1HG2  ILE  60          HG21      ILE  60   2.107  17.427 -10.157
  448   2HG2  ILE  60          HG22      ILE  60   0.490  16.810  -9.742
  449   3HG2  ILE  60          HG23      ILE  60   1.515  15.954 -10.900
  450   1HD1  ILE  60          HD11      ILE  60   0.266  14.965 -12.336
  451   2HD1  ILE  60          HD12      ILE  60  -1.034  15.236 -13.501
  452   3HD1  ILE  60          HD13      ILE  60   0.578  15.924 -13.787
  453    H    ALA  61           H        ALA  61   1.760  21.023 -11.916
  454    HA   ALA  61           HA       ALA  61   3.413  22.249 -11.012
  455   1HB   ALA  61          HB1       ALA  61   2.931  23.465  -8.965
  456   2HB   ALA  61          HB2       ALA  61   1.484  23.384  -9.991
  457   3HB   ALA  61          HB3       ALA  61   1.620  22.340  -8.561
  458    H    LEU  62           H        LEU  62   4.582  20.198 -11.244
  459    HA   LEU  62           HA       LEU  62   5.370  18.449  -9.168
  460   1HB   LEU  62          HB2       LEU  62   5.743  18.342 -11.668
  461   2HB   LEU  62          HB3       LEU  62   7.013  19.541 -11.506
  462    HG   LEU  62           HG       LEU  62   6.950  16.645 -10.568
  463   1HD1  LEU  62          HD11      LEU  62   7.426  17.125 -12.986
  464   2HD1  LEU  62          HD12      LEU  62   8.821  18.099 -12.491
  465   3HD1  LEU  62          HD13      LEU  62   8.778  16.356 -12.156
  466   1HD2  LEU  62          HD21      LEU  62   8.231  17.501  -8.832
  467   2HD2  LEU  62          HD22      LEU  62   9.456  17.120 -10.021
  468   3HD2  LEU  62          HD23      LEU  62   8.941  18.800  -9.845
  469    H    ASN  63           H        ASN  63   6.919  18.677  -7.533
  470    HA   ASN  63           HA       ASN  63   8.998  20.644  -7.751
  471   1HB   ASN  63          HB2       ASN  63   6.721  21.457  -6.194
  472   2HB   ASN  63          HB3       ASN  63   7.978  21.006  -5.043
  473   1HD2  ASN  63          HD22      ASN  63   7.758  22.687  -8.240
  474   2HD2  ASN  63          HD21      ASN  63   8.804  24.028  -7.803
  475    H    HIS  64           H        HIS  64  10.791  19.530  -7.133
  476    HA   HIS  64           HA       HIS  64  10.649  17.369  -5.148
  477   1HB   HIS  64          HB2       HIS  64   9.828  16.390  -7.336
  478   2HB   HIS  64          HB3       HIS  64  11.355  16.872  -8.086
  479    HD1  HIS  64           HD1      HIS  64   9.834  14.028  -6.099
  480    HD2  HIS  64           HD2      HIS  64  13.611  15.545  -7.234
  481    HE1  HIS  64           HE1      HIS  64  11.519  12.225  -5.588
  482    H    VAL  65           H        VAL  65  12.694  16.932  -4.346
  483    HA   VAL  65           HA       VAL  65  15.104  18.132  -5.609
  484    HB   VAL  65           HB       VAL  65  14.396  18.143  -2.648
  485   1HG1  VAL  65          HG11      VAL  65  16.818  17.684  -3.040
  486   2HG1  VAL  65          HG12      VAL  65  16.923  19.163  -4.017
  487   3HG1  VAL  65          HG13      VAL  65  16.543  19.257  -2.287
  488   1HG2  VAL  65          HG21      VAL  65  13.276  19.988  -3.824
  489   2HG2  VAL  65          HG22      VAL  65  14.607  20.614  -2.846
  490   3HG2  VAL  65          HG23      VAL  65  14.806  20.449  -4.602
  491    H    SER  66           H        SER  66  16.446  16.536  -6.036
  492    HA   SER  66           HA       SER  66  15.831  13.812  -5.773
  493   1HB   SER  66          HB2       SER  66  18.487  15.185  -6.348
  494   2HB   SER  66          HB3       SER  66  18.033  13.539  -6.831
  495    HG   SER  66           HG       SER  66  17.788  15.257  -8.450
  496    H    SER  67           H        SER  67  17.417  12.152  -5.009
  497    HA   SER  67           HA       SER  67  19.330  12.683  -2.941
  498   1HB   SER  67          HB2       SER  67  16.731  11.201  -2.300
  499   2HB   SER  67          HB3       SER  67  18.207  11.045  -1.332
  500    HG   SER  67           HG       SER  67  17.265  13.614  -1.929
  501    HA   PRO  68           HA       PRO  68  20.697   9.026  -5.108
  502   1HB   PRO  68          HB2       PRO  68  22.343   7.756  -3.322
  503   2HB   PRO  68          HB3       PRO  68  22.774   9.292  -4.130
  504   1HG   PRO  68          HG2       PRO  68  21.585   8.910  -1.368
  505   2HG   PRO  68          HG3       PRO  68  22.981   9.934  -1.842
  506   1HD   PRO  68          HD2       PRO  68  20.479  10.961  -1.528
  507   2HD   PRO  68          HD3       PRO  68  21.573  11.557  -2.814
  508    H    LEU  69           H        LEU  69  20.266   6.764  -5.286
  509    HA   LEU  69           HA       LEU  69  18.204   5.670  -3.453
  510   1HB   LEU  69          HB2       LEU  69  17.934   5.300  -5.883
  511   2HB   LEU  69          HB3       LEU  69  19.516   4.541  -5.972
  512    HG   LEU  69           HG       LEU  69  18.804   2.641  -4.732
  513   1HD1  LEU  69          HD11      LEU  69  17.388   3.511  -2.961
  514   2HD1  LEU  69          HD12      LEU  69  16.209   4.118  -4.145
  515   3HD1  LEU  69          HD13      LEU  69  16.431   2.373  -3.895
  516   1HD2  LEU  69          HD21      LEU  69  16.555   3.374  -6.636
  517   2HD2  LEU  69          HD22      LEU  69  18.148   2.726  -7.094
  518   3HD2  LEU  69          HD23      LEU  69  17.035   1.736  -6.140
  519    H    THR  70           H        THR  70  18.898   4.787  -1.596
  520    HA   THR  70           HA       THR  70  21.394   3.234  -1.552
  521    HB   THR  70           HB       THR  70  21.556   4.277   0.870
  522    HG1  THR  70           HG1      THR  70  20.819   6.361   0.985
  523   1HG2  THR  70          HG21      THR  70  23.238   4.454  -0.924
  524   2HG2  THR  70          HG22      THR  70  22.356   5.823  -1.635
  525   3HG2  THR  70          HG23      THR  70  23.094   5.974  -0.021
  526    H    GLU  71           H        GLU  71  21.455   1.924   0.572
  527    HA   GLU  71           HA       GLU  71  19.526   0.091  -0.217
  528   1HB   GLU  71          HB2       GLU  71  21.901  -0.297   0.638
  529   2HB   GLU  71          HB3       GLU  71  21.259  -0.142   2.279
  530   1HG   GLU  71          HG2       GLU  71  19.717  -2.048   1.830
  531   2HG   GLU  71          HG3       GLU  71  20.325  -2.149   0.174
  532    H    GLU  72           H        GLU  72  19.557   2.193   2.631
  533    HA   GLU  72           HA       GLU  72  17.481   0.828   4.017
  534   1HB   GLU  72          HB2       GLU  72  17.278   2.914   5.339
  535   2HB   GLU  72          HB3       GLU  72  18.936   2.325   5.205
  536   1HG   GLU  72          HG2       GLU  72  19.387   4.025   3.431
  537   2HG   GLU  72          HG3       GLU  72  17.742   4.636   3.614
  538    H    LEU  73           H        LEU  73  17.397   3.343   1.513
  539    HA   LEU  73           HA       LEU  73  14.557   3.767   1.710
  540   1HB   LEU  73          HB2       LEU  73  15.976   5.465   0.658
  541   2HB   LEU  73          HB3       LEU  73  16.544   4.279  -0.532
  542    HG   LEU  73           HG       LEU  73  14.360   4.114  -1.517
  543   1HD1  LEU  73          HD11      LEU  73  12.851   4.565   0.364
  544   2HD1  LEU  73          HD12      LEU  73  13.395   6.260   0.400
  545   3HD1  LEU  73          HD13      LEU  73  12.509   5.614  -1.006
  546   1HD2  LEU  73          HD21      LEU  73  14.224   6.293  -2.586
  547   2HD2  LEU  73          HD22      LEU  73  15.189   7.021  -1.278
  548   3HD2  LEU  73          HD23      LEU  73  15.917   5.822  -2.364
  549    H    MET  74           H        MET  74  16.709   1.722  -0.235
  550    HA   MET  74           HA       MET  74  14.741   0.491  -1.829
  551   1HB   MET  74          HB2       MET  74  16.831   0.093  -2.631
  552   2HB   MET  74          HB3       MET  74  17.549  -0.090  -1.043
  553   1HG   MET  74          HG2       MET  74  17.692  -2.175  -2.200
  554   2HG   MET  74          HG3       MET  74  16.647  -2.324  -0.805
  555   1HE   MET  74          HE1       MET  74  15.482  -2.792  -5.243
  556   2HE   MET  74          HE2       MET  74  16.465  -1.424  -4.663
  557   3HE   MET  74          HE3       MET  74  17.072  -3.093  -4.521
  558    H    GLU  75           H        GLU  75  15.984  -0.427   1.389
  559    HA   GLU  75           HA       GLU  75  14.404  -2.800   1.686
  560   1HB   GLU  75          HB2       GLU  75  15.807  -0.950   3.647
  561   2HB   GLU  75          HB3       GLU  75  14.846  -2.327   4.191
  562   1HG   GLU  75          HG2       GLU  75  16.208  -3.872   2.870
  563   2HG   GLU  75          HG3       GLU  75  17.223  -2.556   2.297
  564    H    SER  76           H        SER  76  13.800   0.638   2.487
  565    HA   SER  76           HA       SER  76  11.381   0.178   3.942
  566   1HB   SER  76          HB2       SER  76  12.278   2.651   2.400
  567   2HB   SER  76          HB3       SER  76  11.011   2.577   3.635
  568    HG   SER  76           HG       SER  76  13.800   2.105   3.952
  569    H    ALA  77           H        ALA  77  12.019   0.703   0.435
  570    HA   ALA  77           HA       ALA  77   9.199   0.984  -0.138
  571   1HB   ALA  77          HB1       ALA  77  10.883   2.188  -1.411
  572   2HB   ALA  77          HB2       ALA  77  11.557   0.642  -2.016
  573   3HB   ALA  77          HB3       ALA  77   9.919   1.169  -2.475
  574    H    ASP  78           H        ASP  78   8.224  -0.331  -2.004
  575    HA   ASP  78           HA       ASP  78   8.589  -3.234  -1.499
  576   1HB   ASP  78          HB2       ASP  78   6.531  -2.227  -0.413
  577   2HB   ASP  78          HB3       ASP  78   5.933  -1.849  -2.024
  578    H    LEU  79           H        LEU  79   8.497  -0.712  -3.880
  579    HA   LEU  79           HA       LEU  79   9.023  -2.740  -5.951
  580   1HB   LEU  79          HB2       LEU  79   6.580  -1.995  -6.113
  581   2HB   LEU  79          HB3       LEU  79   7.158  -0.354  -6.324
  582    HG   LEU  79           HG       LEU  79   8.347  -1.067  -8.427
  583   1HD1  LEU  79          HD11      LEU  79   8.636  -3.474  -7.986
  584   2HD1  LEU  79          HD12      LEU  79   6.873  -3.690  -7.907
  585   3HD1  LEU  79          HD13      LEU  79   7.656  -3.248  -9.439
  586   1HD2  LEU  79          HD21      LEU  79   5.395  -1.767  -8.508
  587   2HD2  LEU  79          HD22      LEU  79   6.018  -0.112  -8.488
  588   3HD2  LEU  79          HD23      LEU  79   6.405  -1.195  -9.833
  589    H    VAL  80           H        VAL  80  10.571  -2.028  -7.425
  590    HA   VAL  80           HA       VAL  80  11.387   0.815  -7.308
  591    HB   VAL  80           HB       VAL  80  13.261  -1.573  -7.531
  592   1HG1  VAL  80          HG11      VAL  80  15.058   0.119  -7.353
  593   2HG1  VAL  80          HG12      VAL  80  14.067   0.398  -8.788
  594   3HG1  VAL  80          HG13      VAL  80  13.844   1.418  -7.349
  595   1HG2  VAL  80          HG21      VAL  80  14.160  -0.687  -5.317
  596   2HG2  VAL  80          HG22      VAL  80  12.682   0.290  -5.219
  597   3HG2  VAL  80          HG23      VAL  80  12.583  -1.477  -5.245
  598    H    LEU  81           H        LEU  81  11.567   1.713  -9.314
  599    HA   LEU  81           HA       LEU  81  10.878   0.006 -11.621
  600   1HB   LEU  81          HB2       LEU  81   9.162   1.758 -10.171
  601   2HB   LEU  81          HB3       LEU  81   9.501   2.561 -11.694
  602    HG   LEU  81           HG       LEU  81   8.630  -0.382 -11.571
  603   1HD1  LEU  81          HD11      LEU  81   6.935   1.219 -10.527
  604   2HD1  LEU  81          HD12      LEU  81   6.826   1.995 -12.123
  605   3HD1  LEU  81          HD13      LEU  81   6.400   0.270 -11.908
  606   1HD2  LEU  81          HD21      LEU  81   8.702   1.690 -13.747
  607   2HD2  LEU  81          HD22      LEU  81   9.712   0.230 -13.629
  608   3HD2  LEU  81          HD23      LEU  81   7.972   0.077 -13.908
  609    H    ALA  82           H        ALA  82  12.729   0.111 -12.715
  610    HA   ALA  82           HA       ALA  82  14.361   2.553 -12.592
  611   1HB   ALA  82          HB1       ALA  82  15.072  -0.301 -13.420
  612   2HB   ALA  82          HB2       ALA  82  16.202   1.045 -13.176
  613   3HB   ALA  82          HB3       ALA  82  15.320   0.382 -11.794
  614    H    MET  83           H        MET  83  14.933   3.662 -14.399
  615    HA   MET  83           HA       MET  83  13.340   3.333 -16.715
  616   1HB   MET  83          HB2       MET  83  15.900   4.967 -16.518
  617   2HB   MET  83          HB3       MET  83  14.623   5.125 -17.721
  618   1HG   MET  83          HG2       MET  83  14.560   5.848 -14.809
  619   2HG   MET  83          HG3       MET  83  14.168   6.847 -16.198
  620   1HE   MET  83          HE1       MET  83  12.503   6.196 -13.243
  621   2HE   MET  83          HE2       MET  83  12.109   7.556 -14.327
  622   3HE   MET  83          HE3       MET  83  10.849   6.374 -13.882
  623    H    THR  84           H        THR  84  16.499   1.759 -16.091
  624    HA   THR  84           HA       THR  84  16.210   0.548 -18.761
  625    HB   THR  84           HB       THR  84  18.515   0.902 -19.341
  626    HG1  THR  84           HG1      THR  84  19.769   2.327 -17.946
  627   1HG2  THR  84          HG21      THR  84  18.677   3.271 -19.726
  628   2HG2  THR  84          HG22      THR  84  16.987   2.793 -19.934
  629   3HG2  THR  84          HG23      THR  84  17.502   3.630 -18.448
  630    H    HIS  85           H        HIS  85  17.515  -1.383 -19.052
  631    HA   HIS  85           HA       HIS  85  17.618  -3.145 -16.824
  632   1HB   HIS  85          HB2       HIS  85  17.436  -3.956 -19.128
  633   2HB   HIS  85          HB3       HIS  85  18.982  -3.216 -19.547
  634    HD1  HIS  85           HD1      HIS  85  20.995  -4.867 -19.421
  635    HD2  HIS  85           HD2      HIS  85  17.718  -5.930 -17.000
  636    HE1  HIS  85           HE1      HIS  85  21.589  -7.096 -18.350
  637    H    GLN  86           H        GLN  86  20.015  -0.947 -18.308
  638    HA   GLN  86           HA       GLN  86  22.226  -1.891 -16.816
  639   1HB   GLN  86          HB2       GLN  86  22.493  -0.457 -18.794
  640   2HB   GLN  86          HB3       GLN  86  21.689   0.878 -17.968
  641   1HG   GLN  86          HG2       GLN  86  24.092   1.228 -17.994
  642   2HG   GLN  86          HG3       GLN  86  23.542   1.027 -16.341
  643   1HE2  GLN  86          HE22      GLN  86  24.021  -1.074 -15.236
  644   2HE2  GLN  86          HE21      GLN  86  25.383  -2.024 -15.795
  645    H    HIS  87           H        HIS  87  19.768   0.603 -16.055
  646    HA   HIS  87           HA       HIS  87  20.891   1.324 -13.528
  647   1HB   HIS  87          HB2       HIS  87  18.003   1.366 -14.444
  648   2HB   HIS  87          HB3       HIS  87  18.603   2.103 -12.962
  649    HD1  HIS  87           HD1      HIS  87  21.171   3.045 -15.375
  650    HD2  HIS  87           HD2      HIS  87  17.159   4.044 -14.639
  651    HE1  HIS  87           HE1      HIS  87  20.772   5.293 -16.499
  652    H    LYS  88           H        LYS  88  18.529  -1.197 -14.471
  653    HA   LYS  88           HA       LYS  88  17.994  -2.156 -11.866
  654   1HB   LYS  88          HB2       LYS  88  16.712  -2.850 -13.866
  655   2HB   LYS  88          HB3       LYS  88  18.118  -3.730 -14.473
  656   1HG   LYS  88          HG2       LYS  88  18.064  -5.153 -12.397
  657   2HG   LYS  88          HG3       LYS  88  16.545  -4.381 -11.954
  658   1HD   LYS  88          HD2       LYS  88  17.117  -6.003 -14.481
  659   2HD   LYS  88          HD3       LYS  88  16.272  -6.588 -13.044
  660   1HE   LYS  88          HE2       LYS  88  14.448  -4.976 -13.410
  661   2HE   LYS  88          HE3       LYS  88  15.264  -4.339 -14.848
  662   1HZ   LYS  88          HZ1       LYS  88  14.975  -6.430 -15.940
  663   2HZ   LYS  88          HZ2       LYS  88  14.389  -7.161 -14.578
  664   3HZ   LYS  88          HZ3       LYS  88  13.539  -5.998 -15.347
  665    H    GLN  89           H        GLN  89  20.657  -3.020 -14.068
  666    HA   GLN  89           HA       GLN  89  21.708  -4.909 -12.167
  667   1HB   GLN  89          HB2       GLN  89  23.032  -3.644 -14.607
  668   2HB   GLN  89          HB3       GLN  89  23.723  -4.962 -13.661
  669   1HG   GLN  89          HG2       GLN  89  21.150  -5.073 -15.282
  670   2HG   GLN  89          HG3       GLN  89  22.679  -5.822 -15.694
  671   1HE2  GLN  89          HE22      GLN  89  20.319  -7.311 -15.618
  672   2HE2  GLN  89          HE21      GLN  89  20.398  -8.437 -14.281
  673    H    ILE  90           H        ILE  90  22.292  -1.435 -12.675
  674    HA   ILE  90           HA       ILE  90  24.544  -1.359 -10.901
  675    HB   ILE  90           HB       ILE  90  22.541   0.812 -11.620
  676   1HG1  ILE  90          HG12      ILE  90  25.475   0.631 -12.439
  677   2HG1  ILE  90          HG13      ILE  90  24.231  -0.149 -13.388
  678   1HG2  ILE  90          HG21      ILE  90  25.156   1.026 -10.043
  679   2HG2  ILE  90          HG22      ILE  90  24.225   2.409 -10.639
  680   3HG2  ILE  90          HG23      ILE  90  23.530   1.352  -9.419
  681   1HD1  ILE  90          HD11      ILE  90  24.716   2.029 -14.341
  682   2HD1  ILE  90          HD12      ILE  90  23.063   2.029 -13.694
  683   3HD1  ILE  90          HD13      ILE  90  24.366   2.839 -12.806
  684    H    ILE  91           H        ILE  91  21.022  -0.975 -10.367
  685    HA   ILE  91           HA       ILE  91  21.147  -0.577  -7.576
  686    HB   ILE  91           HB       ILE  91  19.026  -1.833  -9.358
  687   1HG1  ILE  91          HG12      ILE  91  19.073   0.930  -8.072
  688   2HG1  ILE  91          HG13      ILE  91  19.798   0.648  -9.635
  689   1HG2  ILE  91          HG21      ILE  91  18.704  -0.877  -6.488
  690   2HG2  ILE  91          HG22      ILE  91  17.387  -1.389  -7.554
  691   3HG2  ILE  91          HG23      ILE  91  18.589  -2.567  -7.034
  692   1HD1  ILE  91          HD11      ILE  91  17.630   1.504 -10.027
  693   2HD1  ILE  91          HD12      ILE  91  17.623  -0.199 -10.513
  694   3HD1  ILE  91          HD13      ILE  91  16.866   0.291  -8.978
  695    H    ALA  92           H        ALA  92  20.995  -3.617  -9.431
  696    HA   ALA  92           HA       ALA  92  21.031  -5.378  -7.208
  697   1HB   ALA  92          HB1       ALA  92  22.186  -5.797 -10.008
  698   2HB   ALA  92          HB2       ALA  92  21.804  -7.074  -8.851
  699   3HB   ALA  92          HB3       ALA  92  20.496  -6.080  -9.536
  700    H    SER  93           H        SER  93  23.689  -3.813  -8.976
  701    HA   SER  93           HA       SER  93  25.789  -5.178  -7.572
  702   1HB   SER  93          HB2       SER  93  25.875  -2.507  -9.037
  703   2HB   SER  93          HB3       SER  93  27.257  -3.519  -8.599
  704    HG   SER  93           HG       SER  93  25.152  -4.117 -10.421
  705    H    GLN  94           H        GLN  94  23.902  -2.243  -6.841
  706    HA   GLN  94           HA       GLN  94  25.671  -1.354  -4.716
  707   1HB   GLN  94          HB2       GLN  94  22.677  -0.828  -5.022
  708   2HB   GLN  94          HB3       GLN  94  23.795  -0.018  -3.929
  709   1HG   GLN  94          HG2       GLN  94  25.041   0.729  -6.096
  710   2HG   GLN  94          HG3       GLN  94  23.529   0.290  -6.914
  711   1HE2  GLN  94          HE22      GLN  94  21.650   1.070  -4.844
  712   2HE2  GLN  94          HE21      GLN  94  21.749   2.803  -4.645
  713    H    PHE  95           H        PHE  95  22.710  -3.347  -4.903
  714    HA   PHE  95           HA       PHE  95  22.753  -3.565  -1.953
  715   1HB   PHE  95          HB2       PHE  95  20.554  -3.921  -3.991
  716   2HB   PHE  95          HB3       PHE  95  20.337  -3.905  -2.239
  717    HD1  PHE  95           HD1      PHE  95  19.074  -2.158  -4.484
  718    HD2  PHE  95           HD2      PHE  95  22.283  -1.425  -1.687
  719    HE1  PHE  95           HE1      PHE  95  18.525   0.262  -4.452
  720    HE2  PHE  95           HE2      PHE  95  21.822   0.954  -1.774
  721    HZ   PHE  95           HZ       PHE  95  19.875   1.815  -3.055
  722    H    GLY  96           H        GLY  96  23.995  -5.550  -4.174
  723   1HA   GLY  96          HA2       GLY  96  24.702  -7.734  -3.880
  724   2HA   GLY  96          HA3       GLY  96  23.866  -7.778  -2.317
  725    H    ARG  97           H        ARG  97  22.799  -7.246  -5.669
  726    HA   ARG  97           HA       ARG  97  21.011  -7.878  -6.818
  727   1HB   ARG  97          HB2       ARG  97  22.624  -9.855  -6.989
  728   2HB   ARG  97          HB3       ARG  97  21.510 -10.728  -5.931
  729   1HG   ARG  97          HG2       ARG  97  19.656 -10.218  -7.601
  730   2HG   ARG  97          HG3       ARG  97  20.860  -9.467  -8.649
  731   1HD   ARG  97          HD2       ARG  97  20.855 -12.372  -7.746
  732   2HD   ARG  97          HD3       ARG  97  20.250 -11.766  -9.301
  733    HE   ARG  97           HE       ARG  97  22.899 -10.851  -9.043
  734   1HH1  ARG  97          HH11      ARG  97  21.255 -13.984  -9.332
  735   2HH1  ARG  97          HH12      ARG  97  22.583 -14.772 -10.095
  736   1HH2  ARG  97          HH21      ARG  97  24.687 -11.910 -10.036
  737   2HH2  ARG  97          HH22      ARG  97  24.573 -13.561 -10.506
  738    H    TYR  98           H        TYR  98  20.075  -6.666  -4.690
  739    HA   TYR  98           HA       TYR  98  17.698  -8.123  -3.790
  740   1HB   TYR  98          HB2       TYR  98  18.934  -6.086  -2.686
  741   2HB   TYR  98          HB3       TYR  98  17.986  -5.114  -3.794
  742    HD1  TYR  98           HD1      TYR  98  17.868  -4.585  -1.012
  743    HD2  TYR  98           HD2      TYR  98  15.609  -7.563  -3.181
  744    HE1  TYR  98           HE1      TYR  98  16.107  -4.519   0.716
  745    HE2  TYR  98           HE2      TYR  98  13.888  -7.540  -1.436
  746    HH   TYR  98           HH       TYR  98  13.236  -6.673   0.643
  747    H    ARG  99           H        ARG  99  18.465  -7.969  -6.671
  748    HA   ARG  99           HA       ARG  99  17.154  -6.148  -8.277
  749   1HB   ARG  99          HB2       ARG  99  18.976  -7.891  -8.808
  750   2HB   ARG  99          HB3       ARG  99  17.678  -9.085  -8.915
  751   1HG   ARG  99          HG2       ARG  99  16.646  -7.539 -10.711
  752   2HG   ARG  99          HG3       ARG  99  18.177  -6.658 -10.684
  753   1HD   ARG  99          HD2       ARG  99  17.882  -9.648 -11.203
  754   2HD   ARG  99          HD3       ARG  99  17.914  -8.419 -12.482
  755    HE   ARG  99           HE       ARG  99  20.226  -7.818 -11.511
  756   1HH1  ARG  99          HH21      ARG  99  18.941 -11.134 -11.720
  757   2HH1  ARG  99          HH22      ARG  99  20.474 -11.845 -12.048
  758   1HH2  ARG  99          HH11      ARG  99  22.195  -8.747 -12.096
  759   2HH2  ARG  99          HH12      ARG  99  22.399 -10.467 -12.154
  760    H    ASP 100           H        ASP 100  15.784  -9.010  -6.678
  761    HA   ASP 100           HA       ASP 100  13.566  -9.525  -8.279
  762   1HB   ASP 100          HB2       ASP 100  14.251 -10.931  -6.404
  763   2HB   ASP 100          HB3       ASP 100  13.834  -9.655  -5.255
  764    H    LYS 101           H        LYS 101  13.963  -6.844  -5.919
  765    HA   LYS 101           HA       LYS 101  11.162  -6.134  -5.972
  766   1HB   LYS 101          HB2       LYS 101  13.031  -5.691  -4.179
  767   2HB   LYS 101          HB3       LYS 101  13.430  -4.274  -5.166
  768   1HG   LYS 101          HG2       LYS 101  11.060  -3.508  -4.967
  769   2HG   LYS 101          HG3       LYS 101  10.682  -4.955  -4.029
  770   1HD   LYS 101          HD2       LYS 101  12.547  -2.691  -3.198
  771   2HD   LYS 101          HD3       LYS 101  10.908  -2.990  -2.615
  772   1HE   LYS 101          HE2       LYS 101  11.738  -5.297  -1.842
  773   2HE   LYS 101          HE3       LYS 101  13.379  -4.722  -2.187
  774   1HZ   LYS 101          HZ1       LYS 101  12.757  -4.371   0.138
  775   2HZ   LYS 101          HZ2       LYS 101  12.994  -2.919  -0.611
  776   3HZ   LYS 101          HZ3       LYS 101  11.483  -3.404  -0.303
  777    H    VAL 102           H        VAL 102  13.634  -5.725  -8.316
  778    HA   VAL 102           HA       VAL 102  12.713  -3.058  -9.110
  779    HB   VAL 102           HB       VAL 102  15.058  -4.615 -10.246
  780   1HG1  VAL 102          HG11      VAL 102  14.397  -2.653 -11.562
  781   2HG1  VAL 102          HG12      VAL 102  14.401  -1.635 -10.108
  782   3HG1  VAL 102          HG13      VAL 102  15.916  -2.303 -10.737
  783   1HG2  VAL 102          HG21      VAL 102  16.593  -3.474  -8.781
  784   2HG2  VAL 102          HG22      VAL 102  15.258  -2.689  -7.900
  785   3HG2  VAL 102          HG23      VAL 102  15.495  -4.448  -7.810
  786    H    PHE 103           H        PHE 103  11.757  -2.690 -11.073
  787    HA   PHE 103           HA       PHE 103  11.764  -4.767 -13.166
  788   1HB   PHE 103          HB2       PHE 103   9.309  -3.260 -12.166
  789   2HB   PHE 103          HB3       PHE 103   9.401  -4.099 -13.709
  790    HD1  PHE 103           HD1      PHE 103   9.481  -4.618 -10.011
  791    HD2  PHE 103           HD2      PHE 103   9.107  -6.475 -13.887
  792    HE1  PHE 103           HE1      PHE 103   8.738  -6.725  -8.930
  793    HE2  PHE 103           HE2      PHE 103   8.364  -8.580 -12.802
  794    HZ   PHE 103           HZ       PHE 103   8.176  -8.709 -10.323
  795    H    THR 104           H        THR 104  11.639  -3.772 -15.260
  796    HA   THR 104           HA       THR 104  12.764  -1.086 -15.212
  797    HB   THR 104           HB       THR 104  12.235  -2.527 -17.794
  798    HG1  THR 104           HG1      THR 104  13.033  -4.182 -16.477
  799   1HG2  THR 104          HG21      THR 104  14.516  -1.684 -18.295
  800   2HG2  THR 104          HG22      THR 104  13.450  -0.358 -17.798
  801   3HG2  THR 104          HG23      THR 104  14.629  -1.028 -16.643
  802    H    LEU 105           H        LEU 105  11.901   0.699 -16.477
  803    HA   LEU 105           HA       LEU 105   9.324   1.173 -15.719
  804   1HB   LEU 105          HB2       LEU 105  10.884   2.994 -16.111
  805   2HB   LEU 105          HB3       LEU 105  10.796   2.710 -17.861
  806    HG   LEU 105           HG       LEU 105   8.370   3.238 -17.802
  807   1HD1  LEU 105          HD11      LEU 105   7.444   4.408 -15.743
  808   2HD1  LEU 105          HD12      LEU 105   7.699   2.682 -15.528
  809   3HD1  LEU 105          HD13      LEU 105   8.867   3.841 -14.848
  810   1HD2  LEU 105          HD21      LEU 105   8.505   5.581 -17.636
  811   2HD2  LEU 105          HD22      LEU 105   9.839   5.520 -16.495
  812   3HD2  LEU 105          HD23      LEU 105  10.099   5.029 -18.192
  813    H    LYS 106           H        LYS 106  10.182   0.258 -19.126
  814    HA   LYS 106           HA       LYS 106   7.316   0.074 -19.760
  815   1HB   LYS 106          HB2       LYS 106   9.787  -1.028 -21.152
  816   2HB   LYS 106          HB3       LYS 106   8.162  -1.331 -21.726
  817   1HG   LYS 106          HG2       LYS 106   9.167   1.508 -21.306
  818   2HG   LYS 106          HG3       LYS 106   9.425   0.625 -22.818
  819   1HD   LYS 106          HD2       LYS 106   7.071   0.428 -23.246
  820   2HD   LYS 106          HD3       LYS 106   6.654   0.961 -21.625
  821   1HE   LYS 106          HE2       LYS 106   6.194   2.762 -23.112
  822   2HE   LYS 106          HE3       LYS 106   7.567   3.220 -22.105
  823   1HZ   LYS 106          HZ1       LYS 106   7.817   2.209 -24.884
  824   2HZ   LYS 106          HZ2       LYS 106   7.783   3.794 -24.472
  825   3HZ   LYS 106          HZ3       LYS 106   9.028   2.856 -23.961
  826    H    GLU 107           H        GLU 107   9.844  -2.272 -18.847
  827    HA   GLU 107           HA       GLU 107   8.542  -4.588 -19.220
  828   1HB   GLU 107          HB2       GLU 107  10.890  -4.298 -18.472
  829   2HB   GLU 107          HB3       GLU 107  10.292  -3.901 -16.861
  830   1HG   GLU 107          HG2       GLU 107   9.291  -6.223 -16.733
  831   2HG   GLU 107          HG3       GLU 107  10.075  -6.577 -18.281
  832    H    TYR 108           H        TYR 108   8.110  -2.636 -16.218
  833    HA   TYR 108           HA       TYR 108   6.571  -4.578 -14.852
  834   1HB   TYR 108          HB2       TYR 108   7.636  -2.497 -13.906
  835   2HB   TYR 108          HB3       TYR 108   6.343  -1.559 -14.635
  836    HD1  TYR 108           HD1      TYR 108   4.451  -1.101 -13.326
  837    HD2  TYR 108           HD2      TYR 108   6.825  -4.560 -12.378
  838    HE1  TYR 108           HE1      TYR 108   3.086  -1.468 -11.289
  839    HE2  TYR 108           HE2      TYR 108   5.457  -4.967 -10.365
  840    HH   TYR 108           HH       TYR 108   3.590  -4.292  -9.137
  841    H    VAL 109           H        VAL 109   5.686  -2.633 -17.546
  842    HA   VAL 109           HA       VAL 109   2.770  -3.030 -17.116
  843    HB   VAL 109           HB       VAL 109   4.215  -0.957 -18.808
  844   1HG1  VAL 109          HG11      VAL 109   1.824  -1.294 -19.360
  845   2HG1  VAL 109          HG12      VAL 109   1.398  -1.003 -17.657
  846   3HG1  VAL 109          HG13      VAL 109   2.125   0.293 -18.638
  847   1HG2  VAL 109          HG21      VAL 109   4.967  -0.504 -16.551
  848   2HG2  VAL 109          HG22      VAL 109   3.696   0.646 -16.932
  849   3HG2  VAL 109          HG23      VAL 109   3.326  -0.753 -15.901
  850    H    THR 110           H        THR 110   5.341  -3.023 -19.713
  851    HA   THR 110           HA       THR 110   3.530  -4.129 -21.692
  852    HB   THR 110           HB       THR 110   5.616  -4.179 -23.056
  853    HG1  THR 110           HG1      THR 110   7.538  -3.502 -22.112
  854   1HG2  THR 110          HG21      THR 110   6.025  -1.796 -23.163
  855   2HG2  THR 110          HG22      THR 110   4.304  -2.038 -22.826
  856   3HG2  THR 110          HG23      THR 110   5.402  -1.545 -21.517
  857    H    GLY 111           H        GLY 111   5.946  -5.307 -19.425
  858   1HA   GLY 111          HA2       GLY 111   6.209  -7.552 -18.703
  859   2HA   GLY 111          HA3       GLY 111   5.494  -8.143 -20.207
  860    H    SER 112           H        SER 112   7.700  -5.629 -21.012
  861    HA   SER 112           HA       SER 112   9.966  -7.516 -21.358
  862   1HB   SER 112          HB2       SER 112   8.714  -5.792 -23.536
  863   2HB   SER 112          HB3       SER 112  10.108  -6.870 -23.716
  864    HG   SER 112           HG       SER 112   8.152  -7.819 -24.455
  865    H    HIS 113           H        HIS 113  12.007  -6.539 -21.435
  866    HA   HIS 113           HA       HIS 113  12.429  -4.126 -20.066
  867   1HB   HIS 113          HB2       HIS 113  14.211  -5.647 -22.006
  868   2HB   HIS 113          HB3       HIS 113  14.740  -4.239 -21.097
  869    HD1  HIS 113           HD1      HIS 113  14.064  -7.960 -20.563
  870    HD2  HIS 113           HD2      HIS 113  15.133  -4.479 -18.452
  871    HE1  HIS 113           HE1      HIS 113  14.904  -8.727 -18.295
  872    H    GLY 114           H        GLY 114  12.616  -1.996 -20.653
  873   1HA   GLY 114          HA2       GLY 114  13.281  -0.854 -23.070
  874   2HA   GLY 114          HA3       GLY 114  11.520  -1.077 -23.130
  875    H    ASP 115           H        ASP 115  12.128   1.467 -23.193
  876    HA   ASP 115           HA       ASP 115  11.645   2.541 -20.501
  877   1HB   ASP 115          HB2       ASP 115  14.140   2.572 -21.046
  878   2HB   ASP 115          HB3       ASP 115  13.761   3.643 -22.386
  879    H    VAL 116           H        VAL 116  11.089   4.890 -20.699
  880    HA   VAL 116           HA       VAL 116   9.260   5.506 -22.958
  881    HB   VAL 116           HB       VAL 116   9.877   6.710 -20.224
  882   1HG1  VAL 116          HG11      VAL 116   9.214   8.612 -21.620
  883   2HG1  VAL 116          HG12      VAL 116   7.764   7.738 -22.143
  884   3HG1  VAL 116          HG13      VAL 116   7.958   8.216 -20.459
  885   1HG2  VAL 116          HG21      VAL 116   7.543   6.020 -19.712
  886   2HG2  VAL 116          HG22      VAL 116   7.406   5.305 -21.325
  887   3HG2  VAL 116          HG23      VAL 116   8.559   4.643 -20.137
  888    H    LEU 117           H        LEU 117   9.570   7.855 -23.843
  889    HA   LEU 117           HA       LEU 117  12.090   8.455 -24.924
  890   1HB   LEU 117          HB2       LEU 117   9.725   9.397 -25.392
  891   2HB   LEU 117          HB3       LEU 117   9.986  10.469 -24.028
  892    HG   LEU 117           HG       LEU 117  11.521  10.390 -26.664
  893   1HD1  LEU 117          HD11      LEU 117   9.702  12.498 -25.441
  894   2HD1  LEU 117          HD12      LEU 117  10.488  12.579 -27.033
  895   3HD1  LEU 117          HD13      LEU 117   9.245  11.359 -26.728
  896   1HD2  LEU 117          HD21      LEU 117  12.589  12.523 -25.921
  897   2HD2  LEU 117          HD22      LEU 117  12.036  12.179 -24.267
  898   3HD2  LEU 117          HD23      LEU 117  13.184  11.096 -25.109
  899    H    ASP 118           H        ASP 118  13.955   9.234 -23.931
  900    HA   ASP 118           HA       ASP 118  13.874  10.191 -21.120
  901   1HB   ASP 118          HB2       ASP 118  15.572   8.576 -21.443
  902   2HB   ASP 118          HB3       ASP 118  16.145   9.362 -22.919
  903    HA   PRO 119           HA       PRO 119  13.941  14.112 -23.377
  904   1HB   PRO 119          HB2       PRO 119  12.733  15.741 -21.584
  905   2HB   PRO 119          HB3       PRO 119  11.823  14.465 -22.409
  906   1HG   PRO 119          HG2       PRO 119  13.133  14.326 -19.667
  907   2HG   PRO 119          HG3       PRO 119  11.431  13.950 -20.080
  908   1HD   PRO 119          HD2       PRO 119  13.352  12.005 -19.935
  909   2HD   PRO 119          HD3       PRO 119  12.056  11.950 -21.168
  910    H    PHE 120           H        PHE 120  15.897  13.218 -20.715
  911    HA   PHE 120           HA       PHE 120  16.513  15.498 -19.395
  912   1HB   PHE 120          HB2       PHE 120  17.353  13.320 -18.780
  913   2HB   PHE 120          HB3       PHE 120  18.444  13.304 -20.161
  914    HD1  PHE 120           HD1      PHE 120  17.631  15.266 -17.037
  915    HD2  PHE 120           HD2      PHE 120  20.647  14.179 -19.931
  916    HE1  PHE 120           HE1      PHE 120  19.355  16.391 -15.665
  917    HE2  PHE 120           HE2      PHE 120  22.368  15.315 -18.552
  918    HZ   PHE 120           HZ       PHE 120  21.728  16.423 -16.417
  919    H    GLY 121           H        GLY 121  16.930  17.480 -20.100
  920   1HA   GLY 121          HA2       GLY 121  18.434  19.138 -20.723
  921   2HA   GLY 121          HA3       GLY 121  19.395  17.968 -21.635
  922    H    GLY 122           H        GLY 122  16.159  17.505 -22.516
  923   1HA   GLY 122          HA2       GLY 122  16.451  18.805 -25.106
  924   2HA   GLY 122          HA3       GLY 122  15.078  17.872 -24.497
  925    H    SER 123           H        SER 123  14.264  19.963 -25.844
  926    HA   SER 123           HA       SER 123  13.904  22.368 -24.232
  927   1HB   SER 123          HB2       SER 123  12.329  22.895 -26.162
  928   2HB   SER 123          HB3       SER 123  14.027  22.660 -26.598
  929    HG   SER 123           HG       SER 123  12.666  21.536 -28.015
  930    H    ILE 124           H        ILE 124  11.535  23.016 -23.854
  931    HA   ILE 124           HA       ILE 124  10.193  21.230 -22.174
  932    HB   ILE 124           HB       ILE 124   9.824  23.580 -22.037
  933   1HG1  ILE 124          HG12      ILE 124   7.419  23.800 -21.912
  934   2HG1  ILE 124          HG13      ILE 124   7.169  22.414 -22.971
  935   1HG2  ILE 124          HG21      ILE 124  10.098  24.289 -24.379
  936   2HG2  ILE 124          HG22      ILE 124   8.539  23.540 -24.798
  937   3HG2  ILE 124          HG23      ILE 124   8.606  24.920 -23.693
  938   1HD1  ILE 124          HD11      ILE 124   8.536  22.227 -20.258
  939   2HD1  ILE 124          HD12      ILE 124   6.793  21.982 -20.519
  940   3HD1  ILE 124          HD13      ILE 124   7.954  20.880 -21.258
  941    H    ASP 125           H        ASP 125   9.947  21.592 -25.683
  942    HA   ASP 125           HA       ASP 125   7.567  20.114 -26.028
  943   1HB   ASP 125          HB2       ASP 125   8.599  21.436 -27.831
  944   2HB   ASP 125          HB3       ASP 125   9.908  20.247 -27.944
  945    H    ILE 126           H        ILE 126  10.897  19.015 -25.490
  946    HA   ILE 126           HA       ILE 126  10.311  16.266 -26.248
  947    HB   ILE 126           HB       ILE 126  12.644  17.222 -24.566
  948   1HG1  ILE 126          HG12      ILE 126  12.715  18.588 -26.568
  949   2HG1  ILE 126          HG13      ILE 126  13.974  17.376 -26.641
  950   1HG2  ILE 126          HG21      ILE 126  12.287  14.820 -26.418
  951   2HG2  ILE 126          HG22      ILE 126  13.763  15.230 -25.516
  952   3HG2  ILE 126          HG23      ILE 126  12.278  14.778 -24.662
  953   1HD1  ILE 126          HD11      ILE 126  12.638  16.047 -28.259
  954   2HD1  ILE 126          HD12      ILE 126  11.326  17.244 -28.158
  955   3HD1  ILE 126          HD13      ILE 126  12.899  17.702 -28.827
  956    H    TYR 127           H        TYR 127  10.348  18.140 -23.220
  957    HA   TYR 127           HA       TYR 127   9.772  15.832 -21.568
  958   1HB   TYR 127          HB2       TYR 127   9.521  18.804 -21.025
  959   2HB   TYR 127          HB3       TYR 127   9.069  17.565 -19.865
  960    HD1  TYR 127           HD1      TYR 127  11.957  18.844 -21.829
  961    HD2  TYR 127           HD2      TYR 127  10.705  16.486 -18.484
  962    HE1  TYR 127           HE1      TYR 127  14.314  18.727 -21.057
  963    HE2  TYR 127           HE2      TYR 127  13.040  16.348 -17.687
  964    HH   TYR 127           HH       TYR 127  15.233  17.040 -18.023
  965    H    LYS 128           H        LYS 128   7.865  18.191 -23.381
  966    HA   LYS 128           HA       LYS 128   5.309  17.350 -22.440
  967   1HB   LYS 128          HB2       LYS 128   5.361  19.444 -23.359
  968   2HB   LYS 128          HB3       LYS 128   6.350  18.983 -24.712
  969   1HG   LYS 128          HG2       LYS 128   3.432  18.169 -24.505
  970   2HG   LYS 128          HG3       LYS 128   3.991  19.691 -25.196
  971   1HD   LYS 128          HD2       LYS 128   5.562  18.101 -26.665
  972   2HD   LYS 128          HD3       LYS 128   4.335  16.898 -26.263
  973   1HE   LYS 128          HE2       LYS 128   3.658  17.768 -28.324
  974   2HE   LYS 128          HE3       LYS 128   2.582  18.527 -27.146
  975   1HZ   LYS 128          HZ1       LYS 128   3.485  20.087 -28.800
  976   2HZ   LYS 128          HZ2       LYS 128   3.950  20.527 -27.302
  977   3HZ   LYS 128          HZ3       LYS 128   5.020  19.785 -28.309
  978    H    GLN 129           H        GLN 129   7.289  16.216 -25.187
  979    HA   GLN 129           HA       GLN 129   5.348  14.298 -26.047
  980   1HB   GLN 129          HB2       GLN 129   8.386  14.404 -26.341
  981   2HB   GLN 129          HB3       GLN 129   7.394  13.119 -27.038
  982   1HG   GLN 129          HG2       GLN 129   6.168  14.767 -28.405
  983   2HG   GLN 129          HG3       GLN 129   7.125  16.074 -27.716
  984   1HE2  GLN 129          HE22      GLN 129   8.636  16.783 -29.272
  985   2HE2  GLN 129          HE21      GLN 129   9.568  15.685 -30.266
  986    H    THR 130           H        THR 130   8.011  14.178 -23.708
  987    HA   THR 130           HA       THR 130   7.795  11.434 -23.081
  988    HB   THR 130           HB       THR 130   8.746  13.775 -21.373
  989    HG1  THR 130           HG1      THR 130   9.921  13.611 -23.244
  990   1HG2  THR 130          HG21      THR 130   8.355  11.791 -19.959
  991   2HG2  THR 130          HG22      THR 130   9.302  10.801 -21.092
  992   3HG2  THR 130          HG23      THR 130  10.078  12.096 -20.158
  993    H    ARG 131           H        ARG 131   6.190  14.276 -21.556
  994    HA   ARG 131           HA       ARG 131   5.135  12.524 -19.551
  995   1HB   ARG 131          HB2       ARG 131   4.506  14.194 -18.340
  996   2HB   ARG 131          HB3       ARG 131   5.495  15.155 -19.406
  997   1HG   ARG 131          HG2       ARG 131   2.473  14.831 -19.717
  998   2HG   ARG 131          HG3       ARG 131   3.227  16.084 -18.726
  999   1HD   ARG 131          HD2       ARG 131   4.341  17.051 -20.615
 1000   2HD   ARG 131          HD3       ARG 131   3.836  15.709 -21.642
 1001    HE   ARG 131           HE       ARG 131   2.071  17.887 -20.555
 1002   1HH1  ARG 131          HH11      ARG 131   2.818  15.671 -23.264
 1003   2HH1  ARG 131          HH12      ARG 131   1.325  16.002 -24.067
 1004   1HH2  ARG 131          HH21      ARG 131   0.303  18.449 -21.717
 1005   2HH2  ARG 131          HH22      ARG 131  -0.133  17.647 -23.202
 1006    H    ASP 132           H        ASP 132   3.970  13.325 -22.740
 1007    HA   ASP 132           HA       ASP 132   1.297  12.351 -22.311
 1008   1HB   ASP 132          HB2       ASP 132   1.829  13.661 -24.311
 1009   2HB   ASP 132          HB3       ASP 132   3.005  12.454 -24.827
 1010    H    GLU 133           H        GLU 133   4.329  10.784 -23.412
 1011    HA   GLU 133           HA       GLU 133   3.104   8.208 -23.765
 1012   1HB   GLU 133          HB2       GLU 133   5.227   8.811 -24.869
 1013   2HB   GLU 133          HB3       GLU 133   6.017   8.996 -23.295
 1014   1HG   GLU 133          HG2       GLU 133   5.658   6.578 -22.830
 1015   2HG   GLU 133          HG3       GLU 133   4.831   6.403 -24.380
 1016    H    LEU 134           H        LEU 134   4.829   9.784 -21.136
 1017    HA   LEU 134           HA       LEU 134   4.974   7.591 -19.385
 1018   1HB   LEU 134          HB2       LEU 134   6.264   9.809 -19.381
 1019   2HB   LEU 134          HB3       LEU 134   4.827  10.542 -18.663
 1020    HG   LEU 134           HG       LEU 134   5.105   9.045 -16.684
 1021   1HD1  LEU 134          HD11      LEU 134   7.305   7.860 -16.417
 1022   2HD1  LEU 134          HD12      LEU 134   6.280   7.134 -17.659
 1023   3HD1  LEU 134          HD13      LEU 134   7.641   8.180 -18.128
 1024   1HD2  LEU 134          HD21      LEU 134   7.513  10.728 -17.527
 1025   2HD2  LEU 134          HD22      LEU 134   6.072  11.302 -16.676
 1026   3HD2  LEU 134          HD23      LEU 134   7.193  10.195 -15.871
 1027    H    GLU 135           H        GLU 135   2.428  10.090 -19.810
 1028    HA   GLU 135           HA       GLU 135   0.912   9.208 -17.561
 1029   1HB   GLU 135          HB2       GLU 135   0.628  11.422 -18.790
 1030   2HB   GLU 135          HB3       GLU 135  -0.185  10.516 -20.081
 1031   1HG   GLU 135          HG2       GLU 135  -1.759   9.647 -18.196
 1032   2HG   GLU 135          HG3       GLU 135  -1.027  10.890 -17.179
 1033    H    GLU 136           H        GLU 136   0.901   8.263 -21.004
 1034    HA   GLU 136           HA       GLU 136  -1.414   6.615 -20.769
 1035   1HB   GLU 136          HB2       GLU 136  -0.511   7.493 -22.917
 1036   2HB   GLU 136          HB3       GLU 136   0.892   6.425 -22.764
 1037   1HG   GLU 136          HG2       GLU 136  -0.582   4.444 -22.865
 1038   2HG   GLU 136          HG3       GLU 136  -2.007   5.485 -22.906
 1039    H    LEU 137           H        LEU 137   2.050   5.970 -20.394
 1040    HA   LEU 137           HA       LEU 137   1.843   3.174 -19.897
 1041   1HB   LEU 137          HB2       LEU 137   4.004   4.430 -20.356
 1042   2HB   LEU 137          HB3       LEU 137   3.821   5.225 -18.798
 1043    HG   LEU 137           HG       LEU 137   3.748   2.762 -17.816
 1044   1HD1  LEU 137          HD11      LEU 137   3.635   1.586 -19.988
 1045   2HD1  LEU 137          HD12      LEU 137   5.161   2.341 -20.482
 1046   3HD1  LEU 137          HD13      LEU 137   5.139   1.186 -19.133
 1047   1HD2  LEU 137          HD21      LEU 137   6.106   2.772 -17.499
 1048   2HD2  LEU 137          HD22      LEU 137   6.335   3.938 -18.835
 1049   3HD2  LEU 137          HD23      LEU 137   5.481   4.413 -17.343
 1050    H    LEU 138           H        LEU 138   1.760   6.008 -17.724
 1051    HA   LEU 138           HA       LEU 138   1.699   4.343 -15.411
 1052   1HB   LEU 138          HB2       LEU 138   1.265   7.302 -15.816
 1053   2HB   LEU 138          HB3       LEU 138   1.134   6.560 -14.227
 1054    HG   LEU 138           HG       LEU 138   3.625   6.315 -15.975
 1055   1HD1  LEU 138          HD11      LEU 138   3.184   8.656 -15.352
 1056   2HD1  LEU 138          HD12      LEU 138   3.104   8.189 -13.634
 1057   3HD1  LEU 138          HD13      LEU 138   4.622   8.008 -14.545
 1058   1HD2  LEU 138          HD21      LEU 138   4.801   5.603 -14.014
 1059   2HD2  LEU 138          HD22      LEU 138   3.378   5.815 -12.990
 1060   3HD2  LEU 138          HD23      LEU 138   3.408   4.547 -14.225
 1061    H    ARG 139           H        ARG 139  -0.901   5.613 -17.424
 1062    HA   ARG 139           HA       ARG 139  -2.967   4.909 -15.543
 1063   1HB   ARG 139          HB2       ARG 139  -2.964   5.214 -18.570
 1064   2HB   ARG 139          HB3       ARG 139  -4.411   4.782 -17.644
 1065   1HG   ARG 139          HG2       ARG 139  -4.231   6.848 -16.309
 1066   2HG   ARG 139          HG3       ARG 139  -2.767   7.314 -17.184
 1067   1HD   ARG 139          HD2       ARG 139  -4.059   7.319 -19.314
 1068   2HD   ARG 139          HD3       ARG 139  -5.531   6.939 -18.412
 1069    HE   ARG 139           HE       ARG 139  -4.089   9.506 -18.564
 1070   1HH1  ARG 139          HH11      ARG 139  -6.618   7.734 -16.775
 1071   2HH1  ARG 139          HH12      ARG 139  -7.327   9.174 -16.143
 1072   1HH2  ARG 139          HH21      ARG 139  -4.954  11.282 -17.794
 1073   2HH2  ARG 139          HH22      ARG 139  -6.356  11.308 -16.738
 1074    H    GLN 140           H        GLN 140  -1.217   3.043 -18.064
 1075    HA   GLN 140           HA       GLN 140  -2.707   0.635 -17.503
 1076   1HB   GLN 140          HB2       GLN 140   0.040   0.975 -18.722
 1077   2HB   GLN 140          HB3       GLN 140  -0.858  -0.551 -18.606
 1078   1HG   GLN 140          HG2       GLN 140  -2.694   0.598 -19.968
 1079   2HG   GLN 140          HG3       GLN 140  -1.517   1.885 -20.282
 1080   1HE2  GLN 140          HE22      GLN 140   0.807   0.865 -20.990
 1081   2HE2  GLN 140          HE21      GLN 140   0.699  -0.400 -22.184
 1082    H    LEU 141           H        LEU 141   0.250   2.097 -16.147
 1083    HA   LEU 141           HA       LEU 141   0.994  -0.046 -14.485
 1084   1HB   LEU 141          HB2       LEU 141   2.208   2.143 -15.063
 1085   2HB   LEU 141          HB3       LEU 141   1.330   2.869 -13.721
 1086    HG   LEU 141           HG       LEU 141   2.709   0.340 -12.977
 1087   1HD1  LEU 141          HD11      LEU 141   4.928   1.135 -13.122
 1088   2HD1  LEU 141          HD12      LEU 141   4.245   1.200 -14.725
 1089   3HD1  LEU 141          HD13      LEU 141   4.440   2.693 -13.784
 1090   1HD2  LEU 141          HD21      LEU 141   3.495   1.645 -11.091
 1091   2HD2  LEU 141          HD22      LEU 141   2.872   3.139 -11.819
 1092   3HD2  LEU 141          HD23      LEU 141   1.752   1.858 -11.297
 1093    H    ALA 142           H        ALA 142  -1.320   2.609 -13.880
 1094    HA   ALA 142           HA       ALA 142  -1.985   1.852 -11.221
 1095   1HB   ALA 142          HB1       ALA 142  -2.593   4.045 -12.215
 1096   2HB   ALA 142          HB2       ALA 142  -3.734   3.236 -13.311
 1097   3HB   ALA 142          HB3       ALA 142  -4.005   3.201 -11.559
 1098    H    LYS 143           H        LYS 143  -3.334   0.881 -14.365
 1099    HA   LYS 143           HA       LYS 143  -5.303  -0.925 -13.401
 1100   1HB   LYS 143          HB2       LYS 143  -5.613  -0.415 -15.599
 1101   2HB   LYS 143          HB3       LYS 143  -3.906  -0.389 -15.977
 1102   1HG   LYS 143          HG2       LYS 143  -3.811  -2.835 -16.029
 1103   2HG   LYS 143          HG3       LYS 143  -5.544  -2.914 -15.614
 1104   1HD   LYS 143          HD2       LYS 143  -6.054  -1.665 -17.733
 1105   2HD   LYS 143          HD3       LYS 143  -4.322  -1.587 -18.082
 1106   1HE   LYS 143          HE2       LYS 143  -5.229  -3.355 -19.407
 1107   2HE   LYS 143          HE3       LYS 143  -4.226  -4.081 -18.151
 1108   1HZ   LYS 143          HZ1       LYS 143  -7.189  -3.912 -18.090
 1109   2HZ   LYS 143          HZ2       LYS 143  -6.327  -5.247 -18.436
 1110   3HZ   LYS 143          HZ3       LYS 143  -6.266  -4.619 -16.937
 1111    H    GLN 144           H        GLN 144  -1.842  -1.472 -14.129
 1112    HA   GLN 144           HA       GLN 144  -1.815  -4.240 -13.436
 1113   1HB   GLN 144          HB2       GLN 144   0.400  -2.141 -13.223
 1114   2HB   GLN 144          HB3       GLN 144   0.652  -3.849 -12.966
 1115   1HG   GLN 144          HG2       GLN 144  -0.428  -2.794 -15.606
 1116   2HG   GLN 144          HG3       GLN 144   1.289  -2.851 -15.234
 1117   1HE2  GLN 144          HE22      GLN 144   2.400  -4.843 -15.348
 1118   2HE2  GLN 144          HE21      GLN 144   1.605  -6.341 -15.790
 1119    H    LEU 145           H        LEU 145  -1.263  -1.294 -11.390
 1120    HA   LEU 145           HA       LEU 145  -0.686  -2.776  -9.054
 1121   1HB   LEU 145          HB2       LEU 145  -2.001  -0.027  -9.218
 1122   2HB   LEU 145          HB3       LEU 145  -1.426  -0.798  -7.752
 1123    HG   LEU 145           HG       LEU 145   0.145   0.424  -9.974
 1124   1HD1  LEU 145          HD11      LEU 145   1.213   1.594  -8.194
 1125   2HD1  LEU 145          HD12      LEU 145  -0.521   1.616  -7.843
 1126   3HD1  LEU 145          HD13      LEU 145   0.535   0.495  -6.965
 1127   1HD2  LEU 145          HD21      LEU 145   1.229  -1.756  -9.820
 1128   2HD2  LEU 145          HD22      LEU 145   2.245  -0.565  -8.999
 1129   3HD2  LEU 145          HD23      LEU 145   1.223  -1.673  -8.051
 1130    H    LYS 146           H        LYS 146  -3.869  -1.562 -10.248
 1131    HA   LYS 146           HA       LYS 146  -5.261  -2.174  -7.903
 1132   1HB   LYS 146          HB2       LYS 146  -5.953  -1.521 -10.713
 1133   2HB   LYS 146          HB3       LYS 146  -7.206  -2.450  -9.859
 1134   1HG   LYS 146          HG2       LYS 146  -7.069  -0.801  -7.975
 1135   2HG   LYS 146          HG3       LYS 146  -5.905   0.135  -8.932
 1136   1HD   LYS 146          HD2       LYS 146  -7.589   0.559 -10.654
 1137   2HD   LYS 146          HD3       LYS 146  -8.746  -0.521  -9.839
 1138   1HE   LYS 146          HE2       LYS 146  -8.725   0.946  -7.839
 1139   2HE   LYS 146          HE3       LYS 146  -7.569   2.022  -8.633
 1140   1HZ   LYS 146          HZ1       LYS 146 -10.339   1.517  -9.549
 1141   2HZ   LYS 146          HZ2       LYS 146  -9.773   2.884  -8.828
 1142   3HZ   LYS 146          HZ3       LYS 146  -9.245   2.480 -10.326
 1143    H    LYS 147           H        LYS 147  -3.886  -4.503  -9.902
 1144    HA   LYS 147           HA       LYS 147  -5.561  -6.776  -9.484
 1145   1HB   LYS 147          HB2       LYS 147  -3.642  -6.589 -11.066
 1146   2HB   LYS 147          HB3       LYS 147  -2.571  -6.387  -9.687
 1147   1HG   LYS 147          HG2       LYS 147  -3.018  -8.690  -8.930
 1148   2HG   LYS 147          HG3       LYS 147  -4.190  -8.887 -10.240
 1149   1HD   LYS 147          HD2       LYS 147  -2.206  -9.978 -10.921
 1150   2HD   LYS 147          HD3       LYS 147  -2.324  -8.531 -11.906
 1151   1HE   LYS 147          HE2       LYS 147  -0.577  -8.792  -9.406
 1152   2HE   LYS 147          HE3       LYS 147  -0.014  -9.152 -11.038
 1153   1HZ   LYS 147          HZ1       LYS 147  -0.858  -6.505 -10.023
 1154   2HZ   LYS 147          HZ2       LYS 147   0.613  -6.926 -10.361
 1155   3HZ   LYS 147          HZ3       LYS 147  -0.469  -6.801 -11.611
 1156    H    ASP 148           H        ASP 148  -2.866  -5.352  -7.480
 1157    HA   ASP 148           HA       ASP 148  -3.936  -6.643  -5.036
 1158   1HB   ASP 148          HB2       ASP 148  -2.487  -8.335  -6.285
 1159   2HB   ASP 148          HB3       ASP 148  -1.127  -7.234  -6.060
 1160    H    ARG 149           H        ARG 149  -3.451  -3.887  -5.947
 1161    HA   ARG 149           HA       ARG 149  -2.253  -2.085  -5.970
 1162   1HB   ARG 149          HB2       ARG 149  -1.395  -1.019  -4.034
 1163   2HB   ARG 149          HB3       ARG 149  -3.011  -1.656  -3.784
 1164   1HG   ARG 149          HG2       ARG 149  -2.218  -3.396  -2.334
 1165   2HG   ARG 149          HG3       ARG 149  -0.534  -3.111  -2.787
 1166   1HD   ARG 149          HD2       ARG 149  -1.016  -2.168  -0.561
 1167   2HD   ARG 149          HD3       ARG 149  -0.525  -0.939  -1.715
 1168    HE   ARG 149           HE       ARG 149  -2.547   0.086  -1.597
 1169   1HH1  ARG 149          HH21      ARG 149  -2.786  -3.017   0.126
 1170   2HH1  ARG 149          HH22      ARG 149  -4.430  -2.806   0.594
 1171   1HH2  ARG 149          HH11      ARG 149  -4.840   0.252  -1.143
 1172   2HH2  ARG 149          HH12      ARG 149  -5.590  -0.872  -0.079
 1173    H    ARG 150           H        ARG 150  -0.950  -4.677  -6.687
 1174    HA   ARG 150           HA       ARG 150   1.687  -3.754  -7.347
 1175   1HB   ARG 150          HB2       ARG 150   1.251  -6.308  -5.697
 1176   2HB   ARG 150          HB3       ARG 150   2.634  -6.029  -6.726
 1177   1HG   ARG 150          HG2       ARG 150   3.538  -5.515  -4.716
 1178   2HG   ARG 150          HG3       ARG 150   3.126  -3.933  -5.346
 1179   1HD   ARG 150          HD2       ARG 150   2.575  -4.091  -2.960
 1180   2HD   ARG 150          HD3       ARG 150   1.116  -3.891  -3.893
 1181    HE   ARG 150           HE       ARG 150   0.408  -6.019  -3.425
 1182   1HH1  ARG 150          HH21      ARG 150   3.672  -5.505  -2.002
 1183   2HH1  ARG 150          HH22      ARG 150   3.680  -7.048  -1.217
 1184   1HH2  ARG 150          HH11      ARG 150   0.549  -8.077  -2.582
 1185   2HH2  ARG 150          HH12      ARG 150   1.817  -8.532  -1.472
  Start of MODEL    2
    1   1H    MET   1           H1       MET   1   0.773  -1.090  -0.157
    2   2H    MET   1           H2       MET   1   1.984  -0.271   0.587
    3   3H    MET   1           H3       MET   1   0.833   0.552  -0.222
    4    HA   MET   1           HA       MET   1   2.840  -1.236  -1.405
    5   1HB   MET   1          HB2       MET   1   0.719  -1.382  -2.639
    6   2HB   MET   1          HB3       MET   1   0.639   0.376  -2.783
    7   1HG   MET   1          HG2       MET   1   1.446  -0.843  -4.829
    8   2HG   MET   1          HG3       MET   1   2.540   0.418  -4.274
    9   1HE   MET   1          HE1       MET   1   2.658  -2.641  -6.028
   10   2HE   MET   1          HE2       MET   1   3.901  -1.380  -6.304
   11   3HE   MET   1          HE3       MET   1   4.360  -3.016  -5.787
   12    H    ASP   2           H        ASP   2   4.738  -0.178  -2.158
   13    HA   ASP   2           HA       ASP   2   4.860   2.750  -1.883
   14   1HB   ASP   2          HB2       ASP   2   5.403   1.652   0.322
   15   2HB   ASP   2          HB3       ASP   2   6.794   0.916  -0.461
   16    H    ILE   3           H        ILE   3   5.917   3.493  -3.684
   17    HA   ILE   3           HA       ILE   3   7.469   1.537  -5.285
   18    HB   ILE   3           HB       ILE   3   5.773   3.815  -6.323
   19   1HG1  ILE   3          HG12      ILE   3   4.988   0.889  -5.994
   20   2HG1  ILE   3          HG13      ILE   3   4.254   2.281  -5.198
   21   1HG2  ILE   3          HG21      ILE   3   6.839   1.407  -7.829
   22   2HG2  ILE   3          HG22      ILE   3   5.950   2.774  -8.518
   23   3HG2  ILE   3          HG23      ILE   3   7.558   3.030  -7.884
   24   1HD1  ILE   3          HD11      ILE   3   3.507   3.125  -7.447
   25   2HD1  ILE   3          HD12      ILE   3   4.041   1.564  -8.134
   26   3HD1  ILE   3          HD13      ILE   3   2.770   1.609  -6.897
   27    H    ILE   4           H        ILE   4   9.453   2.250  -6.169
   28    HA   ILE   4           HA       ILE   4  10.095   5.142  -5.884
   29    HB   ILE   4           HB       ILE   4  12.177   2.942  -5.877
   30   1HG1  ILE   4          HG12      ILE   4  11.169   4.429  -3.417
   31   2HG1  ILE   4          HG13      ILE   4  10.761   2.758  -3.818
   32   1HG2  ILE   4          HG21      ILE   4  12.346   5.895  -5.100
   33   2HG2  ILE   4          HG22      ILE   4  13.698   4.750  -5.226
   34   3HG2  ILE   4          HG23      ILE   4  12.845   5.237  -6.672
   35   1HD1  ILE   4          HD11      ILE   4  13.147   2.113  -3.739
   36   2HD1  ILE   4          HD12      ILE   4  13.565   3.770  -3.273
   37   3HD1  ILE   4          HD13      ILE   4  12.565   2.780  -2.207
   38    H    PHE   5           H        PHE   5  10.102   6.067  -7.859
   39    HA   PHE   5           HA       PHE   5  10.692   4.492 -10.281
   40   1HB   PHE   5          HB2       PHE   5  10.085   7.455  -9.838
   41   2HB   PHE   5          HB3       PHE   5  10.335   6.709 -11.404
   42    HD1  PHE   5           HD1      PHE   5   8.717   4.924 -12.225
   43    HD2  PHE   5           HD2      PHE   5   7.928   7.348  -8.742
   44    HE1  PHE   5           HE1      PHE   5   6.311   4.371 -12.379
   45    HE2  PHE   5           HE2      PHE   5   5.519   6.761  -8.890
   46    HZ   PHE   5           HZ       PHE   5   4.708   5.266 -10.703
   47    H    VAL   6           H        VAL   6  12.822   4.479 -11.171
   48    HA   VAL   6           HA       VAL   6  14.740   6.435 -10.050
   49    HB   VAL   6           HB       VAL   6  14.745   4.634  -8.503
   50   1HG1  VAL   6          HG11      VAL   6  15.275   2.342  -9.000
   51   2HG1  VAL   6          HG12      VAL   6  13.826   2.795  -9.890
   52   3HG1  VAL   6          HG13      VAL   6  15.395   2.686 -10.734
   53   1HG2  VAL   6          HG21      VAL   6  16.909   5.618  -8.949
   54   2HG2  VAL   6          HG22      VAL   6  17.100   3.902  -8.602
   55   3HG2  VAL   6          HG23      VAL   6  17.218   4.459 -10.273
   56    H    CYS   7           H        CYS   7  16.373   7.049 -11.248
   57    HA   CYS   7           HA       CYS   7  17.145   5.743 -13.751
   58   1HB   CYS   7          HB2       CYS   7  15.136   7.485 -14.083
   59   2HB   CYS   7          HB3       CYS   7  16.364   8.688 -13.745
   60    HG   CYS   7           HG       CYS   7  16.118   8.640 -16.285
   61    H    THR   8           H        THR   8  19.356   6.353 -14.249
   62    HA   THR   8           HA       THR   8  20.892   7.576 -12.186
   63    HB   THR   8           HB       THR   8  21.697   7.364 -15.117
   64    HG1  THR   8           HG1      THR   8  21.266   5.348 -14.791
   65   1HG2  THR   8          HG21      THR   8  23.932   6.950 -14.092
   66   2HG2  THR   8          HG22      THR   8  23.294   8.544 -13.635
   67   3HG2  THR   8          HG23      THR   8  23.226   7.192 -12.480
   68    H    GLY   9           H        GLY   9  20.918   9.684 -11.622
   69   1HA   GLY   9          HA2       GLY   9  21.336  11.944 -12.125
   70   2HA   GLY   9          HA3       GLY   9  20.443  11.802 -13.648
   71    H    ASN  10           H        ASN  10  18.390  10.124 -11.940
   72    HA   ASN  10           HA       ASN  10  16.355  10.387 -11.123
   73   1HB   ASN  10          HB2       ASN  10  17.297  10.955  -9.017
   74   2HB   ASN  10          HB3       ASN  10  17.661  12.599  -9.521
   75   1HD2  ASN  10          HD22      ASN  10  14.884  10.397  -8.837
   76   2HD2  ASN  10          HD21      ASN  10  13.838  11.713  -8.305
   77    H    THR  11           H        THR  11  17.365  13.825 -11.685
   78    HA   THR  11           HA       THR  11  14.755  14.758 -12.055
   79    HB   THR  11           HB       THR  11  15.939  16.758 -12.993
   80    HG1  THR  11           HG1      THR  11  18.196  16.676 -13.090
   81   1HG2  THR  11          HG21      THR  11  17.346  15.619 -10.539
   82   2HG2  THR  11          HG22      THR  11  17.133  17.327 -10.958
   83   3HG2  THR  11          HG23      THR  11  15.726  16.346 -10.506
   84    H    CYS  12           H        CYS  12  16.878  13.224 -14.333
   85    HA   CYS  12           HA       CYS  12  15.993  14.066 -16.815
   86   1HB   CYS  12          HB2       CYS  12  16.682  11.649 -17.462
   87   2HB   CYS  12          HB3       CYS  12  17.898  12.702 -16.725
   88    HG   CYS  12           HG       CYS  12  18.305  10.375 -15.703
   89    H    ARG  13           H        ARG  13  14.338  11.715 -14.650
   90    HA   ARG  13           HA       ARG  13  11.897  12.413 -15.967
   91   1HB   ARG  13          HB2       ARG  13  13.056  10.462 -17.462
   92   2HB   ARG  13          HB3       ARG  13  12.285   9.435 -16.253
   93   1HG   ARG  13          HG2       ARG  13  10.117  10.760 -16.728
   94   2HG   ARG  13          HG3       ARG  13  10.976  11.510 -18.075
   95   1HD   ARG  13          HD2       ARG  13  10.339   8.557 -17.692
   96   2HD   ARG  13          HD3       ARG  13   9.596   9.658 -18.847
   97    HE   ARG  13           HE       ARG  13  11.560   9.728 -20.160
   98   1HH1  ARG  13          HH21      ARG  13  11.708   7.195 -17.616
   99   2HH1  ARG  13          HH22      ARG  13  12.679   6.179 -18.643
  100   1HH2  ARG  13          HH11      ARG  13  13.095   8.436 -21.217
  101   2HH2  ARG  13          HH12      ARG  13  13.708   6.984 -20.481
  102    H    SER  14           H        SER  14  13.561  10.404 -13.512
  103    HA   SER  14           HA       SER  14  11.485   8.935 -12.584
  104   1HB   SER  14          HB2       SER  14  13.466  10.245 -10.734
  105   2HB   SER  14          HB3       SER  14  12.732   8.633 -10.628
  106    HG   SER  14           HG       SER  14  14.908   8.662 -11.372
  107    HA   PRO  15           HA       PRO  15   9.765  12.196  -9.668
  108   1HB   PRO  15          HB2       PRO  15  10.205  14.847  -9.864
  109   2HB   PRO  15          HB3       PRO  15  11.327  13.731  -9.027
  110   1HG   PRO  15          HG2       PRO  15  11.563  14.783 -11.861
  111   2HG   PRO  15          HG3       PRO  15  12.816  14.763 -10.574
  112   1HD   PRO  15          HD2       PRO  15  12.651  12.828 -12.471
  113   2HD   PRO  15          HD3       PRO  15  13.137  12.446 -10.793
  114    H    MET  16           H        MET  16   9.933  12.842 -13.149
  115    HA   MET  16           HA       MET  16   7.372  14.163 -13.329
  116   1HB   MET  16          HB2       MET  16   8.779  12.407 -15.389
  117   2HB   MET  16          HB3       MET  16   7.369  13.411 -15.670
  118   1HG   MET  16          HG2       MET  16   8.632  15.435 -15.334
  119   2HG   MET  16          HG3       MET  16  10.041  14.534 -14.767
  120   1HE   MET  16          HE1       MET  16   7.678  15.207 -17.812
  121   2HE   MET  16          HE2       MET  16   8.580  14.520 -19.178
  122   3HE   MET  16          HE3       MET  16   7.832  13.433 -17.987
  123    H    ALA  17           H        ALA  17   8.589  10.811 -13.438
  124    HA   ALA  17           HA       ALA  17   6.051   9.606 -13.850
  125   1HB   ALA  17          HB1       ALA  17   8.518   8.389 -12.519
  126   2HB   ALA  17          HB2       ALA  17   7.155   7.504 -13.220
  127   3HB   ALA  17          HB3       ALA  17   8.236   8.437 -14.272
  128    H    GLU  18           H        GLU  18   7.877  10.377 -10.900
  129    HA   GLU  18           HA       GLU  18   6.074   9.267  -9.048
  130   1HB   GLU  18          HB2       GLU  18   8.399  10.208  -8.598
  131   2HB   GLU  18          HB3       GLU  18   7.715  11.826  -8.758
  132   1HG   GLU  18          HG2       GLU  18   6.090  11.087  -6.851
  133   2HG   GLU  18          HG3       GLU  18   7.253   9.777  -6.590
  134    H    ALA  19           H        ALA  19   6.134  12.533 -10.471
  135    HA   ALA  19           HA       ALA  19   3.917  13.470  -8.940
  136   1HB   ALA  19          HB1       ALA  19   5.075  14.487 -11.578
  137   2HB   ALA  19          HB2       ALA  19   4.018  15.403 -10.484
  138   3HB   ALA  19          HB3       ALA  19   5.635  14.936  -9.948
  139    H    LEU  20           H        LEU  20   4.195  12.055 -12.175
  140    HA   LEU  20           HA       LEU  20   1.431  12.410 -12.877
  141   1HB   LEU  20          HB2       LEU  20   3.585  10.504 -13.850
  142   2HB   LEU  20          HB3       LEU  20   1.923  10.384 -14.426
  143    HG   LEU  20           HG       LEU  20   3.801  12.734 -14.851
  144   1HD1  LEU  20          HD11      LEU  20   2.551  10.772 -16.795
  145   2HD1  LEU  20          HD12      LEU  20   3.703  12.065 -17.185
  146   3HD1  LEU  20          HD13      LEU  20   4.210  10.688 -16.184
  147   1HD2  LEU  20          HD21      LEU  20   0.894  12.378 -15.710
  148   2HD2  LEU  20          HD22      LEU  20   1.551  13.656 -14.660
  149   3HD2  LEU  20          HD23      LEU  20   2.012  13.596 -16.364
  150    H    PHE  21           H        PHE  21   3.233   9.737 -11.276
  151    HA   PHE  21           HA       PHE  21   0.864   8.140 -11.294
  152   1HB   PHE  21          HB2       PHE  21   3.256   7.242 -11.091
  153   2HB   PHE  21          HB3       PHE  21   3.128   7.617  -9.365
  154    HD1  PHE  21           HD1      PHE  21   1.630   5.722 -12.204
  155    HD2  PHE  21           HD2      PHE  21   1.584   6.277  -7.932
  156    HE1  PHE  21           HE1      PHE  21   0.051   3.844 -11.978
  157    HE2  PHE  21           HE2      PHE  21   0.032   4.344  -7.716
  158    HZ   PHE  21           HZ       PHE  21  -0.763   3.157  -9.736
  159    H    LYS  22           H        LYS  22   2.213  10.422  -8.912
  160    HA   LYS  22           HA       LYS  22   0.305   9.836  -6.880
  161   1HB   LYS  22          HB2       LYS  22   1.784  12.403  -7.616
  162   2HB   LYS  22          HB3       LYS  22   0.666  12.323  -6.247
  163   1HG   LYS  22          HG2       LYS  22   1.981  10.601  -5.154
  164   2HG   LYS  22          HG3       LYS  22   3.042  10.461  -6.553
  165   1HD   LYS  22          HD2       LYS  22   3.918  12.709  -6.230
  166   2HD   LYS  22          HD3       LYS  22   2.755  13.016  -4.918
  167   1HE   LYS  22          HE2       LYS  22   3.760  11.229  -3.565
  168   2HE   LYS  22          HE3       LYS  22   4.886  10.833  -4.871
  169   1HZ   LYS  22          HZ1       LYS  22   6.018  12.856  -4.570
  170   2HZ   LYS  22          HZ2       LYS  22   4.862  13.481  -3.562
  171   3HZ   LYS  22          HZ3       LYS  22   5.811  12.245  -3.078
  172    H    SER  23           H        SER  23   0.119  12.063  -9.670
  173    HA   SER  23           HA       SER  23  -2.511  12.914  -9.049
  174   1HB   SER  23          HB2       SER  23  -0.949  13.986 -10.717
  175   2HB   SER  23          HB3       SER  23  -1.319  12.660 -11.840
  176    HG   SER  23           HG       SER  23  -2.660  14.508 -12.158
  177    H    ILE  24           H        ILE  24  -1.421  10.144 -11.047
  178    HA   ILE  24           HA       ILE  24  -4.130   9.519 -11.784
  179    HB   ILE  24           HB       ILE  24  -1.630   7.807 -11.985
  180   1HG1  ILE  24          HG12      ILE  24  -3.183   9.368 -14.125
  181   2HG1  ILE  24          HG13      ILE  24  -1.717   9.954 -13.361
  182   1HG2  ILE  24          HG21      ILE  24  -2.963   6.403 -13.574
  183   2HG2  ILE  24          HG22      ILE  24  -3.659   6.364 -11.969
  184   3HG2  ILE  24          HG23      ILE  24  -4.406   7.390 -13.209
  185   1HD1  ILE  24          HD11      ILE  24  -1.969   7.563 -15.210
  186   2HD1  ILE  24          HD12      ILE  24  -1.020   9.040 -15.416
  187   3HD1  ILE  24          HD13      ILE  24  -0.538   7.864 -14.190
  188    H    ALA  25           H        ALA  25  -2.035   8.484  -9.115
  189    HA   ALA  25           HA       ALA  25  -3.724   6.407  -8.162
  190   1HB   ALA  25          HB1       ALA  25  -1.400   6.643  -7.384
  191   2HB   ALA  25          HB2       ALA  25  -1.793   8.209  -6.634
  192   3HB   ALA  25          HB3       ALA  25  -2.524   6.718  -6.014
  193    H    GLU  26           H        GLU  26  -3.641   9.933  -7.565
  194    HA   GLU  26           HA       GLU  26  -5.793   9.897  -5.709
  195   1HB   GLU  26          HB2       GLU  26  -4.152  11.767  -6.018
  196   2HB   GLU  26          HB3       GLU  26  -4.882  12.125  -7.581
  197   1HG   GLU  26          HG2       GLU  26  -7.074  12.551  -6.358
  198   2HG   GLU  26          HG3       GLU  26  -6.180  12.380  -4.844
  199    H    ARG  27           H        ARG  27  -5.747  10.181  -9.281
  200    HA   ARG  27           HA       ARG  27  -8.558  10.608  -9.602
  201   1HB   ARG  27          HB2       ARG  27  -6.794   8.989 -11.485
  202   2HB   ARG  27          HB3       ARG  27  -8.350   9.686 -11.870
  203   1HG   ARG  27          HG2       ARG  27  -5.845  11.292 -11.289
  204   2HG   ARG  27          HG3       ARG  27  -6.382  10.813 -12.864
  205   1HD   ARG  27          HD2       ARG  27  -6.937  13.139 -12.456
  206   2HD   ARG  27          HD3       ARG  27  -8.396  12.176 -12.664
  207    HE   ARG  27           HE       ARG  27  -9.101  12.879 -10.655
  208   1HH1  ARG  27          HH21      ARG  27  -5.505  13.098 -10.409
  209   2HH1  ARG  27          HH22      ARG  27  -5.623  13.993  -8.912
  210   1HH2  ARG  27          HH11      ARG  27  -9.060  14.023  -8.636
  211   2HH2  ARG  27          HH12      ARG  27  -7.503  14.455  -7.956
  212    H    GLU  28           H        GLU  28  -6.651   7.632  -9.396
  213    HA   GLU  28           HA       GLU  28  -8.955   5.918  -9.798
  214   1HB   GLU  28          HB2       GLU  28  -6.003   5.479  -9.174
  215   2HB   GLU  28          HB3       GLU  28  -7.122   4.138  -9.301
  216   1HG   GLU  28          HG2       GLU  28  -6.522   6.150 -11.507
  217   2HG   GLU  28          HG3       GLU  28  -5.917   4.500 -11.404
  218    H    GLY  29           H        GLY  29  -7.444   7.277  -6.970
  219   1HA   GLY  29          HA2       GLY  29  -7.936   7.061  -4.737
  220   2HA   GLY  29          HA3       GLY  29  -9.250   5.923  -5.112
  221    H    LEU  30           H        LEU  30  -5.853   5.648  -6.240
  222    HA   LEU  30           HA       LEU  30  -5.824   2.861  -5.308
  223   1HB   LEU  30          HB2       LEU  30  -4.733   4.241  -7.521
  224   2HB   LEU  30          HB3       LEU  30  -3.328   3.865  -6.534
  225    HG   LEU  30           HG       LEU  30  -5.454   1.843  -7.348
  226   1HD1  LEU  30          HD11      LEU  30  -3.853   1.048  -9.051
  227   2HD1  LEU  30          HD12      LEU  30  -4.345   2.720  -9.337
  228   3HD1  LEU  30          HD13      LEU  30  -2.748   2.379  -8.631
  229   1HD2  LEU  30          HD21      LEU  30  -4.134   1.148  -5.350
  230   2HD2  LEU  30          HD22      LEU  30  -3.787   0.133  -6.751
  231   3HD2  LEU  30          HD23      LEU  30  -2.633   1.392  -6.267
  232    H    ASN  31           H        ASN  31  -5.115   2.399  -3.283
  233    HA   ASN  31           HA       ASN  31  -3.748   4.361  -1.647
  234   1HB   ASN  31          HB2       ASN  31  -5.275   2.749  -0.615
  235   2HB   ASN  31          HB3       ASN  31  -4.292   1.395  -1.193
  236   1HD2  ASN  31          HD22      ASN  31  -4.093   4.381   0.864
  237   2HD2  ASN  31          HD21      ASN  31  -2.879   3.740   1.936
  238    H    VAL  32           H        VAL  32  -1.704   4.919  -2.256
  239    HA   VAL  32           HA       VAL  32   0.369   2.845  -2.187
  240    HB   VAL  32           HB       VAL  32   1.515   3.738  -4.161
  241   1HG1  VAL  32          HG11      VAL  32  -1.284   2.922  -5.004
  242   2HG1  VAL  32          HG12      VAL  32   0.222   2.777  -5.934
  243   3HG1  VAL  32          HG13      VAL  32  -0.012   1.795  -4.486
  244   1HG2  VAL  32          HG21      VAL  32  -0.981   5.371  -4.768
  245   2HG2  VAL  32          HG22      VAL  32   0.554   6.046  -4.183
  246   3HG2  VAL  32          HG23      VAL  32   0.496   5.251  -5.748
  247    H    ASN  33           H        ASN  33   2.539   3.935  -2.100
  248    HA   ASN  33           HA       ASN  33   2.564   6.828  -1.589
  249   1HB   ASN  33          HB2       ASN  33   3.096   5.688   0.614
  250   2HB   ASN  33          HB3       ASN  33   4.331   4.735  -0.229
  251   1HD2  ASN  33          HD22      ASN  33   6.243   5.525   0.619
  252   2HD2  ASN  33          HD21      ASN  33   6.698   7.227   0.594
  253    H    VAL  34           H        VAL  34   4.376   7.724  -2.780
  254    HA   VAL  34           HA       VAL  34   6.045   5.813  -4.190
  255    HB   VAL  34           HB       VAL  34   5.766   6.705  -6.379
  256   1HG1  VAL  34          HG11      VAL  34   3.609   5.957  -7.012
  257   2HG1  VAL  34          HG12      VAL  34   4.031   4.967  -5.614
  258   3HG1  VAL  34          HG13      VAL  34   2.902   6.324  -5.426
  259   1HG2  VAL  34          HG21      VAL  34   5.240   9.053  -5.886
  260   2HG2  VAL  34          HG22      VAL  34   4.041   8.362  -6.977
  261   3HG2  VAL  34          HG23      VAL  34   3.653   8.582  -5.253
  262    H    ARG  35           H        ARG  35   8.034   6.551  -4.737
  263    HA   ARG  35           HA       ARG  35   8.804   9.346  -4.118
  264   1HB   ARG  35          HB2       ARG  35  10.341   6.781  -3.421
  265   2HB   ARG  35          HB3       ARG  35  11.017   8.393  -3.378
  266   1HG   ARG  35          HG2       ARG  35  10.581   8.348  -1.242
  267   2HG   ARG  35          HG3       ARG  35   8.947   8.831  -1.697
  268   1HD   ARG  35          HD2       ARG  35   8.132   6.566  -1.408
  269   2HD   ARG  35          HD3       ARG  35   9.781   5.914  -1.389
  270    HE   ARG  35           HE       ARG  35   9.241   7.880   0.702
  271   1HH1  ARG  35          HH12      ARG  35   8.985   4.389   0.022
  272   2HH1  ARG  35          HH11      ARG  35   9.560   3.930   1.576
  273   1HH2  ARG  35          HH21      ARG  35   9.802   7.238   2.816
  274   2HH2  ARG  35          HH22      ARG  35   9.938   5.577   3.230
  275    H    SER  36           H        SER  36  10.963   9.743  -5.203
  276    HA   SER  36           HA       SER  36  11.636   7.793  -7.247
  277   1HB   SER  36          HB2       SER  36  12.111   9.593  -8.898
  278   2HB   SER  36          HB3       SER  36  10.394   9.333  -8.583
  279    HG   SER  36           HG       SER  36  10.462  11.170  -7.187
  280    H    ALA  37           H        ALA  37  13.844   8.025  -7.989
  281    HA   ALA  37           HA       ALA  37  15.745   9.490  -6.278
  282   1HB   ALA  37          HB1       ALA  37  15.556   6.442  -6.305
  283   2HB   ALA  37          HB2       ALA  37  16.762   7.433  -5.438
  284   3HB   ALA  37          HB3       ALA  37  15.074   7.475  -4.942
  285    H    GLY  38           H        GLY  38  17.997   8.357  -6.901
  286   1HA   GLY  38          HA2       GLY  38  18.102   7.294  -9.612
  287   2HA   GLY  38          HA3       GLY  38  18.938   8.838  -9.408
  288    H    VAL  39           H        VAL  39  20.087   6.109  -9.943
  289    HA   VAL  39           HA       VAL  39  21.165   5.034  -7.532
  290    HB   VAL  39           HB       VAL  39  22.809   3.910  -9.144
  291   1HG1  VAL  39          HG11      VAL  39  21.086   2.431 -10.061
  292   2HG1  VAL  39          HG12      VAL  39  20.766   2.823  -8.359
  293   3HG1  VAL  39          HG13      VAL  39  19.823   3.610  -9.654
  294   1HG2  VAL  39          HG21      VAL  39  22.277   3.897 -11.519
  295   2HG2  VAL  39          HG22      VAL  39  20.960   5.041 -11.308
  296   3HG2  VAL  39          HG23      VAL  39  22.639   5.559 -11.037
  297    H    PHE  40           H        PHE  40  22.256   7.690  -9.541
  298    HA   PHE  40           HA       PHE  40  24.447   8.228  -7.612
  299   1HB   PHE  40          HB2       PHE  40  24.666   8.261 -10.651
  300   2HB   PHE  40          HB3       PHE  40  25.865   8.937  -9.560
  301    HD1  PHE  40           HD1      PHE  40  24.833   5.909 -11.240
  302    HD2  PHE  40           HD2      PHE  40  26.949   7.411  -7.789
  303    HE1  PHE  40           HE1      PHE  40  26.042   3.760 -11.039
  304    HE2  PHE  40           HE2      PHE  40  28.129   5.239  -7.575
  305    HZ   PHE  40           HZ       PHE  40  27.678   3.410  -9.201
  306    H    ALA  41           H        ALA  41  21.735   9.244  -7.746
  307    HA   ALA  41           HA       ALA  41  21.871  12.026  -8.697
  308   1HB   ALA  41          HB1       ALA  41  19.711  10.863  -8.654
  309   2HB   ALA  41          HB2       ALA  41  19.891  10.535  -6.912
  310   3HB   ALA  41          HB3       ALA  41  19.699  12.200  -7.498
  311    H    SER  42           H        SER  42  21.329  13.680  -6.869
  312    HA   SER  42           HA       SER  42  23.023  13.203  -4.495
  313   1HB   SER  42          HB2       SER  42  23.054  15.690  -6.242
  314   2HB   SER  42          HB3       SER  42  24.007  15.425  -4.770
  315    HG   SER  42           HG       SER  42  25.194  14.995  -6.695
  316    HA   PRO  43           HA       PRO  43  19.494  14.776  -2.321
  317   1HB   PRO  43          HB2       PRO  43  21.525  16.040  -0.487
  318   2HB   PRO  43          HB3       PRO  43  20.035  15.124  -0.073
  319   1HG   PRO  43          HG2       PRO  43  22.364  13.814  -0.007
  320   2HG   PRO  43          HG3       PRO  43  20.989  13.077  -0.923
  321   1HD   PRO  43          HD2       PRO  43  23.263  14.766  -2.041
  322   2HD   PRO  43          HD3       PRO  43  22.728  13.131  -2.525
  323    H    ASN  44           H        ASN  44  21.049  16.858  -4.251
  324    HA   ASN  44           HA       ASN  44  19.548  19.255  -3.395
  325   1HB   ASN  44          HB2       ASN  44  21.411  20.673  -3.485
  326   2HB   ASN  44          HB3       ASN  44  21.937  19.329  -2.484
  327   1HD2  ASN  44          HD22      ASN  44  23.461  21.326  -4.287
  328   2HD2  ASN  44          HD21      ASN  44  24.437  20.307  -5.312
  329    H    GLY  45           H        GLY  45  19.680  17.123  -5.755
  330   1HA   GLY  45          HA2       GLY  45  19.690  18.979  -8.074
  331   2HA   GLY  45          HA3       GLY  45  19.219  17.266  -8.070
  332    H    LYS  46           H        LYS  46  17.507  19.489  -9.062
  333    HA   LYS  46           HA       LYS  46  15.157  18.676  -7.603
  334   1HB   LYS  46          HB2       LYS  46  15.828  20.478  -6.111
  335   2HB   LYS  46          HB3       LYS  46  15.955  21.612  -7.474
  336   1HG   LYS  46          HG2       LYS  46  13.446  21.224  -7.855
  337   2HG   LYS  46          HG3       LYS  46  13.451  20.277  -6.360
  338   1HD   LYS  46          HD2       LYS  46  14.311  22.315  -5.142
  339   2HD   LYS  46          HD3       LYS  46  14.168  23.227  -6.661
  340   1HE   LYS  46          HE2       LYS  46  11.752  22.664  -6.768
  341   2HE   LYS  46          HE3       LYS  46  11.892  21.741  -5.268
  342   1HZ   LYS  46          HZ1       LYS  46  12.331  24.661  -5.507
  343   2HZ   LYS  46          HZ2       LYS  46  10.998  23.924  -4.902
  344   3HZ   LYS  46          HZ3       LYS  46  12.432  23.798  -4.116
  345    H    ALA  47           H        ALA  47  14.079  18.016  -9.289
  346    HA   ALA  47           HA       ALA  47  13.276  17.751 -11.387
  347   1HB   ALA  47          HB1       ALA  47  11.730  19.300 -10.135
  348   2HB   ALA  47          HB2       ALA  47  12.444  20.651 -11.032
  349   3HB   ALA  47          HB3       ALA  47  11.580  19.354 -11.900
  350    H    THR  48           H        THR  48  12.840  19.827 -13.474
  351    HA   THR  48           HA       THR  48  15.493  20.828 -14.126
  352    HB   THR  48           HB       THR  48  15.567  20.061 -16.369
  353    HG1  THR  48           HG1      THR  48  13.962  18.721 -17.234
  354   1HG2  THR  48          HG21      THR  48  14.700  17.612 -14.806
  355   2HG2  THR  48          HG22      THR  48  15.722  17.652 -16.257
  356   3HG2  THR  48          HG23      THR  48  16.329  18.344 -14.745
  357    HA   PRO  49           HA       PRO  49  13.103  24.393 -15.195
  358   1HB   PRO  49          HB2       PRO  49  14.495  24.397 -17.880
  359   2HB   PRO  49          HB3       PRO  49  14.227  25.762 -16.749
  360   1HG   PRO  49          HG2       PRO  49  16.640  24.542 -16.850
  361   2HG   PRO  49          HG3       PRO  49  15.915  24.951 -15.260
  362   1HD   PRO  49          HD2       PRO  49  15.952  22.282 -16.678
  363   2HD   PRO  49          HD3       PRO  49  16.258  22.656 -14.955
  364    H    HIS  50           H        HIS  50  12.944  21.604 -17.334
  365    HA   HIS  50           HA       HIS  50  10.499  22.701 -18.607
  366   1HB   HIS  50          HB2       HIS  50  12.584  20.805 -19.666
  367   2HB   HIS  50          HB3       HIS  50  11.050  21.137 -20.479
  368    HD1  HIS  50           HD1      HIS  50  13.992  21.781 -21.755
  369    HD2  HIS  50           HD2      HIS  50  11.286  24.449 -19.912
  370    HE1  HIS  50           HE1      HIS  50  14.569  24.102 -22.605
  371    H    ALA  51           H        ALA  51  11.859  19.790 -16.993
  372    HA   ALA  51           HA       ALA  51   9.487  18.241 -17.227
  373   1HB   ALA  51          HB1       ALA  51  10.299  17.138 -15.122
  374   2HB   ALA  51          HB2       ALA  51  11.574  17.261 -16.341
  375   3HB   ALA  51          HB3       ALA  51  11.552  18.380 -14.969
  376    H    VAL  52           H        VAL  52  10.564  20.631 -14.809
  377    HA   VAL  52           HA       VAL  52   8.282  20.348 -13.186
  378    HB   VAL  52           HB       VAL  52  10.698  21.361 -12.840
  379   1HG1  VAL  52          HG11      VAL  52  10.473  23.308 -14.309
  380   2HG1  VAL  52          HG12      VAL  52   9.185  23.938 -13.229
  381   3HG1  VAL  52          HG13      VAL  52  10.849  23.733 -12.633
  382   1HG2  VAL  52          HG21      VAL  52   9.951  22.492 -10.785
  383   2HG2  VAL  52          HG22      VAL  52   8.271  22.377 -11.371
  384   3HG2  VAL  52          HG23      VAL  52   9.226  20.904 -11.043
  385    H    GLU  53           H        GLU  53   9.023  22.454 -15.911
  386    HA   GLU  53           HA       GLU  53   6.676  24.028 -15.632
  387   1HB   GLU  53          HB2       GLU  53   8.684  24.798 -16.817
  388   2HB   GLU  53          HB3       GLU  53   8.450  23.567 -18.068
  389   1HG   GLU  53          HG2       GLU  53   6.391  24.632 -18.810
  390   2HG   GLU  53          HG3       GLU  53   6.406  25.731 -17.426
  391    H    ALA  54           H        ALA  54   7.438  21.070 -17.460
  392    HA   ALA  54           HA       ALA  54   5.025  20.923 -18.913
  393   1HB   ALA  54          HB1       ALA  54   6.847  18.666 -17.948
  394   2HB   ALA  54          HB2       ALA  54   5.629  18.533 -19.224
  395   3HB   ALA  54          HB3       ALA  54   7.035  19.575 -19.461
  396    H    LEU  55           H        LEU  55   5.890  19.661 -15.690
  397    HA   LEU  55           HA       LEU  55   3.188  18.529 -15.372
  398   1HB   LEU  55          HB2       LEU  55   5.615  18.770 -13.605
  399   2HB   LEU  55          HB3       LEU  55   4.055  18.306 -12.918
  400    HG   LEU  55           HG       LEU  55   5.537  16.392 -13.356
  401   1HD1  LEU  55          HD11      LEU  55   2.999  16.308 -15.029
  402   2HD1  LEU  55          HD12      LEU  55   3.880  14.933 -14.341
  403   3HD1  LEU  55          HD13      LEU  55   3.111  16.089 -13.257
  404   1HD2  LEU  55          HD21      LEU  55   5.880  15.482 -15.592
  405   2HD2  LEU  55          HD22      LEU  55   5.105  16.895 -16.329
  406   3HD2  LEU  55          HD23      LEU  55   6.643  17.066 -15.451
  407    H    PHE  56           H        PHE  56   4.722  21.629 -14.616
  408    HA   PHE  56           HA       PHE  56   2.542  22.466 -12.919
  409   1HB   PHE  56          HB2       PHE  56   4.738  23.624 -12.948
  410   2HB   PHE  56          HB3       PHE  56   4.417  24.176 -14.595
  411    HD1  PHE  56           HD1      PHE  56   3.410  26.328 -14.841
  412    HD2  PHE  56           HD2      PHE  56   2.789  24.105 -11.193
  413    HE1  PHE  56           HE1      PHE  56   2.061  28.196 -13.921
  414    HE2  PHE  56           HE2      PHE  56   1.401  25.939 -10.304
  415    HZ   PHE  56           HZ       PHE  56   1.046  28.011 -11.656
  416    H    GLU  57           H        GLU  57   3.149  22.629 -16.473
  417    HA   GLU  57           HA       GLU  57   0.696  23.940 -17.104
  418   1HB   GLU  57          HB2       GLU  57   2.649  23.719 -18.622
  419   2HB   GLU  57          HB3       GLU  57   2.343  21.983 -18.753
  420   1HG   GLU  57          HG2       GLU  57   0.091  22.489 -19.737
  421   2HG   GLU  57          HG3       GLU  57   0.447  24.216 -19.614
  422    H    LYS  58           H        LYS  58   1.509  20.427 -16.707
  423    HA   LYS  58           HA       LYS  58  -1.204  19.570 -17.170
  424   1HB   LYS  58          HB2       LYS  58   0.888  18.160 -17.281
  425   2HB   LYS  58          HB3       LYS  58   0.897  18.131 -15.510
  426   1HG   LYS  58          HG2       LYS  58  -1.202  16.950 -15.437
  427   2HG   LYS  58          HG3       LYS  58  -1.518  17.227 -17.148
  428   1HD   LYS  58          HD2       LYS  58   0.879  15.646 -16.169
  429   2HD   LYS  58          HD3       LYS  58  -0.691  14.877 -16.390
  430   1HE   LYS  58          HE2       LYS  58   0.722  16.418 -18.606
  431   2HE   LYS  58          HE3       LYS  58   0.982  14.691 -18.316
  432   1HZ   LYS  58          HZ1       LYS  58  -0.736  15.120 -20.007
  433   2HZ   LYS  58          HZ2       LYS  58  -1.310  14.251 -18.756
  434   3HZ   LYS  58          HZ3       LYS  58  -1.685  15.849 -18.897
  435    H    HIS  59           H        HIS  59   0.075  21.370 -14.611
  436    HA   HIS  59           HA       HIS  59  -0.761  22.222 -12.741
  437   1HB   HIS  59          HB2       HIS  59  -3.458  21.040 -13.457
  438   2HB   HIS  59          HB3       HIS  59  -3.127  22.288 -12.267
  439    HD1  HIS  59           HD1      HIS  59  -4.491  22.195 -15.560
  440    HD2  HIS  59           HD2      HIS  59  -1.504  24.458 -13.640
  441    HE1  HIS  59           HE1      HIS  59  -4.255  24.346 -16.898
  442    H    ILE  60           H        ILE  60   0.768  20.143 -12.482
  443    HA   ILE  60           HA       ILE  60  -0.327  18.650 -10.136
  444    HB   ILE  60           HB       ILE  60   1.721  17.768 -12.189
  445   1HG1  ILE  60          HG12      ILE  60  -1.046  16.637 -11.525
  446   2HG1  ILE  60          HG13      ILE  60  -0.692  17.650 -12.922
  447   1HG2  ILE  60          HG21      ILE  60   1.772  15.608 -10.943
  448   2HG2  ILE  60          HG22      ILE  60   2.328  16.921  -9.930
  449   3HG2  ILE  60          HG23      ILE  60   0.684  16.286  -9.719
  450   1HD1  ILE  60          HD11      ILE  60   0.447  14.868 -12.469
  451   2HD1  ILE  60          HD12      ILE  60  -0.789  15.358 -13.630
  452   3HD1  ILE  60          HD13      ILE  60   0.864  15.971 -13.801
  453    H    ALA  61           H        ALA  61   2.168  20.775 -11.392
  454    HA   ALA  61           HA       ALA  61   3.879  21.887 -10.459
  455   1HB   ALA  61          HB1       ALA  61   3.533  22.863  -8.265
  456   2HB   ALA  61          HB2       ALA  61   2.025  22.894  -9.201
  457   3HB   ALA  61          HB3       ALA  61   2.244  21.697  -7.907
  458    H    LEU  62           H        LEU  62   5.118  19.978 -10.978
  459    HA   LEU  62           HA       LEU  62   6.139  18.078  -9.088
  460   1HB   LEU  62          HB2       LEU  62   6.270  18.170 -11.645
  461   2HB   LEU  62          HB3       LEU  62   7.498  19.411 -11.480
  462    HG   LEU  62           HG       LEU  62   7.625  16.458 -10.747
  463   1HD1  LEU  62          HD11      LEU  62   7.880  17.101 -13.151
  464   2HD1  LEU  62          HD12      LEU  62   9.265  18.119 -12.709
  465   3HD1  LEU  62          HD13      LEU  62   9.336  16.359 -12.479
  466   1HD2  LEU  62          HD21      LEU  62  10.153  17.036 -10.349
  467   2HD2  LEU  62          HD22      LEU  62   9.556  18.668 -10.025
  468   3HD2  LEU  62          HD23      LEU  62   8.971  17.268  -9.063
  469    H    ASN  63           H        ASN  63   7.734  18.470  -7.448
  470    HA   ASN  63           HA       ASN  63   9.510  20.770  -7.749
  471   1HB   ASN  63          HB2       ASN  63   7.134  21.166  -6.268
  472   2HB   ASN  63          HB3       ASN  63   8.347  20.897  -5.030
  473   1HD2  ASN  63          HD22      ASN  63   8.090  22.567  -8.225
  474   2HD2  ASN  63          HD21      ASN  63   8.852  24.063  -7.714
  475    H    HIS  64           H        HIS  64   9.706  17.837  -7.604
  476    HA   HIS  64           HA       HIS  64  10.607  16.842  -5.131
  477   1HB   HIS  64          HB2       HIS  64   9.833  15.483  -7.053
  478   2HB   HIS  64          HB3       HIS  64  11.233  16.018  -7.996
  479    HD1  HIS  64           HD1      HIS  64  10.238  13.250  -5.647
  480    HD2  HIS  64           HD2      HIS  64  13.683  15.031  -7.267
  481    HE1  HIS  64           HE1      HIS  64  12.148  11.755  -5.040
  482    H    VAL  65           H        VAL  65  12.454  17.264  -4.028
  483    HA   VAL  65           HA       VAL  65  14.929  18.184  -5.404
  484    HB   VAL  65           HB       VAL  65  14.211  17.829  -2.469
  485   1HG1  VAL  65          HG11      VAL  65  16.624  17.380  -2.817
  486   2HG1  VAL  65          HG12      VAL  65  16.787  18.925  -3.677
  487   3HG1  VAL  65          HG13      VAL  65  16.369  18.897  -1.952
  488   1HG2  VAL  65          HG21      VAL  65  14.360  20.255  -2.308
  489   2HG2  VAL  65          HG22      VAL  65  14.789  20.373  -4.021
  490   3HG2  VAL  65          HG23      VAL  65  13.164  19.831  -3.541
  491    H    SER  66           H        SER  66  16.310  16.652  -6.033
  492    HA   SER  66           HA       SER  66  15.796  13.887  -6.000
  493   1HB   SER  66          HB2       SER  66  18.407  15.353  -6.484
  494   2HB   SER  66          HB3       SER  66  17.929  13.775  -7.140
  495    HG   SER  66           HG       SER  66  16.331  14.799  -8.341
  496    H    SER  67           H        SER  67  17.259  12.179  -5.196
  497    HA   SER  67           HA       SER  67  19.197  12.647  -3.122
  498   1HB   SER  67          HB2       SER  67  16.514  11.341  -2.458
  499   2HB   SER  67          HB3       SER  67  17.976  11.104  -1.487
  500    HG   SER  67           HG       SER  67  17.204  13.716  -2.130
  501    HA   PRO  68           HA       PRO  68  20.384   8.879  -5.180
  502   1HB   PRO  68          HB2       PRO  68  22.089   7.670  -3.422
  503   2HB   PRO  68          HB3       PRO  68  22.493   9.194  -4.260
  504   1HG   PRO  68          HG2       PRO  68  21.350   8.858  -1.466
  505   2HG   PRO  68          HG3       PRO  68  22.754   9.855  -1.972
  506   1HD   PRO  68          HD2       PRO  68  20.271  10.921  -1.650
  507   2HD   PRO  68          HD3       PRO  68  21.353  11.476  -2.967
  508    H    LEU  69           H        LEU  69  19.621   6.772  -5.394
  509    HA   LEU  69           HA       LEU  69  17.728   5.701  -3.423
  510   1HB   LEU  69          HB2       LEU  69  17.443   5.172  -5.824
  511   2HB   LEU  69          HB3       LEU  69  19.040   4.438  -5.881
  512    HG   LEU  69           HG       LEU  69  18.360   2.615  -4.490
  513   1HD1  LEU  69          HD11      LEU  69  15.732   4.088  -4.070
  514   2HD1  LEU  69          HD12      LEU  69  15.967   2.370  -3.685
  515   3HD1  LEU  69          HD13      LEU  69  16.889   3.584  -2.816
  516   1HD2  LEU  69          HD21      LEU  69  16.643   1.565  -5.856
  517   2HD2  LEU  69          HD22      LEU  69  16.111   3.147  -6.464
  518   3HD2  LEU  69          HD23      LEU  69  17.724   2.524  -6.876
  519    H    THR  70           H        THR  70  18.354   4.802  -1.580
  520    HA   THR  70           HA       THR  70  20.985   3.516  -1.339
  521    HB   THR  70           HB       THR  70  20.939   4.807   0.991
  522    HG1  THR  70           HG1      THR  70  19.648   6.643  -0.768
  523   1HG2  THR  70          HG21      THR  70  22.750   4.865  -0.654
  524   2HG2  THR  70          HG22      THR  70  21.869   6.063  -1.623
  525   3HG2  THR  70          HG23      THR  70  22.450   6.484   0.008
  526    H    GLU  71           H        GLU  71  21.087   2.357   0.869
  527    HA   GLU  71           HA       GLU  71  19.279   0.353   0.181
  528   1HB   GLU  71          HB2       GLU  71  21.646   0.133   1.048
  529   2HB   GLU  71          HB3       GLU  71  21.022   0.418   2.678
  530   1HG   GLU  71          HG2       GLU  71  19.584  -1.603   2.465
  531   2HG   GLU  71          HG3       GLU  71  20.144  -1.834   0.806
  532    H    GLU  72           H        GLU  72  19.168   2.600   2.915
  533    HA   GLU  72           HA       GLU  72  17.113   1.229   4.322
  534   1HB   GLU  72          HB2       GLU  72  16.789   3.360   5.526
  535   2HB   GLU  72          HB3       GLU  72  18.481   2.869   5.437
  536   1HG   GLU  72          HG2       GLU  72  18.833   4.503   3.565
  537   2HG   GLU  72          HG3       GLU  72  17.157   5.028   3.736
  538    H    LEU  73           H        LEU  73  16.986   3.590   1.674
  539    HA   LEU  73           HA       LEU  73  14.134   3.929   1.827
  540   1HB   LEU  73          HB2       LEU  73  15.672   5.606   0.797
  541   2HB   LEU  73          HB3       LEU  73  16.081   4.428  -0.457
  542    HG   LEU  73           HG       LEU  73  13.731   4.423  -1.212
  543   1HD1  LEU  73          HD11      LEU  73  12.182   6.211  -0.526
  544   2HD1  LEU  73          HD12      LEU  73  12.505   5.066   0.773
  545   3HD1  LEU  73          HD13      LEU  73  13.296   6.664   0.787
  546   1HD2  LEU  73          HD21      LEU  73  15.407   5.888  -2.278
  547   2HD2  LEU  73          HD22      LEU  73  13.800   6.622  -2.314
  548   3HD2  LEU  73          HD23      LEU  73  15.010   7.185  -1.136
  549    H    MET  74           H        MET  74  16.392   1.902   0.007
  550    HA   MET  74           HA       MET  74  14.549   0.533  -1.636
  551   1HB   MET  74          HB2       MET  74  16.682   0.229  -2.337
  552   2HB   MET  74          HB3       MET  74  17.348   0.174  -0.721
  553   1HG   MET  74          HG2       MET  74  17.698  -1.942  -1.787
  554   2HG   MET  74          HG3       MET  74  16.636  -2.111  -0.405
  555   1HE   MET  74          HE1       MET  74  16.167  -1.162  -4.260
  556   2HE   MET  74          HE2       MET  74  17.064  -2.703  -4.259
  557   3HE   MET  74          HE3       MET  74  15.394  -2.653  -4.847
  558    H    GLU  75           H        GLU  75  15.702  -0.204   1.664
  559    HA   GLU  75           HA       GLU  75  14.169  -2.620   1.955
  560   1HB   GLU  75          HB2       GLU  75  15.480  -0.712   3.930
  561   2HB   GLU  75          HB3       GLU  75  14.544  -2.114   4.459
  562   1HG   GLU  75          HG2       GLU  75  15.987  -3.619   3.151
  563   2HG   GLU  75          HG3       GLU  75  16.994  -2.267   2.652
  564    H    SER  76           H        SER  76  13.479   0.821   2.642
  565    HA   SER  76           HA       SER  76  11.043   0.340   4.063
  566   1HB   SER  76          HB2       SER  76  11.940   2.800   2.505
  567   2HB   SER  76          HB3       SER  76  10.627   2.729   3.695
  568    HG   SER  76           HG       SER  76  13.408   2.314   4.116
  569    H    ALA  77           H        ALA  77  11.731   0.777   0.546
  570    HA   ALA  77           HA       ALA  77   8.875   0.945  -0.026
  571   1HB   ALA  77          HB1       ALA  77  10.486   2.270  -1.284
  572   2HB   ALA  77          HB2       ALA  77  11.210   0.771  -1.946
  573   3HB   ALA  77          HB3       ALA  77   9.528   1.225  -2.331
  574    H    ASP  78           H        ASP  78   7.935  -0.410  -1.838
  575    HA   ASP  78           HA       ASP  78   8.377  -3.279  -1.220
  576   1HB   ASP  78          HB2       ASP  78   6.165  -2.153  -0.692
  577   2HB   ASP  78          HB3       ASP  78   5.936  -1.918  -2.421
  578    H    LEU  79           H        LEU  79   8.179  -0.871  -3.803
  579    HA   LEU  79           HA       LEU  79   8.785  -2.877  -5.914
  580   1HB   LEU  79          HB2       LEU  79   6.323  -2.033  -5.511
  581   2HB   LEU  79          HB3       LEU  79   6.890  -0.492  -6.070
  582    HG   LEU  79           HG       LEU  79   5.718  -1.511  -7.823
  583   1HD1  LEU  79          HD11      LEU  79   7.880  -0.405  -8.486
  584   2HD1  LEU  79          HD12      LEU  79   8.553  -2.043  -8.688
  585   3HD1  LEU  79          HD13      LEU  79   7.155  -1.524  -9.647
  586   1HD2  LEU  79          HD21      LEU  79   5.687  -3.836  -7.199
  587   2HD2  LEU  79          HD22      LEU  79   6.327  -3.698  -8.827
  588   3HD2  LEU  79          HD23      LEU  79   7.439  -3.988  -7.474
  589    H    VAL  80           H        VAL  80  10.416  -2.170  -7.277
  590    HA   VAL  80           HA       VAL  80  11.065   0.730  -7.271
  591    HB   VAL  80           HB       VAL  80  13.036  -1.585  -7.283
  592   1HG1  VAL  80          HG11      VAL  80  13.814   0.304  -8.690
  593   2HG1  VAL  80          HG12      VAL  80  13.519   1.431  -7.351
  594   3HG1  VAL  80          HG13      VAL  80  14.773   0.180  -7.211
  595   1HG2  VAL  80          HG21      VAL  80  13.834  -0.561  -5.128
  596   2HG2  VAL  80          HG22      VAL  80  12.437   0.538  -5.182
  597   3HG2  VAL  80          HG23      VAL  80  12.194  -1.203  -5.013
  598    H    LEU  81           H        LEU  81  11.164   1.581  -9.285
  599    HA   LEU  81           HA       LEU  81  10.688  -0.263 -11.543
  600   1HB   LEU  81          HB2       LEU  81   8.756   1.176 -10.241
  601   2HB   LEU  81          HB3       LEU  81   9.214   2.312 -11.508
  602    HG   LEU  81           HG       LEU  81   8.419  -0.617 -12.036
  603   1HD1  LEU  81          HD11      LEU  81   6.811   1.955 -12.126
  604   2HD1  LEU  81          HD12      LEU  81   6.261   0.385 -12.769
  605   3HD1  LEU  81          HD13      LEU  81   6.538   0.591 -11.031
  606   1HD2  LEU  81          HD21      LEU  81   8.101   0.207 -14.320
  607   2HD2  LEU  81          HD22      LEU  81   8.795   1.780 -13.838
  608   3HD2  LEU  81          HD23      LEU  81   9.789   0.304 -13.793
  609    H    ALA  82           H        ALA  82  12.519  -0.098 -12.637
  610    HA   ALA  82           HA       ALA  82  14.136   2.351 -12.489
  611   1HB   ALA  82          HB1       ALA  82  15.147   0.198 -11.765
  612   2HB   ALA  82          HB2       ALA  82  14.817  -0.497 -13.370
  613   3HB   ALA  82          HB3       ALA  82  15.966   0.843 -13.196
  614    H    MET  83           H        MET  83  14.520   3.568 -14.243
  615    HA   MET  83           HA       MET  83  12.911   3.337 -16.536
  616   1HB   MET  83          HB2       MET  83  15.508   4.869 -16.249
  617   2HB   MET  83          HB3       MET  83  14.323   5.093 -17.531
  618   1HG   MET  83          HG2       MET  83  14.050   5.745 -14.603
  619   2HG   MET  83          HG3       MET  83  14.012   6.834 -15.974
  620   1HE   MET  83          HE1       MET  83  10.495   5.624 -13.667
  621   2HE   MET  83          HE2       MET  83  11.960   4.622 -13.531
  622   3HE   MET  83          HE3       MET  83  12.053   6.380 -13.250
  623    H    THR  84           H        THR  84  16.124   1.785 -16.033
  624    HA   THR  84           HA       THR  84  15.771   0.538 -18.671
  625    HB   THR  84           HB       THR  84  18.038   0.930 -19.356
  626    HG1  THR  84           HG1      THR  84  19.312   2.413 -18.012
  627   1HG2  THR  84          HG21      THR  84  16.465   2.784 -19.917
  628   2HG2  THR  84          HG22      THR  84  16.998   3.650 -18.458
  629   3HG2  THR  84          HG23      THR  84  18.148   3.307 -19.764
  630    H    HIS  85           H        HIS  85  17.124  -1.389 -18.928
  631    HA   HIS  85           HA       HIS  85  17.212  -3.029 -16.595
  632   1HB   HIS  85          HB2       HIS  85  18.351  -4.652 -18.076
  633   2HB   HIS  85          HB3       HIS  85  16.850  -4.029 -18.750
  634    HD1  HIS  85           HD1      HIS  85  20.674  -3.745 -19.317
  635    HD2  HIS  85           HD2      HIS  85  16.976  -2.813 -21.107
  636    HE1  HIS  85           HE1      HIS  85  21.199  -2.949 -21.673
  637    H    GLN  86           H        GLN  86  19.581  -0.979 -18.241
  638    HA   GLN  86           HA       GLN  86  21.876  -1.823 -16.804
  639   1HB   GLN  86          HB2       GLN  86  22.016  -0.415 -18.809
  640   2HB   GLN  86          HB3       GLN  86  21.175   0.903 -17.980
  641   1HG   GLN  86          HG2       GLN  86  23.052   1.179 -16.419
  642   2HG   GLN  86          HG3       GLN  86  23.848  -0.249 -17.087
  643   1HE2  GLN  86          HE22      GLN  86  25.755   0.885 -17.729
  644   2HE2  GLN  86          HE21      GLN  86  25.753   2.049 -19.027
  645    H    HIS  87           H        HIS  87  19.449   0.726 -16.076
  646    HA   HIS  87           HA       HIS  87  20.621   1.437 -13.591
  647   1HB   HIS  87          HB2       HIS  87  17.725   1.671 -14.464
  648   2HB   HIS  87          HB3       HIS  87  18.455   2.494 -13.083
  649    HD1  HIS  87           HD1      HIS  87  17.192   4.144 -15.539
  650    HD2  HIS  87           HD2      HIS  87  21.223   3.037 -15.149
  651    HE1  HIS  87           HE1      HIS  87  18.526   5.744 -16.999
  652    H    LYS  88           H        LYS  88  18.199  -1.070 -14.393
  653    HA   LYS  88           HA       LYS  88  17.772  -1.947 -11.722
  654   1HB   LYS  88          HB2       LYS  88  16.384  -2.780 -13.576
  655   2HB   LYS  88          HB3       LYS  88  17.781  -3.608 -14.281
  656   1HG   LYS  88          HG2       LYS  88  17.991  -4.995 -12.203
  657   2HG   LYS  88          HG3       LYS  88  16.548  -4.230 -11.566
  658   1HD   LYS  88          HD2       LYS  88  16.806  -6.015 -14.022
  659   2HD   LYS  88          HD3       LYS  88  16.116  -6.442 -12.455
  660   1HE   LYS  88          HE2       LYS  88  14.451  -4.413 -13.002
  661   2HE   LYS  88          HE3       LYS  88  14.937  -4.771 -14.664
  662   1HZ   LYS  88          HZ1       LYS  88  13.507  -6.504 -12.749
  663   2HZ   LYS  88          HZ2       LYS  88  13.103  -6.136 -14.309
  664   3HZ   LYS  88          HZ3       LYS  88  14.307  -7.175 -14.028
  665    H    GLN  89           H        GLN  89  20.309  -2.885 -14.044
  666    HA   GLN  89           HA       GLN  89  21.426  -4.797 -12.252
  667   1HB   GLN  89          HB2       GLN  89  21.719  -4.696 -14.786
  668   2HB   GLN  89          HB3       GLN  89  22.861  -3.373 -14.540
  669   1HG   GLN  89          HG2       GLN  89  23.600  -5.588 -12.793
  670   2HG   GLN  89          HG3       GLN  89  23.276  -6.230 -14.389
  671   1HE2  GLN  89          HE22      GLN  89  25.640  -4.541 -12.443
  672   2HE2  GLN  89          HE21      GLN  89  26.734  -4.167 -13.744
  673    H    ILE  90           H        ILE  90  22.044  -1.308 -12.715
  674    HA   ILE  90           HA       ILE  90  24.336  -1.251 -11.012
  675    HB   ILE  90           HB       ILE  90  22.339   0.932 -11.704
  676   1HG1  ILE  90          HG12      ILE  90  25.233   0.603 -12.636
  677   2HG1  ILE  90          HG13      ILE  90  23.888  -0.069 -13.535
  678   1HG2  ILE  90          HG21      ILE  90  23.423   1.489  -9.541
  679   2HG2  ILE  90          HG22      ILE  90  25.018   1.165 -10.241
  680   3HG2  ILE  90          HG23      ILE  90  24.042   2.532 -10.805
  681   1HD1  ILE  90          HD11      ILE  90  24.451   2.042 -14.526
  682   2HD1  ILE  90          HD12      ILE  90  22.879   2.219 -13.717
  683   3HD1  ILE  90          HD13      ILE  90  24.349   2.885 -12.975
  684    H    ILE  91           H        ILE  91  20.841  -0.869 -10.348
  685    HA   ILE  91           HA       ILE  91  21.038  -0.400  -7.570
  686    HB   ILE  91           HB       ILE  91  18.880  -1.769  -9.213
  687   1HG1  ILE  91          HG12      ILE  91  18.910   1.017  -7.985
  688   2HG1  ILE  91          HG13      ILE  91  19.532   0.717  -9.586
  689   1HG2  ILE  91          HG21      ILE  91  17.325  -1.371  -7.338
  690   2HG2  ILE  91          HG22      ILE  91  18.609  -2.469  -6.848
  691   3HG2  ILE  91          HG23      ILE  91  18.665  -0.759  -6.353
  692   1HD1  ILE  91          HD11      ILE  91  17.319   1.489  -9.856
  693   2HD1  ILE  91          HD12      ILE  91  17.322  -0.227 -10.281
  694   3HD1  ILE  91          HD13      ILE  91  16.664   0.295  -8.714
  695    H    ALA  92           H        ALA  92  20.851  -3.467  -9.366
  696    HA   ALA  92           HA       ALA  92  21.017  -5.198  -7.140
  697   1HB   ALA  92          HB1       ALA  92  20.395  -5.866  -9.480
  698   2HB   ALA  92          HB2       ALA  92  22.087  -5.663  -9.968
  699   3HB   ALA  92          HB3       ALA  92  21.664  -6.910  -8.794
  700    H    SER  93           H        SER  93  23.570  -3.655  -9.070
  701    HA   SER  93           HA       SER  93  25.731  -5.095  -7.874
  702   1HB   SER  93          HB2       SER  93  25.804  -2.398  -9.283
  703   2HB   SER  93          HB3       SER  93  27.169  -3.496  -9.018
  704    HG   SER  93           HG       SER  93  24.827  -3.986 -10.569
  705    H    GLN  94           H        GLN  94  24.105  -2.039  -6.977
  706    HA   GLN  94           HA       GLN  94  26.174  -1.471  -4.986
  707   1HB   GLN  94          HB2       GLN  94  24.866   0.460  -4.360
  708   2HB   GLN  94          HB3       GLN  94  25.214   0.407  -6.087
  709   1HG   GLN  94          HG2       GLN  94  22.920  -0.217  -6.577
  710   2HG   GLN  94          HG3       GLN  94  22.538  -0.378  -4.866
  711   1HE2  GLN  94          HE21      GLN  94  21.372   1.332  -4.130
  712   2HE2  GLN  94          HE22      GLN  94  21.578   3.003  -4.602
  713    H    PHE  95           H        PHE  95  22.929  -2.940  -4.970
  714    HA   PHE  95           HA       PHE  95  23.007  -3.029  -2.007
  715   1HB   PHE  95          HB2       PHE  95  20.834  -3.619  -4.021
  716   2HB   PHE  95          HB3       PHE  95  20.625  -3.703  -2.275
  717    HD1  PHE  95           HD1      PHE  95  19.136  -2.039  -4.394
  718    HD2  PHE  95           HD2      PHE  95  22.266  -1.054  -1.586
  719    HE1  PHE  95           HE1      PHE  95  18.250   0.266  -4.189
  720    HE2  PHE  95           HE2      PHE  95  21.424   1.217  -1.437
  721    HZ   PHE  95           HZ       PHE  95  19.351   1.883  -2.657
  722    H    GLY  96           H        GLY  96  24.141  -5.179  -4.319
  723   1HA   GLY  96          HA2       GLY  96  24.959  -7.311  -3.901
  724   2HA   GLY  96          HA3       GLY  96  24.231  -7.287  -2.288
  725    H    ARG  97           H        ARG  97  23.007  -6.981  -5.614
  726    HA   ARG  97           HA       ARG  97  21.255  -7.762  -6.708
  727   1HB   ARG  97          HB2       ARG  97  22.938  -9.703  -6.625
  728   2HB   ARG  97          HB3       ARG  97  21.783 -10.508  -5.558
  729   1HG   ARG  97          HG2       ARG  97  20.024 -10.243  -7.349
  730   2HG   ARG  97          HG3       ARG  97  21.220  -9.472  -8.391
  731   1HD   ARG  97          HD2       ARG  97  21.367 -12.314  -7.312
  732   2HD   ARG  97          HD3       ARG  97  20.828 -11.848  -8.937
  733    HE   ARG  97           HE       ARG  97  23.349 -10.721  -8.682
  734   1HH1  ARG  97          HH11      ARG  97  22.032 -14.015  -8.573
  735   2HH1  ARG  97          HH12      ARG  97  23.477 -14.767  -9.136
  736   1HH2  ARG  97          HH21      ARG  97  25.286 -11.722  -9.423
  737   2HH2  ARG  97          HH22      ARG  97  25.364 -13.429  -9.634
  738    H    TYR  98           H        TYR  98  20.343  -6.416  -4.566
  739    HA   TYR  98           HA       TYR  98  17.973  -7.827  -3.584
  740   1HB   TYR  98          HB2       TYR  98  19.275  -5.757  -2.580
  741   2HB   TYR  98          HB3       TYR  98  18.233  -4.822  -3.638
  742    HD1  TYR  98           HD1      TYR  98  18.413  -4.508  -0.700
  743    HD2  TYR  98           HD2      TYR  98  15.813  -7.065  -3.023
  744    HE1  TYR  98           HE1      TYR  98  16.719  -4.411   1.085
  745    HE2  TYR  98           HE2      TYR  98  14.136  -6.991  -1.231
  746    HH   TYR  98           HH       TYR  98  14.600  -5.136   1.802
  747    H    ARG  99           H        ARG  99  18.601  -7.823  -6.497
  748    HA   ARG  99           HA       ARG  99  17.127  -6.037  -8.061
  749   1HB   ARG  99          HB2       ARG  99  19.010  -7.539  -8.702
  750   2HB   ARG  99          HB3       ARG  99  17.957  -8.942  -8.540
  751   1HG   ARG  99          HG2       ARG  99  16.653  -8.308 -10.443
  752   2HG   ARG  99          HG3       ARG  99  17.381  -6.684 -10.486
  753   1HD   ARG  99          HD2       ARG  99  19.505  -7.528 -11.146
  754   2HD   ARG  99          HD3       ARG  99  19.050  -9.210 -10.801
  755    HE   ARG  99           HE       ARG  99  17.289  -8.792 -12.671
  756   1HH1  ARG  99          HH21      ARG  99  20.698  -7.801 -12.701
  757   2HH1  ARG  99          HH22      ARG  99  20.832  -7.824 -14.421
  758   1HH2  ARG  99          HH11      ARG  99  17.483  -8.844 -14.963
  759   2HH2  ARG  99          HH12      ARG  99  18.965  -8.426 -15.723
  760    H    ASP 100           H        ASP 100  15.946  -8.725  -6.155
  761    HA   ASP 100           HA       ASP 100  13.946  -9.776  -7.719
  762   1HB   ASP 100          HB2       ASP 100  14.676 -10.738  -5.601
  763   2HB   ASP 100          HB3       ASP 100  13.983  -9.381  -4.708
  764    H    LYS 101           H        LYS 101  13.685  -6.783  -5.730
  765    HA   LYS 101           HA       LYS 101  10.832  -6.627  -6.416
  766   1HB   LYS 101          HB2       LYS 101  10.584  -4.952  -4.843
  767   2HB   LYS 101          HB3       LYS 101  11.607  -6.170  -4.097
  768   1HG   LYS 101          HG2       LYS 101  13.596  -4.713  -4.447
  769   2HG   LYS 101          HG3       LYS 101  12.600  -3.546  -5.320
  770   1HD   LYS 101          HD2       LYS 101  12.808  -2.647  -3.149
  771   2HD   LYS 101          HD3       LYS 101  11.173  -3.293  -3.222
  772   1HE   LYS 101          HE2       LYS 101  11.917  -5.343  -2.030
  773   2HE   LYS 101          HE3       LYS 101  13.587  -4.743  -2.055
  774   1HZ   LYS 101          HZ1       LYS 101  11.359  -3.405  -0.612
  775   2HZ   LYS 101          HZ2       LYS 101  12.543  -4.335   0.072
  776   3HZ   LYS 101          HZ3       LYS 101  12.895  -2.904  -0.655
  777    H    VAL 102           H        VAL 102  13.425  -5.921  -8.248
  778    HA   VAL 102           HA       VAL 102  12.557  -3.212  -8.977
  779    HB   VAL 102           HB       VAL 102  15.019  -4.674  -9.970
  780   1HG1  VAL 102          HG11      VAL 102  14.365  -2.707 -11.308
  781   2HG1  VAL 102          HG12      VAL 102  14.228  -1.722  -9.843
  782   3HG1  VAL 102          HG13      VAL 102  15.811  -2.313 -10.370
  783   1HG2  VAL 102          HG21      VAL 102  16.383  -3.489  -8.370
  784   2HG2  VAL 102          HG22      VAL 102  14.957  -2.757  -7.605
  785   3HG2  VAL 102          HG23      VAL 102  15.237  -4.508  -7.498
  786    H    PHE 103           H        PHE 103  11.558  -2.833 -10.908
  787    HA   PHE 103           HA       PHE 103  11.432  -4.957 -12.975
  788   1HB   PHE 103          HB2       PHE 103   9.238  -3.067 -12.039
  789   2HB   PHE 103          HB3       PHE 103   9.157  -4.091 -13.466
  790    HD1  PHE 103           HD1      PHE 103   8.629  -6.443 -13.317
  791    HD2  PHE 103           HD2      PHE 103   9.299  -4.132  -9.732
  792    HE1  PHE 103           HE1      PHE 103   7.733  -8.305 -11.945
  793    HE2  PHE 103           HE2      PHE 103   8.421  -6.009  -8.366
  794    HZ   PHE 103           HZ       PHE 103   7.632  -8.093  -9.466
  795    H    THR 104           H        THR 104  11.650  -4.129 -15.074
  796    HA   THR 104           HA       THR 104  12.832  -1.451 -15.256
  797    HB   THR 104           HB       THR 104  12.232  -3.078 -17.710
  798    HG1  THR 104           HG1      THR 104  13.058  -4.655 -16.247
  799   1HG2  THR 104          HG21      THR 104  14.515  -2.302 -18.305
  800   2HG2  THR 104          HG22      THR 104  13.438  -0.947 -17.914
  801   3HG2  THR 104          HG23      THR 104  14.619  -1.512 -16.710
  802    H    LEU 105           H        LEU 105  11.946   0.211 -16.604
  803    HA   LEU 105           HA       LEU 105   9.364   0.778 -16.001
  804   1HB   LEU 105          HB2       LEU 105  11.085   2.382 -16.597
  805   2HB   LEU 105          HB3       LEU 105  10.956   1.920 -18.304
  806    HG   LEU 105           HG       LEU 105   8.554   2.647 -18.228
  807   1HD1  LEU 105          HD11      LEU 105   9.307   3.608 -15.426
  808   2HD1  LEU 105          HD12      LEU 105   7.902   4.216 -16.321
  809   3HD1  LEU 105          HD13      LEU 105   7.970   2.517 -15.873
  810   1HD2  LEU 105          HD21      LEU 105   9.096   5.096 -18.193
  811   2HD2  LEU 105          HD22      LEU 105  10.704   4.657 -17.582
  812   3HD2  LEU 105          HD23      LEU 105  10.203   4.088 -19.157
  813    H    LYS 106           H        LYS 106  10.356  -0.229 -19.357
  814    HA   LYS 106           HA       LYS 106   7.526  -0.595 -20.024
  815   1HB   LYS 106          HB2       LYS 106  10.064  -1.370 -21.498
  816   2HB   LYS 106          HB3       LYS 106   8.458  -1.641 -22.139
  817   1HG   LYS 106          HG2       LYS 106   9.422   1.143 -21.356
  818   2HG   LYS 106          HG3       LYS 106   9.661   0.453 -22.965
  819   1HD   LYS 106          HD2       LYS 106   7.272   0.256 -23.340
  820   2HD   LYS 106          HD3       LYS 106   6.923   0.709 -21.677
  821   1HE   LYS 106          HE2       LYS 106   6.444   2.592 -23.054
  822   2HE   LYS 106          HE3       LYS 106   7.851   2.976 -22.065
  823   1HZ   LYS 106          HZ1       LYS 106   9.248   2.735 -23.977
  824   2HZ   LYS 106          HZ2       LYS 106   8.022   2.111 -24.896
  825   3HZ   LYS 106          HZ3       LYS 106   7.982   3.675 -24.415
  826    H    GLU 107           H        GLU 107   9.997  -2.654 -18.579
  827    HA   GLU 107           HA       GLU 107   8.908  -5.173 -19.340
  828   1HB   GLU 107          HB2       GLU 107  11.148  -4.921 -18.379
  829   2HB   GLU 107          HB3       GLU 107  10.437  -4.335 -16.870
  830   1HG   GLU 107          HG2       GLU 107   9.358  -6.582 -16.558
  831   2HG   GLU 107          HG3       GLU 107  10.217  -7.139 -18.004
  832    H    TYR 108           H        TYR 108   8.226  -3.037 -16.550
  833    HA   TYR 108           HA       TYR 108   6.490  -4.737 -15.150
  834   1HB   TYR 108          HB2       TYR 108   7.547  -2.608 -14.349
  835   2HB   TYR 108          HB3       TYR 108   6.433  -1.696 -15.348
  836    HD1  TYR 108           HD1      TYR 108   4.136  -1.329 -14.632
  837    HD2  TYR 108           HD2      TYR 108   6.716  -3.951 -12.394
  838    HE1  TYR 108           HE1      TYR 108   2.446  -1.446 -12.817
  839    HE2  TYR 108           HE2      TYR 108   5.057  -4.027 -10.570
  840    HH   TYR 108           HH       TYR 108   2.957  -3.332  -9.833
  841    H    VAL 109           H        VAL 109   5.897  -3.079 -18.138
  842    HA   VAL 109           HA       VAL 109   2.934  -3.364 -17.809
  843    HB   VAL 109           HB       VAL 109   4.485  -1.321 -19.448
  844   1HG1  VAL 109          HG11      VAL 109   1.581  -1.457 -18.538
  845   2HG1  VAL 109          HG12      VAL 109   2.327  -0.089 -19.396
  846   3HG1  VAL 109          HG13      VAL 109   2.162  -1.654 -20.210
  847   1HG2  VAL 109          HG21      VAL 109   3.827   0.285 -17.656
  848   2HG2  VAL 109          HG22      VAL 109   3.286  -1.083 -16.666
  849   3HG2  VAL 109          HG23      VAL 109   5.008  -0.884 -17.100
  850    H    THR 110           H        THR 110   5.436  -3.214 -20.428
  851    HA   THR 110           HA       THR 110   3.629  -4.477 -22.327
  852    HB   THR 110           HB       THR 110   5.450  -4.207 -23.891
  853    HG1  THR 110           HG1      THR 110   7.042  -3.477 -21.642
  854   1HG2  THR 110          HG21      THR 110   5.402  -1.711 -22.124
  855   2HG2  THR 110          HG22      THR 110   5.806  -1.817 -23.849
  856   3HG2  THR 110          HG23      THR 110   4.154  -2.151 -23.309
  857    H    GLY 111           H        GLY 111   5.918  -5.570 -19.979
  858   1HA   GLY 111          HA2       GLY 111   6.420  -7.757 -19.368
  859   2HA   GLY 111          HA3       GLY 111   5.735  -8.368 -20.878
  860    H    SER 112           H        SER 112   7.870  -5.764 -21.614
  861    HA   SER 112           HA       SER 112  10.218  -7.552 -21.926
  862   1HB   SER 112          HB2       SER 112   9.015  -5.704 -24.032
  863   2HB   SER 112          HB3       SER 112  10.475  -6.692 -24.215
  864    HG   SER 112           HG       SER 112   8.613  -7.673 -25.140
  865    H    HIS 113           H        HIS 113  12.226  -6.484 -21.782
  866    HA   HIS 113           HA       HIS 113  12.332  -4.128 -20.218
  867   1HB   HIS 113          HB2       HIS 113  14.502  -5.355 -21.968
  868   2HB   HIS 113          HB3       HIS 113  14.756  -4.151 -20.710
  869    HD1  HIS 113           HD1      HIS 113  14.233  -5.066 -18.079
  870    HD2  HIS 113           HD2      HIS 113  14.519  -7.875 -21.218
  871    HE1  HIS 113           HE1      HIS 113  14.544  -7.333 -16.991
  872    H    GLY 114           H        GLY 114  12.767  -1.967 -20.724
  873   1HA   GLY 114          HA2       GLY 114  13.626  -0.780 -23.039
  874   2HA   GLY 114          HA3       GLY 114  11.882  -1.001 -23.282
  875    H    ASP 115           H        ASP 115  12.440   1.518 -23.250
  876    HA   ASP 115           HA       ASP 115  11.876   2.600 -20.570
  877   1HB   ASP 115          HB2       ASP 115  14.357   2.626 -21.054
  878   2HB   ASP 115          HB3       ASP 115  14.025   3.635 -22.457
  879    H    VAL 116           H        VAL 116  11.348   4.995 -20.840
  880    HA   VAL 116           HA       VAL 116   9.517   5.513 -23.130
  881    HB   VAL 116           HB       VAL 116   9.963   6.625 -20.335
  882   1HG1  VAL 116          HG11      VAL 116   8.101   8.201 -20.615
  883   2HG1  VAL 116          HG12      VAL 116   9.489   8.637 -21.600
  884   3HG1  VAL 116          HG13      VAL 116   8.073   7.881 -22.349
  885   1HG2  VAL 116          HG21      VAL 116   7.628   5.943 -19.999
  886   2HG2  VAL 116          HG22      VAL 116   7.493   5.467 -21.705
  887   3HG2  VAL 116          HG23      VAL 116   8.559   4.575 -20.611
  888    H    LEU 117           H        LEU 117   9.726   7.902 -23.958
  889    HA   LEU 117           HA       LEU 117  12.207   8.585 -25.066
  890   1HB   LEU 117          HB2       LEU 117   9.797   9.463 -25.467
  891   2HB   LEU 117          HB3       LEU 117  10.079  10.544 -24.113
  892    HG   LEU 117           HG       LEU 117  11.539  10.482 -26.791
  893   1HD1  LEU 117          HD11      LEU 117   9.710  12.572 -25.544
  894   2HD1  LEU 117          HD12      LEU 117  10.456  12.647 -27.155
  895   3HD1  LEU 117          HD13      LEU 117   9.241  11.408 -26.804
  896   1HD2  LEU 117          HD21      LEU 117  12.089  12.286 -24.413
  897   2HD2  LEU 117          HD22      LEU 117  13.230  11.227 -25.292
  898   3HD2  LEU 117          HD23      LEU 117  12.589  12.644 -26.082
  899    H    ASP 118           H        ASP 118  14.064   9.446 -24.116
  900    HA   ASP 118           HA       ASP 118  14.009  10.385 -21.297
  901   1HB   ASP 118          HB2       ASP 118  15.760   8.841 -21.653
  902   2HB   ASP 118          HB3       ASP 118  16.271   9.646 -23.142
  903    HA   PRO 119           HA       PRO 119  13.854  14.317 -23.553
  904   1HB   PRO 119          HB2       PRO 119  12.660  15.901 -21.697
  905   2HB   PRO 119          HB3       PRO 119  11.760  14.621 -22.530
  906   1HG   PRO 119          HG2       PRO 119  13.134  14.456 -19.818
  907   2HG   PRO 119          HG3       PRO 119  11.434  14.043 -20.203
  908   1HD   PRO 119          HD2       PRO 119  13.404  12.151 -20.125
  909   2HD   PRO 119          HD3       PRO 119  12.100  12.081 -21.349
  910    H    PHE 120           H        PHE 120  15.901  13.508 -20.895
  911    HA   PHE 120           HA       PHE 120  16.449  15.995 -19.794
  912   1HB   PHE 120          HB2       PHE 120  17.155  13.827 -18.874
  913   2HB   PHE 120          HB3       PHE 120  18.388  13.691 -20.121
  914    HD1  PHE 120           HD1      PHE 120  17.263  15.836 -17.220
  915    HD2  PHE 120           HD2      PHE 120  20.529  14.723 -19.827
  916    HE1  PHE 120           HE1      PHE 120  18.838  17.089 -15.789
  917    HE2  PHE 120           HE2      PHE 120  22.096  15.997 -18.388
  918    HZ   PHE 120           HZ       PHE 120  21.257  17.180 -16.365
  919    H    GLY 121           H        GLY 121  17.189  17.821 -20.631
  920   1HA   GLY 121          HA2       GLY 121  18.855  19.177 -21.580
  921   2HA   GLY 121          HA3       GLY 121  19.384  17.848 -22.618
  922    H    GLY 122           H        GLY 122  16.069  17.699 -22.891
  923   1HA   GLY 122          HA2       GLY 122  16.082  19.004 -25.499
  924   2HA   GLY 122          HA3       GLY 122  14.813  18.019 -24.768
  925    H    SER 123           H        SER 123  13.890  20.110 -26.075
  926    HA   SER 123           HA       SER 123  13.525  22.477 -24.408
  927   1HB   SER 123          HB2       SER 123  11.931  23.024 -26.320
  928   2HB   SER 123          HB3       SER 123  13.631  22.824 -26.765
  929    HG   SER 123           HG       SER 123  12.281  21.708 -28.201
  930    H    ILE 124           H        ILE 124  11.142  23.087 -24.034
  931    HA   ILE 124           HA       ILE 124   9.848  21.275 -22.352
  932    HB   ILE 124           HB       ILE 124   9.476  23.636 -22.218
  933   1HG1  ILE 124          HG12      ILE 124   7.045  23.831 -22.060
  934   2HG1  ILE 124          HG13      ILE 124   6.820  22.387 -23.042
  935   1HG2  ILE 124          HG21      ILE 124   8.094  23.554 -24.931
  936   2HG2  ILE 124          HG22      ILE 124   8.195  24.949 -23.848
  937   3HG2  ILE 124          HG23      ILE 124   9.663  24.317 -24.580
  938   1HD1  ILE 124          HD11      ILE 124   6.493  21.982 -20.622
  939   2HD1  ILE 124          HD12      ILE 124   7.804  20.993 -21.269
  940   3HD1  ILE 124          HD13      ILE 124   8.181  22.446 -20.312
  941    H    ASP 125           H        ASP 125   9.568  21.632 -25.852
  942    HA   ASP 125           HA       ASP 125   7.234  20.071 -26.210
  943   1HB   ASP 125          HB2       ASP 125   8.212  21.432 -28.006
  944   2HB   ASP 125          HB3       ASP 125   9.640  20.390 -28.037
  945    H    ILE 126           H        ILE 126  10.616  19.094 -25.736
  946    HA   ILE 126           HA       ILE 126  10.125  16.318 -26.451
  947    HB   ILE 126           HB       ILE 126  12.425  17.393 -24.798
  948   1HG1  ILE 126          HG12      ILE 126  12.416  18.722 -26.826
  949   2HG1  ILE 126          HG13      ILE 126  13.737  17.576 -26.876
  950   1HG2  ILE 126          HG21      ILE 126  12.159  14.938 -26.591
  951   2HG2  ILE 126          HG22      ILE 126  13.625  15.433 -25.712
  952   3HG2  ILE 126          HG23      ILE 126  12.170  14.939 -24.832
  953   1HD1  ILE 126          HD11      ILE 126  12.638  17.804 -29.065
  954   2HD1  ILE 126          HD12      ILE 126  12.483  16.147 -28.465
  955   3HD1  ILE 126          HD13      ILE 126  11.098  17.260 -28.382
  956    H    TYR 127           H        TYR 127  10.199  18.219 -23.442
  957    HA   TYR 127           HA       TYR 127   9.743  15.987 -21.707
  958   1HB   TYR 127          HB2       TYR 127   9.434  18.994 -21.436
  959   2HB   TYR 127          HB3       TYR 127   8.925  17.900 -20.160
  960    HD1  TYR 127           HD1      TYR 127  10.468  16.511 -18.971
  961    HD2  TYR 127           HD2      TYR 127  11.905  19.225 -21.954
  962    HE1  TYR 127           HE1      TYR 127  12.771  16.345 -18.002
  963    HE2  TYR 127           HE2      TYR 127  14.188  19.073 -21.033
  964    HH   TYR 127           HH       TYR 127  15.470  18.365 -19.222
  965    H    LYS 128           H        LYS 128   7.603  18.224 -23.423
  966    HA   LYS 128           HA       LYS 128   5.164  17.190 -22.363
  967   1HB   LYS 128          HB2       LYS 128   5.149  19.331 -23.328
  968   2HB   LYS 128          HB3       LYS 128   5.882  18.795 -24.826
  969   1HG   LYS 128          HG2       LYS 128   3.186  17.647 -24.113
  970   2HG   LYS 128          HG3       LYS 128   3.272  19.343 -24.601
  971   1HD   LYS 128          HD2       LYS 128   4.343  18.800 -26.697
  972   2HD   LYS 128          HD3       LYS 128   4.462  17.089 -26.265
  973   1HE   LYS 128          HE2       LYS 128   1.982  16.937 -26.158
  974   2HE   LYS 128          HE3       LYS 128   1.862  18.637 -26.639
  975   1HZ   LYS 128          HZ1       LYS 128   1.609  17.108 -28.516
  976   2HZ   LYS 128          HZ2       LYS 128   2.915  18.059 -28.735
  977   3HZ   LYS 128          HZ3       LYS 128   3.111  16.496 -28.276
  978    H    GLN 129           H        GLN 129   7.071  16.210 -25.240
  979    HA   GLN 129           HA       GLN 129   5.188  14.202 -26.032
  980   1HB   GLN 129          HB2       GLN 129   8.177  14.503 -26.534
  981   2HB   GLN 129          HB3       GLN 129   7.231  13.173 -27.200
  982   1HG   GLN 129          HG2       GLN 129   6.661  16.121 -27.742
  983   2HG   GLN 129          HG3       GLN 129   7.553  15.045 -28.808
  984   1HE2  GLN 129          HE22      GLN 129   6.344  13.143 -29.735
  985   2HE2  GLN 129          HE21      GLN 129   4.618  13.284 -29.950
  986    H    THR 130           H        THR 130   7.944  14.176 -23.806
  987    HA   THR 130           HA       THR 130   7.854  11.413 -23.182
  988    HB   THR 130           HB       THR 130   8.761  13.775 -21.479
  989    HG1  THR 130           HG1      THR 130   9.881  13.683 -23.394
  990   1HG2  THR 130          HG21      THR 130   8.469  11.722 -20.111
  991   2HG2  THR 130          HG22      THR 130   9.476  10.832 -21.272
  992   3HG2  THR 130          HG23      THR 130  10.165  12.146 -20.297
  993    H    ARG 131           H        ARG 131   6.212  14.209 -21.623
  994    HA   ARG 131           HA       ARG 131   5.203  12.609 -19.518
  995   1HB   ARG 131          HB2       ARG 131   4.100  14.449 -18.696
  996   2HB   ARG 131          HB3       ARG 131   5.343  15.222 -19.673
  997   1HG   ARG 131          HG2       ARG 131   3.571  15.344 -21.533
  998   2HG   ARG 131          HG3       ARG 131   2.387  14.832 -20.336
  999   1HD   ARG 131          HD2       ARG 131   2.818  16.868 -19.021
 1000   2HD   ARG 131          HD3       ARG 131   4.124  17.311 -20.137
 1001    HE   ARG 131           HE       ARG 131   1.713  16.894 -21.608
 1002   1HH1  ARG 131          HH11      ARG 131   2.950  19.392 -19.327
 1003   2HH1  ARG 131          HH12      ARG 131   2.524  20.671 -20.452
 1004   1HH2  ARG 131          HH21      ARG 131   0.941  18.763 -22.814
 1005   2HH2  ARG 131          HH22      ARG 131   1.381  20.352 -22.219
 1006    H    ASP 132           H        ASP 132   3.938  13.216 -22.762
 1007    HA   ASP 132           HA       ASP 132   1.348  12.125 -22.259
 1008   1HB   ASP 132          HB2       ASP 132   1.789  13.523 -24.217
 1009   2HB   ASP 132          HB3       ASP 132   2.960  12.352 -24.830
 1010    H    GLU 133           H        GLU 133   4.404  10.652 -23.394
 1011    HA   GLU 133           HA       GLU 133   3.223   8.045 -23.764
 1012   1HB   GLU 133          HB2       GLU 133   5.316   8.699 -24.919
 1013   2HB   GLU 133          HB3       GLU 133   6.131   8.893 -23.357
 1014   1HG   GLU 133          HG2       GLU 133   5.779   6.463 -22.894
 1015   2HG   GLU 133          HG3       GLU 133   4.982   6.288 -24.457
 1016    H    LEU 134           H        LEU 134   5.006   9.654 -21.184
 1017    HA   LEU 134           HA       LEU 134   5.215   7.442 -19.461
 1018   1HB   LEU 134          HB2       LEU 134   6.508   9.659 -19.459
 1019   2HB   LEU 134          HB3       LEU 134   5.102  10.383 -18.685
 1020    HG   LEU 134           HG       LEU 134   5.435   8.815 -16.743
 1021   1HD1  LEU 134          HD11      LEU 134   6.622   6.953 -17.834
 1022   2HD1  LEU 134          HD12      LEU 134   7.964   8.035 -18.258
 1023   3HD1  LEU 134          HD13      LEU 134   7.635   7.636 -16.561
 1024   1HD2  LEU 134          HD21      LEU 134   6.383  11.086 -16.696
 1025   2HD2  LEU 134          HD22      LEU 134   7.532   9.965 -15.952
 1026   3HD2  LEU 134          HD23      LEU 134   7.801  10.552 -17.602
 1027    H    GLU 135           H        GLU 135   2.651   9.942 -19.769
 1028    HA   GLU 135           HA       GLU 135   1.232   9.008 -17.477
 1029   1HB   GLU 135          HB2       GLU 135   0.882  11.266 -18.668
 1030   2HB   GLU 135          HB3       GLU 135  -0.064  10.365 -19.869
 1031   1HG   GLU 135          HG2       GLU 135  -1.364   9.456 -17.756
 1032   2HG   GLU 135          HG3       GLU 135  -0.587  10.783 -16.902
 1033    H    GLU 136           H        GLU 136   1.099   8.103 -20.932
 1034    HA   GLU 136           HA       GLU 136  -1.218   6.473 -20.655
 1035   1HB   GLU 136          HB2       GLU 136  -0.239   7.344 -22.828
 1036   2HB   GLU 136          HB3       GLU 136   1.079   6.186 -22.647
 1037   1HG   GLU 136          HG2       GLU 136  -0.471   5.241 -24.179
 1038   2HG   GLU 136          HG3       GLU 136  -0.627   4.321 -22.692
 1039    H    LEU 137           H        LEU 137   2.252   5.796 -20.370
 1040    HA   LEU 137           HA       LEU 137   2.029   3.016 -19.845
 1041   1HB   LEU 137          HB2       LEU 137   4.135   4.361 -20.447
 1042   2HB   LEU 137          HB3       LEU 137   4.113   4.968 -18.789
 1043    HG   LEU 137           HG       LEU 137   4.031   2.442 -18.099
 1044   1HD1  LEU 137          HD11      LEU 137   5.178   0.935 -19.734
 1045   2HD1  LEU 137          HD12      LEU 137   3.631   1.508 -20.380
 1046   3HD1  LEU 137          HD13      LEU 137   5.139   2.231 -20.945
 1047   1HD2  LEU 137          HD21      LEU 137   5.929   3.947 -17.706
 1048   2HD2  LEU 137          HD22      LEU 137   6.410   2.286 -18.081
 1049   3HD2  LEU 137          HD23      LEU 137   6.563   3.562 -19.324
 1050    H    LEU 138           H        LEU 138   2.076   5.857 -17.685
 1051    HA   LEU 138           HA       LEU 138   2.042   4.267 -15.300
 1052   1HB   LEU 138          HB2       LEU 138   1.866   7.194 -15.907
 1053   2HB   LEU 138          HB3       LEU 138   1.293   6.633 -14.351
 1054    HG   LEU 138           HG       LEU 138   3.347   5.726 -13.692
 1055   1HD1  LEU 138          HD11      LEU 138   4.649   6.393 -16.355
 1056   2HD1  LEU 138          HD12      LEU 138   5.432   5.721 -14.920
 1057   3HD1  LEU 138          HD13      LEU 138   4.255   4.757 -15.807
 1058   1HD2  LEU 138          HD21      LEU 138   4.755   7.687 -13.652
 1059   2HD2  LEU 138          HD22      LEU 138   3.866   8.391 -15.027
 1060   3HD2  LEU 138          HD23      LEU 138   3.057   8.135 -13.463
 1061    H    ARG 139           H        ARG 139  -0.526   5.507 -17.359
 1062    HA   ARG 139           HA       ARG 139  -2.638   4.928 -15.511
 1063   1HB   ARG 139          HB2       ARG 139  -2.687   6.225 -17.810
 1064   2HB   ARG 139          HB3       ARG 139  -2.824   4.629 -18.535
 1065   1HG   ARG 139          HG2       ARG 139  -5.034   5.483 -18.345
 1066   2HG   ARG 139          HG3       ARG 139  -4.882   4.246 -17.098
 1067   1HD   ARG 139          HD2       ARG 139  -6.085   6.131 -16.223
 1068   2HD   ARG 139          HD3       ARG 139  -4.533   6.033 -15.390
 1069    HE   ARG 139           HE       ARG 139  -3.992   7.789 -17.416
 1070   1HH1  ARG 139          HH21      ARG 139  -6.582   7.691 -14.997
 1071   2HH1  ARG 139          HH22      ARG 139  -6.843   9.395 -14.995
 1072   1HH2  ARG 139          HH11      ARG 139  -4.327  10.110 -17.413
 1073   2HH2  ARG 139          HH12      ARG 139  -5.507  10.777 -16.351
 1074    H    GLN 140           H        GLN 140  -0.836   2.925 -17.860
 1075    HA   GLN 140           HA       GLN 140  -2.348   0.578 -17.182
 1076   1HB   GLN 140          HB2       GLN 140   0.379   0.736 -18.482
 1077   2HB   GLN 140          HB3       GLN 140  -0.643  -0.705 -18.321
 1078   1HG   GLN 140          HG2       GLN 140  -2.425   0.513 -19.653
 1079   2HG   GLN 140          HG3       GLN 140  -1.218   1.754 -20.007
 1080   1HE2  GLN 140          HE22      GLN 140   0.821   1.006 -21.176
 1081   2HE2  GLN 140          HE21      GLN 140   0.746  -0.424 -22.171
 1082    H    LEU 141           H        LEU 141   0.589   2.061 -15.768
 1083    HA   LEU 141           HA       LEU 141   1.172  -0.079 -13.989
 1084   1HB   LEU 141          HB2       LEU 141   1.519   2.912 -13.667
 1085   2HB   LEU 141          HB3       LEU 141   1.698   1.871 -12.281
 1086    HG   LEU 141           HG       LEU 141   3.535   0.659 -13.320
 1087   1HD1  LEU 141          HD11      LEU 141   2.903   1.004 -15.701
 1088   2HD1  LEU 141          HD12      LEU 141   3.466   2.675 -15.567
 1089   3HD1  LEU 141          HD13      LEU 141   4.606   1.342 -15.323
 1090   1HD2  LEU 141          HD21      LEU 141   4.126   2.477 -11.901
 1091   2HD2  LEU 141          HD22      LEU 141   5.130   2.638 -13.362
 1092   3HD2  LEU 141          HD23      LEU 141   3.722   3.676 -13.140
 1093    H    ALA 142           H        ALA 142  -1.215   2.553 -13.680
 1094    HA   ALA 142           HA       ALA 142  -2.159   1.731 -11.129
 1095   1HB   ALA 142          HB1       ALA 142  -4.126   3.128 -11.612
 1096   2HB   ALA 142          HB2       ALA 142  -2.631   3.972 -12.058
 1097   3HB   ALA 142          HB3       ALA 142  -3.663   3.245 -13.312
 1098    H    LYS 143           H        LYS 143  -3.157   0.824 -14.423
 1099    HA   LYS 143           HA       LYS 143  -5.273  -0.917 -13.655
 1100   1HB   LYS 143          HB2       LYS 143  -3.409  -1.144 -16.054
 1101   2HB   LYS 143          HB3       LYS 143  -4.824  -2.155 -15.789
 1102   1HG   LYS 143          HG2       LYS 143  -6.310  -0.211 -15.846
 1103   2HG   LYS 143          HG3       LYS 143  -4.931   0.879 -16.044
 1104   1HD   LYS 143          HD2       LYS 143  -4.348  -0.244 -18.192
 1105   2HD   LYS 143          HD3       LYS 143  -5.745  -1.324 -17.989
 1106   1HE   LYS 143          HE2       LYS 143  -7.253   0.672 -17.942
 1107   2HE   LYS 143          HE3       LYS 143  -5.858   1.722 -18.218
 1108   1HZ   LYS 143          HZ1       LYS 143  -7.033   1.238 -20.271
 1109   2HZ   LYS 143          HZ2       LYS 143  -5.536   0.604 -20.359
 1110   3HZ   LYS 143          HZ3       LYS 143  -6.828  -0.365 -20.092
 1111    H    GLN 144           H        GLN 144  -1.779  -1.614 -14.024
 1112    HA   GLN 144           HA       GLN 144  -1.932  -4.390 -13.449
 1113   1HB   GLN 144          HB2       GLN 144   0.287  -2.359 -12.956
 1114   2HB   GLN 144          HB3       GLN 144   0.496  -4.058 -12.615
 1115   1HG   GLN 144          HG2       GLN 144  -0.289  -3.078 -15.394
 1116   2HG   GLN 144          HG3       GLN 144   1.380  -3.161 -14.847
 1117   1HE2  GLN 144          HE22      GLN 144   2.435  -5.017 -15.500
 1118   2HE2  GLN 144          HE21      GLN 144   1.658  -6.573 -15.699
 1119    H    LEU 145           H        LEU 145  -1.416  -1.614 -11.239
 1120    HA   LEU 145           HA       LEU 145  -1.122  -3.260  -8.938
 1121   1HB   LEU 145          HB2       LEU 145  -1.809  -0.319  -9.298
 1122   2HB   LEU 145          HB3       LEU 145  -1.568  -1.041  -7.711
 1123    HG   LEU 145           HG       LEU 145   0.534  -1.187  -9.936
 1124   1HD1  LEU 145          HD11      LEU 145   0.398   0.721  -7.564
 1125   2HD1  LEU 145          HD12      LEU 145   1.714   0.588  -8.764
 1126   3HD1  LEU 145          HD13      LEU 145   0.122   1.144  -9.272
 1127   1HD2  LEU 145          HD21      LEU 145   0.897  -2.955  -8.388
 1128   2HD2  LEU 145          HD22      LEU 145   2.074  -1.697  -8.065
 1129   3HD2  LEU 145          HD23      LEU 145   0.661  -1.870  -6.986
 1130    H    LYS 146           H        LYS 146  -4.059  -1.610 -10.237
 1131    HA   LYS 146           HA       LYS 146  -5.724  -2.603  -8.083
 1132   1HB   LYS 146          HB2       LYS 146  -6.216  -1.437 -10.839
 1133   2HB   LYS 146          HB3       LYS 146  -7.543  -2.226  -9.956
 1134   1HG   LYS 146          HG2       LYS 146  -7.045  -0.739  -7.991
 1135   2HG   LYS 146          HG3       LYS 146  -5.864   0.116  -9.000
 1136   1HD   LYS 146          HD2       LYS 146  -7.617   0.820 -10.549
 1137   2HD   LYS 146          HD3       LYS 146  -8.812  -0.213  -9.731
 1138   1HE   LYS 146          HE2       LYS 146  -8.525   1.116  -7.643
 1139   2HE   LYS 146          HE3       LYS 146  -7.387   2.175  -8.485
 1140   1HZ   LYS 146          HZ1       LYS 146  -9.567   3.142  -8.455
 1141   2HZ   LYS 146          HZ2       LYS 146  -9.185   2.782 -10.010
 1142   3HZ   LYS 146          HZ3       LYS 146 -10.248   1.833  -9.179
 1143    H    LYS 147           H        LYS 147  -4.885  -3.907 -11.321
 1144    HA   LYS 147           HA       LYS 147  -6.806  -5.984 -11.240
 1145   1HB   LYS 147          HB2       LYS 147  -5.804  -5.110 -13.301
 1146   2HB   LYS 147          HB3       LYS 147  -4.210  -5.720 -12.822
 1147   1HG   LYS 147          HG2       LYS 147  -5.023  -8.037 -12.995
 1148   2HG   LYS 147          HG3       LYS 147  -6.653  -7.448 -13.396
 1149   1HD   LYS 147          HD2       LYS 147  -5.779  -6.383 -15.444
 1150   2HD   LYS 147          HD3       LYS 147  -4.125  -6.885 -15.019
 1151   1HE   LYS 147          HE2       LYS 147  -4.811  -9.255 -15.103
 1152   2HE   LYS 147          HE3       LYS 147  -6.467  -8.777 -15.503
 1153   1HZ   LYS 147          HZ1       LYS 147  -4.091  -8.265 -17.200
 1154   2HZ   LYS 147          HZ2       LYS 147  -5.227  -9.398 -17.476
 1155   3HZ   LYS 147          HZ3       LYS 147  -5.621  -7.821 -17.568
 1156    H    ASP 148           H        ASP 148  -3.318  -5.994 -10.371
 1157    HA   ASP 148           HA       ASP 148  -3.649  -8.820  -9.412
 1158   1HB   ASP 148          HB2       ASP 148  -2.520  -8.608 -11.575
 1159   2HB   ASP 148          HB3       ASP 148  -1.363  -7.471 -10.883
 1160    H    ARG 149           H        ARG 149  -2.453  -5.649  -8.503
 1161    HA   ARG 149           HA       ARG 149  -0.912  -4.899  -7.051
 1162   1HB   ARG 149          HB2       ARG 149  -2.815  -5.708  -5.549
 1163   2HB   ARG 149          HB3       ARG 149  -1.783  -7.061  -5.121
 1164   1HG   ARG 149          HG2       ARG 149  -1.330  -4.093  -4.602
 1165   2HG   ARG 149          HG3       ARG 149  -1.599  -5.383  -3.430
 1166   1HD   ARG 149          HD2       ARG 149   0.649  -6.372  -4.278
 1167   2HD   ARG 149          HD3       ARG 149   0.902  -4.781  -5.038
 1168    HE   ARG 149           HE       ARG 149   0.232  -4.564  -2.249
 1169   1HH1  ARG 149          HH21      ARG 149   2.905  -5.340  -4.512
 1170   2HH1  ARG 149          HH22      ARG 149   4.139  -5.028  -3.324
 1171   1HH2  ARG 149          HH11      ARG 149   1.929  -4.361  -0.656
 1172   2HH2  ARG 149          HH12      ARG 149   3.590  -4.584  -1.119
 1173    H    ARG 150           H        ARG 150   0.684  -5.574  -8.605
 1174    HA   ARG 150           HA       ARG 150   2.206  -7.934  -8.431
 1175   1HB   ARG 150          HB2       ARG 150   2.258  -5.979 -10.200
 1176   2HB   ARG 150          HB3       ARG 150   3.358  -5.202  -9.061
 1177   1HG   ARG 150          HG2       ARG 150   4.816  -6.211 -10.517
 1178   2HG   ARG 150          HG3       ARG 150   4.754  -7.415  -9.238
 1179   1HD   ARG 150          HD2       ARG 150   3.248  -7.455 -11.898
 1180   2HD   ARG 150          HD3       ARG 150   4.670  -8.417 -11.512
 1181    HE   ARG 150           HE       ARG 150   1.888  -8.806 -10.555
 1182   1HH1  ARG 150          HH11      ARG 150   5.243 -10.014 -10.354
 1183   2HH1  ARG 150          HH12      ARG 150   4.776 -11.473  -9.561
 1184   1HH2  ARG 150          HH22      ARG 150   1.311 -10.593  -9.588
 1185   2HH2  ARG 150          HH21      ARG 150   2.433 -11.855  -9.109
  Start of MODEL    3
    1   1H    MET   1           H1       MET   1   2.221  -0.019   0.762
    2   2H    MET   1           H2       MET   1   1.031   0.794   0.002
    3   3H    MET   1           H3       MET   1   0.969  -0.848   0.102
    4    HA   MET   1           HA       MET   1   2.956  -1.032  -1.260
    5   1HB   MET   1          HB2       MET   1   0.721  -1.090  -2.350
    6   2HB   MET   1          HB3       MET   1   0.770   0.651  -2.579
    7   1HG   MET   1          HG2       MET   1   1.386  -0.729  -4.596
    8   2HG   MET   1          HG3       MET   1   2.594   0.473  -4.151
    9   1HE   MET   1          HE1       MET   1   4.323  -2.940  -5.623
   10   2HE   MET   1          HE2       MET   1   2.642  -2.496  -5.912
   11   3HE   MET   1          HE3       MET   1   3.912  -1.256  -6.056
   12    H    ASP   2           H        ASP   2   4.832   0.011  -2.118
   13    HA   ASP   2           HA       ASP   2   4.916   2.938  -2.058
   14   1HB   ASP   2          HB2       ASP   2   5.422   2.273   0.239
   15   2HB   ASP   2          HB3       ASP   2   6.696   1.209  -0.342
   16    H    ILE   3           H        ILE   3   6.119   3.614  -3.768
   17    HA   ILE   3           HA       ILE   3   7.649   1.561  -5.263
   18    HB   ILE   3           HB       ILE   3   6.050   3.798  -6.497
   19   1HG1  ILE   3          HG12      ILE   3   5.095   0.941  -6.041
   20   2HG1  ILE   3          HG13      ILE   3   4.462   2.388  -5.262
   21   1HG2  ILE   3          HG21      ILE   3   6.211   2.434  -8.585
   22   2HG2  ILE   3          HG22      ILE   3   7.764   2.954  -7.987
   23   3HG2  ILE   3          HG23      ILE   3   7.245   1.282  -7.718
   24   1HD1  ILE   3          HD11      ILE   3   3.782   3.266  -7.524
   25   2HD1  ILE   3          HD12      ILE   3   4.154   1.651  -8.175
   26   3HD1  ILE   3          HD13      ILE   3   2.917   1.844  -6.922
   27    H    ILE   4           H        ILE   4   9.611   2.247  -6.274
   28    HA   ILE   4           HA       ILE   4  10.316   5.130  -6.002
   29    HB   ILE   4           HB       ILE   4  12.328   2.860  -5.907
   30   1HG1  ILE   4          HG12      ILE   4  11.266   4.443  -3.539
   31   2HG1  ILE   4          HG13      ILE   4  10.842   2.768  -3.899
   32   1HG2  ILE   4          HG21      ILE   4  13.899   4.618  -5.249
   33   2HG2  ILE   4          HG22      ILE   4  13.109   5.109  -6.730
   34   3HG2  ILE   4          HG23      ILE   4  12.591   5.821  -5.191
   35   1HD1  ILE   4          HD11      ILE   4  13.628   3.742  -3.248
   36   2HD1  ILE   4          HD12      ILE   4  12.551   2.822  -2.199
   37   3HD1  ILE   4          HD13      ILE   4  13.189   2.070  -3.675
   38    H    PHE   5           H        PHE   5  10.339   6.042  -7.971
   39    HA   PHE   5           HA       PHE   5  10.962   4.487 -10.392
   40   1HB   PHE   5          HB2       PHE   5  10.355   7.446  -9.897
   41   2HB   PHE   5          HB3       PHE   5  10.664   6.747 -11.476
   42    HD1  PHE   5           HD1      PHE   5   8.140   7.383  -8.943
   43    HD2  PHE   5           HD2      PHE   5   9.082   4.948 -12.383
   44    HE1  PHE   5           HE1      PHE   5   5.734   6.842  -9.230
   45    HE2  PHE   5           HE2      PHE   5   6.674   4.429 -12.668
   46    HZ   PHE   5           HZ       PHE   5   4.998   5.365 -11.088
   47    H    VAL   6           H        VAL   6  13.111   4.487 -11.251
   48    HA   VAL   6           HA       VAL   6  15.015   6.388 -10.042
   49    HB   VAL   6           HB       VAL   6  14.959   4.631  -8.484
   50   1HG1  VAL   6          HG11      VAL   6  14.004   2.803  -9.824
   51   2HG1  VAL   6          HG12      VAL   6  15.580   2.605 -10.646
   52   3HG1  VAL   6          HG13      VAL   6  15.424   2.311  -8.907
   53   1HG2  VAL   6          HG21      VAL   6  17.471   4.359 -10.179
   54   2HG2  VAL   6          HG22      VAL   6  17.153   5.522  -8.858
   55   3HG2  VAL   6          HG23      VAL   6  17.287   3.804  -8.511
   56    H    CYS   7           H        CYS   7  16.610   7.097 -11.225
   57    HA   CYS   7           HA       CYS   7  17.559   5.667 -13.602
   58   1HB   CYS   7          HB2       CYS   7  15.653   7.237 -14.315
   59   2HB   CYS   7          HB3       CYS   7  16.629   8.576 -13.741
   60    HG   CYS   7           HG       CYS   7  17.634   6.256 -15.918
   61    H    THR   8           H        THR   8  19.814   6.315 -14.085
   62    HA   THR   8           HA       THR   8  21.307   7.615 -12.003
   63    HB   THR   8           HB       THR   8  23.005   7.844 -13.959
   64    HG1  THR   8           HG1      THR   8  22.499   6.834 -15.815
   65   1HG2  THR   8          HG21      THR   8  23.505   5.412 -13.942
   66   2HG2  THR   8          HG22      THR   8  23.157   6.068 -12.337
   67   3HG2  THR   8          HG23      THR   8  21.923   5.103 -13.179
   68    H    GLY   9           H        GLY   9  19.616   8.758 -14.915
   69   1HA   GLY   9          HA2       GLY   9  20.636  11.471 -14.782
   70   2HA   GLY   9          HA3       GLY   9  19.341  10.845 -15.812
   71    H    ASN  10           H        ASN  10  18.524   9.888 -12.749
   72    HA   ASN  10           HA       ASN  10  16.628  10.307 -11.624
   73   1HB   ASN  10          HB2       ASN  10  17.031  11.972  -9.857
   74   2HB   ASN  10          HB3       ASN  10  18.313  10.810 -10.121
   75   1HD2  ASN  10          HD22      ASN  10  17.764  14.157  -9.569
   76   2HD2  ASN  10          HD21      ASN  10  19.254  14.735 -10.258
   77    H    THR  11           H        THR  11  17.289  13.817 -12.148
   78    HA   THR  11           HA       THR  11  14.536  14.477 -12.267
   79    HB   THR  11           HB       THR  11  15.650  16.712 -13.043
   80    HG1  THR  11           HG1      THR  11  17.853  16.781 -12.761
   81   1HG2  THR  11          HG21      THR  11  14.955  16.510 -10.790
   82   2HG2  THR  11          HG22      THR  11  16.141  15.257 -10.423
   83   3HG2  THR  11          HG23      THR  11  16.685  16.917 -10.666
   84    H    CYS  12           H        CYS  12  16.545  13.122 -14.701
   85    HA   CYS  12           HA       CYS  12  15.535  14.190 -17.081
   86   1HB   CYS  12          HB2       CYS  12  16.005  11.931 -18.014
   87   2HB   CYS  12          HB3       CYS  12  17.343  12.547 -17.028
   88    HG   CYS  12           HG       CYS  12  16.997   9.923 -16.722
   89    H    ARG  13           H        ARG  13  13.988  11.771 -14.918
   90    HA   ARG  13           HA       ARG  13  11.395  12.422 -16.077
   91   1HB   ARG  13          HB2       ARG  13  12.690  10.637 -17.624
   92   2HB   ARG  13          HB3       ARG  13  12.132   9.501 -16.392
   93   1HG   ARG  13          HG2       ARG  13   9.780  10.499 -16.755
   94   2HG   ARG  13          HG3       ARG  13  10.463  11.383 -18.121
   95   1HD   ARG  13          HD2       ARG  13  10.160   8.380 -17.768
   96   2HD   ARG  13          HD3       ARG  13   9.382   9.417 -18.960
   97    HE   ARG  13           HE       ARG  13  11.393   9.639 -20.187
   98   1HH1  ARG  13          HH11      ARG  13  11.621   7.121 -17.631
   99   2HH1  ARG  13          HH12      ARG  13  12.728   6.185 -18.587
  100   1HH2  ARG  13          HH21      ARG  13  13.075   8.483 -21.162
  101   2HH2  ARG  13          HH22      ARG  13  13.767   7.073 -20.400
  102    H    SER  14           H        SER  14  13.310  10.461 -13.733
  103    HA   SER  14           HA       SER  14  11.292   8.986 -12.643
  104   1HB   SER  14          HB2       SER  14  13.544  10.295 -11.090
  105   2HB   SER  14          HB3       SER  14  12.678   8.796 -10.691
  106    HG   SER  14           HG       SER  14  14.714   8.502 -11.767
  107    HA   PRO  15           HA       PRO  15   9.719  12.349  -9.747
  108   1HB   PRO  15          HB2       PRO  15  10.162  15.004 -10.105
  109   2HB   PRO  15          HB3       PRO  15  11.259  13.926  -9.197
  110   1HG   PRO  15          HG2       PRO  15  11.520  14.812 -12.085
  111   2HG   PRO  15          HG3       PRO  15  12.768  14.839 -10.795
  112   1HD   PRO  15          HD2       PRO  15  12.603  12.813 -12.591
  113   2HD   PRO  15          HD3       PRO  15  13.050  12.498 -10.888
  114    H    MET  16           H        MET  16   9.791  12.952 -13.258
  115    HA   MET  16           HA       MET  16   7.206  14.226 -13.389
  116   1HB   MET  16          HB2       MET  16   8.592  12.483 -15.473
  117   2HB   MET  16          HB3       MET  16   7.175  13.482 -15.733
  118   1HG   MET  16          HG2       MET  16   8.437  15.509 -15.421
  119   2HG   MET  16          HG3       MET  16   9.849  14.616 -14.851
  120   1HE   MET  16          HE1       MET  16   7.641  13.551 -18.137
  121   2HE   MET  16          HE2       MET  16   7.489  15.313 -17.850
  122   3HE   MET  16          HE3       MET  16   8.407  14.720 -19.251
  123    H    ALA  17           H        ALA  17   8.449  10.887 -13.544
  124    HA   ALA  17           HA       ALA  17   5.920   9.650 -13.902
  125   1HB   ALA  17          HB1       ALA  17   8.117   8.526 -14.379
  126   2HB   ALA  17          HB2       ALA  17   8.438   8.468 -12.633
  127   3HB   ALA  17          HB3       ALA  17   7.075   7.564 -13.315
  128    H    GLU  18           H        GLU  18   7.794  10.455 -10.995
  129    HA   GLU  18           HA       GLU  18   6.050   9.321  -9.102
  130   1HB   GLU  18          HB2       GLU  18   8.380  10.303  -8.719
  131   2HB   GLU  18          HB3       GLU  18   7.653  11.909  -8.834
  132   1HG   GLU  18          HG2       GLU  18   6.094  11.093  -6.909
  133   2HG   GLU  18          HG3       GLU  18   7.299   9.807  -6.702
  134    H    ALA  19           H        ALA  19   6.024  12.589 -10.530
  135    HA   ALA  19           HA       ALA  19   3.811  13.470  -8.950
  136   1HB   ALA  19          HB1       ALA  19   4.890  14.585 -11.579
  137   2HB   ALA  19          HB2       ALA  19   3.895  15.452 -10.388
  138   3HB   ALA  19          HB3       ALA  19   5.529  14.955  -9.958
  139    H    LEU  20           H        LEU  20   4.062  12.070 -12.189
  140    HA   LEU  20           HA       LEU  20   1.281  12.398 -12.846
  141   1HB   LEU  20          HB2       LEU  20   3.452  10.542 -13.868
  142   2HB   LEU  20          HB3       LEU  20   1.779  10.380 -14.403
  143    HG   LEU  20           HG       LEU  20   3.593  12.766 -14.888
  144   1HD1  LEU  20          HD11      LEU  20   3.995  10.707 -16.211
  145   2HD1  LEU  20          HD12      LEU  20   2.322  10.764 -16.782
  146   3HD1  LEU  20          HD13      LEU  20   3.450  12.067 -17.210
  147   1HD2  LEU  20          HD21      LEU  20   1.737  13.570 -16.363
  148   2HD2  LEU  20          HD22      LEU  20   0.666  12.342 -15.651
  149   3HD2  LEU  20          HD23      LEU  20   1.332  13.651 -14.645
  150    H    PHE  21           H        PHE  21   3.163   9.745 -11.296
  151    HA   PHE  21           HA       PHE  21   0.806   8.125 -11.265
  152   1HB   PHE  21          HB2       PHE  21   3.192   7.215 -11.173
  153   2HB   PHE  21          HB3       PHE  21   3.148   7.578  -9.440
  154    HD1  PHE  21           HD1      PHE  21   1.461   5.740 -12.217
  155    HD2  PHE  21           HD2      PHE  21   1.704   6.220  -7.944
  156    HE1  PHE  21           HE1      PHE  21  -0.136   3.887 -11.929
  157    HE2  PHE  21           HE2      PHE  21   0.104   4.326  -7.669
  158    HZ   PHE  21           HZ       PHE  21  -0.842   3.195  -9.653
  159    H    LYS  22           H        LYS  22   2.215  10.394  -8.913
  160    HA   LYS  22           HA       LYS  22   0.392   9.824  -6.803
  161   1HB   LYS  22          HB2       LYS  22   1.831  12.363  -7.685
  162   2HB   LYS  22          HB3       LYS  22   0.734  12.361  -6.298
  163   1HG   LYS  22          HG2       LYS  22   2.028  10.649  -5.150
  164   2HG   LYS  22          HG3       LYS  22   3.076  10.440  -6.545
  165   1HD   LYS  22          HD2       LYS  22   4.007  12.675  -6.297
  166   2HD   LYS  22          HD3       LYS  22   2.841  13.063  -5.010
  167   1HE   LYS  22          HE2       LYS  22   3.790  11.305  -3.576
  168   2HE   LYS  22          HE3       LYS  22   4.923  10.837  -4.851
  169   1HZ   LYS  22          HZ1       LYS  22   5.879  12.289  -3.124
  170   2HZ   LYS  22          HZ2       LYS  22   6.062  12.888  -4.628
  171   3HZ   LYS  22          HZ3       LYS  22   4.923  13.521  -3.606
  172    H    SER  23           H        SER  23   0.086  12.039  -9.590
  173    HA   SER  23           HA       SER  23  -2.521  12.878  -8.887
  174   1HB   SER  23          HB2       SER  23  -1.277  12.734 -11.665
  175   2HB   SER  23          HB3       SER  23  -2.612  13.787 -11.144
  176    HG   SER  23           HG       SER  23   0.122  13.836 -10.355
  177    H    ILE  24           H        ILE  24  -1.460  10.128 -10.878
  178    HA   ILE  24           HA       ILE  24  -4.121   9.396 -11.660
  179    HB   ILE  24           HB       ILE  24  -1.446   7.985 -11.748
  180   1HG1  ILE  24          HG12      ILE  24  -3.318   8.895 -13.988
  181   2HG1  ILE  24          HG13      ILE  24  -2.098   9.958 -13.301
  182   1HG2  ILE  24          HG21      ILE  24  -4.095   6.878 -12.793
  183   2HG2  ILE  24          HG22      ILE  24  -2.485   6.188 -13.103
  184   3HG2  ILE  24          HG23      ILE  24  -3.127   6.198 -11.468
  185   1HD1  ILE  24          HD11      ILE  24  -1.503   7.340 -14.733
  186   2HD1  ILE  24          HD12      ILE  24  -1.249   8.978 -15.342
  187   3HD1  ILE  24          HD13      ILE  24  -0.304   8.409 -13.958
  188    H    ALA  25           H        ALA  25  -1.999   8.447  -8.948
  189    HA   ALA  25           HA       ALA  25  -3.727   6.418  -7.963
  190   1HB   ALA  25          HB1       ALA  25  -1.735   8.203  -6.477
  191   2HB   ALA  25          HB2       ALA  25  -2.489   6.742  -5.820
  192   3HB   ALA  25          HB3       ALA  25  -1.387   6.617  -7.206
  193    H    GLU  26           H        GLU  26  -3.603   9.934  -7.388
  194    HA   GLU  26           HA       GLU  26  -5.730   9.934  -5.513
  195   1HB   GLU  26          HB2       GLU  26  -4.107  11.796  -5.847
  196   2HB   GLU  26          HB3       GLU  26  -4.846  12.157  -7.412
  197   1HG   GLU  26          HG2       GLU  26  -6.984  12.693  -6.296
  198   2HG   GLU  26          HG3       GLU  26  -6.301  12.238  -4.732
  199    H    ARG  27           H        ARG  27  -5.754  10.206  -9.098
  200    HA   ARG  27           HA       ARG  27  -8.572  10.674  -9.178
  201   1HB   ARG  27          HB2       ARG  27  -8.484  10.739 -11.405
  202   2HB   ARG  27          HB3       ARG  27  -6.780  11.019 -11.078
  203   1HG   ARG  27          HG2       ARG  27  -6.278   8.673 -11.666
  204   2HG   ARG  27          HG3       ARG  27  -7.997   8.329 -11.857
  205   1HD   ARG  27          HD2       ARG  27  -6.364  10.235 -13.555
  206   2HD   ARG  27          HD3       ARG  27  -6.806   8.585 -13.994
  207    HE   ARG  27           HE       ARG  27  -8.445  10.960 -14.129
  208   1HH1  ARG  27          HH21      ARG  27  -8.740   7.381 -13.711
  209   2HH1  ARG  27          HH22      ARG  27 -10.279   7.343 -14.481
  210   1HH2  ARG  27          HH11      ARG  27 -10.523  10.824 -15.053
  211   2HH2  ARG  27          HH12      ARG  27 -11.328   9.311 -15.205
  212    H    GLU  28           H        GLU  28  -6.666   7.708  -9.227
  213    HA   GLU  28           HA       GLU  28  -8.980   5.999  -9.699
  214   1HB   GLU  28          HB2       GLU  28  -6.100   5.383  -8.943
  215   2HB   GLU  28          HB3       GLU  28  -7.309   4.161  -9.308
  216   1HG   GLU  28          HG2       GLU  28  -6.161   6.219 -11.229
  217   2HG   GLU  28          HG3       GLU  28  -5.920   4.482 -11.231
  218    H    GLY  29           H        GLY  29  -7.398   7.294  -6.854
  219   1HA   GLY  29          HA2       GLY  29  -7.923   7.109  -4.623
  220   2HA   GLY  29          HA3       GLY  29  -9.249   5.989  -4.994
  221    H    LEU  30           H        LEU  30  -5.834   5.717  -6.050
  222    HA   LEU  30           HA       LEU  30  -5.803   2.917  -5.101
  223   1HB   LEU  30          HB2       LEU  30  -4.826   4.202  -7.397
  224   2HB   LEU  30          HB3       LEU  30  -3.367   3.948  -6.455
  225    HG   LEU  30           HG       LEU  30  -5.417   1.783  -7.116
  226   1HD1  LEU  30          HD11      LEU  30  -4.384   2.619  -9.167
  227   2HD1  LEU  30          HD12      LEU  30  -2.760   2.406  -8.467
  228   3HD1  LEU  30          HD13      LEU  30  -3.792   0.994  -8.801
  229   1HD2  LEU  30          HD21      LEU  30  -4.042   1.229  -5.118
  230   2HD2  LEU  30          HD22      LEU  30  -3.658   0.184  -6.484
  231   3HD2  LEU  30          HD23      LEU  30  -2.564   1.515  -6.061
  232    H    ASN  31           H        ASN  31  -4.913   2.451  -3.123
  233    HA   ASN  31           HA       ASN  31  -3.501   4.480  -1.592
  234   1HB   ASN  31          HB2       ASN  31  -4.916   2.850  -0.434
  235   2HB   ASN  31          HB3       ASN  31  -3.952   1.509  -1.069
  236   1HD2  ASN  31          HD22      ASN  31  -3.702   4.488   0.980
  237   2HD2  ASN  31          HD21      ASN  31  -2.382   3.895   1.946
  238    H    VAL  32           H        VAL  32  -1.468   5.051  -2.221
  239    HA   VAL  32           HA       VAL  32   0.606   2.997  -2.217
  240    HB   VAL  32           HB       VAL  32   1.721   3.908  -4.224
  241   1HG1  VAL  32          HG11      VAL  32   0.283   1.889  -4.475
  242   2HG1  VAL  32          HG12      VAL  32  -1.035   2.944  -5.025
  243   3HG1  VAL  32          HG13      VAL  32   0.479   2.838  -5.949
  244   1HG2  VAL  32          HG21      VAL  32  -0.862   5.376  -4.864
  245   2HG2  VAL  32          HG22      VAL  32   0.610   6.169  -4.256
  246   3HG2  VAL  32          HG23      VAL  32   0.644   5.353  -5.810
  247    H    ASN  33           H        ASN  33   2.772   4.105  -2.235
  248    HA   ASN  33           HA       ASN  33   2.809   7.007  -1.853
  249   1HB   ASN  33          HB2       ASN  33   3.370   6.011   0.394
  250   2HB   ASN  33          HB3       ASN  33   4.611   5.014  -0.380
  251   1HD2  ASN  33          HD22      ASN  33   6.612   5.963  -0.936
  252   2HD2  ASN  33          HD21      ASN  33   6.988   7.651  -0.597
  253    H    VAL  34           H        VAL  34   4.676   7.832  -3.041
  254    HA   VAL  34           HA       VAL  34   6.282   5.867  -4.439
  255    HB   VAL  34           HB       VAL  34   6.000   6.831  -6.647
  256   1HG1  VAL  34          HG11      VAL  34   4.336   5.005  -5.902
  257   2HG1  VAL  34          HG12      VAL  34   3.160   6.312  -5.680
  258   3HG1  VAL  34          HG13      VAL  34   3.868   6.010  -7.279
  259   1HG2  VAL  34          HG21      VAL  34   5.318   9.141  -6.020
  260   2HG2  VAL  34          HG22      VAL  34   4.218   8.418  -7.198
  261   3HG2  VAL  34          HG23      VAL  34   3.751   8.528  -5.484
  262    H    ARG  35           H        ARG  35   8.359   6.596  -4.905
  263    HA   ARG  35           HA       ARG  35   9.001   9.450  -4.399
  264   1HB   ARG  35          HB2       ARG  35  10.971   7.228  -3.784
  265   2HB   ARG  35          HB3       ARG  35  11.063   8.925  -3.380
  266   1HG   ARG  35          HG2       ARG  35  10.578   8.238  -1.344
  267   2HG   ARG  35          HG3       ARG  35   8.883   8.269  -1.879
  268   1HD   ARG  35          HD2       ARG  35   9.168   5.838  -2.555
  269   2HD   ARG  35          HD3       ARG  35  10.788   5.864  -1.881
  270    HE   ARG  35           HE       ARG  35   8.602   5.059  -0.572
  271   1HH1  ARG  35          HH21      ARG  35  10.619   7.898   0.344
  272   2HH1  ARG  35          HH22      ARG  35  10.405   7.599   2.025
  273   1HH2  ARG  35          HH11      ARG  35   8.504   4.645   1.503
  274   2HH2  ARG  35          HH12      ARG  35   9.105   5.741   2.734
  275    H    SER  36           H        SER  36  11.200   9.906  -5.417
  276    HA   SER  36           HA       SER  36  11.853   8.144  -7.663
  277   1HB   SER  36          HB2       SER  36  12.229  10.227  -9.056
  278   2HB   SER  36          HB3       SER  36  10.543   9.772  -8.760
  279    HG   SER  36           HG       SER  36  10.457  11.381  -7.130
  280    H    ALA  37           H        ALA  37  14.065   8.146  -8.206
  281    HA   ALA  37           HA       ALA  37  15.995   9.665  -6.584
  282   1HB   ALA  37          HB1       ALA  37  15.185   7.809  -5.096
  283   2HB   ALA  37          HB2       ALA  37  15.646   6.636  -6.349
  284   3HB   ALA  37          HB3       ALA  37  16.882   7.623  -5.532
  285    H    GLY  38           H        GLY  38  18.187   8.374  -6.970
  286   1HA   GLY  38          HA2       GLY  38  18.421   7.083  -9.575
  287   2HA   GLY  38          HA3       GLY  38  19.361   8.569  -9.398
  288    H    VAL  39           H        VAL  39  20.464   5.850  -9.657
  289    HA   VAL  39           HA       VAL  39  21.141   4.800  -7.078
  290    HB   VAL  39           HB       VAL  39  22.992   3.611  -8.395
  291   1HG1  VAL  39          HG11      VAL  39  20.840   2.561  -7.924
  292   2HG1  VAL  39          HG12      VAL  39  20.115   3.328  -9.362
  293   3HG1  VAL  39          HG13      VAL  39  21.420   2.136  -9.548
  294   1HG2  VAL  39          HG21      VAL  39  21.521   4.752 -10.817
  295   2HG2  VAL  39          HG22      VAL  39  23.126   5.280 -10.264
  296   3HG2  VAL  39          HG23      VAL  39  22.873   3.618 -10.814
  297    H    PHE  40           H        PHE  40  22.483   7.477  -8.891
  298    HA   PHE  40           HA       PHE  40  24.225   8.055  -6.597
  299   1HB   PHE  40          HB2       PHE  40  26.142   8.597  -8.087
  300   2HB   PHE  40          HB3       PHE  40  25.755   6.904  -7.925
  301    HD1  PHE  40           HD1      PHE  40  25.458   5.489  -9.774
  302    HD2  PHE  40           HD2      PHE  40  25.470   9.779 -10.319
  303    HE1  PHE  40           HE1      PHE  40  25.804   5.191 -12.207
  304    HE2  PHE  40           HE2      PHE  40  25.728   9.462 -12.761
  305    HZ   PHE  40           HZ       PHE  40  25.927   7.171 -13.710
  306    H    ALA  41           H        ALA  41  21.684   9.086  -7.317
  307    HA   ALA  41           HA       ALA  41  21.901  11.640  -8.649
  308   1HB   ALA  41          HB1       ALA  41  19.696  12.047  -7.572
  309   2HB   ALA  41          HB2       ALA  41  19.744  10.499  -8.429
  310   3HB   ALA  41          HB3       ALA  41  19.872  10.534  -6.657
  311    H    SER  42           H        SER  42  22.140  13.635  -7.722
  312    HA   SER  42           HA       SER  42  23.677  13.768  -5.264
  313   1HB   SER  42          HB2       SER  42  22.682  16.029  -7.036
  314   2HB   SER  42          HB3       SER  42  24.002  16.083  -5.850
  315    HG   SER  42           HG       SER  42  24.765  15.816  -7.997
  316    HA   PRO  43           HA       PRO  43  20.099  14.706  -2.600
  317   1HB   PRO  43          HB2       PRO  43  22.322  16.029  -1.045
  318   2HB   PRO  43          HB3       PRO  43  20.934  15.067  -0.435
  319   1HG   PRO  43          HG2       PRO  43  23.306  13.847  -0.705
  320   2HG   PRO  43          HG3       PRO  43  21.835  13.049  -1.378
  321   1HD   PRO  43          HD2       PRO  43  23.893  14.725  -2.860
  322   2HD   PRO  43          HD3       PRO  43  23.236  13.110  -3.276
  323    H    ASN  44           H        ASN  44  21.655  16.958  -4.513
  324    HA   ASN  44           HA       ASN  44  19.863  19.161  -3.694
  325   1HB   ASN  44          HB2       ASN  44  21.564  20.772  -3.802
  326   2HB   ASN  44          HB3       ASN  44  22.251  19.496  -2.809
  327   1HD2  ASN  44          HD22      ASN  44  23.559  21.635  -4.567
  328   2HD2  ASN  44          HD21      ASN  44  24.608  20.738  -5.633
  329    H    GLY  45           H        GLY  45  20.132  17.015  -5.997
  330   1HA   GLY  45          HA2       GLY  45  20.140  18.759  -8.396
  331   2HA   GLY  45          HA3       GLY  45  19.757  17.026  -8.323
  332    H    LYS  46           H        LYS  46  17.973  19.093  -9.521
  333    HA   LYS  46           HA       LYS  46  15.588  18.488  -7.970
  334   1HB   LYS  46          HB2       LYS  46  14.881  20.822  -7.669
  335   2HB   LYS  46          HB3       LYS  46  16.312  20.427  -6.730
  336   1HG   LYS  46          HG2       LYS  46  17.738  21.556  -8.457
  337   2HG   LYS  46          HG3       LYS  46  16.283  21.985  -9.366
  338   1HD   LYS  46          HD2       LYS  46  16.921  22.873  -6.516
  339   2HD   LYS  46          HD3       LYS  46  17.183  23.837  -7.976
  340   1HE   LYS  46          HE2       LYS  46  14.737  23.738  -8.474
  341   2HE   LYS  46          HE3       LYS  46  14.478  22.834  -6.975
  342   1HZ   LYS  46          HZ1       LYS  46  15.317  24.757  -5.751
  343   2HZ   LYS  46          HZ2       LYS  46  15.553  25.591  -7.137
  344   3HZ   LYS  46          HZ3       LYS  46  14.046  25.187  -6.674
  345    H    ALA  47           H        ALA  47  13.651  19.184  -9.020
  346    HA   ALA  47           HA       ALA  47  13.414  18.217 -11.569
  347   1HB   ALA  47          HB1       ALA  47  11.529  18.646 -10.031
  348   2HB   ALA  47          HB2       ALA  47  11.658  20.392 -10.353
  349   3HB   ALA  47          HB3       ALA  47  11.205  19.276 -11.659
  350    H    THR  48           H        THR  48  13.547  18.930 -13.703
  351    HA   THR  48           HA       THR  48  15.321  21.131 -14.069
  352    HB   THR  48           HB       THR  48  15.384  20.497 -16.369
  353    HG1  THR  48           HG1      THR  48  13.894  19.094 -17.265
  354   1HG2  THR  48          HG21      THR  48  15.969  18.190 -16.267
  355   2HG2  THR  48          HG22      THR  48  16.318  18.844 -14.657
  356   3HG2  THR  48          HG23      THR  48  14.843  17.881 -14.930
  357    HA   PRO  49           HA       PRO  49  12.617  24.530 -15.081
  358   1HB   PRO  49          HB2       PRO  49  14.150  24.716 -17.680
  359   2HB   PRO  49          HB3       PRO  49  13.687  26.028 -16.551
  360   1HG   PRO  49          HG2       PRO  49  16.209  25.049 -16.526
  361   2HG   PRO  49          HG3       PRO  49  15.359  25.357 -14.974
  362   1HD   PRO  49          HD2       PRO  49  15.732  22.731 -16.426
  363   2HD   PRO  49          HD3       PRO  49  15.903  23.100 -14.681
  364    H    HIS  50           H        HIS  50  12.745  21.719 -17.181
  365    HA   HIS  50           HA       HIS  50  10.315  22.670 -18.584
  366   1HB   HIS  50          HB2       HIS  50  12.524  20.871 -19.568
  367   2HB   HIS  50          HB3       HIS  50  10.986  21.098 -20.406
  368    HD1  HIS  50           HD1      HIS  50  13.816  21.908 -21.740
  369    HD2  HIS  50           HD2      HIS  50  11.030  24.439 -19.831
  370    HE1  HIS  50           HE1      HIS  50  14.254  24.251 -22.606
  371    H    ALA  51           H        ALA  51  11.721  19.851 -16.865
  372    HA   ALA  51           HA       ALA  51   9.384  18.248 -17.155
  373   1HB   ALA  51          HB1       ALA  51  10.190  17.172 -15.026
  374   2HB   ALA  51          HB2       ALA  51  11.472  17.309 -16.240
  375   3HB   ALA  51          HB3       ALA  51  11.419  18.441 -14.877
  376    H    VAL  52           H        VAL  52  10.375  20.640 -14.707
  377    HA   VAL  52           HA       VAL  52   8.045  20.383 -13.162
  378    HB   VAL  52           HB       VAL  52  10.441  21.415 -12.757
  379   1HG1  VAL  52          HG11      VAL  52  10.244  23.343 -14.276
  380   2HG1  VAL  52          HG12      VAL  52   8.937  23.989 -13.235
  381   3HG1  VAL  52          HG13      VAL  52  10.588  23.788 -12.601
  382   1HG2  VAL  52          HG21      VAL  52   9.624  22.577 -10.748
  383   2HG2  VAL  52          HG22      VAL  52   7.963  22.438 -11.380
  384   3HG2  VAL  52          HG23      VAL  52   8.914  20.981 -10.997
  385    H    GLU  53           H        GLU  53   8.861  22.486 -15.884
  386    HA   GLU  53           HA       GLU  53   6.483  24.027 -15.690
  387   1HB   GLU  53          HB2       GLU  53   8.493  24.843 -16.795
  388   2HB   GLU  53          HB3       GLU  53   8.347  23.606 -18.057
  389   1HG   GLU  53          HG2       GLU  53   6.297  24.617 -18.887
  390   2HG   GLU  53          HG3       GLU  53   6.220  25.712 -17.501
  391    H    ALA  54           H        ALA  54   7.311  21.056 -17.469
  392    HA   ALA  54           HA       ALA  54   4.944  20.886 -19.002
  393   1HB   ALA  54          HB1       ALA  54   6.955  19.514 -19.464
  394   2HB   ALA  54          HB2       ALA  54   6.726  18.644 -17.933
  395   3HB   ALA  54          HB3       ALA  54   5.538  18.486 -19.234
  396    H    LEU  55           H        LEU  55   5.727  19.682 -15.732
  397    HA   LEU  55           HA       LEU  55   3.008  18.600 -15.447
  398   1HB   LEU  55          HB2       LEU  55   5.401  18.839 -13.650
  399   2HB   LEU  55          HB3       LEU  55   3.826  18.411 -12.973
  400    HG   LEU  55           HG       LEU  55   5.282  16.462 -13.357
  401   1HD1  LEU  55          HD11      LEU  55   2.865  16.152 -13.315
  402   2HD1  LEU  55          HD12      LEU  55   2.790  16.375 -15.090
  403   3HD1  LEU  55          HD13      LEU  55   3.656  15.000 -14.388
  404   1HD2  LEU  55          HD21      LEU  55   6.449  17.105 -15.429
  405   2HD2  LEU  55          HD22      LEU  55   5.678  15.526 -15.571
  406   3HD2  LEU  55          HD23      LEU  55   4.935  16.935 -16.345
  407    H    PHE  56           H        PHE  56   4.517  21.719 -14.735
  408    HA   PHE  56           HA       PHE  56   2.264  22.622 -13.151
  409   1HB   PHE  56          HB2       PHE  56   4.676  23.895 -14.354
  410   2HB   PHE  56          HB3       PHE  56   3.265  24.923 -14.247
  411    HD1  PHE  56           HD1      PHE  56   1.946  24.974 -12.015
  412    HD2  PHE  56           HD2      PHE  56   6.035  23.645 -12.356
  413    HE1  PHE  56           HE1      PHE  56   2.261  25.320  -9.593
  414    HE2  PHE  56           HE2      PHE  56   6.353  24.005  -9.928
  415    HZ   PHE  56           HZ       PHE  56   4.482  24.878  -8.538
  416    H    GLU  57           H        GLU  57   2.976  22.610 -16.685
  417    HA   GLU  57           HA       GLU  57   0.528  23.935 -17.384
  418   1HB   GLU  57          HB2       GLU  57   2.458  23.648 -18.903
  419   2HB   GLU  57          HB3       GLU  57   2.164  21.908 -18.952
  420   1HG   GLU  57          HG2       GLU  57  -0.081  22.323 -19.949
  421   2HG   GLU  57          HG3       GLU  57   0.201  24.066 -19.853
  422    H    LYS  58           H        LYS  58   1.360  20.444 -16.845
  423    HA   LYS  58           HA       LYS  58  -1.397  19.597 -17.110
  424   1HB   LYS  58          HB2       LYS  58   0.721  18.186 -17.320
  425   2HB   LYS  58          HB3       LYS  58   0.764  18.141 -15.551
  426   1HG   LYS  58          HG2       LYS  58  -1.348  16.970 -15.454
  427   2HG   LYS  58          HG3       LYS  58  -1.688  17.269 -17.158
  428   1HD   LYS  58          HD2       LYS  58   0.717  15.669 -16.233
  429   2HD   LYS  58          HD3       LYS  58  -0.859  14.911 -16.437
  430   1HE   LYS  58          HE2       LYS  58   0.528  16.469 -18.659
  431   2HE   LYS  58          HE3       LYS  58   0.782  14.737 -18.388
  432   1HZ   LYS  58          HZ1       LYS  58  -1.524  14.323 -18.772
  433   2HZ   LYS  58          HZ2       LYS  58  -1.882  15.923 -18.926
  434   3HZ   LYS  58          HZ3       LYS  58  -0.958  15.170 -20.044
  435    H    HIS  59           H        HIS  59  -0.033  21.542 -14.818
  436    HA   HIS  59           HA       HIS  59  -0.555  22.395 -12.872
  437   1HB   HIS  59          HB2       HIS  59  -2.820  22.958 -12.335
  438   2HB   HIS  59          HB3       HIS  59  -2.417  23.274 -14.011
  439    HD1  HIS  59           HD1      HIS  59  -5.046  21.556 -11.983
  440    HD2  HIS  59           HD2      HIS  59  -3.402  21.419 -15.845
  441    HE1  HIS  59           HE1      HIS  59  -6.779  20.395 -13.444
  442    H    ILE  60           H        ILE  60   0.480  20.036 -12.746
  443    HA   ILE  60           HA       ILE  60  -0.658  18.696 -10.342
  444    HB   ILE  60           HB       ILE  60   1.484  17.942 -12.340
  445   1HG1  ILE  60          HG12      ILE  60  -1.108  16.570 -11.466
  446   2HG1  ILE  60          HG13      ILE  60  -0.981  17.614 -12.864
  447   1HG2  ILE  60          HG21      ILE  60   1.775  15.818 -11.039
  448   2HG2  ILE  60          HG22      ILE  60   2.353  17.224 -10.164
  449   3HG2  ILE  60          HG23      ILE  60   0.784  16.500  -9.743
  450   1HD1  ILE  60          HD11      ILE  60   0.614  16.140 -13.931
  451   2HD1  ILE  60          HD12      ILE  60   0.525  14.989 -12.566
  452   3HD1  ILE  60          HD13      ILE  60  -0.905  15.304 -13.561
  453    H    ALA  61           H        ALA  61   1.764  21.003 -11.332
  454    HA   ALA  61           HA       ALA  61   3.299  22.209 -10.236
  455   1HB   ALA  61          HB1       ALA  61   1.618  21.633  -7.765
  456   2HB   ALA  61          HB2       ALA  61   2.823  22.915  -7.941
  457   3HB   ALA  61          HB3       ALA  61   1.351  22.942  -8.936
  458    H    LEU  62           H        LEU  62   4.655  20.337 -10.921
  459    HA   LEU  62           HA       LEU  62   5.615  18.363  -9.060
  460   1HB   LEU  62          HB2       LEU  62   5.819  18.431 -11.595
  461   2HB   LEU  62          HB3       LEU  62   7.084  19.634 -11.423
  462    HG   LEU  62           HG       LEU  62   7.085  16.696 -10.624
  463   1HD1  LEU  62          HD11      LEU  62   7.468  17.301 -13.034
  464   2HD1  LEU  62          HD12      LEU  62   8.894  18.233 -12.538
  465   3HD1  LEU  62          HD13      LEU  62   8.837  16.475 -12.290
  466   1HD2  LEU  62          HD21      LEU  62   9.599  17.135 -10.140
  467   2HD2  LEU  62          HD22      LEU  62   9.118  18.816  -9.892
  468   3HD2  LEU  62          HD23      LEU  62   8.427  17.499  -8.891
  469    H    ASN  63           H        ASN  63   7.159  18.620  -7.444
  470    HA   ASN  63           HA       ASN  63   9.189  20.638  -7.678
  471   1HB   ASN  63          HB2       ASN  63   6.932  21.334  -6.025
  472   2HB   ASN  63          HB3       ASN  63   8.246  20.899  -4.936
  473   1HD2  ASN  63          HD22      ASN  63   7.877  22.642  -8.086
  474   2HD2  ASN  63          HD21      ASN  63   8.880  24.013  -7.641
  475    H    HIS  64           H        HIS  64  11.025  19.593  -7.085
  476    HA   HIS  64           HA       HIS  64  10.990  17.311  -5.233
  477   1HB   HIS  64          HB2       HIS  64  10.208  16.214  -7.238
  478   2HB   HIS  64          HB3       HIS  64  11.314  17.129  -8.256
  479    HD1  HIS  64           HD1      HIS  64  11.283  13.996  -6.066
  480    HD2  HIS  64           HD2      HIS  64  13.833  16.304  -8.490
  481    HE1  HIS  64           HE1      HIS  64  13.348  12.589  -6.479
  482    H    VAL  65           H        VAL  65  13.008  16.956  -4.446
  483    HA   VAL  65           HA       VAL  65  15.388  18.147  -5.737
  484    HB   VAL  65           HB       VAL  65  14.847  18.152  -2.737
  485   1HG1  VAL  65          HG11      VAL  65  17.170  19.319  -4.334
  486   2HG1  VAL  65          HG12      VAL  65  16.958  19.385  -2.572
  487   3HG1  VAL  65          HG13      VAL  65  17.241  17.831  -3.367
  488   1HG2  VAL  65          HG21      VAL  65  14.907  20.482  -4.706
  489   2HG2  VAL  65          HG22      VAL  65  13.512  19.934  -3.753
  490   3HG2  VAL  65          HG23      VAL  65  14.905  20.642  -2.935
  491    H    SER  66           H        SER  66  16.613  16.456  -6.250
  492    HA   SER  66           HA       SER  66  15.889  13.768  -5.660
  493   1HB   SER  66          HB2       SER  66  18.481  14.829  -6.847
  494   2HB   SER  66          HB3       SER  66  17.762  13.221  -7.074
  495    HG   SER  66           HG       SER  66  15.860  14.550  -7.870
  496    H    SER  67           H        SER  67  17.547  12.121  -5.013
  497    HA   SER  67           HA       SER  67  19.659  12.643  -3.185
  498   1HB   SER  67          HB2       SER  67  16.973  11.634  -2.116
  499   2HB   SER  67          HB3       SER  67  18.506  11.351  -1.277
  500    HG   SER  67           HG       SER  67  17.820  13.954  -2.083
  501    HA   PRO  68           HA       PRO  68  20.424   8.741  -5.026
  502   1HB   PRO  68          HB2       PRO  68  22.102   7.405  -3.325
  503   2HB   PRO  68          HB3       PRO  68  22.581   8.888  -4.206
  504   1HG   PRO  68          HG2       PRO  68  21.524   8.674  -1.366
  505   2HG   PRO  68          HG3       PRO  68  22.990   9.544  -1.936
  506   1HD   PRO  68          HD2       PRO  68  20.636  10.833  -1.539
  507   2HD   PRO  68          HD3       PRO  68  21.691  11.259  -2.920
  508    H    LEU  69           H        LEU  69  19.794   6.552  -5.116
  509    HA   LEU  69           HA       LEU  69  17.780   5.598  -3.191
  510   1HB   LEU  69          HB2       LEU  69  17.446   5.110  -5.553
  511   2HB   LEU  69          HB3       LEU  69  19.050   4.390  -5.689
  512    HG   LEU  69           HG       LEU  69  18.411   2.497  -4.345
  513   1HD1  LEU  69          HD11      LEU  69  16.002   2.216  -3.579
  514   2HD1  LEU  69          HD12      LEU  69  16.916   3.405  -2.659
  515   3HD1  LEU  69          HD13      LEU  69  15.776   3.947  -3.910
  516   1HD2  LEU  69          HD21      LEU  69  16.700   1.488  -5.765
  517   2HD2  LEU  69          HD22      LEU  69  16.214   3.091  -6.357
  518   3HD2  LEU  69          HD23      LEU  69  17.832   2.445  -6.728
  519    H    THR  70           H        THR  70  18.409   4.738  -1.297
  520    HA   THR  70           HA       THR  70  20.914   3.203  -1.121
  521    HB   THR  70           HB       THR  70  20.984   4.256   1.259
  522    HG1  THR  70           HG1      THR  70  20.045   6.271   1.409
  523   1HG2  THR  70          HG21      THR  70  21.613   5.957  -1.195
  524   2HG2  THR  70          HG22      THR  70  22.344   6.118   0.419
  525   3HG2  THR  70          HG23      THR  70  22.630   4.654  -0.541
  526    H    GLU  71           H        GLU  71  20.880   1.881   1.018
  527    HA   GLU  71           HA       GLU  71  19.007   0.009   0.182
  528   1HB   GLU  71          HB2       GLU  71  21.313  -0.379   1.146
  529   2HB   GLU  71          HB3       GLU  71  20.637  -0.110   2.756
  530   1HG   GLU  71          HG2       GLU  71  19.080  -2.036   2.392
  531   2HG   GLU  71          HG3       GLU  71  19.766  -2.277   0.783
  532    H    GLU  72           H        GLU  72  18.937   2.142   3.004
  533    HA   GLU  72           HA       GLU  72  16.742   0.865   4.293
  534   1HB   GLU  72          HB2       GLU  72  16.578   2.936   5.619
  535   2HB   GLU  72          HB3       GLU  72  18.231   2.327   5.521
  536   1HG   GLU  72          HG2       GLU  72  18.728   4.040   3.751
  537   2HG   GLU  72          HG3       GLU  72  17.092   4.675   3.941
  538    H    LEU  73           H        LEU  73  16.903   3.359   1.778
  539    HA   LEU  73           HA       LEU  73  14.079   3.910   1.827
  540   1HB   LEU  73          HB2       LEU  73  15.743   5.496   0.858
  541   2HB   LEU  73          HB3       LEU  73  16.121   4.313  -0.399
  542    HG   LEU  73           HG       LEU  73  13.760   4.428  -1.193
  543   1HD1  LEU  73          HD11      LEU  73  12.377   6.373  -0.491
  544   2HD1  LEU  73          HD12      LEU  73  12.515   5.100   0.717
  545   3HD1  LEU  73          HD13      LEU  73  13.466   6.603   0.893
  546   1HD2  LEU  73          HD21      LEU  73  15.190   7.117  -1.089
  547   2HD2  LEU  73          HD22      LEU  73  15.493   5.820  -2.261
  548   3HD2  LEU  73          HD23      LEU  73  13.929   6.648  -2.254
  549    H    MET  74           H        MET  74  16.235   1.775  -0.004
  550    HA   MET  74           HA       MET  74  14.372   0.593  -1.752
  551   1HB   MET  74          HB2       MET  74  16.548   0.144  -2.298
  552   2HB   MET  74          HB3       MET  74  17.047  -0.107  -0.643
  553   1HG   MET  74          HG2       MET  74  17.252  -2.168  -1.809
  554   2HG   MET  74          HG3       MET  74  16.016  -2.303  -0.577
  555   1HE   MET  74          HE1       MET  74  16.964  -2.648  -4.268
  556   2HE   MET  74          HE2       MET  74  15.436  -2.517  -5.160
  557   3HE   MET  74          HE3       MET  74  16.149  -1.072  -4.407
  558    H    GLU  75           H        GLU  75  15.267  -0.339   1.593
  559    HA   GLU  75           HA       GLU  75  13.260  -2.455   1.541
  560   1HB   GLU  75          HB2       GLU  75  15.291  -1.518   3.562
  561   2HB   GLU  75          HB3       GLU  75  13.976  -2.577   4.077
  562   1HG   GLU  75          HG2       GLU  75  15.837  -3.229   1.754
  563   2HG   GLU  75          HG3       GLU  75  16.067  -3.795   3.406
  564    H    SER  76           H        SER  76  13.156   0.903   2.478
  565    HA   SER  76           HA       SER  76  10.711   0.670   4.014
  566   1HB   SER  76          HB2       SER  76  11.727   2.966   2.277
  567   2HB   SER  76          HB3       SER  76  10.413   3.047   3.459
  568    HG   SER  76           HG       SER  76  13.154   2.444   3.965
  569    H    ALA  77           H        ALA  77  11.516   0.948   0.520
  570    HA   ALA  77           HA       ALA  77   8.742   1.035  -0.259
  571   1HB   ALA  77          HB1       ALA  77   9.621   1.117  -2.532
  572   2HB   ALA  77          HB2       ALA  77  10.458   2.256  -1.467
  573   3HB   ALA  77          HB3       ALA  77  11.251   0.724  -1.927
  574    H    ASP  78           H        ASP  78   7.921  -0.414  -2.004
  575    HA   ASP  78           HA       ASP  78   8.468  -3.276  -1.436
  576   1HB   ASP  78          HB2       ASP  78   6.360  -2.421  -0.401
  577   2HB   ASP  78          HB3       ASP  78   5.794  -1.942  -2.002
  578    H    LEU  79           H        LEU  79   8.230  -0.783  -3.866
  579    HA   LEU  79           HA       LEU  79   8.795  -2.823  -5.924
  580   1HB   LEU  79          HB2       LEU  79   6.333  -2.118  -5.945
  581   2HB   LEU  79          HB3       LEU  79   6.871  -0.481  -6.246
  582    HG   LEU  79           HG       LEU  79   7.925  -1.261  -8.403
  583   1HD1  LEU  79          HD11      LEU  79   7.171  -3.492  -9.279
  584   2HD1  LEU  79          HD12      LEU  79   8.281  -3.642  -7.910
  585   3HD1  LEU  79          HD13      LEU  79   6.533  -3.881  -7.671
  586   1HD2  LEU  79          HD21      LEU  79   4.963  -1.946  -8.159
  587   2HD2  LEU  79          HD22      LEU  79   5.618  -0.309  -8.350
  588   3HD2  LEU  79          HD23      LEU  79   5.834  -1.500  -9.637
  589    H    VAL  80           H        VAL  80  10.331  -2.134  -7.402
  590    HA   VAL  80           HA       VAL  80  11.105   0.728  -7.368
  591    HB   VAL  80           HB       VAL  80  12.987  -1.656  -7.385
  592   1HG1  VAL  80          HG11      VAL  80  13.569   1.342  -7.390
  593   2HG1  VAL  80          HG12      VAL  80  14.785   0.056  -7.228
  594   3HG1  VAL  80          HG13      VAL  80  13.873   0.218  -8.731
  595   1HG2  VAL  80          HG21      VAL  80  12.377   0.398  -5.221
  596   2HG2  VAL  80          HG22      VAL  80  12.187  -1.365  -5.121
  597   3HG2  VAL  80          HG23      VAL  80  13.799  -0.659  -5.197
  598    H    LEU  81           H        LEU  81  11.451   1.573  -9.370
  599    HA   LEU  81           HA       LEU  81  10.870  -0.179 -11.670
  600   1HB   LEU  81          HB2       LEU  81   9.039   1.487 -10.351
  601   2HB   LEU  81          HB3       LEU  81   9.509   2.416 -11.763
  602    HG   LEU  81           HG       LEU  81   8.619  -0.530 -11.924
  603   1HD1  LEU  81          HD11      LEU  81   6.791   0.828 -10.970
  604   2HD1  LEU  81          HD12      LEU  81   6.998   2.026 -12.262
  605   3HD1  LEU  81          HD13      LEU  81   6.427   0.383 -12.644
  606   1HD2  LEU  81          HD21      LEU  81   8.933   1.660 -13.973
  607   2HD2  LEU  81          HD22      LEU  81   9.917   0.190 -13.822
  608   3HD2  LEU  81          HD23      LEU  81   8.213   0.058 -14.275
  609    H    ALA  82           H        ALA  82  12.754  -0.110 -12.670
  610    HA   ALA  82           HA       ALA  82  14.479   2.261 -12.478
  611   1HB   ALA  82          HB1       ALA  82  15.433   0.113 -11.735
  612   2HB   ALA  82          HB2       ALA  82  14.994  -0.644 -13.287
  613   3HB   ALA  82          HB3       ALA  82  16.227   0.620 -13.234
  614    H    MET  83           H        MET  83  14.910   3.507 -14.221
  615    HA   MET  83           HA       MET  83  13.445   3.192 -16.630
  616   1HB   MET  83          HB2       MET  83  15.931   4.889 -16.176
  617   2HB   MET  83          HB3       MET  83  14.788   5.044 -17.513
  618   1HG   MET  83          HG2       MET  83  14.335   5.611 -14.587
  619   2HG   MET  83          HG3       MET  83  14.208   6.726 -15.950
  620   1HE   MET  83          HE1       MET  83  12.170   5.750 -13.303
  621   2HE   MET  83          HE2       MET  83  12.020   7.287 -14.194
  622   3HE   MET  83          HE3       MET  83  10.632   6.170 -14.089
  623    H    THR  84           H        THR  84  16.554   1.666 -15.803
  624    HA   THR  84           HA       THR  84  16.492   0.445 -18.460
  625    HB   THR  84           HB       THR  84  18.832   0.832 -18.920
  626    HG1  THR  84           HG1      THR  84  19.035   2.688 -16.843
  627   1HG2  THR  84          HG21      THR  84  17.607   3.560 -18.371
  628   2HG2  THR  84          HG22      THR  84  18.962   3.184 -19.451
  629   3HG2  THR  84          HG23      THR  84  17.342   2.574 -19.828
  630    H    HIS  85           H        HIS  85  17.903  -1.392 -18.635
  631    HA   HIS  85           HA       HIS  85  17.988  -3.103 -16.367
  632   1HB   HIS  85          HB2       HIS  85  19.166  -4.638 -17.746
  633   2HB   HIS  85          HB3       HIS  85  17.947  -3.864 -18.752
  634    HD1  HIS  85           HD1      HIS  85  21.807  -3.884 -18.247
  635    HD2  HIS  85           HD2      HIS  85  18.805  -2.561 -20.914
  636    HE1  HIS  85           HE1      HIS  85  22.999  -3.075 -20.335
  637    H    GLN  86           H        GLN  86  20.268  -0.797 -17.793
  638    HA   GLN  86           HA       GLN  86  22.571  -1.569 -16.382
  639   1HB   GLN  86          HB2       GLN  86  22.489   0.003 -18.331
  640   2HB   GLN  86          HB3       GLN  86  21.813   1.244 -17.267
  641   1HG   GLN  86          HG2       GLN  86  23.862   1.142 -15.860
  642   2HG   GLN  86          HG3       GLN  86  24.524  -0.109 -16.914
  643   1HE2  GLN  86          HE22      GLN  86  25.370   0.513 -19.001
  644   2HE2  GLN  86          HE21      GLN  86  25.563   2.186 -19.454
  645    H    HIS  87           H        HIS  87  19.967   0.725 -15.499
  646    HA   HIS  87           HA       HIS  87  21.179   1.349 -12.962
  647   1HB   HIS  87          HB2       HIS  87  18.221   1.489 -13.488
  648   2HB   HIS  87          HB3       HIS  87  19.157   2.423 -12.327
  649    HD1  HIS  87           HD1      HIS  87  21.383   3.314 -14.766
  650    HD2  HIS  87           HD2      HIS  87  17.196   3.503 -14.672
  651    HE1  HIS  87           HE1      HIS  87  20.707   4.997 -16.546
  652    H    LYS  88           H        LYS  88  18.809  -1.089 -14.042
  653    HA   LYS  88           HA       LYS  88  18.203  -2.102 -11.462
  654   1HB   LYS  88          HB2       LYS  88  16.953  -2.664 -13.533
  655   2HB   LYS  88          HB3       LYS  88  18.336  -3.605 -14.105
  656   1HG   LYS  88          HG2       LYS  88  18.081  -5.072 -12.023
  657   2HG   LYS  88          HG3       LYS  88  16.559  -4.245 -11.719
  658   1HD   LYS  88          HD2       LYS  88  17.358  -5.860 -14.181
  659   2HD   LYS  88          HD3       LYS  88  16.215  -6.358 -12.918
  660   1HE   LYS  88          HE2       LYS  88  14.679  -4.511 -13.570
  661   2HE   LYS  88          HE3       LYS  88  15.818  -3.987 -14.815
  662   1HZ   LYS  88          HZ1       LYS  88  14.388  -6.580 -14.801
  663   2HZ   LYS  88          HZ2       LYS  88  14.121  -5.295 -15.794
  664   3HZ   LYS  88          HZ3       LYS  88  15.495  -6.131 -15.933
  665    H    GLN  89           H        GLN  89  20.867  -3.004 -13.669
  666    HA   GLN  89           HA       GLN  89  21.772  -5.013 -11.804
  667   1HB   GLN  89          HB2       GLN  89  23.692  -5.357 -13.250
  668   2HB   GLN  89          HB3       GLN  89  22.164  -5.372 -14.138
  669   1HG   GLN  89          HG2       GLN  89  22.649  -2.986 -14.775
  670   2HG   GLN  89          HG3       GLN  89  24.277  -3.190 -14.134
  671   1HE2  GLN  89          HE22      GLN  89  25.607  -4.991 -15.196
  672   2HE2  GLN  89          HE21      GLN  89  25.283  -5.371 -16.867
  673    H    ILE  90           H        ILE  90  22.541  -1.575 -12.241
  674    HA   ILE  90           HA       ILE  90  24.715  -1.625 -10.382
  675    HB   ILE  90           HB       ILE  90  22.804   0.611 -11.139
  676   1HG1  ILE  90          HG12      ILE  90  25.758   0.414 -11.848
  677   2HG1  ILE  90          HG13      ILE  90  24.577  -0.433 -12.826
  678   1HG2  ILE  90          HG21      ILE  90  23.697   1.138  -8.915
  679   2HG2  ILE  90          HG22      ILE  90  25.339   0.713  -9.433
  680   3HG2  ILE  90          HG23      ILE  90  24.535   2.142 -10.095
  681   1HD1  ILE  90          HD11      ILE  90  24.593   2.572 -12.331
  682   2HD1  ILE  90          HD12      ILE  90  25.039   1.716 -13.823
  683   3HD1  ILE  90          HD13      ILE  90  23.360   1.685 -13.255
  684    H    ILE  91           H        ILE  91  21.203  -1.078  -9.917
  685    HA   ILE  91           HA       ILE  91  21.164  -0.848  -7.113
  686    HB   ILE  91           HB       ILE  91  19.133  -1.962  -9.077
  687   1HG1  ILE  91          HG12      ILE  91  19.132   0.639  -7.498
  688   2HG1  ILE  91          HG13      ILE  91  19.840   0.496  -9.095
  689   1HG2  ILE  91          HG21      ILE  91  18.676  -1.350  -6.134
  690   2HG2  ILE  91          HG22      ILE  91  17.425  -1.775  -7.313
  691   3HG2  ILE  91          HG23      ILE  91  18.632  -2.972  -6.865
  692   1HD1  ILE  91          HD11      ILE  91  17.644  -0.263 -10.012
  693   2HD1  ILE  91          HD12      ILE  91  16.912   0.102  -8.431
  694   3HD1  ILE  91          HD13      ILE  91  17.664   1.392  -9.384
  695    H    ALA  92           H        ALA  92  20.997  -3.745  -9.132
  696    HA   ALA  92           HA       ALA  92  20.905  -5.599  -7.018
  697   1HB   ALA  92          HB1       ALA  92  21.833  -6.118  -9.877
  698   2HB   ALA  92          HB2       ALA  92  21.096  -7.287  -8.772
  699   3HB   ALA  92          HB3       ALA  92  20.126  -5.946  -9.418
  700    H    SER  93           H        SER  93  23.552  -3.770  -7.902
  701    HA   SER  93           HA       SER  93  25.411  -5.808  -6.792
  702   1HB   SER  93          HB2       SER  93  26.049  -3.445  -8.613
  703   2HB   SER  93          HB3       SER  93  27.175  -4.709  -8.083
  704    HG   SER  93           HG       SER  93  24.974  -4.866  -9.854
  705    H    GLN  94           H        GLN  94  24.124  -2.528  -6.417
  706    HA   GLN  94           HA       GLN  94  26.181  -1.850  -4.435
  707   1HB   GLN  94          HB2       GLN  94  24.975   0.179  -4.009
  708   2HB   GLN  94          HB3       GLN  94  25.303  -0.017  -5.727
  709   1HG   GLN  94          HG2       GLN  94  23.009  -0.485  -6.199
  710   2HG   GLN  94          HG3       GLN  94  22.603  -0.695  -4.501
  711   1HE2  GLN  94          HE22      GLN  94  21.256   0.916  -3.943
  712   2HE2  GLN  94          HE21      GLN  94  21.519   2.618  -4.204
  713    H    PHE  95           H        PHE  95  22.838  -3.144  -4.473
  714    HA   PHE  95           HA       PHE  95  22.914  -3.310  -1.495
  715   1HB   PHE  95          HB2       PHE  95  20.754  -3.990  -3.506
  716   2HB   PHE  95          HB3       PHE  95  20.568  -3.967  -1.752
  717    HD1  PHE  95           HD1      PHE  95  19.086  -2.438  -4.075
  718    HD2  PHE  95           HD2      PHE  95  22.086  -1.283  -1.205
  719    HE1  PHE  95           HE1      PHE  95  18.208  -0.107  -4.064
  720    HE2  PHE  95           HE2      PHE  95  21.281   1.001  -1.262
  721    HZ   PHE  95           HZ       PHE  95  19.245   1.593  -2.577
  722    H    GLY  96           H        GLY  96  23.885  -5.192  -4.116
  723   1HA   GLY  96          HA2       GLY  96  24.221  -7.524  -4.356
  724   2HA   GLY  96          HA3       GLY  96  23.350  -7.821  -2.842
  725    H    ARG  97           H        ARG  97  22.389  -9.310  -4.580
  726    HA   ARG  97           HA       ARG  97  20.858  -8.460  -6.725
  727   1HB   ARG  97          HB2       ARG  97  22.034 -10.688  -6.203
  728   2HB   ARG  97          HB3       ARG  97  20.561 -11.159  -5.361
  729   1HG   ARG  97          HG2       ARG  97  19.279 -10.855  -7.488
  730   2HG   ARG  97          HG3       ARG  97  20.753 -10.322  -8.305
  731   1HD   ARG  97          HD2       ARG  97  20.349 -13.053  -7.014
  732   2HD   ARG  97          HD3       ARG  97  20.113 -12.704  -8.735
  733    HE   ARG  97           HE       ARG  97  22.685 -11.818  -8.177
  734   1HH1  ARG  97          HH21      ARG  97  20.986 -14.931  -8.032
  735   2HH1  ARG  97          HH22      ARG  97  22.397 -15.879  -8.317
  736   1HH2  ARG  97          HH11      ARG  97  24.574 -13.079  -8.547
  737   2HH2  ARG  97          HH12      ARG  97  24.480 -14.796  -8.619
  738    H    TYR  98           H        TYR  98  19.770  -6.945  -4.715
  739    HA   TYR  98           HA       TYR  98  17.126  -7.740  -3.904
  740   1HB   TYR  98          HB2       TYR  98  18.621  -5.123  -4.166
  741   2HB   TYR  98          HB3       TYR  98  16.894  -5.105  -3.892
  742    HD1  TYR  98           HD1      TYR  98  20.027  -6.626  -2.437
  743    HD2  TYR  98           HD2      TYR  98  16.007  -5.222  -1.743
  744    HE1  TYR  98           HE1      TYR  98  20.340  -6.949  -0.008
  745    HE2  TYR  98           HE2      TYR  98  16.309  -5.546   0.681
  746    HH   TYR  98           HH       TYR  98  17.761  -6.218   2.389
  747    H    ARG  99           H        ARG  99  18.182  -7.466  -7.076
  748    HA   ARG  99           HA       ARG  99  16.198  -5.962  -8.334
  749   1HB   ARG  99          HB2       ARG  99  16.651  -7.253 -10.377
  750   2HB   ARG  99          HB3       ARG  99  18.067  -6.584  -9.603
  751   1HG   ARG  99          HG2       ARG  99  18.659  -8.782  -8.671
  752   2HG   ARG  99          HG3       ARG  99  17.195  -9.506  -9.357
  753   1HD   ARG  99          HD2       ARG  99  19.418  -8.175 -10.968
  754   2HD   ARG  99          HD3       ARG  99  19.298  -9.919 -10.681
  755    HE   ARG  99           HE       ARG  99  16.874  -9.426 -11.747
  756   1HH1  ARG  99          HH21      ARG  99  20.132  -8.579 -12.880
  757   2HH1  ARG  99          HH22      ARG  99  19.711  -8.609 -14.551
  758   1HH2  ARG  99          HH11      ARG  99  16.323  -9.504 -13.973
  759   2HH2  ARG  99          HH12      ARG  99  17.498  -9.158 -15.182
  760    H    ASP 100           H        ASP 100  15.610  -8.891  -6.634
  761    HA   ASP 100           HA       ASP 100  13.335  -9.905  -7.936
  762   1HB   ASP 100          HB2       ASP 100  14.355 -10.940  -5.971
  763   2HB   ASP 100          HB3       ASP 100  13.896  -9.558  -4.971
  764    H    LYS 101           H        LYS 101  13.649  -6.872  -6.010
  765    HA   LYS 101           HA       LYS 101  10.731  -6.430  -6.246
  766   1HB   LYS 101          HB2       LYS 101  12.804  -4.689  -4.862
  767   2HB   LYS 101          HB3       LYS 101  11.043  -4.530  -4.788
  768   1HG   LYS 101          HG2       LYS 101  11.056  -6.958  -3.857
  769   2HG   LYS 101          HG3       LYS 101  12.784  -6.685  -3.580
  770   1HD   LYS 101          HD2       LYS 101  10.427  -5.174  -2.373
  771   2HD   LYS 101          HD3       LYS 101  11.573  -6.233  -1.537
  772   1HE   LYS 101          HE2       LYS 101  13.414  -4.600  -2.154
  773   2HE   LYS 101          HE3       LYS 101  12.172  -3.525  -2.809
  774   1HZ   LYS 101          HZ1       LYS 101  12.617  -2.811  -0.664
  775   2HZ   LYS 101          HZ2       LYS 101  11.183  -3.530  -0.513
  776   3HZ   LYS 101          HZ3       LYS 101  12.576  -4.299   0.016
  777    H    VAL 102           H        VAL 102  13.219  -5.966  -8.388
  778    HA   VAL 102           HA       VAL 102  12.442  -3.201  -9.070
  779    HB   VAL 102           HB       VAL 102  14.882  -4.726 -10.023
  780   1HG1  VAL 102          HG11      VAL 102  14.319  -2.865 -11.502
  781   2HG1  VAL 102          HG12      VAL 102  14.099  -1.773 -10.121
  782   3HG1  VAL 102          HG13      VAL 102  15.711  -2.381 -10.531
  783   1HG2  VAL 102          HG21      VAL 102  14.947  -2.584  -7.867
  784   2HG2  VAL 102          HG22      VAL 102  15.003  -4.316  -7.502
  785   3HG2  VAL 102          HG23      VAL 102  16.272  -3.580  -8.499
  786    H    PHE 103           H        PHE 103  11.630  -2.777 -11.142
  787    HA   PHE 103           HA       PHE 103  11.731  -4.901 -13.192
  788   1HB   PHE 103          HB2       PHE 103   9.260  -3.272 -12.469
  789   2HB   PHE 103          HB3       PHE 103   9.432  -4.301 -13.887
  790    HD1  PHE 103           HD1      PHE 103   9.081  -6.684 -13.771
  791    HD2  PHE 103           HD2      PHE 103   9.225  -4.327 -10.160
  792    HE1  PHE 103           HE1      PHE 103   8.214  -8.612 -12.472
  793    HE2  PHE 103           HE2      PHE 103   8.361  -6.260  -8.865
  794    HZ   PHE 103           HZ       PHE 103   7.854  -8.407 -10.019
  795    H    THR 104           H        THR 104  11.866  -3.976 -15.326
  796    HA   THR 104           HA       THR 104  12.965  -1.302 -15.321
  797    HB   THR 104           HB       THR 104  12.481  -2.473 -17.971
  798    HG1  THR 104           HG1      THR 104  13.720  -4.274 -17.765
  799   1HG2  THR 104          HG21      THR 104  14.183  -0.740 -17.520
  800   2HG2  THR 104          HG22      THR 104  15.032  -1.856 -16.423
  801   3HG2  THR 104          HG23      THR 104  14.932  -2.213 -18.164
  802    H    LEU 105           H        LEU 105  12.099   0.502 -16.539
  803    HA   LEU 105           HA       LEU 105   9.426   0.916 -16.032
  804   1HB   LEU 105          HB2       LEU 105  11.006   2.766 -16.317
  805   2HB   LEU 105          HB3       LEU 105  11.048   2.460 -18.064
  806    HG   LEU 105           HG       LEU 105   8.607   2.935 -18.180
  807   1HD1  LEU 105          HD11      LEU 105   8.916   3.616 -15.215
  808   2HD1  LEU 105          HD12      LEU 105   7.542   4.138 -16.192
  809   3HD1  LEU 105          HD13      LEU 105   7.802   2.417 -15.929
  810   1HD2  LEU 105          HD21      LEU 105   9.882   5.292 -16.813
  811   2HD2  LEU 105          HD22      LEU 105  10.341   4.774 -18.457
  812   3HD2  LEU 105          HD23      LEU 105   8.676   5.271 -18.078
  813    H    LYS 106           H        LYS 106  10.682  -0.043 -19.292
  814    HA   LYS 106           HA       LYS 106   7.905  -0.342 -20.205
  815   1HB   LYS 106          HB2       LYS 106  10.552  -1.251 -21.380
  816   2HB   LYS 106          HB3       LYS 106   9.009  -1.641 -22.113
  817   1HG   LYS 106          HG2       LYS 106   9.833   1.238 -21.547
  818   2HG   LYS 106          HG3       LYS 106  10.209   0.396 -23.057
  819   1HD   LYS 106          HD2       LYS 106   7.841   0.046 -23.541
  820   2HD   LYS 106          HD3       LYS 106   7.373   0.730 -21.987
  821   1HE   LYS 106          HE2       LYS 106   6.978   2.349 -23.705
  822   2HE   LYS 106          HE3       LYS 106   8.246   2.928 -22.623
  823   1HZ   LYS 106          HZ1       LYS 106   8.662   3.244 -25.059
  824   2HZ   LYS 106          HZ2       LYS 106   9.879   2.493 -24.282
  825   3HZ   LYS 106          HZ3       LYS 106   8.831   1.636 -25.231
  826    H    GLU 107           H        GLU 107  10.447  -2.621 -19.075
  827    HA   GLU 107           HA       GLU 107   9.217  -4.988 -19.606
  828   1HB   GLU 107          HB2       GLU 107  11.473  -4.811 -18.687
  829   2HB   GLU 107          HB3       GLU 107  10.828  -4.242 -17.152
  830   1HG   GLU 107          HG2       GLU 107  11.546  -6.555 -16.989
  831   2HG   GLU 107          HG3       GLU 107   9.835  -6.382 -16.654
  832    H    TYR 108           H        TYR 108   8.612  -3.009 -16.682
  833    HA   TYR 108           HA       TYR 108   6.977  -4.795 -15.284
  834   1HB   TYR 108          HB2       TYR 108   7.899  -2.666 -14.392
  835   2HB   TYR 108          HB3       TYR 108   6.840  -1.758 -15.450
  836    HD1  TYR 108           HD1      TYR 108   4.693  -1.124 -14.706
  837    HD2  TYR 108           HD2      TYR 108   6.748  -4.326 -12.680
  838    HE1  TYR 108           HE1      TYR 108   2.804  -1.341 -13.119
  839    HE2  TYR 108           HE2      TYR 108   4.909  -4.468 -11.035
  840    HH   TYR 108           HH       TYR 108   2.751  -3.776 -10.528
  841    H    VAL 109           H        VAL 109   6.202  -2.853 -18.113
  842    HA   VAL 109           HA       VAL 109   3.288  -3.328 -17.761
  843    HB   VAL 109           HB       VAL 109   4.734  -1.250 -19.459
  844   1HG1  VAL 109          HG11      VAL 109   1.869  -1.476 -18.456
  845   2HG1  VAL 109          HG12      VAL 109   2.531  -0.071 -19.324
  846   3HG1  VAL 109          HG13      VAL 109   2.403  -1.632 -20.148
  847   1HG2  VAL 109          HG21      VAL 109   3.653  -1.036 -16.633
  848   2HG2  VAL 109          HG22      VAL 109   5.348  -0.787 -17.144
  849   3HG2  VAL 109          HG23      VAL 109   4.109   0.351 -17.636
  850    H    THR 110           H        THR 110   5.843  -3.248 -20.374
  851    HA   THR 110           HA       THR 110   3.951  -4.348 -22.303
  852    HB   THR 110           HB       THR 110   5.850  -4.038 -23.847
  853    HG1  THR 110           HG1      THR 110   7.810  -3.334 -23.058
  854   1HG2  THR 110          HG21      THR 110   6.063  -1.632 -23.734
  855   2HG2  THR 110          HG22      THR 110   4.425  -2.038 -23.200
  856   3HG2  THR 110          HG23      THR 110   5.665  -1.599 -22.004
  857    H    GLY 111           H        GLY 111   6.251  -5.602 -20.046
  858   1HA   GLY 111          HA2       GLY 111   7.006  -7.739 -19.655
  859   2HA   GLY 111          HA3       GLY 111   6.062  -8.342 -21.023
  860    H    SER 112           H        SER 112   8.209  -5.599 -21.687
  861    HA   SER 112           HA       SER 112  10.430  -7.363 -22.510
  862   1HB   SER 112          HB2       SER 112   9.170  -5.216 -24.270
  863   2HB   SER 112          HB3       SER 112  10.599  -6.189 -24.656
  864    HG   SER 112           HG       SER 112   8.684  -6.993 -25.639
  865    H    HIS 113           H        HIS 113  12.439  -6.412 -22.161
  866    HA   HIS 113           HA       HIS 113  12.599  -4.128 -20.466
  867   1HB   HIS 113          HB2       HIS 113  14.679  -5.684 -22.042
  868   2HB   HIS 113          HB3       HIS 113  15.087  -4.262 -21.092
  869    HD1  HIS 113           HD1      HIS 113  12.601  -6.905 -19.684
  870    HD2  HIS 113           HD2      HIS 113  16.562  -5.503 -19.306
  871    HE1  HIS 113           HE1      HIS 113  13.566  -8.012 -17.621
  872    H    GLY 114           H        GLY 114  13.201  -1.996 -20.871
  873   1HA   GLY 114          HA2       GLY 114  14.109  -0.744 -23.139
  874   2HA   GLY 114          HA3       GLY 114  12.358  -0.907 -23.387
  875    H    ASP 115           H        ASP 115  12.894   1.583 -23.276
  876    HA   ASP 115           HA       ASP 115  12.206   2.562 -20.593
  877   1HB   ASP 115          HB2       ASP 115  14.716   2.743 -20.956
  878   2HB   ASP 115          HB3       ASP 115  14.382   3.783 -22.334
  879    H    VAL 116           H        VAL 116  11.573   4.963 -20.850
  880    HA   VAL 116           HA       VAL 116   9.838   5.344 -23.241
  881    HB   VAL 116           HB       VAL 116  10.023   6.692 -20.512
  882   1HG1  VAL 116          HG11      VAL 116   9.199   8.443 -21.968
  883   2HG1  VAL 116          HG12      VAL 116   8.061   7.316 -22.758
  884   3HG1  VAL 116          HG13      VAL 116   7.843   7.799 -21.067
  885   1HG2  VAL 116          HG21      VAL 116   7.799   5.663 -20.166
  886   2HG2  VAL 116          HG22      VAL 116   7.881   4.917 -21.768
  887   3HG2  VAL 116          HG23      VAL 116   9.015   4.426 -20.486
  888    H    LEU 117           H        LEU 117   9.874   7.835 -23.920
  889    HA   LEU 117           HA       LEU 117  12.302   8.647 -25.095
  890   1HB   LEU 117          HB2       LEU 117   9.831   9.368 -25.466
  891   2HB   LEU 117          HB3       LEU 117  10.051  10.447 -24.100
  892    HG   LEU 117           HG       LEU 117  11.497  10.531 -26.787
  893   1HD1  LEU 117          HD11      LEU 117  10.244  12.609 -27.113
  894   2HD1  LEU 117          HD12      LEU 117   9.136  11.269 -26.793
  895   3HD1  LEU 117          HD13      LEU 117   9.502  12.440 -25.507
  896   1HD2  LEU 117          HD21      LEU 117  12.371  12.751 -26.056
  897   2HD2  LEU 117          HD22      LEU 117  11.890  12.354 -24.391
  898   3HD2  LEU 117          HD23      LEU 117  13.120  11.389 -25.257
  899    H    ASP 118           H        ASP 118  14.097   9.598 -24.139
  900    HA   ASP 118           HA       ASP 118  13.992  10.489 -21.306
  901   1HB   ASP 118          HB2       ASP 118  15.789   8.998 -21.652
  902   2HB   ASP 118          HB3       ASP 118  16.282   9.810 -23.144
  903    HA   PRO 119           HA       PRO 119  13.755  14.410 -23.575
  904   1HB   PRO 119          HB2       PRO 119  12.416  15.939 -21.781
  905   2HB   PRO 119          HB3       PRO 119  11.612  14.599 -22.625
  906   1HG   PRO 119          HG2       PRO 119  12.890  14.549 -19.873
  907   2HG   PRO 119          HG3       PRO 119  11.228  14.036 -20.312
  908   1HD   PRO 119          HD2       PRO 119  13.295  12.250 -20.146
  909   2HD   PRO 119          HD3       PRO 119  12.023  12.098 -21.397
  910    H    PHE 120           H        PHE 120  15.799  13.639 -20.940
  911    HA   PHE 120           HA       PHE 120  16.233  15.995 -19.631
  912   1HB   PHE 120          HB2       PHE 120  17.188  13.850 -18.994
  913   2HB   PHE 120          HB3       PHE 120  18.345  13.944 -20.312
  914    HD1  PHE 120           HD1      PHE 120  17.339  15.458 -17.020
  915    HD2  PHE 120           HD2      PHE 120  20.330  15.336 -20.141
  916    HE1  PHE 120           HE1      PHE 120  18.904  16.691 -15.572
  917    HE2  PHE 120           HE2      PHE 120  21.890  16.589 -18.676
  918    HZ   PHE 120           HZ       PHE 120  21.183  17.269 -16.389
  919    H    GLY 121           H        GLY 121  16.591  17.984 -20.358
  920   1HA   GLY 121          HA2       GLY 121  17.993  19.695 -21.065
  921   2HA   GLY 121          HA3       GLY 121  19.002  18.545 -21.951
  922    H    GLY 122           H        GLY 122  15.766  17.904 -22.759
  923   1HA   GLY 122          HA2       GLY 122  15.941  19.148 -25.390
  924   2HA   GLY 122          HA3       GLY 122  14.621  18.179 -24.721
  925    H    SER 123           H        SER 123  13.672  20.209 -26.072
  926    HA   SER 123           HA       SER 123  13.290  22.626 -24.477
  927   1HB   SER 123          HB2       SER 123  11.627  23.081 -26.346
  928   2HB   SER 123          HB3       SER 123  13.314  22.901 -26.848
  929    HG   SER 123           HG       SER 123  11.936  21.721 -28.203
  930    H    ILE 124           H        ILE 124  10.927  23.181 -24.001
  931    HA   ILE 124           HA       ILE 124   9.718  21.380 -22.248
  932    HB   ILE 124           HB       ILE 124   9.265  23.713 -22.130
  933   1HG1  ILE 124          HG12      ILE 124   6.833  23.866 -22.000
  934   2HG1  ILE 124          HG13      ILE 124   6.640  22.424 -22.990
  935   1HG2  ILE 124          HG21      ILE 124   7.968  24.995 -23.776
  936   2HG2  ILE 124          HG22      ILE 124   9.465  24.404 -24.486
  937   3HG2  ILE 124          HG23      ILE 124   7.922  23.600 -24.863
  938   1HD1  ILE 124          HD11      ILE 124   6.282  22.009 -20.581
  939   2HD1  ILE 124          HD12      ILE 124   7.611  21.033 -21.208
  940   3HD1  ILE 124          HD13      ILE 124   7.961  22.487 -20.241
  941    H    ASP 125           H        ASP 125   9.308  21.683 -25.747
  942    HA   ASP 125           HA       ASP 125   6.973  20.105 -25.965
  943   1HB   ASP 125          HB2       ASP 125   7.850  21.492 -27.807
  944   2HB   ASP 125          HB3       ASP 125   9.195  20.357 -28.009
  945    H    ILE 126           H        ILE 126  10.374  19.155 -25.605
  946    HA   ILE 126           HA       ILE 126   9.886  16.384 -26.353
  947    HB   ILE 126           HB       ILE 126  12.233  17.451 -24.760
  948   1HG1  ILE 126          HG12      ILE 126  12.155  18.804 -26.770
  949   2HG1  ILE 126          HG13      ILE 126  13.476  17.663 -26.879
  950   1HG2  ILE 126          HG21      ILE 126  13.415  15.513 -25.749
  951   2HG2  ILE 126          HG22      ILE 126  11.996  14.994 -24.827
  952   3HG2  ILE 126          HG23      ILE 126  11.921  15.020 -26.581
  953   1HD1  ILE 126          HD11      ILE 126  10.788  17.377 -28.303
  954   2HD1  ILE 126          HD12      ILE 126  12.313  17.905 -29.030
  955   3HD1  ILE 126          HD13      ILE 126  12.155  16.246 -28.437
  956    H    TYR 127           H        TYR 127   9.980  18.248 -23.322
  957    HA   TYR 127           HA       TYR 127   9.583  15.930 -21.644
  958   1HB   TYR 127          HB2       TYR 127   9.183  18.893 -21.128
  959   2HB   TYR 127          HB3       TYR 127   8.823  17.655 -19.937
  960    HD1  TYR 127           HD1      TYR 127  11.590  19.091 -21.972
  961    HD2  TYR 127           HD2      TYR 127  10.550  16.624 -18.627
  962    HE1  TYR 127           HE1      TYR 127  13.961  19.107 -21.244
  963    HE2  TYR 127           HE2      TYR 127  12.907  16.614 -17.882
  964    HH   TYR 127           HH       TYR 127  15.037  17.464 -18.238
  965    H    LYS 128           H        LYS 128   7.451  18.213 -23.316
  966    HA   LYS 128           HA       LYS 128   4.999  17.175 -22.283
  967   1HB   LYS 128          HB2       LYS 128   4.879  19.298 -23.142
  968   2HB   LYS 128          HB3       LYS 128   5.836  18.940 -24.552
  969   1HG   LYS 128          HG2       LYS 128   2.987  17.930 -24.247
  970   2HG   LYS 128          HG3       LYS 128   3.414  19.509 -24.909
  971   1HD   LYS 128          HD2       LYS 128   5.023  18.068 -26.491
  972   2HD   LYS 128          HD3       LYS 128   3.892  16.777 -26.081
  973   1HE   LYS 128          HE2       LYS 128   3.062  17.650 -28.075
  974   2HE   LYS 128          HE3       LYS 128   2.006  18.332 -26.834
  975   1HZ   LYS 128          HZ1       LYS 128   3.273  20.401 -27.012
  976   2HZ   LYS 128          HZ2       LYS 128   4.318  19.728 -28.092
  977   3HZ   LYS 128          HZ3       LYS 128   2.746  19.967 -28.493
  978    H    GLN 129           H        GLN 129   6.923  16.231 -25.158
  979    HA   GLN 129           HA       GLN 129   5.073  14.239 -26.029
  980   1HB   GLN 129          HB2       GLN 129   8.098  14.496 -26.347
  981   2HB   GLN 129          HB3       GLN 129   7.183  13.146 -27.021
  982   1HG   GLN 129          HG2       GLN 129   5.838  14.675 -28.387
  983   2HG   GLN 129          HG3       GLN 129   6.684  16.065 -27.713
  984   1HE2  GLN 129          HE22      GLN 129   8.097  16.888 -29.302
  985   2HE2  GLN 129          HE21      GLN 129   9.120  15.869 -30.293
  986    H    THR 130           H        THR 130   7.779  14.144 -23.746
  987    HA   THR 130           HA       THR 130   7.617  11.374 -23.185
  988    HB   THR 130           HB       THR 130   8.602  13.648 -21.398
  989    HG1  THR 130           HG1      THR 130   9.688  13.678 -23.341
  990   1HG2  THR 130          HG21      THR 130   9.314  10.688 -21.409
  991   2HG2  THR 130          HG22      THR 130  10.054  11.941 -20.389
  992   3HG2  THR 130          HG23      THR 130   8.359  11.514 -20.156
  993    H    ARG 131           H        ARG 131   6.047  14.174 -21.577
  994    HA   ARG 131           HA       ARG 131   5.048  12.573 -19.468
  995   1HB   ARG 131          HB2       ARG 131   3.944  14.422 -18.634
  996   2HB   ARG 131          HB3       ARG 131   5.203  15.187 -19.599
  997   1HG   ARG 131          HG2       ARG 131   3.458  15.319 -21.475
  998   2HG   ARG 131          HG3       ARG 131   2.252  14.813 -20.299
  999   1HD   ARG 131          HD2       ARG 131   2.655  16.857 -18.990
 1000   2HD   ARG 131          HD3       ARG 131   3.972  17.300 -20.095
 1001    HE   ARG 131           HE       ARG 131   1.558  16.820 -21.566
 1002   1HH1  ARG 131          HH11      ARG 131   2.841  19.405 -19.422
 1003   2HH1  ARG 131          HH12      ARG 131   2.430  20.634 -20.609
 1004   1HH2  ARG 131          HH21      ARG 131   0.803  18.628 -22.861
 1005   2HH2  ARG 131          HH22      ARG 131   1.263  20.241 -22.350
 1006    H    ASP 132           H        ASP 132   3.754  13.220 -22.697
 1007    HA   ASP 132           HA       ASP 132   1.133  12.221 -22.136
 1008   1HB   ASP 132          HB2       ASP 132   1.576  13.649 -24.074
 1009   2HB   ASP 132          HB3       ASP 132   2.673  12.443 -24.751
 1010    H    GLU 133           H        GLU 133   4.118  10.695 -23.352
 1011    HA   GLU 133           HA       GLU 133   2.877   8.125 -23.781
 1012   1HB   GLU 133          HB2       GLU 133   4.994   8.949 -24.895
 1013   2HB   GLU 133          HB3       GLU 133   5.810   8.883 -23.338
 1014   1HG   GLU 133          HG2       GLU 133   6.429   6.937 -24.578
 1015   2HG   GLU 133          HG3       GLU 133   5.403   6.410 -23.254
 1016    H    LEU 134           H        LEU 134   4.720   9.653 -21.205
 1017    HA   LEU 134           HA       LEU 134   4.985   7.446 -19.486
 1018   1HB   LEU 134          HB2       LEU 134   6.238   9.672 -19.517
 1019   2HB   LEU 134          HB3       LEU 134   4.826  10.394 -18.745
 1020    HG   LEU 134           HG       LEU 134   5.218   8.862 -16.776
 1021   1HD1  LEU 134          HD11      LEU 134   6.410   7.010 -17.827
 1022   2HD1  LEU 134          HD12      LEU 134   7.685   8.110 -18.394
 1023   3HD1  LEU 134          HD13      LEU 134   7.494   7.776 -16.659
 1024   1HD2  LEU 134          HD21      LEU 134   6.125  11.167 -16.806
 1025   2HD2  LEU 134          HD22      LEU 134   7.289  10.080 -16.037
 1026   3HD2  LEU 134          HD23      LEU 134   7.544  10.622 -17.705
 1027    H    GLU 135           H        GLU 135   2.401   9.928 -19.745
 1028    HA   GLU 135           HA       GLU 135   0.998   9.008 -17.453
 1029   1HB   GLU 135          HB2       GLU 135   0.644  11.232 -18.694
 1030   2HB   GLU 135          HB3       GLU 135  -0.293  10.308 -19.881
 1031   1HG   GLU 135          HG2       GLU 135  -1.669   9.477 -17.823
 1032   2HG   GLU 135          HG3       GLU 135  -0.846  10.749 -16.918
 1033    H    GLU 136           H        GLU 136   0.834   8.019 -20.888
 1034    HA   GLU 136           HA       GLU 136  -1.460   6.358 -20.489
 1035   1HB   GLU 136          HB2       GLU 136  -0.683   7.220 -22.704
 1036   2HB   GLU 136          HB3       GLU 136   0.690   6.103 -22.638
 1037   1HG   GLU 136          HG2       GLU 136  -0.862   4.178 -22.567
 1038   2HG   GLU 136          HG3       GLU 136  -2.247   5.270 -22.518
 1039    H    LEU 137           H        LEU 137   2.032   5.775 -20.329
 1040    HA   LEU 137           HA       LEU 137   1.939   2.983 -19.792
 1041   1HB   LEU 137          HB2       LEU 137   3.967   4.433 -20.422
 1042   2HB   LEU 137          HB3       LEU 137   3.938   5.035 -18.766
 1043    HG   LEU 137           HG       LEU 137   3.973   2.482 -18.108
 1044   1HD1  LEU 137          HD11      LEU 137   5.193   2.406 -20.918
 1045   2HD1  LEU 137          HD12      LEU 137   5.237   1.085 -19.738
 1046   3HD1  LEU 137          HD13      LEU 137   3.690   1.603 -20.437
 1047   1HD2  LEU 137          HD21      LEU 137   5.752   4.099 -17.632
 1048   2HD2  LEU 137          HD22      LEU 137   6.379   2.497 -18.049
 1049   3HD2  LEU 137          HD23      LEU 137   6.447   3.818 -19.246
 1050    H    LEU 138           H        LEU 138   1.903   5.833 -17.631
 1051    HA   LEU 138           HA       LEU 138   1.906   4.248 -15.249
 1052   1HB   LEU 138          HB2       LEU 138   1.627   7.160 -15.881
 1053   2HB   LEU 138          HB3       LEU 138   1.076   6.599 -14.317
 1054    HG   LEU 138           HG       LEU 138   3.168   5.801 -13.641
 1055   1HD1  LEU 138          HD11      LEU 138   5.244   5.789 -14.896
 1056   2HD1  LEU 138          HD12      LEU 138   4.082   4.731 -15.688
 1057   3HD1  LEU 138          HD13      LEU 138   4.417   6.336 -16.358
 1058   1HD2  LEU 138          HD21      LEU 138   3.607   8.409 -15.112
 1059   2HD2  LEU 138          HD22      LEU 138   2.843   8.204 -13.517
 1060   3HD2  LEU 138          HD23      LEU 138   4.548   7.792 -13.731
 1061    H    ARG 139           H        ARG 139  -0.719   5.344 -17.326
 1062    HA   ARG 139           HA       ARG 139  -2.786   4.664 -15.433
 1063   1HB   ARG 139          HB2       ARG 139  -2.751   4.854 -18.467
 1064   2HB   ARG 139          HB3       ARG 139  -4.193   4.374 -17.563
 1065   1HG   ARG 139          HG2       ARG 139  -4.276   6.478 -16.373
 1066   2HG   ARG 139          HG3       ARG 139  -2.713   6.984 -17.017
 1067   1HD   ARG 139          HD2       ARG 139  -3.643   6.966 -19.318
 1068   2HD   ARG 139          HD3       ARG 139  -5.226   6.514 -18.679
 1069    HE   ARG 139           HE       ARG 139  -3.882   9.139 -18.566
 1070   1HH1  ARG 139          HH21      ARG 139  -6.636   7.252 -17.304
 1071   2HH1  ARG 139          HH22      ARG 139  -7.538   8.659 -16.876
 1072   1HH2  ARG 139          HH11      ARG 139  -4.978  10.877 -18.025
 1073   2HH2  ARG 139          HH12      ARG 139  -6.559  10.837 -17.267
 1074    H    GLN 140           H        GLN 140  -0.896   2.755 -17.800
 1075    HA   GLN 140           HA       GLN 140  -2.293   0.320 -17.245
 1076   1HB   GLN 140          HB2       GLN 140   0.592   0.605 -18.106
 1077   2HB   GLN 140          HB3       GLN 140  -0.377  -0.857 -18.145
 1078   1HG   GLN 140          HG2       GLN 140  -1.367   1.509 -19.733
 1079   2HG   GLN 140          HG3       GLN 140   0.050   0.640 -20.310
 1080   1HE2  GLN 140          HE22      GLN 140  -0.148  -1.768 -20.653
 1081   2HE2  GLN 140          HE21      GLN 140  -1.707  -2.396 -21.112
 1082    H    LEU 141           H        LEU 141   0.557   1.870 -15.721
 1083    HA   LEU 141           HA       LEU 141   1.117  -0.166 -13.841
 1084   1HB   LEU 141          HB2       LEU 141   1.387   2.849 -13.622
 1085   2HB   LEU 141          HB3       LEU 141   1.576   1.866 -12.198
 1086    HG   LEU 141           HG       LEU 141   3.480   0.703 -13.131
 1087   1HD1  LEU 141          HD11      LEU 141   4.565   1.367 -15.178
 1088   2HD1  LEU 141          HD12      LEU 141   2.909   0.846 -15.548
 1089   3HD1  LEU 141          HD13      LEU 141   3.310   2.569 -15.515
 1090   1HD2  LEU 141          HD21      LEU 141   3.632   3.723 -13.221
 1091   2HD2  LEU 141          HD22      LEU 141   3.872   2.678 -11.810
 1092   3HD2  LEU 141          HD23      LEU 141   5.029   2.644 -13.152
 1093    H    ALA 142           H        ALA 142  -1.305   2.431 -13.667
 1094    HA   ALA 142           HA       ALA 142  -2.233   1.747 -11.072
 1095   1HB   ALA 142          HB1       ALA 142  -4.147   3.167 -11.568
 1096   2HB   ALA 142          HB2       ALA 142  -2.653   3.938 -12.127
 1097   3HB   ALA 142          HB3       ALA 142  -3.755   3.171 -13.297
 1098    H    LYS 143           H        LYS 143  -3.233   0.611 -14.302
 1099    HA   LYS 143           HA       LYS 143  -5.462  -0.954 -13.428
 1100   1HB   LYS 143          HB2       LYS 143  -3.519  -1.541 -15.702
 1101   2HB   LYS 143          HB3       LYS 143  -5.021  -2.404 -15.416
 1102   1HG   LYS 143          HG2       LYS 143  -6.352  -0.428 -15.865
 1103   2HG   LYS 143          HG3       LYS 143  -4.906   0.584 -15.975
 1104   1HD   LYS 143          HD2       LYS 143  -4.101  -0.814 -17.903
 1105   2HD   LYS 143          HD3       LYS 143  -5.624  -1.723 -17.832
 1106   1HE   LYS 143          HE2       LYS 143  -6.894   0.383 -18.232
 1107   2HE   LYS 143          HE3       LYS 143  -5.373   1.285 -18.288
 1108   1HZ   LYS 143          HZ1       LYS 143  -6.193  -0.827 -20.195
 1109   2HZ   LYS 143          HZ2       LYS 143  -6.107   0.770 -20.507
 1110   3HZ   LYS 143          HZ3       LYS 143  -4.733  -0.078 -20.213
 1111    H    GLN 144           H        GLN 144  -2.003  -1.765 -13.736
 1112    HA   GLN 144           HA       GLN 144  -2.279  -4.481 -12.939
 1113   1HB   GLN 144          HB2       GLN 144   0.097  -2.573 -12.835
 1114   2HB   GLN 144          HB3       GLN 144   0.211  -4.298 -12.470
 1115   1HG   GLN 144          HG2       GLN 144  -0.545  -4.900 -14.706
 1116   2HG   GLN 144          HG3       GLN 144  -0.876  -3.221 -15.115
 1117   1HE2  GLN 144          HE22      GLN 144   1.802  -5.464 -14.228
 1118   2HE2  GLN 144          HE21      GLN 144   3.029  -4.571 -15.112
 1119    H    LEU 145           H        LEU 145  -1.424  -1.567 -11.010
 1120    HA   LEU 145           HA       LEU 145  -1.140  -3.022  -8.568
 1121   1HB   LEU 145          HB2       LEU 145  -1.655  -0.074  -9.125
 1122   2HB   LEU 145          HB3       LEU 145  -1.310  -0.719  -7.518
 1123    HG   LEU 145           HG       LEU 145   0.554  -0.965  -9.927
 1124   1HD1  LEU 145          HD11      LEU 145   0.336   1.343  -9.118
 1125   2HD1  LEU 145          HD12      LEU 145   0.748   0.818  -7.470
 1126   3HD1  LEU 145          HD13      LEU 145   1.937   0.687  -8.794
 1127   1HD2  LEU 145          HD21      LEU 145   2.243  -1.619  -8.187
 1128   2HD2  LEU 145          HD22      LEU 145   0.890  -1.807  -7.036
 1129   3HD2  LEU 145          HD23      LEU 145   1.000  -2.815  -8.507
 1130    H    LYS 146           H        LYS 146  -4.020  -1.374  -9.990
 1131    HA   LYS 146           HA       LYS 146  -5.728  -1.896  -7.738
 1132   1HB   LYS 146          HB2       LYS 146  -6.187  -1.530 -10.711
 1133   2HB   LYS 146          HB3       LYS 146  -7.524  -1.950  -9.623
 1134   1HG   LYS 146          HG2       LYS 146  -6.951   0.086  -8.248
 1135   2HG   LYS 146          HG3       LYS 146  -5.792   0.533  -9.504
 1136   1HD   LYS 146          HD2       LYS 146  -8.790   0.209  -9.886
 1137   2HD   LYS 146          HD3       LYS 146  -7.910   1.739  -9.764
 1138   1HE   LYS 146          HE2       LYS 146  -6.617   1.153 -11.816
 1139   2HE   LYS 146          HE3       LYS 146  -7.540  -0.352 -11.957
 1140   1HZ   LYS 146          HZ1       LYS 146  -8.478   1.354 -13.365
 1141   2HZ   LYS 146          HZ2       LYS 146  -9.556   1.006 -12.192
 1142   3HZ   LYS 146          HZ3       LYS 146  -8.670   2.389 -12.115
 1143    H    LYS 147           H        LYS 147  -4.821  -3.919 -10.585
 1144    HA   LYS 147           HA       LYS 147  -6.696  -5.977  -9.969
 1145   1HB   LYS 147          HB2       LYS 147  -4.223  -5.863 -11.729
 1146   2HB   LYS 147          HB3       LYS 147  -5.146  -7.354 -11.523
 1147   1HG   LYS 147          HG2       LYS 147  -7.179  -6.322 -12.345
 1148   2HG   LYS 147          HG3       LYS 147  -6.391  -4.744 -12.474
 1149   1HD   LYS 147          HD2       LYS 147  -4.809  -5.657 -14.156
 1150   2HD   LYS 147          HD3       LYS 147  -5.579  -7.257 -14.007
 1151   1HE   LYS 147          HE2       LYS 147  -7.751  -6.243 -14.701
 1152   2HE   LYS 147          HE3       LYS 147  -6.943  -4.685 -14.916
 1153   1HZ   LYS 147          HZ1       LYS 147  -5.573  -5.726 -16.646
 1154   2HZ   LYS 147          HZ2       LYS 147  -6.338  -7.157 -16.442
 1155   3HZ   LYS 147          HZ3       LYS 147  -7.155  -5.870 -17.010
 1156    H    ASP 148           H        ASP 148  -3.164  -5.764  -9.128
 1157    HA   ASP 148           HA       ASP 148  -3.652  -8.104  -7.316
 1158   1HB   ASP 148          HB2       ASP 148  -2.725  -8.676  -9.638
 1159   2HB   ASP 148          HB3       ASP 148  -1.243  -7.855  -9.138
 1160    H    ARG 149           H        ARG 149  -2.864  -5.018  -6.973
 1161    HA   ARG 149           HA       ARG 149  -1.699  -3.795  -5.514
 1162   1HB   ARG 149          HB2       ARG 149  -2.453  -6.026  -4.076
 1163   2HB   ARG 149          HB3       ARG 149  -0.725  -6.026  -3.794
 1164   1HG   ARG 149          HG2       ARG 149  -2.691  -3.775  -3.212
 1165   2HG   ARG 149          HG3       ARG 149  -2.018  -4.893  -2.037
 1166   1HD   ARG 149          HD2       ARG 149  -0.503  -2.744  -3.568
 1167   2HD   ARG 149          HD3       ARG 149  -0.955  -2.696  -1.870
 1168    HE   ARG 149           HE       ARG 149   1.284  -4.043  -3.117
 1169   1HH1  ARG 149          HH21      ARG 149  -0.840  -4.295  -0.285
 1170   2HH1  ARG 149          HH22      ARG 149   0.376  -4.923   0.762
 1171   1HH2  ARG 149          HH11      ARG 149   3.012  -4.653  -1.610
 1172   2HH2  ARG 149          HH12      ARG 149   2.558  -5.239  -0.055
 1173    H    ARG 150           H        ARG 150  -0.129  -5.750  -7.639
 1174    HA   ARG 150           HA       ARG 150   2.443  -4.485  -7.237
 1175   1HB   ARG 150          HB2       ARG 150   2.565  -6.503  -5.757
 1176   2HB   ARG 150          HB3       ARG 150   2.122  -7.527  -7.135
 1177   1HG   ARG 150          HG2       ARG 150   4.176  -6.801  -8.331
 1178   2HG   ARG 150          HG3       ARG 150   4.603  -5.752  -6.977
 1179   1HD   ARG 150          HD2       ARG 150   4.264  -8.782  -6.906
 1180   2HD   ARG 150          HD3       ARG 150   5.824  -7.955  -6.998
 1181    HE   ARG 150           HE       ARG 150   4.257  -8.495  -4.669
 1182   1HH1  ARG 150          HH21      ARG 150   6.521  -6.049  -5.914
 1183   2HH1  ARG 150          HH22      ARG 150   6.892  -5.393  -4.356
 1184   1HH2  ARG 150          HH11      ARG 150   4.818  -7.684  -2.606
 1185   2HH2  ARG 150          HH12      ARG 150   5.850  -6.294  -2.458
  Start of MODEL    4
    1   1H    MET   1           H1       MET   1   1.012   0.171  -0.233
    2   2H    MET   1           H2       MET   1   1.036  -1.474  -0.196
    3   3H    MET   1           H3       MET   1   2.261  -0.611   0.469
    4    HA   MET   1           HA       MET   1   2.991  -1.509  -1.607
    5   1HB   MET   1          HB2       MET   1   0.759  -1.668  -2.673
    6   2HB   MET   1          HB3       MET   1   0.677   0.091  -2.800
    7   1HG   MET   1          HG2       MET   1   1.345  -1.029  -4.911
    8   2HG   MET   1          HG3       MET   1   2.561   0.118  -4.358
    9   1HE   MET   1          HE1       MET   1   3.663  -1.428  -6.484
   10   2HE   MET   1          HE2       MET   1   4.262  -3.086  -6.223
   11   3HE   MET   1          HE3       MET   1   2.522  -2.794  -6.362
   12    H    ASP   2           H        ASP   2   4.867  -0.406  -2.199
   13    HA   ASP   2           HA       ASP   2   4.881   2.535  -1.982
   14   1HB   ASP   2          HB2       ASP   2   5.392   1.443   0.245
   15   2HB   ASP   2          HB3       ASP   2   6.833   0.760  -0.502
   16    H    ILE   3           H        ILE   3   6.003   3.312  -3.726
   17    HA   ILE   3           HA       ILE   3   7.638   1.387  -5.274
   18    HB   ILE   3           HB       ILE   3   5.934   3.619  -6.385
   19   1HG1  ILE   3          HG12      ILE   3   5.121   0.698  -6.120
   20   2HG1  ILE   3          HG13      ILE   3   4.418   2.059  -5.255
   21   1HG2  ILE   3          HG21      ILE   3   7.301   1.253  -7.721
   22   2HG2  ILE   3          HG22      ILE   3   6.200   2.380  -8.545
   23   3HG2  ILE   3          HG23      ILE   3   7.711   2.967  -7.895
   24   1HD1  ILE   3          HD11      ILE   3   3.675   3.042  -7.443
   25   2HD1  ILE   3          HD12      ILE   3   4.161   1.517  -8.222
   26   3HD1  ILE   3          HD13      ILE   3   2.909   1.515  -6.975
   27    H    ILE   4           H        ILE   4   9.623   2.158  -6.159
   28    HA   ILE   4           HA       ILE   4  10.196   5.067  -5.868
   29    HB   ILE   4           HB       ILE   4  12.250   2.833  -5.814
   30   1HG1  ILE   4          HG12      ILE   4  11.646   4.625  -3.444
   31   2HG1  ILE   4          HG13      ILE   4  10.784   3.108  -3.677
   32   1HG2  ILE   4          HG21      ILE   4  13.835   4.681  -5.222
   33   2HG2  ILE   4          HG22      ILE   4  13.116   4.917  -6.801
   34   3HG2  ILE   4          HG23      ILE   4  12.521   5.853  -5.414
   35   1HD1  ILE   4          HD11      ILE   4  12.904   1.850  -3.700
   36   2HD1  ILE   4          HD12      ILE   4  13.812   3.352  -3.456
   37   3HD1  ILE   4          HD13      ILE   4  12.695   2.772  -2.214
   38    H    PHE   5           H        PHE   5  10.202   6.004  -7.835
   39    HA   PHE   5           HA       PHE   5  10.780   4.473 -10.283
   40   1HB   PHE   5          HB2       PHE   5  10.139   7.414  -9.749
   41   2HB   PHE   5          HB3       PHE   5  10.436   6.731 -11.341
   42    HD1  PHE   5           HD1      PHE   5   7.949   7.287  -8.757
   43    HD2  PHE   5           HD2      PHE   5   8.875   4.901 -12.231
   44    HE1  PHE   5           HE1      PHE   5   5.551   6.673  -8.984
   45    HE2  PHE   5           HE2      PHE   5   6.477   4.304 -12.455
   46    HZ   PHE   5           HZ       PHE   5   4.815   5.182 -10.829
   47    H    VAL   6           H        VAL   6  12.873   4.559 -11.247
   48    HA   VAL   6           HA       VAL   6  14.786   6.483 -10.143
   49    HB   VAL   6           HB       VAL   6  14.962   4.791  -8.544
   50   1HG1  VAL   6          HG11      VAL   6  13.863   2.904  -9.684
   51   2HG1  VAL   6          HG12      VAL   6  15.317   2.686 -10.697
   52   3HG1  VAL   6          HG13      VAL   6  15.395   2.442  -8.945
   53   1HG2  VAL   6          HG21      VAL   6  17.116   5.673  -9.310
   54   2HG2  VAL   6          HG22      VAL   6  17.268   4.016  -8.740
   55   3HG2  VAL   6          HG23      VAL   6  17.272   4.340 -10.476
   56    H    CYS   7           H        CYS   7  16.430   7.066 -11.333
   57    HA   CYS   7           HA       CYS   7  17.137   5.626 -13.781
   58   1HB   CYS   7          HB2       CYS   7  17.336   7.740 -15.066
   59   2HB   CYS   7          HB3       CYS   7  15.671   7.367 -14.624
   60    HG   CYS   7           HG       CYS   7  15.383   8.942 -12.686
   61    H    THR   8           H        THR   8  19.305   7.451 -14.532
   62    HA   THR   8           HA       THR   8  21.192   6.866 -12.451
   63    HB   THR   8           HB       THR   8  22.413   8.710 -14.122
   64    HG1  THR   8           HG1      THR   8  21.697   8.339 -16.163
   65   1HG2  THR   8          HG21      THR   8  23.327   6.671 -15.273
   66   2HG2  THR   8          HG22      THR   8  23.372   6.580 -13.505
   67   3HG2  THR   8          HG23      THR   8  22.131   5.688 -14.392
   68    H    GLY   9           H        GLY   9  19.787   9.983 -13.617
   69   1HA   GLY   9          HA2       GLY   9  21.165  11.346 -11.394
   70   2HA   GLY   9          HA3       GLY   9  20.514  12.050 -12.873
   71    H    ASN  10           H        ASN  10  18.199  10.020 -11.501
   72    HA   ASN  10           HA       ASN  10  16.197  10.268 -10.566
   73   1HB   ASN  10          HB2       ASN  10  17.330  11.013  -8.528
   74   2HB   ASN  10          HB3       ASN  10  17.306  12.683  -9.096
   75   1HD2  ASN  10          HD22      ASN  10  15.608  13.871  -8.191
   76   2HD2  ASN  10          HD21      ASN  10  14.108  13.134  -7.640
   77    H    THR  11           H        THR  11  17.302  13.637 -11.317
   78    HA   THR  11           HA       THR  11  14.707  14.608 -11.818
   79    HB   THR  11           HB       THR  11  15.995  16.510 -12.873
   80    HG1  THR  11           HG1      THR  11  18.256  16.355 -12.792
   81   1HG2  THR  11          HG21      THR  11  15.608  16.307 -10.376
   82   2HG2  THR  11          HG22      THR  11  17.208  15.544 -10.244
   83   3HG2  THR  11          HG23      THR  11  17.065  17.217 -10.813
   84    H    CYS  12           H        CYS  12  16.787  12.734 -13.912
   85    HA   CYS  12           HA       CYS  12  16.083  13.653 -16.415
   86   1HB   CYS  12          HB2       CYS  12  16.543  10.724 -15.751
   87   2HB   CYS  12          HB3       CYS  12  16.898  11.558 -17.263
   88    HG   CYS  12           HG       CYS  12  18.697  13.205 -16.252
   89    H    ARG  13           H        ARG  13  14.204  11.433 -14.346
   90    HA   ARG  13           HA       ARG  13  11.829  12.259 -15.685
   91   1HB   ARG  13          HB2       ARG  13  12.880  10.250 -17.183
   92   2HB   ARG  13          HB3       ARG  13  12.055   9.261 -15.977
   93   1HG   ARG  13          HG2       ARG  13   9.945  10.638 -16.471
   94   2HG   ARG  13          HG3       ARG  13  10.839  11.409 -17.783
   95   1HD   ARG  13          HD2       ARG  13  10.152   8.452 -17.516
   96   2HD   ARG  13          HD3       ARG  13   9.393   9.608 -18.598
   97    HE   ARG  13           HE       ARG  13  11.329   9.720 -19.960
   98   1HH1  ARG  13          HH11      ARG  13  11.527   7.076 -17.533
   99   2HH1  ARG  13          HH12      ARG  13  12.499   6.114 -18.605
  100   1HH2  ARG  13          HH21      ARG  13  12.791   8.459 -21.119
  101   2HH2  ARG  13          HH22      ARG  13  13.473   7.004 -20.439
  102    H    SER  14           H        SER  14  13.397  10.326 -13.136
  103    HA   SER  14           HA       SER  14  11.298   8.917 -12.147
  104   1HB   SER  14          HB2       SER  14  13.320  10.366 -10.441
  105   2HB   SER  14          HB3       SER  14  12.447   8.874 -10.059
  106    HG   SER  14           HG       SER  14  14.572   8.535 -10.730
  107    HA   PRO  15           HA       PRO  15   9.560  12.382  -9.447
  108   1HB   PRO  15          HB2       PRO  15  10.025  15.031  -9.865
  109   2HB   PRO  15          HB3       PRO  15  11.063  13.983  -8.850
  110   1HG   PRO  15          HG2       PRO  15  11.504  14.774 -11.743
  111   2HG   PRO  15          HG3       PRO  15  12.676  14.825 -10.386
  112   1HD   PRO  15          HD2       PRO  15  12.588  12.756 -12.132
  113   2HD   PRO  15          HD3       PRO  15  12.934  12.486 -10.396
  114    H    MET  16           H        MET  16   9.829  12.890 -12.966
  115    HA   MET  16           HA       MET  16   7.258  14.166 -13.238
  116   1HB   MET  16          HB2       MET  16   8.759  12.406 -15.233
  117   2HB   MET  16          HB3       MET  16   7.345  13.384 -15.584
  118   1HG   MET  16          HG2       MET  16   8.578  15.433 -15.231
  119   2HG   MET  16          HG3       MET  16   9.973  14.549 -14.609
  120   1HE   MET  16          HE1       MET  16   8.686  14.575 -19.077
  121   2HE   MET  16          HE2       MET  16   7.854  13.480 -17.943
  122   3HE   MET  16          HE3       MET  16   7.732  15.249 -17.740
  123    H    ALA  17           H        ALA  17   8.495  10.822 -13.328
  124    HA   ALA  17           HA       ALA  17   5.973   9.650 -13.874
  125   1HB   ALA  17          HB1       ALA  17   7.066   7.516 -13.306
  126   2HB   ALA  17          HB2       ALA  17   8.187   8.511 -14.262
  127   3HB   ALA  17          HB3       ALA  17   8.393   8.376 -12.504
  128    H    GLU  18           H        GLU  18   7.702  10.265 -10.848
  129    HA   GLU  18           HA       GLU  18   5.840   9.100  -9.086
  130   1HB   GLU  18          HB2       GLU  18   8.146   9.870  -8.553
  131   2HB   GLU  18          HB3       GLU  18   7.609  11.554  -8.703
  132   1HG   GLU  18          HG2       GLU  18   5.878  10.835  -6.830
  133   2HG   GLU  18          HG3       GLU  18   7.039   9.527  -6.558
  134    H    ALA  19           H        ALA  19   6.017  12.431 -10.388
  135    HA   ALA  19           HA       ALA  19   3.820  13.339  -8.827
  136   1HB   ALA  19          HB1       ALA  19   3.965  15.346 -10.264
  137   2HB   ALA  19          HB2       ALA  19   5.569  14.818  -9.769
  138   3HB   ALA  19          HB3       ALA  19   4.986  14.465 -11.417
  139    H    LEU  20           H        LEU  20   4.059  12.035 -12.125
  140    HA   LEU  20           HA       LEU  20   1.292  12.499 -12.735
  141   1HB   LEU  20          HB2       LEU  20   3.509  10.978 -14.024
  142   2HB   LEU  20          HB3       LEU  20   1.909  10.290 -14.253
  143    HG   LEU  20           HG       LEU  20   2.642  13.126 -15.038
  144   1HD1  LEU  20          HD11      LEU  20   2.467  12.270 -17.343
  145   2HD1  LEU  20          HD12      LEU  20   3.763  11.483 -16.431
  146   3HD1  LEU  20          HD13      LEU  20   2.238  10.626 -16.700
  147   1HD2  LEU  20          HD21      LEU  20   0.440  12.992 -16.278
  148   2HD2  LEU  20          HD22      LEU  20   0.092  11.491 -15.393
  149   3HD2  LEU  20          HD23      LEU  20   0.253  13.027 -14.527
  150    H    PHE  21           H        PHE  21   3.068   9.707 -11.321
  151    HA   PHE  21           HA       PHE  21   0.679   8.146 -11.337
  152   1HB   PHE  21          HB2       PHE  21   3.043   7.187 -11.203
  153   2HB   PHE  21          HB3       PHE  21   2.971   7.530  -9.469
  154    HD1  PHE  21           HD1      PHE  21   1.245   5.769 -12.288
  155    HD2  PHE  21           HD2      PHE  21   1.579   6.085  -8.005
  156    HE1  PHE  21           HE1      PHE  21  -0.337   3.907 -12.033
  157    HE2  PHE  21           HE2      PHE  21   0.038   4.146  -7.769
  158    HZ   PHE  21           HZ       PHE  21  -0.943   3.081  -9.774
  159    H    LYS  22           H        LYS  22   2.091  10.328  -8.899
  160    HA   LYS  22           HA       LYS  22   0.195   9.738  -6.863
  161   1HB   LYS  22          HB2       LYS  22   1.731  12.270  -7.556
  162   2HB   LYS  22          HB3       LYS  22   0.606  12.200  -6.193
  163   1HG   LYS  22          HG2       LYS  22   1.867  10.415  -5.123
  164   2HG   LYS  22          HG3       LYS  22   2.927  10.267  -6.518
  165   1HD   LYS  22          HD2       LYS  22   3.854  12.493  -6.169
  166   2HD   LYS  22          HD3       LYS  22   2.681  12.826  -4.876
  167   1HE   LYS  22          HE2       LYS  22   3.641  11.049  -3.487
  168   2HE   LYS  22          HE3       LYS  22   4.772  10.612  -4.777
  169   1HZ   LYS  22          HZ1       LYS  22   5.900  12.664  -4.530
  170   2HZ   LYS  22          HZ2       LYS  22   4.774  13.265  -3.475
  171   3HZ   LYS  22          HZ3       LYS  22   5.744  12.028  -3.037
  172    H    SER  23           H        SER  23  -0.004  12.055  -9.605
  173    HA   SER  23           HA       SER  23  -2.601  12.916  -8.851
  174   1HB   SER  23          HB2       SER  23  -2.785  13.948 -10.993
  175   2HB   SER  23          HB3       SER  23  -1.117  14.112 -10.440
  176    HG   SER  23           HG       SER  23  -0.802  12.085 -11.812
  177    H    ILE  24           H        ILE  24  -1.590  10.222 -10.916
  178    HA   ILE  24           HA       ILE  24  -4.212   9.516 -11.769
  179    HB   ILE  24           HB       ILE  24  -1.568   8.036 -11.742
  180   1HG1  ILE  24          HG12      ILE  24  -3.188   9.107 -14.103
  181   2HG1  ILE  24          HG13      ILE  24  -2.016  10.106 -13.267
  182   1HG2  ILE  24          HG21      ILE  24  -3.361   6.338 -11.680
  183   2HG2  ILE  24          HG22      ILE  24  -4.174   7.122 -13.050
  184   3HG2  ILE  24          HG23      ILE  24  -2.581   6.355 -13.255
  185   1HD1  ILE  24          HD11      ILE  24  -0.204   8.516 -13.799
  186   2HD1  ILE  24          HD12      ILE  24  -1.355   7.514 -14.714
  187   3HD1  ILE  24          HD13      ILE  24  -0.996   9.160 -15.250
  188    H    ALA  25           H        ALA  25  -2.180   8.482  -9.019
  189    HA   ALA  25           HA       ALA  25  -3.992   6.459  -8.150
  190   1HB   ALA  25          HB1       ALA  25  -2.686   6.576  -6.019
  191   2HB   ALA  25          HB2       ALA  25  -1.621   6.493  -7.435
  192   3HB   ALA  25          HB3       ALA  25  -1.881   8.043  -6.599
  193    H    GLU  26           H        GLU  26  -3.694   9.925  -7.405
  194    HA   GLU  26           HA       GLU  26  -5.701   9.908  -5.399
  195   1HB   GLU  26          HB2       GLU  26  -3.996  11.693  -5.701
  196   2HB   GLU  26          HB3       GLU  26  -4.777  12.187  -7.209
  197   1HG   GLU  26          HG2       GLU  26  -6.824  12.796  -5.967
  198   2HG   GLU  26          HG3       GLU  26  -6.108  12.205  -4.464
  199    H    ARG  27           H        ARG  27  -5.901  10.408  -8.940
  200    HA   ARG  27           HA       ARG  27  -8.713  11.034  -8.762
  201   1HB   ARG  27          HB2       ARG  27  -8.806  11.229 -11.055
  202   2HB   ARG  27          HB3       ARG  27  -7.240  11.844 -10.553
  203   1HG   ARG  27          HG2       ARG  27  -6.678  10.749 -12.477
  204   2HG   ARG  27          HG3       ARG  27  -6.326   9.550 -11.262
  205   1HD   ARG  27          HD2       ARG  27  -7.381   8.471 -13.147
  206   2HD   ARG  27          HD3       ARG  27  -8.509   8.406 -11.795
  207    HE   ARG  27           HE       ARG  27  -8.935  10.744 -13.429
  208   1HH1  ARG  27          HH21      ARG  27  -9.560   7.218 -13.358
  209   2HH1  ARG  27          HH22      ARG  27 -10.971   7.342 -14.352
  210   1HH2  ARG  27          HH11      ARG  27 -10.816  10.864 -14.736
  211   2HH2  ARG  27          HH12      ARG  27 -11.690   9.441 -15.153
  212    H    GLU  28           H        GLU  28  -6.864   8.129  -9.310
  213    HA   GLU  28           HA       GLU  28  -9.222   6.556  -9.969
  214   1HB   GLU  28          HB2       GLU  28  -6.808   6.368 -10.920
  215   2HB   GLU  28          HB3       GLU  28  -6.450   5.449  -9.457
  216   1HG   GLU  28          HG2       GLU  28  -6.960   3.979 -11.334
  217   2HG   GLU  28          HG3       GLU  28  -8.199   3.818 -10.100
  218    H    GLY  29           H        GLY  29  -7.556   7.346  -6.996
  219   1HA   GLY  29          HA2       GLY  29  -8.141   6.823  -4.837
  220   2HA   GLY  29          HA3       GLY  29  -9.485   5.821  -5.423
  221    H    LEU  30           H        LEU  30  -5.910   5.784  -5.932
  222    HA   LEU  30           HA       LEU  30  -5.918   2.851  -5.390
  223   1HB   LEU  30          HB2       LEU  30  -5.050   4.270  -7.633
  224   2HB   LEU  30          HB3       LEU  30  -3.546   4.001  -6.756
  225    HG   LEU  30           HG       LEU  30  -5.579   1.814  -7.390
  226   1HD1  LEU  30          HD11      LEU  30  -4.105   1.143  -9.227
  227   2HD1  LEU  30          HD12      LEU  30  -4.715   2.783  -9.468
  228   3HD1  LEU  30          HD13      LEU  30  -3.046   2.542  -8.903
  229   1HD2  LEU  30          HD21      LEU  30  -2.646   1.558  -6.605
  230   2HD2  LEU  30          HD22      LEU  30  -4.015   1.272  -5.507
  231   3HD2  LEU  30          HD23      LEU  30  -3.793   0.237  -6.914
  232    H    ASN  31           H        ASN  31  -5.167   2.348  -3.414
  233    HA   ASN  31           HA       ASN  31  -3.744   4.264  -1.770
  234   1HB   ASN  31          HB2       ASN  31  -5.310   2.699  -0.742
  235   2HB   ASN  31          HB3       ASN  31  -4.398   1.320  -1.371
  236   1HD2  ASN  31          HD22      ASN  31  -3.920   0.448   0.731
  237   2HD2  ASN  31          HD21      ASN  31  -2.823   1.245   1.826
  238    H    VAL  32           H        VAL  32  -1.684   4.767  -2.395
  239    HA   VAL  32           HA       VAL  32   0.344   2.648  -2.283
  240    HB   VAL  32           HB       VAL  32   1.532   3.556  -4.255
  241   1HG1  VAL  32          HG11      VAL  32   0.286   2.529  -6.018
  242   2HG1  VAL  32          HG12      VAL  32   0.090   1.561  -4.551
  243   3HG1  VAL  32          HG13      VAL  32  -1.227   2.624  -5.090
  244   1HG2  VAL  32          HG21      VAL  32   0.550   5.032  -5.849
  245   2HG2  VAL  32          HG22      VAL  32  -1.006   5.063  -4.991
  246   3HG2  VAL  32          HG23      VAL  32   0.435   5.836  -4.294
  247    H    ASN  33           H        ASN  33   2.557   3.741  -2.249
  248    HA   ASN  33           HA       ASN  33   2.573   6.634  -1.763
  249   1HB   ASN  33          HB2       ASN  33   3.076   5.590   0.472
  250   2HB   ASN  33          HB3       ASN  33   4.305   4.584  -0.311
  251   1HD2  ASN  33          HD22      ASN  33   6.245   5.370   0.457
  252   2HD2  ASN  33          HD21      ASN  33   6.725   7.067   0.385
  253    H    VAL  34           H        VAL  34   4.413   7.528  -2.898
  254    HA   VAL  34           HA       VAL  34   6.066   5.643  -4.364
  255    HB   VAL  34           HB       VAL  34   5.734   6.632  -6.526
  256   1HG1  VAL  34          HG11      VAL  34   3.604   5.803  -7.135
  257   2HG1  VAL  34          HG12      VAL  34   4.098   4.783  -5.776
  258   3HG1  VAL  34          HG13      VAL  34   2.913   6.088  -5.529
  259   1HG2  VAL  34          HG21      VAL  34   3.496   8.312  -5.318
  260   2HG2  VAL  34          HG22      VAL  34   5.067   8.928  -5.838
  261   3HG2  VAL  34          HG23      VAL  34   3.972   8.235  -7.035
  262    H    ARG  35           H        ARG  35   8.035   6.419  -4.968
  263    HA   ARG  35           HA       ARG  35   8.937   9.080  -4.019
  264   1HB   ARG  35          HB2       ARG  35   9.980   6.256  -3.502
  265   2HB   ARG  35          HB3       ARG  35  11.062   7.627  -3.415
  266   1HG   ARG  35          HG2       ARG  35  10.478   8.128  -1.374
  267   2HG   ARG  35          HG3       ARG  35   8.758   8.245  -1.780
  268   1HD   ARG  35          HD2       ARG  35   8.398   5.910  -1.328
  269   2HD   ARG  35          HD3       ARG  35  10.135   5.575  -1.282
  270    HE   ARG  35           HE       ARG  35   9.513   7.544   0.685
  271   1HH1  ARG  35          HH21      ARG  35   8.919   4.109   0.112
  272   2HH1  ARG  35          HH22      ARG  35   9.126   3.624   1.736
  273   1HH2  ARG  35          HH11      ARG  35   9.664   6.961   2.906
  274   2HH2  ARG  35          HH12      ARG  35   9.504   5.323   3.398
  275    H    SER  36           H        SER  36  11.159   9.481  -4.913
  276    HA   SER  36           HA       SER  36  11.709   8.175  -7.501
  277   1HB   SER  36          HB2       SER  36  12.134  11.120  -6.936
  278   2HB   SER  36          HB3       SER  36  12.317  10.287  -8.466
  279    HG   SER  36           HG       SER  36   9.926  10.803  -7.039
  280    H    ALA  37           H        ALA  37  13.967   7.947  -7.886
  281    HA   ALA  37           HA       ALA  37  15.864   9.298  -6.140
  282   1HB   ALA  37          HB1       ALA  37  15.294   7.234  -4.841
  283   2HB   ALA  37          HB2       ALA  37  15.765   6.249  -6.243
  284   3HB   ALA  37          HB3       ALA  37  16.966   7.259  -5.390
  285    H    GLY  38           H        GLY  38  18.150   8.502  -6.867
  286   1HA   GLY  38          HA2       GLY  38  18.186   7.521  -9.624
  287   2HA   GLY  38          HA3       GLY  38  19.041   9.030  -9.328
  288    H    VAL  39           H        VAL  39  20.057   6.205 -10.011
  289    HA   VAL  39           HA       VAL  39  21.306   5.173  -7.640
  290    HB   VAL  39           HB       VAL  39  22.833   3.976  -9.281
  291   1HG1  VAL  39          HG11      VAL  39  20.808   2.920  -8.373
  292   2HG1  VAL  39          HG12      VAL  39  19.830   3.641  -9.681
  293   3HG1  VAL  39          HG13      VAL  39  21.093   2.455 -10.065
  294   1HG2  VAL  39          HG21      VAL  39  22.546   5.584 -11.209
  295   2HG2  VAL  39          HG22      VAL  39  22.299   3.867 -11.590
  296   3HG2  VAL  39          HG23      VAL  39  20.901   4.928 -11.414
  297    H    PHE  40           H        PHE  40  22.170   7.875  -9.678
  298    HA   PHE  40           HA       PHE  40  24.524   8.387  -7.955
  299   1HB   PHE  40          HB2       PHE  40  24.470   8.421 -11.000
  300   2HB   PHE  40          HB3       PHE  40  25.726   9.189 -10.041
  301    HD1  PHE  40           HD1      PHE  40  24.661   6.038 -11.493
  302    HD2  PHE  40           HD2      PHE  40  27.111   7.805  -8.409
  303    HE1  PHE  40           HE1      PHE  40  25.995   3.956 -11.353
  304    HE2  PHE  40           HE2      PHE  40  28.423   5.705  -8.258
  305    HZ   PHE  40           HZ       PHE  40  27.867   3.775  -9.729
  306    H    ALA  41           H        ALA  41  21.759   9.363  -7.892
  307    HA   ALA  41           HA       ALA  41  21.807  12.159  -8.764
  308   1HB   ALA  41          HB1       ALA  41  20.001  10.626  -6.839
  309   2HB   ALA  41          HB2       ALA  41  19.738  12.293  -7.394
  310   3HB   ALA  41          HB3       ALA  41  19.681  10.968  -8.556
  311    H    SER  42           H        SER  42  21.376  13.789  -6.903
  312    HA   SER  42           HA       SER  42  23.154  13.326  -4.596
  313   1HB   SER  42          HB2       SER  42  23.186  15.795  -6.365
  314   2HB   SER  42          HB3       SER  42  24.168  15.527  -4.914
  315    HG   SER  42           HG       SER  42  25.304  15.068  -6.860
  316    HA   PRO  43           HA       PRO  43  19.632  14.917  -2.412
  317   1HB   PRO  43          HB2       PRO  43  21.693  16.102  -0.549
  318   2HB   PRO  43          HB3       PRO  43  20.190  15.206  -0.146
  319   1HG   PRO  43          HG2       PRO  43  22.531  13.897  -0.109
  320   2HG   PRO  43          HG3       PRO  43  21.127  13.150  -0.955
  321   1HD   PRO  43          HD2       PRO  43  23.418  14.729  -2.169
  322   2HD   PRO  43          HD3       PRO  43  22.739  13.146  -2.648
  323    H    ASN  44           H        ASN  44  21.042  17.031  -4.364
  324    HA   ASN  44           HA       ASN  44  19.561  19.375  -3.325
  325   1HB   ASN  44          HB2       ASN  44  21.912  19.505  -2.459
  326   2HB   ASN  44          HB3       ASN  44  22.487  19.518  -4.129
  327   1HD2  ASN  44          HD22      ASN  44  23.134  21.631  -4.591
  328   2HD2  ASN  44          HD21      ASN  44  22.237  23.060  -4.152
  329    H    GLY  45           H        GLY  45  19.981  17.337  -5.904
  330   1HA   GLY  45          HA2       GLY  45  19.834  19.394  -8.045
  331   2HA   GLY  45          HA3       GLY  45  19.734  17.631  -8.240
  332    H    LYS  46           H        LYS  46  17.747  19.998  -8.925
  333    HA   LYS  46           HA       LYS  46  15.373  18.774  -7.621
  334   1HB   LYS  46          HB2       LYS  46  16.015  20.551  -6.148
  335   2HB   LYS  46          HB3       LYS  46  16.206  21.685  -7.498
  336   1HG   LYS  46          HG2       LYS  46  13.692  21.446  -7.924
  337   2HG   LYS  46          HG3       LYS  46  13.607  20.461  -6.470
  338   1HD   LYS  46          HD2       LYS  46  12.907  22.747  -5.999
  339   2HD   LYS  46          HD3       LYS  46  14.358  22.346  -5.097
  340   1HE   LYS  46          HE2       LYS  46  14.527  24.608  -5.923
  341   2HE   LYS  46          HE3       LYS  46  15.754  23.610  -6.695
  342   1HZ   LYS  46          HZ1       LYS  46  14.640  25.081  -8.261
  343   2HZ   LYS  46          HZ2       LYS  46  14.353  23.536  -8.682
  344   3HZ   LYS  46          HZ3       LYS  46  13.187  24.425  -7.943
  345    H    ALA  47           H        ALA  47  14.183  18.119  -9.202
  346    HA   ALA  47           HA       ALA  47  13.334  17.784 -11.284
  347   1HB   ALA  47          HB1       ALA  47  12.537  20.703 -10.970
  348   2HB   ALA  47          HB2       ALA  47  11.656  19.419 -11.837
  349   3HB   ALA  47          HB3       ALA  47  11.800  19.361 -10.074
  350    H    THR  48           H        THR  48  12.900  19.875 -13.387
  351    HA   THR  48           HA       THR  48  15.561  20.759 -14.115
  352    HB   THR  48           HB       THR  48  15.684  19.886 -16.270
  353    HG1  THR  48           HG1      THR  48  14.033  18.817 -17.298
  354   1HG2  THR  48          HG21      THR  48  15.497  17.463 -16.204
  355   2HG2  THR  48          HG22      THR  48  16.167  18.063 -14.679
  356   3HG2  THR  48          HG23      THR  48  14.460  17.543 -14.769
  357    HA   PRO  49           HA       PRO  49  13.222  24.352 -15.236
  358   1HB   PRO  49          HB2       PRO  49  14.543  24.259 -17.954
  359   2HB   PRO  49          HB3       PRO  49  14.345  25.653 -16.846
  360   1HG   PRO  49          HG2       PRO  49  16.722  24.366 -16.996
  361   2HG   PRO  49          HG3       PRO  49  16.061  24.835 -15.395
  362   1HD   PRO  49          HD2       PRO  49  15.976  22.130 -16.745
  363   2HD   PRO  49          HD3       PRO  49  16.355  22.538 -15.043
  364    H    HIS  50           H        HIS  50  12.988  21.511 -17.295
  365    HA   HIS  50           HA       HIS  50  10.542  22.600 -18.574
  366   1HB   HIS  50          HB2       HIS  50  12.669  20.754 -19.635
  367   2HB   HIS  50          HB3       HIS  50  11.127  21.036 -20.444
  368    HD1  HIS  50           HD1      HIS  50  14.104  21.814 -21.647
  369    HD2  HIS  50           HD2      HIS  50  11.185  24.336 -19.929
  370    HE1  HIS  50           HE1      HIS  50  14.574  24.157 -22.503
  371    H    ALA  51           H        ALA  51  11.916  19.771 -16.881
  372    HA   ALA  51           HA       ALA  51   9.605  18.125 -17.168
  373   1HB   ALA  51          HB1       ALA  51  10.406  17.085 -15.021
  374   2HB   ALA  51          HB2       ALA  51  11.696  17.222 -16.223
  375   3HB   ALA  51          HB3       ALA  51  11.620  18.367 -14.874
  376    H    VAL  52           H        VAL  52  10.557  20.566 -14.759
  377    HA   VAL  52           HA       VAL  52   8.247  20.332 -13.194
  378    HB   VAL  52           HB       VAL  52  10.621  21.428 -12.859
  379   1HG1  VAL  52          HG11      VAL  52  10.737  23.817 -12.854
  380   2HG1  VAL  52          HG12      VAL  52  10.415  23.240 -14.493
  381   3HG1  VAL  52          HG13      VAL  52   9.090  23.945 -13.512
  382   1HG2  VAL  52          HG21      VAL  52   9.130  21.095 -11.060
  383   2HG2  VAL  52          HG22      VAL  52   9.815  22.714 -10.922
  384   3HG2  VAL  52          HG23      VAL  52   8.148  22.510 -11.516
  385    H    GLU  53           H        GLU  53   8.994  22.362 -15.991
  386    HA   GLU  53           HA       GLU  53   6.594  23.863 -15.855
  387   1HB   GLU  53          HB2       GLU  53   8.621  24.625 -16.999
  388   2HB   GLU  53          HB3       GLU  53   8.447  23.351 -18.215
  389   1HG   GLU  53          HG2       GLU  53   6.411  24.351 -19.071
  390   2HG   GLU  53          HG3       GLU  53   6.317  25.463 -17.701
  391    H    ALA  54           H        ALA  54   7.462  20.841 -17.522
  392    HA   ALA  54           HA       ALA  54   5.076  20.557 -19.014
  393   1HB   ALA  54          HB1       ALA  54   5.748  18.159 -19.170
  394   2HB   ALA  54          HB2       ALA  54   7.109  19.243 -19.490
  395   3HB   ALA  54          HB3       ALA  54   6.970  18.423 -17.921
  396    H    LEU  55           H        LEU  55   5.916  19.513 -15.708
  397    HA   LEU  55           HA       LEU  55   3.239  18.352 -15.373
  398   1HB   LEU  55          HB2       LEU  55   5.617  18.693 -13.584
  399   2HB   LEU  55          HB3       LEU  55   4.045  18.250 -12.900
  400    HG   LEU  55           HG       LEU  55   5.552  16.328 -13.262
  401   1HD1  LEU  55          HD11      LEU  55   3.039  16.123 -14.967
  402   2HD1  LEU  55          HD12      LEU  55   3.938  14.806 -14.190
  403   3HD1  LEU  55          HD13      LEU  55   3.122  16.002 -13.184
  404   1HD2  LEU  55          HD21      LEU  55   6.664  16.952 -15.369
  405   2HD2  LEU  55          HD22      LEU  55   5.925  15.352 -15.462
  406   3HD2  LEU  55          HD23      LEU  55   5.137  16.724 -16.253
  407    H    PHE  56           H        PHE  56   4.663  21.530 -14.756
  408    HA   PHE  56           HA       PHE  56   2.394  22.413 -13.181
  409   1HB   PHE  56          HB2       PHE  56   4.728  23.727 -14.512
  410   2HB   PHE  56          HB3       PHE  56   3.280  24.701 -14.406
  411    HD1  PHE  56           HD1      PHE  56   6.143  23.552 -12.535
  412    HD2  PHE  56           HD2      PHE  56   2.067  24.914 -12.153
  413    HE1  PHE  56           HE1      PHE  56   6.541  24.075 -10.150
  414    HE2  PHE  56           HE2      PHE  56   2.472  25.442  -9.773
  415    HZ   PHE  56           HZ       PHE  56   4.720  25.052  -8.763
  416    H    GLU  57           H        GLU  57   3.117  22.321 -16.712
  417    HA   GLU  57           HA       GLU  57   0.609  23.443 -17.496
  418   1HB   GLU  57          HB2       GLU  57   2.646  23.196 -18.930
  419   2HB   GLU  57          HB3       GLU  57   2.406  21.455 -18.949
  420   1HG   GLU  57          HG2       GLU  57   1.566  22.315 -21.003
  421   2HG   GLU  57          HG3       GLU  57   0.167  21.831 -20.060
  422    H    LYS  58           H        LYS  58   1.624  20.075 -16.695
  423    HA   LYS  58           HA       LYS  58  -1.007  18.934 -17.112
  424   1HB   LYS  58          HB2       LYS  58   1.298  17.726 -16.935
  425   2HB   LYS  58          HB3       LYS  58   1.107  17.910 -15.195
  426   1HG   LYS  58          HG2       LYS  58   0.470  15.699 -15.798
  427   2HG   LYS  58          HG3       LYS  58  -0.964  16.554 -15.272
  428   1HD   LYS  58          HD2       LYS  58  -1.590  15.201 -17.083
  429   2HD   LYS  58          HD3       LYS  58  -1.589  16.851 -17.717
  430   1HE   LYS  58          HE2       LYS  58   0.621  16.456 -18.755
  431   2HE   LYS  58          HE3       LYS  58   0.723  14.863 -17.994
  432   1HZ   LYS  58          HZ1       LYS  58  -1.205  14.159 -19.302
  433   2HZ   LYS  58          HZ2       LYS  58  -1.343  15.638 -19.993
  434   3HZ   LYS  58          HZ3       LYS  58  -0.045  14.699 -20.312
  435    H    HIS  59           H        HIS  59   0.065  21.154 -14.838
  436    HA   HIS  59           HA       HIS  59  -0.649  22.068 -12.993
  437   1HB   HIS  59          HB2       HIS  59  -3.034  22.299 -12.525
  438   2HB   HIS  59          HB3       HIS  59  -2.531  22.744 -14.141
  439    HD1  HIS  59           HD1      HIS  59  -3.956  21.734 -16.077
  440    HD2  HIS  59           HD2      HIS  59  -4.312  19.731 -12.393
  441    HE1  HIS  59           HE1      HIS  59  -5.818  20.021 -16.372
  442    H    ILE  60           H        ILE  60   0.741  19.963 -12.597
  443    HA   ILE  60           HA       ILE  60  -0.391  18.681 -10.152
  444    HB   ILE  60           HB       ILE  60   1.702  17.728 -12.112
  445   1HG1  ILE  60          HG12      ILE  60  -0.977  16.501 -11.261
  446   2HG1  ILE  60          HG13      ILE  60  -0.758  17.465 -12.713
  447   1HG2  ILE  60          HG21      ILE  60   1.803  15.645 -10.692
  448   2HG2  ILE  60          HG22      ILE  60   2.437  17.053  -9.861
  449   3HG2  ILE  60          HG23      ILE  60   0.808  16.454  -9.475
  450   1HD1  ILE  60          HD11      ILE  60  -0.732  15.175 -13.353
  451   2HD1  ILE  60          HD12      ILE  60   0.897  15.840 -13.566
  452   3HD1  ILE  60          HD13      ILE  60   0.536  14.772 -12.193
  453    H    ALA  61           H        ALA  61   1.976  20.916 -11.365
  454    HA   ALA  61           HA       ALA  61   3.547  22.184 -10.383
  455   1HB   ALA  61          HB1       ALA  61   1.607  22.973  -9.115
  456   2HB   ALA  61          HB2       ALA  61   1.891  21.738  -7.871
  457   3HB   ALA  61          HB3       ALA  61   3.081  23.020  -8.127
  458    H    LEU  62           H        LEU  62   4.937  20.293 -10.952
  459    HA   LEU  62           HA       LEU  62   5.916  18.431  -9.005
  460   1HB   LEU  62          HB2       LEU  62   6.139  18.375 -11.523
  461   2HB   LEU  62          HB3       LEU  62   7.356  19.632 -11.418
  462    HG   LEU  62           HG       LEU  62   7.496  16.758 -10.398
  463   1HD1  LEU  62          HD11      LEU  62   9.124  18.178 -12.553
  464   2HD1  LEU  62          HD12      LEU  62   9.184  16.456 -12.128
  465   3HD1  LEU  62          HD13      LEU  62   7.731  17.126 -12.868
  466   1HD2  LEU  62          HD21      LEU  62  10.021  17.343 -10.095
  467   2HD2  LEU  62          HD22      LEU  62   9.470  19.020  -9.982
  468   3HD2  LEU  62          HD23      LEU  62   8.895  17.780  -8.828
  469    H    ASN  63           H        ASN  63   7.360  18.791  -7.331
  470    HA   ASN  63           HA       ASN  63   9.467  20.721  -7.590
  471   1HB   ASN  63          HB2       ASN  63   7.137  21.660  -6.180
  472   2HB   ASN  63          HB3       ASN  63   8.350  21.290  -4.960
  473   1HD2  ASN  63          HD22      ASN  63   8.219  22.764  -8.256
  474   2HD2  ASN  63          HD21      ASN  63   9.256  24.130  -7.872
  475    H    HIS  64           H        HIS  64  11.069  19.289  -7.150
  476    HA   HIS  64           HA       HIS  64  10.829  17.422  -4.863
  477   1HB   HIS  64          HB2       HIS  64   9.726  16.310  -6.789
  478   2HB   HIS  64          HB3       HIS  64  11.147  16.611  -7.794
  479    HD1  HIS  64           HD1      HIS  64   9.810  14.061  -5.366
  480    HD2  HIS  64           HD2      HIS  64  13.460  15.270  -7.090
  481    HE1  HIS  64           HE1      HIS  64  11.460  12.188  -4.938
  482    H    VAL  65           H        VAL  65  12.732  17.781  -3.822
  483    HA   VAL  65           HA       VAL  65  15.249  18.232  -5.339
  484    HB   VAL  65           HB       VAL  65  14.746  18.031  -2.337
  485   1HG1  VAL  65          HG11      VAL  65  17.033  19.020  -2.172
  486   2HG1  VAL  65          HG12      VAL  65  17.057  17.430  -2.937
  487   3HG1  VAL  65          HG13      VAL  65  17.200  18.892  -3.939
  488   1HG2  VAL  65          HG21      VAL  65  13.699  20.089  -3.300
  489   2HG2  VAL  65          HG22      VAL  65  15.080  20.452  -2.257
  490   3HG2  VAL  65          HG23      VAL  65  15.272  20.515  -4.014
  491    H    SER  66           H        SER  66  16.620  16.580  -5.653
  492    HA   SER  66           HA       SER  66  15.654  13.881  -5.615
  493   1HB   SER  66          HB2       SER  66  18.404  15.022  -6.293
  494   2HB   SER  66          HB3       SER  66  17.747  13.458  -6.809
  495    HG   SER  66           HG       SER  66  16.993  16.074  -7.573
  496    H    SER  67           H        SER  67  17.245  12.071  -4.996
  497    HA   SER  67           HA       SER  67  19.184  12.514  -2.932
  498   1HB   SER  67          HB2       SER  67  16.588  11.012  -2.319
  499   2HB   SER  67          HB3       SER  67  18.069  10.818  -1.368
  500    HG   SER  67           HG       SER  67  17.174  13.415  -1.855
  501    HA   PRO  68           HA       PRO  68  20.551   8.928  -5.207
  502   1HB   PRO  68          HB2       PRO  68  22.282   7.681  -3.502
  503   2HB   PRO  68          HB3       PRO  68  22.640   9.268  -4.246
  504   1HG   PRO  68          HG2       PRO  68  21.471   8.734  -1.491
  505   2HG   PRO  68          HG3       PRO  68  22.858   9.795  -1.915
  506   1HD   PRO  68          HD2       PRO  68  20.350  10.782  -1.573
  507   2HD   PRO  68          HD3       PRO  68  21.423  11.426  -2.852
  508    H    LEU  69           H        LEU  69  19.869   6.784  -5.523
  509    HA   LEU  69           HA       LEU  69  17.924   5.638  -3.676
  510   1HB   LEU  69          HB2       LEU  69  17.778   5.135  -6.093
  511   2HB   LEU  69          HB3       LEU  69  19.369   4.391  -6.060
  512    HG   LEU  69           HG       LEU  69  18.616   2.556  -4.747
  513   1HD1  LEU  69          HD11      LEU  69  17.120   3.512  -3.077
  514   2HD1  LEU  69          HD12      LEU  69  15.987   4.043  -4.341
  515   3HD1  LEU  69          HD13      LEU  69  16.210   2.318  -3.986
  516   1HD2  LEU  69          HD21      LEU  69  16.372   3.128  -6.709
  517   2HD2  LEU  69          HD22      LEU  69  17.996   2.560  -7.155
  518   3HD2  LEU  69          HD23      LEU  69  16.947   1.538  -6.162
  519    H    THR  70           H        THR  70  18.513   4.878  -1.762
  520    HA   THR  70           HA       THR  70  21.109   3.524  -1.426
  521    HB   THR  70           HB       THR  70  20.962   4.790   0.899
  522    HG1  THR  70           HG1      THR  70  19.705   6.637  -0.876
  523   1HG2  THR  70          HG21      THR  70  22.459   6.529  -0.023
  524   2HG2  THR  70          HG22      THR  70  22.828   4.921  -0.675
  525   3HG2  THR  70          HG23      THR  70  21.947   6.093  -1.673
  526    H    GLU  71           H        GLU  71  21.136   2.272   0.668
  527    HA   GLU  71           HA       GLU  71  19.268   0.356  -0.032
  528   1HB   GLU  71          HB2       GLU  71  21.601   0.016   0.862
  529   2HB   GLU  71          HB3       GLU  71  20.989   0.358   2.485
  530   1HG   GLU  71          HG2       GLU  71  19.432  -1.596   2.269
  531   2HG   GLU  71          HG3       GLU  71  20.080  -1.915   0.657
  532    H    GLU  72           H        GLU  72  19.231   2.623   2.671
  533    HA   GLU  72           HA       GLU  72  17.134   1.366   4.119
  534   1HB   GLU  72          HB2       GLU  72  16.947   3.526   5.306
  535   2HB   GLU  72          HB3       GLU  72  18.613   2.957   5.193
  536   1HG   GLU  72          HG2       GLU  72  19.004   4.550   3.296
  537   2HG   GLU  72          HG3       GLU  72  17.355   5.147   3.485
  538    H    LEU  73           H        LEU  73  17.092   3.674   1.426
  539    HA   LEU  73           HA       LEU  73  14.246   4.116   1.589
  540   1HB   LEU  73          HB2       LEU  73  15.794   5.717   0.477
  541   2HB   LEU  73          HB3       LEU  73  16.161   4.491  -0.745
  542    HG   LEU  73           HG       LEU  73  13.822   4.512  -1.497
  543   1HD1  LEU  73          HD11      LEU  73  13.377   6.693   0.562
  544   2HD1  LEU  73          HD12      LEU  73  12.282   6.327  -0.790
  545   3HD1  LEU  73          HD13      LEU  73  12.558   5.112   0.454
  546   1HD2  LEU  73          HD21      LEU  73  13.835   6.726  -2.564
  547   2HD2  LEU  73          HD22      LEU  73  15.069   7.282  -1.409
  548   3HD2  LEU  73          HD23      LEU  73  15.452   5.998  -2.573
  549    H    MET  74           H        MET  74  16.420   1.971  -0.209
  550    HA   MET  74           HA       MET  74  14.534   0.599  -1.785
  551   1HB   MET  74          HB2       MET  74  16.701   0.234  -2.407
  552   2HB   MET  74          HB3       MET  74  17.288   0.101  -0.766
  553   1HG   MET  74          HG2       MET  74  17.551  -2.007  -1.830
  554   2HG   MET  74          HG3       MET  74  16.379  -2.132  -0.531
  555   1HE   MET  74          HE1       MET  74  17.130  -2.597  -4.307
  556   2HE   MET  74          HE2       MET  74  15.534  -2.567  -5.077
  557   3HE   MET  74          HE3       MET  74  16.226  -1.066  -4.420
  558    H    GLU  75           H        GLU  75  15.547   0.007   1.596
  559    HA   GLU  75           HA       GLU  75  13.641  -2.182   1.872
  560   1HB   GLU  75          HB2       GLU  75  15.533  -0.760   3.756
  561   2HB   GLU  75          HB3       GLU  75  14.334  -1.899   4.372
  562   1HG   GLU  75          HG2       GLU  75  16.350  -2.622   2.201
  563   2HG   GLU  75          HG3       GLU  75  16.605  -2.897   3.922
  564    H    SER  76           H        SER  76  13.475   1.282   2.415
  565    HA   SER  76           HA       SER  76  10.998   1.163   3.919
  566   1HB   SER  76          HB2       SER  76  12.188   3.425   2.264
  567   2HB   SER  76          HB3       SER  76  10.861   3.553   3.428
  568    HG   SER  76           HG       SER  76  13.557   2.823   3.945
  569    H    ALA  77           H        ALA  77  11.805   0.840   0.499
  570    HA   ALA  77           HA       ALA  77   8.915   0.998  -0.175
  571   1HB   ALA  77          HB1       ALA  77  10.529   2.377  -1.446
  572   2HB   ALA  77          HB2       ALA  77  11.277   0.864  -2.056
  573   3HB   ALA  77          HB3       ALA  77   9.591   1.268  -2.452
  574    H    ASP  78           H        ASP  78   8.350  -0.509  -2.114
  575    HA   ASP  78           HA       ASP  78   9.110  -3.301  -1.443
  576   1HB   ASP  78          HB2       ASP  78   7.008  -2.582  -0.320
  577   2HB   ASP  78          HB3       ASP  78   6.319  -2.203  -1.903
  578    H    LEU  79           H        LEU  79   8.242  -0.957  -3.920
  579    HA   LEU  79           HA       LEU  79   8.943  -2.938  -6.007
  580   1HB   LEU  79          HB2       LEU  79   6.443  -2.315  -6.022
  581   2HB   LEU  79          HB3       LEU  79   6.934  -0.648  -6.208
  582    HG   LEU  79           HG       LEU  79   8.059  -1.240  -8.385
  583   1HD1  LEU  79          HD11      LEU  79   8.438  -3.661  -8.025
  584   2HD1  LEU  79          HD12      LEU  79   6.681  -3.930  -7.952
  585   3HD1  LEU  79          HD13      LEU  79   7.444  -3.390  -9.460
  586   1HD2  LEU  79          HD21      LEU  79   5.718  -0.356  -8.305
  587   2HD2  LEU  79          HD22      LEU  79   6.031  -1.402  -9.692
  588   3HD2  LEU  79          HD23      LEU  79   5.121  -2.026  -8.307
  589    H    VAL  80           H        VAL  80  10.437  -2.159  -7.460
  590    HA   VAL  80           HA       VAL  80  11.172   0.702  -7.318
  591    HB   VAL  80           HB       VAL  80  13.107  -1.641  -7.390
  592   1HG1  VAL  80          HG11      VAL  80  13.633   1.365  -7.265
  593   2HG1  VAL  80          HG12      VAL  80  14.867   0.090  -7.193
  594   3HG1  VAL  80          HG13      VAL  80  13.929   0.323  -8.671
  595   1HG2  VAL  80          HG21      VAL  80  12.313  -1.486  -5.138
  596   2HG2  VAL  80          HG22      VAL  80  13.882  -0.679  -5.165
  597   3HG2  VAL  80          HG23      VAL  80  12.390   0.284  -5.166
  598    H    LEU  81           H        LEU  81  11.410   1.578  -9.337
  599    HA   LEU  81           HA       LEU  81  10.879  -0.215 -11.621
  600   1HB   LEU  81          HB2       LEU  81   8.975   1.326 -10.283
  601   2HB   LEU  81          HB3       LEU  81   9.401   2.331 -11.660
  602    HG   LEU  81           HG       LEU  81   8.553  -0.627 -11.848
  603   1HD1  LEU  81          HD11      LEU  81   6.431   0.274 -12.697
  604   2HD1  LEU  81          HD12      LEU  81   6.724   0.841 -11.046
  605   3HD1  LEU  81          HD13      LEU  81   7.009   1.934 -12.418
  606   1HD2  LEU  81          HD21      LEU  81   9.956  -0.020 -13.716
  607   2HD2  LEU  81          HD22      LEU  81   8.274  -0.076 -14.244
  608   3HD2  LEU  81          HD23      LEU  81   9.060   1.497 -13.937
  609    H    ALA  82           H        ALA  82  12.695  -0.036 -12.746
  610    HA   ALA  82           HA       ALA  82  14.278   2.432 -12.597
  611   1HB   ALA  82          HB1       ALA  82  15.035  -0.403 -13.439
  612   2HB   ALA  82          HB2       ALA  82  16.145   0.960 -13.210
  613   3HB   ALA  82          HB3       ALA  82  15.284   0.291 -11.818
  614    H    MET  83           H        MET  83  14.759   3.602 -14.390
  615    HA   MET  83           HA       MET  83  13.177   3.258 -16.705
  616   1HB   MET  83          HB2       MET  83  15.675   4.985 -16.466
  617   2HB   MET  83          HB3       MET  83  14.415   5.115 -17.685
  618   1HG   MET  83          HG2       MET  83  14.216   5.714 -14.737
  619   2HG   MET  83          HG3       MET  83  13.947   6.803 -16.088
  620   1HE   MET  83          HE1       MET  83  12.096   5.697 -13.268
  621   2HE   MET  83          HE2       MET  83  11.822   7.257 -14.095
  622   3HE   MET  83          HE3       MET  83  10.497   6.071 -13.952
  623    H    THR  84           H        THR  84  16.354   1.739 -16.126
  624    HA   THR  84           HA       THR  84  16.064   0.529 -18.785
  625    HB   THR  84           HB       THR  84  18.378   0.863 -19.383
  626    HG1  THR  84           HG1      THR  84  19.617   2.361 -18.044
  627   1HG2  THR  84          HG21      THR  84  18.507   3.221 -19.863
  628   2HG2  THR  84          HG22      THR  84  16.827   2.705 -20.056
  629   3HG2  THR  84          HG23      THR  84  17.320   3.610 -18.604
  630    H    HIS  85           H        HIS  85  17.315  -1.463 -19.006
  631    HA   HIS  85           HA       HIS  85  17.399  -3.045 -16.641
  632   1HB   HIS  85          HB2       HIS  85  18.414  -4.751 -17.994
  633   2HB   HIS  85          HB3       HIS  85  17.100  -4.005 -18.898
  634    HD1  HIS  85           HD1      HIS  85  20.973  -4.160 -18.857
  635    HD2  HIS  85           HD2      HIS  85  17.732  -2.880 -21.242
  636    HE1  HIS  85           HE1      HIS  85  21.945  -3.534 -21.125
  637    H    GLN  86           H        GLN  86  19.804  -1.072 -18.347
  638    HA   GLN  86           HA       GLN  86  22.051  -1.930 -16.876
  639   1HB   GLN  86          HB2       GLN  86  22.248  -0.606 -18.935
  640   2HB   GLN  86          HB3       GLN  86  21.483   0.778 -18.151
  641   1HG   GLN  86          HG2       GLN  86  23.887   1.106 -18.290
  642   2HG   GLN  86          HG3       GLN  86  23.400   1.003 -16.609
  643   1HE2  GLN  86          HE22      GLN  86  23.934  -1.006 -15.395
  644   2HE2  GLN  86          HE21      GLN  86  25.263  -2.004 -15.952
  645    H    HIS  87           H        HIS  87  19.635   0.625 -16.139
  646    HA   HIS  87           HA       HIS  87  20.856   1.373 -13.665
  647   1HB   HIS  87          HB2       HIS  87  17.934   1.467 -14.444
  648   2HB   HIS  87          HB3       HIS  87  18.642   2.257 -13.040
  649    HD1  HIS  87           HD1      HIS  87  21.214   3.325 -15.148
  650    HD2  HIS  87           HD2      HIS  87  17.059   3.858 -15.171
  651    HE1  HIS  87           HE1      HIS  87  20.774   5.470 -16.450
  652    H    LYS  88           H        LYS  88  18.417  -1.139 -14.466
  653    HA   LYS  88           HA       LYS  88  18.012  -2.028 -11.814
  654   1HB   LYS  88          HB2       LYS  88  16.623  -2.843 -13.678
  655   2HB   LYS  88          HB3       LYS  88  17.999  -3.737 -14.342
  656   1HG   LYS  88          HG2       LYS  88  18.146  -5.068 -12.237
  657   2HG   LYS  88          HG3       LYS  88  16.739  -4.226 -11.620
  658   1HD   LYS  88          HD2       LYS  88  16.895  -6.132 -13.989
  659   2HD   LYS  88          HD3       LYS  88  16.182  -6.436 -12.404
  660   1HE   LYS  88          HE2       LYS  88  14.584  -4.427 -13.021
  661   2HE   LYS  88          HE3       LYS  88  15.116  -4.749 -14.677
  662   1HZ   LYS  88          HZ1       LYS  88  13.251  -6.088 -14.404
  663   2HZ   LYS  88          HZ2       LYS  88  14.439  -7.155 -14.140
  664   3HZ   LYS  88          HZ3       LYS  88  13.624  -6.524 -12.850
  665    H    GLN  89           H        GLN  89  20.533  -2.958 -14.135
  666    HA   GLN  89           HA       GLN  89  21.794  -4.846 -12.425
  667   1HB   GLN  89          HB2       GLN  89  22.808  -3.243 -14.816
  668   2HB   GLN  89          HB3       GLN  89  23.772  -4.489 -14.024
  669   1HG   GLN  89          HG2       GLN  89  22.254  -6.230 -14.650
  670   2HG   GLN  89          HG3       GLN  89  21.010  -5.094 -15.156
  671   1HE2  GLN  89          HE22      GLN  89  24.313  -6.275 -15.992
  672   2HE2  GLN  89          HE21      GLN  89  24.204  -5.853 -17.681
  673    H    ILE  90           H        ILE  90  22.275  -1.321 -12.798
  674    HA   ILE  90           HA       ILE  90  24.548  -1.237 -11.062
  675    HB   ILE  90           HB       ILE  90  22.495   0.904 -11.736
  676   1HG1  ILE  90          HG12      ILE  90  25.421   0.763 -12.594
  677   2HG1  ILE  90          HG13      ILE  90  24.161  -0.010 -13.531
  678   1HG2  ILE  90          HG21      ILE  90  24.137   2.540 -10.766
  679   2HG2  ILE  90          HG22      ILE  90  23.479   1.466  -9.545
  680   3HG2  ILE  90          HG23      ILE  90  25.112   1.183 -10.178
  681   1HD1  ILE  90          HD11      ILE  90  24.587   2.155 -14.494
  682   2HD1  ILE  90          HD12      ILE  90  22.976   2.190 -13.749
  683   3HD1  ILE  90          HD13      ILE  90  24.349   2.970 -12.941
  684    H    ILE  91           H        ILE  91  21.048  -0.923 -10.444
  685    HA   ILE  91           HA       ILE  91  21.204  -0.460  -7.663
  686    HB   ILE  91           HB       ILE  91  19.052  -1.829  -9.320
  687   1HG1  ILE  91          HG12      ILE  91  19.139   0.972  -8.127
  688   2HG1  ILE  91          HG13      ILE  91  19.696   0.636  -9.744
  689   1HG2  ILE  91          HG21      ILE  91  18.768  -2.504  -6.950
  690   2HG2  ILE  91          HG22      ILE  91  18.865  -0.796  -6.459
  691   3HG2  ILE  91          HG23      ILE  91  17.503  -1.380  -7.428
  692   1HD1  ILE  91          HD11      ILE  91  17.482   1.471  -9.930
  693   2HD1  ILE  91          HD12      ILE  91  17.452  -0.245 -10.365
  694   3HD1  ILE  91          HD13      ILE  91  16.847   0.285  -8.776
  695    H    ALA  92           H        ALA  92  21.054  -3.520  -9.463
  696    HA   ALA  92           HA       ALA  92  21.120  -5.227  -7.208
  697   1HB   ALA  92          HB1       ALA  92  21.754  -6.985  -8.833
  698   2HB   ALA  92          HB2       ALA  92  20.483  -5.945  -9.516
  699   3HB   ALA  92          HB3       ALA  92  22.170  -5.750 -10.033
  700    H    SER  93           H        SER  93  23.731  -3.750  -9.104
  701    HA   SER  93           HA       SER  93  25.849  -5.228  -7.856
  702   1HB   SER  93          HB2       SER  93  25.945  -2.564  -9.335
  703   2HB   SER  93          HB3       SER  93  27.323  -3.618  -8.975
  704    HG   SER  93           HG       SER  93  25.094  -4.137 -10.662
  705    H    GLN  94           H        GLN  94  24.274  -2.106  -7.075
  706    HA   GLN  94           HA       GLN  94  26.358  -1.492  -5.120
  707   1HB   GLN  94          HB2       GLN  94  25.045   0.440  -4.497
  708   2HB   GLN  94          HB3       GLN  94  25.361   0.372  -6.230
  709   1HG   GLN  94          HG2       GLN  94  23.075  -0.214  -6.694
  710   2HG   GLN  94          HG3       GLN  94  22.716  -0.474  -4.991
  711   1HE2  GLN  94          HE22      GLN  94  21.264   1.080  -4.452
  712   2HE2  GLN  94          HE21      GLN  94  21.509   2.794  -4.658
  713    H    PHE  95           H        PHE  95  23.057  -2.873  -5.018
  714    HA   PHE  95           HA       PHE  95  23.190  -2.891  -2.066
  715   1HB   PHE  95          HB2       PHE  95  21.043  -3.652  -4.054
  716   2HB   PHE  95          HB3       PHE  95  20.844  -3.714  -2.303
  717    HD1  PHE  95           HD1      PHE  95  19.232  -2.155  -4.418
  718    HD2  PHE  95           HD2      PHE  95  22.379  -0.982  -1.706
  719    HE1  PHE  95           HE1      PHE  95  18.259   0.121  -4.246
  720    HE2  PHE  95           HE2      PHE  95  21.458   1.259  -1.600
  721    HZ   PHE  95           HZ       PHE  95  19.322   1.812  -2.772
  722    H    GLY  96           H        GLY  96  23.906  -5.233  -4.560
  723   1HA   GLY  96          HA2       GLY  96  24.776  -7.371  -4.151
  724   2HA   GLY  96          HA3       GLY  96  24.262  -7.295  -2.460
  725    H    ARG  97           H        ARG  97  22.799  -7.103  -5.707
  726    HA   ARG  97           HA       ARG  97  20.957  -7.916  -6.650
  727   1HB   ARG  97          HB2       ARG  97  22.558  -9.888  -6.397
  728   2HB   ARG  97          HB3       ARG  97  21.457 -10.498  -5.159
  729   1HG   ARG  97          HG2       ARG  97  19.595 -10.458  -6.890
  730   2HG   ARG  97          HG3       ARG  97  20.755  -9.837  -8.067
  731   1HD   ARG  97          HD2       ARG  97  20.483 -12.189  -8.436
  732   2HD   ARG  97          HD3       ARG  97  22.114 -11.904  -7.800
  733    HE   ARG  97           HE       ARG  97  20.243 -12.490  -5.685
  734   1HH1  ARG  97          HH21      ARG  97  22.091 -14.091  -8.257
  735   2HH1  ARG  97          HH22      ARG  97  22.164 -15.616  -7.455
  736   1HH2  ARG  97          HH11      ARG  97  20.343 -14.520  -4.606
  737   2HH2  ARG  97          HH12      ARG  97  21.141 -15.861  -5.334
  738    H    TYR  98           H        TYR  98  20.132  -6.282  -4.684
  739    HA   TYR  98           HA       TYR  98  17.664  -7.440  -3.558
  740   1HB   TYR  98          HB2       TYR  98  18.782  -4.639  -3.809
  741   2HB   TYR  98          HB3       TYR  98  17.094  -4.902  -3.447
  742    HD1  TYR  98           HD1      TYR  98  16.457  -4.800  -1.241
  743    HD2  TYR  98           HD2      TYR  98  20.400  -6.288  -2.171
  744    HE1  TYR  98           HE1      TYR  98  16.936  -5.024   1.164
  745    HE2  TYR  98           HE2      TYR  98  20.889  -6.509   0.230
  746    HH   TYR  98           HH       TYR  98  18.507  -5.643   2.783
  747    H    ARG  99           H        ARG  99  18.679  -7.281  -6.579
  748    HA   ARG  99           HA       ARG  99  17.104  -6.034  -8.346
  749   1HB   ARG  99          HB2       ARG  99  19.045  -7.663  -8.642
  750   2HB   ARG  99          HB3       ARG  99  17.885  -8.982  -8.492
  751   1HG   ARG  99          HG2       ARG  99  16.709  -8.157 -10.526
  752   2HG   ARG  99          HG3       ARG  99  17.862  -6.807 -10.624
  753   1HD   ARG  99          HD2       ARG  99  19.731  -8.423 -10.855
  754   2HD   ARG  99          HD3       ARG  99  18.601  -9.772 -10.771
  755    HE   ARG  99           HE       ARG  99  19.154  -7.995 -13.019
  756   1HH1  ARG  99          HH21      ARG  99  16.835 -10.364 -11.733
  757   2HH1  ARG  99          HH22      ARG  99  16.166 -10.753 -13.272
  758   1HH2  ARG  99          HH11      ARG  99  18.265  -8.525 -15.072
  759   2HH2  ARG  99          HH12      ARG  99  17.002  -9.685 -15.206
  760    H    ASP 100           H        ASP 100  15.964  -8.726  -6.314
  761    HA   ASP 100           HA       ASP 100  13.769  -9.616  -7.783
  762   1HB   ASP 100          HB2       ASP 100  14.584 -10.704  -5.756
  763   2HB   ASP 100          HB3       ASP 100  14.095  -9.317  -4.778
  764    H    LYS 101           H        LYS 101  13.972  -6.635  -5.753
  765    HA   LYS 101           HA       LYS 101  11.088  -6.175  -5.987
  766   1HB   LYS 101          HB2       LYS 101  13.238  -4.188  -5.146
  767   2HB   LYS 101          HB3       LYS 101  11.495  -4.052  -4.915
  768   1HG   LYS 101          HG2       LYS 101  11.698  -6.209  -3.469
  769   2HG   LYS 101          HG3       LYS 101  13.444  -5.871  -3.491
  770   1HD   LYS 101          HD2       LYS 101  12.720  -3.438  -2.768
  771   2HD   LYS 101          HD3       LYS 101  11.176  -4.194  -2.354
  772   1HE   LYS 101          HE2       LYS 101  12.385  -5.789  -0.854
  773   2HE   LYS 101          HE3       LYS 101  13.917  -5.027  -1.306
  774   1HZ   LYS 101          HZ1       LYS 101  13.209  -4.124   0.748
  775   2HZ   LYS 101          HZ2       LYS 101  13.023  -2.930  -0.370
  776   3HZ   LYS 101          HZ3       LYS 101  11.705  -3.719   0.172
  777    H    VAL 102           H        VAL 102  13.641  -5.778  -8.230
  778    HA   VAL 102           HA       VAL 102  12.685  -3.158  -9.121
  779    HB   VAL 102           HB       VAL 102  15.161  -4.613 -10.071
  780   1HG1  VAL 102          HG11      VAL 102  14.360  -1.662  -9.981
  781   2HG1  VAL 102          HG12      VAL 102  15.933  -2.264 -10.526
  782   3HG1  VAL 102          HG13      VAL 102  14.473  -2.669 -11.435
  783   1HG2  VAL 102          HG21      VAL 102  15.081  -2.672  -7.726
  784   2HG2  VAL 102          HG22      VAL 102  15.399  -4.415  -7.605
  785   3HG2  VAL 102          HG23      VAL 102  16.519  -3.382  -8.486
  786    H    PHE 103           H        PHE 103  11.683  -2.844 -11.027
  787    HA   PHE 103           HA       PHE 103  11.777  -4.907 -13.142
  788   1HB   PHE 103          HB2       PHE 103   9.353  -3.321 -12.228
  789   2HB   PHE 103          HB3       PHE 103   9.457  -4.235 -13.729
  790    HD1  PHE 103           HD1      PHE 103   9.514  -4.587 -10.002
  791    HD2  PHE 103           HD2      PHE 103   9.098  -6.604 -13.795
  792    HE1  PHE 103           HE1      PHE 103   8.755  -6.637  -8.830
  793    HE2  PHE 103           HE2      PHE 103   8.337  -8.651 -12.617
  794    HZ   PHE 103           HZ       PHE 103   8.163  -8.674 -10.135
  795    H    THR 104           H        THR 104  11.695  -3.944 -15.241
  796    HA   THR 104           HA       THR 104  12.865  -1.261 -15.268
  797    HB   THR 104           HB       THR 104  12.370  -2.801 -17.798
  798    HG1  THR 104           HG1      THR 104  13.209  -4.394 -16.315
  799   1HG2  THR 104          HG21      THR 104  14.638  -1.950 -18.313
  800   2HG2  THR 104          HG22      THR 104  13.535  -0.629 -17.884
  801   3HG2  THR 104          HG23      THR 104  14.709  -1.225 -16.684
  802    H    LEU 105           H        LEU 105  11.956   0.491 -16.554
  803    HA   LEU 105           HA       LEU 105   9.287   0.840 -16.003
  804   1HB   LEU 105          HB2       LEU 105  10.818   2.720 -16.286
  805   2HB   LEU 105          HB3       LEU 105  10.844   2.436 -18.038
  806    HG   LEU 105           HG       LEU 105   8.415   2.864 -18.129
  807   1HD1  LEU 105          HD11      LEU 105   7.298   3.967 -16.106
  808   2HD1  LEU 105          HD12      LEU 105   7.614   2.250 -15.892
  809   3HD1  LEU 105          HD13      LEU 105   8.686   3.461 -15.140
  810   1HD2  LEU 105          HD21      LEU 105   8.409   5.207 -17.915
  811   2HD2  LEU 105          HD22      LEU 105   9.640   5.198 -16.675
  812   3HD2  LEU 105          HD23      LEU 105  10.076   4.761 -18.350
  813    H    LYS 106           H        LYS 106  10.451  -0.075 -19.327
  814    HA   LYS 106           HA       LYS 106   7.621  -0.458 -20.051
  815   1HB   LYS 106          HB2       LYS 106  10.178  -1.217 -21.494
  816   2HB   LYS 106          HB3       LYS 106   8.581  -1.558 -22.124
  817   1HG   LYS 106          HG2       LYS 106   9.470   1.274 -21.429
  818   2HG   LYS 106          HG3       LYS 106   9.697   0.543 -23.024
  819   1HD   LYS 106          HD2       LYS 106   7.296   0.261 -23.327
  820   2HD   LYS 106          HD3       LYS 106   6.977   0.791 -21.679
  821   1HE   LYS 106          HE2       LYS 106   6.438   2.592 -23.144
  822   2HE   LYS 106          HE3       LYS 106   7.848   3.045 -22.188
  823   1HZ   LYS 106          HZ1       LYS 106   9.231   2.746 -24.095
  824   2HZ   LYS 106          HZ2       LYS 106   8.013   2.052 -24.977
  825   3HZ   LYS 106          HZ3       LYS 106   7.935   3.636 -24.563
  826    H    GLU 107           H        GLU 107  10.155  -2.503 -18.658
  827    HA   GLU 107           HA       GLU 107   9.084  -5.021 -19.399
  828   1HB   GLU 107          HB2       GLU 107  11.331  -4.708 -18.439
  829   2HB   GLU 107          HB3       GLU 107  10.595  -4.183 -16.922
  830   1HG   GLU 107          HG2       GLU 107   9.569  -6.484 -16.700
  831   2HG   GLU 107          HG3       GLU 107  10.501  -6.964 -18.127
  832    H    TYR 108           H        TYR 108   8.412  -2.961 -16.546
  833    HA   TYR 108           HA       TYR 108   6.779  -4.783 -15.169
  834   1HB   TYR 108          HB2       TYR 108   7.823  -2.679 -14.281
  835   2HB   TYR 108          HB3       TYR 108   6.642  -1.742 -15.177
  836    HD1  TYR 108           HD1      TYR 108   4.574  -1.196 -14.156
  837    HD2  TYR 108           HD2      TYR 108   6.911  -4.448 -12.564
  838    HE1  TYR 108           HE1      TYR 108   2.966  -1.439 -12.284
  839    HE2  TYR 108           HE2      TYR 108   5.350  -4.645 -10.652
  840    HH   TYR 108           HH       TYR 108   2.456  -2.533 -10.335
  841    H    VAL 109           H        VAL 109   6.013  -2.936 -18.006
  842    HA   VAL 109           HA       VAL 109   3.082  -3.329 -17.575
  843    HB   VAL 109           HB       VAL 109   4.458  -1.240 -19.289
  844   1HG1  VAL 109          HG11      VAL 109   2.331  -0.025 -19.030
  845   2HG1  VAL 109          HG12      VAL 109   2.067  -1.602 -19.786
  846   3HG1  VAL 109          HG13      VAL 109   1.669  -1.366 -18.069
  847   1HG2  VAL 109          HG21      VAL 109   5.258  -0.806 -17.036
  848   2HG2  VAL 109          HG22      VAL 109   3.988   0.342 -17.398
  849   3HG2  VAL 109          HG23      VAL 109   3.625  -1.059 -16.367
  850    H    THR 110           H        THR 110   5.567  -3.276 -20.210
  851    HA   THR 110           HA       THR 110   3.660  -4.490 -22.079
  852    HB   THR 110           HB       THR 110   5.423  -4.223 -23.711
  853    HG1  THR 110           HG1      THR 110   7.076  -3.392 -21.544
  854   1HG2  THR 110          HG21      THR 110   4.102  -2.189 -23.120
  855   2HG2  THR 110          HG22      THR 110   5.374  -1.708 -21.977
  856   3HG2  THR 110          HG23      THR 110   5.731  -1.823 -23.712
  857    H    GLY 111           H        GLY 111   6.056  -5.588 -19.821
  858   1HA   GLY 111          HA2       GLY 111   6.586  -7.779 -19.266
  859   2HA   GLY 111          HA3       GLY 111   5.860  -8.371 -20.763
  860    H    SER 112           H        SER 112   7.935  -5.739 -21.550
  861    HA   SER 112           HA       SER 112  10.285  -7.504 -21.965
  862   1HB   SER 112          HB2       SER 112   8.980  -5.660 -24.011
  863   2HB   SER 112          HB3       SER 112  10.436  -6.640 -24.258
  864    HG   SER 112           HG       SER 112   8.541  -7.630 -25.104
  865    H    HIS 113           H        HIS 113  12.283  -6.447 -21.835
  866    HA   HIS 113           HA       HIS 113  12.428  -4.056 -20.327
  867   1HB   HIS 113          HB2       HIS 113  14.551  -5.376 -22.065
  868   2HB   HIS 113          HB3       HIS 113  14.850  -4.092 -20.900
  869    HD1  HIS 113           HD1      HIS 113  14.348  -4.818 -18.193
  870    HD2  HIS 113           HD2      HIS 113  14.627  -7.830 -21.139
  871    HE1  HIS 113           HE1      HIS 113  14.717  -6.997 -16.962
  872    H    GLY 114           H        GLY 114  12.908  -1.931 -20.872
  873   1HA   GLY 114          HA2       GLY 114  13.698  -0.743 -23.201
  874   2HA   GLY 114          HA3       GLY 114  11.946  -0.973 -23.404
  875    H    ASP 115           H        ASP 115  12.415   1.559 -23.354
  876    HA   ASP 115           HA       ASP 115  11.828   2.539 -20.644
  877   1HB   ASP 115          HB2       ASP 115  14.321   2.711 -21.138
  878   2HB   ASP 115          HB3       ASP 115  13.916   3.781 -22.474
  879    H    VAL 116           H        VAL 116  11.141   4.851 -20.792
  880    HA   VAL 116           HA       VAL 116   9.310   5.425 -23.055
  881    HB   VAL 116           HB       VAL 116   9.851   6.564 -20.280
  882   1HG1  VAL 116          HG11      VAL 116   9.235   8.524 -21.604
  883   2HG1  VAL 116          HG12      VAL 116   7.794   7.687 -22.207
  884   3HG1  VAL 116          HG13      VAL 116   7.950   8.081 -20.492
  885   1HG2  VAL 116          HG21      VAL 116   7.490   5.850 -19.893
  886   2HG2  VAL 116          HG22      VAL 116   7.425   5.208 -21.540
  887   3HG2  VAL 116          HG23      VAL 116   8.533   4.497 -20.341
  888    H    LEU 117           H        LEU 117   9.509   7.754 -23.924
  889    HA   LEU 117           HA       LEU 117  11.943   8.482 -25.046
  890   1HB   LEU 117          HB2       LEU 117   9.475   9.328 -25.354
  891   2HB   LEU 117          HB3       LEU 117   9.832  10.436 -24.055
  892    HG   LEU 117           HG       LEU 117   9.976  11.544 -26.156
  893   1HD1  LEU 117          HD11      LEU 117  12.077  12.593 -26.130
  894   2HD1  LEU 117          HD12      LEU 117  11.742  12.152 -24.451
  895   3HD1  LEU 117          HD13      LEU 117  12.894  11.199 -25.419
  896   1HD2  LEU 117          HD21      LEU 117  11.469  10.924 -27.974
  897   2HD2  LEU 117          HD22      LEU 117  12.080   9.532 -27.060
  898   3HD2  LEU 117          HD23      LEU 117  10.386   9.578 -27.593
  899    H    ASP 118           H        ASP 118  13.773   9.477 -24.219
  900    HA   ASP 118           HA       ASP 118  13.825  10.297 -21.361
  901   1HB   ASP 118          HB2       ASP 118  15.495   8.687 -21.787
  902   2HB   ASP 118          HB3       ASP 118  16.021   9.508 -23.263
  903    HA   PRO 119           HA       PRO 119  13.907  14.308 -23.478
  904   1HB   PRO 119          HB2       PRO 119  12.578  15.826 -21.701
  905   2HB   PRO 119          HB3       PRO 119  11.737  14.531 -22.580
  906   1HG   PRO 119          HG2       PRO 119  12.961  14.381 -19.792
  907   2HG   PRO 119          HG3       PRO 119  11.290  13.956 -20.271
  908   1HD   PRO 119          HD2       PRO 119  13.313  12.098 -20.105
  909   2HD   PRO 119          HD3       PRO 119  12.017  11.980 -21.333
  910    H    PHE 120           H        PHE 120  15.746  13.328 -20.755
  911    HA   PHE 120           HA       PHE 120  16.237  15.732 -19.454
  912   1HB   PHE 120          HB2       PHE 120  16.841  13.493 -18.635
  913   2HB   PHE 120          HB3       PHE 120  18.145  13.401 -19.810
  914    HD1  PHE 120           HD1      PHE 120  16.886  15.662 -17.030
  915    HD2  PHE 120           HD2      PHE 120  20.306  14.024 -19.105
  916    HE1  PHE 120           HE1      PHE 120  18.396  16.719 -15.386
  917    HE2  PHE 120           HE2      PHE 120  21.810  15.101 -17.454
  918    HZ   PHE 120           HZ       PHE 120  20.860  16.447 -15.588
  919    H    GLY 121           H        GLY 121  17.027  17.582 -20.140
  920   1HA   GLY 121          HA2       GLY 121  18.734  19.010 -20.890
  921   2HA   GLY 121          HA3       GLY 121  19.392  17.728 -21.909
  922    H    GLY 122           H        GLY 122  16.074  17.637 -22.480
  923   1HA   GLY 122          HA2       GLY 122  16.393  18.917 -25.079
  924   2HA   GLY 122          HA3       GLY 122  15.031  17.972 -24.478
  925    H    SER 123           H        SER 123  14.182  19.942 -25.847
  926    HA   SER 123           HA       SER 123  13.692  22.407 -24.339
  927   1HB   SER 123          HB2       SER 123  12.424  21.347 -26.905
  928   2HB   SER 123          HB3       SER 123  12.374  23.011 -26.297
  929    HG   SER 123           HG       SER 123  13.961  22.728 -27.926
  930    H    ILE 124           H        ILE 124  11.279  22.983 -24.024
  931    HA   ILE 124           HA       ILE 124  10.032  21.187 -22.297
  932    HB   ILE 124           HB       ILE 124   9.553  23.508 -22.182
  933   1HG1  ILE 124          HG12      ILE 124   7.110  23.636 -22.125
  934   2HG1  ILE 124          HG13      ILE 124   6.966  22.181 -23.102
  935   1HG2  ILE 124          HG21      ILE 124   9.803  24.199 -24.537
  936   2HG2  ILE 124          HG22      ILE 124   8.269  23.393 -24.942
  937   3HG2  ILE 124          HG23      ILE 124   8.294  24.786 -23.854
  938   1HD1  ILE 124          HD11      ILE 124   8.196  22.305 -20.314
  939   2HD1  ILE 124          HD12      ILE 124   6.540  21.782 -20.701
  940   3HD1  ILE 124          HD13      ILE 124   7.914  20.830 -21.264
  941    H    ASP 125           H        ASP 125   9.615  21.498 -25.798
  942    HA   ASP 125           HA       ASP 125   7.327  19.835 -25.966
  943   1HB   ASP 125          HB2       ASP 125   8.097  21.277 -27.817
  944   2HB   ASP 125          HB3       ASP 125   9.478  20.198 -28.074
  945    H    ILE 126           H        ILE 126  10.736  18.974 -25.589
  946    HA   ILE 126           HA       ILE 126  10.361  16.205 -26.399
  947    HB   ILE 126           HB       ILE 126  12.587  17.257 -24.646
  948   1HG1  ILE 126          HG12      ILE 126  12.612  18.757 -26.552
  949   2HG1  ILE 126          HG13      ILE 126  13.945  17.628 -26.677
  950   1HG2  ILE 126          HG21      ILE 126  12.356  14.796 -24.917
  951   2HG2  ILE 126          HG22      ILE 126  12.464  14.967 -26.665
  952   3HG2  ILE 126          HG23      ILE 126  13.855  15.402 -25.648
  953   1HD1  ILE 126          HD11      ILE 126  11.337  17.438 -28.260
  954   2HD1  ILE 126          HD12      ILE 126  12.882  18.065 -28.855
  955   3HD1  ILE 126          HD13      ILE 126  12.741  16.356 -28.425
  956    H    TYR 127           H        TYR 127  10.268  18.063 -23.363
  957    HA   TYR 127           HA       TYR 127   9.737  15.743 -21.729
  958   1HB   TYR 127          HB2       TYR 127   9.316  18.697 -21.182
  959   2HB   TYR 127          HB3       TYR 127   8.947  17.425 -20.031
  960    HD1  TYR 127           HD1      TYR 127  11.714  18.985 -21.945
  961    HD2  TYR 127           HD2      TYR 127  10.675  16.380 -18.704
  962    HE1  TYR 127           HE1      TYR 127  14.053  19.074 -21.148
  963    HE2  TYR 127           HE2      TYR 127  13.019  16.449 -17.888
  964    HH   TYR 127           HH       TYR 127  15.443  18.649 -19.342
  965    H    LYS 128           H        LYS 128   7.723  18.024 -23.575
  966    HA   LYS 128           HA       LYS 128   5.306  17.013 -22.425
  967   1HB   LYS 128          HB2       LYS 128   4.214  18.614 -23.519
  968   2HB   LYS 128          HB3       LYS 128   5.811  19.257 -23.757
  969   1HG   LYS 128          HG2       LYS 128   4.985  19.488 -25.862
  970   2HG   LYS 128          HG3       LYS 128   5.694  17.889 -26.054
  971   1HD   LYS 128          HD2       LYS 128   3.370  16.955 -25.432
  972   2HD   LYS 128          HD3       LYS 128   2.780  18.609 -25.581
  973   1HE   LYS 128          HE2       LYS 128   4.089  16.903 -27.756
  974   2HE   LYS 128          HE3       LYS 128   2.379  17.318 -27.634
  975   1HZ   LYS 128          HZ1       LYS 128   3.388  18.735 -29.220
  976   2HZ   LYS 128          HZ2       LYS 128   3.075  19.681 -27.931
  977   3HZ   LYS 128          HZ3       LYS 128   4.616  19.165 -28.244
  978    H    GLN 129           H        GLN 129   7.153  16.044 -25.304
  979    HA   GLN 129           HA       GLN 129   5.311  14.042 -26.166
  980   1HB   GLN 129          HB2       GLN 129   8.350  14.267 -26.395
  981   2HB   GLN 129          HB3       GLN 129   7.435  12.935 -27.097
  982   1HG   GLN 129          HG2       GLN 129   6.195  14.465 -28.549
  983   2HG   GLN 129          HG3       GLN 129   6.970  15.860 -27.812
  984   1HE2  GLN 129          HE22      GLN 129   8.458  16.713 -29.320
  985   2HE2  GLN 129          HE21      GLN 129   9.570  15.717 -30.235
  986    H    THR 130           H        THR 130   7.978  14.015 -23.819
  987    HA   THR 130           HA       THR 130   7.809  11.276 -23.134
  988    HB   THR 130           HB       THR 130   8.693  13.653 -21.431
  989    HG1  THR 130           HG1      THR 130   9.877  13.525 -23.315
  990   1HG2  THR 130          HG21      THR 130   8.355  11.659 -20.024
  991   2HG2  THR 130          HG22      THR 130   9.329  10.699 -21.154
  992   3HG2  THR 130          HG23      THR 130  10.071  12.007 -20.210
  993    H    ARG 131           H        ARG 131   6.170  14.116 -21.681
  994    HA   ARG 131           HA       ARG 131   5.087  12.572 -19.561
  995   1HB   ARG 131          HB2       ARG 131   4.065  14.466 -18.784
  996   2HB   ARG 131          HB3       ARG 131   5.334  15.176 -19.777
  997   1HG   ARG 131          HG2       ARG 131   3.543  15.245 -21.654
  998   2HG   ARG 131          HG3       ARG 131   2.374  14.865 -20.389
  999   1HD   ARG 131          HD2       ARG 131   2.966  16.949 -19.218
 1000   2HD   ARG 131          HD3       ARG 131   4.190  17.306 -20.452
 1001    HE   ARG 131           HE       ARG 131   2.178  17.071 -22.089
 1002   1HH1  ARG 131          HH21      ARG 131   2.174  18.869 -19.008
 1003   2HH1  ARG 131          HH22      ARG 131   0.655  19.628 -19.345
 1004   1HH2  ARG 131          HH11      ARG 131   0.318  18.290 -22.595
 1005   2HH2  ARG 131          HH12      ARG 131  -0.311  19.438 -21.484
 1006    H    ASP 132           H        ASP 132   3.930  13.130 -22.853
 1007    HA   ASP 132           HA       ASP 132   1.287  12.131 -22.391
 1008   1HB   ASP 132          HB2       ASP 132   1.807  13.498 -24.350
 1009   2HB   ASP 132          HB3       ASP 132   2.961  12.292 -24.926
 1010    H    GLU 133           H        GLU 133   4.337  10.581 -23.436
 1011    HA   GLU 133           HA       GLU 133   3.112   7.993 -23.807
 1012   1HB   GLU 133          HB2       GLU 133   5.240   8.610 -24.924
 1013   2HB   GLU 133          HB3       GLU 133   6.029   8.807 -23.355
 1014   1HG   GLU 133          HG2       GLU 133   5.662   6.385 -22.875
 1015   2HG   GLU 133          HG3       GLU 133   4.841   6.205 -24.428
 1016    H    LEU 134           H        LEU 134   4.851   9.613 -21.220
 1017    HA   LEU 134           HA       LEU 134   5.021   7.474 -19.414
 1018   1HB   LEU 134          HB2       LEU 134   6.311   9.656 -19.430
 1019   2HB   LEU 134          HB3       LEU 134   4.852  10.464 -18.851
 1020    HG   LEU 134           HG       LEU 134   4.978   9.161 -16.756
 1021   1HD1  LEU 134          HD11      LEU 134   6.132   7.117 -17.517
 1022   2HD1  LEU 134          HD12      LEU 134   7.570   8.072 -17.955
 1023   3HD1  LEU 134          HD13      LEU 134   7.093   7.893 -16.257
 1024   1HD2  LEU 134          HD21      LEU 134   7.516  10.653 -17.565
 1025   2HD2  LEU 134          HD22      LEU 134   6.045  11.363 -16.885
 1026   3HD2  LEU 134          HD23      LEU 134   7.044  10.289 -15.898
 1027    H    GLU 135           H        GLU 135   2.469   9.963 -19.853
 1028    HA   GLU 135           HA       GLU 135   0.944   9.125 -17.609
 1029   1HB   GLU 135          HB2       GLU 135   0.642  11.303 -18.897
 1030   2HB   GLU 135          HB3       GLU 135  -0.145  10.356 -20.170
 1031   1HG   GLU 135          HG2       GLU 135  -1.698   9.513 -18.204
 1032   2HG   GLU 135          HG3       GLU 135  -1.043  10.876 -17.313
 1033    H    GLU 136           H        GLU 136   0.933   8.057 -21.020
 1034    HA   GLU 136           HA       GLU 136  -1.392   6.429 -20.715
 1035   1HB   GLU 136          HB2       GLU 136  -0.508   7.210 -22.904
 1036   2HB   GLU 136          HB3       GLU 136   0.906   6.162 -22.709
 1037   1HG   GLU 136          HG2       GLU 136  -0.557   4.166 -22.707
 1038   2HG   GLU 136          HG3       GLU 136  -1.987   5.196 -22.803
 1039    H    LEU 137           H        LEU 137   2.077   5.795 -20.345
 1040    HA   LEU 137           HA       LEU 137   1.838   3.007 -19.831
 1041   1HB   LEU 137          HB2       LEU 137   3.940   4.354 -20.459
 1042   2HB   LEU 137          HB3       LEU 137   3.943   4.946 -18.796
 1043    HG   LEU 137           HG       LEU 137   3.857   2.415 -18.129
 1044   1HD1  LEU 137          HD11      LEU 137   4.909   2.227 -21.001
 1045   2HD1  LEU 137          HD12      LEU 137   4.991   0.928 -19.799
 1046   3HD1  LEU 137          HD13      LEU 137   3.420   1.487 -20.401
 1047   1HD2  LEU 137          HD21      LEU 137   6.373   3.524 -19.406
 1048   2HD2  LEU 137          HD22      LEU 137   5.768   3.923 -17.781
 1049   3HD2  LEU 137          HD23      LEU 137   6.252   2.261 -18.152
 1050    H    LEU 138           H        LEU 138   1.870   5.870 -17.705
 1051    HA   LEU 138           HA       LEU 138   1.845   4.319 -15.291
 1052   1HB   LEU 138          HB2       LEU 138   1.337   7.242 -15.884
 1053   2HB   LEU 138          HB3       LEU 138   1.250   6.593 -14.259
 1054    HG   LEU 138           HG       LEU 138   3.741   6.421 -16.024
 1055   1HD1  LEU 138          HD11      LEU 138   3.168   8.725 -15.385
 1056   2HD1  LEU 138          HD12      LEU 138   3.130   8.242 -13.666
 1057   3HD1  LEU 138          HD13      LEU 138   4.643   8.156 -14.593
 1058   1HD2  LEU 138          HD21      LEU 138   4.943   5.902 -13.932
 1059   2HD2  LEU 138          HD22      LEU 138   3.392   5.733 -13.093
 1060   3HD2  LEU 138          HD23      LEU 138   3.834   4.638 -14.429
 1061    H    ARG 139           H        ARG 139  -0.698   5.518 -17.412
 1062    HA   ARG 139           HA       ARG 139  -2.831   4.905 -15.573
 1063   1HB   ARG 139          HB2       ARG 139  -2.686   5.311 -18.574
 1064   2HB   ARG 139          HB3       ARG 139  -4.188   4.809 -17.781
 1065   1HG   ARG 139          HG2       ARG 139  -4.328   6.791 -16.470
 1066   2HG   ARG 139          HG3       ARG 139  -2.646   7.214 -16.752
 1067   1HD   ARG 139          HD2       ARG 139  -4.054   8.710 -17.969
 1068   2HD   ARG 139          HD3       ARG 139  -3.094   7.731 -19.093
 1069    HE   ARG 139           HE       ARG 139  -5.529   6.399 -18.802
 1070   1HH1  ARG 139          HH21      ARG 139  -4.532   9.664 -19.922
 1071   2HH1  ARG 139          HH22      ARG 139  -5.807   9.763 -21.083
 1072   1HH2  ARG 139          HH11      ARG 139  -7.223   6.599 -20.340
 1073   2HH2  ARG 139          HH12      ARG 139  -7.369   8.015 -21.307
 1074    H    GLN 140           H        GLN 140  -0.975   2.954 -17.935
 1075    HA   GLN 140           HA       GLN 140  -2.541   0.609 -17.376
 1076   1HB   GLN 140          HB2       GLN 140   0.280   0.741 -18.455
 1077   2HB   GLN 140          HB3       GLN 140  -0.746  -0.701 -18.346
 1078   1HG   GLN 140          HG2       GLN 140  -2.419   0.503 -19.835
 1079   2HG   GLN 140          HG3       GLN 140  -1.169   1.718 -20.125
 1080   1HE2  GLN 140          HE22      GLN 140   0.919   0.947 -21.142
 1081   2HE2  GLN 140          HE21      GLN 140   0.911  -0.509 -22.102
 1082    H    LEU 141           H        LEU 141   0.329   2.056 -15.783
 1083    HA   LEU 141           HA       LEU 141   0.733  -0.079 -13.940
 1084   1HB   LEU 141          HB2       LEU 141   1.223   2.898 -13.686
 1085   2HB   LEU 141          HB3       LEU 141   1.184   1.917 -12.239
 1086    HG   LEU 141           HG       LEU 141   2.943   0.460 -13.179
 1087   1HD1  LEU 141          HD11      LEU 141   4.344   1.231 -15.000
 1088   2HD1  LEU 141          HD12      LEU 141   2.684   0.984 -15.564
 1089   3HD1  LEU 141          HD13      LEU 141   3.281   2.623 -15.282
 1090   1HD2  LEU 141          HD21      LEU 141   3.422   3.380 -12.592
 1091   2HD2  LEU 141          HD22      LEU 141   3.559   1.991 -11.514
 1092   3HD2  LEU 141          HD23      LEU 141   4.752   2.224 -12.800
 1093    H    ALA 142           H        ALA 142  -1.552   2.644 -13.781
 1094    HA   ALA 142           HA       ALA 142  -2.662   1.908 -11.276
 1095   1HB   ALA 142          HB1       ALA 142  -2.951   4.136 -12.272
 1096   2HB   ALA 142          HB2       ALA 142  -3.962   3.460 -13.567
 1097   3HB   ALA 142          HB3       ALA 142  -4.525   3.416 -11.886
 1098    H    LYS 143           H        LYS 143  -3.546   1.022 -14.592
 1099    HA   LYS 143           HA       LYS 143  -5.857  -0.510 -14.063
 1100   1HB   LYS 143          HB2       LYS 143  -5.079   0.207 -16.300
 1101   2HB   LYS 143          HB3       LYS 143  -3.703  -0.891 -16.178
 1102   1HG   LYS 143          HG2       LYS 143  -5.228  -2.836 -16.151
 1103   2HG   LYS 143          HG3       LYS 143  -6.614  -1.732 -16.320
 1104   1HD   LYS 143          HD2       LYS 143  -5.656  -0.857 -18.436
 1105   2HD   LYS 143          HD3       LYS 143  -4.267  -1.934 -18.291
 1106   1HE   LYS 143          HE2       LYS 143  -7.178  -2.857 -18.505
 1107   2HE   LYS 143          HE3       LYS 143  -6.094  -2.679 -19.885
 1108   1HZ   LYS 143          HZ1       LYS 143  -4.649  -4.361 -18.913
 1109   2HZ   LYS 143          HZ2       LYS 143  -5.657  -4.554 -17.634
 1110   3HZ   LYS 143          HZ3       LYS 143  -6.148  -4.951 -19.136
 1111    H    GLN 144           H        GLN 144  -2.415  -1.495 -14.088
 1112    HA   GLN 144           HA       GLN 144  -2.955  -4.224 -13.410
 1113   1HB   GLN 144          HB2       GLN 144  -0.431  -2.539 -13.111
 1114   2HB   GLN 144          HB3       GLN 144  -0.532  -4.243 -12.661
 1115   1HG   GLN 144          HG2       GLN 144  -1.309  -4.763 -15.014
 1116   2HG   GLN 144          HG3       GLN 144  -0.939  -3.094 -15.453
 1117   1HE2  GLN 144          HE22      GLN 144   1.373  -2.378 -15.246
 1118   2HE2  GLN 144          HE21      GLN 144   2.645  -3.600 -15.298
 1119    H    LEU 145           H        LEU 145  -1.892  -1.441 -11.336
 1120    HA   LEU 145           HA       LEU 145  -1.820  -3.048  -8.998
 1121   1HB   LEU 145          HB2       LEU 145  -1.991  -0.037  -9.354
 1122   2HB   LEU 145          HB3       LEU 145  -1.795  -0.814  -7.786
 1123    HG   LEU 145           HG       LEU 145   0.171  -1.094 -10.102
 1124   1HD1  LEU 145          HD11      LEU 145   0.374   0.500  -7.515
 1125   2HD1  LEU 145          HD12      LEU 145   1.641   0.331  -8.753
 1126   3HD1  LEU 145          HD13      LEU 145   0.140   1.169  -9.145
 1127   1HD2  LEU 145          HD21      LEU 145   0.339  -3.081  -8.724
 1128   2HD2  LEU 145          HD22      LEU 145   1.693  -2.025  -8.323
 1129   3HD2  LEU 145          HD23      LEU 145   0.298  -2.111  -7.230
 1130    H    LYS 146           H        LYS 146  -4.554  -1.207 -10.387
 1131    HA   LYS 146           HA       LYS 146  -6.308  -1.581  -8.131
 1132   1HB   LYS 146          HB2       LYS 146  -6.675  -1.140 -11.107
 1133   2HB   LYS 146          HB3       LYS 146  -8.063  -1.629 -10.147
 1134   1HG   LYS 146          HG2       LYS 146  -6.403   0.856  -9.615
 1135   2HG   LYS 146          HG3       LYS 146  -7.916   0.797 -10.511
 1136   1HD   LYS 146          HD2       LYS 146  -9.035  -0.156  -8.433
 1137   2HD   LYS 146          HD3       LYS 146  -7.535   0.201  -7.541
 1138   1HE   LYS 146          HE2       LYS 146  -7.702   2.586  -8.259
 1139   2HE   LYS 146          HE3       LYS 146  -9.177   2.205  -9.148
 1140   1HZ   LYS 146          HZ1       LYS 146  -8.864   2.155  -6.207
 1141   2HZ   LYS 146          HZ2       LYS 146  -9.717   3.198  -7.113
 1142   3HZ   LYS 146          HZ3       LYS 146 -10.216   1.636  -7.003
 1143    H    LYS 147           H        LYS 147  -5.512  -3.673 -10.964
 1144    HA   LYS 147           HA       LYS 147  -7.495  -5.635 -10.280
 1145   1HB   LYS 147          HB2       LYS 147  -6.571  -5.339 -12.555
 1146   2HB   LYS 147          HB3       LYS 147  -4.985  -5.900 -12.002
 1147   1HG   LYS 147          HG2       LYS 147  -5.920  -8.099 -11.423
 1148   2HG   LYS 147          HG3       LYS 147  -7.541  -7.567 -11.874
 1149   1HD   LYS 147          HD2       LYS 147  -5.143  -7.751 -13.752
 1150   2HD   LYS 147          HD3       LYS 147  -6.383  -8.987 -13.600
 1151   1HE   LYS 147          HE2       LYS 147  -6.877  -6.120 -14.532
 1152   2HE   LYS 147          HE3       LYS 147  -6.667  -7.514 -15.592
 1153   1HZ   LYS 147          HZ1       LYS 147  -8.880  -7.197 -13.646
 1154   2HZ   LYS 147          HZ2       LYS 147  -8.994  -7.042 -15.263
 1155   3HZ   LYS 147          HZ3       LYS 147  -8.657  -8.496 -14.616
 1156    H    ASP 148           H        ASP 148  -3.924  -5.440  -9.687
 1157    HA   ASP 148           HA       ASP 148  -4.167  -7.229  -7.359
 1158   1HB   ASP 148          HB2       ASP 148  -4.049  -8.857  -9.174
 1159   2HB   ASP 148          HB3       ASP 148  -2.723  -7.976  -9.939
 1160    H    ARG 149           H        ARG 149  -2.490  -6.888  -5.931
 1161    HA   ARG 149           HA       ARG 149  -0.503  -4.813  -6.490
 1162   1HB   ARG 149          HB2       ARG 149  -1.593  -5.135  -4.252
 1163   2HB   ARG 149          HB3       ARG 149  -0.754  -6.679  -4.089
 1164   1HG   ARG 149          HG2       ARG 149   1.443  -5.420  -4.360
 1165   2HG   ARG 149          HG3       ARG 149   0.524  -3.911  -4.350
 1166   1HD   ARG 149          HD2       ARG 149   0.624  -5.991  -2.126
 1167   2HD   ARG 149          HD3       ARG 149   1.485  -4.445  -2.131
 1168    HE   ARG 149           HE       ARG 149  -1.133  -3.694  -2.474
 1169   1HH1  ARG 149          HH11      ARG 149   0.504  -5.685  -0.034
 1170   2HH1  ARG 149          HH12      ARG 149  -0.637  -5.351   1.214
 1171   1HH2  ARG 149          HH21      ARG 149  -2.663  -3.250  -0.810
 1172   2HH2  ARG 149          HH22      ARG 149  -2.469  -3.926   0.760
 1173    H    ARG 150           H        ARG 150   0.498  -5.704  -8.307
 1174    HA   ARG 150           HA       ARG 150   1.580  -8.212  -8.720
 1175   1HB   ARG 150          HB2       ARG 150   2.848  -5.554  -9.455
 1176   2HB   ARG 150          HB3       ARG 150   3.233  -7.084 -10.212
 1177   1HG   ARG 150          HG2       ARG 150   0.421  -5.891 -10.354
 1178   2HG   ARG 150          HG3       ARG 150   1.704  -5.426 -11.454
 1179   1HD   ARG 150          HD2       ARG 150   0.337  -7.103 -12.509
 1180   2HD   ARG 150          HD3       ARG 150   1.971  -7.723 -12.234
 1181    HE   ARG 150           HE       ARG 150   0.015  -8.391 -10.139
 1182   1HH1  ARG 150          HH21      ARG 150   1.422  -9.503 -13.223
 1183   2HH1  ARG 150          HH22      ARG 150   1.062 -11.163 -12.920
 1184   1HH2  ARG 150          HH11      ARG 150  -0.432 -10.460  -9.754
 1185   2HH2  ARG 150          HH12      ARG 150  -0.043 -11.758 -10.869
  Start of MODEL    5
    1   1H    MET   1           H1       MET   1   2.648  -0.539   0.558
    2   2H    MET   1           H2       MET   1   1.360   0.202  -0.120
    3   3H    MET   1           H3       MET   1   1.481  -1.436  -0.165
    4    HA   MET   1           HA       MET   1   3.441  -1.294  -1.556
    5   1HB   MET   1          HB2       MET   1   1.255  -1.547  -2.652
    6   2HB   MET   1          HB3       MET   1   1.021   0.204  -2.668
    7   1HG   MET   1          HG2       MET   1   1.762  -0.743  -4.840
    8   2HG   MET   1          HG3       MET   1   2.849   0.499  -4.239
    9   1HE   MET   1          HE1       MET   1   2.652  -2.633  -6.041
   10   2HE   MET   1          HE2       MET   1   3.700  -1.305  -6.606
   11   3HE   MET   1          HE3       MET   1   4.391  -2.907  -6.228
   12    H    ASP   2           H        ASP   2   5.266  -0.091  -1.978
   13    HA   ASP   2           HA       ASP   2   5.076   2.834  -2.057
   14   1HB   ASP   2          HB2       ASP   2   5.665   2.447   0.234
   15   2HB   ASP   2          HB3       ASP   2   6.916   1.297  -0.231
   16    H    ILE   3           H        ILE   3   6.118   3.492  -3.863
   17    HA   ILE   3           HA       ILE   3   7.795   1.498  -5.279
   18    HB   ILE   3           HB       ILE   3   6.181   3.694  -6.562
   19   1HG1  ILE   3          HG12      ILE   3   5.207   0.839  -6.149
   20   2HG1  ILE   3          HG13      ILE   3   4.593   2.256  -5.307
   21   1HG2  ILE   3          HG21      ILE   3   7.946   2.859  -7.965
   22   2HG2  ILE   3          HG22      ILE   3   7.448   1.184  -7.689
   23   3HG2  ILE   3          HG23      ILE   3   6.416   2.302  -8.609
   24   1HD1  ILE   3          HD11      ILE   3   3.035   1.782  -6.994
   25   2HD1  ILE   3          HD12      ILE   3   3.884   3.243  -7.505
   26   3HD1  ILE   3          HD13      ILE   3   4.272   1.674  -8.257
   27    H    ILE   4           H        ILE   4   9.874   2.169  -5.958
   28    HA   ILE   4           HA       ILE   4  10.515   5.070  -5.715
   29    HB   ILE   4           HB       ILE   4  12.470   2.750  -5.721
   30   1HG1  ILE   4          HG12      ILE   4  11.707   4.427  -3.299
   31   2HG1  ILE   4          HG13      ILE   4  11.016   2.839  -3.634
   32   1HG2  ILE   4          HG21      ILE   4  13.352   4.918  -6.602
   33   2HG2  ILE   4          HG22      ILE   4  12.881   5.714  -5.088
   34   3HG2  ILE   4          HG23      ILE   4  14.133   4.457  -5.109
   35   1HD1  ILE   4          HD11      ILE   4  13.965   3.390  -3.194
   36   2HD1  ILE   4          HD12      ILE   4  12.853   2.590  -2.090
   37   3HD1  ILE   4          HD13      ILE   4  13.273   1.815  -3.623
   38    H    PHE   5           H        PHE   5  10.511   6.042  -7.639
   39    HA   PHE   5           HA       PHE   5  11.071   4.590 -10.127
   40   1HB   PHE   5          HB2       PHE   5  10.411   7.502  -9.443
   41   2HB   PHE   5          HB3       PHE   5  10.767   6.955 -11.070
   42    HD1  PHE   5           HD1      PHE   5   9.267   5.010 -12.037
   43    HD2  PHE   5           HD2      PHE   5   8.175   7.459  -8.652
   44    HE1  PHE   5           HE1      PHE   5   6.875   4.471 -12.411
   45    HE2  PHE   5           HE2      PHE   5   5.786   6.879  -9.017
   46    HZ   PHE   5           HZ       PHE   5   5.132   5.397 -10.899
   47    H    VAL   6           H        VAL   6  13.163   4.606 -11.053
   48    HA   VAL   6           HA       VAL   6  15.150   6.450  -9.924
   49    HB   VAL   6           HB       VAL   6  15.190   4.768  -8.315
   50   1HG1  VAL   6          HG11      VAL   6  15.323   2.643 -10.472
   51   2HG1  VAL   6          HG12      VAL   6  15.470   2.375  -8.724
   52   3HG1  VAL   6          HG13      VAL   6  13.951   2.968  -9.385
   53   1HG2  VAL   6          HG21      VAL   6  17.425   5.436  -9.012
   54   2HG2  VAL   6          HG22      VAL   6  17.416   3.761  -8.479
   55   3HG2  VAL   6          HG23      VAL   6  17.489   4.115 -10.203
   56    H    CYS   7           H        CYS   7  16.815   6.995 -11.070
   57    HA   CYS   7           HA       CYS   7  17.507   5.555 -13.547
   58   1HB   CYS   7          HB2       CYS   7  17.410   8.588 -13.419
   59   2HB   CYS   7          HB3       CYS   7  17.760   7.577 -14.819
   60    HG   CYS   7           HG       CYS   7  14.911   7.996 -13.161
   61    H    THR   8           H        THR   8  19.816   6.641 -14.341
   62    HA   THR   8           HA       THR   8  21.668   6.847 -12.109
   63    HB   THR   8           HB       THR   8  23.054   7.923 -14.076
   64    HG1  THR   8           HG1      THR   8  22.245   7.534 -16.078
   65   1HG2  THR   8          HG21      THR   8  23.452   5.608 -15.052
   66   2HG2  THR   8          HG22      THR   8  23.597   5.726 -13.293
   67   3HG2  THR   8          HG23      THR   8  22.138   5.021 -14.001
   68    H    GLY   9           H        GLY   9  20.213   9.175 -14.397
   69   1HA   GLY   9          HA2       GLY   9  20.718  11.437 -12.534
   70   2HA   GLY   9          HA3       GLY   9  20.553  11.500 -14.302
   71    H    ASN  10           H        ASN  10  18.781  10.552 -11.372
   72    HA   ASN  10           HA       ASN  10  16.329   9.974 -12.141
   73   1HB   ASN  10          HB2       ASN  10  15.548  10.537  -9.965
   74   2HB   ASN  10          HB3       ASN  10  17.229  10.051  -9.796
   75   1HD2  ASN  10          HD22      ASN  10  15.026  12.402  -8.720
   76   2HD2  ASN  10          HD21      ASN  10  16.181  13.672  -8.406
   77    H    THR  11           H        THR  11  17.506  13.331 -12.164
   78    HA   THR  11           HA       THR  11  15.014  14.653 -12.177
   79    HB   THR  11           HB       THR  11  16.498  16.513 -13.170
   80    HG1  THR  11           HG1      THR  11  18.693  16.053 -13.229
   81   1HG2  THR  11          HG21      THR  11  17.734  16.800 -11.065
   82   2HG2  THR  11          HG22      THR  11  16.107  16.186 -10.711
   83   3HG2  THR  11          HG23      THR  11  17.502  15.091 -10.658
   84    H    CYS  12           H        CYS  12  16.480  12.744 -14.734
   85    HA   CYS  12           HA       CYS  12  15.520  14.147 -16.977
   86   1HB   CYS  12          HB2       CYS  12  15.647  12.001 -18.163
   87   2HB   CYS  12          HB3       CYS  12  17.095  12.316 -17.198
   88    HG   CYS  12           HG       CYS  12  16.567   9.773 -17.157
   89    H    ARG  13           H        ARG  13  13.806  11.607 -15.056
   90    HA   ARG  13           HA       ARG  13  11.373  13.064 -15.439
   91   1HB   ARG  13          HB2       ARG  13  10.057  11.760 -16.794
   92   2HB   ARG  13          HB3       ARG  13  11.580  11.769 -17.656
   93   1HG   ARG  13          HG2       ARG  13  12.061   9.472 -16.669
   94   2HG   ARG  13          HG3       ARG  13  10.434   9.508 -15.970
   95   1HD   ARG  13          HD2       ARG  13   9.935   8.416 -17.916
   96   2HD   ARG  13          HD3       ARG  13   9.654  10.069 -18.433
   97    HE   ARG  13           HE       ARG  13  11.409   9.882 -19.927
   98   1HH1  ARG  13          HH21      ARG  13  11.558   7.169 -17.638
   99   2HH1  ARG  13          HH22      ARG  13  12.631   6.246 -18.660
  100   1HH2  ARG  13          HH11      ARG  13  13.004   8.693 -21.083
  101   2HH2  ARG  13          HH12      ARG  13  13.658   7.207 -20.437
  102    H    SER  14           H        SER  14  13.124  10.905 -13.417
  103    HA   SER  14           HA       SER  14  11.128   9.223 -12.461
  104   1HB   SER  14          HB2       SER  14  13.276  10.563 -10.791
  105   2HB   SER  14          HB3       SER  14  12.360   9.105 -10.385
  106    HG   SER  14           HG       SER  14  14.321   8.522 -11.240
  107    HA   PRO  15           HA       PRO  15   9.449  12.408  -9.427
  108   1HB   PRO  15          HB2       PRO  15   9.888  15.071  -9.577
  109   2HB   PRO  15          HB3       PRO  15  10.996  13.936  -8.756
  110   1HG   PRO  15          HG2       PRO  15  11.237  15.015 -11.588
  111   2HG   PRO  15          HG3       PRO  15  12.494  15.000 -10.311
  112   1HD   PRO  15          HD2       PRO  15  12.373  13.068 -12.195
  113   2HD   PRO  15          HD3       PRO  15  12.802  12.668 -10.507
  114    H    MET  16           H        MET  16   9.623  13.231 -12.886
  115    HA   MET  16           HA       MET  16   7.029  14.477 -13.033
  116   1HB   MET  16          HB2       MET  16   8.503  12.820 -15.140
  117   2HB   MET  16          HB3       MET  16   7.042  13.739 -15.406
  118   1HG   MET  16          HG2       MET  16   8.187  15.830 -15.070
  119   2HG   MET  16          HG3       MET  16   9.632  15.009 -14.480
  120   1HE   MET  16          HE1       MET  16   7.312  15.512 -17.665
  121   2HE   MET  16          HE2       MET  16   8.303  14.778 -18.942
  122   3HE   MET  16          HE3       MET  16   7.555  13.740 -17.712
  123    H    ALA  17           H        ALA  17   8.281  11.149 -13.384
  124    HA   ALA  17           HA       ALA  17   5.763   9.967 -13.879
  125   1HB   ALA  17          HB1       ALA  17   6.904   7.827 -13.457
  126   2HB   ALA  17          HB2       ALA  17   8.011   8.889 -14.361
  127   3HB   ALA  17          HB3       ALA  17   8.222   8.652 -12.615
  128    H    GLU  18           H        GLU  18   7.554  10.511 -10.875
  129    HA   GLU  18           HA       GLU  18   5.749   9.236  -9.136
  130   1HB   GLU  18          HB2       GLU  18   8.072  10.118  -8.632
  131   2HB   GLU  18          HB3       GLU  18   7.409  11.757  -8.655
  132   1HG   GLU  18          HG2       GLU  18   5.809  10.911  -6.793
  133   2HG   GLU  18          HG3       GLU  18   6.925   9.534  -6.678
  134    H    ALA  19           H        ALA  19   5.789  12.623 -10.288
  135    HA   ALA  19           HA       ALA  19   3.548  13.349  -8.654
  136   1HB   ALA  19          HB1       ALA  19   3.700  15.474  -9.767
  137   2HB   ALA  19          HB2       ALA  19   5.343  14.899  -9.533
  138   3HB   ALA  19          HB3       ALA  19   4.591  14.773 -11.142
  139    H    LEU  20           H        LEU  20   3.889  12.280 -11.996
  140    HA   LEU  20           HA       LEU  20   1.158  12.764 -12.709
  141   1HB   LEU  20          HB2       LEU  20   3.394  12.326 -14.156
  142   2HB   LEU  20          HB3       LEU  20   2.779  10.689 -14.133
  143    HG   LEU  20           HG       LEU  20   1.541  13.213 -15.282
  144   1HD1  LEU  20          HD11      LEU  20   3.264  12.069 -16.627
  145   2HD1  LEU  20          HD12      LEU  20   2.284  10.586 -16.614
  146   3HD1  LEU  20          HD13      LEU  20   1.677  12.051 -17.402
  147   1HD2  LEU  20          HD21      LEU  20  -0.349  11.986 -14.315
  148   2HD2  LEU  20          HD22      LEU  20  -0.374  11.869 -16.069
  149   3HD2  LEU  20          HD23      LEU  20   0.210  10.492 -15.101
  150    H    PHE  21           H        PHE  21   2.971   9.926 -11.434
  151    HA   PHE  21           HA       PHE  21   0.692   8.211 -11.629
  152   1HB   PHE  21          HB2       PHE  21   3.054   7.349 -11.424
  153   2HB   PHE  21          HB3       PHE  21   3.013   7.799  -9.717
  154    HD1  PHE  21           HD1      PHE  21   1.272   5.764 -12.348
  155    HD2  PHE  21           HD2      PHE  21   1.848   6.336  -8.115
  156    HE1  PHE  21           HE1      PHE  21  -0.154   3.826 -11.900
  157    HE2  PHE  21           HE2      PHE  21   0.457   4.325  -7.681
  158    HZ   PHE  21           HZ       PHE  21  -0.590   3.099  -9.562
  159    H    LYS  22           H        LYS  22   1.952  10.308  -9.018
  160    HA   LYS  22           HA       LYS  22   0.051   9.528  -7.062
  161   1HB   LYS  22          HB2       LYS  22   1.530  12.144  -7.562
  162   2HB   LYS  22          HB3       LYS  22   0.360  11.985  -6.242
  163   1HG   LYS  22          HG2       LYS  22   1.597  10.111  -5.265
  164   2HG   LYS  22          HG3       LYS  22   2.694  10.094  -6.632
  165   1HD   LYS  22          HD2       LYS  22   3.811  11.124  -4.749
  166   2HD   LYS  22          HD3       LYS  22   3.578  12.299  -6.034
  167   1HE   LYS  22          HE2       LYS  22   3.153  13.338  -3.896
  168   2HE   LYS  22          HE3       LYS  22   1.654  13.282  -4.826
  169   1HZ   LYS  22          HZ1       LYS  22   1.321  12.660  -2.514
  170   2HZ   LYS  22          HZ2       LYS  22   0.971  11.383  -3.456
  171   3HZ   LYS  22          HZ3       LYS  22   2.380  11.432  -2.620
  172    H    SER  23           H        SER  23  -0.186  12.014  -9.618
  173    HA   SER  23           HA       SER  23  -2.808  12.794  -8.893
  174   1HB   SER  23          HB2       SER  23  -1.512  12.858 -11.649
  175   2HB   SER  23          HB3       SER  23  -2.886  13.841 -11.099
  176    HG   SER  23           HG       SER  23  -0.182  13.899 -10.202
  177    H    ILE  24           H        ILE  24  -1.711  10.224 -11.108
  178    HA   ILE  24           HA       ILE  24  -4.340   9.483 -11.946
  179    HB   ILE  24           HB       ILE  24  -1.652   8.078 -12.004
  180   1HG1  ILE  24          HG12      ILE  24  -3.520   9.096 -14.207
  181   2HG1  ILE  24          HG13      ILE  24  -2.176  10.022 -13.552
  182   1HG2  ILE  24          HG21      ILE  24  -2.657   6.274 -13.384
  183   2HG2  ILE  24          HG22      ILE  24  -3.323   6.278 -11.760
  184   3HG2  ILE  24          HG23      ILE  24  -4.274   6.954 -13.091
  185   1HD1  ILE  24          HD11      ILE  24  -1.513   9.016 -15.655
  186   2HD1  ILE  24          HD12      ILE  24  -0.576   8.295 -14.328
  187   3HD1  ILE  24          HD13      ILE  24  -1.911   7.400 -15.088
  188    H    ALA  25           H        ALA  25  -2.278   8.382  -9.258
  189    HA   ALA  25           HA       ALA  25  -4.023   6.302  -8.447
  190   1HB   ALA  25          HB1       ALA  25  -1.654   6.398  -7.741
  191   2HB   ALA  25          HB2       ALA  25  -1.976   7.881  -6.814
  192   3HB   ALA  25          HB3       ALA  25  -2.720   6.347  -6.322
  193    H    GLU  26           H        GLU  26  -3.798   9.731  -7.549
  194    HA   GLU  26           HA       GLU  26  -5.764   9.629  -5.514
  195   1HB   GLU  26          HB2       GLU  26  -4.048  11.424  -5.910
  196   2HB   GLU  26          HB3       GLU  26  -5.001  12.013  -7.265
  197   1HG   GLU  26          HG2       GLU  26  -5.968  11.797  -4.373
  198   2HG   GLU  26          HG3       GLU  26  -5.237  13.241  -5.058
  199    H    ARG  27           H        ARG  27  -6.022  10.241  -9.044
  200    HA   ARG  27           HA       ARG  27  -8.840  10.747  -8.827
  201   1HB   ARG  27          HB2       ARG  27  -8.961  11.157 -11.001
  202   2HB   ARG  27          HB3       ARG  27  -7.294  11.536 -10.628
  203   1HG   ARG  27          HG2       ARG  27  -7.262  10.559 -12.720
  204   2HG   ARG  27          HG3       ARG  27  -6.613   9.367 -11.618
  205   1HD   ARG  27          HD2       ARG  27  -8.097   8.472 -13.442
  206   2HD   ARG  27          HD3       ARG  27  -8.579   7.986 -11.821
  207    HE   ARG  27           HE       ARG  27  -9.934  10.378 -12.741
  208   1HH1  ARG  27          HH22      ARG  27  -9.989   6.803 -13.015
  209   2HH1  ARG  27          HH21      ARG  27 -11.696   6.743 -13.280
  210   1HH2  ARG  27          HH11      ARG  27 -12.198  10.249 -13.103
  211   2HH2  ARG  27          HH12      ARG  27 -12.962   8.729 -13.358
  212    H    GLU  28           H        GLU  28  -6.951   7.883  -9.422
  213    HA   GLU  28           HA       GLU  28  -9.221   6.146  -9.931
  214   1HB   GLU  28          HB2       GLU  28  -6.293   5.637  -9.222
  215   2HB   GLU  28          HB3       GLU  28  -7.441   4.324  -9.380
  216   1HG   GLU  28          HG2       GLU  28  -6.670   6.279 -11.569
  217   2HG   GLU  28          HG3       GLU  28  -6.237   4.575 -11.460
  218    H    GLY  29           H        GLY  29  -7.687   7.267  -6.962
  219   1HA   GLY  29          HA2       GLY  29  -8.393   6.970  -4.780
  220   2HA   GLY  29          HA3       GLY  29  -9.659   5.846  -5.306
  221    H    LEU  30           H        LEU  30  -6.260   5.527  -6.318
  222    HA   LEU  30           HA       LEU  30  -5.988   2.877  -5.084
  223   1HB   LEU  30          HB2       LEU  30  -4.456   4.607  -6.996
  224   2HB   LEU  30          HB3       LEU  30  -3.466   3.585  -5.974
  225    HG   LEU  30           HG       LEU  30  -5.814   2.475  -7.555
  226   1HD1  LEU  30          HD11      LEU  30  -4.231   1.744  -9.273
  227   2HD1  LEU  30          HD12      LEU  30  -4.255   3.512  -9.150
  228   3HD1  LEU  30          HD13      LEU  30  -2.902   2.600  -8.441
  229   1HD2  LEU  30          HD21      LEU  30  -4.988   1.009  -5.737
  230   2HD2  LEU  30          HD22      LEU  30  -4.562   0.329  -7.307
  231   3HD2  LEU  30          HD23      LEU  30  -3.327   1.163  -6.349
  232    H    ASN  31           H        ASN  31  -4.028   2.501  -3.694
  233    HA   ASN  31           HA       ASN  31  -3.452   4.763  -1.837
  234   1HB   ASN  31          HB2       ASN  31  -5.152   3.415  -0.732
  235   2HB   ASN  31          HB3       ASN  31  -4.282   1.928  -1.123
  236   1HD2  ASN  31          HD22      ASN  31  -3.860   1.246   1.036
  237   2HD2  ASN  31          HD21      ASN  31  -2.835   2.146   2.120
  238    H    VAL  32           H        VAL  32  -1.355   5.127  -2.236
  239    HA   VAL  32           HA       VAL  32   0.598   2.933  -2.124
  240    HB   VAL  32           HB       VAL  32   1.761   3.784  -4.131
  241   1HG1  VAL  32          HG11      VAL  32  -1.066   2.995  -4.922
  242   2HG1  VAL  32          HG12      VAL  32   0.437   2.792  -5.847
  243   3HG1  VAL  32          HG13      VAL  32   0.187   1.859  -4.365
  244   1HG2  VAL  32          HG21      VAL  32   0.766   5.286  -5.727
  245   2HG2  VAL  32          HG22      VAL  32  -0.731   5.421  -4.780
  246   3HG2  VAL  32          HG23      VAL  32   0.794   6.111  -4.177
  247    H    ASN  33           H        ASN  33   2.833   3.936  -2.081
  248    HA   ASN  33           HA       ASN  33   2.923   6.837  -1.630
  249   1HB   ASN  33          HB2       ASN  33   3.561   5.709   0.544
  250   2HB   ASN  33          HB3       ASN  33   4.800   4.802  -0.329
  251   1HD2  ASN  33          HD22      ASN  33   6.800   5.838  -0.772
  252   2HD2  ASN  33          HD21      ASN  33   7.122   7.491  -0.265
  253    H    VAL  34           H        VAL  34   4.703   7.706  -2.886
  254    HA   VAL  34           HA       VAL  34   6.306   5.782  -4.339
  255    HB   VAL  34           HB       VAL  34   6.007   6.895  -6.513
  256   1HG1  VAL  34          HG11      VAL  34   3.952   5.893  -7.197
  257   2HG1  VAL  34          HG12      VAL  34   4.553   4.875  -5.882
  258   3HG1  VAL  34          HG13      VAL  34   3.243   5.999  -5.571
  259   1HG2  VAL  34          HG21      VAL  34   4.290   8.462  -6.985
  260   2HG2  VAL  34          HG22      VAL  34   3.538   8.263  -5.379
  261   3HG2  VAL  34          HG23      VAL  34   5.087   9.084  -5.526
  262    H    ARG  35           H        ARG  35   8.258   6.595  -5.094
  263    HA   ARG  35           HA       ARG  35   9.172   9.178  -3.988
  264   1HB   ARG  35          HB2       ARG  35   9.625   6.576  -2.847
  265   2HB   ARG  35          HB3       ARG  35  11.054   6.885  -3.798
  266   1HG   ARG  35          HG2       ARG  35  11.756   7.820  -1.864
  267   2HG   ARG  35          HG3       ARG  35  10.990   9.256  -2.532
  268   1HD   ARG  35          HD2       ARG  35   9.687   7.273  -0.601
  269   2HD   ARG  35          HD3       ARG  35  10.429   8.807  -0.134
  270    HE   ARG  35           HE       ARG  35   8.158   8.680  -2.090
  271   1HH1  ARG  35          HH21      ARG  35   9.433  10.107   0.916
  272   2HH1  ARG  35          HH22      ARG  35   8.183  11.291   1.014
  273   1HH2  ARG  35          HH11      ARG  35   6.579  10.164  -1.974
  274   2HH2  ARG  35          HH12      ARG  35   6.481  11.324  -0.681
  275    H    SER  36           H        SER  36  11.350   9.709  -4.876
  276    HA   SER  36           HA       SER  36  12.042   8.374  -7.412
  277   1HB   SER  36          HB2       SER  36  12.016  11.381  -6.926
  278   2HB   SER  36          HB3       SER  36  12.562  10.559  -8.398
  279    HG   SER  36           HG       SER  36   9.973  10.730  -7.267
  280    H    ALA  37           H        ALA  37  14.226   7.999  -7.553
  281    HA   ALA  37           HA       ALA  37  16.129   9.492  -5.888
  282   1HB   ALA  37          HB1       ALA  37  15.798   6.462  -5.667
  283   2HB   ALA  37          HB2       ALA  37  17.055   7.454  -4.883
  284   3HB   ALA  37          HB3       ALA  37  15.368   7.633  -4.399
  285    H    GLY  38           H        GLY  38  18.408   8.494  -6.479
  286   1HA   GLY  38          HA2       GLY  38  18.375   7.292  -9.165
  287   2HA   GLY  38          HA3       GLY  38  19.295   8.774  -8.987
  288    H    VAL  39           H        VAL  39  20.199   5.990  -9.632
  289    HA   VAL  39           HA       VAL  39  21.522   4.911  -7.312
  290    HB   VAL  39           HB       VAL  39  22.928   3.675  -8.985
  291   1HG1  VAL  39          HG11      VAL  39  21.138   2.246  -9.807
  292   2HG1  VAL  39          HG12      VAL  39  20.853   2.699  -8.110
  293   3HG1  VAL  39          HG13      VAL  39  19.921   3.477  -9.419
  294   1HG2  VAL  39          HG21      VAL  39  22.747   5.327 -10.882
  295   2HG2  VAL  39          HG22      VAL  39  22.364   3.654 -11.322
  296   3HG2  VAL  39          HG23      VAL  39  21.055   4.819 -11.098
  297    H    PHE  40           H        PHE  40  22.343   7.567  -9.447
  298    HA   PHE  40           HA       PHE  40  24.754   8.097  -7.813
  299   1HB   PHE  40          HB2       PHE  40  24.615   8.016 -10.853
  300   2HB   PHE  40          HB3       PHE  40  25.887   8.849  -9.973
  301    HD1  PHE  40           HD1      PHE  40  24.864   5.620 -11.256
  302    HD2  PHE  40           HD2      PHE  40  27.314   7.566  -8.284
  303    HE1  PHE  40           HE1      PHE  40  26.233   3.568 -11.036
  304    HE2  PHE  40           HE2      PHE  40  28.667   5.499  -8.055
  305    HZ   PHE  40           HZ       PHE  40  28.129   3.496  -9.430
  306    H    ALA  41           H        ALA  41  22.006   9.089  -7.698
  307    HA   ALA  41           HA       ALA  41  22.076  11.883  -8.611
  308   1HB   ALA  41          HB1       ALA  41  20.021  12.041  -7.176
  309   2HB   ALA  41          HB2       ALA  41  19.902  10.797  -8.418
  310   3HB   ALA  41          HB3       ALA  41  20.235  10.341  -6.724
  311    H    SER  42           H        SER  42  21.712  13.523  -6.758
  312    HA   SER  42           HA       SER  42  23.318  12.951  -4.361
  313   1HB   SER  42          HB2       SER  42  23.654  15.413  -6.123
  314   2HB   SER  42          HB3       SER  42  24.492  15.101  -4.592
  315    HG   SER  42           HG       SER  42  25.762  14.563  -6.432
  316    HA   PRO  43           HA       PRO  43  19.888  14.869  -2.358
  317   1HB   PRO  43          HB2       PRO  43  21.931  16.220  -0.598
  318   2HB   PRO  43          HB3       PRO  43  20.404  15.390  -0.135
  319   1HG   PRO  43          HG2       PRO  43  22.687  14.013   0.073
  320   2HG   PRO  43          HG3       PRO  43  21.302  13.248  -0.803
  321   1HD   PRO  43          HD2       PRO  43  23.647  14.763  -2.013
  322   2HD   PRO  43          HD3       PRO  43  23.057  13.117  -2.380
  323    H    ASN  44           H        ASN  44  21.516  16.754  -4.426
  324    HA   ASN  44           HA       ASN  44  19.999  19.214  -3.834
  325   1HB   ASN  44          HB2       ASN  44  21.851  20.635  -3.987
  326   2HB   ASN  44          HB3       ASN  44  22.354  19.393  -2.851
  327   1HD2  ASN  44          HD22      ASN  44  23.940  21.233  -4.744
  328   2HD2  ASN  44          HD21      ASN  44  24.954  20.142  -5.651
  329    H    GLY  45           H        GLY  45  20.185  16.886  -5.970
  330   1HA   GLY  45          HA2       GLY  45  20.264  18.510  -8.458
  331   2HA   GLY  45          HA3       GLY  45  19.773  16.811  -8.300
  332    H    LYS  46           H        LYS  46  18.014  18.714  -9.609
  333    HA   LYS  46           HA       LYS  46  15.683  18.348  -7.950
  334   1HB   LYS  46          HB2       LYS  46  15.014  20.726  -7.817
  335   2HB   LYS  46          HB3       LYS  46  16.444  20.371  -6.866
  336   1HG   LYS  46          HG2       LYS  46  17.868  21.353  -8.682
  337   2HG   LYS  46          HG3       LYS  46  16.391  21.748  -9.588
  338   1HD   LYS  46          HD2       LYS  46  15.596  23.100  -7.640
  339   2HD   LYS  46          HD3       LYS  46  17.111  22.770  -6.795
  340   1HE   LYS  46          HE2       LYS  46  16.840  24.201  -9.477
  341   2HE   LYS  46          HE3       LYS  46  17.008  25.002  -7.911
  342   1HZ   LYS  46          HZ1       LYS  46  19.054  23.249  -9.144
  343   2HZ   LYS  46          HZ2       LYS  46  19.125  24.870  -9.025
  344   3HZ   LYS  46          HZ3       LYS  46  19.189  23.965  -7.676
  345    H    ALA  47           H        ALA  47  13.725  19.150  -8.999
  346    HA   ALA  47           HA       ALA  47  13.367  18.122 -11.550
  347   1HB   ALA  47          HB1       ALA  47  11.552  18.682  -9.944
  348   2HB   ALA  47          HB2       ALA  47  11.796  20.413 -10.283
  349   3HB   ALA  47          HB3       ALA  47  11.227  19.326 -11.567
  350    H    THR  48           H        THR  48  13.511  18.871 -13.683
  351    HA   THR  48           HA       THR  48  15.347  21.039 -14.046
  352    HB   THR  48           HB       THR  48  15.391  20.406 -16.350
  353    HG1  THR  48           HG1      THR  48  13.894  18.863 -17.145
  354   1HG2  THR  48          HG21      THR  48  15.896  18.061 -16.251
  355   2HG2  THR  48          HG22      THR  48  16.354  18.763 -14.684
  356   3HG2  THR  48          HG23      THR  48  14.846  17.827 -14.841
  357    HA   PRO  49           HA       PRO  49  12.673  24.477 -14.967
  358   1HB   PRO  49          HB2       PRO  49  14.153  24.685 -17.596
  359   2HB   PRO  49          HB3       PRO  49  13.732  25.985 -16.436
  360   1HG   PRO  49          HG2       PRO  49  16.240  24.972 -16.482
  361   2HG   PRO  49          HG3       PRO  49  15.428  25.268 -14.909
  362   1HD   PRO  49          HD2       PRO  49  15.740  22.659 -16.403
  363   2HD   PRO  49          HD3       PRO  49  15.948  23.002 -14.657
  364    H    HIS  50           H        HIS  50  12.819  21.755 -17.216
  365    HA   HIS  50           HA       HIS  50  10.341  22.715 -18.525
  366   1HB   HIS  50          HB2       HIS  50  12.496  20.854 -19.510
  367   2HB   HIS  50          HB3       HIS  50  10.965  21.135 -20.351
  368    HD1  HIS  50           HD1      HIS  50  13.765  21.779 -21.764
  369    HD2  HIS  50           HD2      HIS  50  11.249  24.492 -19.725
  370    HE1  HIS  50           HE1      HIS  50  14.325  24.090 -22.646
  371    H    ALA  51           H        ALA  51  11.749  19.895 -16.821
  372    HA   ALA  51           HA       ALA  51   9.454  18.241 -17.119
  373   1HB   ALA  51          HB1       ALA  51  10.277  17.241 -14.930
  374   2HB   ALA  51          HB2       ALA  51  11.553  17.361 -16.154
  375   3HB   ALA  51          HB3       ALA  51  11.473  18.536 -14.828
  376    H    VAL  52           H        VAL  52  10.370  20.636 -14.665
  377    HA   VAL  52           HA       VAL  52   8.043  20.342 -13.129
  378    HB   VAL  52           HB       VAL  52  10.417  21.391 -12.708
  379   1HG1  VAL  52          HG11      VAL  52   8.952  23.969 -13.262
  380   2HG1  VAL  52          HG12      VAL  52  10.598  23.757 -12.614
  381   3HG1  VAL  52          HG13      VAL  52  10.253  23.274 -14.277
  382   1HG2  VAL  52          HG21      VAL  52   9.603  22.604 -10.734
  383   2HG2  VAL  52          HG22      VAL  52   7.943  22.466 -11.366
  384   3HG2  VAL  52          HG23      VAL  52   8.882  21.008 -10.951
  385    H    GLU  53           H        GLU  53   8.836  22.471 -15.834
  386    HA   GLU  53           HA       GLU  53   6.438  23.981 -15.647
  387   1HB   GLU  53          HB2       GLU  53   8.438  24.824 -16.738
  388   2HB   GLU  53          HB3       GLU  53   8.323  23.586 -18.000
  389   1HG   GLU  53          HG2       GLU  53   6.281  24.569 -18.865
  390   2HG   GLU  53          HG3       GLU  53   6.147  25.644 -17.469
  391    H    ALA  54           H        ALA  54   7.319  21.029 -17.433
  392    HA   ALA  54           HA       ALA  54   4.964  20.848 -18.985
  393   1HB   ALA  54          HB1       ALA  54   6.989  19.528 -19.480
  394   2HB   ALA  54          HB2       ALA  54   6.802  18.632 -17.957
  395   3HB   ALA  54          HB3       ALA  54   5.605  18.454 -19.248
  396    H    LEU  55           H        LEU  55   5.738  19.628 -15.716
  397    HA   LEU  55           HA       LEU  55   3.043  18.471 -15.492
  398   1HB   LEU  55          HB2       LEU  55   5.407  18.708 -13.670
  399   2HB   LEU  55          HB3       LEU  55   3.827  18.284 -12.995
  400    HG   LEU  55           HG       LEU  55   5.356  16.352 -13.469
  401   1HD1  LEU  55          HD11      LEU  55   2.955  16.019 -13.180
  402   2HD1  LEU  55          HD12      LEU  55   2.695  16.268 -14.928
  403   3HD1  LEU  55          HD13      LEU  55   3.623  14.874 -14.339
  404   1HD2  LEU  55          HD21      LEU  55   5.548  15.447 -15.724
  405   2HD2  LEU  55          HD22      LEU  55   4.679  16.825 -16.405
  406   3HD2  LEU  55          HD23      LEU  55   6.276  17.061 -15.663
  407    H    PHE  56           H        PHE  56   4.486  21.603 -14.671
  408    HA   PHE  56           HA       PHE  56   2.211  22.470 -13.105
  409   1HB   PHE  56          HB2       PHE  56   4.566  23.788 -14.368
  410   2HB   PHE  56          HB3       PHE  56   3.125  24.773 -14.282
  411    HD1  PHE  56           HD1      PHE  56   1.887  25.026 -12.063
  412    HD2  PHE  56           HD2      PHE  56   5.914  23.510 -12.350
  413    HE1  PHE  56           HE1      PHE  56   2.252  25.525  -9.666
  414    HE2  PHE  56           HE2      PHE  56   6.271  23.998  -9.952
  415    HZ   PHE  56           HZ       PHE  56   4.452  25.031  -8.603
  416    H    GLU  57           H        GLU  57   2.938  22.502 -16.639
  417    HA   GLU  57           HA       GLU  57   0.452  23.735 -17.338
  418   1HB   GLU  57          HB2       GLU  57   2.443  23.617 -18.794
  419   2HB   GLU  57          HB3       GLU  57   2.230  21.871 -18.950
  420   1HG   GLU  57          HG2       GLU  57   0.024  22.235 -20.030
  421   2HG   GLU  57          HG3       GLU  57   0.187  23.981 -19.794
  422    H    LYS  58           H        LYS  58   1.384  20.251 -16.907
  423    HA   LYS  58           HA       LYS  58  -1.277  19.277 -17.417
  424   1HB   LYS  58          HB2       LYS  58   0.848  17.926 -17.412
  425   2HB   LYS  58          HB3       LYS  58   0.828  17.978 -15.643
  426   1HG   LYS  58          HG2       LYS  58  -1.188  16.698 -15.522
  427   2HG   LYS  58          HG3       LYS  58  -1.558  16.931 -17.225
  428   1HD   LYS  58          HD2       LYS  58   0.865  15.377 -16.235
  429   2HD   LYS  58          HD3       LYS  58  -0.701  14.624 -16.523
  430   1HE   LYS  58          HE2       LYS  58   0.872  16.157 -18.635
  431   2HE   LYS  58          HE3       LYS  58   0.952  14.403 -18.413
  432   1HZ   LYS  58          HZ1       LYS  58  -0.641  15.032 -20.146
  433   2HZ   LYS  58          HZ2       LYS  58  -1.382  14.241 -18.929
  434   3HZ   LYS  58          HZ3       LYS  58  -1.543  15.870 -19.075
  435    H    HIS  59           H        HIS  59  -0.146  21.199 -14.878
  436    HA   HIS  59           HA       HIS  59  -1.063  22.098 -13.095
  437   1HB   HIS  59          HB2       HIS  59  -3.082  22.263 -14.575
  438   2HB   HIS  59          HB3       HIS  59  -3.728  20.833 -13.767
  439    HD1  HIS  59           HD1      HIS  59  -5.235  21.475 -11.714
  440    HD2  HIS  59           HD2      HIS  59  -2.269  24.312 -12.659
  441    HE1  HIS  59           HE1      HIS  59  -5.572  23.422 -10.107
  442    H    ILE  60           H        ILE  60   0.524  20.139 -12.652
  443    HA   ILE  60           HA       ILE  60  -0.624  18.621 -10.354
  444    HB   ILE  60           HB       ILE  60   1.489  17.857 -12.390
  445   1HG1  ILE  60          HG12      ILE  60  -1.188  16.622 -11.588
  446   2HG1  ILE  60          HG13      ILE  60  -0.880  17.531 -13.061
  447   1HG2  ILE  60          HG21      ILE  60   1.803  15.759 -11.108
  448   2HG2  ILE  60          HG22      ILE  60   2.296  17.157 -10.181
  449   3HG2  ILE  60          HG23      ILE  60   0.735  16.378  -9.833
  450   1HD1  ILE  60          HD11      ILE  60  -0.933  15.164 -13.551
  451   2HD1  ILE  60          HD12      ILE  60   0.685  15.825 -13.847
  452   3HD1  ILE  60          HD13      ILE  60   0.368  14.837 -12.400
  453    H    ALA  61           H        ALA  61   1.703  20.995 -11.392
  454    HA   ALA  61           HA       ALA  61   3.251  22.217 -10.325
  455   1HB   ALA  61          HB1       ALA  61   1.273  22.944  -9.085
  456   2HB   ALA  61          HB2       ALA  61   1.529  21.662  -7.881
  457   3HB   ALA  61          HB3       ALA  61   2.718  22.962  -8.054
  458    H    LEU  62           H        LEU  62   4.647  20.338 -10.935
  459    HA   LEU  62           HA       LEU  62   5.589  18.413  -9.028
  460   1HB   LEU  62          HB2       LEU  62   5.794  18.452 -11.565
  461   2HB   LEU  62          HB3       LEU  62   7.063  19.648 -11.401
  462    HG   LEU  62           HG       LEU  62   7.069  16.717 -10.574
  463   1HD1  LEU  62          HD11      LEU  62   8.845  18.233 -12.534
  464   2HD1  LEU  62          HD12      LEU  62   8.781  16.481 -12.274
  465   3HD1  LEU  62          HD13      LEU  62   7.405  17.313 -13.002
  466   1HD2  LEU  62          HD21      LEU  62   8.474  17.518  -8.891
  467   2HD2  LEU  62          HD22      LEU  62   9.612  17.182 -10.180
  468   3HD2  LEU  62          HD23      LEU  62   9.113  18.851  -9.906
  469    H    ASN  63           H        ASN  63   7.220  18.638  -7.483
  470    HA   ASN  63           HA       ASN  63   9.234  20.662  -7.739
  471   1HB   ASN  63          HB2       ASN  63   7.013  21.365  -6.043
  472   2HB   ASN  63          HB3       ASN  63   8.339  20.915  -4.976
  473   1HD2  ASN  63          HD22      ASN  63   7.903  22.693  -8.094
  474   2HD2  ASN  63          HD21      ASN  63   8.930  24.052  -7.662
  475    H    HIS  64           H        HIS  64  11.103  19.620  -7.138
  476    HA   HIS  64           HA       HIS  64  11.070  17.446  -5.175
  477   1HB   HIS  64          HB2       HIS  64  10.286  16.325  -7.254
  478   2HB   HIS  64          HB3       HIS  64  11.660  16.991  -8.142
  479    HD1  HIS  64           HD1      HIS  64  11.112  14.558  -5.136
  480    HD2  HIS  64           HD2      HIS  64  13.769  15.475  -8.273
  481    HE1  HIS  64           HE1      HIS  64  12.917  12.765  -5.104
  482    H    VAL  65           H        VAL  65  13.124  17.014  -4.442
  483    HA   VAL  65           HA       VAL  65  15.481  18.197  -5.768
  484    HB   VAL  65           HB       VAL  65  15.012  18.237  -2.758
  485   1HG1  VAL  65          HG11      VAL  65  17.110  19.463  -2.636
  486   2HG1  VAL  65          HG12      VAL  65  17.403  17.954  -3.511
  487   3HG1  VAL  65          HG13      VAL  65  17.259  19.487  -4.403
  488   1HG2  VAL  65          HG21      VAL  65  15.011  20.551  -4.749
  489   2HG2  VAL  65          HG22      VAL  65  13.641  20.011  -3.751
  490   3HG2  VAL  65          HG23      VAL  65  15.060  20.727  -2.982
  491    H    SER  66           H        SER  66  16.773  16.576  -6.213
  492    HA   SER  66           HA       SER  66  16.144  13.878  -5.912
  493   1HB   SER  66          HB2       SER  66  18.844  15.148  -6.476
  494   2HB   SER  66          HB3       SER  66  18.283  13.546  -6.992
  495    HG   SER  66           HG       SER  66  18.052  15.024  -8.667
  496    H    SER  67           H        SER  67  17.593  12.173  -5.046
  497    HA   SER  67           HA       SER  67  19.513  12.685  -2.971
  498   1HB   SER  67          HB2       SER  67  16.813  11.410  -2.304
  499   2HB   SER  67          HB3       SER  67  18.260  11.199  -1.306
  500    HG   SER  67           HG       SER  67  17.512  13.794  -2.036
  501    HA   PRO  68           HA       PRO  68  20.704   8.866  -4.932
  502   1HB   PRO  68          HB2       PRO  68  22.257   7.596  -3.077
  503   2HB   PRO  68          HB3       PRO  68  22.768   9.104  -3.894
  504   1HG   PRO  68          HG2       PRO  68  21.430   8.827  -1.180
  505   2HG   PRO  68          HG3       PRO  68  22.920   9.747  -1.586
  506   1HD   PRO  68          HD2       PRO  68  20.502  10.964  -1.434
  507   2HD   PRO  68          HD3       PRO  68  21.676  11.425  -2.707
  508    H    LEU  69           H        LEU  69  20.159   6.636  -5.039
  509    HA   LEU  69           HA       LEU  69  18.031   5.679  -3.209
  510   1HB   LEU  69          HB2       LEU  69  17.784   5.201  -5.611
  511   2HB   LEU  69          HB3       LEU  69  19.371   4.441  -5.663
  512    HG   LEU  69           HG       LEU  69  18.645   2.591  -4.344
  513   1HD1  LEU  69          HD11      LEU  69  16.065   4.130  -3.879
  514   2HD1  LEU  69          HD12      LEU  69  16.220   2.385  -3.580
  515   3HD1  LEU  69          HD13      LEU  69  17.185   3.514  -2.647
  516   1HD2  LEU  69          HD21      LEU  69  16.897   1.615  -5.737
  517   2HD2  LEU  69          HD22      LEU  69  16.453   3.225  -6.341
  518   3HD2  LEU  69          HD23      LEU  69  18.053   2.530  -6.712
  519    H    THR  70           H        THR  70  18.642   4.848  -1.308
  520    HA   THR  70           HA       THR  70  21.111   3.261  -1.110
  521    HB   THR  70           HB       THR  70  21.199   4.339   1.270
  522    HG1  THR  70           HG1      THR  70  20.381   6.402   1.374
  523   1HG2  THR  70          HG21      THR  70  22.684   6.101   0.413
  524   2HG2  THR  70          HG22      THR  70  22.899   4.600  -0.507
  525   3HG2  THR  70          HG23      THR  70  21.971   5.941  -1.210
  526    H    GLU  71           H        GLU  71  21.056   1.952   0.987
  527    HA   GLU  71           HA       GLU  71  19.135   0.144   0.148
  528   1HB   GLU  71          HB2       GLU  71  21.451  -0.290   1.078
  529   2HB   GLU  71          HB3       GLU  71  20.795  -0.044   2.700
  530   1HG   GLU  71          HG2       GLU  71  19.214  -1.943   2.315
  531   2HG   GLU  71          HG3       GLU  71  19.891  -2.167   0.699
  532    H    GLU  72           H        GLU  72  19.099   2.276   2.963
  533    HA   GLU  72           HA       GLU  72  16.953   0.978   4.307
  534   1HB   GLU  72          HB2       GLU  72  16.788   3.063   5.621
  535   2HB   GLU  72          HB3       GLU  72  18.438   2.446   5.510
  536   1HG   GLU  72          HG2       GLU  72  18.932   4.141   3.732
  537   2HG   GLU  72          HG3       GLU  72  17.300   4.784   3.917
  538    H    LEU  73           H        LEU  73  17.007   3.497   1.790
  539    HA   LEU  73           HA       LEU  73  14.166   3.960   1.933
  540   1HB   LEU  73          HB2       LEU  73  15.653   5.642   0.919
  541   2HB   LEU  73          HB3       LEU  73  16.164   4.467  -0.300
  542    HG   LEU  73           HG       LEU  73  13.870   4.396  -1.211
  543   1HD1  LEU  73          HD11      LEU  73  12.155   5.960  -0.639
  544   2HD1  LEU  73          HD12      LEU  73  12.539   4.977   0.762
  545   3HD1  LEU  73          HD13      LEU  73  13.154   6.648   0.674
  546   1HD2  LEU  73          HD21      LEU  73  15.569   5.929  -2.135
  547   2HD2  LEU  73          HD22      LEU  73  13.927   6.552  -2.322
  548   3HD2  LEU  73          HD23      LEU  73  14.993   7.211  -1.053
  549    H    MET  74           H        MET  74  16.340   1.905   0.033
  550    HA   MET  74           HA       MET  74  14.443   0.711  -1.670
  551   1HB   MET  74          HB2       MET  74  16.564   0.294  -2.347
  552   2HB   MET  74          HB3       MET  74  17.184   0.084  -0.721
  553   1HG   MET  74          HG2       MET  74  17.378  -1.986  -1.883
  554   2HG   MET  74          HG3       MET  74  16.233  -2.143  -0.570
  555   1HE   MET  74          HE1       MET  74  16.951  -3.069  -4.157
  556   2HE   MET  74          HE2       MET  74  15.446  -2.799  -5.050
  557   3HE   MET  74          HE3       MET  74  16.408  -1.406  -4.507
  558    H    GLU  75           H        GLU  75  15.473  -0.263   1.616
  559    HA   GLU  75           HA       GLU  75  13.569  -2.472   1.572
  560   1HB   GLU  75          HB2       GLU  75  15.562  -1.472   3.608
  561   2HB   GLU  75          HB3       GLU  75  14.373  -2.705   4.030
  562   1HG   GLU  75          HG2       GLU  75  16.272  -2.976   1.660
  563   2HG   GLU  75          HG3       GLU  75  16.603  -3.606   3.268
  564    H    SER  76           H        SER  76  13.362   0.858   2.604
  565    HA   SER  76           HA       SER  76  10.938   0.478   4.155
  566   1HB   SER  76          HB2       SER  76  11.868   2.882   2.521
  567   2HB   SER  76          HB3       SER  76  10.572   2.867   3.726
  568    HG   SER  76           HG       SER  76  13.345   2.366   4.135
  569    H    ALA  77           H        ALA  77  11.731   0.839   0.678
  570    HA   ALA  77           HA       ALA  77   8.965   0.934  -0.135
  571   1HB   ALA  77          HB1       ALA  77  11.494   0.590  -1.772
  572   2HB   ALA  77          HB2       ALA  77   9.884   1.002  -2.399
  573   3HB   ALA  77          HB3       ALA  77  10.713   2.136  -1.328
  574    H    ASP  78           H        ASP  78   8.241  -0.481  -1.948
  575    HA   ASP  78           HA       ASP  78   8.679  -3.356  -1.349
  576   1HB   ASP  78          HB2       ASP  78   6.677  -2.405  -0.219
  577   2HB   ASP  78          HB3       ASP  78   6.055  -1.896  -1.791
  578    H    LEU  79           H        LEU  79   8.412  -0.855  -3.765
  579    HA   LEU  79           HA       LEU  79   8.960  -2.884  -5.829
  580   1HB   LEU  79          HB2       LEU  79   6.513  -2.227  -5.966
  581   2HB   LEU  79          HB3       LEU  79   7.010  -0.559  -6.129
  582    HG   LEU  79           HG       LEU  79   8.164  -1.113  -8.283
  583   1HD1  LEU  79          HD11      LEU  79   8.670  -3.495  -7.947
  584   2HD1  LEU  79          HD12      LEU  79   6.936  -3.870  -7.838
  585   3HD1  LEU  79          HD13      LEU  79   7.638  -3.299  -9.366
  586   1HD2  LEU  79          HD21      LEU  79   5.767  -0.350  -8.245
  587   2HD2  LEU  79          HD22      LEU  79   6.186  -1.350  -9.639
  588   3HD2  LEU  79          HD23      LEU  79   5.270  -2.050  -8.295
  589    H    VAL  80           H        VAL  80  10.482  -2.145  -7.322
  590    HA   VAL  80           HA       VAL  80  11.261   0.712  -7.217
  591    HB   VAL  80           HB       VAL  80  13.155  -1.668  -7.345
  592   1HG1  VAL  80          HG11      VAL  80  14.941   0.018  -7.115
  593   2HG1  VAL  80          HG12      VAL  80  13.990   0.314  -8.574
  594   3HG1  VAL  80          HG13      VAL  80  13.733   1.321  -7.135
  595   1HG2  VAL  80          HG21      VAL  80  13.976  -0.771  -5.102
  596   2HG2  VAL  80          HG22      VAL  80  12.501   0.212  -5.049
  597   3HG2  VAL  80          HG23      VAL  80  12.398  -1.559  -5.069
  598    H    LEU  81           H        LEU  81  11.475   1.597  -9.219
  599    HA   LEU  81           HA       LEU  81  10.960  -0.162 -11.530
  600   1HB   LEU  81          HB2       LEU  81   9.049   1.407 -10.214
  601   2HB   LEU  81          HB3       LEU  81   9.533   2.411 -11.573
  602    HG   LEU  81           HG       LEU  81   8.624  -0.526 -11.820
  603   1HD1  LEU  81          HD11      LEU  81   6.805   0.935 -11.016
  604   2HD1  LEU  81          HD12      LEU  81   7.128   2.065 -12.348
  605   3HD1  LEU  81          HD13      LEU  81   6.533   0.419 -12.687
  606   1HD2  LEU  81          HD21      LEU  81   9.178   1.621 -13.868
  607   2HD2  LEU  81          HD22      LEU  81  10.074   0.104 -13.650
  608   3HD2  LEU  81          HD23      LEU  81   8.398   0.051 -14.202
  609    H    ALA  82           H        ALA  82  12.646   0.093 -12.813
  610    HA   ALA  82           HA       ALA  82  14.326   2.503 -12.529
  611   1HB   ALA  82          HB1       ALA  82  15.267   0.389 -11.575
  612   2HB   ALA  82          HB2       ALA  82  15.138  -0.365 -13.181
  613   3HB   ALA  82          HB3       ALA  82  16.228   1.014 -12.924
  614    H    MET  83           H        MET  83  15.134   3.442 -14.384
  615    HA   MET  83           HA       MET  83  13.481   2.991 -16.666
  616   1HB   MET  83          HB2       MET  83  15.543   5.049 -15.927
  617   2HB   MET  83          HB3       MET  83  14.856   4.996 -17.552
  618   1HG   MET  83          HG2       MET  83  13.576   6.503 -16.096
  619   2HG   MET  83          HG3       MET  83  12.617   5.176 -16.734
  620   1HE   MET  83          HE1       MET  83  10.809   6.308 -14.861
  621   2HE   MET  83          HE2       MET  83  11.086   6.138 -13.123
  622   3HE   MET  83          HE3       MET  83  12.055   7.305 -14.057
  623    H    THR  84           H        THR  84  16.571   1.516 -16.041
  624    HA   THR  84           HA       THR  84  16.336   0.353 -18.704
  625    HB   THR  84           HB       THR  84  18.664   0.548 -19.285
  626    HG1  THR  84           HG1      THR  84  19.962   2.039 -17.966
  627   1HG2  THR  84          HG21      THR  84  18.970   2.883 -19.809
  628   2HG2  THR  84          HG22      THR  84  17.272   2.456 -20.051
  629   3HG2  THR  84          HG23      THR  84  17.764   3.371 -18.602
  630    H    HIS  85           H        HIS  85  17.525  -1.720 -18.825
  631    HA   HIS  85           HA       HIS  85  17.591  -3.174 -16.381
  632   1HB   HIS  85          HB2       HIS  85  17.216  -4.257 -18.542
  633   2HB   HIS  85          HB3       HIS  85  18.831  -3.805 -19.087
  634    HD1  HIS  85           HD1      HIS  85  19.512  -6.396 -19.426
  635    HD2  HIS  85           HD2      HIS  85  18.318  -5.315 -15.546
  636    HE1  HIS  85           HE1      HIS  85  20.109  -8.352 -17.915
  637    H    GLN  86           H        GLN  86  19.988  -1.150 -18.035
  638    HA   GLN  86           HA       GLN  86  22.220  -2.134 -16.552
  639   1HB   GLN  86          HB2       GLN  86  22.537  -0.827 -18.606
  640   2HB   GLN  86          HB3       GLN  86  21.771   0.576 -17.861
  641   1HG   GLN  86          HG2       GLN  86  24.184   0.849 -17.884
  642   2HG   GLN  86          HG3       GLN  86  23.616   0.757 -16.228
  643   1HE2  GLN  86          HE22      GLN  86  24.040  -1.271 -14.992
  644   2HE2  GLN  86          HE21      GLN  86  25.370  -2.299 -15.488
  645    H    HIS  87           H        HIS  87  19.820   0.463 -15.944
  646    HA   HIS  87           HA       HIS  87  20.949   1.258 -13.445
  647   1HB   HIS  87          HB2       HIS  87  18.041   1.326 -14.304
  648   2HB   HIS  87          HB3       HIS  87  18.731   2.181 -12.933
  649    HD1  HIS  87           HD1      HIS  87  21.306   2.954 -15.283
  650    HD2  HIS  87           HD2      HIS  87  17.229   3.869 -14.937
  651    HE1  HIS  87           HE1      HIS  87  20.942   5.103 -16.594
  652    H    LYS  88           H        LYS  88  18.508  -1.218 -14.274
  653    HA   LYS  88           HA       LYS  88  17.982  -2.041 -11.622
  654   1HB   LYS  88          HB2       LYS  88  16.559  -2.682 -13.470
  655   2HB   LYS  88          HB3       LYS  88  17.852  -3.641 -14.196
  656   1HG   LYS  88          HG2       LYS  88  17.768  -5.282 -12.458
  657   2HG   LYS  88          HG3       LYS  88  16.823  -4.237 -11.408
  658   1HD   LYS  88          HD2       LYS  88  15.384  -5.957 -12.232
  659   2HD   LYS  88          HD3       LYS  88  14.875  -4.438 -12.979
  660   1HE   LYS  88          HE2       LYS  88  15.948  -5.041 -15.088
  661   2HE   LYS  88          HE3       LYS  88  16.714  -6.457 -14.335
  662   1HZ   LYS  88          HZ1       LYS  88  14.422  -7.348 -14.005
  663   2HZ   LYS  88          HZ2       LYS  88  13.825  -6.104 -14.910
  664   3HZ   LYS  88          HZ3       LYS  88  14.823  -7.162 -15.580
  665    H    GLN  89           H        GLN  89  20.552  -3.100 -13.841
  666    HA   GLN  89           HA       GLN  89  21.655  -5.020 -12.028
  667   1HB   GLN  89          HB2       GLN  89  22.754  -3.595 -14.476
  668   2HB   GLN  89          HB3       GLN  89  23.721  -4.752 -13.555
  669   1HG   GLN  89          HG2       GLN  89  22.220  -6.563 -14.011
  670   2HG   GLN  89          HG3       GLN  89  20.984  -5.487 -14.655
  671   1HE2  GLN  89          HE22      GLN  89  21.365  -4.411 -16.689
  672   2HE2  GLN  89          HE21      GLN  89  22.488  -5.073 -17.872
  673    H    ILE  90           H        ILE  90  22.279  -1.518 -12.470
  674    HA   ILE  90           HA       ILE  90  24.507  -1.491 -10.680
  675    HB   ILE  90           HB       ILE  90  22.551   0.720 -11.413
  676   1HG1  ILE  90          HG12      ILE  90  25.482   0.469 -12.222
  677   2HG1  ILE  90          HG13      ILE  90  24.216  -0.273 -13.173
  678   1HG2  ILE  90          HG21      ILE  90  23.528   1.257  -9.210
  679   2HG2  ILE  90          HG22      ILE  90  25.156   0.907  -9.822
  680   3HG2  ILE  90          HG23      ILE  90  24.242   2.297 -10.431
  681   1HD1  ILE  90          HD11      ILE  90  24.476   2.707 -12.603
  682   2HD1  ILE  90          HD12      ILE  90  24.734   1.873 -14.143
  683   3HD1  ILE  90          HD13      ILE  90  23.106   1.957 -13.441
  684    H    ILE  91           H        ILE  91  21.006  -1.067 -10.149
  685    HA   ILE  91           HA       ILE  91  21.096  -0.620  -7.362
  686    HB   ILE  91           HB       ILE  91  18.967  -1.946  -9.084
  687   1HG1  ILE  91          HG12      ILE  91  19.029   0.866  -7.909
  688   2HG1  ILE  91          HG13      ILE  91  19.661   0.510  -9.500
  689   1HG2  ILE  91          HG21      ILE  91  18.694  -0.883  -6.244
  690   2HG2  ILE  91          HG22      ILE  91  17.366  -1.476  -7.255
  691   3HG2  ILE  91          HG23      ILE  91  18.608  -2.597  -6.716
  692   1HD1  ILE  91          HD11      ILE  91  17.459   1.356  -9.783
  693   2HD1  ILE  91          HD12      ILE  91  17.441  -0.360 -10.212
  694   3HD1  ILE  91          HD13      ILE  91  16.772   0.174  -8.653
  695    H    ALA  92           H        ALA  92  20.900  -3.669  -9.189
  696    HA   ALA  92           HA       ALA  92  20.918  -5.404  -6.961
  697   1HB   ALA  92          HB1       ALA  92  20.349  -6.090  -9.293
  698   2HB   ALA  92          HB2       ALA  92  22.051  -5.892  -9.758
  699   3HB   ALA  92          HB3       ALA  92  21.604  -7.139  -8.592
  700    H    SER  93           H        SER  93  23.606  -3.955  -8.784
  701    HA   SER  93           HA       SER  93  25.667  -5.449  -7.490
  702   1HB   SER  93          HB2       SER  93  25.832  -2.745  -8.889
  703   2HB   SER  93          HB3       SER  93  27.189  -3.818  -8.513
  704    HG   SER  93           HG       SER  93  25.004  -4.306 -10.271
  705    H    GLN  94           H        GLN  94  24.102  -2.334  -6.670
  706    HA   GLN  94           HA       GLN  94  26.111  -1.834  -4.602
  707   1HB   GLN  94          HB2       GLN  94  24.856   0.140  -4.020
  708   2HB   GLN  94          HB3       GLN  94  25.268   0.078  -5.732
  709   1HG   GLN  94          HG2       GLN  94  22.979  -0.390  -6.334
  710   2HG   GLN  94          HG3       GLN  94  22.519  -0.638  -4.653
  711   1HE2  GLN  94          HE22      GLN  94  21.169   1.018  -4.138
  712   2HE2  GLN  94          HE21      GLN  94  21.531   2.715  -4.330
  713    H    PHE  95           H        PHE  95  22.836  -3.215  -4.707
  714    HA   PHE  95           HA       PHE  95  22.799  -3.283  -1.741
  715   1HB   PHE  95          HB2       PHE  95  20.694  -3.837  -3.837
  716   2HB   PHE  95          HB3       PHE  95  20.421  -3.914  -2.101
  717    HD1  PHE  95           HD1      PHE  95  19.011  -2.214  -4.232
  718    HD2  PHE  95           HD2      PHE  95  22.161  -1.280  -1.421
  719    HE1  PHE  95           HE1      PHE  95  18.190   0.121  -4.048
  720    HE2  PHE  95           HE2      PHE  95  21.394   1.006  -1.314
  721    HZ   PHE  95           HZ       PHE  95  19.322   1.711  -2.505
  722    H    GLY  96           H        GLY  96  23.749  -5.538  -4.143
  723   1HA   GLY  96          HA2       GLY  96  24.537  -7.684  -3.670
  724   2HA   GLY  96          HA3       GLY  96  23.792  -7.637  -2.066
  725    H    ARG  97           H        ARG  97  22.659  -7.286  -5.427
  726    HA   ARG  97           HA       ARG  97  20.918  -8.045  -6.575
  727   1HB   ARG  97          HB2       ARG  97  22.581  -9.970  -6.456
  728   2HB   ARG  97          HB3       ARG  97  21.454 -10.758  -5.348
  729   1HG   ARG  97          HG2       ARG  97  19.689 -10.672  -7.132
  730   2HG   ARG  97          HG3       ARG  97  20.804  -9.797  -8.184
  731   1HD   ARG  97          HD2       ARG  97  20.736 -12.123  -8.853
  732   2HD   ARG  97          HD3       ARG  97  22.329 -11.733  -8.218
  733    HE   ARG  97           HE       ARG  97  22.027 -13.154  -6.441
  734   1HH1  ARG  97          HH11      ARG  97  18.918 -12.856  -8.138
  735   2HH1  ARG  97          HH12      ARG  97  18.157 -14.126  -7.257
  736   1HH2  ARG  97          HH21      ARG  97  21.013 -14.844  -5.272
  737   2HH2  ARG  97          HH22      ARG  97  19.382 -15.286  -5.599
  738    H    TYR  98           H        TYR  98  19.906  -6.665  -4.520
  739    HA   TYR  98           HA       TYR  98  17.448  -8.039  -3.648
  740   1HB   TYR  98          HB2       TYR  98  18.292  -5.118  -3.678
  741   2HB   TYR  98          HB3       TYR  98  16.725  -5.681  -3.127
  742    HD1  TYR  98           HD1      TYR  98  19.052  -8.161  -1.974
  743    HD2  TYR  98           HD2      TYR  98  17.632  -4.151  -1.231
  744    HE1  TYR  98           HE1      TYR  98  19.830  -8.318   0.346
  745    HE2  TYR  98           HE2      TYR  98  18.411  -4.303   1.106
  746    HH   TYR  98           HH       TYR  98  19.458  -5.641   2.717
  747    H    ARG  99           H        ARG  99  18.380  -7.971  -6.553
  748    HA   ARG  99           HA       ARG  99  16.988  -6.256  -8.219
  749   1HB   ARG  99          HB2       ARG  99  18.889  -7.871  -8.695
  750   2HB   ARG  99          HB3       ARG  99  17.712  -9.182  -8.717
  751   1HG   ARG  99          HG2       ARG  99  16.604  -8.169 -10.683
  752   2HG   ARG  99          HG3       ARG  99  17.715  -6.784 -10.604
  753   1HD   ARG  99          HD2       ARG  99  19.643  -8.259 -10.987
  754   2HD   ARG  99          HD3       ARG  99  18.615  -9.685 -10.969
  755    HE   ARG  99           HE       ARG  99  19.051  -7.802 -13.145
  756   1HH1  ARG  99          HH21      ARG  99  16.850 -10.318 -11.933
  757   2HH1  ARG  99          HH22      ARG  99  16.271 -10.758 -13.493
  758   1HH2  ARG  99          HH11      ARG  99  18.299  -8.414 -15.240
  759   2HH2  ARG  99          HH12      ARG  99  17.111  -9.655 -15.399
  760    H    ASP 100           H        ASP 100  15.718  -9.075  -6.499
  761    HA   ASP 100           HA       ASP 100  13.534  -9.758  -8.091
  762   1HB   ASP 100          HB2       ASP 100  14.275 -11.054  -6.159
  763   2HB   ASP 100          HB3       ASP 100  13.792  -9.754  -5.064
  764    H    LYS 101           H        LYS 101  13.786  -6.977  -5.812
  765    HA   LYS 101           HA       LYS 101  10.915  -6.418  -6.110
  766   1HB   LYS 101          HB2       LYS 101  13.067  -4.770  -4.726
  767   2HB   LYS 101          HB3       LYS 101  11.319  -4.486  -4.675
  768   1HG   LYS 101          HG2       LYS 101  11.132  -6.901  -3.740
  769   2HG   LYS 101          HG3       LYS 101  12.871  -6.773  -3.441
  770   1HD   LYS 101          HD2       LYS 101  10.615  -5.121  -2.242
  771   2HD   LYS 101          HD3       LYS 101  11.738  -6.207  -1.407
  772   1HE   LYS 101          HE2       LYS 101  13.620  -4.631  -2.092
  773   2HE   LYS 101          HE3       LYS 101  12.387  -3.528  -2.714
  774   1HZ   LYS 101          HZ1       LYS 101  12.871  -2.794  -0.608
  775   2HZ   LYS 101          HZ2       LYS 101  11.465  -3.550  -0.367
  776   3HZ   LYS 101          HZ3       LYS 101  12.916  -4.273   0.083
  777    H    VAL 102           H        VAL 102  13.430  -5.968  -8.250
  778    HA   VAL 102           HA       VAL 102  12.639  -3.219  -8.953
  779    HB   VAL 102           HB       VAL 102  15.098  -4.693  -9.925
  780   1HG1  VAL 102          HG11      VAL 102  14.490  -2.679 -11.207
  781   2HG1  VAL 102          HG12      VAL 102  14.367  -1.733  -9.714
  782   3HG1  VAL 102          HG13      VAL 102  15.938  -2.347 -10.251
  783   1HG2  VAL 102          HG21      VAL 102  15.301  -4.618  -7.450
  784   2HG2  VAL 102          HG22      VAL 102  16.467  -3.582  -8.269
  785   3HG2  VAL 102          HG23      VAL 102  15.041  -2.863  -7.494
  786    H    PHE 103           H        PHE 103  11.810  -2.802 -11.004
  787    HA   PHE 103           HA       PHE 103  11.975  -4.887 -13.091
  788   1HB   PHE 103          HB2       PHE 103   9.455  -3.381 -12.277
  789   2HB   PHE 103          HB3       PHE 103   9.642  -4.294 -13.768
  790    HD1  PHE 103           HD1      PHE 103   9.409  -6.690 -13.838
  791    HD2  PHE 103           HD2      PHE 103   9.473  -4.618 -10.054
  792    HE1  PHE 103           HE1      PHE 103   8.627  -8.747 -12.692
  793    HE2  PHE 103           HE2      PHE 103   8.690  -6.677  -8.913
  794    HZ   PHE 103           HZ       PHE 103   8.266  -8.746 -10.229
  795    H    THR 104           H        THR 104  11.935  -3.943 -15.205
  796    HA   THR 104           HA       THR 104  12.961  -1.221 -15.165
  797    HB   THR 104           HB       THR 104  12.652  -2.756 -17.727
  798    HG1  THR 104           HG1      THR 104  13.515  -4.280 -16.318
  799   1HG2  THR 104          HG21      THR 104  14.793  -0.964 -16.528
  800   2HG2  THR 104          HG22      THR 104  14.856  -1.702 -18.146
  801   3HG2  THR 104          HG23      THR 104  13.624  -0.491 -17.785
  802    H    LEU 105           H        LEU 105  12.098   0.502 -16.503
  803    HA   LEU 105           HA       LEU 105   9.469   0.938 -15.935
  804   1HB   LEU 105          HB2       LEU 105  11.120   2.697 -16.296
  805   2HB   LEU 105          HB3       LEU 105  11.057   2.407 -18.041
  806    HG   LEU 105           HG       LEU 105   8.699   3.091 -18.092
  807   1HD1  LEU 105          HD11      LEU 105   8.991   3.572 -15.083
  808   2HD1  LEU 105          HD12      LEU 105   7.654   4.185 -16.062
  809   3HD1  LEU 105          HD13      LEU 105   7.841   2.452 -15.865
  810   1HD2  LEU 105          HD21      LEU 105   9.006   5.470 -17.588
  811   2HD2  LEU 105          HD22      LEU 105  10.410   5.079 -16.578
  812   3HD2  LEU 105          HD23      LEU 105  10.470   4.789 -18.328
  813    H    LYS 106           H        LYS 106  10.541   0.102 -19.307
  814    HA   LYS 106           HA       LYS 106   7.709  -0.201 -20.035
  815   1HB   LYS 106          HB2       LYS 106  10.262  -1.035 -21.456
  816   2HB   LYS 106          HB3       LYS 106   8.659  -1.358 -22.092
  817   1HG   LYS 106          HG2       LYS 106   9.580   1.465 -21.410
  818   2HG   LYS 106          HG3       LYS 106   9.826   0.731 -22.998
  819   1HD   LYS 106          HD2       LYS 106   7.461   0.531 -23.403
  820   2HD   LYS 106          HD3       LYS 106   7.071   0.934 -21.739
  821   1HE   LYS 106          HE2       LYS 106   6.565   2.847 -23.035
  822   2HE   LYS 106          HE3       LYS 106   7.977   3.228 -22.052
  823   1HZ   LYS 106          HZ1       LYS 106   8.099   2.475 -24.920
  824   2HZ   LYS 106          HZ2       LYS 106   8.096   4.013 -24.354
  825   3HZ   LYS 106          HZ3       LYS 106   9.357   3.032 -24.000
  826    H    GLU 107           H        GLU 107  10.348  -2.421 -19.084
  827    HA   GLU 107           HA       GLU 107   9.189  -4.833 -19.572
  828   1HB   GLU 107          HB2       GLU 107  11.479  -4.484 -18.782
  829   2HB   GLU 107          HB3       GLU 107  10.862  -4.003 -17.198
  830   1HG   GLU 107          HG2       GLU 107   9.972  -6.304 -16.853
  831   2HG   GLU 107          HG3       GLU 107  10.668  -6.774 -18.415
  832    H    TYR 108           H        TYR 108   8.587  -2.898 -16.605
  833    HA   TYR 108           HA       TYR 108   7.022  -4.769 -15.208
  834   1HB   TYR 108          HB2       TYR 108   7.982  -2.655 -14.306
  835   2HB   TYR 108          HB3       TYR 108   6.837  -1.728 -15.256
  836    HD1  TYR 108           HD1      TYR 108   4.621  -1.301 -14.425
  837    HD2  TYR 108           HD2      TYR 108   7.110  -4.234 -12.479
  838    HE1  TYR 108           HE1      TYR 108   2.969  -1.486 -12.587
  839    HE2  TYR 108           HE2      TYR 108   5.509  -4.369 -10.607
  840    HH   TYR 108           HH       TYR 108   3.499  -3.578  -9.726
  841    H    VAL 109           H        VAL 109   6.193  -2.891 -18.010
  842    HA   VAL 109           HA       VAL 109   3.273  -3.334 -17.636
  843    HB   VAL 109           HB       VAL 109   4.771  -1.245 -19.275
  844   1HG1  VAL 109          HG11      VAL 109   1.855  -1.493 -18.451
  845   2HG1  VAL 109          HG12      VAL 109   2.569  -0.062 -19.235
  846   3HG1  VAL 109          HG13      VAL 109   2.499  -1.598 -20.107
  847   1HG2  VAL 109          HG21      VAL 109   3.544  -1.044 -16.493
  848   2HG2  VAL 109          HG22      VAL 109   5.263  -0.823 -16.919
  849   3HG2  VAL 109          HG23      VAL 109   4.074   0.337 -17.476
  850    H    THR 110           H        THR 110   5.795  -3.226 -20.274
  851    HA   THR 110           HA       THR 110   3.939  -4.400 -22.183
  852    HB   THR 110           HB       THR 110   5.865  -4.141 -23.705
  853    HG1  THR 110           HG1      THR 110   7.815  -3.384 -22.885
  854   1HG2  THR 110          HG21      THR 110   6.110  -1.727 -23.641
  855   2HG2  THR 110          HG22      THR 110   4.450  -2.115 -23.163
  856   3HG2  THR 110          HG23      THR 110   5.644  -1.651 -21.930
  857    H    GLY 111           H        GLY 111   6.307  -5.541 -19.903
  858   1HA   GLY 111          HA2       GLY 111   6.964  -7.701 -19.385
  859   2HA   GLY 111          HA3       GLY 111   6.118  -8.329 -20.806
  860    H    SER 112           H        SER 112   8.150  -5.605 -21.611
  861    HA   SER 112           HA       SER 112  10.415  -7.359 -22.377
  862   1HB   SER 112          HB2       SER 112   8.939  -5.401 -24.189
  863   2HB   SER 112          HB3       SER 112  10.353  -6.375 -24.627
  864    HG   SER 112           HG       SER 112   8.381  -7.307 -25.343
  865    H    HIS 113           H        HIS 113  12.428  -6.270 -22.555
  866    HA   HIS 113           HA       HIS 113  12.804  -4.008 -20.889
  867   1HB   HIS 113          HB2       HIS 113  14.579  -5.642 -21.352
  868   2HB   HIS 113          HB3       HIS 113  14.617  -5.144 -23.051
  869    HD1  HIS 113           HD1      HIS 113  16.174  -3.062 -23.577
  870    HD2  HIS 113           HD2      HIS 113  15.160  -3.543 -19.521
  871    HE1  HIS 113           HE1      HIS 113  17.397  -1.232 -22.309
  872    H    GLY 114           H        GLY 114  13.097  -1.836 -21.307
  873   1HA   GLY 114          HA2       GLY 114  13.613  -0.490 -23.615
  874   2HA   GLY 114          HA3       GLY 114  11.844  -0.659 -23.613
  875    H    ASP 115           H        ASP 115  12.473   1.840 -23.455
  876    HA   ASP 115           HA       ASP 115  11.981   2.652 -20.682
  877   1HB   ASP 115          HB2       ASP 115  14.469   2.835 -21.111
  878   2HB   ASP 115          HB3       ASP 115  14.113   3.941 -22.432
  879    H    VAL 116           H        VAL 116  11.306   5.026 -20.745
  880    HA   VAL 116           HA       VAL 116   9.494   5.598 -23.016
  881    HB   VAL 116           HB       VAL 116   9.991   6.966 -20.338
  882   1HG1  VAL 116          HG11      VAL 116   7.823   7.549 -22.398
  883   2HG1  VAL 116          HG12      VAL 116   7.814   8.137 -20.725
  884   3HG1  VAL 116          HG13      VAL 116   9.078   8.672 -21.815
  885   1HG2  VAL 116          HG21      VAL 116   7.641   5.261 -21.264
  886   2HG2  VAL 116          HG22      VAL 116   8.907   4.726 -20.135
  887   3HG2  VAL 116          HG23      VAL 116   7.819   6.035 -19.680
  888    H    LEU 117           H        LEU 117   9.676   8.028 -23.770
  889    HA   LEU 117           HA       LEU 117  12.135   8.675 -24.995
  890   1HB   LEU 117          HB2       LEU 117   9.708   9.514 -25.385
  891   2HB   LEU 117          HB3       LEU 117   9.990  10.620 -24.053
  892    HG   LEU 117           HG       LEU 117  11.429  10.547 -26.745
  893   1HD1  LEU 117          HD11      LEU 117   9.109  11.411 -26.754
  894   2HD1  LEU 117          HD12      LEU 117   9.560  12.605 -25.516
  895   3HD1  LEU 117          HD13      LEU 117  10.290  12.672 -27.135
  896   1HD2  LEU 117          HD21      LEU 117  11.941  12.399 -24.396
  897   2HD2  LEU 117          HD22      LEU 117  13.109  11.363 -25.271
  898   3HD2  LEU 117          HD23      LEU 117  12.417  12.750 -26.073
  899    H    ASP 118           H        ASP 118  13.967   9.619 -24.111
  900    HA   ASP 118           HA       ASP 118  13.968  10.558 -21.293
  901   1HB   ASP 118          HB2       ASP 118  15.733   9.038 -21.690
  902   2HB   ASP 118          HB3       ASP 118  16.189   9.838 -23.201
  903    HA   PRO 119           HA       PRO 119  13.703  14.465 -23.593
  904   1HB   PRO 119          HB2       PRO 119  12.465  16.030 -21.755
  905   2HB   PRO 119          HB3       PRO 119  11.598  14.723 -22.584
  906   1HG   PRO 119          HG2       PRO 119  12.958  14.612 -19.865
  907   2HG   PRO 119          HG3       PRO 119  11.268  14.151 -20.257
  908   1HD   PRO 119          HD2       PRO 119  13.290  12.318 -20.149
  909   2HD   PRO 119          HD3       PRO 119  11.982  12.199 -21.368
  910    H    PHE 120           H        PHE 120  15.809  13.664 -21.006
  911    HA   PHE 120           HA       PHE 120  16.311  16.173 -19.883
  912   1HB   PHE 120          HB2       PHE 120  17.047  13.980 -18.984
  913   2HB   PHE 120          HB3       PHE 120  18.307  13.910 -20.211
  914    HD1  PHE 120           HD1      PHE 120  17.011  15.937 -17.326
  915    HD2  PHE 120           HD2      PHE 120  20.405  15.041 -19.839
  916    HE1  PHE 120           HE1      PHE 120  18.478  17.250 -15.818
  917    HE2  PHE 120           HE2      PHE 120  21.864  16.367 -18.331
  918    HZ   PHE 120           HZ       PHE 120  20.905  17.471 -16.318
  919    H    GLY 121           H        GLY 121  17.101  17.996 -20.705
  920   1HA   GLY 121          HA2       GLY 121  18.717  19.349 -21.724
  921   2HA   GLY 121          HA3       GLY 121  19.261  17.996 -22.722
  922    H    GLY 122           H        GLY 122  15.923  17.825 -22.944
  923   1HA   GLY 122          HA2       GLY 122  15.912  19.071 -25.590
  924   2HA   GLY 122          HA3       GLY 122  14.670  18.062 -24.842
  925    H    SER 123           H        SER 123  13.762  20.141 -26.173
  926    HA   SER 123           HA       SER 123  13.374  22.546 -24.584
  927   1HB   SER 123          HB2       SER 123  11.867  21.516 -27.030
  928   2HB   SER 123          HB3       SER 123  11.915  23.184 -26.428
  929    HG   SER 123           HG       SER 123  13.345  22.854 -28.188
  930    H    ILE 124           H        ILE 124  11.030  23.166 -24.058
  931    HA   ILE 124           HA       ILE 124   9.800  21.357 -22.327
  932    HB   ILE 124           HB       ILE 124   9.451  23.731 -22.186
  933   1HG1  ILE 124          HG12      ILE 124   7.031  23.920 -21.888
  934   2HG1  ILE 124          HG13      ILE 124   6.758  22.456 -22.827
  935   1HG2  ILE 124          HG21      ILE 124   8.080  25.033 -23.744
  936   2HG2  ILE 124          HG22      ILE 124   9.490  24.381 -24.571
  937   3HG2  ILE 124          HG23      ILE 124   7.895  23.628 -24.805
  938   1HD1  ILE 124          HD11      ILE 124   8.317  22.570 -20.208
  939   2HD1  ILE 124          HD12      ILE 124   6.607  22.113 -20.367
  940   3HD1  ILE 124          HD13      ILE 124   7.858  21.101 -21.102
  941    H    ASP 125           H        ASP 125   9.342  21.742 -25.806
  942    HA   ASP 125           HA       ASP 125   7.019  20.166 -26.081
  943   1HB   ASP 125          HB2       ASP 125   7.896  21.537 -27.909
  944   2HB   ASP 125          HB3       ASP 125   9.328  20.504 -28.024
  945    H    ILE 126           H        ILE 126  10.407  19.182 -25.696
  946    HA   ILE 126           HA       ILE 126   9.926  16.415 -26.462
  947    HB   ILE 126           HB       ILE 126  12.257  17.516 -24.872
  948   1HG1  ILE 126          HG12      ILE 126  12.169  18.829 -26.923
  949   2HG1  ILE 126          HG13      ILE 126  13.502  17.694 -26.993
  950   1HG2  ILE 126          HG21      ILE 126  13.454  15.562 -25.806
  951   2HG2  ILE 126          HG22      ILE 126  12.034  15.059 -24.875
  952   3HG2  ILE 126          HG23      ILE 126  11.966  15.037 -26.630
  953   1HD1  ILE 126          HD11      ILE 126  12.197  16.219 -28.513
  954   2HD1  ILE 126          HD12      ILE 126  10.824  17.347 -28.417
  955   3HD1  ILE 126          HD13      ILE 126  12.350  17.861 -29.154
  956    H    TYR 127           H        TYR 127  10.039  18.278 -23.432
  957    HA   TYR 127           HA       TYR 127   9.585  16.035 -21.707
  958   1HB   TYR 127          HB2       TYR 127   9.227  19.036 -21.429
  959   2HB   TYR 127          HB3       TYR 127   8.732  17.921 -20.167
  960    HD1  TYR 127           HD1      TYR 127  10.277  16.605 -18.945
  961    HD2  TYR 127           HD2      TYR 127  11.713  19.272 -21.970
  962    HE1  TYR 127           HE1      TYR 127  12.570  16.474 -17.954
  963    HE2  TYR 127           HE2      TYR 127  13.994  19.146 -21.035
  964    HH   TYR 127           HH       TYR 127  15.282  18.454 -19.217
  965    H    LYS 128           H        LYS 128   7.456  18.260 -23.459
  966    HA   LYS 128           HA       LYS 128   5.025  17.135 -22.449
  967   1HB   LYS 128          HB2       LYS 128   4.600  19.175 -23.232
  968   2HB   LYS 128          HB3       LYS 128   5.784  19.115 -24.502
  969   1HG   LYS 128          HG2       LYS 128   3.188  17.565 -24.814
  970   2HG   LYS 128          HG3       LYS 128   3.255  19.314 -25.057
  971   1HD   LYS 128          HD2       LYS 128   5.182  18.948 -26.658
  972   2HD   LYS 128          HD3       LYS 128   4.815  17.218 -26.616
  973   1HE   LYS 128          HE2       LYS 128   2.527  17.684 -27.451
  974   2HE   LYS 128          HE3       LYS 128   2.864  19.421 -27.397
  975   1HZ   LYS 128          HZ1       LYS 128   3.198  18.697 -29.612
  976   2HZ   LYS 128          HZ2       LYS 128   4.698  18.995 -29.002
  977   3HZ   LYS 128          HZ3       LYS 128   4.161  17.454 -29.179
  978    H    GLN 129           H        GLN 129   7.009  16.232 -25.280
  979    HA   GLN 129           HA       GLN 129   5.172  14.238 -26.177
  980   1HB   GLN 129          HB2       GLN 129   8.199  14.488 -26.478
  981   2HB   GLN 129          HB3       GLN 129   7.268  13.160 -27.175
  982   1HG   GLN 129          HG2       GLN 129   5.940  14.760 -28.513
  983   2HG   GLN 129          HG3       GLN 129   6.860  16.101 -27.841
  984   1HE2  GLN 129          HE22      GLN 129   8.342  16.860 -29.393
  985   2HE2  GLN 129          HE21      GLN 129   9.279  15.798 -30.423
  986    H    THR 130           H        THR 130   7.824  14.195 -23.825
  987    HA   THR 130           HA       THR 130   7.710  11.432 -23.215
  988    HB   THR 130           HB       THR 130   8.561  13.775 -21.448
  989    HG1  THR 130           HG1      THR 130   9.719  13.752 -23.353
  990   1HG2  THR 130          HG21      THR 130   8.296  11.676 -20.144
  991   2HG2  THR 130          HG22      THR 130   9.353  10.845 -21.306
  992   3HG2  THR 130          HG23      THR 130   9.986  12.157 -20.289
  993    H    ARG 131           H        ARG 131   6.024  14.214 -21.701
  994    HA   ARG 131           HA       ARG 131   4.954  12.622 -19.609
  995   1HB   ARG 131          HB2       ARG 131   3.801  14.459 -18.839
  996   2HB   ARG 131          HB3       ARG 131   5.142  15.200 -19.711
  997   1HG   ARG 131          HG2       ARG 131   3.529  15.380 -21.700
  998   2HG   ARG 131          HG3       ARG 131   2.235  14.919 -20.604
  999   1HD   ARG 131          HD2       ARG 131   2.657  16.939 -19.248
 1000   2HD   ARG 131          HD3       ARG 131   4.051  17.328 -20.272
 1001    HE   ARG 131           HE       ARG 131   1.729  16.993 -21.903
 1002   1HH1  ARG 131          HH21      ARG 131   2.911  19.423 -19.535
 1003   2HH1  ARG 131          HH22      ARG 131   2.578  20.733 -20.662
 1004   1HH2  ARG 131          HH11      ARG 131   1.088  18.888 -23.142
 1005   2HH2  ARG 131          HH12      ARG 131   1.526  20.461 -22.505
 1006    H    ASP 132           H        ASP 132   3.808  13.187 -22.902
 1007    HA   ASP 132           HA       ASP 132   1.175  12.156 -22.472
 1008   1HB   ASP 132          HB2       ASP 132   1.706  13.542 -24.415
 1009   2HB   ASP 132          HB3       ASP 132   2.871  12.344 -24.990
 1010    H    GLU 133           H        GLU 133   4.253  10.632 -23.483
 1011    HA   GLU 133           HA       GLU 133   3.010   8.047 -23.901
 1012   1HB   GLU 133          HB2       GLU 133   5.112   8.760 -25.023
 1013   2HB   GLU 133          HB3       GLU 133   5.952   8.738 -23.464
 1014   1HG   GLU 133          HG2       GLU 133   5.482   6.318 -23.231
 1015   2HG   GLU 133          HG3       GLU 133   4.567   6.331 -24.740
 1016    H    LEU 134           H        LEU 134   4.753   9.671 -21.322
 1017    HA   LEU 134           HA       LEU 134   4.984   7.562 -19.484
 1018   1HB   LEU 134          HB2       LEU 134   6.207   9.768 -19.484
 1019   2HB   LEU 134          HB3       LEU 134   4.700  10.552 -18.997
 1020    HG   LEU 134           HG       LEU 134   4.747   9.295 -16.867
 1021   1HD1  LEU 134          HD11      LEU 134   7.455   8.313 -17.885
 1022   2HD1  LEU 134          HD12      LEU 134   6.859   8.120 -16.224
 1023   3HD1  LEU 134          HD13      LEU 134   6.033   7.295 -17.543
 1024   1HD2  LEU 134          HD21      LEU 134   5.717  11.543 -17.005
 1025   2HD2  LEU 134          HD22      LEU 134   6.689  10.546 -15.916
 1026   3HD2  LEU 134          HD23      LEU 134   7.269  10.874 -17.556
 1027    H    GLU 135           H        GLU 135   2.368   9.971 -19.973
 1028    HA   GLU 135           HA       GLU 135   0.814   9.167 -17.757
 1029   1HB   GLU 135          HB2       GLU 135   0.441  11.248 -19.138
 1030   2HB   GLU 135          HB3       GLU 135  -0.205  10.232 -20.431
 1031   1HG   GLU 135          HG2       GLU 135  -1.976   9.423 -18.833
 1032   2HG   GLU 135          HG3       GLU 135  -1.301  10.491 -17.600
 1033    H    GLU 136           H        GLU 136   0.883   7.970 -21.119
 1034    HA   GLU 136           HA       GLU 136  -1.342   6.221 -20.774
 1035   1HB   GLU 136          HB2       GLU 136  -0.484   7.012 -22.975
 1036   2HB   GLU 136          HB3       GLU 136   0.959   6.009 -22.769
 1037   1HG   GLU 136          HG2       GLU 136  -0.443   3.972 -22.728
 1038   2HG   GLU 136          HG3       GLU 136  -1.904   4.957 -22.832
 1039    H    LEU 137           H        LEU 137   2.152   5.782 -20.356
 1040    HA   LEU 137           HA       LEU 137   2.054   2.989 -19.782
 1041   1HB   LEU 137          HB2       LEU 137   4.106   4.428 -20.379
 1042   2HB   LEU 137          HB3       LEU 137   4.035   5.043 -18.727
 1043    HG   LEU 137           HG       LEU 137   4.049   2.513 -18.027
 1044   1HD1  LEU 137          HD11      LEU 137   3.741   1.573 -20.329
 1045   2HD1  LEU 137          HD12      LEU 137   5.243   2.347 -20.844
 1046   3HD1  LEU 137          HD13      LEU 137   5.286   1.053 -19.633
 1047   1HD2  LEU 137          HD21      LEU 137   6.538   3.787 -19.214
 1048   2HD2  LEU 137          HD22      LEU 137   5.869   4.097 -17.593
 1049   3HD2  LEU 137          HD23      LEU 137   6.474   2.482 -18.001
 1050    H    LEU 138           H        LEU 138   1.887   5.895 -17.720
 1051    HA   LEU 138           HA       LEU 138   1.890   4.389 -15.281
 1052   1HB   LEU 138          HB2       LEU 138   1.267   7.275 -15.927
 1053   2HB   LEU 138          HB3       LEU 138   1.205   6.647 -14.292
 1054    HG   LEU 138           HG       LEU 138   3.695   6.583 -16.068
 1055   1HD1  LEU 138          HD11      LEU 138   4.523   8.345 -14.625
 1056   2HD1  LEU 138          HD12      LEU 138   3.003   8.836 -15.386
 1057   3HD1  LEU 138          HD13      LEU 138   3.019   8.331 -13.679
 1058   1HD2  LEU 138          HD21      LEU 138   4.940   6.094 -13.990
 1059   2HD2  LEU 138          HD22      LEU 138   3.405   5.815 -13.152
 1060   3HD2  LEU 138          HD23      LEU 138   3.905   4.781 -14.514
 1061    H    ARG 139           H        ARG 139  -0.679   5.404 -17.460
 1062    HA   ARG 139           HA       ARG 139  -2.835   4.752 -15.663
 1063   1HB   ARG 139          HB2       ARG 139  -2.612   4.783 -18.701
 1064   2HB   ARG 139          HB3       ARG 139  -4.083   4.288 -17.888
 1065   1HG   ARG 139          HG2       ARG 139  -2.763   7.016 -17.556
 1066   2HG   ARG 139          HG3       ARG 139  -4.107   6.666 -18.644
 1067   1HD   ARG 139          HD2       ARG 139  -4.089   6.567 -15.611
 1068   2HD   ARG 139          HD3       ARG 139  -4.903   7.750 -16.641
 1069    HE   ARG 139           HE       ARG 139  -5.955   5.276 -17.390
 1070   1HH1  ARG 139          HH21      ARG 139  -5.888   7.320 -14.479
 1071   2HH1  ARG 139          HH22      ARG 139  -7.283   6.512 -13.774
 1072   1HH2  ARG 139          HH11      ARG 139  -7.874   4.307 -16.358
 1073   2HH2  ARG 139          HH12      ARG 139  -8.369   4.929 -14.802
 1074    H    GLN 140           H        GLN 140  -0.832   2.809 -17.895
 1075    HA   GLN 140           HA       GLN 140  -2.255   0.381 -17.371
 1076   1HB   GLN 140          HB2       GLN 140   0.617   0.707 -18.254
 1077   2HB   GLN 140          HB3       GLN 140  -0.318  -0.787 -18.259
 1078   1HG   GLN 140          HG2       GLN 140  -1.429   1.515 -19.850
 1079   2HG   GLN 140          HG3       GLN 140   0.030   0.733 -20.444
 1080   1HE2  GLN 140          HE22      GLN 140  -0.023  -1.646 -20.863
 1081   2HE2  GLN 140          HE21      GLN 140  -1.551  -2.390 -21.249
 1082    H    LEU 141           H        LEU 141   0.527   1.977 -15.755
 1083    HA   LEU 141           HA       LEU 141   1.017  -0.106 -13.879
 1084   1HB   LEU 141          HB2       LEU 141   1.390   2.901 -13.680
 1085   2HB   LEU 141          HB3       LEU 141   1.472   1.920 -12.236
 1086    HG   LEU 141           HG       LEU 141   3.287   0.564 -13.255
 1087   1HD1  LEU 141          HD11      LEU 141   3.427   2.760 -15.341
 1088   2HD1  LEU 141          HD12      LEU 141   4.584   1.438 -15.103
 1089   3HD1  LEU 141          HD13      LEU 141   2.922   1.088 -15.619
 1090   1HD2  LEU 141          HD21      LEU 141   3.889   2.108 -11.605
 1091   2HD2  LEU 141          HD22      LEU 141   4.978   2.482 -12.952
 1092   3HD2  LEU 141          HD23      LEU 141   3.565   3.503 -12.635
 1093    H    ALA 142           H        ALA 142  -1.302   2.595 -13.695
 1094    HA   ALA 142           HA       ALA 142  -2.277   1.864 -11.125
 1095   1HB   ALA 142          HB1       ALA 142  -3.679   3.419 -13.349
 1096   2HB   ALA 142          HB2       ALA 142  -4.176   3.365 -11.646
 1097   3HB   ALA 142          HB3       ALA 142  -2.621   4.095 -12.087
 1098    H    LYS 143           H        LYS 143  -3.321   0.987 -14.380
 1099    HA   LYS 143           HA       LYS 143  -5.630  -0.540 -13.769
 1100   1HB   LYS 143          HB2       LYS 143  -5.124   0.132 -16.018
 1101   2HB   LYS 143          HB3       LYS 143  -3.545  -0.641 -15.965
 1102   1HG   LYS 143          HG2       LYS 143  -4.605  -2.874 -15.888
 1103   2HG   LYS 143          HG3       LYS 143  -6.196  -2.109 -16.056
 1104   1HD   LYS 143          HD2       LYS 143  -3.871  -1.816 -18.034
 1105   2HD   LYS 143          HD3       LYS 143  -5.181  -3.000 -18.192
 1106   1HE   LYS 143          HE2       LYS 143  -6.857  -1.159 -18.260
 1107   2HE   LYS 143          HE3       LYS 143  -5.551   0.030 -18.142
 1108   1HZ   LYS 143          HZ1       LYS 143  -4.678  -0.808 -20.239
 1109   2HZ   LYS 143          HZ2       LYS 143  -5.907  -1.890 -20.368
 1110   3HZ   LYS 143          HZ3       LYS 143  -6.221  -0.290 -20.427
 1111    H    GLN 144           H        GLN 144  -2.193  -1.507 -14.019
 1112    HA   GLN 144           HA       GLN 144  -2.657  -4.235 -13.355
 1113   1HB   GLN 144          HB2       GLN 144  -0.179  -2.471 -13.278
 1114   2HB   GLN 144          HB3       GLN 144  -0.165  -4.118 -12.664
 1115   1HG   GLN 144          HG2       GLN 144  -1.125  -4.873 -14.915
 1116   2HG   GLN 144          HG3       GLN 144  -0.756  -3.255 -15.516
 1117   1HE2  GLN 144          HE22      GLN 144   1.595  -2.561 -15.381
 1118   2HE2  GLN 144          HE21      GLN 144   2.841  -3.811 -15.407
 1119    H    LEU 145           H        LEU 145  -1.633  -1.459 -11.239
 1120    HA   LEU 145           HA       LEU 145  -1.471  -3.129  -8.940
 1121   1HB   LEU 145          HB2       LEU 145  -1.812  -0.113  -9.211
 1122   2HB   LEU 145          HB3       LEU 145  -1.601  -0.923  -7.662
 1123    HG   LEU 145           HG       LEU 145   0.410  -0.974  -9.957
 1124   1HD1  LEU 145          HD11      LEU 145   0.257   1.186  -8.762
 1125   2HD1  LEU 145          HD12      LEU 145   0.542   0.358  -7.217
 1126   3HD1  LEU 145          HD13      LEU 145   1.799   0.377  -8.479
 1127   1HD2  LEU 145          HD21      LEU 145   0.642  -3.073  -8.781
 1128   2HD2  LEU 145          HD22      LEU 145   1.934  -2.010  -8.256
 1129   3HD2  LEU 145          HD23      LEU 145   0.526  -2.263  -7.196
 1130    H    LYS 146           H        LYS 146  -4.289  -1.334 -10.239
 1131    HA   LYS 146           HA       LYS 146  -5.970  -1.971  -7.980
 1132   1HB   LYS 146          HB2       LYS 146  -6.372  -0.972 -10.775
 1133   2HB   LYS 146          HB3       LYS 146  -7.720  -1.897 -10.093
 1134   1HG   LYS 146          HG2       LYS 146  -7.659  -0.437  -8.062
 1135   2HG   LYS 146          HG3       LYS 146  -6.415   0.550  -8.854
 1136   1HD   LYS 146          HD2       LYS 146  -7.969   1.146 -10.648
 1137   2HD   LYS 146          HD3       LYS 146  -9.202   0.043  -9.989
 1138   1HE   LYS 146          HE2       LYS 146  -9.258   1.355  -7.879
 1139   2HE   LYS 146          HE3       LYS 146  -8.036   2.453  -8.528
 1140   1HZ   LYS 146          HZ1       LYS 146  -9.623   3.035 -10.298
 1141   2HZ   LYS 146          HZ2       LYS 146 -10.777   2.094  -9.587
 1142   3HZ   LYS 146          HZ3       LYS 146 -10.174   3.407  -8.796
 1143    H    LYS 147           H        LYS 147  -5.095  -3.805 -10.945
 1144    HA   LYS 147           HA       LYS 147  -6.988  -5.910 -10.435
 1145   1HB   LYS 147          HB2       LYS 147  -5.988  -5.386 -12.652
 1146   2HB   LYS 147          HB3       LYS 147  -4.414  -5.958 -12.079
 1147   1HG   LYS 147          HG2       LYS 147  -5.370  -8.214 -11.684
 1148   2HG   LYS 147          HG3       LYS 147  -6.943  -7.657 -12.257
 1149   1HD   LYS 147          HD2       LYS 147  -4.357  -7.737 -13.876
 1150   2HD   LYS 147          HD3       LYS 147  -5.638  -8.937 -13.969
 1151   1HE   LYS 147          HE2       LYS 147  -5.933  -5.989 -14.719
 1152   2HE   LYS 147          HE3       LYS 147  -5.645  -7.305 -15.854
 1153   1HZ   LYS 147          HZ1       LYS 147  -8.062  -7.043 -14.158
 1154   2HZ   LYS 147          HZ2       LYS 147  -7.976  -6.767 -15.761
 1155   3HZ   LYS 147          HZ3       LYS 147  -7.765  -8.276 -15.194
 1156    H    ASP 148           H        ASP 148  -3.433  -5.595  -9.742
 1157    HA   ASP 148           HA       ASP 148  -3.565  -7.617  -7.602
 1158   1HB   ASP 148          HB2       ASP 148  -3.525  -9.040  -9.576
 1159   2HB   ASP 148          HB3       ASP 148  -2.291  -8.041 -10.339
 1160    H    ARG 149           H        ARG 149  -1.755  -7.455  -6.240
 1161    HA   ARG 149           HA       ARG 149   0.231  -5.346  -6.678
 1162   1HB   ARG 149          HB2       ARG 149  -0.467  -5.854  -4.393
 1163   2HB   ARG 149          HB3       ARG 149   0.036  -7.542  -4.576
 1164   1HG   ARG 149          HG2       ARG 149   2.391  -6.812  -4.880
 1165   2HG   ARG 149          HG3       ARG 149   1.902  -5.118  -4.730
 1166   1HD   ARG 149          HD2       ARG 149   1.336  -5.374  -2.434
 1167   2HD   ARG 149          HD3       ARG 149   1.296  -7.134  -2.536
 1168    HE   ARG 149           HE       ARG 149   3.673  -5.395  -2.280
 1169   1HH1  ARG 149          HH11      ARG 149   2.537  -8.701  -2.987
 1170   2HH1  ARG 149          HH12      ARG 149   4.040  -9.440  -2.580
 1171   1HH2  ARG 149          HH21      ARG 149   5.622  -6.369  -1.692
 1172   2HH2  ARG 149          HH22      ARG 149   5.840  -8.086  -1.845
 1173    H    ARG 150           H        ARG 150   1.093  -5.860  -8.646
 1174    HA   ARG 150           HA       ARG 150   1.887  -8.325  -9.623
 1175   1HB   ARG 150          HB2       ARG 150   3.395  -5.760 -10.206
 1176   2HB   ARG 150          HB3       ARG 150   3.189  -7.150 -11.256
 1177   1HG   ARG 150          HG2       ARG 150   1.043  -5.135 -10.443
 1178   2HG   ARG 150          HG3       ARG 150   1.819  -5.268 -12.009
 1179   1HD   ARG 150          HD2       ARG 150   0.098  -7.471 -10.790
 1180   2HD   ARG 150          HD3       ARG 150  -0.520  -6.229 -11.861
 1181    HE   ARG 150           HE       ARG 150   1.013  -6.977 -13.602
 1182   1HH1  ARG 150          HH22      ARG 150   0.266  -9.406 -11.026
 1183   2HH1  ARG 150          HH21      ARG 150   0.763 -10.723 -12.024
 1184   1HH2  ARG 150          HH11      ARG 150   1.597  -8.756 -14.847
 1185   2HH2  ARG 150          HH12      ARG 150   1.504 -10.362 -14.227
  Start of MODEL    6
    1   1H    MET   1           H1       MET   1   1.402   0.394   0.208
    2   2H    MET   1           H2       MET   1   1.439  -1.251   0.206
    3   3H    MET   1           H3       MET   1   2.699  -0.393   0.809
    4    HA   MET   1           HA       MET   1   3.296  -1.241  -1.332
    5   1HB   MET   1          HB2       MET   1   1.010  -1.393  -2.253
    6   2HB   MET   1          HB3       MET   1   0.894   0.366  -2.329
    7   1HG   MET   1          HG2       MET   1   1.423  -0.698  -4.505
    8   2HG   MET   1          HG3       MET   1   2.650   0.467  -4.013
    9   1HE   MET   1          HE1       MET   1   2.538  -2.148  -6.168
   10   2HE   MET   1          HE2       MET   1   3.768  -0.872  -6.233
   11   3HE   MET   1          HE3       MET   1   4.257  -2.580  -6.135
   12    H    ASP   2           H        ASP   2   5.136  -0.124  -1.959
   13    HA   ASP   2           HA       ASP   2   5.122   2.813  -1.913
   14   1HB   ASP   2          HB2       ASP   2   5.656   2.084   0.369
   15   2HB   ASP   2          HB3       ASP   2   6.975   1.107  -0.245
   16    H    ILE   3           H        ILE   3   6.198   3.472  -3.705
   17    HA   ILE   3           HA       ILE   3   7.778   1.472  -5.216
   18    HB   ILE   3           HB       ILE   3   6.060   3.672  -6.366
   19   1HG1  ILE   3          HG12      ILE   3   5.265   0.767  -5.952
   20   2HG1  ILE   3          HG13      ILE   3   4.593   2.150  -5.097
   21   1HG2  ILE   3          HG21      ILE   3   7.336   1.238  -7.665
   22   2HG2  ILE   3          HG22      ILE   3   6.214   2.350  -8.479
   23   3HG2  ILE   3          HG23      ILE   3   7.763   2.938  -7.919
   24   1HD1  ILE   3          HD11      ILE   3   3.012   1.562  -6.692
   25   2HD1  ILE   3          HD12      ILE   3   3.740   3.067  -7.272
   26   3HD1  ILE   3          HD13      ILE   3   4.185   1.505  -8.017
   27    H    ILE   4           H        ILE   4   9.778   2.191  -6.108
   28    HA   ILE   4           HA       ILE   4  10.398   5.097  -5.847
   29    HB   ILE   4           HB       ILE   4  12.438   2.859  -5.891
   30   1HG1  ILE   4          HG12      ILE   4  11.460   4.323  -3.410
   31   2HG1  ILE   4          HG13      ILE   4  11.012   2.674  -3.843
   32   1HG2  ILE   4          HG21      ILE   4  14.012   4.598  -5.233
   33   2HG2  ILE   4          HG22      ILE   4  13.144   5.177  -6.636
   34   3HG2  ILE   4          HG23      ILE   4  12.704   5.781  -5.029
   35   1HD1  ILE   4          HD11      ILE   4  13.849   3.587  -3.291
   36   2HD1  ILE   4          HD12      ILE   4  12.802   2.685  -2.198
   37   3HD1  ILE   4          HD13      ILE   4  13.346   1.940  -3.712
   38    H    PHE   5           H        PHE   5  10.175   6.030  -7.818
   39    HA   PHE   5           HA       PHE   5  10.819   4.631 -10.315
   40   1HB   PHE   5          HB2       PHE   5  10.131   7.526  -9.611
   41   2HB   PHE   5          HB3       PHE   5  10.460   6.972 -11.237
   42    HD1  PHE   5           HD1      PHE   5   8.975   5.085 -12.223
   43    HD2  PHE   5           HD2      PHE   5   7.906   7.360  -8.711
   44    HE1  PHE   5           HE1      PHE   5   6.602   4.430 -12.517
   45    HE2  PHE   5           HE2      PHE   5   5.531   6.701  -9.021
   46    HZ   PHE   5           HZ       PHE   5   4.877   5.235 -10.917
   47    H    VAL   6           H        VAL   6  12.914   4.676 -11.229
   48    HA   VAL   6           HA       VAL   6  14.835   6.551 -10.024
   49    HB   VAL   6           HB       VAL   6  14.553   4.629  -8.513
   50   1HG1  VAL   6          HG11      VAL   6  14.090   2.838 -10.110
   51   2HG1  VAL   6          HG12      VAL   6  15.787   2.893 -10.655
   52   3HG1  VAL   6          HG13      VAL   6  15.387   2.445  -8.984
   53   1HG2  VAL   6          HG21      VAL   6  16.536   5.691  -8.175
   54   2HG2  VAL   6          HG22      VAL   6  17.059   4.032  -8.420
   55   3HG2  VAL   6          HG23      VAL   6  17.212   5.209  -9.738
   56    H    CYS   7           H        CYS   7  16.210   7.382 -11.352
   57    HA   CYS   7           HA       CYS   7  17.064   5.916 -13.772
   58   1HB   CYS   7          HB2       CYS   7  15.201   7.633 -14.254
   59   2HB   CYS   7          HB3       CYS   7  16.360   8.878 -13.780
   60    HG   CYS   7           HG       CYS   7  16.103   8.672 -16.376
   61    H    THR   8           H        THR   8  19.197   6.720 -14.509
   62    HA   THR   8           HA       THR   8  20.912   6.379 -12.487
   63    HB   THR   8           HB       THR   8  21.700   7.856 -15.018
   64    HG1  THR   8           HG1      THR   8  21.492   5.922 -16.094
   65   1HG2  THR   8          HG21      THR   8  23.519   7.236 -13.405
   66   2HG2  THR   8          HG22      THR   8  23.014   5.532 -13.528
   67   3HG2  THR   8          HG23      THR   8  23.659   6.382 -14.949
   68    H    GLY   9           H        GLY   9  20.038   9.531 -13.880
   69   1HA   GLY   9          HA2       GLY   9  20.986  10.925 -11.443
   70   2HA   GLY   9          HA3       GLY   9  20.887  11.651 -13.080
   71    H    ASN  10           H        ASN  10  19.145  11.241 -10.253
   72    HA   ASN  10           HA       ASN  10  16.725  10.283 -10.746
   73   1HB   ASN  10          HB2       ASN  10  17.369  11.014  -8.544
   74   2HB   ASN  10          HB3       ASN  10  17.484  12.692  -9.077
   75   1HD2  ASN  10          HD22      ASN  10  15.777  13.950  -8.422
   76   2HD2  ASN  10          HD21      ASN  10  14.212  13.298  -7.984
   77    H    THR  11           H        THR  11  17.704  13.611 -11.632
   78    HA   THR  11           HA       THR  11  15.152  14.681 -12.166
   79    HB   THR  11           HB       THR  11  16.643  16.330 -13.513
   80    HG1  THR  11           HG1      THR  11  18.430  15.054 -13.960
   81   1HG2  THR  11          HG21      THR  11  17.634  17.235 -11.461
   82   2HG2  THR  11          HG22      THR  11  15.999  16.632 -11.115
   83   3HG2  THR  11          HG23      THR  11  17.419  15.687 -10.626
   84    H    CYS  12           H        CYS  12  16.970  12.355 -14.035
   85    HA   CYS  12           HA       CYS  12  15.782  12.959 -16.610
   86   1HB   CYS  12          HB2       CYS  12  17.250  10.511 -15.573
   87   2HB   CYS  12          HB3       CYS  12  16.833  10.831 -17.267
   88    HG   CYS  12           HG       CYS  12  19.392  11.239 -16.895
   89    H    ARG  13           H        ARG  13  13.637  13.128 -15.426
   90    HA   ARG  13           HA       ARG  13  11.511  12.599 -15.831
   91   1HB   ARG  13          HB2       ARG  13  12.553  10.958 -17.622
   92   2HB   ARG  13          HB3       ARG  13  12.030   9.710 -16.484
   93   1HG   ARG  13          HG2       ARG  13   9.695  10.903 -16.605
   94   2HG   ARG  13          HG3       ARG  13  10.363  11.747 -18.002
   95   1HD   ARG  13          HD2       ARG  13   9.857   8.779 -17.625
   96   2HD   ARG  13          HD3       ARG  13   9.122   9.853 -18.803
   97    HE   ARG  13           HE       ARG  13  11.139   9.907 -20.085
   98   1HH1  ARG  13          HH21      ARG  13  11.097   7.349 -17.601
   99   2HH1  ARG  13          HH22      ARG  13  12.256   6.385 -18.492
  100   1HH2  ARG  13          HH11      ARG  13  12.812   8.681 -21.007
  101   2HH2  ARG  13          HH12      ARG  13  13.403   7.234 -20.239
  102    H    SER  14           H        SER  14  13.344  10.513 -13.593
  103    HA   SER  14           HA       SER  14  11.258   9.049 -12.572
  104   1HB   SER  14          HB2       SER  14  13.520  10.207 -10.927
  105   2HB   SER  14          HB3       SER  14  12.593   8.734 -10.599
  106    HG   SER  14           HG       SER  14  13.406   7.875 -12.566
  107    HA   PRO  15           HA       PRO  15   9.762  12.313  -9.520
  108   1HB   PRO  15          HB2       PRO  15  10.223  14.984  -9.832
  109   2HB   PRO  15          HB3       PRO  15  11.302  13.884  -8.924
  110   1HG   PRO  15          HG2       PRO  15  11.606  14.811 -11.794
  111   2HG   PRO  15          HG3       PRO  15  12.845  14.794 -10.496
  112   1HD   PRO  15          HD2       PRO  15  12.684  12.804 -12.318
  113   2HD   PRO  15          HD3       PRO  15  13.065  12.449 -10.605
  114    H    MET  16           H        MET  16   9.881  13.057 -13.010
  115    HA   MET  16           HA       MET  16   7.301  14.332 -13.134
  116   1HB   MET  16          HB2       MET  16   8.724  12.659 -15.251
  117   2HB   MET  16          HB3       MET  16   7.292  13.627 -15.508
  118   1HG   MET  16          HG2       MET  16   8.489  15.674 -15.190
  119   2HG   MET  16          HG3       MET  16   9.901  14.834 -14.549
  120   1HE   MET  16          HE1       MET  16   7.832  13.696 -17.854
  121   2HE   MET  16          HE2       MET  16   7.710  15.476 -17.760
  122   3HE   MET  16          HE3       MET  16   8.678  14.717 -19.038
  123    H    ALA  17           H        ALA  17   8.512  10.988 -13.440
  124    HA   ALA  17           HA       ALA  17   5.973   9.802 -13.886
  125   1HB   ALA  17          HB1       ALA  17   7.105   7.674 -13.379
  126   2HB   ALA  17          HB2       ALA  17   8.175   8.682 -14.382
  127   3HB   ALA  17          HB3       ALA  17   8.460   8.537 -12.632
  128    H    GLU  18           H        GLU  18   7.797  10.436 -10.910
  129    HA   GLU  18           HA       GLU  18   6.002   9.215  -9.118
  130   1HB   GLU  18          HB2       GLU  18   8.324  10.123  -8.600
  131   2HB   GLU  18          HB3       GLU  18   7.655  11.752  -8.709
  132   1HG   GLU  18          HG2       GLU  18   6.007  10.994  -6.847
  133   2HG   GLU  18          HG3       GLU  18   7.110   9.621  -6.642
  134    H    ALA  19           H        ALA  19   6.040  12.562 -10.370
  135    HA   ALA  19           HA       ALA  19   3.794  13.378  -8.801
  136   1HB   ALA  19          HB1       ALA  19   5.542  14.896  -9.770
  137   2HB   ALA  19          HB2       ALA  19   4.864  14.597 -11.388
  138   3HB   ALA  19          HB3       ALA  19   3.899  15.414 -10.137
  139    H    LEU  20           H        LEU  20   4.110  12.141 -12.091
  140    HA   LEU  20           HA       LEU  20   1.363  12.582 -12.756
  141   1HB   LEU  20          HB2       LEU  20   3.602  11.970 -14.231
  142   2HB   LEU  20          HB3       LEU  20   2.793  10.415 -14.195
  143    HG   LEU  20           HG       LEU  20   1.724  13.074 -15.221
  144   1HD1  LEU  20          HD11      LEU  20   3.343  11.969 -16.692
  145   2HD1  LEU  20          HD12      LEU  20   2.365  10.483 -16.677
  146   3HD1  LEU  20          HD13      LEU  20   1.729  11.971 -17.406
  147   1HD2  LEU  20          HD21      LEU  20  -0.197  11.872 -14.276
  148   2HD2  LEU  20          HD22      LEU  20  -0.266  11.842 -16.032
  149   3HD2  LEU  20          HD23      LEU  20   0.286  10.399 -15.146
  150    H    PHE  21           H        PHE  21   3.186   9.800 -11.380
  151    HA   PHE  21           HA       PHE  21   0.862   8.129 -11.513
  152   1HB   PHE  21          HB2       PHE  21   3.240   7.227 -11.348
  153   2HB   PHE  21          HB3       PHE  21   3.156   7.592  -9.617
  154    HD1  PHE  21           HD1      PHE  21   1.503   5.762 -12.420
  155    HD2  PHE  21           HD2      PHE  21   1.776   6.127  -8.134
  156    HE1  PHE  21           HE1      PHE  21  -0.056   3.881 -12.169
  157    HE2  PHE  21           HE2      PHE  21   0.222   4.222  -7.891
  158    HZ   PHE  21           HZ       PHE  21  -0.730   3.114  -9.904
  159    H    LYS  22           H        LYS  22   2.184  10.280  -8.980
  160    HA   LYS  22           HA       LYS  22   0.296   9.580  -6.977
  161   1HB   LYS  22          HB2       LYS  22   1.653  12.232  -7.639
  162   2HB   LYS  22          HB3       LYS  22   0.539  12.057  -6.276
  163   1HG   LYS  22          HG2       LYS  22   1.946  10.359  -5.234
  164   2HG   LYS  22          HG3       LYS  22   2.982  10.311  -6.648
  165   1HD   LYS  22          HD2       LYS  22   4.094  11.550  -4.899
  166   2HD   LYS  22          HD3       LYS  22   3.722  12.629  -6.252
  167   1HE   LYS  22          HE2       LYS  22   1.721  13.470  -5.022
  168   2HE   LYS  22          HE3       LYS  22   2.084  12.371  -3.684
  169   1HZ   LYS  22          HZ1       LYS  22   4.160  13.584  -3.342
  170   2HZ   LYS  22          HZ2       LYS  22   3.825  14.597  -4.583
  171   3HZ   LYS  22          HZ3       LYS  22   2.893  14.600  -3.248
  172    H    SER  23           H        SER  23   0.043  11.903  -9.671
  173    HA   SER  23           HA       SER  23  -2.608  12.674  -9.030
  174   1HB   SER  23          HB2       SER  23  -1.275  12.622 -11.768
  175   2HB   SER  23          HB3       SER  23  -2.665  13.613 -11.275
  176    HG   SER  23           HG       SER  23   0.030  13.747 -10.353
  177    H    ILE  24           H        ILE  24  -1.448   9.997 -11.099
  178    HA   ILE  24           HA       ILE  24  -4.102   9.258 -11.902
  179    HB   ILE  24           HB       ILE  24  -1.487   7.728 -12.001
  180   1HG1  ILE  24          HG12      ILE  24  -3.243   8.912 -14.218
  181   2HG1  ILE  24          HG13      ILE  24  -1.893   9.782 -13.507
  182   1HG2  ILE  24          HG21      ILE  24  -4.260   6.953 -13.016
  183   2HG2  ILE  24          HG22      ILE  24  -2.760   6.107 -13.487
  184   3HG2  ILE  24          HG23      ILE  24  -3.295   6.075 -11.818
  185   1HD1  ILE  24          HD11      ILE  24  -0.317   8.075 -14.266
  186   2HD1  ILE  24          HD12      ILE  24  -1.638   7.146 -15.015
  187   3HD1  ILE  24          HD13      ILE  24  -1.245   8.749 -15.622
  188    H    ALA  25           H        ALA  25  -2.034   8.273  -9.184
  189    HA   ALA  25           HA       ALA  25  -3.727   6.210  -8.227
  190   1HB   ALA  25          HB1       ALA  25  -1.390   6.472  -7.472
  191   2HB   ALA  25          HB2       ALA  25  -1.805   8.015  -6.688
  192   3HB   ALA  25          HB3       ALA  25  -2.509   6.500  -6.096
  193    H    GLU  26           H        GLU  26  -3.698   9.737  -7.694
  194    HA   GLU  26           HA       GLU  26  -5.827   9.723  -5.821
  195   1HB   GLU  26          HB2       GLU  26  -4.192  11.622  -6.280
  196   2HB   GLU  26          HB3       GLU  26  -5.092  11.958  -7.757
  197   1HG   GLU  26          HG2       GLU  26  -5.831  13.493  -6.096
  198   2HG   GLU  26          HG3       GLU  26  -7.146  12.366  -6.375
  199    H    ARG  27           H        ARG  27  -5.804   9.911  -9.406
  200    HA   ARG  27           HA       ARG  27  -8.619  10.212  -9.729
  201   1HB   ARG  27          HB2       ARG  27  -6.891   8.494 -11.563
  202   2HB   ARG  27          HB3       ARG  27  -8.448   9.192 -11.924
  203   1HG   ARG  27          HG2       ARG  27  -5.800  10.607 -11.687
  204   2HG   ARG  27          HG3       ARG  27  -6.792  10.413 -13.101
  205   1HD   ARG  27          HD2       ARG  27  -7.484  12.102 -10.651
  206   2HD   ARG  27          HD3       ARG  27  -6.897  12.724 -12.184
  207    HE   ARG  27           HE       ARG  27  -9.594  11.825 -11.525
  208   1HH1  ARG  27          HH11      ARG  27  -7.387  12.580 -14.205
  209   2HH1  ARG  27          HH12      ARG  27  -8.646  12.803 -15.362
  210   1HH2  ARG  27          HH21      ARG  27 -11.266  12.108 -13.068
  211   2HH2  ARG  27          HH22      ARG  27 -10.898  12.535 -14.695
  212    H    GLU  28           H        GLU  28  -6.668   7.264  -9.379
  213    HA   GLU  28           HA       GLU  28  -9.010   5.551  -9.644
  214   1HB   GLU  28          HB2       GLU  28  -6.093   4.961  -8.994
  215   2HB   GLU  28          HB3       GLU  28  -7.318   3.726  -9.278
  216   1HG   GLU  28          HG2       GLU  28  -6.281   5.764 -11.285
  217   2HG   GLU  28          HG3       GLU  28  -6.016   4.028 -11.287
  218    H    GLY  29           H        GLY  29  -7.428   7.040  -6.937
  219   1HA   GLY  29          HA2       GLY  29  -7.846   6.936  -4.681
  220   2HA   GLY  29          HA3       GLY  29  -9.157   5.768  -4.950
  221    H    LEU  30           H        LEU  30  -5.794   5.505  -6.143
  222    HA   LEU  30           HA       LEU  30  -5.684   2.749  -5.117
  223   1HB   LEU  30          HB2       LEU  30  -4.686   4.056  -7.414
  224   2HB   LEU  30          HB3       LEU  30  -3.245   3.736  -6.465
  225    HG   LEU  30           HG       LEU  30  -5.362   1.649  -7.147
  226   1HD1  LEU  30          HD11      LEU  30  -4.327   2.432  -9.209
  227   2HD1  LEU  30          HD12      LEU  30  -2.702   2.208  -8.523
  228   3HD1  LEU  30          HD13      LEU  30  -3.770   0.803  -8.834
  229   1HD2  LEU  30          HD21      LEU  30  -3.994   1.037  -5.161
  230   2HD2  LEU  30          HD22      LEU  30  -3.628  -0.001  -6.543
  231   3HD2  LEU  30          HD23      LEU  30  -2.510   1.304  -6.102
  232    H    ASN  31           H        ASN  31  -4.857   2.329  -3.133
  233    HA   ASN  31           HA       ASN  31  -3.494   4.360  -1.572
  234   1HB   ASN  31          HB2       ASN  31  -4.960   2.761  -0.457
  235   2HB   ASN  31          HB3       ASN  31  -4.014   1.404  -1.081
  236   1HD2  ASN  31          HD22      ASN  31  -3.380   0.580   0.984
  237   2HD2  ASN  31          HD21      ASN  31  -2.306   1.456   2.044
  238    H    VAL  32           H        VAL  32  -1.452   4.930  -2.232
  239    HA   VAL  32           HA       VAL  32   0.638   2.864  -2.183
  240    HB   VAL  32           HB       VAL  32   1.727   3.788  -4.196
  241   1HG1  VAL  32          HG11      VAL  32   0.293   1.771  -4.418
  242   2HG1  VAL  32          HG12      VAL  32  -1.055   2.818  -4.918
  243   3HG1  VAL  32          HG13      VAL  32   0.425   2.737  -5.895
  244   1HG2  VAL  32          HG21      VAL  32   0.686   6.048  -4.275
  245   2HG2  VAL  32          HG22      VAL  32   0.567   5.193  -5.810
  246   3HG2  VAL  32          HG23      VAL  32  -0.855   5.309  -4.755
  247    H    ASN  33           H        ASN  33   2.797   3.896  -2.068
  248    HA   ASN  33           HA       ASN  33   2.850   6.808  -1.680
  249   1HB   ASN  33          HB2       ASN  33   3.529   5.740   0.519
  250   2HB   ASN  33          HB3       ASN  33   4.737   4.790  -0.364
  251   1HD2  ASN  33          HD22      ASN  33   6.667   5.691   0.444
  252   2HD2  ASN  33          HD21      ASN  33   7.050   7.401   0.302
  253    H    VAL  34           H        VAL  34   4.612   7.676  -2.927
  254    HA   VAL  34           HA       VAL  34   6.219   5.768  -4.413
  255    HB   VAL  34           HB       VAL  34   5.925   6.836  -6.562
  256   1HG1  VAL  34          HG11      VAL  34   3.832   5.912  -7.203
  257   2HG1  VAL  34          HG12      VAL  34   4.366   4.906  -5.850
  258   3HG1  VAL  34          HG13      VAL  34   3.124   6.132  -5.592
  259   1HG2  VAL  34          HG21      VAL  34   5.137   9.098  -5.748
  260   2HG2  VAL  34          HG22      VAL  34   4.169   8.400  -7.064
  261   3HG2  VAL  34          HG23      VAL  34   3.574   8.370  -5.385
  262    H    ARG  35           H        ARG  35   8.210   6.521  -4.992
  263    HA   ARG  35           HA       ARG  35   9.185   9.101  -3.888
  264   1HB   ARG  35          HB2       ARG  35  10.575   6.387  -3.884
  265   2HB   ARG  35          HB3       ARG  35  11.150   7.837  -3.092
  266   1HG   ARG  35          HG2       ARG  35   8.685   6.258  -2.192
  267   2HG   ARG  35          HG3       ARG  35  10.317   5.965  -1.631
  268   1HD   ARG  35          HD2       ARG  35   9.260   7.295   0.020
  269   2HD   ARG  35          HD3       ARG  35  10.457   8.317  -0.796
  270    HE   ARG  35           HE       ARG  35   7.869   8.526  -2.055
  271   1HH1  ARG  35          HH21      ARG  35   9.601   9.765   0.793
  272   2HH1  ARG  35          HH22      ARG  35   8.652  11.202   0.885
  273   1HH2  ARG  35          HH11      ARG  35   6.657  10.323  -1.951
  274   2HH2  ARG  35          HH12      ARG  35   6.902  11.544  -0.738
  275    H    SER  36           H        SER  36  11.360   9.587  -4.929
  276    HA   SER  36           HA       SER  36  11.976   7.939  -7.208
  277   1HB   SER  36          HB2       SER  36  12.295   9.979  -8.709
  278   2HB   SER  36          HB3       SER  36  10.644   9.424  -8.423
  279    HG   SER  36           HG       SER  36  10.394  11.061  -6.858
  280    H    ALA  37           H        ALA  37  14.146   8.017  -7.893
  281    HA   ALA  37           HA       ALA  37  16.113   9.534  -6.322
  282   1HB   ALA  37          HB1       ALA  37  17.083   7.522  -5.298
  283   2HB   ALA  37          HB2       ALA  37  15.418   7.722  -4.762
  284   3HB   ALA  37          HB3       ALA  37  15.796   6.514  -6.007
  285    H    GLY  38           H        GLY  38  18.347   8.276  -6.821
  286   1HA   GLY  38          HA2       GLY  38  18.402   6.964  -9.432
  287   2HA   GLY  38          HA3       GLY  38  19.247   8.508  -9.393
  288    H    VAL  39           H        VAL  39  20.400   5.799  -9.812
  289    HA   VAL  39           HA       VAL  39  21.768   4.996  -7.415
  290    HB   VAL  39           HB       VAL  39  23.386   3.893  -9.115
  291   1HG1  VAL  39          HG11      VAL  39  20.451   3.203  -8.855
  292   2HG1  VAL  39          HG12      VAL  39  21.635   2.140  -9.656
  293   3HG1  VAL  39          HG13      VAL  39  21.823   2.566  -7.944
  294   1HG2  VAL  39          HG21      VAL  39  22.594   3.539 -11.372
  295   2HG2  VAL  39          HG22      VAL  39  21.153   4.497 -11.090
  296   3HG2  VAL  39          HG23      VAL  39  22.729   5.292 -11.105
  297    H    PHE  40           H        PHE  40  22.428   7.583  -9.728
  298    HA   PHE  40           HA       PHE  40  24.797   8.339  -8.106
  299   1HB   PHE  40          HB2       PHE  40  24.590   8.249 -11.141
  300   2HB   PHE  40          HB3       PHE  40  25.877   9.058 -10.259
  301    HD1  PHE  40           HD1      PHE  40  27.330   7.717  -8.630
  302    HD2  PHE  40           HD2      PHE  40  24.794   5.865 -11.590
  303    HE1  PHE  40           HE1      PHE  40  28.634   5.614  -8.442
  304    HE2  PHE  40           HE2      PHE  40  26.099   3.771 -11.395
  305    HZ   PHE  40           HZ       PHE  40  28.019   3.636  -9.821
  306    H    ALA  41           H        ALA  41  21.989   9.155  -7.960
  307    HA   ALA  41           HA       ALA  41  21.867  11.936  -8.893
  308   1HB   ALA  41          HB1       ALA  41  19.803  10.579  -8.588
  309   2HB   ALA  41          HB2       ALA  41  20.194  10.370  -6.872
  310   3HB   ALA  41          HB3       ALA  41  19.814  11.982  -7.505
  311    H    SER  42           H        SER  42  21.465  13.583  -7.041
  312    HA   SER  42           HA       SER  42  23.308  13.167  -4.775
  313   1HB   SER  42          HB2       SER  42  23.278  15.608  -6.587
  314   2HB   SER  42          HB3       SER  42  24.307  15.366  -5.163
  315    HG   SER  42           HG       SER  42  25.386  14.879  -7.132
  316    HA   PRO  43           HA       PRO  43  19.895  14.794  -2.482
  317   1HB   PRO  43          HB2       PRO  43  22.018  16.100  -0.783
  318   2HB   PRO  43          HB3       PRO  43  20.538  15.220  -0.269
  319   1HG   PRO  43          HG2       PRO  43  22.849  13.877  -0.276
  320   2HG   PRO  43          HG3       PRO  43  21.420  13.133  -1.096
  321   1HD   PRO  43          HD2       PRO  43  23.674  14.724  -2.377
  322   2HD   PRO  43          HD3       PRO  43  23.054  13.100  -2.793
  323    H    ASN  44           H        ASN  44  21.506  16.945  -4.431
  324    HA   ASN  44           HA       ASN  44  19.634  19.110  -3.771
  325   1HB   ASN  44          HB2       ASN  44  21.737  19.573  -2.496
  326   2HB   ASN  44          HB3       ASN  44  22.621  19.630  -4.028
  327   1HD2  ASN  44          HD22      ASN  44  19.608  21.064  -2.541
  328   2HD2  ASN  44          HD21      ASN  44  19.904  22.669  -3.147
  329    H    GLY  45           H        GLY  45  20.124  17.047  -5.965
  330   1HA   GLY  45          HA2       GLY  45  20.200  18.788  -8.370
  331   2HA   GLY  45          HA3       GLY  45  19.766  17.067  -8.300
  332    H    LYS  46           H        LYS  46  17.984  19.033  -9.540
  333    HA   LYS  46           HA       LYS  46  15.623  18.556  -7.927
  334   1HB   LYS  46          HB2       LYS  46  14.946  20.917  -7.725
  335   2HB   LYS  46          HB3       LYS  46  16.373  20.542  -6.774
  336   1HG   LYS  46          HG2       LYS  46  17.812  21.577  -8.543
  337   2HG   LYS  46          HG3       LYS  46  16.370  21.971  -9.483
  338   1HD   LYS  46          HD2       LYS  46  16.984  22.999  -6.678
  339   2HD   LYS  46          HD3       LYS  46  17.278  23.883  -8.182
  340   1HE   LYS  46          HE2       LYS  46  14.839  23.783  -8.711
  341   2HE   LYS  46          HE3       LYS  46  14.548  22.963  -7.170
  342   1HZ   LYS  46          HZ1       LYS  46  14.138  25.333  -7.002
  343   2HZ   LYS  46          HZ2       LYS  46  15.389  24.939  -6.036
  344   3HZ   LYS  46          HZ3       LYS  46  15.656  25.696  -7.461
  345    H    ALA  47           H        ALA  47  13.668  19.287  -8.990
  346    HA   ALA  47           HA       ALA  47  13.415  18.274 -11.541
  347   1HB   ALA  47          HB1       ALA  47  11.687  20.469 -10.312
  348   2HB   ALA  47          HB2       ALA  47  11.215  19.357 -11.612
  349   3HB   ALA  47          HB3       ALA  47  11.540  18.724  -9.985
  350    H    THR  48           H        THR  48  13.553  19.007 -13.666
  351    HA   THR  48           HA       THR  48  15.330  21.205 -14.028
  352    HB   THR  48           HB       THR  48  15.402  20.582 -16.323
  353    HG1  THR  48           HG1      THR  48  13.916  19.117 -17.199
  354   1HG2  THR  48          HG21      THR  48  14.813  17.970 -14.880
  355   2HG2  THR  48          HG22      THR  48  15.887  18.241 -16.266
  356   3HG2  THR  48          HG23      THR  48  16.323  18.896 -14.671
  357    HA   PRO  49           HA       PRO  49  12.627  24.632 -14.906
  358   1HB   PRO  49          HB2       PRO  49  14.111  24.891 -17.528
  359   2HB   PRO  49          HB3       PRO  49  13.677  26.170 -16.351
  360   1HG   PRO  49          HG2       PRO  49  16.194  25.178 -16.407
  361   2HG   PRO  49          HG3       PRO  49  15.377  25.446 -14.831
  362   1HD   PRO  49          HD2       PRO  49  15.713  22.859 -16.360
  363   2HD   PRO  49          HD3       PRO  49  15.914  23.181 -14.610
  364    H    HIS  50           H        HIS  50  12.815  21.950 -17.192
  365    HA   HIS  50           HA       HIS  50  10.332  22.892 -18.508
  366   1HB   HIS  50          HB2       HIS  50  12.525  21.061 -19.479
  367   2HB   HIS  50          HB3       HIS  50  11.007  21.335 -20.343
  368    HD1  HIS  50           HD1      HIS  50  13.876  22.038 -21.645
  369    HD2  HIS  50           HD2      HIS  50  11.203  24.679 -19.714
  370    HE1  HIS  50           HE1      HIS  50  14.416  24.366 -22.496
  371    H    ALA  51           H        ALA  51  11.761  20.074 -16.812
  372    HA   ALA  51           HA       ALA  51   9.486  18.393 -17.159
  373   1HB   ALA  51          HB1       ALA  51  10.284  17.325 -15.026
  374   2HB   ALA  51          HB2       ALA  51  11.592  17.528 -16.201
  375   3HB   ALA  51          HB3       ALA  51  11.457  18.638 -14.827
  376    H    VAL  52           H        VAL  52  10.361  20.787 -14.683
  377    HA   VAL  52           HA       VAL  52   8.037  20.429 -13.146
  378    HB   VAL  52           HB       VAL  52  10.402  21.494 -12.713
  379   1HG1  VAL  52          HG11      VAL  52  10.206  23.398 -14.250
  380   2HG1  VAL  52          HG12      VAL  52   8.910  24.063 -13.210
  381   3HG1  VAL  52          HG13      VAL  52  10.565  23.854 -12.582
  382   1HG2  VAL  52          HG21      VAL  52   8.873  21.066 -10.956
  383   2HG2  VAL  52          HG22      VAL  52   9.591  22.659 -10.712
  384   3HG2  VAL  52          HG23      VAL  52   7.928  22.530 -11.342
  385    H    GLU  53           H        GLU  53   8.788  22.575 -15.840
  386    HA   GLU  53           HA       GLU  53   6.365  24.045 -15.633
  387   1HB   GLU  53          HB2       GLU  53   8.352  24.944 -16.713
  388   2HB   GLU  53          HB3       GLU  53   8.267  23.712 -17.984
  389   1HG   GLU  53          HG2       GLU  53   6.200  24.655 -18.844
  390   2HG   GLU  53          HG3       GLU  53   6.046  25.722 -17.444
  391    H    ALA  54           H        ALA  54   7.323  21.137 -17.448
  392    HA   ALA  54           HA       ALA  54   4.982  20.916 -19.009
  393   1HB   ALA  54          HB1       ALA  54   6.861  18.726 -17.994
  394   2HB   ALA  54          HB2       ALA  54   5.683  18.540 -19.304
  395   3HB   ALA  54          HB3       ALA  54   7.045  19.648 -19.501
  396    H    LEU  55           H        LEU  55   5.761  19.660 -15.760
  397    HA   LEU  55           HA       LEU  55   3.096  18.428 -15.552
  398   1HB   LEU  55          HB2       LEU  55   5.448  18.743 -13.711
  399   2HB   LEU  55          HB3       LEU  55   3.879  18.276 -13.048
  400    HG   LEU  55           HG       LEU  55   5.449  16.384 -13.453
  401   1HD1  LEU  55          HD11      LEU  55   3.806  14.842 -14.380
  402   2HD1  LEU  55          HD12      LEU  55   3.048  15.981 -13.270
  403   3HD1  LEU  55          HD13      LEU  55   2.863  16.197 -15.033
  404   1HD2  LEU  55          HD21      LEU  55   4.913  16.819 -16.422
  405   2HD2  LEU  55          HD22      LEU  55   6.464  17.089 -15.596
  406   3HD2  LEU  55          HD23      LEU  55   5.778  15.462 -15.686
  407    H    PHE  56           H        PHE  56   4.481  21.586 -14.718
  408    HA   PHE  56           HA       PHE  56   2.208  22.366 -13.123
  409   1HB   PHE  56          HB2       PHE  56   4.337  23.619 -13.077
  410   2HB   PHE  56          HB3       PHE  56   4.101  24.094 -14.761
  411    HD1  PHE  56           HD1      PHE  56   2.207  24.100 -11.494
  412    HD2  PHE  56           HD2      PHE  56   3.110  26.222 -15.142
  413    HE1  PHE  56           HE1      PHE  56   0.718  25.931 -10.788
  414    HE2  PHE  56           HE2      PHE  56   1.655  28.091 -14.403
  415    HZ   PHE  56           HZ       PHE  56   0.448  27.954 -12.230
  416    H    GLU  57           H        GLU  57   2.916  22.523 -16.657
  417    HA   GLU  57           HA       GLU  57   0.410  23.717 -17.331
  418   1HB   GLU  57          HB2       GLU  57   2.424  23.653 -18.774
  419   2HB   GLU  57          HB3       GLU  57   2.210  21.912 -18.979
  420   1HG   GLU  57          HG2       GLU  57   0.027  22.298 -20.077
  421   2HG   GLU  57          HG3       GLU  57   0.161  24.035 -19.766
  422    H    LYS  58           H        LYS  58   1.407  20.245 -16.968
  423    HA   LYS  58           HA       LYS  58  -1.220  19.215 -17.524
  424   1HB   LYS  58          HB2       LYS  58   0.924  17.908 -17.498
  425   2HB   LYS  58          HB3       LYS  58   0.897  17.964 -15.728
  426   1HG   LYS  58          HG2       LYS  58  -1.083  16.642 -15.604
  427   2HG   LYS  58          HG3       LYS  58  -1.462  16.863 -17.307
  428   1HD   LYS  58          HD2       LYS  58   0.999  15.361 -16.322
  429   2HD   LYS  58          HD3       LYS  58  -0.551  14.574 -16.601
  430   1HE   LYS  58          HE2       LYS  58   0.966  16.147 -18.724
  431   2HE   LYS  58          HE3       LYS  58   1.104  14.396 -18.495
  432   1HZ   LYS  58          HZ1       LYS  58  -1.254  14.180 -18.961
  433   2HZ   LYS  58          HZ2       LYS  58  -1.423  15.798 -19.176
  434   3HZ   LYS  58          HZ3       LYS  58  -0.519  14.924 -20.216
  435    H    HIS  59           H        HIS  59  -0.154  21.118 -14.927
  436    HA   HIS  59           HA       HIS  59  -1.134  21.986 -13.160
  437   1HB   HIS  59          HB2       HIS  59  -3.143  22.096 -14.668
  438   2HB   HIS  59          HB3       HIS  59  -3.758  20.651 -13.861
  439    HD1  HIS  59           HD1      HIS  59  -5.317  21.275 -11.844
  440    HD2  HIS  59           HD2      HIS  59  -2.376  24.156 -12.730
  441    HE1  HIS  59           HE1      HIS  59  -5.707  23.210 -10.237
  442    H    ILE  60           H        ILE  60   0.493  20.035 -12.770
  443    HA   ILE  60           HA       ILE  60  -0.593  18.522 -10.437
  444    HB   ILE  60           HB       ILE  60   1.562  17.771 -12.440
  445   1HG1  ILE  60          HG12      ILE  60  -1.100  16.464 -11.704
  446   2HG1  ILE  60          HG13      ILE  60  -0.809  17.406 -13.155
  447   1HG2  ILE  60          HG21      ILE  60   0.740  16.324  -9.881
  448   2HG2  ILE  60          HG22      ILE  60   1.843  15.682 -11.111
  449   3HG2  ILE  60          HG23      ILE  60   2.310  17.098 -10.194
  450   1HD1  ILE  60          HD11      ILE  60   0.797  15.779 -13.981
  451   2HD1  ILE  60          HD12      ILE  60   0.562  14.757 -12.546
  452   3HD1  ILE  60          HD13      ILE  60  -0.777  15.034 -13.665
  453    H    ALA  61           H        ALA  61   1.738  20.847 -11.625
  454    HA   ALA  61           HA       ALA  61   3.331  22.104 -10.653
  455   1HB   ALA  61          HB1       ALA  61   1.342  22.985  -9.498
  456   2HB   ALA  61          HB2       ALA  61   1.597  21.833  -8.172
  457   3HB   ALA  61          HB3       ALA  61   2.803  23.093  -8.496
  458    H    LEU  62           H        LEU  62   4.689  20.207 -11.083
  459    HA   LEU  62           HA       LEU  62   5.620  18.383  -9.089
  460   1HB   LEU  62          HB2       LEU  62   5.901  18.391 -11.634
  461   2HB   LEU  62          HB3       LEU  62   7.143  19.609 -11.434
  462    HG   LEU  62           HG       LEU  62   7.168  16.675 -10.608
  463   1HD1  LEU  62          HD11      LEU  62   7.593  17.269 -13.008
  464   2HD1  LEU  62          HD12      LEU  62   8.972  18.257 -12.491
  465   3HD1  LEU  62          HD13      LEU  62   8.977  16.501 -12.225
  466   1HD2  LEU  62          HD21      LEU  62   9.644  17.142 -10.045
  467   2HD2  LEU  62          HD22      LEU  62   9.154  18.831  -9.852
  468   3HD2  LEU  62          HD23      LEU  62   8.431  17.536  -8.845
  469    H    ASN  63           H        ASN  63   7.220  18.694  -7.511
  470    HA   ASN  63           HA       ASN  63   9.149  20.810  -7.737
  471   1HB   ASN  63          HB2       ASN  63   6.845  21.413  -6.111
  472   2HB   ASN  63          HB3       ASN  63   8.161  21.039  -5.002
  473   1HD2  ASN  63          HD22      ASN  63   7.724  22.776  -8.144
  474   2HD2  ASN  63          HD21      ASN  63   8.660  24.191  -7.685
  475    H    HIS  64           H        HIS  64  11.030  19.761  -7.173
  476    HA   HIS  64           HA       HIS  64  10.983  17.583  -5.202
  477   1HB   HIS  64          HB2       HIS  64  10.187  16.613  -7.424
  478   2HB   HIS  64          HB3       HIS  64  11.740  17.078  -8.129
  479    HD1  HIS  64           HD1      HIS  64  10.196  14.470  -5.784
  480    HD2  HIS  64           HD2      HIS  64  13.910  15.668  -7.370
  481    HE1  HIS  64           HE1      HIS  64  11.832  12.595  -5.278
  482    H    VAL  65           H        VAL  65  13.015  17.140  -4.425
  483    HA   VAL  65           HA       VAL  65  15.417  18.310  -5.706
  484    HB   VAL  65           HB       VAL  65  14.792  18.316  -2.723
  485   1HG1  VAL  65          HG11      VAL  65  17.185  17.797  -3.201
  486   2HG1  VAL  65          HG12      VAL  65  17.291  19.275  -4.184
  487   3HG1  VAL  65          HG13      VAL  65  16.984  19.377  -2.438
  488   1HG2  VAL  65          HG21      VAL  65  15.070  20.781  -2.908
  489   2HG2  VAL  65          HG22      VAL  65  15.219  20.628  -4.669
  490   3HG2  VAL  65          HG23      VAL  65  13.693  20.208  -3.857
  491    H    SER  66           H        SER  66  16.662  16.669  -6.211
  492    HA   SER  66           HA       SER  66  16.009  13.965  -5.942
  493   1HB   SER  66          HB2       SER  66  18.645  15.335  -6.607
  494   2HB   SER  66          HB3       SER  66  18.207  13.673  -7.042
  495    HG   SER  66           HG       SER  66  17.870  15.368  -8.678
  496    H    SER  67           H        SER  67  17.474  12.232  -5.160
  497    HA   SER  67           HA       SER  67  19.482  12.683  -3.159
  498   1HB   SER  67          HB2       SER  67  16.800  11.420  -2.406
  499   2HB   SER  67          HB3       SER  67  18.285  11.176  -1.472
  500    HG   SER  67           HG       SER  67  17.526  13.792  -2.121
  501    HA   PRO  68           HA       PRO  68  20.546   8.872  -5.214
  502   1HB   PRO  68          HB2       PRO  68  22.189   7.577  -3.454
  503   2HB   PRO  68          HB3       PRO  68  22.658   9.091  -4.287
  504   1HG   PRO  68          HG2       PRO  68  21.494   8.786  -1.499
  505   2HG   PRO  68          HG3       PRO  68  22.942   9.723  -1.994
  506   1HD   PRO  68          HD2       PRO  68  20.513  10.904  -1.675
  507   2HD   PRO  68          HD3       PRO  68  21.618  11.410  -2.989
  508    H    LEU  69           H        LEU  69  20.112   6.589  -5.271
  509    HA   LEU  69           HA       LEU  69  18.011   5.627  -3.408
  510   1HB   LEU  69          HB2       LEU  69  17.690   5.126  -5.779
  511   2HB   LEU  69          HB3       LEU  69  19.290   4.395  -5.890
  512    HG   LEU  69           HG       LEU  69  18.647   2.535  -4.527
  513   1HD1  LEU  69          HD11      LEU  69  16.259   2.264  -3.695
  514   2HD1  LEU  69          HD12      LEU  69  17.185   3.468  -2.813
  515   3HD1  LEU  69          HD13      LEU  69  16.015   3.989  -4.043
  516   1HD2  LEU  69          HD21      LEU  69  16.951   1.488  -5.891
  517   2HD2  LEU  69          HD22      LEU  69  16.343   3.064  -6.429
  518   3HD2  LEU  69          HD23      LEU  69  17.967   2.513  -6.914
  519    H    THR  70           H        THR  70  18.645   4.773  -1.536
  520    HA   THR  70           HA       THR  70  21.114   3.196  -1.356
  521    HB   THR  70           HB       THR  70  21.270   4.374   1.007
  522    HG1  THR  70           HG1      THR  70  19.541   5.761   0.903
  523   1HG2  THR  70          HG21      THR  70  22.853   5.995   0.055
  524   2HG2  THR  70          HG22      THR  70  22.997   4.425  -0.757
  525   3HG2  THR  70          HG23      THR  70  22.149   5.764  -1.563
  526    H    GLU  71           H        GLU  71  21.093   1.962   0.816
  527    HA   GLU  71           HA       GLU  71  19.106   0.172   0.079
  528   1HB   GLU  71          HB2       GLU  71  21.426  -0.299   0.963
  529   2HB   GLU  71          HB3       GLU  71  20.831   0.043   2.592
  530   1HG   GLU  71          HG2       GLU  71  19.186  -1.830   2.347
  531   2HG   GLU  71          HG3       GLU  71  19.803  -2.147   0.724
  532    H    GLU  72           H        GLU  72  19.180   2.390   2.830
  533    HA   GLU  72           HA       GLU  72  17.046   1.205   4.283
  534   1HB   GLU  72          HB2       GLU  72  16.922   3.359   5.470
  535   2HB   GLU  72          HB3       GLU  72  18.565   2.728   5.356
  536   1HG   GLU  72          HG2       GLU  72  19.021   4.316   3.469
  537   2HG   GLU  72          HG3       GLU  72  17.396   4.979   3.662
  538    H    LEU  73           H        LEU  73  17.072   3.560   1.625
  539    HA   LEU  73           HA       LEU  73  14.238   4.066   1.776
  540   1HB   LEU  73          HB2       LEU  73  15.792   5.670   0.713
  541   2HB   LEU  73          HB3       LEU  73  16.200   4.462  -0.512
  542    HG   LEU  73           HG       LEU  73  13.862   4.487  -1.317
  543   1HD1  LEU  73          HD11      LEU  73  13.386   6.676   0.711
  544   2HD1  LEU  73          HD12      LEU  73  12.329   6.298  -0.671
  545   3HD1  LEU  73          HD13      LEU  73  12.568   5.092   0.588
  546   1HD2  LEU  73          HD21      LEU  73  15.554   5.950  -2.354
  547   2HD2  LEU  73          HD22      LEU  73  13.935   6.663  -2.419
  548   3HD2  LEU  73          HD23      LEU  73  15.118   7.250  -1.225
  549    H    MET  74           H        MET  74  16.377   1.894  -0.039
  550    HA   MET  74           HA       MET  74  14.416   0.686  -1.668
  551   1HB   MET  74          HB2       MET  74  16.251  -0.137  -2.547
  552   2HB   MET  74          HB3       MET  74  17.202   0.399  -1.188
  553   1HG   MET  74          HG2       MET  74  17.685  -1.878  -1.495
  554   2HG   MET  74          HG3       MET  74  16.752  -1.749  -0.023
  555   1HE   MET  74          HE1       MET  74  16.893  -3.113  -3.728
  556   2HE   MET  74          HE2       MET  74  15.224  -3.626  -4.011
  557   3HE   MET  74          HE3       MET  74  15.605  -1.895  -3.898
  558    H    GLU  75           H        GLU  75  15.489  -0.151   1.631
  559    HA   GLU  75           HA       GLU  75  13.611  -2.351   1.779
  560   1HB   GLU  75          HB2       GLU  75  15.546  -1.087   3.713
  561   2HB   GLU  75          HB3       GLU  75  14.342  -2.239   4.292
  562   1HG   GLU  75          HG2       GLU  75  16.246  -2.880   1.999
  563   2HG   GLU  75          HG3       GLU  75  16.599  -3.226   3.688
  564    H    SER  76           H        SER  76  13.401   1.068   2.588
  565    HA   SER  76           HA       SER  76  10.932   0.828   4.066
  566   1HB   SER  76          HB2       SER  76  11.940   3.113   2.315
  567   2HB   SER  76          HB3       SER  76  10.632   3.194   3.504
  568    HG   SER  76           HG       SER  76  13.387   2.642   3.987
  569    H    ALA  77           H        ALA  77  11.772   0.889   0.580
  570    HA   ALA  77           HA       ALA  77   8.986   0.980  -0.214
  571   1HB   ALA  77          HB1       ALA  77   9.848   0.988  -2.478
  572   2HB   ALA  77          HB2       ALA  77  10.684   2.161  -1.461
  573   3HB   ALA  77          HB3       ALA  77  11.484   0.613  -1.877
  574    H    ASP  78           H        ASP  78   8.248  -0.539  -1.983
  575    HA   ASP  78           HA       ASP  78   8.873  -3.380  -1.362
  576   1HB   ASP  78          HB2       ASP  78   6.618  -2.662  -0.574
  577   2HB   ASP  78          HB3       ASP  78   6.214  -2.183  -2.224
  578    H    LEU  79           H        LEU  79   8.292  -0.913  -3.842
  579    HA   LEU  79           HA       LEU  79   9.089  -2.846  -5.931
  580   1HB   LEU  79          HB2       LEU  79   6.548  -2.216  -5.815
  581   2HB   LEU  79          HB3       LEU  79   7.071  -0.615  -6.295
  582    HG   LEU  79           HG       LEU  79   8.186  -1.736  -8.343
  583   1HD1  LEU  79          HD11      LEU  79   8.185  -4.076  -7.524
  584   2HD1  LEU  79          HD12      LEU  79   6.414  -4.053  -7.426
  585   3HD1  LEU  79          HD13      LEU  79   7.221  -3.935  -8.999
  586   1HD2  LEU  79          HD21      LEU  79   6.022  -0.483  -8.470
  587   2HD2  LEU  79          HD22      LEU  79   6.148  -1.804  -9.634
  588   3HD2  LEU  79          HD23      LEU  79   5.159  -2.006  -8.179
  589    H    VAL  80           H        VAL  80  10.346  -1.924  -7.566
  590    HA   VAL  80           HA       VAL  80  11.204   0.884  -7.312
  591    HB   VAL  80           HB       VAL  80  13.069  -1.523  -7.478
  592   1HG1  VAL  80          HG11      VAL  80  13.982   0.397  -8.710
  593   2HG1  VAL  80          HG12      VAL  80  13.690   1.459  -7.316
  594   3HG1  VAL  80          HG13      VAL  80  14.885   0.151  -7.206
  595   1HG2  VAL  80          HG21      VAL  80  13.935  -0.725  -5.258
  596   2HG2  VAL  80          HG22      VAL  80  12.559   0.398  -5.181
  597   3HG2  VAL  80          HG23      VAL  80  12.291  -1.352  -5.186
  598    H    LEU  81           H        LEU  81  11.574   1.768  -9.362
  599    HA   LEU  81           HA       LEU  81  10.922   0.034 -11.655
  600   1HB   LEU  81          HB2       LEU  81   9.177   1.876 -10.335
  601   2HB   LEU  81          HB3       LEU  81   9.547   2.548 -11.916
  602    HG   LEU  81           HG       LEU  81   8.756  -0.404 -11.627
  603   1HD1  LEU  81          HD11      LEU  81   6.847   1.876 -12.238
  604   2HD1  LEU  81          HD12      LEU  81   6.493   0.142 -11.951
  605   3HD1  LEU  81          HD13      LEU  81   7.001   1.162 -10.610
  606   1HD2  LEU  81          HD21      LEU  81   8.058  -0.092 -13.954
  607   2HD2  LEU  81          HD22      LEU  81   8.659   1.576 -13.880
  608   3HD2  LEU  81          HD23      LEU  81   9.785   0.208 -13.713
  609    H    ALA  82           H        ALA  82  12.805   0.060 -12.619
  610    HA   ALA  82           HA       ALA  82  14.522   2.425 -12.477
  611   1HB   ALA  82          HB1       ALA  82  15.463   0.241 -11.799
  612   2HB   ALA  82          HB2       ALA  82  15.083  -0.425 -13.409
  613   3HB   ALA  82          HB3       ALA  82  16.287   0.867 -13.238
  614    H    MET  83           H        MET  83  14.909   3.680 -14.205
  615    HA   MET  83           HA       MET  83  13.359   3.400 -16.564
  616   1HB   MET  83          HB2       MET  83  15.579   5.247 -15.699
  617   2HB   MET  83          HB3       MET  83  14.998   5.275 -17.370
  618   1HG   MET  83          HG2       MET  83  13.710   6.900 -16.230
  619   2HG   MET  83          HG3       MET  83  12.667   5.517 -16.547
  620   1HE   MET  83          HE1       MET  83  10.898   6.507 -13.298
  621   2HE   MET  83          HE2       MET  83  11.127   7.156 -14.936
  622   3HE   MET  83          HE3       MET  83  10.704   5.433 -14.681
  623    H    THR  84           H        THR  84  16.487   1.827 -15.924
  624    HA   THR  84           HA       THR  84  16.250   0.767 -18.649
  625    HB   THR  84           HB       THR  84  18.603   0.945 -19.149
  626    HG1  THR  84           HG1      THR  84  19.941   2.248 -17.795
  627   1HG2  THR  84          HG21      THR  84  17.664   3.731 -18.360
  628   2HG2  THR  84          HG22      THR  84  18.892   3.307 -19.569
  629   3HG2  THR  84          HG23      THR  84  17.199   2.878 -19.852
  630    H    HIS  85           H        HIS  85  17.291  -1.314 -18.926
  631    HA   HIS  85           HA       HIS  85  17.096  -2.973 -16.618
  632   1HB   HIS  85          HB2       HIS  85  17.919  -4.761 -18.081
  633   2HB   HIS  85          HB3       HIS  85  16.606  -3.848 -18.809
  634    HD1  HIS  85           HD1      HIS  85  20.406  -4.403 -19.246
  635    HD2  HIS  85           HD2      HIS  85  17.085  -2.614 -21.125
  636    HE1  HIS  85           HE1      HIS  85  21.182  -3.710 -21.565
  637    H    GLN  86           H        GLN  86  19.823  -1.408 -18.272
  638    HA   GLN  86           HA       GLN  86  21.888  -2.628 -16.765
  639   1HB   GLN  86          HB2       GLN  86  22.358  -1.316 -18.784
  640   2HB   GLN  86          HB3       GLN  86  21.737   0.147 -18.015
  641   1HG   GLN  86          HG2       GLN  86  24.168   0.172 -18.042
  642   2HG   GLN  86          HG3       GLN  86  23.594   0.120 -16.387
  643   1HE2  GLN  86          HE22      GLN  86  23.805  -1.966 -15.176
  644   2HE2  GLN  86          HE21      GLN  86  25.031  -3.107 -15.685
  645    H    HIS  87           H        HIS  87  19.949   0.324 -16.099
  646    HA   HIS  87           HA       HIS  87  21.148   0.896 -13.616
  647   1HB   HIS  87          HB2       HIS  87  19.771   2.416 -14.983
  648   2HB   HIS  87          HB3       HIS  87  18.330   1.474 -14.601
  649    HD1  HIS  87           HD1      HIS  87  19.119   1.297 -11.361
  650    HD2  HIS  87           HD2      HIS  87  18.927   4.599 -13.942
  651    HE1  HIS  87           HE1      HIS  87  18.579   3.315  -9.906
  652    H    LYS  88           H        LYS  88  18.399  -1.258 -14.416
  653    HA   LYS  88           HA       LYS  88  17.776  -1.994 -11.748
  654   1HB   LYS  88          HB2       LYS  88  16.267  -2.564 -13.475
  655   2HB   LYS  88          HB3       LYS  88  17.477  -3.450 -14.384
  656   1HG   LYS  88          HG2       LYS  88  17.477  -5.288 -12.884
  657   2HG   LYS  88          HG3       LYS  88  16.553  -4.404 -11.657
  658   1HD   LYS  88          HD2       LYS  88  14.570  -4.380 -13.061
  659   2HD   LYS  88          HD3       LYS  88  15.467  -4.964 -14.468
  660   1HE   LYS  88          HE2       LYS  88  15.751  -7.141 -13.547
  661   2HE   LYS  88          HE3       LYS  88  15.233  -6.625 -11.932
  662   1HZ   LYS  88          HZ1       LYS  88  13.047  -6.470 -12.609
  663   2HZ   LYS  88          HZ2       LYS  88  13.366  -6.524 -14.240
  664   3HZ   LYS  88          HZ3       LYS  88  13.547  -7.857 -13.307
  665    H    GLN  89           H        GLN  89  20.259  -3.299 -13.946
  666    HA   GLN  89           HA       GLN  89  21.174  -5.181 -11.973
  667   1HB   GLN  89          HB2       GLN  89  22.469  -4.123 -14.527
  668   2HB   GLN  89          HB3       GLN  89  23.190  -5.378 -13.518
  669   1HG   GLN  89          HG2       GLN  89  20.457  -5.587 -14.867
  670   2HG   GLN  89          HG3       GLN  89  21.951  -6.308 -15.456
  671   1HE2  GLN  89          HE22      GLN  89  22.972  -8.041 -14.132
  672   2HE2  GLN  89          HE21      GLN  89  21.999  -8.960 -13.017
  673    H    ILE  90           H        ILE  90  22.074  -1.777 -12.633
  674    HA   ILE  90           HA       ILE  90  24.340  -1.814 -10.888
  675    HB   ILE  90           HB       ILE  90  22.492   0.512 -11.543
  676   1HG1  ILE  90          HG12      ILE  90  25.312  -0.058 -12.584
  677   2HG1  ILE  90          HG13      ILE  90  23.867  -0.517 -13.455
  678   1HG2  ILE  90          HG21      ILE  90  24.307   1.981 -10.665
  679   2HG2  ILE  90          HG22      ILE  90  23.713   0.927  -9.399
  680   3HG2  ILE  90          HG23      ILE  90  25.245   0.549 -10.203
  681   1HD1  ILE  90          HD11      ILE  90  23.142   1.919 -13.438
  682   2HD1  ILE  90          HD12      ILE  90  24.757   2.312 -12.818
  683   3HD1  ILE  90          HD13      ILE  90  24.587   1.542 -14.401
  684    H    ILE  91           H        ILE  91  20.872  -1.208 -10.291
  685    HA   ILE  91           HA       ILE  91  21.044  -0.781  -7.501
  686    HB   ILE  91           HB       ILE  91  18.812  -2.004  -9.157
  687   1HG1  ILE  91          HG12      ILE  91  18.994   0.771  -7.919
  688   2HG1  ILE  91          HG13      ILE  91  19.603   0.457  -9.527
  689   1HG2  ILE  91          HG21      ILE  91  17.320  -1.478  -7.228
  690   2HG2  ILE  91          HG22      ILE  91  18.520  -2.686  -6.793
  691   3HG2  ILE  91          HG23      ILE  91  18.736  -0.991  -6.290
  692   1HD1  ILE  91          HD11      ILE  91  17.339   1.346  -9.643
  693   2HD1  ILE  91          HD12      ILE  91  17.389  -0.300 -10.288
  694   3HD1  ILE  91          HD13      ILE  91  16.711   0.017  -8.678
  695    H    ALA  92           H        ALA  92  20.683  -3.818  -9.342
  696    HA   ALA  92           HA       ALA  92  20.729  -5.580  -7.155
  697   1HB   ALA  92          HB1       ALA  92  22.023  -6.144  -9.866
  698   2HB   ALA  92          HB2       ALA  92  21.318  -7.313  -8.756
  699   3HB   ALA  92          HB3       ALA  92  20.274  -6.158  -9.618
  700    H    SER  93           H        SER  93  23.440  -4.172  -8.959
  701    HA   SER  93           HA       SER  93  25.479  -5.702  -7.688
  702   1HB   SER  93          HB2       SER  93  25.685  -2.997  -9.081
  703   2HB   SER  93          HB3       SER  93  27.021  -4.108  -8.738
  704    HG   SER  93           HG       SER  93  24.783  -4.548 -10.450
  705    H    GLN  94           H        GLN  94  23.989  -2.563  -6.840
  706    HA   GLN  94           HA       GLN  94  26.030  -2.119  -4.787
  707   1HB   GLN  94          HB2       GLN  94  24.866  -0.111  -4.191
  708   2HB   GLN  94          HB3       GLN  94  25.213  -0.183  -5.917
  709   1HG   GLN  94          HG2       GLN  94  22.889  -0.590  -6.431
  710   2HG   GLN  94          HG3       GLN  94  22.484  -0.813  -4.732
  711   1HE2  GLN  94          HE22      GLN  94  21.163   0.888  -4.224
  712   2HE2  GLN  94          HE21      GLN  94  21.571   2.576  -4.436
  713    H    PHE  95           H        PHE  95  22.695  -3.380  -4.861
  714    HA   PHE  95           HA       PHE  95  22.675  -3.420  -1.898
  715   1HB   PHE  95          HB2       PHE  95  20.558  -3.959  -3.986
  716   2HB   PHE  95          HB3       PHE  95  20.284  -4.044  -2.252
  717    HD1  PHE  95           HD1      PHE  95  18.847  -2.337  -4.322
  718    HD2  PHE  95           HD2      PHE  95  22.065  -1.419  -1.589
  719    HE1  PHE  95           HE1      PHE  95  18.049   0.004  -4.137
  720    HE2  PHE  95           HE2      PHE  95  21.315   0.878  -1.469
  721    HZ   PHE  95           HZ       PHE  95  19.238   1.603  -2.644
  722    H    GLY  96           H        GLY  96  23.577  -5.726  -4.272
  723   1HA   GLY  96          HA2       GLY  96  24.326  -7.885  -3.765
  724   2HA   GLY  96          HA3       GLY  96  23.557  -7.814  -2.174
  725    H    ARG  97           H        ARG  97  22.401  -7.353  -5.509
  726    HA   ARG  97           HA       ARG  97  20.661  -8.074  -6.675
  727   1HB   ARG  97          HB2       ARG  97  22.344 -10.008  -6.578
  728   2HB   ARG  97          HB3       ARG  97  21.170 -10.838  -5.551
  729   1HG   ARG  97          HG2       ARG  97  19.490 -10.717  -7.387
  730   2HG   ARG  97          HG3       ARG  97  20.595  -9.718  -8.341
  731   1HD   ARG  97          HD2       ARG  97  20.657 -11.935  -9.210
  732   2HD   ARG  97          HD3       ARG  97  22.210 -11.602  -8.424
  733    HE   ARG  97           HE       ARG  97  20.348 -12.867  -6.614
  734   1HH1  ARG  97          HH21      ARG  97  22.529 -13.616  -9.312
  735   2HH1  ARG  97          HH22      ARG  97  22.775 -15.257  -8.847
  736   1HH2  ARG  97          HH11      ARG  97  20.681 -15.053  -5.984
  737   2HH2  ARG  97          HH12      ARG  97  21.695 -16.089  -6.912
  738    H    TYR  98           H        TYR  98  19.766  -6.862  -4.330
  739    HA   TYR  98           HA       TYR  98  17.296  -8.216  -3.527
  740   1HB   TYR  98          HB2       TYR  98  18.179  -5.306  -3.371
  741   2HB   TYR  98          HB3       TYR  98  16.685  -5.934  -2.702
  742    HD1  TYR  98           HD1      TYR  98  17.994  -4.438  -0.898
  743    HD2  TYR  98           HD2      TYR  98  18.911  -8.539  -1.910
  744    HE1  TYR  98           HE1      TYR  98  19.010  -4.762   1.331
  745    HE2  TYR  98           HE2      TYR  98  19.929  -8.862   0.297
  746    HH   TYR  98           HH       TYR  98  20.457  -7.896   2.352
  747    H    ARG  99           H        ARG  99  17.881  -8.058  -6.494
  748    HA   ARG  99           HA       ARG  99  16.386  -5.841  -7.527
  749   1HB   ARG  99          HB2       ARG  99  16.924  -6.625  -9.728
  750   2HB   ARG  99          HB3       ARG  99  18.344  -6.695  -8.691
  751   1HG   ARG  99          HG2       ARG  99  18.071  -9.124  -8.439
  752   2HG   ARG  99          HG3       ARG  99  16.586  -9.072  -9.410
  753   1HD   ARG  99          HD2       ARG  99  17.964  -8.234 -11.339
  754   2HD   ARG  99          HD3       ARG  99  19.421  -8.525 -10.360
  755    HE   ARG  99           HE       ARG  99  18.013 -10.897 -10.214
  756   1HH1  ARG  99          HH11      ARG  99  19.343  -8.995 -12.913
  757   2HH1  ARG  99          HH12      ARG  99  19.434 -10.355 -13.982
  758   1HH2  ARG  99          HH21      ARG  99  18.211 -12.694 -11.617
  759   2HH2  ARG  99          HH22      ARG  99  18.830 -12.499 -13.209
  760    H    ASP 100           H        ASP 100  15.142  -8.621  -6.145
  761    HA   ASP 100           HA       ASP 100  12.967  -9.384  -7.756
  762   1HB   ASP 100          HB2       ASP 100  13.344 -10.495  -5.649
  763   2HB   ASP 100          HB3       ASP 100  13.187  -8.983  -4.749
  764    H    LYS 101           H        LYS 101  13.308  -6.513  -5.612
  765    HA   LYS 101           HA       LYS 101  10.595  -5.625  -6.040
  766   1HB   LYS 101          HB2       LYS 101  12.994  -3.927  -5.226
  767   2HB   LYS 101          HB3       LYS 101  11.283  -3.562  -4.985
  768   1HG   LYS 101          HG2       LYS 101  11.174  -5.675  -3.513
  769   2HG   LYS 101          HG3       LYS 101  12.947  -5.697  -3.604
  770   1HD   LYS 101          HD2       LYS 101  12.900  -3.284  -2.755
  771   2HD   LYS 101          HD3       LYS 101  11.170  -3.502  -2.455
  772   1HE   LYS 101          HE2       LYS 101  11.716  -5.494  -1.006
  773   2HE   LYS 101          HE3       LYS 101  13.436  -5.174  -1.286
  774   1HZ   LYS 101          HZ1       LYS 101  12.908  -4.171   0.739
  775   2HZ   LYS 101          HZ2       LYS 101  13.004  -2.925  -0.327
  776   3HZ   LYS 101          HZ3       LYS 101  11.533  -3.412   0.146
  777    H    VAL 102           H        VAL 102  13.419  -5.459  -8.084
  778    HA   VAL 102           HA       VAL 102  12.643  -2.860  -9.170
  779    HB   VAL 102           HB       VAL 102  15.002  -4.547 -10.020
  780   1HG1  VAL 102          HG11      VAL 102  14.391  -1.544 -10.114
  781   2HG1  VAL 102          HG12      VAL 102  15.911  -2.284 -10.628
  782   3HG1  VAL 102          HG13      VAL 102  14.417  -2.639 -11.503
  783   1HG2  VAL 102          HG21      VAL 102  16.455  -3.417  -8.547
  784   2HG2  VAL 102          HG22      VAL 102  15.166  -2.364  -7.912
  785   3HG2  VAL 102          HG23      VAL 102  15.177  -4.087  -7.520
  786    H    PHE 103           H        PHE 103  11.613  -2.622 -11.047
  787    HA   PHE 103           HA       PHE 103  11.784  -4.743 -13.094
  788   1HB   PHE 103          HB2       PHE 103   9.280  -3.238 -12.262
  789   2HB   PHE 103          HB3       PHE 103   9.451  -4.164 -13.753
  790    HD1  PHE 103           HD1      PHE 103   9.311  -6.581 -13.780
  791    HD2  PHE 103           HD2      PHE 103   9.336  -4.436 -10.035
  792    HE1  PHE 103           HE1      PHE 103   8.628  -8.647 -12.587
  793    HE2  PHE 103           HE2      PHE 103   8.657  -6.506  -8.848
  794    HZ   PHE 103           HZ       PHE 103   8.298  -8.613 -10.120
  795    H    THR 104           H        THR 104  11.953  -3.868 -15.159
  796    HA   THR 104           HA       THR 104  12.985  -1.161 -15.207
  797    HB   THR 104           HB       THR 104  12.388  -2.712 -17.725
  798    HG1  THR 104           HG1      THR 104  13.360  -4.243 -16.202
  799   1HG2  THR 104          HG21      THR 104  14.726  -1.050 -16.749
  800   2HG2  THR 104          HG22      THR 104  14.620  -1.815 -18.357
  801   3HG2  THR 104          HG23      THR 104  13.492  -0.521 -17.911
  802    H    LEU 105           H        LEU 105  12.072   0.575 -16.487
  803    HA   LEU 105           HA       LEU 105   9.461   1.035 -15.809
  804   1HB   LEU 105          HB2       LEU 105  11.111   2.782 -16.318
  805   2HB   LEU 105          HB3       LEU 105  10.939   2.431 -18.045
  806    HG   LEU 105           HG       LEU 105   8.543   3.061 -17.929
  807   1HD1  LEU 105          HD11      LEU 105   9.104   3.653 -14.994
  808   2HD1  LEU 105          HD12      LEU 105   7.724   4.332 -15.883
  809   3HD1  LEU 105          HD13      LEU 105   7.846   2.594 -15.682
  810   1HD2  LEU 105          HD21      LEU 105  10.400   5.169 -16.790
  811   2HD2  LEU 105          HD22      LEU 105  10.244   4.737 -18.495
  812   3HD2  LEU 105          HD23      LEU 105   8.872   5.477 -17.648
  813    H    LYS 106           H        LYS 106  10.495   0.007 -19.124
  814    HA   LYS 106           HA       LYS 106   7.683  -0.327 -19.878
  815   1HB   LYS 106          HB2       LYS 106  10.268  -1.307 -21.131
  816   2HB   LYS 106          HB3       LYS 106   8.690  -1.693 -21.789
  817   1HG   LYS 106          HG2       LYS 106   9.564   1.191 -21.340
  818   2HG   LYS 106          HG3       LYS 106   9.906   0.302 -22.829
  819   1HD   LYS 106          HD2       LYS 106   7.539  -0.030 -23.276
  820   2HD   LYS 106          HD3       LYS 106   7.094   0.669 -21.724
  821   1HE   LYS 106          HE2       LYS 106   6.680   2.270 -23.472
  822   2HE   LYS 106          HE3       LYS 106   7.949   2.870 -22.403
  823   1HZ   LYS 106          HZ1       LYS 106   8.337   3.143 -24.850
  824   2HZ   LYS 106          HZ2       LYS 106   9.571   2.447 -24.057
  825   3HZ   LYS 106          HZ3       LYS 106   8.546   1.535 -24.985
  826    H    GLU 107           H        GLU 107  10.254  -2.525 -18.676
  827    HA   GLU 107           HA       GLU 107   9.071  -4.941 -19.071
  828   1HB   GLU 107          HB2       GLU 107  11.340  -4.624 -18.185
  829   2HB   GLU 107          HB3       GLU 107  10.652  -4.074 -16.654
  830   1HG   GLU 107          HG2       GLU 107   9.652  -6.362 -16.347
  831   2HG   GLU 107          HG3       GLU 107  10.520  -6.874 -17.800
  832    H    TYR 108           H        TYR 108   8.389  -2.830 -16.222
  833    HA   TYR 108           HA       TYR 108   6.769  -4.712 -14.870
  834   1HB   TYR 108          HB2       TYR 108   7.724  -2.554 -13.954
  835   2HB   TYR 108          HB3       TYR 108   6.448  -1.695 -14.801
  836    HD1  TYR 108           HD1      TYR 108   4.371  -1.360 -13.687
  837    HD2  TYR 108           HD2      TYR 108   6.941  -4.560 -12.398
  838    HE1  TYR 108           HE1      TYR 108   2.844  -1.817 -11.796
  839    HE2  TYR 108           HE2      TYR 108   5.419  -5.056 -10.527
  840    HH   TYR 108           HH       TYR 108   3.457  -4.547  -9.488
  841    H    VAL 109           H        VAL 109   6.026  -2.764 -17.660
  842    HA   VAL 109           HA       VAL 109   3.097  -3.108 -17.289
  843    HB   VAL 109           HB       VAL 109   4.631  -1.123 -19.014
  844   1HG1  VAL 109          HG11      VAL 109   2.540   0.169 -18.935
  845   2HG1  VAL 109          HG12      VAL 109   2.241  -1.429 -19.634
  846   3HG1  VAL 109          HG13      VAL 109   1.775  -1.099 -17.949
  847   1HG2  VAL 109          HG21      VAL 109   3.623  -0.841 -16.151
  848   2HG2  VAL 109          HG22      VAL 109   5.300  -0.651 -16.726
  849   3HG2  VAL 109          HG23      VAL 109   4.083   0.527 -17.186
  850    H    THR 110           H        THR 110   5.665  -3.276 -19.886
  851    HA   THR 110           HA       THR 110   3.735  -4.460 -21.742
  852    HB   THR 110           HB       THR 110   5.633  -4.306 -23.313
  853    HG1  THR 110           HG1      THR 110   7.597  -3.505 -22.579
  854   1HG2  THR 110          HG21      THR 110   4.229  -2.253 -22.853
  855   2HG2  THR 110          HG22      THR 110   5.465  -1.720 -21.690
  856   3HG2  THR 110          HG23      THR 110   5.872  -1.902 -23.408
  857    H    GLY 111           H        GLY 111   6.173  -5.511 -19.482
  858   1HA   GLY 111          HA2       GLY 111   6.751  -7.691 -18.882
  859   2HA   GLY 111          HA3       GLY 111   5.986  -8.330 -20.341
  860    H    SER 112           H        SER 112   7.992  -5.616 -21.153
  861    HA   SER 112           HA       SER 112  10.334  -7.352 -21.718
  862   1HB   SER 112          HB2       SER 112   8.935  -5.474 -23.668
  863   2HB   SER 112          HB3       SER 112  10.382  -6.443 -23.997
  864    HG   SER 112           HG       SER 112   8.459  -7.424 -24.782
  865    H    HIS 113           H        HIS 113  12.322  -6.299 -21.605
  866    HA   HIS 113           HA       HIS 113  12.503  -3.949 -20.043
  867   1HB   HIS 113          HB2       HIS 113  14.590  -5.232 -21.852
  868   2HB   HIS 113          HB3       HIS 113  14.914  -4.007 -20.632
  869    HD1  HIS 113           HD1      HIS 113  14.375  -4.852 -17.967
  870    HD2  HIS 113           HD2      HIS 113  14.656  -7.729 -21.039
  871    HE1  HIS 113           HE1      HIS 113  14.696  -7.094 -16.825
  872    H    GLY 114           H        GLY 114  12.993  -1.793 -20.545
  873   1HA   GLY 114          HA2       GLY 114  13.839  -0.580 -22.823
  874   2HA   GLY 114          HA3       GLY 114  12.103  -0.805 -23.112
  875    H    ASP 115           H        ASP 115  12.605   1.708 -23.065
  876    HA   ASP 115           HA       ASP 115  11.899   2.770 -20.412
  877   1HB   ASP 115          HB2       ASP 115  14.410   2.967 -20.893
  878   2HB   ASP 115          HB3       ASP 115  13.990   4.000 -22.245
  879    H    VAL 116           H        VAL 116  11.245   5.126 -20.721
  880    HA   VAL 116           HA       VAL 116   9.500   5.529 -23.097
  881    HB   VAL 116           HB       VAL 116   9.782   6.949 -20.408
  882   1HG1  VAL 116          HG11      VAL 116   7.584   8.035 -20.938
  883   2HG1  VAL 116          HG12      VAL 116   8.907   8.628 -21.920
  884   3HG1  VAL 116          HG13      VAL 116   7.745   7.464 -22.609
  885   1HG2  VAL 116          HG21      VAL 116   7.611   5.954 -19.866
  886   2HG2  VAL 116          HG22      VAL 116   7.553   5.149 -21.449
  887   3HG2  VAL 116          HG23      VAL 116   8.765   4.678 -20.239
  888    H    LEU 117           H        LEU 117   9.660   8.030 -23.814
  889    HA   LEU 117           HA       LEU 117  12.190   8.710 -24.903
  890   1HB   LEU 117          HB2       LEU 117   9.783   9.510 -25.464
  891   2HB   LEU 117          HB3       LEU 117   9.941  10.607 -24.102
  892    HG   LEU 117           HG       LEU 117  11.561  10.590 -26.685
  893   1HD1  LEU 117          HD11      LEU 117  10.444  12.732 -27.097
  894   2HD1  LEU 117          HD12      LEU 117   9.246  11.457 -26.830
  895   3HD1  LEU 117          HD13      LEU 117   9.606  12.621 -25.534
  896   1HD2  LEU 117          HD21      LEU 117  11.921  12.404 -24.277
  897   2HD2  LEU 117          HD22      LEU 117  13.141  11.368 -25.076
  898   3HD2  LEU 117          HD23      LEU 117  12.519  12.770 -25.911
  899    H    ASP 118           H        ASP 118  13.973   9.582 -23.810
  900    HA   ASP 118           HA       ASP 118  13.669  10.578 -21.028
  901   1HB   ASP 118          HB2       ASP 118  15.470   9.059 -21.210
  902   2HB   ASP 118          HB3       ASP 118  16.097   9.859 -22.659
  903    HA   PRO 119           HA       PRO 119  13.624  14.467 -23.349
  904   1HB   PRO 119          HB2       PRO 119  12.328  16.070 -21.582
  905   2HB   PRO 119          HB3       PRO 119  11.480  14.772 -22.446
  906   1HG   PRO 119          HG2       PRO 119  12.680  14.655 -19.651
  907   2HG   PRO 119          HG3       PRO 119  11.015  14.213 -20.148
  908   1HD   PRO 119          HD2       PRO 119  13.006  12.354 -19.915
  909   2HD   PRO 119          HD3       PRO 119  11.777  12.245 -21.213
  910    H    PHE 120           H        PHE 120  15.520  13.697 -20.578
  911    HA   PHE 120           HA       PHE 120  16.033  16.192 -19.482
  912   1HB   PHE 120          HB2       PHE 120  16.691  14.020 -18.512
  913   2HB   PHE 120          HB3       PHE 120  17.985  13.880 -19.699
  914    HD1  PHE 120           HD1      PHE 120  16.721  15.856 -16.792
  915    HD2  PHE 120           HD2      PHE 120  20.068  15.107 -19.415
  916    HE1  PHE 120           HE1      PHE 120  18.198  17.192 -15.303
  917    HE2  PHE 120           HE2      PHE 120  21.535  16.438 -17.919
  918    HZ   PHE 120           HZ       PHE 120  20.602  17.480 -15.861
  919    H    GLY 121           H        GLY 121  16.853  17.993 -20.283
  920   1HA   GLY 121          HA2       GLY 121  18.567  19.331 -21.173
  921   2HA   GLY 121          HA3       GLY 121  19.149  17.979 -22.150
  922    H    GLY 122           H        GLY 122  15.839  17.875 -22.606
  923   1HA   GLY 122          HA2       GLY 122  16.026  19.087 -25.247
  924   2HA   GLY 122          HA3       GLY 122  14.673  18.202 -24.538
  925    H    SER 123           H        SER 123  13.847  20.234 -25.937
  926    HA   SER 123           HA       SER 123  13.494  22.680 -24.364
  927   1HB   SER 123          HB2       SER 123  11.916  23.157 -26.317
  928   2HB   SER 123          HB3       SER 123  13.627  22.977 -26.725
  929    HG   SER 123           HG       SER 123  12.325  21.807 -28.161
  930    H    ILE 124           H        ILE 124  11.122  23.278 -23.971
  931    HA   ILE 124           HA       ILE 124   9.854  21.468 -22.271
  932    HB   ILE 124           HB       ILE 124   9.486  23.841 -22.156
  933   1HG1  ILE 124          HG12      ILE 124   7.052  24.013 -21.939
  934   2HG1  ILE 124          HG13      ILE 124   6.826  22.532 -22.864
  935   1HG2  ILE 124          HG21      ILE 124   9.591  24.475 -24.544
  936   2HG2  ILE 124          HG22      ILE 124   8.006  23.712 -24.817
  937   3HG2  ILE 124          HG23      ILE 124   8.154  25.124 -23.760
  938   1HD1  ILE 124          HD11      ILE 124   8.294  22.712 -20.195
  939   2HD1  ILE 124          HD12      ILE 124   6.602  22.215 -20.410
  940   3HD1  ILE 124          HD13      ILE 124   7.902  21.222 -21.085
  941    H    ASP 125           H        ASP 125   9.525  21.824 -25.761
  942    HA   ASP 125           HA       ASP 125   7.180  20.311 -26.158
  943   1HB   ASP 125          HB2       ASP 125   8.183  21.633 -27.939
  944   2HB   ASP 125          HB3       ASP 125   9.621  20.607 -27.932
  945    H    ILE 126           H        ILE 126  10.535  19.262 -25.609
  946    HA   ILE 126           HA       ILE 126  10.010  16.506 -26.364
  947    HB   ILE 126           HB       ILE 126  12.292  17.518 -24.646
  948   1HG1  ILE 126          HG12      ILE 126  12.349  18.853 -26.677
  949   2HG1  ILE 126          HG13      ILE 126  13.654  17.685 -26.691
  950   1HG2  ILE 126          HG21      ILE 126  13.473  15.539 -25.551
  951   2HG2  ILE 126          HG22      ILE 126  11.994  15.066 -24.700
  952   3HG2  ILE 126          HG23      ILE 126  12.014  15.073 -26.457
  953   1HD1  ILE 126          HD11      ILE 126  12.611  17.930 -28.909
  954   2HD1  ILE 126          HD12      ILE 126  12.422  16.276 -28.313
  955   3HD1  ILE 126          HD13      ILE 126  11.049  17.405 -28.262
  956    H    TYR 127           H        TYR 127   9.953  18.358 -23.328
  957    HA   TYR 127           HA       TYR 127   9.420  16.034 -21.692
  958   1HB   TYR 127          HB2       TYR 127   8.988  18.988 -21.153
  959   2HB   TYR 127          HB3       TYR 127   8.652  17.713 -19.993
  960    HD1  TYR 127           HD1      TYR 127  11.373  19.330 -21.933
  961    HD2  TYR 127           HD2      TYR 127  10.414  16.674 -18.708
  962    HE1  TYR 127           HE1      TYR 127  13.722  19.432 -21.178
  963    HE2  TYR 127           HE2      TYR 127  12.769  16.770 -17.924
  964    HH   TYR 127           HH       TYR 127  15.158  18.988 -19.410
  965    H    LYS 128           H        LYS 128   7.450  18.360 -23.506
  966    HA   LYS 128           HA       LYS 128   4.941  17.341 -22.558
  967   1HB   LYS 128          HB2       LYS 128   4.672  19.439 -23.284
  968   2HB   LYS 128          HB3       LYS 128   5.872  19.334 -24.536
  969   1HG   LYS 128          HG2       LYS 128   3.133  18.051 -24.890
  970   2HG   LYS 128          HG3       LYS 128   3.449  19.762 -25.200
  971   1HD   LYS 128          HD2       LYS 128   5.365  19.054 -26.710
  972   2HD   LYS 128          HD3       LYS 128   4.738  17.404 -26.622
  973   1HE   LYS 128          HE2       LYS 128   2.584  18.169 -27.569
  974   2HE   LYS 128          HE3       LYS 128   3.198  19.834 -27.611
  975   1HZ   LYS 128          HZ1       LYS 128   3.496  18.821 -29.755
  976   2HZ   LYS 128          HZ2       LYS 128   4.989  19.031 -29.078
  977   3HZ   LYS 128          HZ3       LYS 128   4.300  17.537 -29.111
  978    H    GLN 129           H        GLN 129   7.000  16.348 -25.294
  979    HA   GLN 129           HA       GLN 129   5.093  14.408 -26.226
  980   1HB   GLN 129          HB2       GLN 129   8.137  14.533 -26.459
  981   2HB   GLN 129          HB3       GLN 129   7.161  13.287 -27.226
  982   1HG   GLN 129          HG2       GLN 129   6.975  16.272 -27.816
  983   2HG   GLN 129          HG3       GLN 129   7.807  15.073 -28.794
  984   1HE2  GLN 129          HE22      GLN 129   6.317  13.139 -29.532
  985   2HE2  GLN 129          HE21      GLN 129   4.711  13.595 -30.043
  986    H    THR 130           H        THR 130   7.737  14.325 -23.868
  987    HA   THR 130           HA       THR 130   7.585  11.564 -23.292
  988    HB   THR 130           HB       THR 130   8.463  13.874 -21.502
  989    HG1  THR 130           HG1      THR 130   9.649  13.814 -23.383
  990   1HG2  THR 130          HG21      THR 130   9.121  10.905 -21.345
  991   2HG2  THR 130          HG22      THR 130   9.819  12.187 -20.329
  992   3HG2  THR 130          HG23      THR 130   8.113  11.802 -20.188
  993    H    ARG 131           H        ARG 131   5.918  14.336 -21.740
  994    HA   ARG 131           HA       ARG 131   4.863  12.722 -19.661
  995   1HB   ARG 131          HB2       ARG 131   3.596  14.556 -18.929
  996   2HB   ARG 131          HB3       ARG 131   5.050  15.256 -19.643
  997   1HG   ARG 131          HG2       ARG 131   3.690  15.540 -21.784
  998   2HG   ARG 131          HG3       ARG 131   2.254  15.104 -20.861
  999   1HD   ARG 131          HD2       ARG 131   2.620  17.075 -19.393
 1000   2HD   ARG 131          HD3       ARG 131   4.086  17.459 -20.313
 1001    HE   ARG 131           HE       ARG 131   1.867  17.178 -22.097
 1002   1HH1  ARG 131          HH21      ARG 131   2.956  19.538 -19.619
 1003   2HH1  ARG 131          HH22      ARG 131   2.633  20.883 -20.706
 1004   1HH2  ARG 131          HH11      ARG 131   1.228  19.107 -23.285
 1005   2HH2  ARG 131          HH12      ARG 131   1.637  20.663 -22.590
 1006    H    ASP 132           H        ASP 132   3.691  13.310 -22.942
 1007    HA   ASP 132           HA       ASP 132   1.063  12.253 -22.473
 1008   1HB   ASP 132          HB2       ASP 132   1.539  13.654 -24.420
 1009   2HB   ASP 132          HB3       ASP 132   2.707  12.475 -25.023
 1010    H    GLU 133           H        GLU 133   4.137  10.812 -23.575
 1011    HA   GLU 133           HA       GLU 133   3.007   8.203 -24.024
 1012   1HB   GLU 133          HB2       GLU 133   5.122   9.141 -25.071
 1013   2HB   GLU 133          HB3       GLU 133   5.906   9.004 -23.501
 1014   1HG   GLU 133          HG2       GLU 133   6.559   7.111 -24.797
 1015   2HG   GLU 133          HG3       GLU 133   5.468   6.517 -23.554
 1016    H    LEU 134           H        LEU 134   4.714   9.794 -21.389
 1017    HA   LEU 134           HA       LEU 134   4.978   7.638 -19.607
 1018   1HB   LEU 134          HB2       LEU 134   6.187   9.832 -19.529
 1019   2HB   LEU 134          HB3       LEU 134   4.671  10.620 -19.083
 1020    HG   LEU 134           HG       LEU 134   4.642   9.379 -16.951
 1021   1HD1  LEU 134          HD11      LEU 134   6.719   8.175 -16.239
 1022   2HD1  LEU 134          HD12      LEU 134   5.889   7.348 -17.558
 1023   3HD1  LEU 134          HD13      LEU 134   7.344   8.316 -17.897
 1024   1HD2  LEU 134          HD21      LEU 134   6.554  10.600 -15.936
 1025   2HD2  LEU 134          HD22      LEU 134   7.228  10.888 -17.550
 1026   3HD2  LEU 134          HD23      LEU 134   5.676  11.610 -17.088
 1027    H    GLU 135           H        GLU 135   2.322  10.019 -20.039
 1028    HA   GLU 135           HA       GLU 135   0.808   9.096 -17.828
 1029   1HB   GLU 135          HB2       GLU 135   0.413  11.248 -19.103
 1030   2HB   GLU 135          HB3       GLU 135  -0.284  10.291 -20.415
 1031   1HG   GLU 135          HG2       GLU 135  -1.988   9.405 -18.790
 1032   2HG   GLU 135          HG3       GLU 135  -1.261  10.407 -17.530
 1033    H    GLU 136           H        GLU 136   0.874   8.085 -21.246
 1034    HA   GLU 136           HA       GLU 136  -1.332   6.308 -21.022
 1035   1HB   GLU 136          HB2       GLU 136  -0.344   7.267 -23.161
 1036   2HB   GLU 136          HB3       GLU 136   1.009   6.154 -22.971
 1037   1HG   GLU 136          HG2       GLU 136  -0.491   5.181 -24.544
 1038   2HG   GLU 136          HG3       GLU 136  -0.623   4.230 -23.075
 1039    H    LEU 137           H        LEU 137   2.163   5.855 -20.591
 1040    HA   LEU 137           HA       LEU 137   2.060   3.034 -20.118
 1041   1HB   LEU 137          HB2       LEU 137   4.184   4.363 -20.577
 1042   2HB   LEU 137          HB3       LEU 137   3.992   5.116 -18.999
 1043    HG   LEU 137           HG       LEU 137   3.923   2.547 -18.165
 1044   1HD1  LEU 137          HD11      LEU 137   5.617   2.416 -20.689
 1045   2HD1  LEU 137          HD12      LEU 137   5.484   1.152 -19.449
 1046   3HD1  LEU 137          HD13      LEU 137   4.073   1.577 -20.436
 1047   1HD2  LEU 137          HD21      LEU 137   5.501   4.242 -17.390
 1048   2HD2  LEU 137          HD22      LEU 137   6.262   2.671 -17.650
 1049   3HD2  LEU 137          HD23      LEU 137   6.497   3.978 -18.842
 1050    H    LEU 138           H        LEU 138   1.868   5.867 -17.963
 1051    HA   LEU 138           HA       LEU 138   1.852   4.214 -15.630
 1052   1HB   LEU 138          HB2       LEU 138   1.369   7.163 -16.032
 1053   2HB   LEU 138          HB3       LEU 138   1.283   6.396 -14.454
 1054    HG   LEU 138           HG       LEU 138   3.752   6.373 -16.250
 1055   1HD1  LEU 138          HD11      LEU 138   3.169   7.935 -13.704
 1056   2HD1  LEU 138          HD12      LEU 138   4.688   7.945 -14.625
 1057   3HD1  LEU 138          HD13      LEU 138   3.210   8.584 -15.361
 1058   1HD2  LEU 138          HD21      LEU 138   3.461   5.354 -13.402
 1059   2HD2  LEU 138          HD22      LEU 138   3.825   4.396 -14.857
 1060   3HD2  LEU 138          HD23      LEU 138   4.985   5.579 -14.275
 1061    H    ARG 139           H        ARG 139  -0.758   5.403 -17.678
 1062    HA   ARG 139           HA       ARG 139  -2.849   4.672 -15.839
 1063   1HB   ARG 139          HB2       ARG 139  -2.722   4.786 -18.884
 1064   2HB   ARG 139          HB3       ARG 139  -4.165   4.271 -18.034
 1065   1HG   ARG 139          HG2       ARG 139  -2.861   7.014 -17.810
 1066   2HG   ARG 139          HG3       ARG 139  -4.315   6.619 -18.714
 1067   1HD   ARG 139          HD2       ARG 139  -3.959   6.586 -15.695
 1068   2HD   ARG 139          HD3       ARG 139  -4.914   7.723 -16.655
 1069    HE   ARG 139           HE       ARG 139  -5.899   5.138 -17.199
 1070   1HH1  ARG 139          HH11      ARG 139  -5.903   7.481 -14.496
 1071   2HH1  ARG 139          HH12      ARG 139  -7.176   6.609 -13.651
 1072   1HH2  ARG 139          HH21      ARG 139  -7.679   4.146 -16.010
 1073   2HH2  ARG 139          HH22      ARG 139  -8.148   4.870 -14.485
 1074    H    GLN 140           H        GLN 140  -0.987   2.774 -18.264
 1075    HA   GLN 140           HA       GLN 140  -2.413   0.364 -17.587
 1076   1HB   GLN 140          HB2       GLN 140   0.314   0.678 -18.860
 1077   2HB   GLN 140          HB3       GLN 140  -0.601  -0.837 -18.708
 1078   1HG   GLN 140          HG2       GLN 140  -2.438   0.267 -20.070
 1079   2HG   GLN 140          HG3       GLN 140  -1.295   1.580 -20.402
 1080   1HE2  GLN 140          HE22      GLN 140   1.032   0.637 -21.153
 1081   2HE2  GLN 140          HE21      GLN 140   0.947  -0.643 -22.334
 1082    H    LEU 141           H        LEU 141   0.492   1.947 -16.289
 1083    HA   LEU 141           HA       LEU 141   1.277  -0.129 -14.557
 1084   1HB   LEU 141          HB2       LEU 141   2.385   2.166 -15.126
 1085   2HB   LEU 141          HB3       LEU 141   1.471   2.783 -13.751
 1086    HG   LEU 141           HG       LEU 141   2.843   0.298 -13.038
 1087   1HD1  LEU 141          HD11      LEU 141   4.742   2.494 -13.882
 1088   2HD1  LEU 141          HD12      LEU 141   5.079   0.829 -13.367
 1089   3HD1  LEU 141          HD13      LEU 141   4.342   1.107 -14.917
 1090   1HD2  LEU 141          HD21      LEU 141   3.205   3.127 -11.999
 1091   2HD2  LEU 141          HD22      LEU 141   2.050   1.928 -11.383
 1092   3HD2  LEU 141          HD23      LEU 141   3.790   1.634 -11.233
 1093    H    ALA 142           H        ALA 142  -1.139   2.465 -14.080
 1094    HA   ALA 142           HA       ALA 142  -1.867   1.708 -11.439
 1095   1HB   ALA 142          HB1       ALA 142  -2.488   3.879 -12.446
 1096   2HB   ALA 142          HB2       ALA 142  -3.607   3.050 -13.552
 1097   3HB   ALA 142          HB3       ALA 142  -3.897   3.014 -11.803
 1098    H    LYS 143           H        LYS 143  -3.073   0.609 -14.629
 1099    HA   LYS 143           HA       LYS 143  -5.045  -1.175 -13.618
 1100   1HB   LYS 143          HB2       LYS 143  -3.337  -1.535 -16.115
 1101   2HB   LYS 143          HB3       LYS 143  -4.728  -2.515 -15.686
 1102   1HG   LYS 143          HG2       LYS 143  -6.229  -0.595 -15.857
 1103   2HG   LYS 143          HG3       LYS 143  -4.872   0.494 -16.114
 1104   1HD   LYS 143          HD2       LYS 143  -5.877   0.074 -18.261
 1105   2HD   LYS 143          HD3       LYS 143  -4.290  -0.681 -18.221
 1106   1HE   LYS 143          HE2       LYS 143  -5.778  -2.189 -19.322
 1107   2HE   LYS 143          HE3       LYS 143  -5.363  -2.898 -17.764
 1108   1HZ   LYS 143          HZ1       LYS 143  -7.724  -3.081 -18.253
 1109   2HZ   LYS 143          HZ2       LYS 143  -7.533  -2.144 -16.936
 1110   3HZ   LYS 143          HZ3       LYS 143  -7.891  -1.470 -18.384
 1111    H    GLN 144           H        GLN 144  -1.551  -1.722 -14.181
 1112    HA   GLN 144           HA       GLN 144  -1.508  -4.403 -13.257
 1113   1HB   GLN 144          HB2       GLN 144   0.671  -2.280 -13.134
 1114   2HB   GLN 144          HB3       GLN 144   0.926  -3.956 -12.702
 1115   1HG   GLN 144          HG2       GLN 144  -0.091  -3.166 -15.461
 1116   2HG   GLN 144          HG3       GLN 144   1.617  -3.187 -15.047
 1117   1HE2  GLN 144          HE22      GLN 144   2.713  -5.119 -15.333
 1118   2HE2  GLN 144          HE21      GLN 144   1.928  -6.677 -15.493
 1119    H    LEU 145           H        LEU 145  -0.985  -1.347 -11.378
 1120    HA   LEU 145           HA       LEU 145  -0.552  -2.653  -8.907
 1121   1HB   LEU 145          HB2       LEU 145  -1.708   0.108  -9.390
 1122   2HB   LEU 145          HB3       LEU 145  -1.160  -0.511  -7.839
 1123    HG   LEU 145           HG       LEU 145   0.410   0.460 -10.178
 1124   1HD1  LEU 145          HD11      LEU 145   1.524   1.738  -8.514
 1125   2HD1  LEU 145          HD12      LEU 145  -0.198   1.793  -8.111
 1126   3HD1  LEU 145          HD13      LEU 145   0.872   0.726  -7.194
 1127   1HD2  LEU 145          HD21      LEU 145   1.439  -1.736  -9.879
 1128   2HD2  LEU 145          HD22      LEU 145   2.513  -0.495  -9.229
 1129   3HD2  LEU 145          HD23      LEU 145   1.536  -1.493  -8.126
 1130    H    LYS 146           H        LYS 146  -3.602  -1.809 -10.500
 1131    HA   LYS 146           HA       LYS 146  -5.211  -2.365  -8.099
 1132   1HB   LYS 146          HB2       LYS 146  -5.821  -1.883 -11.031
 1133   2HB   LYS 146          HB3       LYS 146  -7.075  -2.357  -9.858
 1134   1HG   LYS 146          HG2       LYS 146  -6.301  -0.292  -8.506
 1135   2HG   LYS 146          HG3       LYS 146  -5.448   0.183  -9.984
 1136   1HD   LYS 146          HD2       LYS 146  -8.439  -0.272  -9.711
 1137   2HD   LYS 146          HD3       LYS 146  -7.615   1.289  -9.839
 1138   1HE   LYS 146          HE2       LYS 146  -6.768   0.638 -12.102
 1139   2HE   LYS 146          HE3       LYS 146  -7.660  -0.888 -11.981
 1140   1HZ   LYS 146          HZ1       LYS 146  -9.712   0.442 -11.809
 1141   2HZ   LYS 146          HZ2       LYS 146  -8.847   1.829 -12.010
 1142   3HZ   LYS 146          HZ3       LYS 146  -8.930   0.726 -13.213
 1143    H    LYS 147           H        LYS 147  -4.229  -4.089 -11.097
 1144    HA   LYS 147           HA       LYS 147  -5.933  -6.312 -10.671
 1145   1HB   LYS 147          HB2       LYS 147  -5.067  -5.643 -12.850
 1146   2HB   LYS 147          HB3       LYS 147  -3.409  -6.017 -12.348
 1147   1HG   LYS 147          HG2       LYS 147  -3.884  -8.384 -12.270
 1148   2HG   LYS 147          HG3       LYS 147  -5.625  -8.107 -12.386
 1149   1HD   LYS 147          HD2       LYS 147  -4.653  -8.928 -14.523
 1150   2HD   LYS 147          HD3       LYS 147  -5.471  -7.377 -14.663
 1151   1HE   LYS 147          HE2       LYS 147  -3.472  -7.269 -15.985
 1152   2HE   LYS 147          HE3       LYS 147  -3.282  -6.196 -14.603
 1153   1HZ   LYS 147          HZ1       LYS 147  -2.032  -8.850 -14.975
 1154   2HZ   LYS 147          HZ2       LYS 147  -1.298  -7.382 -14.878
 1155   3HZ   LYS 147          HZ3       LYS 147  -1.974  -8.041 -13.550
 1156    H    ASP 148           H        ASP 148  -2.524  -5.750  -9.652
 1157    HA   ASP 148           HA       ASP 148  -2.912  -7.889  -7.672
 1158   1HB   ASP 148          HB2       ASP 148  -1.609  -8.850  -9.692
 1159   2HB   ASP 148          HB3       ASP 148  -0.300  -7.753  -9.226
 1160    H    ARG 149           H        ARG 149  -1.463  -7.521  -5.814
 1161    HA   ARG 149           HA       ARG 149  -1.634  -4.756  -5.274
 1162   1HB   ARG 149          HB2       ARG 149  -2.024  -6.302  -3.516
 1163   2HB   ARG 149          HB3       ARG 149  -0.437  -7.035  -3.691
 1164   1HG   ARG 149          HG2       ARG 149  -0.761  -5.642  -1.653
 1165   2HG   ARG 149          HG3       ARG 149   0.658  -5.263  -2.604
 1166   1HD   ARG 149          HD2       ARG 149  -0.589  -3.331  -1.555
 1167   2HD   ARG 149          HD3       ARG 149  -0.143  -3.151  -3.225
 1168    HE   ARG 149           HE       ARG 149  -2.876  -3.712  -2.164
 1169   1HH1  ARG 149          HH21      ARG 149  -0.875  -2.600  -4.893
 1170   2HH1  ARG 149          HH22      ARG 149  -2.232  -2.117  -5.841
 1171   1HH2  ARG 149          HH11      ARG 149  -4.638  -2.846  -3.357
 1172   2HH2  ARG 149          HH12      ARG 149  -4.377  -2.080  -4.877
 1173    H    ARG 150           H        ARG 150   1.117  -6.714  -6.252
 1174    HA   ARG 150           HA       ARG 150   2.628  -4.347  -6.902
 1175   1HB   ARG 150          HB2       ARG 150   4.647  -4.959  -5.707
 1176   2HB   ARG 150          HB3       ARG 150   3.332  -4.715  -4.573
 1177   1HG   ARG 150          HG2       ARG 150   4.125  -6.622  -3.636
 1178   2HG   ARG 150          HG3       ARG 150   3.097  -7.397  -4.822
 1179   1HD   ARG 150          HD2       ARG 150   5.166  -8.512  -4.949
 1180   2HD   ARG 150          HD3       ARG 150   5.149  -7.461  -6.373
 1181    HE   ARG 150           HE       ARG 150   6.343  -5.963  -4.326
 1182   1HH1  ARG 150          HH21      ARG 150   7.113  -9.175  -5.759
 1183   2HH1  ARG 150          HH22      ARG 150   8.815  -9.018  -5.365
 1184   1HH2  ARG 150          HH11      ARG 150   8.677  -5.804  -4.090
 1185   2HH2  ARG 150          HH12      ARG 150   9.638  -7.250  -4.436
  Start of MODEL    7
    1   1H    MET   1           H1       MET   1   1.693  -1.515   0.279
    2   2H    MET   1           H2       MET   1   2.972  -0.647   0.825
    3   3H    MET   1           H3       MET   1   1.612   0.126   0.357
    4    HA   MET   1           HA       MET   1   3.420  -1.392  -1.397
    5   1HB   MET   1          HB2       MET   1   1.014  -1.517  -2.088
    6   2HB   MET   1          HB3       MET   1   0.958   0.245  -2.175
    7   1HG   MET   1          HG2       MET   1   1.277  -0.700  -4.381
    8   2HG   MET   1          HG3       MET   1   2.717   0.206  -3.939
    9   1HE   MET   1          HE1       MET   1   3.631  -1.147  -6.203
   10   2HE   MET   1          HE2       MET   1   3.756  -2.922  -6.258
   11   3HE   MET   1          HE3       MET   1   2.161  -2.145  -6.259
   12    H    ASP   2           H        ASP   2   5.265  -0.206  -1.867
   13    HA   ASP   2           HA       ASP   2   5.067   2.724  -1.999
   14   1HB   ASP   2          HB2       ASP   2   5.806   2.369   0.262
   15   2HB   ASP   2          HB3       ASP   2   7.032   1.215  -0.276
   16    H    ILE   3           H        ILE   3   6.068   3.410  -3.800
   17    HA   ILE   3           HA       ILE   3   7.671   1.436  -5.323
   18    HB   ILE   3           HB       ILE   3   5.955   3.625  -6.489
   19   1HG1  ILE   3          HG12      ILE   3   5.118   0.742  -5.976
   20   2HG1  ILE   3          HG13      ILE   3   4.458   2.174  -5.196
   21   1HG2  ILE   3          HG21      ILE   3   7.676   2.789  -8.007
   22   2HG2  ILE   3          HG22      ILE   3   7.134   1.121  -7.755
   23   3HG2  ILE   3          HG23      ILE   3   6.089   2.294  -8.578
   24   1HD1  ILE   3          HD11      ILE   3   3.629   2.982  -7.430
   25   2HD1  ILE   3          HD12      ILE   3   4.079   1.388  -8.092
   26   3HD1  ILE   3          HD13      ILE   3   2.885   1.504  -6.793
   27    H    ILE   4           H        ILE   4   9.734   2.110  -6.019
   28    HA   ILE   4           HA       ILE   4  10.393   4.991  -5.727
   29    HB   ILE   4           HB       ILE   4  12.315   2.661  -5.768
   30   1HG1  ILE   4          HG12      ILE   4  11.815   4.495  -3.404
   31   2HG1  ILE   4          HG13      ILE   4  10.885   3.013  -3.615
   32   1HG2  ILE   4          HG21      ILE   4  13.287   4.707  -6.758
   33   2HG2  ILE   4          HG22      ILE   4  12.776   5.658  -5.350
   34   3HG2  ILE   4          HG23      ILE   4  14.023   4.406  -5.204
   35   1HD1  ILE   4          HD11      ILE   4  12.849   2.623  -2.177
   36   2HD1  ILE   4          HD12      ILE   4  12.929   1.648  -3.644
   37   3HD1  ILE   4          HD13      ILE   4  13.933   3.092  -3.490
   38    H    PHE   5           H        PHE   5  10.319   6.013  -7.654
   39    HA   PHE   5           HA       PHE   5  10.912   4.621 -10.179
   40   1HB   PHE   5          HB2       PHE   5  10.286   7.526  -9.513
   41   2HB   PHE   5          HB3       PHE   5  10.671   6.941 -11.126
   42    HD1  PHE   5           HD1      PHE   5   8.035   7.305  -8.653
   43    HD2  PHE   5           HD2      PHE   5   9.195   5.142 -12.203
   44    HE1  PHE   5           HE1      PHE   5   5.661   6.664  -9.054
   45    HE2  PHE   5           HE2      PHE   5   6.825   4.525 -12.600
   46    HZ   PHE   5           HZ       PHE   5   5.056   5.286 -11.027
   47    H    VAL   6           H        VAL   6  12.982   4.655 -11.108
   48    HA   VAL   6           HA       VAL   6  14.993   6.404  -9.903
   49    HB   VAL   6           HB       VAL   6  15.007   4.561  -8.417
   50   1HG1  VAL   6          HG11      VAL   6  15.491   2.639 -10.705
   51   2HG1  VAL   6          HG12      VAL   6  15.367   2.267  -8.978
   52   3HG1  VAL   6          HG13      VAL   6  13.936   2.822  -9.842
   53   1HG2  VAL   6          HG21      VAL   6  17.204   5.419  -8.894
   54   2HG2  VAL   6          HG22      VAL   6  17.307   3.680  -8.664
   55   3HG2  VAL   6          HG23      VAL   6  17.394   4.332 -10.297
   56    H    CYS   7           H        CYS   7  16.753   6.842 -11.046
   57    HA   CYS   7           HA       CYS   7  17.155   5.694 -13.718
   58   1HB   CYS   7          HB2       CYS   7  15.675   7.842 -13.779
   59   2HB   CYS   7          HB3       CYS   7  17.140   8.709 -13.297
   60    HG   CYS   7           HG       CYS   7  16.778   8.985 -15.858
   61    H    THR   8           H        THR   8  19.461   6.963 -14.502
   62    HA   THR   8           HA       THR   8  21.422   6.620 -12.426
   63    HB   THR   8           HB       THR   8  22.592   8.335 -14.222
   64    HG1  THR   8           HG1      THR   8  21.820   7.916 -16.231
   65   1HG2  THR   8          HG21      THR   8  23.417   6.229 -15.360
   66   2HG2  THR   8          HG22      THR   8  23.579   6.249 -13.598
   67   3HG2  THR   8          HG23      THR   8  22.278   5.313 -14.341
   68    H    GLY   9           H        GLY   9  19.887   9.513 -13.857
   69   1HA   GLY   9          HA2       GLY   9  20.729  11.138 -11.506
   70   2HA   GLY   9          HA3       GLY   9  20.648  11.669 -13.201
   71    H    ASN  10           H        ASN  10  18.622  10.145 -10.746
   72    HA   ASN  10           HA       ASN  10  16.157  10.109 -10.864
   73   1HB   ASN  10          HB2       ASN  10  17.267  10.604  -8.723
   74   2HB   ASN  10          HB3       ASN  10  17.379  12.305  -9.128
   75   1HD2  ASN  10          HD22      ASN  10  15.611  13.627  -8.398
   76   2HD2  ASN  10          HD21      ASN  10  14.144  12.917  -7.759
   77    H    THR  11           H        THR  11  17.256  13.499 -10.864
   78    HA   THR  11           HA       THR  11  14.940  14.853 -11.213
   79    HB   THR  11           HB       THR  11  17.346  15.967 -12.558
   80    HG1  THR  11           HG1      THR  11  18.711  15.826 -10.905
   81   1HG2  THR  11          HG21      THR  11  15.425  17.277 -11.652
   82   2HG2  THR  11          HG22      THR  11  15.870  16.762 -10.007
   83   3HG2  THR  11          HG23      THR  11  16.987  17.766 -10.958
   84    H    CYS  12           H        CYS  12  16.744  13.203 -13.808
   85    HA   CYS  12           HA       CYS  12  15.701  14.734 -15.957
   86   1HB   CYS  12          HB2       CYS  12  16.399  12.832 -17.379
   87   2HB   CYS  12          HB3       CYS  12  17.674  13.348 -16.257
   88    HG   CYS  12           HG       CYS  12  17.418  11.501 -14.542
   89    H    ARG  13           H        ARG  13  14.180  12.009 -14.212
   90    HA   ARG  13           HA       ARG  13  11.709  12.675 -15.560
   91   1HB   ARG  13          HB2       ARG  13  13.041  10.951 -17.132
   92   2HB   ARG  13          HB3       ARG  13  12.400   9.766 -15.991
   93   1HG   ARG  13          HG2       ARG  13  10.093  10.953 -16.409
   94   2HG   ARG  13          HG3       ARG  13  10.890  11.722 -17.777
   95   1HD   ARG  13          HD2       ARG  13  10.487   8.734 -17.317
   96   2HD   ARG  13          HD3       ARG  13   9.573   9.745 -18.422
   97    HE   ARG  13           HE       ARG  13  11.440   9.993 -19.866
   98   1HH1  ARG  13          HH11      ARG  13  11.849   7.389 -17.416
   99   2HH1  ARG  13          HH12      ARG  13  12.752   6.415 -18.535
  100   1HH2  ARG  13          HH21      ARG  13  12.860   8.714 -21.105
  101   2HH2  ARG  13          HH22      ARG  13  13.597   7.278 -20.437
  102    H    SER  14           H        SER  14  13.403  10.541 -13.196
  103    HA   SER  14           HA       SER  14  11.281   9.035 -12.375
  104   1HB   SER  14          HB2       SER  14  13.447  10.165 -10.599
  105   2HB   SER  14          HB3       SER  14  12.515   8.677 -10.339
  106    HG   SER  14           HG       SER  14  14.585   8.336 -11.300
  107    HA   PRO  15           HA       PRO  15   9.676  12.127  -9.179
  108   1HB   PRO  15          HB2       PRO  15  10.190  14.802  -9.276
  109   2HB   PRO  15          HB3       PRO  15  11.219  13.599  -8.438
  110   1HG   PRO  15          HG2       PRO  15  11.632  14.766 -11.200
  111   2HG   PRO  15          HG3       PRO  15  12.827  14.614  -9.871
  112   1HD   PRO  15          HD2       PRO  15  12.643  12.800 -11.881
  113   2HD   PRO  15          HD3       PRO  15  13.051  12.295 -10.213
  114    H    MET  16           H        MET  16   9.977  13.054 -12.577
  115    HA   MET  16           HA       MET  16   7.456  14.433 -12.741
  116   1HB   MET  16          HB2       MET  16   8.930  12.931 -14.956
  117   2HB   MET  16          HB3       MET  16   7.677  14.132 -15.135
  118   1HG   MET  16          HG2       MET  16   9.101  15.899 -14.384
  119   2HG   MET  16          HG3       MET  16  10.374  14.770 -13.915
  120   1HE   MET  16          HE1       MET  16   8.192  15.992 -16.936
  121   2HE   MET  16          HE2       MET  16   9.139  15.454 -18.351
  122   3HE   MET  16          HE3       MET  16   8.365  14.258 -17.325
  123    H    ALA  17           H        ALA  17   8.596  11.075 -13.195
  124    HA   ALA  17           HA       ALA  17   6.040  10.008 -13.910
  125   1HB   ALA  17          HB1       ALA  17   7.088   7.815 -13.514
  126   2HB   ALA  17          HB2       ALA  17   8.215   8.859 -14.406
  127   3HB   ALA  17          HB3       ALA  17   8.439   8.581 -12.665
  128    H    GLU  18           H        GLU  18   7.745  10.344 -10.827
  129    HA   GLU  18           HA       GLU  18   5.890   9.070  -9.154
  130   1HB   GLU  18          HB2       GLU  18   8.165   9.861  -8.577
  131   2HB   GLU  18          HB3       GLU  18   7.610  11.535  -8.670
  132   1HG   GLU  18          HG2       GLU  18   5.924  10.810  -6.803
  133   2HG   GLU  18          HG3       GLU  18   7.056   9.462  -6.575
  134    H    ALA  19           H        ALA  19   6.016  12.488 -10.189
  135    HA   ALA  19           HA       ALA  19   3.728  13.246  -8.675
  136   1HB   ALA  19          HB1       ALA  19   4.923  14.565 -11.159
  137   2HB   ALA  19          HB2       ALA  19   3.859  15.340  -9.964
  138   3HB   ALA  19          HB3       ALA  19   5.479  14.821  -9.488
  139    H    LEU  20           H        LEU  20   4.130  12.147 -12.020
  140    HA   LEU  20           HA       LEU  20   1.404  12.607 -12.742
  141   1HB   LEU  20          HB2       LEU  20   3.648  11.958 -14.152
  142   2HB   LEU  20          HB3       LEU  20   2.884  10.405 -14.112
  143    HG   LEU  20           HG       LEU  20   1.882  13.008 -15.316
  144   1HD1  LEU  20          HD11      LEU  20   3.466  11.545 -16.624
  145   2HD1  LEU  20          HD12      LEU  20   2.217  10.291 -16.625
  146   3HD1  LEU  20          HD13      LEU  20   1.929  11.861 -17.412
  147   1HD2  LEU  20          HD21      LEU  20  -0.171  11.820 -16.058
  148   2HD2  LEU  20          HD22      LEU  20   0.275  10.456 -15.007
  149   3HD2  LEU  20          HD23      LEU  20  -0.123  12.040 -14.312
  150    H    PHE  21           H        PHE  21   3.121   9.758 -11.375
  151    HA   PHE  21           HA       PHE  21   0.770   8.136 -11.541
  152   1HB   PHE  21          HB2       PHE  21   3.132   7.187 -11.304
  153   2HB   PHE  21          HB3       PHE  21   3.012   7.576  -9.590
  154    HD1  PHE  21           HD1      PHE  21   1.302   5.707 -12.380
  155    HD2  PHE  21           HD2      PHE  21   1.702   6.114  -8.108
  156    HE1  PHE  21           HE1      PHE  21  -0.188   3.791 -12.073
  157    HE2  PHE  21           HE2      PHE  21   0.228   4.145  -7.808
  158    HZ   PHE  21           HZ       PHE  21  -0.747   3.000  -9.785
  159    H    LYS  22           H        LYS  22   2.086  10.238  -8.972
  160    HA   LYS  22           HA       LYS  22   0.153   9.552  -7.011
  161   1HB   LYS  22          HB2       LYS  22   1.652  12.146  -7.588
  162   2HB   LYS  22          HB3       LYS  22   0.503  12.015  -6.248
  163   1HG   LYS  22          HG2       LYS  22   1.764  10.210  -5.218
  164   2HG   LYS  22          HG3       LYS  22   2.845  10.123  -6.600
  165   1HD   LYS  22          HD2       LYS  22   3.799  12.297  -6.133
  166   2HD   LYS  22          HD3       LYS  22   2.594  12.613  -4.863
  167   1HE   LYS  22          HE2       LYS  22   3.464  10.787  -3.497
  168   2HE   LYS  22          HE3       LYS  22   4.589  10.307  -4.771
  169   1HZ   LYS  22          HZ1       LYS  22   5.621  11.605  -3.003
  170   2HZ   LYS  22          HZ2       LYS  22   5.833  12.299  -4.457
  171   3HZ   LYS  22          HZ3       LYS  22   4.728  12.917  -3.392
  172    H    SER  23           H        SER  23  -0.015  11.962  -9.641
  173    HA   SER  23           HA       SER  23  -2.654  12.782  -9.015
  174   1HB   SER  23          HB2       SER  23  -1.296  12.737 -11.743
  175   2HB   SER  23          HB3       SER  23  -2.653  13.767 -11.242
  176    HG   SER  23           HG       SER  23   0.042  13.793 -10.316
  177    H    ILE  24           H        ILE  24  -1.495  10.176 -11.151
  178    HA   ILE  24           HA       ILE  24  -4.073   9.452 -12.114
  179    HB   ILE  24           HB       ILE  24  -1.382   8.117 -12.129
  180   1HG1  ILE  24          HG12      ILE  24  -3.353   9.035 -14.287
  181   2HG1  ILE  24          HG13      ILE  24  -1.983   9.976 -13.700
  182   1HG2  ILE  24          HG21      ILE  24  -2.269   6.211 -13.411
  183   2HG2  ILE  24          HG22      ILE  24  -2.947   6.233 -11.799
  184   3HG2  ILE  24          HG23      ILE  24  -3.931   6.799 -13.167
  185   1HD1  ILE  24          HD11      ILE  24  -1.821   7.353 -15.247
  186   2HD1  ILE  24          HD12      ILE  24  -1.413   8.969 -15.820
  187   3HD1  ILE  24          HD13      ILE  24  -0.435   8.227 -14.538
  188    H    ALA  25           H        ALA  25  -2.196   8.379  -9.303
  189    HA   ALA  25           HA       ALA  25  -3.987   6.290  -8.590
  190   1HB   ALA  25          HB1       ALA  25  -1.655   6.346  -7.771
  191   2HB   ALA  25          HB2       ALA  25  -1.989   7.847  -6.878
  192   3HB   ALA  25          HB3       ALA  25  -2.784   6.334  -6.400
  193    H    GLU  26           H        GLU  26  -3.752   9.722  -7.704
  194    HA   GLU  26           HA       GLU  26  -5.781   9.668  -5.739
  195   1HB   GLU  26          HB2       GLU  26  -4.086  11.507  -6.106
  196   2HB   GLU  26          HB3       GLU  26  -4.963  11.975  -7.562
  197   1HG   GLU  26          HG2       GLU  26  -5.600  13.473  -5.823
  198   2HG   GLU  26          HG3       GLU  26  -6.987  12.445  -6.138
  199    H    ARG  27           H        ARG  27  -5.956  10.236  -9.280
  200    HA   ARG  27           HA       ARG  27  -8.815  10.664  -9.121
  201   1HB   ARG  27          HB2       ARG  27  -8.904  10.668 -11.479
  202   2HB   ARG  27          HB3       ARG  27  -7.503  11.611 -10.935
  203   1HG   ARG  27          HG2       ARG  27  -6.012   9.851 -11.569
  204   2HG   ARG  27          HG3       ARG  27  -7.337   8.789 -12.067
  205   1HD   ARG  27          HD2       ARG  27  -6.623  11.482 -13.306
  206   2HD   ARG  27          HD3       ARG  27  -6.183   9.917 -13.980
  207    HE   ARG  27           HE       ARG  27  -8.760  11.255 -14.088
  208   1HH1  ARG  27          HH21      ARG  27  -7.188   8.079 -14.377
  209   2HH1  ARG  27          HH22      ARG  27  -8.467   7.378 -15.296
  210   1HH2  ARG  27          HH11      ARG  27 -10.457  10.317 -15.309
  211   2HH2  ARG  27          HH12      ARG  27 -10.359   8.683 -15.844
  212    H    GLU  28           H        GLU  28  -6.801   7.856  -9.687
  213    HA   GLU  28           HA       GLU  28  -8.931   6.060 -10.409
  214   1HB   GLU  28          HB2       GLU  28  -6.504   5.827 -11.004
  215   2HB   GLU  28          HB3       GLU  28  -6.146   5.463  -9.316
  216   1HG   GLU  28          HG2       GLU  28  -6.200   3.442 -10.671
  217   2HG   GLU  28          HG3       GLU  28  -7.470   3.403  -9.467
  218    H    GLY  29           H        GLY  29  -7.695   7.186  -7.308
  219   1HA   GLY  29          HA2       GLY  29  -8.580   6.873  -5.193
  220   2HA   GLY  29          HA3       GLY  29  -9.756   5.702  -5.823
  221    H    LEU  30           H        LEU  30  -6.275   5.557  -6.490
  222    HA   LEU  30           HA       LEU  30  -6.050   2.857  -5.350
  223   1HB   LEU  30          HB2       LEU  30  -4.514   4.615  -7.199
  224   2HB   LEU  30          HB3       LEU  30  -3.488   3.694  -6.118
  225    HG   LEU  30           HG       LEU  30  -5.716   2.380  -7.720
  226   1HD1  LEU  30          HD11      LEU  30  -4.103   1.728  -9.393
  227   2HD1  LEU  30          HD12      LEU  30  -4.152   3.494  -9.290
  228   3HD1  LEU  30          HD13      LEU  30  -2.799   2.613  -8.548
  229   1HD2  LEU  30          HD21      LEU  30  -4.855   1.027  -5.855
  230   2HD2  LEU  30          HD22      LEU  30  -4.278   0.349  -7.384
  231   3HD2  LEU  30          HD23      LEU  30  -3.178   1.312  -6.383
  232    H    ASN  31           H        ASN  31  -4.112   2.440  -3.909
  233    HA   ASN  31           HA       ASN  31  -3.644   4.608  -1.920
  234   1HB   ASN  31          HB2       ASN  31  -5.429   3.255  -0.964
  235   2HB   ASN  31          HB3       ASN  31  -4.572   1.765  -1.370
  236   1HD2  ASN  31          HD22      ASN  31  -4.226   0.958   0.746
  237   2HD2  ASN  31          HD21      ASN  31  -3.266   1.798   1.934
  238    H    VAL  32           H        VAL  32  -1.516   4.938  -2.192
  239    HA   VAL  32           HA       VAL  32   0.413   2.730  -2.089
  240    HB   VAL  32           HB       VAL  32   1.572   3.557  -4.116
  241   1HG1  VAL  32          HG11      VAL  32  -0.022   1.645  -4.323
  242   2HG1  VAL  32          HG12      VAL  32  -1.267   2.790  -4.883
  243   3HG1  VAL  32          HG13      VAL  32   0.225   2.571  -5.811
  244   1HG2  VAL  32          HG21      VAL  32  -0.906   5.245  -4.699
  245   2HG2  VAL  32          HG22      VAL  32   0.673   5.885  -4.198
  246   3HG2  VAL  32          HG23      VAL  32   0.520   5.041  -5.733
  247    H    ASN  33           H        ASN  33   2.677   3.748  -2.062
  248    HA   ASN  33           HA       ASN  33   2.708   6.661  -1.697
  249   1HB   ASN  33          HB2       ASN  33   3.453   5.594   0.488
  250   2HB   ASN  33          HB3       ASN  33   4.715   4.741  -0.413
  251   1HD2  ASN  33          HD22      ASN  33   6.630   5.883  -0.934
  252   2HD2  ASN  33          HD21      ASN  33   6.841   7.601  -0.596
  253    H    VAL  34           H        VAL  34   4.380   7.552  -3.036
  254    HA   VAL  34           HA       VAL  34   6.092   5.683  -4.420
  255    HB   VAL  34           HB       VAL  34   5.758   6.555  -6.637
  256   1HG1  VAL  34          HG11      VAL  34   3.688   5.605  -7.254
  257   2HG1  VAL  34          HG12      VAL  34   4.159   4.694  -5.818
  258   3HG1  VAL  34          HG13      VAL  34   2.931   5.968  -5.688
  259   1HG2  VAL  34          HG21      VAL  34   3.898   8.051  -7.240
  260   2HG2  VAL  34          HG22      VAL  34   3.458   8.209  -5.520
  261   3HG2  VAL  34          HG23      VAL  34   4.992   8.851  -6.120
  262    H    ARG  35           H        ARG  35   8.098   6.533  -4.845
  263    HA   ARG  35           HA       ARG  35   8.671   9.372  -4.410
  264   1HB   ARG  35          HB2       ARG  35  10.514   8.739  -2.782
  265   2HB   ARG  35          HB3       ARG  35   8.857   8.796  -2.207
  266   1HG   ARG  35          HG2       ARG  35   8.756   6.285  -2.318
  267   2HG   ARG  35          HG3       ARG  35  10.488   6.283  -2.732
  268   1HD   ARG  35          HD2       ARG  35  11.062   7.337  -0.642
  269   2HD   ARG  35          HD3       ARG  35   9.373   7.751  -0.304
  270    HE   ARG  35           HE       ARG  35   9.374   4.978  -0.445
  271   1HH1  ARG  35          HH21      ARG  35  10.899   7.467   1.616
  272   2HH1  ARG  35          HH22      ARG  35  10.856   6.488   3.032
  273   1HH2  ARG  35          HH11      ARG  35   9.330   3.750   1.320
  274   2HH2  ARG  35          HH12      ARG  35   9.851   4.306   2.906
  275    H    SER  36           H        SER  36  11.142   9.630  -4.761
  276    HA   SER  36           HA       SER  36  11.958   7.854  -6.979
  277   1HB   SER  36          HB2       SER  36  12.181  10.874  -7.107
  278   2HB   SER  36          HB3       SER  36  12.449   9.684  -8.391
  279    HG   SER  36           HG       SER  36  10.020  10.464  -7.177
  280    H    ALA  37           H        ALA  37  14.182   7.842  -7.499
  281    HA   ALA  37           HA       ALA  37  16.103   9.337  -5.900
  282   1HB   ALA  37          HB1       ALA  37  15.919   6.298  -5.654
  283   2HB   ALA  37          HB2       ALA  37  17.201   7.343  -4.981
  284   3HB   ALA  37          HB3       ALA  37  15.558   7.463  -4.360
  285    H    GLY  38           H        GLY  38  18.398   8.394  -6.604
  286   1HA   GLY  38          HA2       GLY  38  18.288   7.186  -9.286
  287   2HA   GLY  38          HA3       GLY  38  19.139   8.715  -9.165
  288    H    VAL  39           H        VAL  39  20.172   5.985  -9.853
  289    HA   VAL  39           HA       VAL  39  21.621   5.006  -7.563
  290    HB   VAL  39           HB       VAL  39  22.999   3.766  -9.275
  291   1HG1  VAL  39          HG11      VAL  39  21.196   2.230  -9.882
  292   2HG1  VAL  39          HG12      VAL  39  21.047   2.750  -8.191
  293   3HG1  VAL  39          HG13      VAL  39  19.975   3.439  -9.437
  294   1HG2  VAL  39          HG21      VAL  39  22.271   3.596 -11.556
  295   2HG2  VAL  39          HG22      VAL  39  20.939   4.727 -11.298
  296   3HG2  VAL  39          HG23      VAL  39  22.626   5.299 -11.228
  297    H    PHE  40           H        PHE  40  22.282   7.669  -9.759
  298    HA   PHE  40           HA       PHE  40  24.713   8.286  -8.194
  299   1HB   PHE  40          HB2       PHE  40  24.526   8.141 -11.231
  300   2HB   PHE  40          HB3       PHE  40  25.802   8.998 -10.381
  301    HD1  PHE  40           HD1      PHE  40  27.321   7.768  -8.764
  302    HD2  PHE  40           HD2      PHE  40  24.734   5.723 -11.546
  303    HE1  PHE  40           HE1      PHE  40  28.682   5.709  -8.523
  304    HE2  PHE  40           HE2      PHE  40  26.101   3.672 -11.304
  305    HZ   PHE  40           HZ       PHE  40  28.074   3.655  -9.791
  306    H    ALA  41           H        ALA  41  21.943   9.223  -8.061
  307    HA   ALA  41           HA       ALA  41  21.900  11.968  -9.091
  308   1HB   ALA  41          HB1       ALA  41  19.874  12.129  -7.624
  309   2HB   ALA  41          HB2       ALA  41  19.791  10.787  -8.767
  310   3HB   ALA  41          HB3       ALA  41  20.181  10.477  -7.057
  311    H    SER  42           H        SER  42  21.497  13.689  -7.312
  312    HA   SER  42           HA       SER  42  23.405  13.396  -5.078
  313   1HB   SER  42          HB2       SER  42  23.224  15.769  -6.964
  314   2HB   SER  42          HB3       SER  42  24.301  15.613  -5.564
  315    HG   SER  42           HG       SER  42  25.340  15.093  -7.548
  316    HA   PRO  43           HA       PRO  43  19.949  15.027  -2.763
  317   1HB   PRO  43          HB2       PRO  43  22.121  16.228  -1.050
  318   2HB   PRO  43          HB3       PRO  43  20.626  15.370  -0.547
  319   1HG   PRO  43          HG2       PRO  43  22.924  14.000  -0.588
  320   2HG   PRO  43          HG3       PRO  43  21.473  13.281  -1.387
  321   1HD   PRO  43          HD2       PRO  43  23.733  14.844  -2.693
  322   2HD   PRO  43          HD3       PRO  43  23.075  13.234  -3.114
  323    H    ASN  44           H        ASN  44  21.376  17.021  -4.839
  324    HA   ASN  44           HA       ASN  44  20.145  19.509  -3.812
  325   1HB   ASN  44          HB2       ASN  44  22.080  20.796  -4.061
  326   2HB   ASN  44          HB3       ASN  44  22.620  19.390  -3.158
  327   1HD2  ASN  44          HD22      ASN  44  24.029  21.360  -5.115
  328   2HD2  ASN  44          HD21      ASN  44  24.831  20.305  -6.249
  329    H    GLY  45           H        GLY  45  20.051  17.403  -6.290
  330   1HA   GLY  45          HA2       GLY  45  19.859  19.412  -8.480
  331   2HA   GLY  45          HA3       GLY  45  19.500  17.676  -8.588
  332    H    LYS  46           H        LYS  46  17.670  20.078  -9.185
  333    HA   LYS  46           HA       LYS  46  15.396  19.027  -7.684
  334   1HB   LYS  46          HB2       LYS  46  16.209  20.711  -6.121
  335   2HB   LYS  46          HB3       LYS  46  16.229  21.943  -7.402
  336   1HG   LYS  46          HG2       LYS  46  13.691  21.537  -7.627
  337   2HG   LYS  46          HG3       LYS  46  13.818  20.556  -6.163
  338   1HD   LYS  46          HD2       LYS  46  14.663  22.551  -4.924
  339   2HD   LYS  46          HD3       LYS  46  14.525  23.511  -6.417
  340   1HE   LYS  46          HE2       LYS  46  12.103  22.942  -6.545
  341   2HE   LYS  46          HE3       LYS  46  12.235  22.024  -5.041
  342   1HZ   LYS  46          HZ1       LYS  46  12.702  24.939  -5.286
  343   2HZ   LYS  46          HZ2       LYS  46  11.342  24.227  -4.720
  344   3HZ   LYS  46          HZ3       LYS  46  12.751  24.080  -3.891
  345    H    ALA  47           H        ALA  47  14.088  18.566  -9.255
  346    HA   ALA  47           HA       ALA  47  13.118  18.418 -11.275
  347   1HB   ALA  47          HB1       ALA  47  12.550  21.375 -10.872
  348   2HB   ALA  47          HB2       ALA  47  11.552  20.169 -11.722
  349   3HB   ALA  47          HB3       ALA  47  11.753  20.075  -9.966
  350    H    THR  48           H        THR  48  12.727  20.287 -13.444
  351    HA   THR  48           HA       THR  48  15.358  21.319 -14.147
  352    HB   THR  48           HB       THR  48  15.643  20.336 -16.187
  353    HG1  THR  48           HG1      THR  48  14.085  19.466 -17.438
  354   1HG2  THR  48          HG21      THR  48  14.184  18.045 -14.812
  355   2HG2  THR  48          HG22      THR  48  15.376  17.919 -16.118
  356   3HG2  THR  48          HG23      THR  48  15.885  18.502 -14.531
  357    HA   PRO  49           HA       PRO  49  12.967  24.816 -15.370
  358   1HB   PRO  49          HB2       PRO  49  14.306  24.685 -18.077
  359   2HB   PRO  49          HB3       PRO  49  14.072  26.101 -17.006
  360   1HG   PRO  49          HG2       PRO  49  16.475  24.857 -17.107
  361   2HG   PRO  49          HG3       PRO  49  15.793  25.354 -15.523
  362   1HD   PRO  49          HD2       PRO  49  15.777  22.613 -16.802
  363   2HD   PRO  49          HD3       PRO  49  16.127  23.076 -15.107
  364    H    HIS  50           H        HIS  50  12.895  21.987 -17.508
  365    HA   HIS  50           HA       HIS  50  10.344  22.947 -18.672
  366   1HB   HIS  50          HB2       HIS  50  12.447  21.075 -19.769
  367   2HB   HIS  50          HB3       HIS  50  10.869  21.322 -20.515
  368    HD1  HIS  50           HD1      HIS  50  13.688  22.051 -21.978
  369    HD2  HIS  50           HD2      HIS  50  11.008  24.667 -20.029
  370    HE1  HIS  50           HE1      HIS  50  14.120  24.367 -22.922
  371    H    ALA  51           H        ALA  51  11.847  20.254 -16.919
  372    HA   ALA  51           HA       ALA  51   9.624  18.488 -17.063
  373   1HB   ALA  51          HB1       ALA  51  11.690  18.997 -14.869
  374   2HB   ALA  51          HB2       ALA  51  10.570  17.631 -14.891
  375   3HB   ALA  51          HB3       ALA  51  11.794  17.797 -16.170
  376    H    VAL  52           H        VAL  52  10.463  21.087 -14.769
  377    HA   VAL  52           HA       VAL  52   8.182  20.752 -13.151
  378    HB   VAL  52           HB       VAL  52  10.499  21.955 -12.856
  379   1HG1  VAL  52          HG11      VAL  52   8.865  24.397 -13.516
  380   2HG1  VAL  52          HG12      VAL  52  10.505  24.339 -12.837
  381   3HG1  VAL  52          HG13      VAL  52  10.227  23.744 -14.481
  382   1HG2  VAL  52          HG21      VAL  52   9.618  23.241 -10.927
  383   2HG2  VAL  52          HG22      VAL  52   7.970  22.886 -11.506
  384   3HG2  VAL  52          HG23      VAL  52   9.079  21.567 -11.033
  385    H    GLU  53           H        GLU  53   8.804  22.706 -16.020
  386    HA   GLU  53           HA       GLU  53   6.340  24.106 -15.889
  387   1HB   GLU  53          HB2       GLU  53   8.327  24.958 -17.047
  388   2HB   GLU  53          HB3       GLU  53   8.222  23.658 -18.241
  389   1HG   GLU  53          HG2       GLU  53   6.140  24.538 -19.118
  390   2HG   GLU  53          HG3       GLU  53   5.990  25.672 -17.772
  391    H    ALA  54           H        ALA  54   7.332  21.063 -17.463
  392    HA   ALA  54           HA       ALA  54   4.940  20.647 -18.918
  393   1HB   ALA  54          HB1       ALA  54   7.033  19.358 -19.316
  394   2HB   ALA  54          HB2       ALA  54   6.818  18.551 -17.743
  395   3HB   ALA  54          HB3       ALA  54   5.638  18.302 -19.047
  396    H    LEU  55           H        LEU  55   5.873  19.713 -15.596
  397    HA   LEU  55           HA       LEU  55   3.223  18.515 -15.136
  398   1HB   LEU  55          HB2       LEU  55   5.568  19.198 -13.377
  399   2HB   LEU  55          HB3       LEU  55   4.020  18.752 -12.653
  400    HG   LEU  55           HG       LEU  55   5.523  16.859 -12.666
  401   1HD1  LEU  55          HD11      LEU  55   3.126  16.391 -12.869
  402   2HD1  LEU  55          HD12      LEU  55   3.271  16.341 -14.647
  403   3HD1  LEU  55          HD13      LEU  55   4.115  15.154 -13.617
  404   1HD2  LEU  55          HD21      LEU  55   5.498  17.022 -15.694
  405   2HD2  LEU  55          HD22      LEU  55   6.875  17.384 -14.646
  406   3HD2  LEU  55          HD23      LEU  55   6.243  15.745 -14.705
  407    H    PHE  56           H        PHE  56   4.521  21.796 -14.836
  408    HA   PHE  56           HA       PHE  56   2.226  22.703 -13.343
  409   1HB   PHE  56          HB2       PHE  56   4.369  23.983 -13.522
  410   2HB   PHE  56          HB3       PHE  56   3.995  24.322 -15.214
  411    HD1  PHE  56           HD1      PHE  56   2.471  24.554 -11.777
  412    HD2  PHE  56           HD2      PHE  56   2.755  26.307 -15.712
  413    HE1  PHE  56           HE1      PHE  56   0.969  26.381 -11.066
  414    HE2  PHE  56           HE2      PHE  56   1.285  28.168 -14.980
  415    HZ   PHE  56           HZ       PHE  56   0.382  28.212 -12.660
  416    H    GLU  57           H        GLU  57   2.929  22.401 -16.871
  417    HA   GLU  57           HA       GLU  57   0.448  23.453 -17.766
  418   1HB   GLU  57          HB2       GLU  57   2.455  23.047 -19.186
  419   2HB   GLU  57          HB3       GLU  57   2.179  21.304 -19.069
  420   1HG   GLU  57          HG2       GLU  57  -0.040  21.584 -20.153
  421   2HG   GLU  57          HG3       GLU  57   0.224  23.326 -20.247
  422    H    LYS  58           H        LYS  58   1.385  20.107 -16.791
  423    HA   LYS  58           HA       LYS  58  -1.288  19.079 -17.200
  424   1HB   LYS  58          HB2       LYS  58   0.918  17.792 -17.173
  425   2HB   LYS  58          HB3       LYS  58   0.840  17.857 -15.407
  426   1HG   LYS  58          HG2       LYS  58  -1.244  16.599 -15.397
  427   2HG   LYS  58          HG3       LYS  58  -1.436  16.764 -17.137
  428   1HD   LYS  58          HD2       LYS  58   0.818  15.217 -15.791
  429   2HD   LYS  58          HD3       LYS  58  -0.688  14.487 -16.337
  430   1HE   LYS  58          HE2       LYS  58   1.297  15.940 -18.142
  431   2HE   LYS  58          HE3       LYS  58   1.236  14.190 -17.911
  432   1HZ   LYS  58          HZ1       LYS  58  -1.013  15.775 -19.019
  433   2HZ   LYS  58          HZ2       LYS  58   0.032  14.895 -19.907
  434   3HZ   LYS  58          HZ3       LYS  58  -0.972  14.138 -18.867
  435    H    HIS  59           H        HIS  59  -0.114  21.204 -14.876
  436    HA   HIS  59           HA       HIS  59  -0.999  22.212 -13.109
  437   1HB   HIS  59          HB2       HIS  59  -3.621  20.804 -13.686
  438   2HB   HIS  59          HB3       HIS  59  -3.371  22.204 -12.655
  439    HD1  HIS  59           HD1      HIS  59  -4.661  21.605 -15.939
  440    HD2  HIS  59           HD2      HIS  59  -1.901  24.304 -14.258
  441    HE1  HIS  59           HE1      HIS  59  -4.549  23.592 -17.524
  442    H    ILE  60           H        ILE  60   0.648  20.345 -12.545
  443    HA   ILE  60           HA       ILE  60  -0.400  18.969 -10.103
  444    HB   ILE  60           HB       ILE  60   1.709  18.059 -12.090
  445   1HG1  ILE  60          HG12      ILE  60  -0.958  16.751 -11.372
  446   2HG1  ILE  60          HG13      ILE  60  -0.707  17.742 -12.799
  447   1HG2  ILE  60          HG21      ILE  60   1.825  15.972 -10.674
  448   2HG2  ILE  60          HG22      ILE  60   2.390  17.391  -9.816
  449   3HG2  ILE  60          HG23      ILE  60   0.764  16.746  -9.494
  450   1HD1  ILE  60          HD11      ILE  60  -0.607  15.404 -13.401
  451   2HD1  ILE  60          HD12      ILE  60   0.958  16.195 -13.676
  452   3HD1  ILE  60          HD13      ILE  60   0.730  15.110 -12.293
  453    H    ALA  61           H        ALA  61   2.150  20.928 -11.604
  454    HA   ALA  61           HA       ALA  61   3.835  22.163 -10.806
  455   1HB   ALA  61          HB1       ALA  61   2.181  22.344  -8.270
  456   2HB   ALA  61          HB2       ALA  61   3.485  23.436  -8.774
  457   3HB   ALA  61          HB3       ALA  61   1.985  23.348  -9.720
  458    H    LEU  62           H        LEU  62   5.133  20.269 -11.036
  459    HA   LEU  62           HA       LEU  62   6.075  18.526  -9.018
  460   1HB   LEU  62          HB2       LEU  62   6.485  18.593 -11.554
  461   2HB   LEU  62          HB3       LEU  62   7.666  19.840 -11.273
  462    HG   LEU  62           HG       LEU  62   7.745  16.899 -10.475
  463   1HD1  LEU  62          HD11      LEU  62   8.225  17.502 -12.837
  464   2HD1  LEU  62          HD12      LEU  62   9.529  18.577 -12.299
  465   3HD1  LEU  62          HD13      LEU  62   9.641  16.822 -12.028
  466   1HD2  LEU  62          HD21      LEU  62  10.185  17.391  -9.822
  467   2HD2  LEU  62          HD22      LEU  62   9.686  19.087  -9.665
  468   3HD2  LEU  62          HD23      LEU  62   8.938  17.804  -8.662
  469    H    ASN  63           H        ASN  63   7.485  18.886  -7.293
  470    HA   ASN  63           HA       ASN  63   9.543  20.873  -7.461
  471   1HB   ASN  63          HB2       ASN  63   7.165  21.735  -6.073
  472   2HB   ASN  63          HB3       ASN  63   8.388  21.408  -4.851
  473   1HD2  ASN  63          HD22      ASN  63   8.274  22.866  -8.162
  474   2HD2  ASN  63          HD21      ASN  63   9.265  24.259  -7.771
  475    H    HIS  64           H        HIS  64  11.114  19.375  -7.126
  476    HA   HIS  64           HA       HIS  64  10.979  17.536  -4.802
  477   1HB   HIS  64          HB2       HIS  64   9.830  16.398  -6.689
  478   2HB   HIS  64          HB3       HIS  64  11.209  16.733  -7.741
  479    HD1  HIS  64           HD1      HIS  64   9.967  14.105  -5.379
  480    HD2  HIS  64           HD2      HIS  64  13.565  15.390  -7.153
  481    HE1  HIS  64           HE1      HIS  64  11.590  12.171  -5.185
  482    H    VAL  65           H        VAL  65  12.966  17.683  -3.872
  483    HA   VAL  65           HA       VAL  65  15.367  18.367  -5.475
  484    HB   VAL  65           HB       VAL  65  15.044  17.892  -2.484
  485   1HG1  VAL  65          HG11      VAL  65  17.352  17.481  -3.296
  486   2HG1  VAL  65          HG12      VAL  65  17.368  19.076  -4.072
  487   3HG1  VAL  65          HG13      VAL  65  17.272  18.938  -2.303
  488   1HG2  VAL  65          HG21      VAL  65  15.283  20.323  -2.223
  489   2HG2  VAL  65          HG22      VAL  65  15.324  20.526  -3.981
  490   3HG2  VAL  65          HG23      VAL  65  13.842  19.959  -3.178
  491    H    SER  66           H        SER  66  16.571  16.727  -6.254
  492    HA   SER  66           HA       SER  66  15.912  13.968  -6.063
  493   1HB   SER  66          HB2       SER  66  18.361  15.509  -7.047
  494   2HB   SER  66          HB3       SER  66  18.088  13.776  -7.333
  495    HG   SER  66           HG       SER  66  17.323  15.223  -9.042
  496    H    SER  67           H        SER  67  17.491  12.250  -5.393
  497    HA   SER  67           HA       SER  67  19.512  12.771  -3.404
  498   1HB   SER  67          HB2       SER  67  16.830  11.523  -2.629
  499   2HB   SER  67          HB3       SER  67  18.306  11.291  -1.683
  500    HG   SER  67           HG       SER  67  17.588  13.897  -2.389
  501    HA   PRO  68           HA       PRO  68  20.670   8.919  -5.275
  502   1HB   PRO  68          HB2       PRO  68  22.316   7.722  -3.450
  503   2HB   PRO  68          HB3       PRO  68  22.757   9.223  -4.319
  504   1HG   PRO  68          HG2       PRO  68  21.531   8.970  -1.551
  505   2HG   PRO  68          HG3       PRO  68  22.975   9.923  -2.035
  506   1HD   PRO  68          HD2       PRO  68  20.525  11.068  -1.817
  507   2HD   PRO  68          HD3       PRO  68  21.644  11.542  -3.131
  508    H    LEU  69           H        LEU  69  20.328   6.607  -5.243
  509    HA   LEU  69           HA       LEU  69  18.244   5.637  -3.354
  510   1HB   LEU  69          HB2       LEU  69  17.908   5.191  -5.771
  511   2HB   LEU  69          HB3       LEU  69  19.470   4.396  -5.861
  512    HG   LEU  69           HG       LEU  69  18.741   2.565  -4.517
  513   1HD1  LEU  69          HD11      LEU  69  16.394   2.352  -3.654
  514   2HD1  LEU  69          HD12      LEU  69  17.324   3.572  -2.802
  515   3HD1  LEU  69          HD13      LEU  69  16.137   4.068  -4.034
  516   1HD2  LEU  69          HD21      LEU  69  16.495   3.237  -6.443
  517   2HD2  LEU  69          HD22      LEU  69  18.082   2.563  -6.885
  518   3HD2  LEU  69          HD23      LEU  69  16.969   1.619  -5.885
  519    H    THR  70           H        THR  70  18.917   4.690  -1.521
  520    HA   THR  70           HA       THR  70  21.412   3.144  -1.478
  521    HB   THR  70           HB       THR  70  21.571   4.228   0.945
  522    HG1  THR  70           HG1      THR  70  20.894   6.334   0.990
  523   1HG2  THR  70          HG21      THR  70  23.283   4.306  -0.832
  524   2HG2  THR  70          HG22      THR  70  22.448   5.680  -1.592
  525   3HG2  THR  70          HG23      THR  70  23.170   5.853   0.027
  526    H    GLU  71           H        GLU  71  21.485   1.868   0.682
  527    HA   GLU  71           HA       GLU  71  19.550   0.022  -0.062
  528   1HB   GLU  71          HB2       GLU  71  21.924  -0.350   0.796
  529   2HB   GLU  71          HB3       GLU  71  21.285  -0.163   2.435
  530   1HG   GLU  71          HG2       GLU  71  19.738  -2.071   2.025
  531   2HG   GLU  71          HG3       GLU  71  20.336  -2.202   0.368
  532    H    GLU  72           H        GLU  72  19.587   2.187   2.736
  533    HA   GLU  72           HA       GLU  72  17.523   0.879   4.187
  534   1HB   GLU  72          HB2       GLU  72  17.303   3.022   5.405
  535   2HB   GLU  72          HB3       GLU  72  18.965   2.442   5.292
  536   1HG   GLU  72          HG2       GLU  72  19.397   4.058   3.438
  537   2HG   GLU  72          HG3       GLU  72  17.747   4.664   3.596
  538    H    LEU  73           H        LEU  73  17.413   3.277   1.572
  539    HA   LEU  73           HA       LEU  73  14.569   3.683   1.754
  540   1HB   LEU  73          HB2       LEU  73  15.986   5.363   0.673
  541   2HB   LEU  73          HB3       LEU  73  16.549   4.157  -0.498
  542    HG   LEU  73           HG       LEU  73  14.383   3.985  -1.493
  543   1HD1  LEU  73          HD11      LEU  73  13.384   6.104   0.444
  544   2HD1  LEU  73          HD12      LEU  73  12.508   5.477  -0.976
  545   3HD1  LEU  73          HD13      LEU  73  12.850   4.407   0.378
  546   1HD2  LEU  73          HD21      LEU  73  15.934   5.744  -2.295
  547   2HD2  LEU  73          HD22      LEU  73  14.231   6.146  -2.570
  548   3HD2  LEU  73          HD23      LEU  73  15.130   6.914  -1.236
  549    H    MET  74           H        MET  74  16.743   1.578  -0.104
  550    HA   MET  74           HA       MET  74  14.781   0.307  -1.684
  551   1HB   MET  74          HB2       MET  74  16.838  -0.153  -2.495
  552   2HB   MET  74          HB3       MET  74  17.597  -0.184  -0.921
  553   1HG   MET  74          HG2       MET  74  17.807  -2.337  -1.937
  554   2HG   MET  74          HG3       MET  74  16.824  -2.439  -0.495
  555   1HE   MET  74          HE1       MET  74  15.337  -3.025  -4.848
  556   2HE   MET  74          HE2       MET  74  16.218  -1.572  -4.316
  557   3HE   MET  74          HE3       MET  74  17.028  -3.159  -4.331
  558    H    GLU  75           H        GLU  75  16.011  -0.496   1.565
  559    HA   GLU  75           HA       GLU  75  14.436  -2.858   1.942
  560   1HB   GLU  75          HB2       GLU  75  15.812  -0.929   3.846
  561   2HB   GLU  75          HB3       GLU  75  14.853  -2.294   4.426
  562   1HG   GLU  75          HG2       GLU  75  16.237  -3.866   3.141
  563   2HG   GLU  75          HG3       GLU  75  17.260  -2.553   2.575
  564    H    SER  76           H        SER  76  13.830   0.607   2.621
  565    HA   SER  76           HA       SER  76  11.400   0.194   4.067
  566   1HB   SER  76          HB2       SER  76  12.332   2.630   2.491
  567   2HB   SER  76          HB3       SER  76  11.055   2.590   3.718
  568    HG   SER  76           HG       SER  76  13.836   2.101   4.061
  569    H    ALA  77           H        ALA  77  12.049   0.625   0.551
  570    HA   ALA  77           HA       ALA  77   9.187   0.839  -0.014
  571   1HB   ALA  77          HB1       ALA  77  11.521   0.620  -1.938
  572   2HB   ALA  77          HB2       ALA  77   9.861   1.137  -2.323
  573   3HB   ALA  77          HB3       ALA  77  10.853   2.144  -1.271
  574    H    ASP  78           H        ASP  78   8.416  -0.506  -2.025
  575    HA   ASP  78           HA       ASP  78   8.905  -3.380  -1.442
  576   1HB   ASP  78          HB2       ASP  78   6.929  -2.432  -0.226
  577   2HB   ASP  78          HB3       ASP  78   6.208  -2.046  -1.796
  578    H    LEU  79           H        LEU  79   8.343  -0.920  -3.870
  579    HA   LEU  79           HA       LEU  79   8.858  -2.946  -5.938
  580   1HB   LEU  79          HB2       LEU  79   6.327  -2.277  -5.852
  581   2HB   LEU  79          HB3       LEU  79   6.866  -0.669  -6.281
  582    HG   LEU  79           HG       LEU  79   7.911  -1.652  -8.388
  583   1HD1  LEU  79          HD11      LEU  79   8.104  -4.018  -7.708
  584   2HD1  LEU  79          HD12      LEU  79   6.345  -4.124  -7.504
  585   3HD1  LEU  79          HD13      LEU  79   7.046  -3.880  -9.116
  586   1HD2  LEU  79          HD21      LEU  79   4.919  -2.135  -8.125
  587   2HD2  LEU  79          HD22      LEU  79   5.666  -0.549  -8.391
  588   3HD2  LEU  79          HD23      LEU  79   5.828  -1.817  -9.611
  589    H    VAL  80           H        VAL  80  10.156  -2.058  -7.630
  590    HA   VAL  80           HA       VAL  80  10.983   0.763  -7.368
  591    HB   VAL  80           HB       VAL  80  12.884  -1.602  -7.566
  592   1HG1  VAL  80          HG11      VAL  80  13.464   1.386  -7.364
  593   2HG1  VAL  80          HG12      VAL  80  14.679   0.092  -7.329
  594   3HG1  VAL  80          HG13      VAL  80  13.731   0.368  -8.792
  595   1HG2  VAL  80          HG21      VAL  80  12.136  -1.507  -5.286
  596   2HG2  VAL  80          HG22      VAL  80  13.755  -0.812  -5.349
  597   3HG2  VAL  80          HG23      VAL  80  12.333   0.251  -5.244
  598    H    LEU  81           H        LEU  81  11.363   1.696  -9.376
  599    HA   LEU  81           HA       LEU  81  10.761   0.057 -11.749
  600   1HB   LEU  81          HB2       LEU  81   9.035   1.973 -10.420
  601   2HB   LEU  81          HB3       LEU  81   9.395   2.520 -12.052
  602    HG   LEU  81           HG       LEU  81   8.574  -0.387 -11.565
  603   1HD1  LEU  81          HD11      LEU  81   6.666   1.894 -12.242
  604   2HD1  LEU  81          HD12      LEU  81   6.276   0.175 -11.955
  605   3HD1  LEU  81          HD13      LEU  81   6.807   1.186 -10.612
  606   1HD2  LEU  81          HD21      LEU  81   9.550   0.120 -13.709
  607   2HD2  LEU  81          HD22      LEU  81   7.821  -0.213 -13.884
  608   3HD2  LEU  81          HD23      LEU  81   8.391   1.462 -13.915
  609    H    ALA  82           H        ALA  82  12.630   0.152 -12.770
  610    HA   ALA  82           HA       ALA  82  14.323   2.534 -12.521
  611   1HB   ALA  82          HB1       ALA  82  15.198   0.325 -11.769
  612   2HB   ALA  82          HB2       ALA  82  14.958  -0.315 -13.413
  613   3HB   ALA  82          HB3       ALA  82  16.131   0.979 -13.118
  614    H    MET  83           H        MET  83  14.847   3.774 -14.255
  615    HA   MET  83           HA       MET  83  13.406   3.511 -16.665
  616   1HB   MET  83          HB2       MET  83  15.932   5.159 -16.254
  617   2HB   MET  83          HB3       MET  83  14.745   5.348 -17.542
  618   1HG   MET  83          HG2       MET  83  14.446   5.972 -14.617
  619   2HG   MET  83          HG3       MET  83  14.226   7.033 -15.995
  620   1HE   MET  83          HE1       MET  83  10.750   6.375 -13.870
  621   2HE   MET  83          HE2       MET  83  12.323   5.899 -13.187
  622   3HE   MET  83          HE3       MET  83  12.140   7.492 -13.968
  623    H    THR  84           H        THR  84  16.430   1.812 -15.922
  624    HA   THR  84           HA       THR  84  16.242   0.702 -18.617
  625    HB   THR  84           HB       THR  84  18.588   0.862 -19.121
  626    HG1  THR  84           HG1      THR  84  19.060   2.645 -17.029
  627   1HG2  THR  84          HG21      THR  84  17.265   2.766 -19.950
  628   2HG2  THR  84          HG22      THR  84  17.653   3.682 -18.475
  629   3HG2  THR  84          HG23      THR  84  18.944   3.207 -19.597
  630    H    HIS  85           H        HIS  85  17.346  -1.332 -18.824
  631    HA   HIS  85           HA       HIS  85  17.291  -2.999 -16.522
  632   1HB   HIS  85          HB2       HIS  85  18.343  -4.674 -17.977
  633   2HB   HIS  85          HB3       HIS  85  16.954  -3.908 -18.737
  634    HD1  HIS  85           HD1      HIS  85  20.804  -4.028 -19.071
  635    HD2  HIS  85           HD2      HIS  85  17.353  -2.616 -21.035
  636    HE1  HIS  85           HE1      HIS  85  21.560  -3.229 -21.362
  637    H    GLN  86           H        GLN  86  19.831  -1.083 -18.089
  638    HA   GLN  86           HA       GLN  86  22.006  -2.129 -16.620
  639   1HB   GLN  86          HB2       GLN  86  22.318  -0.741 -18.623
  640   2HB   GLN  86          HB3       GLN  86  21.596   0.647 -17.809
  641   1HG   GLN  86          HG2       GLN  86  24.012   0.877 -17.878
  642   2HG   GLN  86          HG3       GLN  86  23.480   0.731 -16.213
  643   1HE2  GLN  86          HE22      GLN  86  23.870  -1.377 -15.080
  644   2HE2  GLN  86          HE21      GLN  86  25.176  -2.400 -15.644
  645    H    HIS  87           H        HIS  87  19.734   0.543 -15.852
  646    HA   HIS  87           HA       HIS  87  20.962   1.167 -13.343
  647   1HB   HIS  87          HB2       HIS  87  18.040   1.440 -14.062
  648   2HB   HIS  87          HB3       HIS  87  18.862   2.241 -12.727
  649    HD1  HIS  87           HD1      HIS  87  21.370   3.020 -15.034
  650    HD2  HIS  87           HD2      HIS  87  17.249   3.810 -14.929
  651    HE1  HIS  87           HE1      HIS  87  20.981   5.012 -16.572
  652    H    LYS  88           H        LYS  88  18.386  -1.135 -14.255
  653    HA   LYS  88           HA       LYS  88  17.789  -2.018 -11.640
  654   1HB   LYS  88          HB2       LYS  88  16.353  -2.529 -13.486
  655   2HB   LYS  88          HB3       LYS  88  17.613  -3.435 -14.318
  656   1HG   LYS  88          HG2       LYS  88  17.502  -5.258 -12.811
  657   2HG   LYS  88          HG3       LYS  88  16.540  -4.348 -11.633
  658   1HD   LYS  88          HD2       LYS  88  14.612  -4.319 -13.099
  659   2HD   LYS  88          HD3       LYS  88  15.550  -4.917 -14.474
  660   1HE   LYS  88          HE2       LYS  88  15.788  -7.091 -13.533
  661   2HE   LYS  88          HE3       LYS  88  15.219  -6.565 -11.940
  662   1HZ   LYS  88          HZ1       LYS  88  13.423  -6.442 -14.300
  663   2HZ   LYS  88          HZ2       LYS  88  13.582  -7.796 -13.394
  664   3HZ   LYS  88          HZ3       LYS  88  13.056  -6.427 -12.681
  665    H    GLN  89           H        GLN  89  20.341  -3.132 -13.861
  666    HA   GLN  89           HA       GLN  89  21.312  -5.068 -11.962
  667   1HB   GLN  89          HB2       GLN  89  22.532  -3.917 -14.505
  668   2HB   GLN  89          HB3       GLN  89  23.314  -5.165 -13.529
  669   1HG   GLN  89          HG2       GLN  89  20.589  -5.430 -14.881
  670   2HG   GLN  89          HG3       GLN  89  22.098  -6.158 -15.423
  671   1HE2  GLN  89          HE22      GLN  89  23.151  -7.780 -13.891
  672   2HE2  GLN  89          HE21      GLN  89  22.110  -8.710 -12.842
  673    H    ILE  90           H        ILE  90  22.091  -1.629 -12.504
  674    HA   ILE  90           HA       ILE  90  24.369  -1.666 -10.765
  675    HB   ILE  90           HB       ILE  90  22.475   0.588 -11.511
  676   1HG1  ILE  90          HG12      ILE  90  25.417   0.262 -12.250
  677   2HG1  ILE  90          HG13      ILE  90  24.160  -0.471 -13.220
  678   1HG2  ILE  90          HG21      ILE  90  24.193   2.131 -10.511
  679   2HG2  ILE  90          HG22      ILE  90  23.411   1.130  -9.298
  680   3HG2  ILE  90          HG23      ILE  90  25.044   0.721  -9.858
  681   1HD1  ILE  90          HD11      ILE  90  24.432   2.515 -12.681
  682   2HD1  ILE  90          HD12      ILE  90  24.777   1.662 -14.192
  683   3HD1  ILE  90          HD13      ILE  90  23.111   1.756 -13.588
  684    H    ILE  91           H        ILE  91  20.883  -1.131 -10.176
  685    HA   ILE  91           HA       ILE  91  21.040  -0.800  -7.379
  686    HB   ILE  91           HB       ILE  91  18.854  -1.927  -9.175
  687   1HG1  ILE  91          HG12      ILE  91  19.047   0.787  -7.810
  688   2HG1  ILE  91          HG13      ILE  91  19.700   0.510  -9.407
  689   1HG2  ILE  91          HG21      ILE  91  18.425  -2.721  -6.862
  690   2HG2  ILE  91          HG22      ILE  91  18.589  -1.047  -6.279
  691   3HG2  ILE  91          HG23      ILE  91  17.253  -1.497  -7.343
  692   1HD1  ILE  91          HD11      ILE  91  16.783   0.278  -8.647
  693   2HD1  ILE  91          HD12      ILE  91  17.566   1.463  -9.714
  694   3HD1  ILE  91          HD13      ILE  91  17.460  -0.231 -10.214
  695    H    ALA  92           H        ALA  92  20.742  -3.790  -9.307
  696    HA   ALA  92           HA       ALA  92  20.782  -5.640  -7.188
  697   1HB   ALA  92          HB1       ALA  92  22.214  -6.079  -9.847
  698   2HB   ALA  92          HB2       ALA  92  21.425  -7.278  -8.828
  699   3HB   ALA  92          HB3       ALA  92  20.452  -6.090  -9.723
  700    H    SER  93           H        SER  93  23.486  -4.031  -8.836
  701    HA   SER  93           HA       SER  93  25.548  -5.471  -7.448
  702   1HB   SER  93          HB2       SER  93  25.708  -2.811  -8.928
  703   2HB   SER  93          HB3       SER  93  27.057  -3.878  -8.514
  704    HG   SER  93           HG       SER  93  24.893  -4.400 -10.298
  705    H    GLN  94           H        GLN  94  23.760  -2.478  -6.716
  706    HA   GLN  94           HA       GLN  94  25.588  -1.611  -4.634
  707   1HB   GLN  94          HB2       GLN  94  22.605  -1.008  -4.934
  708   2HB   GLN  94          HB3       GLN  94  23.732  -0.235  -3.821
  709   1HG   GLN  94          HG2       GLN  94  25.020   0.496  -5.967
  710   2HG   GLN  94          HG3       GLN  94  23.504   0.115  -6.802
  711   1HE2  GLN  94          HE22      GLN  94  21.642   0.936  -4.710
  712   2HE2  GLN  94          HE21      GLN  94  21.786   2.667  -4.520
  713    H    PHE  95           H        PHE  95  22.565  -3.515  -4.751
  714    HA   PHE  95           HA       PHE  95  22.664  -3.702  -1.798
  715   1HB   PHE  95          HB2       PHE  95  20.420  -4.042  -3.787
  716   2HB   PHE  95          HB3       PHE  95  20.240  -3.996  -2.030
  717    HD1  PHE  95           HD1      PHE  95  19.009  -2.241  -4.318
  718    HD2  PHE  95           HD2      PHE  95  22.223  -1.565  -1.516
  719    HE1  PHE  95           HE1      PHE  95  18.531   0.195  -4.321
  720    HE2  PHE  95           HE2      PHE  95  21.834   0.827  -1.637
  721    HZ   PHE  95           HZ       PHE  95  19.922   1.726  -2.942
  722    H    GLY  96           H        GLY  96  23.713  -5.745  -4.133
  723   1HA   GLY  96          HA2       GLY  96  24.457  -7.912  -3.790
  724   2HA   GLY  96          HA3       GLY  96  23.660  -7.936  -2.208
  725    H    ARG  97           H        ARG  97  22.620  -7.567  -5.612
  726    HA   ARG  97           HA       ARG  97  21.081  -8.542  -6.896
  727   1HB   ARG  97          HB2       ARG  97  22.614 -10.550  -6.107
  728   2HB   ARG  97          HB3       ARG  97  21.174 -11.076  -5.254
  729   1HG   ARG  97          HG2       ARG  97  21.251 -12.242  -7.313
  730   2HG   ARG  97          HG3       ARG  97  19.948 -11.064  -7.496
  731   1HD   ARG  97          HD2       ARG  97  21.402  -9.615  -8.842
  732   2HD   ARG  97          HD3       ARG  97  22.800 -10.652  -8.491
  733    HE   ARG  97           HE       ARG  97  20.654 -12.125  -9.729
  734   1HH1  ARG  97          HH11      ARG  97  23.387  -9.974 -10.458
  735   2HH1  ARG  97          HH12      ARG  97  23.676 -10.639 -12.020
  736   1HH2  ARG  97          HH21      ARG  97  20.994 -12.957 -11.849
  737   2HH2  ARG  97          HH22      ARG  97  22.233 -12.315 -12.856
  738    H    TYR  98           H        TYR  98  20.131  -7.100  -4.445
  739    HA   TYR  98           HA       TYR  98  17.625  -8.306  -3.702
  740   1HB   TYR  98          HB2       TYR  98  19.147  -6.429  -2.580
  741   2HB   TYR  98          HB3       TYR  98  18.133  -5.336  -3.501
  742    HD1  TYR  98           HD1      TYR  98  15.653  -7.590  -2.847
  743    HD2  TYR  98           HD2      TYR  98  18.416  -5.085  -0.661
  744    HE1  TYR  98           HE1      TYR  98  14.115  -7.566  -0.929
  745    HE2  TYR  98           HE2      TYR  98  16.859  -5.028   1.246
  746    HH   TYR  98           HH       TYR  98  14.813  -5.779   2.108
  747    H    ARG  99           H        ARG  99  18.114  -8.010  -6.669
  748    HA   ARG  99           HA       ARG  99  16.617  -5.735  -7.607
  749   1HB   ARG  99          HB2       ARG  99  17.057  -6.536  -9.837
  750   2HB   ARG  99          HB3       ARG  99  18.518  -6.603  -8.862
  751   1HG   ARG  99          HG2       ARG  99  18.302  -9.036  -8.613
  752   2HG   ARG  99          HG3       ARG  99  16.732  -9.002  -9.440
  753   1HD   ARG  99          HD2       ARG  99  17.925  -8.092 -11.478
  754   2HD   ARG  99          HD3       ARG  99  19.461  -8.423 -10.650
  755    HE   ARG  99           HE       ARG  99  17.960 -10.778 -10.483
  756   1HH1  ARG  99          HH21      ARG  99  19.339  -8.824 -13.118
  757   2HH1  ARG  99          HH22      ARG  99  19.318 -10.126 -14.262
  758   1HH2  ARG  99          HH11      ARG  99  17.942 -12.495 -12.005
  759   2HH2  ARG  99          HH12      ARG  99  18.548 -12.258 -13.598
  760    H    ASP 100           H        ASP 100  15.461  -8.585  -6.267
  761    HA   ASP 100           HA       ASP 100  13.394  -9.405  -7.973
  762   1HB   ASP 100          HB2       ASP 100  14.060 -10.630  -5.969
  763   2HB   ASP 100          HB3       ASP 100  13.495  -9.313  -4.937
  764    H    LYS 101           H        LYS 101  13.461  -6.605  -5.726
  765    HA   LYS 101           HA       LYS 101  10.639  -5.993  -6.076
  766   1HB   LYS 101          HB2       LYS 101  12.856  -4.066  -5.264
  767   2HB   LYS 101          HB3       LYS 101  11.120  -3.900  -4.989
  768   1HG   LYS 101          HG2       LYS 101  11.278  -5.999  -3.519
  769   2HG   LYS 101          HG3       LYS 101  13.044  -5.830  -3.653
  770   1HD   LYS 101          HD2       LYS 101  12.704  -3.389  -2.846
  771   2HD   LYS 101          HD3       LYS 101  11.046  -3.877  -2.442
  772   1HE   LYS 101          HE2       LYS 101  12.039  -5.774  -1.074
  773   2HE   LYS 101          HE3       LYS 101  13.644  -5.092  -1.410
  774   1HZ   LYS 101          HZ1       LYS 101  12.999  -3.096  -0.250
  775   2HZ   LYS 101          HZ2       LYS 101  11.479  -3.586  -0.029
  776   3HZ   LYS 101          HZ3       LYS 101  12.696  -4.384   0.743
  777    H    VAL 102           H        VAL 102  13.366  -5.599  -8.181
  778    HA   VAL 102           HA       VAL 102  12.459  -2.993  -9.154
  779    HB   VAL 102           HB       VAL 102  14.895  -4.545 -10.064
  780   1HG1  VAL 102          HG11      VAL 102  14.268  -2.626 -11.491
  781   2HG1  VAL 102          HG12      VAL 102  14.185  -1.570 -10.075
  782   3HG1  VAL 102          HG13      VAL 102  15.739  -2.241 -10.594
  783   1HG2  VAL 102          HG21      VAL 102  16.305  -3.402  -8.542
  784   2HG2  VAL 102          HG22      VAL 102  14.967  -2.453  -7.858
  785   3HG2  VAL 102          HG23      VAL 102  15.067  -4.193  -7.559
  786    H    PHE 103           H        PHE 103  11.530  -2.684 -11.061
  787    HA   PHE 103           HA       PHE 103  11.691  -4.747 -13.166
  788   1HB   PHE 103          HB2       PHE 103   9.224  -3.178 -12.326
  789   2HB   PHE 103          HB3       PHE 103   9.388  -4.066 -13.841
  790    HD1  PHE 103           HD1      PHE 103   9.091  -6.457 -13.949
  791    HD2  PHE 103           HD2      PHE 103   9.221  -4.448 -10.129
  792    HE1  PHE 103           HE1      PHE 103   8.285  -8.520 -12.830
  793    HE2  PHE 103           HE2      PHE 103   8.421  -6.516  -9.017
  794    HZ   PHE 103           HZ       PHE 103   7.948  -8.555 -10.365
  795    H    THR 104           H        THR 104  11.911  -3.769 -15.205
  796    HA   THR 104           HA       THR 104  12.902  -1.038 -15.116
  797    HB   THR 104           HB       THR 104  12.411  -2.517 -17.706
  798    HG1  THR 104           HG1      THR 104  13.376  -4.082 -16.189
  799   1HG2  THR 104          HG21      THR 104  14.642  -1.577 -18.250
  800   2HG2  THR 104          HG22      THR 104  13.501  -0.306 -17.774
  801   3HG2  THR 104          HG23      THR 104  14.714  -0.881 -16.607
  802    H    LEU 105           H        LEU 105  11.990   0.712 -16.402
  803    HA   LEU 105           HA       LEU 105   9.361   1.092 -15.721
  804   1HB   LEU 105          HB2       LEU 105  10.873   2.961 -16.099
  805   2HB   LEU 105          HB3       LEU 105  10.847   2.639 -17.844
  806    HG   LEU 105           HG       LEU 105   8.414   3.102 -17.891
  807   1HD1  LEU 105          HD11      LEU 105   8.725   3.667 -14.912
  808   2HD1  LEU 105          HD12      LEU 105   7.359   4.253 -15.882
  809   3HD1  LEU 105          HD13      LEU 105   7.606   2.524 -15.701
  810   1HD2  LEU 105          HD21      LEU 105   8.490   5.456 -17.701
  811   2HD2  LEU 105          HD22      LEU 105   9.763   5.410 -16.486
  812   3HD2  LEU 105          HD23      LEU 105  10.130   4.955 -18.168
  813    H    LYS 106           H        LYS 106  10.439   0.161 -19.050
  814    HA   LYS 106           HA       LYS 106   7.634  -0.249 -19.806
  815   1HB   LYS 106          HB2       LYS 106  10.229  -1.164 -21.097
  816   2HB   LYS 106          HB3       LYS 106   8.643  -1.531 -21.752
  817   1HG   LYS 106          HG2       LYS 106   9.552   1.334 -21.241
  818   2HG   LYS 106          HG3       LYS 106   9.831   0.492 -22.768
  819   1HD   LYS 106          HD2       LYS 106   7.474   0.265 -23.206
  820   2HD   LYS 106          HD3       LYS 106   7.050   0.786 -21.584
  821   1HE   LYS 106          HE2       LYS 106   6.575   2.588 -23.054
  822   2HE   LYS 106          HE3       LYS 106   7.938   3.055 -22.040
  823   1HZ   LYS 106          HZ1       LYS 106   8.225   2.069 -24.823
  824   2HZ   LYS 106          HZ2       LYS 106   8.135   3.652 -24.406
  825   3HZ   LYS 106          HZ3       LYS 106   9.404   2.762 -23.889
  826    H    GLU 107           H        GLU 107  10.275  -2.416 -18.713
  827    HA   GLU 107           HA       GLU 107   9.137  -4.825 -19.104
  828   1HB   GLU 107          HB2       GLU 107  11.411  -4.444 -18.220
  829   2HB   GLU 107          HB3       GLU 107  10.699  -3.997 -16.667
  830   1HG   GLU 107          HG2       GLU 107   9.781  -6.349 -16.497
  831   2HG   GLU 107          HG3       GLU 107  10.708  -6.741 -17.949
  832    H    TYR 108           H        TYR 108   8.380  -2.820 -16.179
  833    HA   TYR 108           HA       TYR 108   6.862  -4.796 -14.848
  834   1HB   TYR 108          HB2       TYR 108   7.555  -2.613 -13.861
  835   2HB   TYR 108          HB3       TYR 108   6.358  -1.805 -14.858
  836    HD1  TYR 108           HD1      TYR 108   4.189  -1.459 -13.973
  837    HD2  TYR 108           HD2      TYR 108   6.635  -4.600 -12.321
  838    HE1  TYR 108           HE1      TYR 108   2.443  -1.931 -12.285
  839    HE2  TYR 108           HE2      TYR 108   4.892  -5.087 -10.642
  840    HH   TYR 108           HH       TYR 108   2.671  -4.632  -9.937
  841    H    VAL 109           H        VAL 109   6.007  -2.759 -17.589
  842    HA   VAL 109           HA       VAL 109   3.130  -3.358 -17.334
  843    HB   VAL 109           HB       VAL 109   4.586  -1.297 -19.029
  844   1HG1  VAL 109          HG11      VAL 109   1.715  -1.426 -18.029
  845   2HG1  VAL 109          HG12      VAL 109   2.426  -0.095 -18.969
  846   3HG1  VAL 109          HG13      VAL 109   2.250  -1.693 -19.706
  847   1HG2  VAL 109          HG21      VAL 109   5.208  -0.766 -16.736
  848   2HG2  VAL 109          HG22      VAL 109   3.941   0.347 -17.221
  849   3HG2  VAL 109          HG23      VAL 109   3.535  -1.024 -16.182
  850    H    THR 110           H        THR 110   5.815  -3.418 -19.794
  851    HA   THR 110           HA       THR 110   4.058  -4.614 -21.797
  852    HB   THR 110           HB       THR 110   6.106  -4.451 -23.187
  853    HG1  THR 110           HG1      THR 110   7.987  -3.639 -22.248
  854   1HG2  THR 110          HG21      THR 110   5.742  -1.874 -21.579
  855   2HG2  THR 110          HG22      THR 110   6.344  -2.040 -23.241
  856   3HG2  THR 110          HG23      THR 110   4.651  -2.409 -22.877
  857    H    GLY 111           H        GLY 111   6.447  -5.646 -19.435
  858   1HA   GLY 111          HA2       GLY 111   6.982  -7.835 -18.797
  859   2HA   GLY 111          HA3       GLY 111   6.276  -8.477 -20.284
  860    H    SER 112           H        SER 112   8.267  -5.750 -21.043
  861    HA   SER 112           HA       SER 112  10.661  -7.437 -21.520
  862   1HB   SER 112          HB2       SER 112   9.248  -5.676 -23.567
  863   2HB   SER 112          HB3       SER 112  10.724  -6.619 -23.831
  864    HG   SER 112           HG       SER 112   8.843  -7.677 -24.618
  865    H    HIS 113           H        HIS 113  12.617  -6.310 -21.443
  866    HA   HIS 113           HA       HIS 113  12.717  -3.894 -19.983
  867   1HB   HIS 113          HB2       HIS 113  14.837  -5.150 -21.771
  868   2HB   HIS 113          HB3       HIS 113  15.118  -3.868 -20.597
  869    HD1  HIS 113           HD1      HIS 113  14.501  -4.660 -17.895
  870    HD2  HIS 113           HD2      HIS 113  15.164  -7.581 -20.868
  871    HE1  HIS 113           HE1      HIS 113  14.972  -6.832 -16.676
  872    H    GLY 114           H        GLY 114  13.029  -1.748 -20.556
  873   1HA   GLY 114          HA2       GLY 114  13.764  -0.594 -22.937
  874   2HA   GLY 114          HA3       GLY 114  12.014  -0.858 -23.084
  875    H    ASP 115           H        ASP 115  12.555   1.692 -23.117
  876    HA   ASP 115           HA       ASP 115  11.978   2.766 -20.438
  877   1HB   ASP 115          HB2       ASP 115  14.471   2.922 -20.980
  878   2HB   ASP 115          HB3       ASP 115  14.039   3.944 -22.340
  879    H    VAL 116           H        VAL 116  11.321   5.103 -20.683
  880    HA   VAL 116           HA       VAL 116   9.486   5.570 -22.973
  881    HB   VAL 116           HB       VAL 116  10.005   6.849 -20.254
  882   1HG1  VAL 116          HG11      VAL 116   8.082   8.319 -20.565
  883   2HG1  VAL 116          HG12      VAL 116   9.353   8.718 -21.708
  884   3HG1  VAL 116          HG13      VAL 116   7.928   7.809 -22.248
  885   1HG2  VAL 116          HG21      VAL 116   7.656   6.092 -19.828
  886   2HG2  VAL 116          HG22      VAL 116   7.607   5.374 -21.443
  887   3HG2  VAL 116          HG23      VAL 116   8.725   4.744 -20.211
  888    H    LEU 117           H        LEU 117   9.697   7.881 -23.968
  889    HA   LEU 117           HA       LEU 117  12.216   8.490 -25.021
  890   1HB   LEU 117          HB2       LEU 117   9.972   9.274 -25.784
  891   2HB   LEU 117          HB3       LEU 117   9.907  10.411 -24.443
  892    HG   LEU 117           HG       LEU 117  12.280  10.512 -26.337
  893   1HD1  LEU 117          HD11      LEU 117  10.364  10.351 -27.852
  894   2HD1  LEU 117          HD12      LEU 117   9.532  11.655 -26.977
  895   3HD1  LEU 117          HD13      LEU 117  11.034  11.988 -27.869
  896   1HD2  LEU 117          HD21      LEU 117  10.701  12.831 -25.183
  897   2HD2  LEU 117          HD22      LEU 117  12.037  12.075 -24.302
  898   3HD2  LEU 117          HD23      LEU 117  12.339  12.822 -25.872
  899    H    ASP 118           H        ASP 118  13.912   9.737 -24.317
  900    HA   ASP 118           HA       ASP 118  13.976  10.534 -21.455
  901   1HB   ASP 118          HB2       ASP 118  15.726   9.030 -21.933
  902   2HB   ASP 118          HB3       ASP 118  16.152   9.872 -23.428
  903    HA   PRO 119           HA       PRO 119  13.732  14.515 -23.555
  904   1HB   PRO 119          HB2       PRO 119  12.429  15.984 -21.711
  905   2HB   PRO 119          HB3       PRO 119  11.618  14.612 -22.505
  906   1HG   PRO 119          HG2       PRO 119  13.040  14.613 -19.810
  907   2HG   PRO 119          HG3       PRO 119  11.373  14.060 -20.166
  908   1HD   PRO 119          HD2       PRO 119  13.530  12.350 -20.113
  909   2HD   PRO 119          HD3       PRO 119  12.156  12.116 -21.234
  910    H    PHE 120           H        PHE 120  15.861  13.707 -21.025
  911    HA   PHE 120           HA       PHE 120  16.312  16.042 -19.686
  912   1HB   PHE 120          HB2       PHE 120  17.300  13.868 -19.131
  913   2HB   PHE 120          HB3       PHE 120  18.429  14.025 -20.469
  914    HD1  PHE 120           HD1      PHE 120  17.289  15.821 -17.340
  915    HD2  PHE 120           HD2      PHE 120  20.538  15.052 -20.080
  916    HE1  PHE 120           HE1      PHE 120  18.837  17.061 -15.857
  917    HE2  PHE 120           HE2      PHE 120  22.080  16.298 -18.589
  918    HZ   PHE 120           HZ       PHE 120  21.234  17.304 -16.475
  919    H    GLY 121           H        GLY 121  16.636  18.044 -20.385
  920   1HA   GLY 121          HA2       GLY 121  17.979  19.790 -21.094
  921   2HA   GLY 121          HA3       GLY 121  19.012  18.672 -21.994
  922    H    GLY 122           H        GLY 122  15.751  18.010 -22.765
  923   1HA   GLY 122          HA2       GLY 122  15.976  19.198 -25.421
  924   2HA   GLY 122          HA3       GLY 122  14.671  18.195 -24.776
  925    H    SER 123           H        SER 123  13.740  20.142 -26.218
  926    HA   SER 123           HA       SER 123  13.193  22.621 -24.803
  927   1HB   SER 123          HB2       SER 123  11.731  21.333 -27.151
  928   2HB   SER 123          HB3       SER 123  11.699  23.040 -26.673
  929    HG   SER 123           HG       SER 123  13.131  22.656 -28.421
  930    H    ILE 124           H        ILE 124  10.852  23.152 -24.219
  931    HA   ILE 124           HA       ILE 124   9.759  21.338 -22.396
  932    HB   ILE 124           HB       ILE 124   9.252  23.657 -22.238
  933   1HG1  ILE 124          HG12      ILE 124   6.814  23.751 -22.018
  934   2HG1  ILE 124          HG13      ILE 124   6.628  22.293 -22.983
  935   1HG2  ILE 124          HG21      ILE 124   9.333  24.356 -24.600
  936   2HG2  ILE 124          HG22      ILE 124   7.789  23.524 -24.907
  937   3HG2  ILE 124          HG23      ILE 124   7.862  24.918 -23.819
  938   1HD1  ILE 124          HD11      ILE 124   8.031  22.446 -20.278
  939   2HD1  ILE 124          HD12      ILE 124   6.368  21.883 -20.563
  940   3HD1  ILE 124          HD13      ILE 124   7.724  20.960 -21.209
  941    H    ASP 125           H        ASP 125   9.111  21.644 -25.855
  942    HA   ASP 125           HA       ASP 125   6.868  19.928 -25.957
  943   1HB   ASP 125          HB2       ASP 125   7.568  21.332 -27.849
  944   2HB   ASP 125          HB3       ASP 125   9.026  20.353 -28.052
  945    H    ILE 126           H        ILE 126  10.319  19.137 -25.755
  946    HA   ILE 126           HA       ILE 126   9.965  16.333 -26.448
  947    HB   ILE 126           HB       ILE 126  12.276  17.645 -24.978
  948   1HG1  ILE 126          HG12      ILE 126  12.007  18.822 -27.107
  949   2HG1  ILE 126          HG13      ILE 126  13.443  17.820 -27.123
  950   1HG2  ILE 126          HG21      ILE 126  12.213  15.191 -24.836
  951   2HG2  ILE 126          HG22      ILE 126  12.123  15.058 -26.584
  952   3HG2  ILE 126          HG23      ILE 126  13.583  15.732 -25.821
  953   1HD1  ILE 126          HD11      ILE 126  10.798  17.093 -28.468
  954   2HD1  ILE 126          HD12      ILE 126  12.246  17.721 -29.272
  955   3HD1  ILE 126          HD13      ILE 126  12.287  16.121 -28.519
  956    H    TYR 127           H        TYR 127  10.120  18.267 -23.460
  957    HA   TYR 127           HA       TYR 127   9.847  15.984 -21.713
  958   1HB   TYR 127          HB2       TYR 127   9.350  18.952 -21.288
  959   2HB   TYR 127          HB3       TYR 127   8.996  17.754 -20.059
  960    HD1  TYR 127           HD1      TYR 127  11.783  19.266 -22.031
  961    HD2  TYR 127           HD2      TYR 127  10.726  16.785 -18.686
  962    HE1  TYR 127           HE1      TYR 127  14.130  19.310 -21.258
  963    HE2  TYR 127           HE2      TYR 127  13.055  16.815 -17.906
  964    HH   TYR 127           HH       TYR 127  15.195  17.653 -18.262
  965    H    LYS 128           H        LYS 128   7.556  18.151 -23.342
  966    HA   LYS 128           HA       LYS 128   5.263  17.032 -22.093
  967   1HB   LYS 128          HB2       LYS 128   5.558  19.248 -23.361
  968   2HB   LYS 128          HB3       LYS 128   5.271  18.342 -24.843
  969   1HG   LYS 128          HG2       LYS 128   3.347  18.259 -22.473
  970   2HG   LYS 128          HG3       LYS 128   3.344  19.598 -23.622
  971   1HD   LYS 128          HD2       LYS 128   2.850  18.109 -25.484
  972   2HD   LYS 128          HD3       LYS 128   2.955  16.694 -24.437
  973   1HE   LYS 128          HE2       LYS 128   0.623  17.243 -24.814
  974   2HE   LYS 128          HE3       LYS 128   1.033  17.460 -23.112
  975   1HZ   LYS 128          HZ1       LYS 128   1.083  19.841 -23.442
  976   2HZ   LYS 128          HZ2       LYS 128   0.853  19.679 -25.068
  977   3HZ   LYS 128          HZ3       LYS 128  -0.325  19.265 -24.024
  978    H    GLN 129           H        GLN 129   6.953  16.128 -25.106
  979    HA   GLN 129           HA       GLN 129   5.135  14.096 -25.901
  980   1HB   GLN 129          HB2       GLN 129   8.137  14.431 -26.337
  981   2HB   GLN 129          HB3       GLN 129   7.249  13.039 -26.949
  982   1HG   GLN 129          HG2       GLN 129   5.773  14.524 -28.268
  983   2HG   GLN 129          HG3       GLN 129   6.663  15.928 -27.695
  984   1HE2  GLN 129          HE22      GLN 129   8.080  16.678 -29.315
  985   2HE2  GLN 129          HE21      GLN 129   8.993  15.613 -30.364
  986    H    THR 130           H        THR 130   7.922  14.043 -23.680
  987    HA   THR 130           HA       THR 130   7.833  11.282 -23.038
  988    HB   THR 130           HB       THR 130   8.763  13.719 -21.466
  989    HG1  THR 130           HG1      THR 130   9.959  13.320 -23.245
  990   1HG2  THR 130          HG21      THR 130   8.246  12.081 -19.810
  991   2HG2  THR 130          HG22      THR 130   9.076  10.806 -20.741
  992   3HG2  THR 130          HG23      THR 130  10.003  12.149 -20.027
  993    H    ARG 131           H        ARG 131   6.082  14.064 -21.603
  994    HA   ARG 131           HA       ARG 131   4.841  12.492 -19.565
  995   1HB   ARG 131          HB2       ARG 131   3.569  14.879 -20.964
  996   2HB   ARG 131          HB3       ARG 131   3.142  14.216 -19.379
  997   1HG   ARG 131          HG2       ARG 131   5.752  15.637 -19.929
  998   2HG   ARG 131          HG3       ARG 131   4.279  16.438 -19.424
  999   1HD   ARG 131          HD2       ARG 131   5.762  16.012 -17.552
 1000   2HD   ARG 131          HD3       ARG 131   4.205  15.173 -17.373
 1001    HE   ARG 131           HE       ARG 131   6.466  13.689 -18.574
 1002   1HH1  ARG 131          HH21      ARG 131   4.488  14.243 -15.713
 1003   2HH1  ARG 131          HH22      ARG 131   5.158  12.953 -14.777
 1004   1HH2  ARG 131          HH11      ARG 131   7.230  11.814 -17.478
 1005   2HH2  ARG 131          HH12      ARG 131   6.677  11.437 -15.894
 1006    H    ASP 132           H        ASP 132   3.844  13.156 -22.915
 1007    HA   ASP 132           HA       ASP 132   1.283  11.969 -22.593
 1008   1HB   ASP 132          HB2       ASP 132   1.809  13.423 -24.498
 1009   2HB   ASP 132          HB3       ASP 132   2.999  12.263 -25.092
 1010    H    GLU 133           H        GLU 133   4.408  10.533 -23.518
 1011    HA   GLU 133           HA       GLU 133   3.265   7.932 -24.027
 1012   1HB   GLU 133          HB2       GLU 133   5.425   8.607 -25.010
 1013   2HB   GLU 133          HB3       GLU 133   6.122   8.799 -23.393
 1014   1HG   GLU 133          HG2       GLU 133   5.804   6.362 -22.975
 1015   2HG   GLU 133          HG3       GLU 133   5.080   6.184 -24.575
 1016    H    LEU 134           H        LEU 134   4.875   9.459 -21.249
 1017    HA   LEU 134           HA       LEU 134   4.886   7.116 -19.666
 1018   1HB   LEU 134          HB2       LEU 134   6.293   9.197 -19.374
 1019   2HB   LEU 134          HB3       LEU 134   4.914   9.935 -18.563
 1020    HG   LEU 134           HG       LEU 134   5.474   7.176 -17.578
 1021   1HD1  LEU 134          HD11      LEU 134   7.563   7.610 -16.449
 1022   2HD1  LEU 134          HD12      LEU 134   7.753   7.773 -18.200
 1023   3HD1  LEU 134          HD13      LEU 134   7.668   9.232 -17.179
 1024   1HD2  LEU 134          HD21      LEU 134   5.399   9.861 -16.150
 1025   2HD2  LEU 134          HD22      LEU 134   4.029   8.788 -16.423
 1026   3HD2  LEU 134          HD23      LEU 134   5.379   8.246 -15.404
 1027    H    GLU 135           H        GLU 135   2.444   9.714 -20.057
 1028    HA   GLU 135           HA       GLU 135   0.806   8.888 -17.888
 1029   1HB   GLU 135          HB2       GLU 135   0.634  11.086 -19.141
 1030   2HB   GLU 135          HB3       GLU 135  -0.072  10.197 -20.496
 1031   1HG   GLU 135          HG2       GLU 135  -1.881   9.403 -18.863
 1032   2HG   GLU 135          HG3       GLU 135  -1.194  10.510 -17.677
 1033    H    GLU 136           H        GLU 136   0.945   7.891 -21.318
 1034    HA   GLU 136           HA       GLU 136  -1.386   6.245 -21.159
 1035   1HB   GLU 136          HB2       GLU 136  -0.419   7.088 -23.287
 1036   2HB   GLU 136          HB3       GLU 136   0.999   6.054 -23.055
 1037   1HG   GLU 136          HG2       GLU 136  -0.428   4.041 -23.167
 1038   2HG   GLU 136          HG3       GLU 136  -1.871   5.049 -23.288
 1039    H    LEU 137           H        LEU 137   2.074   5.629 -20.662
 1040    HA   LEU 137           HA       LEU 137   1.865   2.847 -20.141
 1041   1HB   LEU 137          HB2       LEU 137   4.014   4.196 -20.532
 1042   2HB   LEU 137          HB3       LEU 137   3.798   4.872 -18.920
 1043    HG   LEU 137           HG       LEU 137   3.706   2.367 -18.122
 1044   1HD1  LEU 137          HD11      LEU 137   5.088   0.866 -19.554
 1045   2HD1  LEU 137          HD12      LEU 137   3.581   1.347 -20.364
 1046   3HD1  LEU 137          HD13      LEU 137   5.116   2.110 -20.817
 1047   1HD2  LEU 137          HD21      LEU 137   5.464   3.944 -17.512
 1048   2HD2  LEU 137          HD22      LEU 137   6.094   2.326 -17.800
 1049   3HD2  LEU 137          HD23      LEU 137   6.319   3.596 -19.037
 1050    H    LEU 138           H        LEU 138   1.671   5.684 -17.972
 1051    HA   LEU 138           HA       LEU 138   1.504   4.042 -15.641
 1052   1HB   LEU 138          HB2       LEU 138   0.924   6.969 -16.090
 1053   2HB   LEU 138          HB3       LEU 138   0.693   6.172 -14.536
 1054    HG   LEU 138           HG       LEU 138   3.319   6.603 -15.990
 1055   1HD1  LEU 138          HD11      LEU 138   3.772   7.875 -13.877
 1056   2HD1  LEU 138          HD12      LEU 138   2.364   8.467 -14.794
 1057   3HD1  LEU 138          HD13      LEU 138   2.130   7.503 -13.344
 1058   1HD2  LEU 138          HD21      LEU 138   4.442   5.553 -14.035
 1059   2HD2  LEU 138          HD22      LEU 138   2.885   4.843 -13.565
 1060   3HD2  LEU 138          HD23      LEU 138   3.631   4.426 -15.120
 1061    H    ARG 139           H        ARG 139  -0.981   5.283 -17.823
 1062    HA   ARG 139           HA       ARG 139  -3.160   4.625 -16.082
 1063   1HB   ARG 139          HB2       ARG 139  -2.902   4.958 -19.087
 1064   2HB   ARG 139          HB3       ARG 139  -4.387   4.302 -18.375
 1065   1HG   ARG 139          HG2       ARG 139  -4.595   6.261 -16.904
 1066   2HG   ARG 139          HG3       ARG 139  -3.143   6.984 -17.596
 1067   1HD   ARG 139          HD2       ARG 139  -5.356   6.195 -19.495
 1068   2HD   ARG 139          HD3       ARG 139  -5.671   7.529 -18.400
 1069    HE   ARG 139           HE       ARG 139  -3.925   8.814 -19.303
 1070   1HH1  ARG 139          HH21      ARG 139  -4.460   5.869 -21.219
 1071   2HH1  ARG 139          HH22      ARG 139  -3.818   6.543 -22.670
 1072   1HH2  ARG 139          HH11      ARG 139  -3.121   9.713 -21.177
 1073   2HH2  ARG 139          HH12      ARG 139  -2.948   8.768 -22.627
 1074    H    GLN 140           H        GLN 140  -1.179   2.633 -18.298
 1075    HA   GLN 140           HA       GLN 140  -2.694   0.243 -17.743
 1076   1HB   GLN 140          HB2       GLN 140   0.236   0.398 -18.491
 1077   2HB   GLN 140          HB3       GLN 140  -0.822  -1.006 -18.606
 1078   1HG   GLN 140          HG2       GLN 140  -2.119   0.137 -20.392
 1079   2HG   GLN 140          HG3       GLN 140  -1.038   1.536 -20.264
 1080   1HE2  GLN 140          HE22      GLN 140  -0.973  -2.025 -20.951
 1081   2HE2  GLN 140          HE21      GLN 140   0.415  -1.939 -22.003
 1082    H    LEU 141           H        LEU 141   0.188   1.775 -16.315
 1083    HA   LEU 141           HA       LEU 141   0.855  -0.257 -14.525
 1084   1HB   LEU 141          HB2       LEU 141   2.062   1.932 -15.213
 1085   2HB   LEU 141          HB3       LEU 141   1.206   2.697 -13.881
 1086    HG   LEU 141           HG       LEU 141   2.605   0.196 -13.097
 1087   1HD1  LEU 141          HD11      LEU 141   4.087   1.032 -14.918
 1088   2HD1  LEU 141          HD12      LEU 141   4.335   2.515 -13.967
 1089   3HD1  LEU 141          HD13      LEU 141   4.822   0.929 -13.338
 1090   1HD2  LEU 141          HD21      LEU 141   2.798   3.009 -11.995
 1091   2HD2  LEU 141          HD22      LEU 141   1.678   1.745 -11.437
 1092   3HD2  LEU 141          HD23      LEU 141   3.423   1.524 -11.253
 1093    H    ALA 142           H        ALA 142  -1.440   2.409 -14.090
 1094    HA   ALA 142           HA       ALA 142  -2.110   1.817 -11.378
 1095   1HB   ALA 142          HB1       ALA 142  -2.592   3.985 -12.421
 1096   2HB   ALA 142          HB2       ALA 142  -3.729   3.219 -13.553
 1097   3HB   ALA 142          HB3       ALA 142  -4.086   3.251 -11.815
 1098    H    LYS 143           H        LYS 143  -3.490   0.746 -14.499
 1099    HA   LYS 143           HA       LYS 143  -5.672  -0.618 -13.241
 1100   1HB   LYS 143          HB2       LYS 143  -6.468  -1.095 -15.256
 1101   2HB   LYS 143          HB3       LYS 143  -5.365   0.187 -15.728
 1102   1HG   LYS 143          HG2       LYS 143  -3.692  -1.706 -16.307
 1103   2HG   LYS 143          HG3       LYS 143  -5.034  -2.820 -16.095
 1104   1HD   LYS 143          HD2       LYS 143  -5.012  -0.438 -18.006
 1105   2HD   LYS 143          HD3       LYS 143  -4.590  -2.096 -18.462
 1106   1HE   LYS 143          HE2       LYS 143  -6.867  -2.859 -17.769
 1107   2HE   LYS 143          HE3       LYS 143  -7.295  -1.194 -17.358
 1108   1HZ   LYS 143          HZ1       LYS 143  -8.079  -1.790 -19.555
 1109   2HZ   LYS 143          HZ2       LYS 143  -6.973  -0.605 -19.692
 1110   3HZ   LYS 143          HZ3       LYS 143  -6.578  -2.147 -20.072
 1111    H    GLN 144           H        GLN 144  -2.395  -1.575 -14.130
 1112    HA   GLN 144           HA       GLN 144  -2.606  -4.312 -13.346
 1113   1HB   GLN 144          HB2       GLN 144  -0.233  -2.402 -13.322
 1114   2HB   GLN 144          HB3       GLN 144  -0.128  -4.106 -12.895
 1115   1HG   GLN 144          HG2       GLN 144  -0.900  -4.764 -15.129
 1116   2HG   GLN 144          HG3       GLN 144  -1.077  -3.071 -15.599
 1117   1HE2  GLN 144          HE22      GLN 144   1.186  -5.706 -15.251
 1118   2HE2  GLN 144          HE21      GLN 144   2.644  -4.788 -15.583
 1119    H    LEU 145           H        LEU 145  -1.481  -1.397 -11.428
 1120    HA   LEU 145           HA       LEU 145  -0.927  -2.772  -9.103
 1121   1HB   LEU 145          HB2       LEU 145  -2.156   0.014  -9.226
 1122   2HB   LEU 145          HB3       LEU 145  -1.489  -0.743  -7.796
 1123    HG   LEU 145           HG       LEU 145  -0.073   0.481 -10.115
 1124   1HD1  LEU 145          HD11      LEU 145   1.200   1.522  -8.398
 1125   2HD1  LEU 145          HD12      LEU 145  -0.501   1.601  -7.914
 1126   3HD1  LEU 145          HD13      LEU 145   0.573   0.410  -7.155
 1127   1HD2  LEU 145          HD21      LEU 145   2.082  -0.571  -9.443
 1128   2HD2  LEU 145          HD22      LEU 145   1.190  -1.713  -8.417
 1129   3HD2  LEU 145          HD23      LEU 145   0.961  -1.716 -10.182
 1130    H    LYS 146           H        LYS 146  -4.153  -1.506 -10.028
 1131    HA   LYS 146           HA       LYS 146  -5.436  -2.193  -7.611
 1132   1HB   LYS 146          HB2       LYS 146  -6.199  -1.239 -10.265
 1133   2HB   LYS 146          HB3       LYS 146  -7.372  -2.433  -9.695
 1134   1HG   LYS 146          HG2       LYS 146  -7.638  -1.175  -7.577
 1135   2HG   LYS 146          HG3       LYS 146  -6.434   0.003  -8.125
 1136   1HD   LYS 146          HD2       LYS 146  -7.893   0.613 -10.034
 1137   2HD   LYS 146          HD3       LYS 146  -9.121  -0.537  -9.451
 1138   1HE   LYS 146          HE2       LYS 146  -9.210   0.730  -7.275
 1139   2HE   LYS 146          HE3       LYS 146  -8.035   1.878  -7.928
 1140   1HZ   LYS 146          HZ1       LYS 146 -10.815   1.477  -8.836
 1141   2HZ   LYS 146          HZ2       LYS 146 -10.104   2.854  -8.265
 1142   3HZ   LYS 146          HZ3       LYS 146  -9.710   2.307  -9.736
 1143    H    LYS 147           H        LYS 147  -4.108  -4.430  -9.787
 1144    HA   LYS 147           HA       LYS 147  -5.658  -6.655  -8.579
 1145   1HB   LYS 147          HB2       LYS 147  -4.857  -6.365 -11.513
 1146   2HB   LYS 147          HB3       LYS 147  -5.636  -7.778 -10.789
 1147   1HG   LYS 147          HG2       LYS 147  -7.629  -6.385 -10.253
 1148   2HG   LYS 147          HG3       LYS 147  -6.859  -5.010 -11.081
 1149   1HD   LYS 147          HD2       LYS 147  -6.647  -6.444 -13.143
 1150   2HD   LYS 147          HD3       LYS 147  -7.620  -7.686 -12.344
 1151   1HE   LYS 147          HE2       LYS 147  -8.473  -4.800 -12.823
 1152   2HE   LYS 147          HE3       LYS 147  -8.870  -6.144 -13.901
 1153   1HZ   LYS 147          HZ1       LYS 147 -10.692  -5.692 -12.403
 1154   2HZ   LYS 147          HZ2       LYS 147 -10.101  -7.172 -12.080
 1155   3HZ   LYS 147          HZ3       LYS 147  -9.766  -5.916 -11.083
 1156    H    ASP 148           H        ASP 148  -2.803  -5.343  -8.196
 1157    HA   ASP 148           HA       ASP 148  -1.165  -7.770  -8.843
 1158   1HB   ASP 148          HB2       ASP 148  -0.816  -5.740 -10.308
 1159   2HB   ASP 148          HB3       ASP 148  -0.168  -4.916  -8.882
 1160    H    ARG 149           H        ARG 149   1.195  -6.539  -7.496
 1161    HA   ARG 149           HA       ARG 149   1.015  -7.860  -5.034
 1162   1HB   ARG 149          HB2       ARG 149   3.043  -7.369  -6.390
 1163   2HB   ARG 149          HB3       ARG 149   2.884  -5.649  -6.007
 1164   1HG   ARG 149          HG2       ARG 149   3.325  -6.104  -3.635
 1165   2HG   ARG 149          HG3       ARG 149   3.394  -7.851  -3.959
 1166   1HD   ARG 149          HD2       ARG 149   5.347  -7.515  -5.426
 1167   2HD   ARG 149          HD3       ARG 149   5.213  -5.764  -5.238
 1168    HE   ARG 149           HE       ARG 149   5.783  -5.908  -2.937
 1169   1HH1  ARG 149          HH22      ARG 149   6.421  -8.948  -4.699
 1170   2HH1  ARG 149          HH21      ARG 149   7.592  -9.510  -3.566
 1171   1HH2  ARG 149          HH11      ARG 149   7.309  -6.628  -1.477
 1172   2HH2  ARG 149          HH12      ARG 149   8.098  -8.173  -1.659
 1173    H    ARG 150           H        ARG 150   0.184  -4.567  -5.848
 1174    HA   ARG 150           HA       ARG 150   0.370  -3.165  -3.463
 1175   1HB   ARG 150          HB2       ARG 150  -0.206  -2.122  -5.562
 1176   2HB   ARG 150          HB3       ARG 150  -1.627  -3.125  -5.737
 1177   1HG   ARG 150          HG2       ARG 150  -1.790  -1.553  -3.265
 1178   2HG   ARG 150          HG3       ARG 150  -1.453  -0.526  -4.655
 1179   1HD   ARG 150          HD2       ARG 150  -3.883  -0.752  -4.203
 1180   2HD   ARG 150          HD3       ARG 150  -3.411  -1.292  -5.829
 1181    HE   ARG 150           HE       ARG 150  -3.309  -3.571  -4.267
 1182   1HH1  ARG 150          HH21      ARG 150  -5.952  -1.314  -5.052
 1183   2HH1  ARG 150          HH22      ARG 150  -7.131  -2.567  -5.169
 1184   1HH2  ARG 150          HH11      ARG 150  -4.823  -5.149  -4.354
 1185   2HH2  ARG 150          HH12      ARG 150  -6.475  -4.825  -4.762
  Start of MODEL    8
    1   1H    MET   1           H1       MET   1   1.476  -0.022   0.037
    2   2H    MET   1           H2       MET   1   1.622  -1.656  -0.058
    3   3H    MET   1           H3       MET   1   2.819  -0.755   0.607
    4    HA   MET   1           HA       MET   1   3.480  -1.443  -1.576
    5   1HB   MET   1          HB2       MET   1   1.218  -1.700  -2.524
    6   2HB   MET   1          HB3       MET   1   0.972   0.048  -2.490
    7   1HG   MET   1          HG2       MET   1   1.565  -0.832  -4.726
    8   2HG   MET   1          HG3       MET   1   2.703   0.385  -4.170
    9   1HE   MET   1          HE1       MET   1   4.234  -2.796  -6.411
   10   2HE   MET   1          HE2       MET   1   2.499  -2.502  -6.228
   11   3HE   MET   1          HE3       MET   1   3.588  -1.147  -6.615
   12    H    ASP   2           H        ASP   2   5.297  -0.198  -1.933
   13    HA   ASP   2           HA       ASP   2   4.977   2.705  -2.136
   14   1HB   ASP   2          HB2       ASP   2   5.717   2.483   0.140
   15   2HB   ASP   2          HB3       ASP   2   6.998   1.372  -0.344
   16    H    ILE   3           H        ILE   3   6.102   3.451  -3.861
   17    HA   ILE   3           HA       ILE   3   7.712   1.460  -5.365
   18    HB   ILE   3           HB       ILE   3   6.036   3.704  -6.500
   19   1HG1  ILE   3          HG12      ILE   3   5.190   0.793  -6.202
   20   2HG1  ILE   3          HG13      ILE   3   4.528   2.156  -5.310
   21   1HG2  ILE   3          HG21      ILE   3   6.273   2.448  -8.638
   22   2HG2  ILE   3          HG22      ILE   3   7.805   2.996  -7.997
   23   3HG2  ILE   3          HG23      ILE   3   7.347   1.295  -7.811
   24   1HD1  ILE   3          HD11      ILE   3   2.973   1.637  -7.000
   25   2HD1  ILE   3          HD12      ILE   3   3.735   3.167  -7.459
   26   3HD1  ILE   3          HD13      ILE   3   4.198   1.651  -8.275
   27    H    ILE   4           H        ILE   4   9.788   2.113  -6.073
   28    HA   ILE   4           HA       ILE   4  10.464   4.998  -5.787
   29    HB   ILE   4           HB       ILE   4  12.469   2.737  -5.921
   30   1HG1  ILE   4          HG12      ILE   4  11.535   4.134  -3.384
   31   2HG1  ILE   4          HG13      ILE   4  11.085   2.492  -3.861
   32   1HG2  ILE   4          HG21      ILE   4  12.746   5.640  -5.004
   33   2HG2  ILE   4          HG22      ILE   4  14.058   4.460  -5.217
   34   3HG2  ILE   4          HG23      ILE   4  13.195   5.048  -6.615
   35   1HD1  ILE   4          HD11      ILE   4  12.913   2.411  -2.263
   36   2HD1  ILE   4          HD12      ILE   4  13.458   1.788  -3.827
   37   3HD1  ILE   4          HD13      ILE   4  13.921   3.411  -3.306
   38    H    PHE   5           H        PHE   5  10.311   5.981  -7.737
   39    HA   PHE   5           HA       PHE   5  10.891   4.556 -10.242
   40   1HB   PHE   5          HB2       PHE   5  10.327   7.496  -9.605
   41   2HB   PHE   5          HB3       PHE   5  10.598   6.856 -11.219
   42    HD1  PHE   5           HD1      PHE   5   8.991   5.089 -12.149
   43    HD2  PHE   5           HD2      PHE   5   8.112   7.439  -8.632
   44    HE1  PHE   5           HE1      PHE   5   6.575   4.581 -12.406
   45    HE2  PHE   5           HE2      PHE   5   5.702   6.918  -8.900
   46    HZ   PHE   5           HZ       PHE   5   4.928   5.492 -10.783
   47    H    VAL   6           H        VAL   6  13.001   4.597 -11.164
   48    HA   VAL   6           HA       VAL   6  14.942   6.441  -9.955
   49    HB   VAL   6           HB       VAL   6  15.030   4.656  -8.457
   50   1HG1  VAL   6          HG11      VAL   6  15.445   2.344  -8.967
   51   2HG1  VAL   6          HG12      VAL   6  13.962   2.861  -9.768
   52   3HG1  VAL   6          HG13      VAL   6  15.472   2.684 -10.707
   53   1HG2  VAL   6          HG21      VAL   6  17.402   4.382 -10.347
   54   2HG2  VAL   6          HG22      VAL   6  17.203   5.552  -9.016
   55   3HG2  VAL   6          HG23      VAL   6  17.342   3.831  -8.670
   56    H    CYS   7           H        CYS   7  16.436   7.227 -11.159
   57    HA   CYS   7           HA       CYS   7  17.211   6.118 -13.755
   58   1HB   CYS   7          HB2       CYS   7  15.121   7.654 -14.017
   59   2HB   CYS   7          HB3       CYS   7  16.167   8.975 -13.484
   60    HG   CYS   7           HG       CYS   7  15.821   8.917 -16.140
   61    H    THR   8           H        THR   8  19.351   7.079 -14.331
   62    HA   THR   8           HA       THR   8  20.980   8.027 -12.218
   63    HB   THR   8           HB       THR   8  22.386   8.878 -14.279
   64    HG1  THR   8           HG1      THR   8  20.696   8.866 -15.795
   65   1HG2  THR   8          HG21      THR   8  22.959   6.844 -13.098
   66   2HG2  THR   8          HG22      THR   8  21.676   5.935 -13.927
   67   3HG2  THR   8          HG23      THR   8  23.074   6.550 -14.836
   68    H    GLY   9           H        GLY   9  21.581  10.150 -11.565
   69   1HA   GLY   9          HA2       GLY   9  21.391  12.384 -11.277
   70   2HA   GLY   9          HA3       GLY   9  20.601  12.518 -12.853
   71    H    ASN  10           H        ASN  10  18.637  10.331 -11.492
   72    HA   ASN  10           HA       ASN  10  16.562  10.266 -10.737
   73   1HB   ASN  10          HB2       ASN  10  17.350  10.948  -8.575
   74   2HB   ASN  10          HB3       ASN  10  17.379  12.642  -9.041
   75   1HD2  ASN  10          HD22      ASN  10  15.671  13.808  -8.215
   76   2HD2  ASN  10          HD21      ASN  10  14.115  13.107  -7.827
   77    H    THR  11           H        THR  11  17.367  13.705 -11.411
   78    HA   THR  11           HA       THR  11  14.764  14.595 -11.810
   79    HB   THR  11           HB       THR  11  15.963  16.565 -12.828
   80    HG1  THR  11           HG1      THR  11  18.211  16.435 -12.956
   81   1HG2  THR  11          HG21      THR  11  17.296  17.097 -10.816
   82   2HG2  THR  11          HG22      THR  11  15.747  16.344 -10.357
   83   3HG2  THR  11          HG23      THR  11  17.261  15.412 -10.314
   84    H    CYS  12           H        CYS  12  16.802  12.894 -14.093
   85    HA   CYS  12           HA       CYS  12  15.976  13.928 -16.495
   86   1HB   CYS  12          HB2       CYS  12  16.599  11.007 -15.895
   87   2HB   CYS  12          HB3       CYS  12  16.684  11.793 -17.480
   88    HG   CYS  12           HG       CYS  12  18.804  11.477 -15.218
   89    H    ARG  13           H        ARG  13  14.134  11.615 -14.492
   90    HA   ARG  13           HA       ARG  13  11.750  12.430 -15.850
   91   1HB   ARG  13          HB2       ARG  13  12.845  10.487 -17.356
   92   2HB   ARG  13          HB3       ARG  13  12.112   9.436 -16.144
   93   1HG   ARG  13          HG2       ARG  13   9.903  10.684 -16.587
   94   2HG   ARG  13          HG3       ARG  13  10.729  11.510 -17.911
   95   1HD   ARG  13          HD2       ARG  13  10.180   8.529 -17.629
   96   2HD   ARG  13          HD3       ARG  13   9.441   9.647 -18.768
   97    HE   ARG  13           HE       ARG  13  11.428   9.782 -20.039
   98   1HH1  ARG  13          HH21      ARG  13  11.611   7.204 -17.540
   99   2HH1  ARG  13          HH22      ARG  13  12.662   6.251 -18.541
  100   1HH2  ARG  13          HH11      ARG  13  13.041   8.578 -21.069
  101   2HH2  ARG  13          HH12      ARG  13  13.699   7.141 -20.342
  102    H    SER  14           H        SER  14  13.291  10.274 -13.417
  103    HA   SER  14           HA       SER  14  11.137   8.992 -12.430
  104   1HB   SER  14          HB2       SER  14  13.323  10.213 -10.743
  105   2HB   SER  14          HB3       SER  14  12.380   8.748 -10.397
  106    HG   SER  14           HG       SER  14  14.515   8.471 -11.351
  107    HA   PRO  15           HA       PRO  15   9.716  12.449  -9.512
  108   1HB   PRO  15          HB2       PRO  15  10.223  15.086 -10.004
  109   2HB   PRO  15          HB3       PRO  15  11.238  14.019  -8.989
  110   1HG   PRO  15          HG2       PRO  15  11.668  14.757 -11.892
  111   2HG   PRO  15          HG3       PRO  15  12.856  14.774 -10.546
  112   1HD   PRO  15          HD2       PRO  15  12.689  12.696 -12.263
  113   2HD   PRO  15          HD3       PRO  15  13.003  12.415 -10.525
  114    H    MET  16           H        MET  16   9.836  13.013 -13.036
  115    HA   MET  16           HA       MET  16   7.295  14.348 -13.231
  116   1HB   MET  16          HB2       MET  16   8.674  12.539 -15.273
  117   2HB   MET  16          HB3       MET  16   7.289  13.555 -15.577
  118   1HG   MET  16          HG2       MET  16   8.582  15.567 -15.271
  119   2HG   MET  16          HG3       MET  16   9.960  14.655 -14.655
  120   1HE   MET  16          HE1       MET  16   8.682  14.719 -19.125
  121   2HE   MET  16          HE2       MET  16   7.783  13.697 -17.976
  122   3HE   MET  16          HE3       MET  16   7.774  15.478 -17.804
  123    H    ALA  17           H        ALA  17   8.425  10.967 -13.371
  124    HA   ALA  17           HA       ALA  17   5.851   9.863 -13.832
  125   1HB   ALA  17          HB1       ALA  17   8.030   8.671 -14.298
  126   2HB   ALA  17          HB2       ALA  17   8.272   8.501 -12.547
  127   3HB   ALA  17          HB3       ALA  17   6.901   7.699 -13.332
  128    H    GLU  18           H        GLU  18   7.654  10.488 -10.844
  129    HA   GLU  18           HA       GLU  18   5.777   9.388  -9.038
  130   1HB   GLU  18          HB2       GLU  18   7.820   9.911  -8.099
  131   2HB   GLU  18          HB3       GLU  18   7.945  11.457  -8.944
  132   1HG   GLU  18          HG2       GLU  18   6.295  12.462  -7.410
  133   2HG   GLU  18          HG3       GLU  18   6.205  10.950  -6.515
  134    H    ALA  19           H        ALA  19   5.979  12.704 -10.395
  135    HA   ALA  19           HA       ALA  19   3.758  13.568  -8.818
  136   1HB   ALA  19          HB1       ALA  19   3.888  15.613 -10.145
  137   2HB   ALA  19          HB2       ALA  19   5.522  15.062  -9.785
  138   3HB   ALA  19          HB3       ALA  19   4.836  14.786 -11.404
  139    H    LEU  20           H        LEU  20   4.027  12.297 -12.088
  140    HA   LEU  20           HA       LEU  20   1.289  12.776 -12.764
  141   1HB   LEU  20          HB2       LEU  20   3.513  12.162 -14.209
  142   2HB   LEU  20          HB3       LEU  20   2.783  10.574 -14.114
  143    HG   LEU  20           HG       LEU  20   1.629  13.131 -15.269
  144   1HD1  LEU  20          HD11      LEU  20   2.351  10.517 -16.634
  145   2HD1  LEU  20          HD12      LEU  20   1.727  11.984 -17.407
  146   3HD1  LEU  20          HD13      LEU  20   3.324  12.005 -16.651
  147   1HD2  LEU  20          HD21      LEU  20  -0.310  11.813 -16.047
  148   2HD2  LEU  20          HD22      LEU  20   0.275  10.414 -15.111
  149   3HD2  LEU  20          HD23      LEU  20  -0.261  11.901 -14.294
  150    H    PHE  21           H        PHE  21   3.054   9.960 -11.386
  151    HA   PHE  21           HA       PHE  21   0.681   8.347 -11.479
  152   1HB   PHE  21          HB2       PHE  21   3.029   7.373 -11.405
  153   2HB   PHE  21          HB3       PHE  21   3.034   7.738  -9.675
  154    HD1  PHE  21           HD1      PHE  21   1.161   5.945 -12.385
  155    HD2  PHE  21           HD2      PHE  21   1.783   6.257  -8.133
  156    HE1  PHE  21           HE1      PHE  21  -0.400   4.089 -12.033
  157    HE2  PHE  21           HE2      PHE  21   0.254   4.328  -7.800
  158    HZ   PHE  21           HZ       PHE  21  -0.874   3.274  -9.735
  159    H    LYS  22           H        LYS  22   2.134  10.457  -8.998
  160    HA   LYS  22           HA       LYS  22   0.321   9.788  -6.916
  161   1HB   LYS  22          HB2       LYS  22   1.822  12.340  -7.633
  162   2HB   LYS  22          HB3       LYS  22   0.717  12.285  -6.256
  163   1HG   LYS  22          HG2       LYS  22   1.978  10.534  -5.162
  164   2HG   LYS  22          HG3       LYS  22   2.999  10.300  -6.574
  165   1HD   LYS  22          HD2       LYS  22   4.240  11.517  -4.907
  166   2HD   LYS  22          HD3       LYS  22   3.941  12.580  -6.293
  167   1HE   LYS  22          HE2       LYS  22   2.065  13.655  -5.070
  168   2HE   LYS  22          HE3       LYS  22   2.303  12.550  -3.710
  169   1HZ   LYS  22          HZ1       LYS  22   4.494  13.535  -3.375
  170   2HZ   LYS  22          HZ2       LYS  22   4.281  14.556  -4.638
  171   3HZ   LYS  22          HZ3       LYS  22   3.346  14.686  -3.312
  172    H    SER  23           H        SER  23   0.034  12.160  -9.570
  173    HA   SER  23           HA       SER  23  -2.534  13.040  -8.787
  174   1HB   SER  23          HB2       SER  23  -1.346  12.954 -11.589
  175   2HB   SER  23          HB3       SER  23  -2.683  13.984 -11.034
  176    HG   SER  23           HG       SER  23   0.051  14.031 -10.241
  177    H    ILE  24           H        ILE  24  -1.601  10.348 -10.938
  178    HA   ILE  24           HA       ILE  24  -4.310   9.683 -11.608
  179    HB   ILE  24           HB       ILE  24  -1.731   8.088 -11.775
  180   1HG1  ILE  24          HG12      ILE  24  -3.532   9.318 -13.927
  181   2HG1  ILE  24          HG13      ILE  24  -2.067  10.073 -13.316
  182   1HG2  ILE  24          HG21      ILE  24  -3.599   6.478 -11.493
  183   2HG2  ILE  24          HG22      ILE  24  -4.492   7.271 -12.806
  184   3HG2  ILE  24          HG23      ILE  24  -2.968   6.414 -13.125
  185   1HD1  ILE  24          HD11      ILE  24  -2.196   7.463 -14.881
  186   2HD1  ILE  24          HD12      ILE  24  -1.585   9.017 -15.430
  187   3HD1  ILE  24          HD13      ILE  24  -0.724   8.145 -14.143
  188    H    ALA  25           H        ALA  25  -2.117   8.605  -9.006
  189    HA   ALA  25           HA       ALA  25  -3.863   6.603  -8.021
  190   1HB   ALA  25          HB1       ALA  25  -1.717   8.203  -6.550
  191   2HB   ALA  25          HB2       ALA  25  -2.479   6.713  -5.962
  192   3HB   ALA  25          HB3       ALA  25  -1.468   6.670  -7.421
  193    H    GLU  26           H        GLU  26  -3.554  10.069  -7.271
  194    HA   GLU  26           HA       GLU  26  -5.467  10.061  -5.183
  195   1HB   GLU  26          HB2       GLU  26  -3.777  11.877  -5.679
  196   2HB   GLU  26          HB3       GLU  26  -4.728  12.324  -7.093
  197   1HG   GLU  26          HG2       GLU  26  -5.252  13.862  -5.347
  198   2HG   GLU  26          HG3       GLU  26  -6.666  12.847  -5.573
  199    H    ARG  27           H        ARG  27  -5.814  10.550  -8.717
  200    HA   ARG  27           HA       ARG  27  -8.616  11.151  -8.447
  201   1HB   ARG  27          HB2       ARG  27  -8.668  11.587 -10.663
  202   2HB   ARG  27          HB3       ARG  27  -6.970  11.825 -10.299
  203   1HG   ARG  27          HG2       ARG  27  -6.723  10.669 -12.222
  204   2HG   ARG  27          HG3       ARG  27  -6.783   9.297 -11.130
  205   1HD   ARG  27          HD2       ARG  27  -9.340   9.269 -11.584
  206   2HD   ARG  27          HD3       ARG  27  -8.998  10.374 -12.915
  207    HE   ARG  27           HE       ARG  27  -8.485   7.510 -12.744
  208   1HH1  ARG  27          HH11      ARG  27  -7.401  10.424 -14.492
  209   2HH1  ARG  27          HH12      ARG  27  -6.652   9.514 -15.750
  210   1HH2  ARG  27          HH21      ARG  27  -7.606   6.387 -14.276
  211   2HH2  ARG  27          HH22      ARG  27  -6.803   7.085 -15.671
  212    H    GLU  28           H        GLU  28  -6.811   8.220  -9.020
  213    HA   GLU  28           HA       GLU  28  -9.126   6.505  -9.505
  214   1HB   GLU  28          HB2       GLU  28  -6.190   6.007  -8.865
  215   2HB   GLU  28          HB3       GLU  28  -7.326   4.692  -9.027
  216   1HG   GLU  28          HG2       GLU  28  -6.716   6.718 -11.215
  217   2HG   GLU  28          HG3       GLU  28  -6.019   5.108 -11.088
  218    H    GLY  29           H        GLY  29  -7.418   7.631  -6.618
  219   1HA   GLY  29          HA2       GLY  29  -7.866   7.295  -4.385
  220   2HA   GLY  29          HA3       GLY  29  -9.270   6.284  -4.789
  221    H    LEU  30           H        LEU  30  -5.896   5.935  -5.955
  222    HA   LEU  30           HA       LEU  30  -5.976   3.063  -5.273
  223   1HB   LEU  30          HB2       LEU  30  -5.007   4.489  -7.469
  224   2HB   LEU  30          HB3       LEU  30  -3.529   4.145  -6.584
  225    HG   LEU  30           HG       LEU  30  -5.622   2.069  -7.372
  226   1HD1  LEU  30          HD11      LEU  30  -4.552   3.090  -9.346
  227   2HD1  LEU  30          HD12      LEU  30  -2.948   2.696  -8.687
  228   3HD1  LEU  30          HD13      LEU  30  -4.086   1.397  -9.153
  229   1HD2  LEU  30          HD21      LEU  30  -3.891   0.396  -6.887
  230   2HD2  LEU  30          HD22      LEU  30  -2.775   1.670  -6.355
  231   3HD2  LEU  30          HD23      LEU  30  -4.260   1.326  -5.441
  232    H    ASN  31           H        ASN  31  -5.059   2.351  -3.403
  233    HA   ASN  31           HA       ASN  31  -3.569   4.131  -1.662
  234   1HB   ASN  31          HB2       ASN  31  -5.048   2.450  -0.693
  235   2HB   ASN  31          HB3       ASN  31  -4.170   1.153  -1.516
  236   1HD2  ASN  31          HD22      ASN  31  -3.486   0.064   0.404
  237   2HD2  ASN  31          HD21      ASN  31  -2.351   0.773   1.520
  238    H    VAL  32           H        VAL  32  -1.552   4.722  -2.342
  239    HA   VAL  32           HA       VAL  32   0.502   2.641  -2.418
  240    HB   VAL  32           HB       VAL  32   1.676   3.730  -4.320
  241   1HG1  VAL  32          HG11      VAL  32  -1.005   2.711  -5.261
  242   2HG1  VAL  32          HG12      VAL  32   0.550   2.725  -6.129
  243   3HG1  VAL  32          HG13      VAL  32   0.340   1.682  -4.714
  244   1HG2  VAL  32          HG21      VAL  32   0.496   5.950  -4.245
  245   2HG2  VAL  32          HG22      VAL  32   0.625   5.239  -5.844
  246   3HG2  VAL  32          HG23      VAL  32  -0.923   5.163  -4.968
  247    H    ASN  33           H        ASN  33   2.680   3.747  -2.314
  248    HA   ASN  33           HA       ASN  33   2.676   6.620  -1.785
  249   1HB   ASN  33          HB2       ASN  33   3.141   5.388   0.429
  250   2HB   ASN  33          HB3       ASN  33   4.551   4.670  -0.358
  251   1HD2  ASN  33          HD22      ASN  33   6.381   5.986  -0.757
  252   2HD2  ASN  33          HD21      ASN  33   6.501   7.652  -0.194
  253    H    VAL  34           H        VAL  34   4.654   7.505  -2.773
  254    HA   VAL  34           HA       VAL  34   6.297   5.611  -4.185
  255    HB   VAL  34           HB       VAL  34   6.179   6.518  -6.364
  256   1HG1  VAL  34          HG11      VAL  34   4.300   4.914  -5.857
  257   2HG1  VAL  34          HG12      VAL  34   3.245   6.298  -5.553
  258   3HG1  VAL  34          HG13      VAL  34   3.953   6.043  -7.159
  259   1HG2  VAL  34          HG21      VAL  34   4.623   8.347  -7.033
  260   2HG2  VAL  34          HG22      VAL  34   4.268   8.634  -5.315
  261   3HG2  VAL  34          HG23      VAL  34   5.916   8.869  -5.947
  262    H    ARG  35           H        ARG  35   8.306   6.498  -4.877
  263    HA   ARG  35           HA       ARG  35   9.110   9.184  -3.966
  264   1HB   ARG  35          HB2       ARG  35  10.436   6.517  -3.209
  265   2HB   ARG  35          HB3       ARG  35  11.344   8.010  -3.297
  266   1HG   ARG  35          HG2       ARG  35  10.924   8.226  -1.150
  267   2HG   ARG  35          HG3       ARG  35   9.375   8.884  -1.671
  268   1HD   ARG  35          HD2       ARG  35   8.362   6.618  -1.373
  269   2HD   ARG  35          HD3       ARG  35   9.935   5.994  -0.854
  270    HE   ARG  35           HE       ARG  35   9.062   8.340   0.631
  271   1HH1  ARG  35          HH21      ARG  35   8.841   4.758   0.598
  272   2HH1  ARG  35          HH22      ARG  35   8.674   4.664   2.317
  273   1HH2  ARG  35          HH11      ARG  35   8.741   8.158   2.876
  274   2HH2  ARG  35          HH12      ARG  35   8.571   6.617   3.620
  275    H    SER  36           H        SER  36  11.295   9.653  -4.949
  276    HA   SER  36           HA       SER  36  11.885   8.094  -7.369
  277   1HB   SER  36          HB2       SER  36  12.058  11.118  -7.284
  278   2HB   SER  36          HB3       SER  36  12.306  10.056  -8.663
  279    HG   SER  36           HG       SER  36   9.892  10.570  -7.261
  280    H    ALA  37           H        ALA  37  14.134   7.960  -7.803
  281    HA   ALA  37           HA       ALA  37  16.052   9.388  -6.115
  282   1HB   ALA  37          HB1       ALA  37  17.045   7.338  -5.218
  283   2HB   ALA  37          HB2       ALA  37  15.363   7.438  -4.701
  284   3HB   ALA  37          HB3       ALA  37  15.808   6.345  -6.032
  285    H    GLY  38           H        GLY  38  18.316   8.351  -6.720
  286   1HA   GLY  38          HA2       GLY  38  18.370   7.290  -9.465
  287   2HA   GLY  38          HA3       GLY  38  19.286   8.766  -9.169
  288    H    VAL  39           H        VAL  39  20.269   6.071  -9.922
  289    HA   VAL  39           HA       VAL  39  21.581   4.947  -7.571
  290    HB   VAL  39           HB       VAL  39  23.037   3.835  -9.382
  291   1HG1  VAL  39          HG11      VAL  39  20.034   3.337  -9.351
  292   2HG1  VAL  39          HG12      VAL  39  21.282   2.216  -9.948
  293   3HG1  VAL  39          HG13      VAL  39  21.240   2.660  -8.230
  294   1HG2  VAL  39          HG21      VAL  39  22.166   3.696 -11.635
  295   2HG2  VAL  39          HG22      VAL  39  20.802   4.749 -11.254
  296   3HG2  VAL  39          HG23      VAL  39  22.457   5.404 -11.271
  297    H    PHE  40           H        PHE  40  22.185   7.603  -9.708
  298    HA   PHE  40           HA       PHE  40  24.551   8.398  -8.146
  299   1HB   PHE  40          HB2       PHE  40  24.400   8.309 -11.192
  300   2HB   PHE  40          HB3       PHE  40  25.597   9.220 -10.280
  301    HD1  PHE  40           HD1      PHE  40  27.277   8.026  -8.830
  302    HD2  PHE  40           HD2      PHE  40  24.649   5.895 -11.512
  303    HE1  PHE  40           HE1      PHE  40  28.744   6.029  -8.692
  304    HE2  PHE  40           HE2      PHE  40  26.124   3.910 -11.376
  305    HZ   PHE  40           HZ       PHE  40  28.171   3.967  -9.964
  306    H    ALA  41           H        ALA  41  22.928   9.616  -7.075
  307    HA   ALA  41           HA       ALA  41  22.246  12.158  -8.385
  308   1HB   ALA  41          HB1       ALA  41  20.184  10.809  -8.647
  309   2HB   ALA  41          HB2       ALA  41  20.210  10.413  -6.910
  310   3HB   ALA  41          HB3       ALA  41  19.943  12.085  -7.446
  311    H    SER  42           H        SER  42  21.463  13.686  -6.512
  312    HA   SER  42           HA       SER  42  22.860  13.026  -4.001
  313   1HB   SER  42          HB2       SER  42  23.798  15.375  -4.072
  314   2HB   SER  42          HB3       SER  42  24.475  14.229  -5.238
  315    HG   SER  42           HG       SER  42  24.002  16.217  -6.225
  316    HA   PRO  43           HA       PRO  43  19.305  14.621  -2.005
  317   1HB   PRO  43          HB2       PRO  43  21.194  15.953  -0.071
  318   2HB   PRO  43          HB3       PRO  43  19.719  14.983   0.265
  319   1HG   PRO  43          HG2       PRO  43  22.085  13.756   0.460
  320   2HG   PRO  43          HG3       PRO  43  20.795  12.971  -0.539
  321   1HD   PRO  43          HD2       PRO  43  23.045  14.773  -1.523
  322   2HD   PRO  43          HD3       PRO  43  22.639  13.108  -2.024
  323    H    ASN  44           H        ASN  44  21.005  16.780  -3.816
  324    HA   ASN  44           HA       ASN  44  19.096  18.947  -3.286
  325   1HB   ASN  44          HB2       ASN  44  21.098  19.421  -1.854
  326   2HB   ASN  44          HB3       ASN  44  22.087  19.476  -3.320
  327   1HD2  ASN  44          HD22      ASN  44  22.614  21.691  -3.447
  328   2HD2  ASN  44          HD21      ASN  44  21.433  22.973  -3.444
  329    H    GLY  45           H        GLY  45  19.715  16.897  -5.434
  330   1HA   GLY  45          HA2       GLY  45  19.933  18.671  -7.812
  331   2HA   GLY  45          HA3       GLY  45  19.521  16.945  -7.796
  332    H    LYS  46           H        LYS  46  17.788  18.951  -9.075
  333    HA   LYS  46           HA       LYS  46  15.349  18.323  -7.643
  334   1HB   LYS  46          HB2       LYS  46  14.559  20.641  -7.382
  335   2HB   LYS  46          HB3       LYS  46  15.954  20.300  -6.371
  336   1HG   LYS  46          HG2       LYS  46  17.421  21.494  -7.997
  337   2HG   LYS  46          HG3       LYS  46  16.012  21.806  -9.031
  338   1HD   LYS  46          HD2       LYS  46  14.945  23.081  -7.179
  339   2HD   LYS  46          HD3       LYS  46  16.380  22.791  -6.166
  340   1HE   LYS  46          HE2       LYS  46  17.793  23.945  -7.852
  341   2HE   LYS  46          HE3       LYS  46  16.366  24.228  -8.860
  342   1HZ   LYS  46          HZ1       LYS  46  16.776  25.338  -6.140
  343   2HZ   LYS  46          HZ2       LYS  46  16.913  26.169  -7.534
  344   3HZ   LYS  46          HZ3       LYS  46  15.459  25.601  -7.075
  345    H    ALA  47           H        ALA  47  13.449  19.043  -8.810
  346    HA   ALA  47           HA       ALA  47  13.318  18.045 -11.337
  347   1HB   ALA  47          HB1       ALA  47  11.160  19.186 -11.558
  348   2HB   ALA  47          HB2       ALA  47  11.388  18.623  -9.885
  349   3HB   ALA  47          HB3       ALA  47  11.609  20.344 -10.289
  350    H    THR  48           H        THR  48  13.635  18.694 -13.478
  351    HA   THR  48           HA       THR  48  15.481  20.826 -13.803
  352    HB   THR  48           HB       THR  48  15.630  20.215 -16.077
  353    HG1  THR  48           HG1      THR  48  14.105  18.944 -17.106
  354   1HG2  THR  48          HG21      THR  48  14.799  17.619 -14.731
  355   2HG2  THR  48          HG22      THR  48  15.935  17.841 -16.075
  356   3HG2  THR  48          HG23      THR  48  16.366  18.429 -14.456
  357    HA   PRO  49           HA       PRO  49  12.971  24.365 -14.718
  358   1HB   PRO  49          HB2       PRO  49  14.536  24.599 -17.295
  359   2HB   PRO  49          HB3       PRO  49  14.129  25.877 -16.105
  360   1HG   PRO  49          HG2       PRO  49  16.598  24.766 -16.113
  361   2HG   PRO  49          HG3       PRO  49  15.751  25.046 -14.555
  362   1HD   PRO  49          HD2       PRO  49  16.005  22.474 -16.123
  363   2HD   PRO  49          HD3       PRO  49  16.173  22.755 -14.362
  364    H    HIS  50           H        HIS  50  12.968  21.659 -16.964
  365    HA   HIS  50           HA       HIS  50  10.518  22.758 -18.192
  366   1HB   HIS  50          HB2       HIS  50  12.821  21.445 -19.577
  367   2HB   HIS  50          HB3       HIS  50  11.191  21.434 -20.256
  368    HD1  HIS  50           HD1      HIS  50  11.530  24.738 -18.655
  369    HD2  HIS  50           HD2      HIS  50  12.729  22.844 -22.204
  370    HE1  HIS  50           HE1      HIS  50  12.012  26.598 -20.331
  371    H    ALA  51           H        ALA  51  11.949  19.894 -16.682
  372    HA   ALA  51           HA       ALA  51   9.723  18.182 -17.256
  373   1HB   ALA  51          HB1       ALA  51  11.786  17.290 -16.253
  374   2HB   ALA  51          HB2       ALA  51  11.605  18.357 -14.847
  375   3HB   ALA  51          HB3       ALA  51  10.446  17.048 -15.120
  376    H    VAL  52           H        VAL  52  10.468  20.458 -14.628
  377    HA   VAL  52           HA       VAL  52   8.047  20.228 -13.261
  378    HB   VAL  52           HB       VAL  52  10.379  21.289 -12.736
  379   1HG1  VAL  52          HG11      VAL  52  10.566  23.654 -12.711
  380   2HG1  VAL  52          HG12      VAL  52  10.335  23.109 -14.375
  381   3HG1  VAL  52          HG13      VAL  52   8.970  23.847 -13.478
  382   1HG2  VAL  52          HG21      VAL  52   7.820  22.399 -11.597
  383   2HG2  VAL  52          HG22      VAL  52   8.756  20.980 -11.058
  384   3HG2  VAL  52          HG23      VAL  52   9.434  22.596 -10.868
  385    H    GLU  53           H        GLU  53   8.996  22.331 -15.945
  386    HA   GLU  53           HA       GLU  53   6.635  23.851 -16.031
  387   1HB   GLU  53          HB2       GLU  53   8.831  24.386 -17.149
  388   2HB   GLU  53          HB3       GLU  53   8.506  23.080 -18.286
  389   1HG   GLU  53          HG2       GLU  53   8.080  25.049 -19.436
  390   2HG   GLU  53          HG3       GLU  53   6.507  24.331 -19.117
  391    H    ALA  54           H        ALA  54   7.526  20.793 -17.624
  392    HA   ALA  54           HA       ALA  54   5.210  20.557 -19.244
  393   1HB   ALA  54          HB1       ALA  54   5.920  18.177 -19.442
  394   2HB   ALA  54          HB2       ALA  54   7.272  19.298 -19.651
  395   3HB   ALA  54          HB3       ALA  54   7.071  18.413 -18.121
  396    H    LEU  55           H        LEU  55   5.909  19.465 -15.928
  397    HA   LEU  55           HA       LEU  55   3.224  18.274 -15.729
  398   1HB   LEU  55          HB2       LEU  55   5.504  18.665 -13.826
  399   2HB   LEU  55          HB3       LEU  55   3.901  18.254 -13.201
  400    HG   LEU  55           HG       LEU  55   5.429  16.305 -13.467
  401   1HD1  LEU  55          HD11      LEU  55   3.797  14.775 -14.406
  402   2HD1  LEU  55          HD12      LEU  55   3.019  15.980 -13.381
  403   3HD1  LEU  55          HD13      LEU  55   2.914  16.121 -15.156
  404   1HD2  LEU  55          HD21      LEU  55   5.813  15.286 -15.649
  405   2HD2  LEU  55          HD22      LEU  55   5.034  16.640 -16.472
  406   3HD2  LEU  55          HD23      LEU  55   6.557  16.890 -15.589
  407    H    PHE  56           H        PHE  56   4.573  21.478 -15.065
  408    HA   PHE  56           HA       PHE  56   2.192  22.421 -13.705
  409   1HB   PHE  56          HB2       PHE  56   4.604  23.685 -14.936
  410   2HB   PHE  56          HB3       PHE  56   3.149  24.656 -14.922
  411    HD1  PHE  56           HD1      PHE  56   5.927  23.551 -12.898
  412    HD2  PHE  56           HD2      PHE  56   1.854  24.962 -12.730
  413    HE1  PHE  56           HE1      PHE  56   6.238  24.163 -10.520
  414    HE2  PHE  56           HE2      PHE  56   2.179  25.597 -10.359
  415    HZ   PHE  56           HZ       PHE  56   4.373  25.209  -9.247
  416    H    GLU  57           H        GLU  57   3.152  22.180 -17.172
  417    HA   GLU  57           HA       GLU  57   0.763  23.335 -18.193
  418   1HB   GLU  57          HB2       GLU  57   2.906  22.889 -19.455
  419   2HB   GLU  57          HB3       GLU  57   2.506  21.175 -19.454
  420   1HG   GLU  57          HG2       GLU  57   1.892  22.051 -21.575
  421   2HG   GLU  57          HG3       GLU  57   0.402  21.695 -20.719
  422    H    LYS  58           H        LYS  58   1.572  19.932 -17.288
  423    HA   LYS  58           HA       LYS  58  -1.078  18.931 -17.866
  424   1HB   LYS  58          HB2       LYS  58   1.054  17.583 -17.646
  425   2HB   LYS  58          HB3       LYS  58   0.927  17.764 -15.892
  426   1HG   LYS  58          HG2       LYS  58  -1.075  16.491 -15.787
  427   2HG   LYS  58          HG3       LYS  58  -1.404  16.657 -17.506
  428   1HD   LYS  58          HD2       LYS  58   0.963  15.106 -16.384
  429   2HD   LYS  58          HD3       LYS  58  -0.601  14.368 -16.729
  430   1HE   LYS  58          HE2       LYS  58   1.138  15.802 -18.788
  431   2HE   LYS  58          HE3       LYS  58   1.105  14.052 -18.537
  432   1HZ   LYS  58          HZ1       LYS  58  -1.257  15.643 -19.374
  433   2HZ   LYS  58          HZ2       LYS  58  -0.358  14.699 -20.360
  434   3HZ   LYS  58          HZ3       LYS  58  -1.216  14.018 -19.154
  435    H    HIS  59           H        HIS  59  -0.007  21.016 -15.432
  436    HA   HIS  59           HA       HIS  59  -0.950  22.029 -13.717
  437   1HB   HIS  59          HB2       HIS  59  -2.953  22.051 -15.317
  438   2HB   HIS  59          HB3       HIS  59  -3.654  20.816 -14.275
  439    HD1  HIS  59           HD1      HIS  59  -3.141  24.535 -14.501
  440    HD2  HIS  59           HD2      HIS  59  -3.980  21.635 -11.568
  441    HE1  HIS  59           HE1      HIS  59  -4.016  25.801 -12.474
  442    H    ILE  60           H        ILE  60   0.575  20.088 -13.114
  443    HA   ILE  60           HA       ILE  60  -0.668  18.679 -10.796
  444    HB   ILE  60           HB       ILE  60   1.520  17.852 -12.721
  445   1HG1  ILE  60          HG12      ILE  60  -1.122  16.586 -11.857
  446   2HG1  ILE  60          HG13      ILE  60  -0.836  17.424 -13.376
  447   1HG2  ILE  60          HG21      ILE  60   0.823  16.547 -10.060
  448   2HG2  ILE  60          HG22      ILE  60   1.876  15.838 -11.298
  449   3HG2  ILE  60          HG23      ILE  60   2.366  17.313 -10.494
  450   1HD1  ILE  60          HD11      ILE  60  -0.808  15.039 -13.748
  451   2HD1  ILE  60          HD12      ILE  60   0.799  15.725 -14.050
  452   3HD1  ILE  60          HD13      ILE  60   0.477  14.807 -12.556
  453    H    ALA  61           H        ALA  61   1.727  20.997 -11.843
  454    HA   ALA  61           HA       ALA  61   3.272  22.226 -10.774
  455   1HB   ALA  61          HB1       ALA  61   1.266  23.086  -9.663
  456   2HB   ALA  61          HB2       ALA  61   1.434  21.869  -8.378
  457   3HB   ALA  61          HB3       ALA  61   2.673  23.121  -8.579
  458    H    LEU  62           H        LEU  62   4.595  20.244 -11.221
  459    HA   LEU  62           HA       LEU  62   5.422  18.395  -9.205
  460   1HB   LEU  62          HB2       LEU  62   5.778  18.319 -11.708
  461   2HB   LEU  62          HB3       LEU  62   7.007  19.555 -11.546
  462    HG   LEU  62           HG       LEU  62   7.054  16.651 -10.632
  463   1HD1  LEU  62          HD11      LEU  62   8.884  16.425 -12.201
  464   2HD1  LEU  62          HD12      LEU  62   7.539  17.198 -13.041
  465   3HD1  LEU  62          HD13      LEU  62   8.917  18.173 -12.500
  466   1HD2  LEU  62          HD21      LEU  62   8.269  17.548  -8.863
  467   2HD2  LEU  62          HD22      LEU  62   9.512  17.159 -10.029
  468   3HD2  LEU  62          HD23      LEU  62   8.995  18.842  -9.872
  469    H    ASN  63           H        ASN  63   6.895  18.681  -7.523
  470    HA   ASN  63           HA       ASN  63   8.976  20.650  -7.711
  471   1HB   ASN  63          HB2       ASN  63   6.642  21.477  -6.237
  472   2HB   ASN  63          HB3       ASN  63   7.873  21.061  -5.047
  473   1HD2  ASN  63          HD22      ASN  63   7.724  22.680  -8.279
  474   2HD2  ASN  63          HD21      ASN  63   8.745  24.038  -7.837
  475    H    HIS  64           H        HIS  64  10.734  19.499  -7.052
  476    HA   HIS  64           HA       HIS  64  10.511  17.377  -5.028
  477   1HB   HIS  64          HB2       HIS  64   9.685  16.359  -7.171
  478   2HB   HIS  64          HB3       HIS  64  11.184  16.849  -7.968
  479    HD1  HIS  64           HD1      HIS  64   9.759  14.028  -5.871
  480    HD2  HIS  64           HD2      HIS  64  13.468  15.524  -7.224
  481    HE1  HIS  64           HE1      HIS  64  11.466  12.230  -5.419
  482    H    VAL  65           H        VAL  65  12.532  16.857  -4.211
  483    HA   VAL  65           HA       VAL  65  14.975  18.024  -5.436
  484    HB   VAL  65           HB       VAL  65  14.328  17.905  -2.460
  485   1HG1  VAL  65          HG11      VAL  65  16.749  17.541  -3.024
  486   2HG1  VAL  65          HG12      VAL  65  16.749  19.102  -3.874
  487   3HG1  VAL  65          HG13      VAL  65  16.460  19.036  -2.126
  488   1HG2  VAL  65          HG21      VAL  65  14.497  20.393  -2.549
  489   2HG2  VAL  65          HG22      VAL  65  14.596  20.311  -4.319
  490   3HG2  VAL  65          HG23      VAL  65  13.120  19.788  -3.477
  491    H    SER  66           H        SER  66  16.320  16.443  -5.891
  492    HA   SER  66           HA       SER  66  15.723  13.708  -5.741
  493   1HB   SER  66          HB2       SER  66  18.374  15.137  -6.195
  494   2HB   SER  66          HB3       SER  66  17.967  13.500  -6.741
  495    HG   SER  66           HG       SER  66  17.738  15.233  -8.326
  496    H    SER  67           H        SER  67  17.319  12.045  -4.999
  497    HA   SER  67           HA       SER  67  19.165  12.520  -2.861
  498   1HB   SER  67          HB2       SER  67  16.572  10.987  -2.334
  499   2HB   SER  67          HB3       SER  67  18.030  10.814  -1.341
  500    HG   SER  67           HG       SER  67  17.060  13.389  -1.867
  501    HA   PRO  68           HA       PRO  68  20.539   8.840  -5.091
  502   1HB   PRO  68          HB2       PRO  68  22.176   7.586  -3.288
  503   2HB   PRO  68          HB3       PRO  68  22.630   9.097  -4.121
  504   1HG   PRO  68          HG2       PRO  68  21.458   8.781  -1.344
  505   2HG   PRO  68          HG3       PRO  68  22.856   9.784  -1.850
  506   1HD   PRO  68          HD2       PRO  68  20.352  10.823  -1.525
  507   2HD   PRO  68          HD3       PRO  68  21.454  11.414  -2.808
  508    H    LEU  69           H        LEU  69  20.072   6.604  -5.212
  509    HA   LEU  69           HA       LEU  69  18.000   5.550  -3.372
  510   1HB   LEU  69          HB2       LEU  69  17.765   5.091  -5.777
  511   2HB   LEU  69          HB3       LEU  69  19.375   4.389  -5.843
  512    HG   LEU  69           HG       LEU  69  18.722   2.484  -4.576
  513   1HD1  LEU  69          HD11      LEU  69  16.075   3.893  -4.053
  514   2HD1  LEU  69          HD12      LEU  69  16.343   2.161  -3.757
  515   3HD1  LEU  69          HD13      LEU  69  17.252   3.350  -2.837
  516   1HD2  LEU  69          HD21      LEU  69  16.456   3.097  -6.504
  517   2HD2  LEU  69          HD22      LEU  69  18.076   2.514  -6.952
  518   3HD2  LEU  69          HD23      LEU  69  17.008   1.489  -5.985
  519    H    THR  70           H        THR  70  18.702   4.830  -1.447
  520    HA   THR  70           HA       THR  70  21.226   3.317  -1.291
  521    HB   THR  70           HB       THR  70  21.313   4.414   1.074
  522    HG1  THR  70           HG1      THR  70  20.365   6.420   1.195
  523   1HG2  THR  70          HG21      THR  70  22.942   4.773  -0.744
  524   2HG2  THR  70          HG22      THR  70  21.911   6.044  -1.433
  525   3HG2  THR  70          HG23      THR  70  22.654   6.265   0.171
  526    H    GLU  71           H        GLU  71  21.274   2.036   0.831
  527    HA   GLU  71           HA       GLU  71  19.435   0.113   0.048
  528   1HB   GLU  71          HB2       GLU  71  21.778  -0.203   0.930
  529   2HB   GLU  71          HB3       GLU  71  21.156   0.059   2.565
  530   1HG   GLU  71          HG2       GLU  71  19.666  -1.924   2.293
  531   2HG   GLU  71          HG3       GLU  71  20.270  -2.150   0.649
  532    H    GLU  72           H        GLU  72  19.353   2.262   2.862
  533    HA   GLU  72           HA       GLU  72  17.277   0.911   4.253
  534   1HB   GLU  72          HB2       GLU  72  17.005   3.019   5.495
  535   2HB   GLU  72          HB3       GLU  72  18.690   2.507   5.380
  536   1HG   GLU  72          HG2       GLU  72  19.045   4.172   3.538
  537   2HG   GLU  72          HG3       GLU  72  17.377   4.715   3.735
  538    H    LEU  73           H        LEU  73  17.193   3.312   1.640
  539    HA   LEU  73           HA       LEU  73  14.347   3.702   1.789
  540   1HB   LEU  73          HB2       LEU  73  15.877   5.366   0.756
  541   2HB   LEU  73          HB3       LEU  73  16.302   4.181  -0.490
  542    HG   LEU  73           HG       LEU  73  13.994   4.166  -1.295
  543   1HD1  LEU  73          HD11      LEU  73  13.431   6.342   0.737
  544   2HD1  LEU  73          HD12      LEU  73  12.374   5.895  -0.625
  545   3HD1  LEU  73          HD13      LEU  73  12.683   4.725   0.653
  546   1HD2  LEU  73          HD21      LEU  73  15.650   5.697  -2.287
  547   2HD2  LEU  73          HD22      LEU  73  14.015   6.364  -2.368
  548   3HD2  LEU  73          HD23      LEU  73  15.161   6.966  -1.147
  549    H    MET  74           H        MET  74  16.563   1.632  -0.044
  550    HA   MET  74           HA       MET  74  14.682   0.313  -1.682
  551   1HB   MET  74          HB2       MET  74  16.797  -0.053  -2.389
  552   2HB   MET  74          HB3       MET  74  17.470  -0.130  -0.780
  553   1HG   MET  74          HG2       MET  74  17.773  -2.249  -1.826
  554   2HG   MET  74          HG3       MET  74  16.675  -2.409  -0.473
  555   1HE   MET  74          HE1       MET  74  16.261  -1.375  -4.335
  556   2HE   MET  74          HE2       MET  74  17.235  -2.864  -4.292
  557   3HE   MET  74          HE3       MET  74  15.590  -2.900  -4.957
  558    H    GLU  75           H        GLU  75  15.805  -0.458   1.619
  559    HA   GLU  75           HA       GLU  75  14.185  -2.824   1.899
  560   1HB   GLU  75          HB2       GLU  75  15.575  -0.993   3.893
  561   2HB   GLU  75          HB3       GLU  75  14.604  -2.381   4.393
  562   1HG   GLU  75          HG2       GLU  75  16.014  -3.881   3.002
  563   2HG   GLU  75          HG3       GLU  75  17.065  -2.529   2.602
  564    H    SER  76           H        SER  76  13.616   0.641   2.587
  565    HA   SER  76           HA       SER  76  11.173   0.261   4.029
  566   1HB   SER  76          HB2       SER  76  12.126   2.660   2.407
  567   2HB   SER  76          HB3       SER  76  10.816   2.654   3.598
  568    HG   SER  76           HG       SER  76  13.585   2.153   4.036
  569    H    ALA  77           H        ALA  77  11.864   0.650   0.514
  570    HA   ALA  77           HA       ALA  77   9.024   0.866  -0.088
  571   1HB   ALA  77          HB1       ALA  77  10.740   2.103  -1.345
  572   2HB   ALA  77          HB2       ALA  77  11.354   0.554  -2.002
  573   3HB   ALA  77          HB3       ALA  77   9.704   1.123  -2.377
  574    H    ASP  78           H        ASP  78   8.237  -0.509  -2.069
  575    HA   ASP  78           HA       ASP  78   8.725  -3.384  -1.501
  576   1HB   ASP  78          HB2       ASP  78   6.701  -2.443  -0.351
  577   2HB   ASP  78          HB3       ASP  78   6.039  -2.052  -1.941
  578    H    LEU  79           H        LEU  79   8.356  -0.902  -3.915
  579    HA   LEU  79           HA       LEU  79   8.883  -2.931  -5.987
  580   1HB   LEU  79          HB2       LEU  79   6.421  -2.219  -6.057
  581   2HB   LEU  79          HB3       LEU  79   6.973  -0.571  -6.274
  582    HG   LEU  79           HG       LEU  79   8.095  -1.253  -8.425
  583   1HD1  LEU  79          HD11      LEU  79   6.636  -3.887  -7.918
  584   2HD1  LEU  79          HD12      LEU  79   7.410  -3.416  -9.446
  585   3HD1  LEU  79          HD13      LEU  79   8.399  -3.671  -8.005
  586   1HD2  LEU  79          HD21      LEU  79   5.136  -1.955  -8.394
  587   2HD2  LEU  79          HD22      LEU  79   5.769  -0.299  -8.386
  588   3HD2  LEU  79          HD23      LEU  79   6.096  -1.362  -9.759
  589    H    VAL  80           H        VAL  80  10.381  -2.152  -7.523
  590    HA   VAL  80           HA       VAL  80  11.148   0.700  -7.358
  591    HB   VAL  80           HB       VAL  80  13.058  -1.659  -7.446
  592   1HG1  VAL  80          HG11      VAL  80  14.850   0.063  -7.303
  593   2HG1  VAL  80          HG12      VAL  80  13.911   0.243  -8.788
  594   3HG1  VAL  80          HG13      VAL  80  13.628   1.343  -7.426
  595   1HG2  VAL  80          HG21      VAL  80  12.512   0.385  -5.267
  596   2HG2  VAL  80          HG22      VAL  80  12.251  -1.355  -5.169
  597   3HG2  VAL  80          HG23      VAL  80  13.899  -0.730  -5.263
  598    H    LEU  81           H        LEU  81  11.430   1.608  -9.337
  599    HA   LEU  81           HA       LEU  81  10.822  -0.078 -11.679
  600   1HB   LEU  81          HB2       LEU  81   9.057   1.658 -10.259
  601   2HB   LEU  81          HB3       LEU  81   9.454   2.487 -11.754
  602    HG   LEU  81           HG       LEU  81   8.513  -0.440 -11.659
  603   1HD1  LEU  81          HD11      LEU  81   6.326   0.454 -12.390
  604   2HD1  LEU  81          HD12      LEU  81   6.749   1.074 -10.787
  605   3HD1  LEU  81          HD13      LEU  81   6.942   2.115 -12.214
  606   1HD2  LEU  81          HD21      LEU  81   8.026   0.025 -14.058
  607   2HD2  LEU  81          HD22      LEU  81   8.837   1.595 -13.858
  608   3HD2  LEU  81          HD23      LEU  81   9.747   0.080 -13.665
  609    H    ALA  82           H        ALA  82  12.694   0.057 -12.746
  610    HA   ALA  82           HA       ALA  82  14.321   2.500 -12.541
  611   1HB   ALA  82          HB1       ALA  82  15.219   0.323 -11.656
  612   2HB   ALA  82          HB2       ALA  82  15.087  -0.362 -13.293
  613   3HB   ALA  82          HB3       ALA  82  16.191   0.987 -12.968
  614    H    MET  83           H        MET  83  15.194   3.459 -14.388
  615    HA   MET  83           HA       MET  83  13.498   3.252 -16.648
  616   1HB   MET  83          HB2       MET  83  16.118   4.767 -16.376
  617   2HB   MET  83          HB3       MET  83  14.942   4.959 -17.688
  618   1HG   MET  83          HG2       MET  83  14.653   5.656 -14.778
  619   2HG   MET  83          HG3       MET  83  14.445   6.698 -16.178
  620   1HE   MET  83          HE1       MET  83  10.912   6.418 -14.184
  621   2HE   MET  83          HE2       MET  83  12.467   6.076 -13.386
  622   3HE   MET  83          HE3       MET  83  12.305   7.495 -14.454
  623    H    THR  84           H        THR  84  16.499   1.413 -16.166
  624    HA   THR  84           HA       THR  84  15.832   0.059 -18.667
  625    HB   THR  84           HB       THR  84  18.088   0.088 -19.574
  626    HG1  THR  84           HG1      THR  84  19.664   1.409 -18.689
  627   1HG2  THR  84          HG21      THR  84  16.613   1.909 -20.378
  628   2HG2  THR  84          HG22      THR  84  17.289   2.987 -19.129
  629   3HG2  THR  84          HG23      THR  84  18.328   2.334 -20.409
  630    H    HIS  85           H        HIS  85  17.253  -1.939 -18.931
  631    HA   HIS  85           HA       HIS  85  17.434  -3.457 -16.545
  632   1HB   HIS  85          HB2       HIS  85  18.519  -5.143 -17.821
  633   2HB   HIS  85          HB3       HIS  85  17.249  -4.456 -18.818
  634    HD1  HIS  85           HD1      HIS  85  21.134  -4.388 -18.517
  635    HD2  HIS  85           HD2      HIS  85  17.989  -3.700 -21.235
  636    HE1  HIS  85           HE1      HIS  85  22.213  -3.966 -20.777
  637    H    GLN  86           H        GLN  86  19.778  -1.405 -18.249
  638    HA   GLN  86           HA       GLN  86  22.000  -2.195 -16.695
  639   1HB   GLN  86          HB2       GLN  86  22.236  -0.969 -18.820
  640   2HB   GLN  86          HB3       GLN  86  21.498   0.462 -18.094
  641   1HG   GLN  86          HG2       GLN  86  23.909   0.724 -18.216
  642   2HG   GLN  86          HG3       GLN  86  23.395   0.697 -16.539
  643   1HE2  GLN  86          HE22      GLN  86  23.857  -1.274 -15.246
  644   2HE2  GLN  86          HE21      GLN  86  25.169  -2.329 -15.741
  645    H    HIS  87           H        HIS  87  19.526   0.330 -16.115
  646    HA   HIS  87           HA       HIS  87  20.670   1.255 -13.665
  647   1HB   HIS  87          HB2       HIS  87  17.775   1.183 -14.582
  648   2HB   HIS  87          HB3       HIS  87  18.312   1.891 -13.064
  649    HD1  HIS  87           HD1      HIS  87  18.765   2.544 -16.868
  650    HD2  HIS  87           HD2      HIS  87  19.149   4.333 -13.077
  651    HE1  HIS  87           HE1      HIS  87  19.144   5.025 -17.279
  652    H    LYS  88           H        LYS  88  18.322  -1.360 -14.359
  653    HA   LYS  88           HA       LYS  88  17.966  -2.154 -11.660
  654   1HB   LYS  88          HB2       LYS  88  16.488  -2.890 -13.457
  655   2HB   LYS  88          HB3       LYS  88  17.788  -3.828 -14.204
  656   1HG   LYS  88          HG2       LYS  88  17.838  -5.405 -12.392
  657   2HG   LYS  88          HG3       LYS  88  16.849  -4.367 -11.373
  658   1HD   LYS  88          HD2       LYS  88  15.496  -6.194 -12.146
  659   2HD   LYS  88          HD3       LYS  88  14.906  -4.713 -12.911
  660   1HE   LYS  88          HE2       LYS  88  16.080  -5.295 -15.007
  661   2HE   LYS  88          HE3       LYS  88  16.788  -6.721 -14.233
  662   1HZ   LYS  88          HZ1       LYS  88  14.878  -7.345 -15.535
  663   2HZ   LYS  88          HZ2       LYS  88  14.509  -7.586 -13.966
  664   3HZ   LYS  88          HZ3       LYS  88  13.890  -6.304 -14.794
  665    H    GLN  89           H        GLN  89  20.460  -3.148 -13.983
  666    HA   GLN  89           HA       GLN  89  21.677  -5.027 -12.209
  667   1HB   GLN  89          HB2       GLN  89  22.675  -3.553 -14.690
  668   2HB   GLN  89          HB3       GLN  89  23.657  -4.751 -13.843
  669   1HG   GLN  89          HG2       GLN  89  22.088  -6.520 -14.302
  670   2HG   GLN  89          HG3       GLN  89  20.888  -5.402 -14.935
  671   1HE2  GLN  89          HE22      GLN  89  23.757  -7.255 -15.729
  672   2HE2  GLN  89          HE21      GLN  89  23.866  -6.743 -17.393
  673    H    ILE  90           H        ILE  90  22.194  -1.505 -12.710
  674    HA   ILE  90           HA       ILE  90  24.525  -1.401 -11.046
  675    HB   ILE  90           HB       ILE  90  22.495   0.759 -11.715
  676   1HG1  ILE  90          HG12      ILE  90  25.391   0.591 -12.658
  677   2HG1  ILE  90          HG13      ILE  90  24.124  -0.243 -13.528
  678   1HG2  ILE  90          HG21      ILE  90  24.215   2.381 -10.849
  679   2HG2  ILE  90          HG22      ILE  90  23.589   1.349  -9.572
  680   3HG2  ILE  90          HG23      ILE  90  25.182   1.015 -10.270
  681   1HD1  ILE  90          HD11      ILE  90  24.232   2.763 -13.036
  682   2HD1  ILE  90          HD12      ILE  90  24.498   1.915 -14.567
  683   3HD1  ILE  90          HD13      ILE  90  22.887   1.911 -13.818
  684    H    ILE  91           H        ILE  91  21.040  -1.056 -10.369
  685    HA   ILE  91           HA       ILE  91  21.234  -0.550  -7.595
  686    HB   ILE  91           HB       ILE  91  19.073  -1.926  -9.239
  687   1HG1  ILE  91          HG12      ILE  91  19.152   0.879  -8.051
  688   2HG1  ILE  91          HG13      ILE  91  19.711   0.533  -9.671
  689   1HG2  ILE  91          HG21      ILE  91  18.805  -2.608  -6.870
  690   2HG2  ILE  91          HG22      ILE  91  18.900  -0.900  -6.378
  691   3HG2  ILE  91          HG23      ILE  91  17.534  -1.486  -7.340
  692   1HD1  ILE  91          HD11      ILE  91  17.499   1.352  -9.863
  693   2HD1  ILE  91          HD12      ILE  91  17.476  -0.368 -10.279
  694   3HD1  ILE  91          HD13      ILE  91  16.870   0.176  -8.694
  695    H    ALA  92           H        ALA  92  21.057  -3.624  -9.376
  696    HA   ALA  92           HA       ALA  92  21.253  -5.351  -7.173
  697   1HB   ALA  92          HB1       ALA  92  20.758  -5.946  -9.626
  698   2HB   ALA  92          HB2       ALA  92  22.496  -5.854  -9.921
  699   3HB   ALA  92          HB3       ALA  92  21.876  -7.056  -8.791
  700    H    SER  93           H        SER  93  23.816  -3.795  -9.076
  701    HA   SER  93           HA       SER  93  25.980  -5.197  -7.852
  702   1HB   SER  93          HB2       SER  93  25.985  -2.518  -9.308
  703   2HB   SER  93          HB3       SER  93  27.395  -3.538  -8.982
  704    HG   SER  93           HG       SER  93  25.142  -4.143 -10.618
  705    H    GLN  94           H        GLN  94  24.323  -2.146  -7.001
  706    HA   GLN  94           HA       GLN  94  26.402  -1.519  -5.036
  707   1HB   GLN  94          HB2       GLN  94  25.061   0.389  -4.400
  708   2HB   GLN  94          HB3       GLN  94  25.396   0.344  -6.129
  709   1HG   GLN  94          HG2       GLN  94  23.120  -0.275  -6.625
  710   2HG   GLN  94          HG3       GLN  94  22.750  -0.549  -4.925
  711   1HE2  GLN  94          HE22      GLN  94  21.271   0.991  -4.402
  712   2HE2  GLN  94          HE21      GLN  94  21.518   2.709  -4.576
  713    H    PHE  95           H        PHE  95  23.150  -3.018  -4.975
  714    HA   PHE  95           HA       PHE  95  23.272  -3.046  -2.017
  715   1HB   PHE  95          HB2       PHE  95  21.136  -3.816  -4.009
  716   2HB   PHE  95          HB3       PHE  95  20.938  -3.890  -2.260
  717    HD1  PHE  95           HD1      PHE  95  19.336  -2.321  -4.400
  718    HD2  PHE  95           HD2      PHE  95  22.439  -1.142  -1.639
  719    HE1  PHE  95           HE1      PHE  95  18.334  -0.056  -4.204
  720    HE2  PHE  95           HE2      PHE  95  21.506   1.085  -1.529
  721    HZ   PHE  95           HZ       PHE  95  19.368   1.627  -2.690
  722    H    GLY  96           H        GLY  96  24.070  -5.347  -4.510
  723   1HA   GLY  96          HA2       GLY  96  24.958  -7.484  -4.090
  724   2HA   GLY  96          HA3       GLY  96  24.352  -7.449  -2.429
  725    H    ARG  97           H        ARG  97  22.986  -7.092  -5.696
  726    HA   ARG  97           HA       ARG  97  21.138  -7.793  -6.703
  727   1HB   ARG  97          HB2       ARG  97  22.789  -9.741  -6.706
  728   2HB   ARG  97          HB3       ARG  97  21.694 -10.549  -5.579
  729   1HG   ARG  97          HG2       ARG  97  19.856 -10.384  -7.227
  730   2HG   ARG  97          HG3       ARG  97  20.873  -9.429  -8.308
  731   1HD   ARG  97          HD2       ARG  97  21.398 -12.316  -7.521
  732   2HD   ARG  97          HD3       ARG  97  20.598 -11.766  -9.010
  733    HE   ARG  97           HE       ARG  97  23.123 -10.472  -8.776
  734   1HH1  ARG  97          HH21      ARG  97  21.789 -13.689  -9.471
  735   2HH1  ARG  97          HH22      ARG  97  23.110 -14.179 -10.464
  736   1HH2  ARG  97          HH11      ARG  97  24.889 -11.126 -10.100
  737   2HH2  ARG  97          HH12      ARG  97  24.909 -12.687 -10.826
  738    H    TYR  98           H        TYR  98  20.279  -6.413  -4.635
  739    HA   TYR  98           HA       TYR  98  17.907  -7.729  -3.493
  740   1HB   TYR  98          HB2       TYR  98  18.976  -4.896  -3.596
  741   2HB   TYR  98          HB3       TYR  98  17.308  -5.184  -3.195
  742    HD1  TYR  98           HD1      TYR  98  20.583  -6.769  -2.091
  743    HD2  TYR  98           HD2      TYR  98  16.796  -5.021  -0.978
  744    HE1  TYR  98           HE1      TYR  98  21.146  -7.079   0.281
  745    HE2  TYR  98           HE2      TYR  98  17.358  -5.321   1.408
  746    HH   TYR  98           HH       TYR  98  20.457  -6.789   2.493
  747    H    ARG  99           H        ARG  99  18.627  -7.447  -6.623
  748    HA   ARG  99           HA       ARG  99  16.770  -5.623  -7.665
  749   1HB   ARG  99          HB2       ARG  99  17.408  -6.337  -9.821
  750   2HB   ARG  99          HB3       ARG  99  18.828  -6.413  -8.791
  751   1HG   ARG  99          HG2       ARG  99  18.394  -8.920  -8.559
  752   2HG   ARG  99          HG3       ARG  99  17.122  -8.730  -9.781
  753   1HD   ARG  99          HD2       ARG  99  18.851  -7.864 -11.373
  754   2HD   ARG  99          HD3       ARG  99  20.088  -8.218 -10.143
  755    HE   ARG  99           HE       ARG  99  18.371 -10.478 -10.769
  756   1HH1  ARG  99          HH21      ARG  99  21.305  -8.770 -11.820
  757   2HH1  ARG  99          HH22      ARG  99  21.996 -10.147 -12.590
  758   1HH2  ARG  99          HH11      ARG  99  19.289 -12.306 -11.804
  759   2HH2  ARG  99          HH12      ARG  99  20.820 -12.198 -12.582
  760    H    ASP 100           H        ASP 100  15.909  -8.531  -6.231
  761    HA   ASP 100           HA       ASP 100  14.003  -9.665  -7.932
  762   1HB   ASP 100          HB2       ASP 100  14.746 -10.704  -5.855
  763   2HB   ASP 100          HB3       ASP 100  14.001  -9.414  -4.904
  764    H    LYS 101           H        LYS 101  13.617  -6.783  -5.798
  765    HA   LYS 101           HA       LYS 101  10.783  -6.601  -6.583
  766   1HB   LYS 101          HB2       LYS 101  10.515  -4.916  -4.971
  767   2HB   LYS 101          HB3       LYS 101  11.442  -6.214  -4.228
  768   1HG   LYS 101          HG2       LYS 101  13.518  -4.874  -4.442
  769   2HG   LYS 101          HG3       LYS 101  12.642  -3.629  -5.330
  770   1HD   LYS 101          HD2       LYS 101  12.833  -2.804  -3.124
  771   2HD   LYS 101          HD3       LYS 101  11.152  -3.301  -3.297
  772   1HE   LYS 101          HE2       LYS 101  11.597  -5.393  -2.079
  773   2HE   LYS 101          HE3       LYS 101  13.333  -5.047  -2.065
  774   1HZ   LYS 101          HZ1       LYS 101  12.333  -4.485   0.046
  775   2HZ   LYS 101          HZ2       LYS 101  12.870  -3.105  -0.671
  776   3HZ   LYS 101          HZ3       LYS 101  11.284  -3.431  -0.638
  777    H    VAL 102           H        VAL 102  13.464  -5.839  -8.284
  778    HA   VAL 102           HA       VAL 102  12.594  -3.136  -9.067
  779    HB   VAL 102           HB       VAL 102  15.093  -4.632  -9.912
  780   1HG1  VAL 102          HG11      VAL 102  14.289  -1.689 -10.068
  781   2HG1  VAL 102          HG12      VAL 102  15.902  -2.309 -10.460
  782   3HG1  VAL 102          HG13      VAL 102  14.513  -2.795 -11.432
  783   1HG2  VAL 102          HG21      VAL 102  15.128  -4.184  -7.400
  784   2HG2  VAL 102          HG22      VAL 102  16.422  -3.439  -8.348
  785   3HG2  VAL 102          HG23      VAL 102  15.064  -2.459  -7.786
  786    H    PHE 103           H        PHE 103  11.769  -2.782 -11.122
  787    HA   PHE 103           HA       PHE 103  12.009  -4.857 -13.207
  788   1HB   PHE 103          HB2       PHE 103   9.437  -3.414 -12.436
  789   2HB   PHE 103          HB3       PHE 103   9.664  -4.378 -13.890
  790    HD1  PHE 103           HD1      PHE 103   9.563  -6.806 -13.837
  791    HD2  PHE 103           HD2      PHE 103   9.379  -4.522 -10.182
  792    HE1  PHE 103           HE1      PHE 103   8.806  -8.825 -12.607
  793    HE2  PHE 103           HE2      PHE 103   8.619  -6.541  -8.957
  794    HZ   PHE 103           HZ       PHE 103   8.331  -8.698 -10.167
  795    H    THR 104           H        THR 104  12.036  -3.837 -15.328
  796    HA   THR 104           HA       THR 104  12.816  -1.046 -15.111
  797    HB   THR 104           HB       THR 104  13.657  -1.013 -17.200
  798    HG1  THR 104           HG1      THR 104  12.986  -2.098 -18.878
  799   1HG2  THR 104          HG21      THR 104  13.941  -3.960 -16.484
  800   2HG2  THR 104          HG22      THR 104  15.028  -2.992 -17.477
  801   3HG2  THR 104          HG23      THR 104  14.876  -2.631 -15.750
  802    H    LEU 105           H        LEU 105  11.939   0.657 -16.485
  803    HA   LEU 105           HA       LEU 105   9.292   1.020 -15.827
  804   1HB   LEU 105          HB2       LEU 105  10.863   2.867 -16.130
  805   2HB   LEU 105          HB3       LEU 105  10.846   2.599 -17.882
  806    HG   LEU 105           HG       LEU 105   8.473   3.164 -17.969
  807   1HD1  LEU 105          HD11      LEU 105   7.607   2.468 -15.765
  808   2HD1  LEU 105          HD12      LEU 105   8.688   3.628 -14.948
  809   3HD1  LEU 105          HD13      LEU 105   7.338   4.196 -15.937
  810   1HD2  LEU 105          HD21      LEU 105   9.865   5.313 -16.361
  811   2HD2  LEU 105          HD22      LEU 105  10.207   4.981 -18.078
  812   3HD2  LEU 105          HD23      LEU 105   8.593   5.519 -17.556
  813    H    LYS 106           H        LYS 106  10.437  -0.059 -19.067
  814    HA   LYS 106           HA       LYS 106   7.592  -0.364 -19.854
  815   1HB   LYS 106          HB2       LYS 106  10.198  -0.688 -21.252
  816   2HB   LYS 106          HB3       LYS 106   8.950  -1.835 -21.698
  817   1HG   LYS 106          HG2       LYS 106   8.894   0.088 -23.184
  818   2HG   LYS 106          HG3       LYS 106   7.389  -0.086 -22.280
  819   1HD   LYS 106          HD2       LYS 106   8.125   1.716 -20.721
  820   2HD   LYS 106          HD3       LYS 106   9.601   1.918 -21.654
  821   1HE   LYS 106          HE2       LYS 106   6.758   2.272 -22.742
  822   2HE   LYS 106          HE3       LYS 106   7.743   3.581 -22.101
  823   1HZ   LYS 106          HZ1       LYS 106   9.379   3.095 -23.885
  824   2HZ   LYS 106          HZ2       LYS 106   8.299   2.041 -24.556
  825   3HZ   LYS 106          HZ3       LYS 106   7.935   3.641 -24.406
  826    H    GLU 107           H        GLU 107  10.281  -2.497 -18.693
  827    HA   GLU 107           HA       GLU 107   9.095  -4.922 -19.258
  828   1HB   GLU 107          HB2       GLU 107  11.371  -4.701 -18.511
  829   2HB   GLU 107          HB3       GLU 107  10.835  -4.066 -16.945
  830   1HG   GLU 107          HG2       GLU 107   9.864  -6.277 -16.384
  831   2HG   GLU 107          HG3       GLU 107  10.436  -6.903 -17.941
  832    H    TYR 108           H        TYR 108   8.495  -2.905 -16.352
  833    HA   TYR 108           HA       TYR 108   6.910  -4.759 -14.935
  834   1HB   TYR 108          HB2       TYR 108   7.890  -2.625 -14.061
  835   2HB   TYR 108          HB3       TYR 108   6.711  -1.723 -15.000
  836    HD1  TYR 108           HD1      TYR 108   4.598  -1.202 -14.037
  837    HD2  TYR 108           HD2      TYR 108   6.976  -4.374 -12.338
  838    HE1  TYR 108           HE1      TYR 108   2.932  -1.476 -12.233
  839    HE2  TYR 108           HE2      TYR 108   5.339  -4.625 -10.504
  840    HH   TYR 108           HH       TYR 108   2.346  -2.648 -10.319
  841    H    VAL 109           H        VAL 109   6.108  -2.950 -17.791
  842    HA   VAL 109           HA       VAL 109   3.184  -3.311 -17.360
  843    HB   VAL 109           HB       VAL 109   4.632  -1.297 -19.122
  844   1HG1  VAL 109          HG11      VAL 109   2.262  -1.636 -19.699
  845   2HG1  VAL 109          HG12      VAL 109   1.799  -1.381 -18.002
  846   3HG1  VAL 109          HG13      VAL 109   2.496  -0.049 -18.954
  847   1HG2  VAL 109          HG21      VAL 109   4.118   0.350 -17.296
  848   2HG2  VAL 109          HG22      VAL 109   3.705  -1.020 -16.238
  849   3HG2  VAL 109          HG23      VAL 109   5.360  -0.806 -16.862
  850    H    THR 110           H        THR 110   5.669  -3.326 -20.048
  851    HA   THR 110           HA       THR 110   3.725  -4.557 -21.853
  852    HB   THR 110           HB       THR 110   5.589  -4.346 -23.468
  853    HG1  THR 110           HG1      THR 110   7.538  -3.472 -22.755
  854   1HG2  THR 110          HG21      THR 110   4.134  -2.343 -22.991
  855   2HG2  THR 110          HG22      THR 110   5.339  -1.783 -21.808
  856   3HG2  THR 110          HG23      THR 110   5.769  -1.920 -23.525
  857    H    GLY 111           H        GLY 111   6.165  -5.604 -19.617
  858   1HA   GLY 111          HA2       GLY 111   6.877  -7.735 -19.059
  859   2HA   GLY 111          HA3       GLY 111   5.965  -8.421 -20.410
  860    H    SER 112           H        SER 112   7.961  -5.709 -21.359
  861    HA   SER 112           HA       SER 112  10.220  -7.442 -22.180
  862   1HB   SER 112          HB2       SER 112   8.631  -5.571 -23.993
  863   2HB   SER 112          HB3       SER 112  10.056  -6.519 -24.452
  864    HG   SER 112           HG       SER 112   8.088  -7.516 -25.086
  865    H    HIS 113           H        HIS 113  12.168  -6.253 -22.591
  866    HA   HIS 113           HA       HIS 113  12.516  -3.989 -20.912
  867   1HB   HIS 113          HB2       HIS 113  14.357  -5.540 -21.501
  868   2HB   HIS 113          HB3       HIS 113  14.307  -4.968 -23.176
  869    HD1  HIS 113           HD1      HIS 113  15.693  -2.728 -23.646
  870    HD2  HIS 113           HD2      HIS 113  14.911  -3.540 -19.597
  871    HE1  HIS 113           HE1      HIS 113  16.838  -0.886 -22.316
  872    H    GLY 114           H        GLY 114  12.899  -1.805 -21.405
  873   1HA   GLY 114          HA2       GLY 114  13.227  -0.531 -23.783
  874   2HA   GLY 114          HA3       GLY 114  11.462  -0.569 -23.562
  875    H    ASP 115           H        ASP 115  12.285   1.893 -23.492
  876    HA   ASP 115           HA       ASP 115  11.939   2.672 -20.699
  877   1HB   ASP 115          HB2       ASP 115  14.421   2.815 -21.130
  878   2HB   ASP 115          HB3       ASP 115  14.086   3.937 -22.445
  879    H    VAL 116           H        VAL 116  11.228   4.995 -20.688
  880    HA   VAL 116           HA       VAL 116   9.404   5.662 -22.925
  881    HB   VAL 116           HB       VAL 116  10.040   6.871 -20.200
  882   1HG1  VAL 116          HG11      VAL 116   7.842   7.797 -22.084
  883   2HG1  VAL 116          HG12      VAL 116   8.073   8.318 -20.415
  884   3HG1  VAL 116          HG13      VAL 116   9.279   8.725 -21.625
  885   1HG2  VAL 116          HG21      VAL 116   7.567   5.416 -21.218
  886   2HG2  VAL 116          HG22      VAL 116   8.784   4.753 -20.093
  887   3HG2  VAL 116          HG23      VAL 116   7.769   6.110 -19.606
  888    H    LEU 117           H        LEU 117   9.663   7.962 -23.842
  889    HA   LEU 117           HA       LEU 117  12.165   8.626 -24.922
  890   1HB   LEU 117          HB2       LEU 117   9.760   9.484 -25.392
  891   2HB   LEU 117          HB3       LEU 117  10.016  10.604 -24.067
  892    HG   LEU 117           HG       LEU 117  11.538  10.457 -26.706
  893   1HD1  LEU 117          HD11      LEU 117   9.679  12.576 -25.562
  894   2HD1  LEU 117          HD12      LEU 117  10.460  12.613 -27.158
  895   3HD1  LEU 117          HD13      LEU 117   9.241  11.382 -26.804
  896   1HD2  LEU 117          HD21      LEU 117  12.568  12.636 -26.052
  897   2HD2  LEU 117          HD22      LEU 117  12.019  12.349 -24.384
  898   3HD2  LEU 117          HD23      LEU 117  13.188  11.256 -25.187
  899    H    ASP 118           H        ASP 118  13.994   9.525 -23.964
  900    HA   ASP 118           HA       ASP 118  13.894  10.501 -21.160
  901   1HB   ASP 118          HB2       ASP 118  15.663   8.965 -21.481
  902   2HB   ASP 118          HB3       ASP 118  16.185   9.761 -22.971
  903    HA   PRO 119           HA       PRO 119  13.738  14.392 -23.480
  904   1HB   PRO 119          HB2       PRO 119  12.487  15.994 -21.684
  905   2HB   PRO 119          HB3       PRO 119  11.621  14.682 -22.511
  906   1HG   PRO 119          HG2       PRO 119  12.928  14.590 -19.760
  907   2HG   PRO 119          HG3       PRO 119  11.246  14.143 -20.184
  908   1HD   PRO 119          HD2       PRO 119  13.251  12.289 -20.021
  909   2HD   PRO 119          HD3       PRO 119  11.962  12.168 -21.257
  910    H    PHE 120           H        PHE 120  15.729  13.622 -20.774
  911    HA   PHE 120           HA       PHE 120  16.254  16.147 -19.705
  912   1HB   PHE 120          HB2       PHE 120  16.917  13.994 -18.698
  913   2HB   PHE 120          HB3       PHE 120  18.168  13.797 -19.921
  914    HD1  PHE 120           HD1      PHE 120  17.042  15.921 -17.051
  915    HD2  PHE 120           HD2      PHE 120  20.298  14.933 -19.709
  916    HE1  PHE 120           HE1      PHE 120  18.599  17.229 -15.634
  917    HE2  PHE 120           HE2      PHE 120  21.849  16.251 -18.289
  918    HZ   PHE 120           HZ       PHE 120  21.004  17.401 -16.250
  919    H    GLY 121           H        GLY 121  17.037  17.929 -20.610
  920   1HA   GLY 121          HA2       GLY 121  18.706  19.249 -21.582
  921   2HA   GLY 121          HA3       GLY 121  19.349  17.850 -22.447
  922    H    GLY 122           H        GLY 122  16.026  17.670 -22.919
  923   1HA   GLY 122          HA2       GLY 122  16.184  18.763 -25.632
  924   2HA   GLY 122          HA3       GLY 122  14.867  17.851 -24.887
  925    H    SER 123           H        SER 123  13.966  19.826 -26.301
  926    HA   SER 123           HA       SER 123  13.646  22.348 -24.866
  927   1HB   SER 123          HB2       SER 123  12.083  21.196 -27.221
  928   2HB   SER 123          HB3       SER 123  12.172  22.894 -26.721
  929    HG   SER 123           HG       SER 123  13.561  22.438 -28.483
  930    H    ILE 124           H        ILE 124  11.299  23.029 -24.337
  931    HA   ILE 124           HA       ILE 124  10.091  21.292 -22.498
  932    HB   ILE 124           HB       ILE 124   9.760  23.669 -22.420
  933   1HG1  ILE 124          HG12      ILE 124   7.379  23.883 -22.038
  934   2HG1  ILE 124          HG13      ILE 124   7.035  22.428 -22.973
  935   1HG2  ILE 124          HG21      ILE 124   8.152  23.509 -25.002
  936   2HG2  ILE 124          HG22      ILE 124   8.370  24.938 -23.981
  937   3HG2  ILE 124          HG23      ILE 124   9.759  24.254 -24.820
  938   1HD1  ILE 124          HD11      ILE 124   6.980  22.127 -20.475
  939   2HD1  ILE 124          HD12      ILE 124   8.097  21.027 -21.288
  940   3HD1  ILE 124          HD13      ILE 124   8.729  22.455 -20.443
  941    H    ASP 125           H        ASP 125   9.570  21.591 -25.973
  942    HA   ASP 125           HA       ASP 125   7.226  20.066 -26.230
  943   1HB   ASP 125          HB2       ASP 125   8.192  21.344 -28.082
  944   2HB   ASP 125          HB3       ASP 125   9.590  20.262 -28.128
  945    H    ILE 126           H        ILE 126  10.578  19.013 -25.753
  946    HA   ILE 126           HA       ILE 126  10.052  16.245 -26.442
  947    HB   ILE 126           HB       ILE 126  12.393  17.333 -24.855
  948   1HG1  ILE 126          HG12      ILE 126  12.341  18.656 -26.896
  949   2HG1  ILE 126          HG13      ILE 126  13.649  17.494 -26.977
  950   1HG2  ILE 126          HG21      ILE 126  12.088  14.874 -26.634
  951   2HG2  ILE 126          HG22      ILE 126  13.568  15.369 -25.779
  952   3HG2  ILE 126          HG23      ILE 126  12.126  14.879 -24.874
  953   1HD1  ILE 126          HD11      ILE 126  12.492  17.731 -29.132
  954   2HD1  ILE 126          HD12      ILE 126  12.327  16.078 -28.525
  955   3HD1  ILE 126          HD13      ILE 126  10.964  17.215 -28.405
  956    H    TYR 127           H        TYR 127  10.106  18.183 -23.451
  957    HA   TYR 127           HA       TYR 127   9.607  15.899 -21.742
  958   1HB   TYR 127          HB2       TYR 127   9.139  18.855 -21.254
  959   2HB   TYR 127          HB3       TYR 127   8.842  17.588 -20.073
  960    HD1  TYR 127           HD1      TYR 127  11.466  19.407 -21.904
  961    HD2  TYR 127           HD2      TYR 127  10.653  16.474 -18.879
  962    HE1  TYR 127           HE1      TYR 127  13.803  19.610 -21.111
  963    HE2  TYR 127           HE2      TYR 127  12.990  16.652 -18.071
  964    HH   TYR 127           HH       TYR 127  15.313  19.018 -19.432
  965    H    LYS 128           H        LYS 128   7.604  18.172 -23.594
  966    HA   LYS 128           HA       LYS 128   5.119  17.203 -22.558
  967   1HB   LYS 128          HB2       LYS 128   4.737  19.208 -23.426
  968   2HB   LYS 128          HB3       LYS 128   5.974  19.097 -24.641
  969   1HG   LYS 128          HG2       LYS 128   3.378  17.572 -25.050
  970   2HG   LYS 128          HG3       LYS 128   3.451  19.319 -25.286
  971   1HD   LYS 128          HD2       LYS 128   5.389  18.981 -26.847
  972   2HD   LYS 128          HD3       LYS 128   5.099  17.236 -26.770
  973   1HE   LYS 128          HE2       LYS 128   2.794  17.600 -27.645
  974   2HE   LYS 128          HE3       LYS 128   3.089  19.345 -27.662
  975   1HZ   LYS 128          HZ1       LYS 128   4.443  17.326 -29.340
  976   2HZ   LYS 128          HZ2       LYS 128   3.480  18.544 -29.837
  977   3HZ   LYS 128          HZ3       LYS 128   4.968  18.875 -29.215
  978    H    GLN 129           H        GLN 129   7.069  16.120 -25.331
  979    HA   GLN 129           HA       GLN 129   5.177  14.147 -26.157
  980   1HB   GLN 129          HB2       GLN 129   8.215  14.307 -26.449
  981   2HB   GLN 129          HB3       GLN 129   7.245  13.000 -27.131
  982   1HG   GLN 129          HG2       GLN 129   5.990  14.639 -28.508
  983   2HG   GLN 129          HG3       GLN 129   6.979  15.942 -27.854
  984   1HE2  GLN 129          HE22      GLN 129   8.512  16.593 -29.399
  985   2HE2  GLN 129          HE21      GLN 129   9.401  15.467 -30.403
  986    H    THR 130           H        THR 130   7.885  14.112 -23.859
  987    HA   THR 130           HA       THR 130   7.774  11.379 -23.172
  988    HB   THR 130           HB       THR 130   8.599  13.788 -21.484
  989    HG1  THR 130           HG1      THR 130   9.799  13.669 -23.347
  990   1HG2  THR 130          HG21      THR 130   9.352  10.867 -21.162
  991   2HG2  THR 130          HG22      THR 130   9.989  12.222 -20.212
  992   3HG2  THR 130          HG23      THR 130   8.294  11.776 -20.064
  993    H    ARG 131           H        ARG 131   6.083  14.174 -21.696
  994    HA   ARG 131           HA       ARG 131   5.010  12.560 -19.607
  995   1HB   ARG 131          HB2       ARG 131   3.916  14.419 -18.795
  996   2HB   ARG 131          HB3       ARG 131   5.299  15.109 -19.637
  997   1HG   ARG 131          HG2       ARG 131   3.677  15.388 -21.639
  998   2HG   ARG 131          HG3       ARG 131   2.382  15.048 -20.498
  999   1HD   ARG 131          HD2       ARG 131   3.517  16.960 -19.083
 1000   2HD   ARG 131          HD3       ARG 131   4.295  17.396 -20.600
 1001    HE   ARG 131           HE       ARG 131   1.937  18.349 -19.813
 1002   1HH1  ARG 131          HH11      ARG 131   2.683  16.397 -22.755
 1003   2HH1  ARG 131          HH12      ARG 131   1.360  17.066 -23.625
 1004   1HH2  ARG 131          HH21      ARG 131   0.196  19.144 -21.028
 1005   2HH2  ARG 131          HH22      ARG 131  -0.023  18.666 -22.663
 1006    H    ASP 132           H        ASP 132   3.876  13.164 -22.888
 1007    HA   ASP 132           HA       ASP 132   1.232  12.134 -22.477
 1008   1HB   ASP 132          HB2       ASP 132   1.765  13.513 -24.418
 1009   2HB   ASP 132          HB3       ASP 132   2.934  12.318 -24.986
 1010    H    GLU 133           H        GLU 133   4.318  10.622 -23.506
 1011    HA   GLU 133           HA       GLU 133   3.160   8.004 -23.876
 1012   1HB   GLU 133          HB2       GLU 133   5.281   8.574 -24.945
 1013   2HB   GLU 133          HB3       GLU 133   6.031   8.910 -23.376
 1014   1HG   GLU 133          HG2       GLU 133   5.810   6.536 -22.730
 1015   2HG   GLU 133          HG3       GLU 133   4.956   6.190 -24.237
 1016    H    LEU 134           H        LEU 134   4.808   9.668 -21.251
 1017    HA   LEU 134           HA       LEU 134   4.980   7.541 -19.435
 1018   1HB   LEU 134          HB2       LEU 134   6.182   9.804 -19.429
 1019   2HB   LEU 134          HB3       LEU 134   4.690  10.501 -18.792
 1020    HG   LEU 134           HG       LEU 134   4.931   9.033 -16.779
 1021   1HD1  LEU 134          HD11      LEU 134   7.167   7.960 -16.380
 1022   2HD1  LEU 134          HD12      LEU 134   6.294   7.191 -17.708
 1023   3HD1  LEU 134          HD13      LEU 134   7.616   8.331 -18.052
 1024   1HD2  LEU 134          HD21      LEU 134   7.273  10.857 -17.504
 1025   2HD2  LEU 134          HD22      LEU 134   5.745  11.336 -16.733
 1026   3HD2  LEU 134          HD23      LEU 134   6.896  10.311 -15.866
 1027    H    GLU 135           H        GLU 135   2.367   9.941 -19.972
 1028    HA   GLU 135           HA       GLU 135   0.813   9.082 -17.756
 1029   1HB   GLU 135          HB2       GLU 135   0.405  11.215 -19.067
 1030   2HB   GLU 135          HB3       GLU 135  -0.281  10.224 -20.364
 1031   1HG   GLU 135          HG2       GLU 135  -1.927   9.287 -18.695
 1032   2HG   GLU 135          HG3       GLU 135  -1.244  10.350 -17.470
 1033    H    GLU 136           H        GLU 136   0.929   7.991 -21.157
 1034    HA   GLU 136           HA       GLU 136  -1.334   6.284 -20.914
 1035   1HB   GLU 136          HB2       GLU 136  -0.396   7.104 -23.072
 1036   2HB   GLU 136          HB3       GLU 136   1.023   6.072 -22.842
 1037   1HG   GLU 136          HG2       GLU 136  -0.413   4.058 -22.900
 1038   2HG   GLU 136          HG3       GLU 136  -1.852   5.072 -23.033
 1039    H    LEU 137           H        LEU 137   2.126   5.746 -20.399
 1040    HA   LEU 137           HA       LEU 137   1.936   2.949 -19.839
 1041   1HB   LEU 137          HB2       LEU 137   4.024   4.313 -20.432
 1042   2HB   LEU 137          HB3       LEU 137   3.933   5.002 -18.811
 1043    HG   LEU 137           HG       LEU 137   3.921   2.504 -17.997
 1044   1HD1  LEU 137          HD11      LEU 137   5.145   2.202 -20.791
 1045   2HD1  LEU 137          HD12      LEU 137   5.173   0.971 -19.517
 1046   3HD1  LEU 137          HD13      LEU 137   3.634   1.459 -20.252
 1047   1HD2  LEU 137          HD21      LEU 137   6.428   3.708 -19.208
 1048   2HD2  LEU 137          HD22      LEU 137   5.724   4.127 -17.627
 1049   3HD2  LEU 137          HD23      LEU 137   6.315   2.489 -17.908
 1050    H    LEU 138           H        LEU 138   1.826   5.861 -17.791
 1051    HA   LEU 138           HA       LEU 138   1.767   4.355 -15.353
 1052   1HB   LEU 138          HB2       LEU 138   1.257   7.265 -16.000
 1053   2HB   LEU 138          HB3       LEU 138   1.123   6.639 -14.373
 1054    HG   LEU 138           HG       LEU 138   3.667   6.496 -16.066
 1055   1HD1  LEU 138          HD11      LEU 138   2.947   8.255 -13.693
 1056   2HD1  LEU 138          HD12      LEU 138   4.506   8.216 -14.544
 1057   3HD1  LEU 138          HD13      LEU 138   3.057   8.766 -15.397
 1058   1HD2  LEU 138          HD21      LEU 138   3.744   4.678 -14.502
 1059   2HD2  LEU 138          HD22      LEU 138   4.837   5.944 -13.977
 1060   3HD2  LEU 138          HD23      LEU 138   3.281   5.751 -13.156
 1061    H    ARG 139           H        ARG 139  -0.757   5.456 -17.549
 1062    HA   ARG 139           HA       ARG 139  -2.947   4.871 -15.787
 1063   1HB   ARG 139          HB2       ARG 139  -2.669   4.887 -18.814
 1064   2HB   ARG 139          HB3       ARG 139  -4.174   4.425 -18.018
 1065   1HG   ARG 139          HG2       ARG 139  -4.402   6.593 -16.965
 1066   2HG   ARG 139          HG3       ARG 139  -2.811   7.112 -17.540
 1067   1HD   ARG 139          HD2       ARG 139  -3.565   6.887 -19.883
 1068   2HD   ARG 139          HD3       ARG 139  -5.153   6.345 -19.339
 1069    HE   ARG 139           HE       ARG 139  -3.997   9.089 -19.183
 1070   1HH1  ARG 139          HH21      ARG 139  -6.882   7.055 -18.651
 1071   2HH1  ARG 139          HH22      ARG 139  -7.934   8.410 -18.482
 1072   1HH2  ARG 139          HH11      ARG 139  -5.294  10.764 -19.006
 1073   2HH2  ARG 139          HH12      ARG 139  -7.016  10.633 -18.701
 1074    H    GLN 140           H        GLN 140  -0.944   2.824 -17.947
 1075    HA   GLN 140           HA       GLN 140  -2.464   0.467 -17.327
 1076   1HB   GLN 140          HB2       GLN 140   0.388   0.601 -18.322
 1077   2HB   GLN 140          HB3       GLN 140  -0.650  -0.835 -18.235
 1078   1HG   GLN 140          HG2       GLN 140  -2.248   0.347 -19.820
 1079   2HG   GLN 140          HG3       GLN 140  -0.991   1.569 -20.053
 1080   1HE2  GLN 140          HE22      GLN 140   1.008   0.944 -21.169
 1081   2HE2  GLN 140          HE21      GLN 140   1.118  -0.560 -22.046
 1082    H    LEU 141           H        LEU 141   0.370   2.032 -15.777
 1083    HA   LEU 141           HA       LEU 141   0.784  -0.010 -13.834
 1084   1HB   LEU 141          HB2       LEU 141   1.234   2.980 -13.716
 1085   2HB   LEU 141          HB3       LEU 141   1.174   2.081 -12.217
 1086    HG   LEU 141           HG       LEU 141   2.948   0.570 -13.040
 1087   1HD1  LEU 141          HD11      LEU 141   2.739   0.954 -15.454
 1088   2HD1  LEU 141          HD12      LEU 141   3.286   2.622 -15.263
 1089   3HD1  LEU 141          HD13      LEU 141   4.388   1.281 -14.889
 1090   1HD2  LEU 141          HD21      LEU 141   3.388   3.509 -12.561
 1091   2HD2  LEU 141          HD22      LEU 141   3.577   2.151 -11.454
 1092   3HD2  LEU 141          HD23      LEU 141   4.749   2.392 -12.761
 1093    H    ALA 142           H        ALA 142  -1.511   2.707 -13.777
 1094    HA   ALA 142           HA       ALA 142  -2.629   2.047 -11.253
 1095   1HB   ALA 142          HB1       ALA 142  -4.523   3.485 -11.937
 1096   2HB   ALA 142          HB2       ALA 142  -2.956   4.236 -12.290
 1097   3HB   ALA 142          HB3       ALA 142  -3.916   3.514 -13.602
 1098    H    LYS 143           H        LYS 143  -3.503   1.055 -14.541
 1099    HA   LYS 143           HA       LYS 143  -5.810  -0.466 -13.976
 1100   1HB   LYS 143          HB2       LYS 143  -5.038   0.187 -16.235
 1101   2HB   LYS 143          HB3       LYS 143  -3.649  -0.891 -16.072
 1102   1HG   LYS 143          HG2       LYS 143  -5.154  -2.848 -15.972
 1103   2HG   LYS 143          HG3       LYS 143  -6.545  -1.763 -16.209
 1104   1HD   LYS 143          HD2       LYS 143  -5.579  -1.018 -18.375
 1105   2HD   LYS 143          HD3       LYS 143  -4.169  -2.069 -18.119
 1106   1HE   LYS 143          HE2       LYS 143  -5.669  -4.058 -18.081
 1107   2HE   LYS 143          HE3       LYS 143  -7.071  -3.010 -18.326
 1108   1HZ   LYS 143          HZ1       LYS 143  -4.846  -3.351 -20.255
 1109   2HZ   LYS 143          HZ2       LYS 143  -6.335  -3.995 -20.396
 1110   3HZ   LYS 143          HZ3       LYS 143  -6.146  -2.381 -20.479
 1111    H    GLN 144           H        GLN 144  -2.368  -1.440 -13.956
 1112    HA   GLN 144           HA       GLN 144  -2.896  -4.160 -13.250
 1113   1HB   GLN 144          HB2       GLN 144  -0.389  -2.442 -12.976
 1114   2HB   GLN 144          HB3       GLN 144  -0.462  -4.133 -12.487
 1115   1HG   GLN 144          HG2       GLN 144  -1.266  -4.677 -14.860
 1116   2HG   GLN 144          HG3       GLN 144  -0.821  -3.034 -15.300
 1117   1HE2  GLN 144          HE22      GLN 144   1.519  -2.410 -15.042
 1118   2HE2  GLN 144          HE21      GLN 144   2.740  -3.682 -15.079
 1119    H    LEU 145           H        LEU 145  -1.876  -1.347 -11.227
 1120    HA   LEU 145           HA       LEU 145  -1.808  -2.891  -8.835
 1121   1HB   LEU 145          HB2       LEU 145  -2.000   0.116  -9.281
 1122   2HB   LEU 145          HB3       LEU 145  -1.747  -0.628  -7.703
 1123    HG   LEU 145           HG       LEU 145   0.155  -0.866 -10.075
 1124   1HD1  LEU 145          HD11      LEU 145   0.104   1.377  -9.036
 1125   2HD1  LEU 145          HD12      LEU 145   0.432   0.650  -7.448
 1126   3HD1  LEU 145          HD13      LEU 145   1.638   0.554  -8.756
 1127   1HD2  LEU 145          HD21      LEU 145   0.370  -2.874  -8.756
 1128   2HD2  LEU 145          HD22      LEU 145   1.726  -1.815  -8.365
 1129   3HD2  LEU 145          HD23      LEU 145   0.359  -1.932  -7.236
 1130    H    LYS 146           H        LYS 146  -4.490  -1.057 -10.313
 1131    HA   LYS 146           HA       LYS 146  -6.271  -1.197  -8.094
 1132   1HB   LYS 146          HB2       LYS 146  -6.534  -0.943 -11.084
 1133   2HB   LYS 146          HB3       LYS 146  -7.977  -1.409 -10.201
 1134   1HG   LYS 146          HG2       LYS 146  -6.358   1.077  -9.549
 1135   2HG   LYS 146          HG3       LYS 146  -7.728   1.042 -10.658
 1136   1HD   LYS 146          HD2       LYS 146  -9.203   0.214  -8.833
 1137   2HD   LYS 146          HD3       LYS 146  -7.847   0.328  -7.690
 1138   1HE   LYS 146          HE2       LYS 146  -7.650   2.745  -8.134
 1139   2HE   LYS 146          HE3       LYS 146  -8.938   2.652  -9.337
 1140   1HZ   LYS 146          HZ1       LYS 146  -9.727   3.476  -7.217
 1141   2HZ   LYS 146          HZ2       LYS 146 -10.481   2.069  -7.581
 1142   3HZ   LYS 146          HZ3       LYS 146  -9.300   2.093  -6.447
 1143    H    LYS 147           H        LYS 147  -5.357  -3.698 -10.510
 1144    HA   LYS 147           HA       LYS 147  -7.428  -5.531  -9.614
 1145   1HB   LYS 147          HB2       LYS 147  -6.360  -5.673 -11.855
 1146   2HB   LYS 147          HB3       LYS 147  -4.828  -6.130 -11.096
 1147   1HG   LYS 147          HG2       LYS 147  -5.893  -8.134 -10.108
 1148   2HG   LYS 147          HG3       LYS 147  -7.438  -7.691 -10.835
 1149   1HD   LYS 147          HD2       LYS 147  -4.870  -8.355 -12.343
 1150   2HD   LYS 147          HD3       LYS 147  -6.202  -9.472 -12.087
 1151   1HE   LYS 147          HE2       LYS 147  -6.388  -6.859 -13.662
 1152   2HE   LYS 147          HE3       LYS 147  -6.161  -8.458 -14.366
 1153   1HZ   LYS 147          HZ1       LYS 147  -8.310  -9.112 -13.458
 1154   2HZ   LYS 147          HZ2       LYS 147  -8.548  -7.623 -12.823
 1155   3HZ   LYS 147          HZ3       LYS 147  -8.468  -7.823 -14.436
 1156    H    ASP 148           H        ASP 148  -3.848  -5.323  -9.055
 1157    HA   ASP 148           HA       ASP 148  -4.074  -5.784  -6.251
 1158   1HB   ASP 148          HB2       ASP 148  -4.461  -8.157  -7.030
 1159   2HB   ASP 148          HB3       ASP 148  -2.927  -8.091  -7.894
 1160    H    ARG 149           H        ARG 149  -1.930  -5.584  -5.289
 1161    HA   ARG 149           HA       ARG 149   0.041  -4.201  -6.944
 1162   1HB   ARG 149          HB2       ARG 149   1.504  -4.399  -4.870
 1163   2HB   ARG 149          HB3       ARG 149   0.099  -3.362  -4.838
 1164   1HG   ARG 149          HG2       ARG 149   0.152  -4.276  -2.753
 1165   2HG   ARG 149          HG3       ARG 149  -1.147  -5.154  -3.520
 1166   1HD   ARG 149          HD2       ARG 149   1.663  -6.311  -3.438
 1167   2HD   ARG 149          HD3       ARG 149   0.653  -6.323  -1.985
 1168    HE   ARG 149           HE       ARG 149  -0.910  -7.393  -4.076
 1169   1HH1  ARG 149          HH22      ARG 149   1.965  -8.276  -2.165
 1170   2HH1  ARG 149          HH21      ARG 149   1.781  -9.969  -2.426
 1171   1HH2  ARG 149          HH12      ARG 149  -1.102  -9.595  -4.495
 1172   2HH2  ARG 149          HH11      ARG 149  -0.039 -10.751  -3.745
 1173    H    ARG 150           H        ARG 150   1.909  -5.048  -7.816
 1174    HA   ARG 150           HA       ARG 150   1.885  -7.971  -8.206
 1175   1HB   ARG 150          HB2       ARG 150   3.722  -5.801  -9.307
 1176   2HB   ARG 150          HB3       ARG 150   3.779  -7.505  -9.744
 1177   1HG   ARG 150          HG2       ARG 150   1.488  -5.571 -10.331
 1178   2HG   ARG 150          HG3       ARG 150   2.645  -6.241 -11.485
 1179   1HD   ARG 150          HD2       ARG 150   1.779  -8.544 -10.920
 1180   2HD   ARG 150          HD3       ARG 150   0.523  -7.794  -9.933
 1181    HE   ARG 150           HE       ARG 150   0.765  -7.834 -12.860
 1182   1HH1  ARG 150          HH11      ARG 150  -1.023  -6.377 -10.106
 1183   2HH1  ARG 150          HH12      ARG 150  -2.355  -5.927 -11.059
 1184   1HH2  ARG 150          HH21      ARG 150  -1.107  -7.395 -14.062
 1185   2HH2  ARG 150          HH22      ARG 150  -2.505  -6.715 -13.325
  Start of MODEL    9
    1   1H    MET   1           H1       MET   1   1.025   0.389  -0.290
    2   2H    MET   1           H2       MET   1   0.961  -1.255  -0.314
    3   3H    MET   1           H3       MET   1   2.175  -0.482   0.474
    4    HA   MET   1           HA       MET   1   3.015  -1.352  -1.568
    5   1HB   MET   1          HB2       MET   1   0.886  -1.388  -2.805
    6   2HB   MET   1          HB3       MET   1   0.851   0.377  -2.862
    7   1HG   MET   1          HG2       MET   1   1.640  -0.741  -4.969
    8   2HG   MET   1          HG3       MET   1   2.777   0.436  -4.333
    9   1HE   MET   1          HE1       MET   1   4.036  -1.214  -6.420
   10   2HE   MET   1          HE2       MET   1   4.550  -2.882  -6.056
   11   3HE   MET   1          HE3       MET   1   2.832  -2.516  -6.268
   12    H    ASP   2           H        ASP   2   4.959  -0.322  -2.104
   13    HA   ASP   2           HA       ASP   2   5.112   2.603  -1.872
   14   1HB   ASP   2          HB2       ASP   2   5.597   1.725   0.367
   15   2HB   ASP   2          HB3       ASP   2   6.852   0.690  -0.310
   16    H    ILE   3           H        ILE   3   6.344   3.366  -3.538
   17    HA   ILE   3           HA       ILE   3   7.841   1.384  -5.166
   18    HB   ILE   3           HB       ILE   3   6.126   3.670  -6.166
   19   1HG1  ILE   3          HG12      ILE   3   5.348   0.732  -6.056
   20   2HG1  ILE   3          HG13      ILE   3   4.663   2.019  -5.072
   21   1HG2  ILE   3          HG21      ILE   3   7.524   1.411  -7.637
   22   2HG2  ILE   3          HG22      ILE   3   6.336   2.502  -8.391
   23   3HG2  ILE   3          HG23      ILE   3   7.833   3.150  -7.769
   24   1HD1  ILE   3          HD11      ILE   3   3.096   1.597  -6.754
   25   2HD1  ILE   3          HD12      ILE   3   3.835   3.154  -7.161
   26   3HD1  ILE   3          HD13      ILE   3   4.294   1.678  -8.051
   27    H    ILE   4           H        ILE   4   9.804   2.095  -6.065
   28    HA   ILE   4           HA       ILE   4  10.493   4.975  -5.730
   29    HB   ILE   4           HB       ILE   4  12.450   2.660  -5.704
   30   1HG1  ILE   4          HG12      ILE   4  11.663   4.337  -3.287
   31   2HG1  ILE   4          HG13      ILE   4  10.948   2.763  -3.630
   32   1HG2  ILE   4          HG21      ILE   4  13.350   4.819  -6.560
   33   2HG2  ILE   4          HG22      ILE   4  12.808   5.636  -5.081
   34   3HG2  ILE   4          HG23      ILE   4  14.081   4.401  -5.026
   35   1HD1  ILE   4          HD11      ILE   4  12.728   2.468  -2.067
   36   2HD1  ILE   4          HD12      ILE   4  13.175   1.690  -3.583
   37   3HD1  ILE   4          HD13      ILE   4  13.898   3.249  -3.144
   38    H    PHE   5           H        PHE   5  10.341   5.901  -7.712
   39    HA   PHE   5           HA       PHE   5  10.934   4.426 -10.176
   40   1HB   PHE   5          HB2       PHE   5  10.387   7.379  -9.571
   41   2HB   PHE   5          HB3       PHE   5  10.648   6.724 -11.177
   42    HD1  PHE   5           HD1      PHE   5   8.171   7.389  -8.620
   43    HD2  PHE   5           HD2      PHE   5   9.022   4.940 -12.075
   44    HE1  PHE   5           HE1      PHE   5   5.752   6.899  -8.881
   45    HE2  PHE   5           HE2      PHE   5   6.600   4.464 -12.329
   46    HZ   PHE   5           HZ       PHE   5   4.962   5.442 -10.733
   47    H    VAL   6           H        VAL   6  13.039   4.509 -11.151
   48    HA   VAL   6           HA       VAL   6  14.955   6.378  -9.947
   49    HB   VAL   6           HB       VAL   6  15.079   4.617  -8.416
   50   1HG1  VAL   6          HG11      VAL   6  14.037   2.789  -9.678
   51   2HG1  VAL   6          HG12      VAL   6  15.529   2.625 -10.649
   52   3HG1  VAL   6          HG13      VAL   6  15.550   2.307  -8.907
   53   1HG2  VAL   6          HG21      VAL   6  17.398   3.838  -8.599
   54   2HG2  VAL   6          HG22      VAL   6  17.459   4.334 -10.293
   55   3HG2  VAL   6          HG23      VAL   6  17.237   5.543  -9.002
   56    H    CYS   7           H        CYS   7  16.476   7.129 -11.125
   57    HA   CYS   7           HA       CYS   7  17.399   5.915 -13.605
   58   1HB   CYS   7          HB2       CYS   7  15.320   7.251 -14.208
   59   2HB   CYS   7          HB3       CYS   7  16.118   8.697 -13.570
   60    HG   CYS   7           HG       CYS   7  18.150   8.676 -15.185
   61    H    THR   8           H        THR   8  19.540   6.796 -14.008
   62    HA   THR   8           HA       THR   8  20.912   7.842 -11.739
   63    HB   THR   8           HB       THR   8  21.903   7.906 -14.626
   64    HG1  THR   8           HG1      THR   8  21.227   5.833 -14.292
   65   1HG2  THR   8          HG21      THR   8  24.083   7.388 -13.510
   66   2HG2  THR   8          HG22      THR   8  23.425   8.949 -12.975
   67   3HG2  THR   8          HG23      THR   8  23.288   7.513 -11.931
   68    H    GLY   9           H        GLY   9  21.342   9.958 -11.142
   69   1HA   GLY   9          HA2       GLY   9  21.393  12.257 -11.277
   70   2HA   GLY   9          HA3       GLY   9  20.715  12.209 -12.910
   71    H    ASN  10           H        ASN  10  18.599  10.241 -11.526
   72    HA   ASN  10           HA       ASN  10  16.519  10.254 -10.798
   73   1HB   ASN  10          HB2       ASN  10  17.346  11.011  -8.665
   74   2HB   ASN  10          HB3       ASN  10  17.356  12.689  -9.195
   75   1HD2  ASN  10          HD22      ASN  10  15.655  13.843  -8.319
   76   2HD2  ASN  10          HD21      ASN  10  14.107  13.137  -7.910
   77    H    THR  11           H        THR  11  17.330  13.678 -11.560
   78    HA   THR  11           HA       THR  11  14.709  14.532 -11.968
   79    HB   THR  11           HB       THR  11  15.883  16.511 -13.006
   80    HG1  THR  11           HG1      THR  11  18.135  16.422 -13.088
   81   1HG2  THR  11          HG21      THR  11  17.139  15.408 -10.446
   82   2HG2  THR  11          HG22      THR  11  17.187  17.085 -10.978
   83   3HG2  THR  11          HG23      THR  11  15.631  16.341 -10.543
   84    H    CYS  12           H        CYS  12  16.709  12.759 -14.196
   85    HA   CYS  12           HA       CYS  12  15.930  13.694 -16.651
   86   1HB   CYS  12          HB2       CYS  12  16.381  10.775 -15.895
   87   2HB   CYS  12          HB3       CYS  12  16.568  11.487 -17.505
   88    HG   CYS  12           HG       CYS  12  18.913  10.948 -16.287
   89    H    ARG  13           H        ARG  13  14.053  11.462 -14.570
   90    HA   ARG  13           HA       ARG  13  11.645  12.277 -15.897
   91   1HB   ARG  13          HB2       ARG  13  12.703  10.362 -17.426
   92   2HB   ARG  13          HB3       ARG  13  12.068   9.295 -16.177
   93   1HG   ARG  13          HG2       ARG  13   9.793  10.458 -16.531
   94   2HG   ARG  13          HG3       ARG  13  10.529  11.269 -17.917
   95   1HD   ARG  13          HD2       ARG  13  10.112   8.279 -17.508
   96   2HD   ARG  13          HD3       ARG  13   9.273   9.323 -18.648
   97    HE   ARG  13           HE       ARG  13  11.225   9.535 -19.990
   98   1HH1  ARG  13          HH12      ARG  13  11.566   6.959 -17.493
   99   2HH1  ARG  13          HH11      ARG  13  12.446   5.944 -18.608
  100   1HH2  ARG  13          HH21      ARG  13  12.760   8.301 -21.121
  101   2HH2  ARG  13          HH22      ARG  13  13.386   6.811 -20.463
  102    H    SER  14           H        SER  14  13.245  10.108 -13.505
  103    HA   SER  14           HA       SER  14  11.154   8.852 -12.402
  104   1HB   SER  14          HB2       SER  14  13.381  10.121 -10.813
  105   2HB   SER  14          HB3       SER  14  12.469   8.653 -10.411
  106    HG   SER  14           HG       SER  14  14.586   8.409 -11.450
  107    HA   PRO  15           HA       PRO  15   9.742  12.249  -9.481
  108   1HB   PRO  15          HB2       PRO  15  10.319  14.860  -9.732
  109   2HB   PRO  15          HB3       PRO  15  11.382  13.683  -8.912
  110   1HG   PRO  15          HG2       PRO  15  11.627  14.666 -11.770
  111   2HG   PRO  15          HG3       PRO  15  12.897  14.608 -10.500
  112   1HD   PRO  15          HD2       PRO  15  12.625  12.622 -12.325
  113   2HD   PRO  15          HD3       PRO  15  13.051  12.260 -10.625
  114    H    MET  16           H        MET  16   9.859  12.932 -12.968
  115    HA   MET  16           HA       MET  16   7.333  14.306 -13.109
  116   1HB   MET  16          HB2       MET  16   8.650  12.513 -15.201
  117   2HB   MET  16          HB3       MET  16   7.277  13.562 -15.459
  118   1HG   MET  16          HG2       MET  16   8.599  15.537 -15.198
  119   2HG   MET  16          HG3       MET  16   9.974  14.622 -14.573
  120   1HE   MET  16          HE1       MET  16   8.630  14.471 -19.024
  121   2HE   MET  16          HE2       MET  16   7.767  13.542 -17.783
  122   3HE   MET  16          HE3       MET  16   7.745  15.328 -17.746
  123    H    ALA  17           H        ALA  17   8.425  10.913 -13.299
  124    HA   ALA  17           HA       ALA  17   5.838   9.839 -13.756
  125   1HB   ALA  17          HB1       ALA  17   6.860   7.660 -13.279
  126   2HB   ALA  17          HB2       ALA  17   7.994   8.627 -14.250
  127   3HB   ALA  17          HB3       ALA  17   8.248   8.436 -12.502
  128    H    GLU  18           H        GLU  18   7.650  10.432 -10.762
  129    HA   GLU  18           HA       GLU  18   5.756   9.336  -8.969
  130   1HB   GLU  18          HB2       GLU  18   7.773   9.831  -7.982
  131   2HB   GLU  18          HB3       GLU  18   7.960  11.346  -8.869
  132   1HG   GLU  18          HG2       GLU  18   6.340  12.457  -7.380
  133   2HG   GLU  18          HG3       GLU  18   6.203  10.984  -6.429
  134    H    ALA  19           H        ALA  19   5.999  12.648 -10.298
  135    HA   ALA  19           HA       ALA  19   3.783  13.581  -8.759
  136   1HB   ALA  19          HB1       ALA  19   5.540  15.034  -9.781
  137   2HB   ALA  19          HB2       ALA  19   4.903  14.653 -11.398
  138   3HB   ALA  19          HB3       ALA  19   3.916  15.554 -10.230
  139    H    LEU  20           H        LEU  20   4.056  12.308 -12.039
  140    HA   LEU  20           HA       LEU  20   1.315  12.804 -12.701
  141   1HB   LEU  20          HB2       LEU  20   3.571  12.141 -14.158
  142   2HB   LEU  20          HB3       LEU  20   2.720  10.612 -14.142
  143    HG   LEU  20           HG       LEU  20   1.783  13.290 -15.218
  144   1HD1  LEU  20          HD11      LEU  20   3.387  12.069 -16.618
  145   2HD1  LEU  20          HD12      LEU  20   2.326  10.644 -16.606
  146   3HD1  LEU  20          HD13      LEU  20   1.797  12.151 -17.382
  147   1HD2  LEU  20          HD21      LEU  20   0.209  10.699 -15.127
  148   2HD2  LEU  20          HD22      LEU  20  -0.211  12.204 -14.281
  149   3HD2  LEU  20          HD23      LEU  20  -0.251  12.156 -16.039
  150    H    PHE  21           H        PHE  21   3.069  10.003 -11.308
  151    HA   PHE  21           HA       PHE  21   0.741   8.348 -11.497
  152   1HB   PHE  21          HB2       PHE  21   3.071   7.382 -11.352
  153   2HB   PHE  21          HB3       PHE  21   3.055   7.789  -9.629
  154    HD1  PHE  21           HD1      PHE  21   1.067   6.060 -12.307
  155    HD2  PHE  21           HD2      PHE  21   1.938   6.238  -8.090
  156    HE1  PHE  21           HE1      PHE  21  -0.535   4.249 -11.917
  157    HE2  PHE  21           HE2      PHE  21   0.325   4.384  -7.711
  158    HZ   PHE  21           HZ       PHE  21  -0.967   3.441  -9.601
  159    H    LYS  22           H        LYS  22   2.029  10.532  -8.979
  160    HA   LYS  22           HA       LYS  22   0.133   9.757  -7.002
  161   1HB   LYS  22          HB2       LYS  22   1.614  12.358  -7.531
  162   2HB   LYS  22          HB3       LYS  22   0.459  12.200  -6.201
  163   1HG   LYS  22          HG2       LYS  22   1.726  10.453  -5.140
  164   2HG   LYS  22          HG3       LYS  22   2.760  10.238  -6.544
  165   1HD   LYS  22          HD2       LYS  22   3.987  11.410  -4.826
  166   2HD   LYS  22          HD3       LYS  22   3.741  12.483  -6.212
  167   1HE   LYS  22          HE2       LYS  22   1.847  13.580  -5.026
  168   2HE   LYS  22          HE3       LYS  22   2.060  12.480  -3.658
  169   1HZ   LYS  22          HZ1       LYS  22   3.118  14.607  -3.258
  170   2HZ   LYS  22          HZ2       LYS  22   4.258  13.448  -3.306
  171   3HZ   LYS  22          HZ3       LYS  22   4.064  14.464  -4.575
  172    H    SER  23           H        SER  23  -0.113  12.216  -9.617
  173    HA   SER  23           HA       SER  23  -2.793  12.881  -8.972
  174   1HB   SER  23          HB2       SER  23  -1.382  12.955 -11.659
  175   2HB   SER  23          HB3       SER  23  -2.915  13.771 -11.281
  176    HG   SER  23           HG       SER  23  -1.846  14.977  -9.700
  177    H    ILE  24           H        ILE  24  -1.536  10.320 -11.111
  178    HA   ILE  24           HA       ILE  24  -4.109   9.477 -12.004
  179    HB   ILE  24           HB       ILE  24  -1.360   8.242 -12.038
  180   1HG1  ILE  24          HG12      ILE  24  -3.343   9.069 -14.224
  181   2HG1  ILE  24          HG13      ILE  24  -2.043  10.093 -13.621
  182   1HG2  ILE  24          HG21      ILE  24  -2.179   6.311 -13.308
  183   2HG2  ILE  24          HG22      ILE  24  -2.877   6.330 -11.705
  184   3HG2  ILE  24          HG23      ILE  24  -3.861   6.853 -13.091
  185   1HD1  ILE  24          HD11      ILE  24  -1.679   7.460 -15.105
  186   2HD1  ILE  24          HD12      ILE  24  -1.390   9.079 -15.723
  187   3HD1  ILE  24          HD13      ILE  24  -0.371   8.454 -14.410
  188    H    ALA  25           H        ALA  25  -2.142   8.514  -9.197
  189    HA   ALA  25           HA       ALA  25  -3.841   6.356  -8.468
  190   1HB   ALA  25          HB1       ALA  25  -1.987   8.050  -6.724
  191   2HB   ALA  25          HB2       ALA  25  -2.708   6.498  -6.255
  192   3HB   ALA  25          HB3       ALA  25  -1.537   6.562  -7.588
  193    H    GLU  26           H        GLU  26  -3.785   9.807  -7.608
  194    HA   GLU  26           HA       GLU  26  -5.912   9.684  -5.757
  195   1HB   GLU  26          HB2       GLU  26  -4.318  11.579  -6.001
  196   2HB   GLU  26          HB3       GLU  26  -5.064  12.008  -7.545
  197   1HG   GLU  26          HG2       GLU  26  -7.207  12.464  -6.400
  198   2HG   GLU  26          HG3       GLU  26  -6.512  11.943  -4.861
  199    H    ARG  27           H        ARG  27  -5.968  10.183  -9.314
  200    HA   ARG  27           HA       ARG  27  -8.834  10.527  -9.258
  201   1HB   ARG  27          HB2       ARG  27  -8.857  10.610 -11.572
  202   2HB   ARG  27          HB3       ARG  27  -7.461  11.514 -11.002
  203   1HG   ARG  27          HG2       ARG  27  -6.093  10.405 -12.337
  204   2HG   ARG  27          HG3       ARG  27  -6.621   8.842 -11.725
  205   1HD   ARG  27          HD2       ARG  27  -8.080  10.400 -13.878
  206   2HD   ARG  27          HD3       ARG  27  -6.902   9.129 -14.196
  207    HE   ARG  27           HE       ARG  27  -9.655   8.830 -13.281
  208   1HH1  ARG  27          HH21      ARG  27  -6.519   7.177 -13.561
  209   2HH1  ARG  27          HH22      ARG  27  -7.182   5.586 -13.320
  210   1HH2  ARG  27          HH11      ARG  27 -10.513   6.713 -12.931
  211   2HH2  ARG  27          HH12      ARG  27  -9.449   5.342 -12.825
  212    H    GLU  28           H        GLU  28  -6.748   7.779  -9.709
  213    HA   GLU  28           HA       GLU  28  -8.839   5.914 -10.422
  214   1HB   GLU  28          HB2       GLU  28  -6.271   5.707 -10.791
  215   2HB   GLU  28          HB3       GLU  28  -6.189   5.189  -9.109
  216   1HG   GLU  28          HG2       GLU  28  -6.236   3.227 -10.484
  217   2HG   GLU  28          HG3       GLU  28  -7.816   3.318  -9.726
  218    H    GLY  29           H        GLY  29  -7.652   7.177  -7.358
  219   1HA   GLY  29          HA2       GLY  29  -8.475   6.913  -5.222
  220   2HA   GLY  29          HA3       GLY  29  -9.696   5.762  -5.797
  221    H    LEU  30           H        LEU  30  -6.215   5.555  -6.521
  222    HA   LEU  30           HA       LEU  30  -5.993   2.922  -5.195
  223   1HB   LEU  30          HB2       LEU  30  -4.317   4.554  -7.109
  224   2HB   LEU  30          HB3       LEU  30  -3.455   3.471  -6.035
  225    HG   LEU  30           HG       LEU  30  -5.764   2.553  -7.797
  226   1HD1  LEU  30          HD11      LEU  30  -2.783   2.310  -8.359
  227   2HD1  LEU  30          HD12      LEU  30  -4.108   1.599  -9.325
  228   3HD1  LEU  30          HD13      LEU  30  -3.924   3.362  -9.224
  229   1HD2  LEU  30          HD21      LEU  30  -3.590   1.001  -6.310
  230   2HD2  LEU  30          HD22      LEU  30  -5.316   1.027  -5.896
  231   3HD2  LEU  30          HD23      LEU  30  -4.790   0.292  -7.402
  232    H    ASN  31           H        ASN  31  -4.113   2.630  -3.715
  233    HA   ASN  31           HA       ASN  31  -3.431   5.046  -2.120
  234   1HB   ASN  31          HB2       ASN  31  -5.175   3.889  -0.841
  235   2HB   ASN  31          HB3       ASN  31  -4.330   2.346  -1.023
  236   1HD2  ASN  31          HD22      ASN  31  -3.974   5.664   0.372
  237   2HD2  ASN  31          HD21      ASN  31  -2.837   5.192   1.603
  238    H    VAL  32           H        VAL  32  -1.301   5.254  -2.254
  239    HA   VAL  32           HA       VAL  32   0.521   2.957  -2.199
  240    HB   VAL  32           HB       VAL  32   1.741   3.854  -4.193
  241   1HG1  VAL  32          HG11      VAL  32  -1.068   3.012  -4.990
  242   2HG1  VAL  32          HG12      VAL  32   0.438   2.863  -5.920
  243   3HG1  VAL  32          HG13      VAL  32   0.213   1.902  -4.455
  244   1HG2  VAL  32          HG21      VAL  32  -0.786   5.403  -4.897
  245   2HG2  VAL  32          HG22      VAL  32   0.677   6.162  -4.212
  246   3HG2  VAL  32          HG23      VAL  32   0.762   5.348  -5.769
  247    H    ASN  33           H        ASN  33   2.808   3.856  -2.145
  248    HA   ASN  33           HA       ASN  33   3.062   6.709  -1.475
  249   1HB   ASN  33          HB2       ASN  33   3.456   5.344   0.627
  250   2HB   ASN  33          HB3       ASN  33   4.691   4.425  -0.244
  251   1HD2  ASN  33          HD22      ASN  33   6.786   5.298  -0.362
  252   2HD2  ASN  33          HD21      ASN  33   7.180   6.888   0.272
  253    H    VAL  34           H        VAL  34   4.829   7.570  -2.723
  254    HA   VAL  34           HA       VAL  34   6.424   5.657  -4.205
  255    HB   VAL  34           HB       VAL  34   6.136   6.604  -6.353
  256   1HG1  VAL  34          HG11      VAL  34   3.282   6.270  -5.337
  257   2HG1  VAL  34          HG12      VAL  34   3.913   5.987  -6.972
  258   3HG1  VAL  34          HG13      VAL  34   4.374   4.915  -5.649
  259   1HG2  VAL  34          HG21      VAL  34   4.182   8.605  -5.155
  260   2HG2  VAL  34          HG22      VAL  34   5.778   8.943  -5.864
  261   3HG2  VAL  34          HG23      VAL  34   4.463   8.351  -6.894
  262    H    ARG  35           H        ARG  35   8.431   6.487  -4.880
  263    HA   ARG  35           HA       ARG  35   9.194   9.227  -4.107
  264   1HB   ARG  35          HB2       ARG  35  10.468   6.638  -3.090
  265   2HB   ARG  35          HB3       ARG  35  11.493   8.004  -3.459
  266   1HG   ARG  35          HG2       ARG  35  11.194   8.413  -1.267
  267   2HG   ARG  35          HG3       ARG  35   9.891   9.396  -1.934
  268   1HD   ARG  35          HD2       ARG  35   8.354   7.375  -1.501
  269   2HD   ARG  35          HD3       ARG  35   9.723   6.629  -0.672
  270    HE   ARG  35           HE       ARG  35   9.482   8.055   1.112
  271   1HH1  ARG  35          HH21      ARG  35   7.360   9.271  -1.512
  272   2HH1  ARG  35          HH22      ARG  35   6.657  10.493  -0.518
  273   1HH2  ARG  35          HH11      ARG  35   8.489   9.665   2.399
  274   2HH2  ARG  35          HH12      ARG  35   7.294  10.711   1.738
  275    H    SER  36           H        SER  36  11.365   9.682  -5.078
  276    HA   SER  36           HA       SER  36  11.945   8.135  -7.512
  277   1HB   SER  36          HB2       SER  36  11.987  11.169  -7.368
  278   2HB   SER  36          HB3       SER  36  12.255  10.148  -8.783
  279    HG   SER  36           HG       SER  36   9.873  10.536  -7.296
  280    H    ALA  37           H        ALA  37  14.162   7.886  -7.816
  281    HA   ALA  37           HA       ALA  37  16.048   9.445  -6.193
  282   1HB   ALA  37          HB1       ALA  37  15.353   7.553  -4.721
  283   2HB   ALA  37          HB2       ALA  37  15.808   6.407  -6.002
  284   3HB   ALA  37          HB3       ALA  37  17.040   7.425  -5.214
  285    H    GLY  38           H        GLY  38  18.324   8.448  -6.711
  286   1HA   GLY  38          HA2       GLY  38  18.496   7.239  -9.379
  287   2HA   GLY  38          HA3       GLY  38  19.317   8.786  -9.179
  288    H    VAL  39           H        VAL  39  20.426   6.071  -9.655
  289    HA   VAL  39           HA       VAL  39  21.586   5.034  -7.276
  290    HB   VAL  39           HB       VAL  39  23.201   3.960  -8.967
  291   1HG1  VAL  39          HG11      VAL  39  21.232   2.828  -8.053
  292   2HG1  VAL  39          HG12      VAL  39  20.199   3.579  -9.298
  293   3HG1  VAL  39          HG13      VAL  39  21.462   2.422  -9.765
  294   1HG2  VAL  39          HG21      VAL  39  22.485   3.893 -11.323
  295   2HG2  VAL  39          HG22      VAL  39  21.196   5.042 -11.027
  296   3HG2  VAL  39          HG23      VAL  39  22.890   5.555 -10.884
  297    H    PHE  40           H        PHE  40  22.499   7.771  -9.233
  298    HA   PHE  40           HA       PHE  40  24.691   8.368  -7.330
  299   1HB   PHE  40          HB2       PHE  40  24.887   8.491 -10.368
  300   2HB   PHE  40          HB3       PHE  40  26.061   9.192  -9.266
  301    HD1  PHE  40           HD1      PHE  40  27.342   7.715  -7.652
  302    HD2  PHE  40           HD2      PHE  40  25.041   6.120 -10.938
  303    HE1  PHE  40           HE1      PHE  40  28.625   5.594  -7.530
  304    HE2  PHE  40           HE2      PHE  40  26.351   4.022 -10.832
  305    HZ   PHE  40           HZ       PHE  40  28.133   3.744  -9.120
  306    H    ALA  41           H        ALA  41  21.921   9.267  -7.434
  307    HA   ALA  41           HA       ALA  41  21.956  12.073  -8.351
  308   1HB   ALA  41          HB1       ALA  41  19.836  10.843  -8.417
  309   2HB   ALA  41          HB2       ALA  41  19.970  10.470  -6.679
  310   3HB   ALA  41          HB3       ALA  41  19.740  12.142  -7.226
  311    H    SER  42           H        SER  42  21.270  13.662  -6.511
  312    HA   SER  42           HA       SER  42  22.839  13.193  -4.058
  313   1HB   SER  42          HB2       SER  42  22.997  15.688  -5.787
  314   2HB   SER  42          HB3       SER  42  23.861  15.405  -4.267
  315    HG   SER  42           HG       SER  42  25.156  14.988  -6.119
  316    HA   PRO  43           HA       PRO  43  19.221  14.740  -2.087
  317   1HB   PRO  43          HB2       PRO  43  21.110  16.116  -0.183
  318   2HB   PRO  43          HB3       PRO  43  19.631  15.160   0.178
  319   1HG   PRO  43          HG2       PRO  43  21.996  13.931   0.388
  320   2HG   PRO  43          HG3       PRO  43  20.692  13.128  -0.575
  321   1HD   PRO  43          HD2       PRO  43  22.970  14.857  -1.619
  322   2HD   PRO  43          HD3       PRO  43  22.496  13.202  -2.096
  323    H    ASN  44           H        ASN  44  20.964  16.976  -3.835
  324    HA   ASN  44           HA       ASN  44  18.947  19.065  -3.361
  325   1HB   ASN  44          HB2       ASN  44  20.877  19.575  -1.859
  326   2HB   ASN  44          HB3       ASN  44  21.924  19.685  -3.283
  327   1HD2  ASN  44          HD22      ASN  44  18.729  20.998  -2.103
  328   2HD2  ASN  44          HD21      ASN  44  19.035  22.624  -2.648
  329    H    GLY  45           H        GLY  45  19.701  17.058  -5.504
  330   1HA   GLY  45          HA2       GLY  45  19.976  18.837  -7.870
  331   2HA   GLY  45          HA3       GLY  45  19.598  17.101  -7.869
  332    H    LYS  46           H        LYS  46  17.882  19.102  -9.212
  333    HA   LYS  46           HA       LYS  46  15.405  18.458  -7.835
  334   1HB   LYS  46          HB2       LYS  46  14.604  20.797  -7.656
  335   2HB   LYS  46          HB3       LYS  46  15.932  20.423  -6.565
  336   1HG   LYS  46          HG2       LYS  46  17.518  21.642  -7.969
  337   2HG   LYS  46          HG3       LYS  46  16.309  21.844  -9.242
  338   1HD   LYS  46          HD2       LYS  46  16.607  23.910  -7.983
  339   2HD   LYS  46          HD3       LYS  46  14.958  23.289  -7.810
  340   1HE   LYS  46          HE2       LYS  46  15.497  22.378  -5.591
  341   2HE   LYS  46          HE3       LYS  46  17.187  22.882  -5.765
  342   1HZ   LYS  46          HZ1       LYS  46  16.424  25.186  -5.803
  343   2HZ   LYS  46          HZ2       LYS  46  14.864  24.725  -5.651
  344   3HZ   LYS  46          HZ3       LYS  46  15.919  24.457  -4.438
  345    H    ALA  47           H        ALA  47  13.529  19.164  -8.986
  346    HA   ALA  47           HA       ALA  47  13.402  18.145 -11.514
  347   1HB   ALA  47          HB1       ALA  47  11.199  19.210 -11.660
  348   2HB   ALA  47          HB2       ALA  47  11.507  18.620 -10.010
  349   3HB   ALA  47          HB3       ALA  47  11.643  20.357 -10.372
  350    H    THR  48           H        THR  48  13.587  18.846 -13.651
  351    HA   THR  48           HA       THR  48  15.412  21.002 -13.988
  352    HB   THR  48           HB       THR  48  15.534  20.326 -16.279
  353    HG1  THR  48           HG1      THR  48  14.035  18.769 -17.082
  354   1HG2  THR  48          HG21      THR  48  16.384  18.691 -14.522
  355   2HG2  THR  48          HG22      THR  48  14.881  17.765 -14.779
  356   3HG2  THR  48          HG23      THR  48  16.027  17.993 -16.115
  357    HA   PRO  49           HA       PRO  49  12.826  24.461 -15.099
  358   1HB   PRO  49          HB2       PRO  49  14.430  24.591 -17.659
  359   2HB   PRO  49          HB3       PRO  49  13.978  25.921 -16.545
  360   1HG   PRO  49          HG2       PRO  49  16.470  24.869 -16.459
  361   2HG   PRO  49          HG3       PRO  49  15.593  25.210 -14.930
  362   1HD   PRO  49          HD2       PRO  49  15.922  22.566 -16.359
  363   2HD   PRO  49          HD3       PRO  49  16.067  22.940 -14.614
  364    H    HIS  50           H        HIS  50  12.958  21.638 -17.176
  365    HA   HIS  50           HA       HIS  50  10.574  22.606 -18.649
  366   1HB   HIS  50          HB2       HIS  50  12.738  20.680 -19.500
  367   2HB   HIS  50          HB3       HIS  50  11.252  20.977 -20.408
  368    HD1  HIS  50           HD1      HIS  50  14.143  21.513 -21.694
  369    HD2  HIS  50           HD2      HIS  50  11.572  24.338 -19.892
  370    HE1  HIS  50           HE1      HIS  50  14.796  23.784 -22.619
  371    H    ALA  51           H        ALA  51  11.912  19.812 -16.840
  372    HA   ALA  51           HA       ALA  51   9.614  18.170 -17.171
  373   1HB   ALA  51          HB1       ALA  51  10.367  17.130 -15.018
  374   2HB   ALA  51          HB2       ALA  51  11.715  17.326 -16.147
  375   3HB   ALA  51          HB3       ALA  51  11.526  18.449 -14.792
  376    H    VAL  52           H        VAL  52  10.470  20.635 -14.746
  377    HA   VAL  52           HA       VAL  52   8.090  20.299 -13.258
  378    HB   VAL  52           HB       VAL  52  10.449  21.344 -12.741
  379   1HG1  VAL  52          HG11      VAL  52   8.973  23.916 -13.263
  380   2HG1  VAL  52          HG12      VAL  52  10.600  23.704 -12.574
  381   3HG1  VAL  52          HG13      VAL  52  10.315  23.263 -14.260
  382   1HG2  VAL  52          HG21      VAL  52   8.887  20.894 -11.037
  383   2HG2  VAL  52          HG22      VAL  52   9.497  22.529 -10.769
  384   3HG2  VAL  52          HG23      VAL  52   7.877  22.305 -11.484
  385    H    GLU  53           H        GLU  53   8.975  22.385 -15.953
  386    HA   GLU  53           HA       GLU  53   6.610  23.944 -15.865
  387   1HB   GLU  53          HB2       GLU  53   8.729  24.613 -17.011
  388   2HB   GLU  53          HB3       GLU  53   8.460  23.349 -18.210
  389   1HG   GLU  53          HG2       GLU  53   7.795  25.340 -19.253
  390   2HG   GLU  53          HG3       GLU  53   6.283  24.558 -18.829
  391    H    ALA  54           H        ALA  54   7.507  20.955 -17.591
  392    HA   ALA  54           HA       ALA  54   5.185  20.756 -19.174
  393   1HB   ALA  54          HB1       ALA  54   7.014  18.559 -18.085
  394   2HB   ALA  54          HB2       ALA  54   5.857  18.353 -19.406
  395   3HB   ALA  54          HB3       ALA  54   7.226  19.448 -19.610
  396    H    LEU  55           H        LEU  55   5.884  19.562 -15.901
  397    HA   LEU  55           HA       LEU  55   3.182  18.418 -15.669
  398   1HB   LEU  55          HB2       LEU  55   5.570  18.695 -13.884
  399   2HB   LEU  55          HB3       LEU  55   4.004  18.295 -13.165
  400    HG   LEU  55           HG       LEU  55   5.504  16.343 -13.564
  401   1HD1  LEU  55          HD11      LEU  55   2.854  16.220 -15.031
  402   2HD1  LEU  55          HD12      LEU  55   3.779  14.841 -14.398
  403   3HD1  LEU  55          HD13      LEU  55   3.113  16.025 -13.276
  404   1HD2  LEU  55          HD21      LEU  55   4.885  16.716 -16.524
  405   2HD2  LEU  55          HD22      LEU  55   6.471  16.962 -15.758
  406   3HD2  LEU  55          HD23      LEU  55   5.733  15.354 -15.777
  407    H    PHE  56           H        PHE  56   4.631  21.576 -15.004
  408    HA   PHE  56           HA       PHE  56   2.410  22.468 -13.380
  409   1HB   PHE  56          HB2       PHE  56   4.574  23.667 -13.424
  410   2HB   PHE  56          HB3       PHE  56   4.299  24.100 -15.113
  411    HD1  PHE  56           HD1      PHE  56   2.682  24.309 -11.725
  412    HD2  PHE  56           HD2      PHE  56   3.143  26.135 -15.604
  413    HE1  PHE  56           HE1      PHE  56   1.239  26.179 -11.007
  414    HE2  PHE  56           HE2      PHE  56   1.733  28.040 -14.867
  415    HZ   PHE  56           HZ       PHE  56   0.772  28.069 -12.570
  416    H    GLU  57           H        GLU  57   3.091  22.476 -16.926
  417    HA   GLU  57           HA       GLU  57   0.583  23.627 -17.689
  418   1HB   GLU  57          HB2       GLU  57   2.527  21.751 -19.038
  419   2HB   GLU  57          HB3       GLU  57   1.035  22.276 -19.836
  420   1HG   GLU  57          HG2       GLU  57   1.750  24.637 -19.578
  421   2HG   GLU  57          HG3       GLU  57   3.277  24.099 -18.874
  422    H    LYS  58           H        LYS  58   1.550  20.162 -17.098
  423    HA   LYS  58           HA       LYS  58  -1.126  19.193 -17.496
  424   1HB   LYS  58          HB2       LYS  58   1.013  17.841 -17.481
  425   2HB   LYS  58          HB3       LYS  58   0.971  17.907 -15.711
  426   1HG   LYS  58          HG2       LYS  58  -1.062  16.661 -15.606
  427   2HG   LYS  58          HG3       LYS  58  -1.420  16.901 -17.310
  428   1HD   LYS  58          HD2       LYS  58   0.950  15.283 -16.292
  429   2HD   LYS  58          HD3       LYS  58  -0.630  14.577 -16.627
  430   1HE   LYS  58          HE2       LYS  58   1.061  16.066 -18.683
  431   2HE   LYS  58          HE3       LYS  58   1.042  14.307 -18.483
  432   1HZ   LYS  58          HZ1       LYS  58  -0.467  15.028 -20.248
  433   2HZ   LYS  58          HZ2       LYS  58  -1.284  14.274 -19.058
  434   3HZ   LYS  58          HZ3       LYS  58  -1.352  15.911 -19.196
  435    H    HIS  59           H        HIS  59   0.024  21.204 -15.057
  436    HA   HIS  59           HA       HIS  59  -0.857  22.145 -13.277
  437   1HB   HIS  59          HB2       HIS  59  -2.905  22.235 -14.726
  438   2HB   HIS  59          HB3       HIS  59  -3.525  20.839 -13.842
  439    HD1  HIS  59           HD1      HIS  59  -4.978  21.559 -11.775
  440    HD2  HIS  59           HD2      HIS  59  -2.072  24.378 -12.934
  441    HE1  HIS  59           HE1      HIS  59  -5.293  23.575 -10.252
  442    H    ILE  60           H        ILE  60   0.746  20.226 -12.795
  443    HA   ILE  60           HA       ILE  60  -0.300  18.871 -10.354
  444    HB   ILE  60           HB       ILE  60   1.749  17.826 -12.343
  445   1HG1  ILE  60          HG12      ILE  60  -1.075  16.847 -11.704
  446   2HG1  ILE  60          HG13      ILE  60  -0.599  17.681 -13.176
  447   1HG2  ILE  60          HG21      ILE  60   0.627  16.537  -9.808
  448   2HG2  ILE  60          HG22      ILE  60   1.742  15.768 -10.946
  449   3HG2  ILE  60          HG23      ILE  60   2.282  17.147 -10.012
  450   1HD1  ILE  60          HD11      ILE  60   0.849  15.846 -13.841
  451   2HD1  ILE  60          HD12      ILE  60   0.401  14.923 -12.386
  452   3HD1  ILE  60          HD13      ILE  60  -0.821  15.313 -13.598
  453    H    ALA  61           H        ALA  61   2.158  20.909 -11.825
  454    HA   ALA  61           HA       ALA  61   3.872  22.114 -10.993
  455   1HB   ALA  61          HB1       ALA  61   1.924  23.150  -9.841
  456   2HB   ALA  61          HB2       ALA  61   2.232  22.120  -8.432
  457   3HB   ALA  61          HB3       ALA  61   3.441  23.318  -8.934
  458    H    LEU  62           H        LEU  62   4.847  19.877 -11.261
  459    HA   LEU  62           HA       LEU  62   5.375  17.863  -9.694
  460   1HB   LEU  62          HB2       LEU  62   6.140  18.209 -11.932
  461   2HB   LEU  62          HB3       LEU  62   7.371  19.341 -11.441
  462    HG   LEU  62           HG       LEU  62   7.307  16.331 -10.929
  463   1HD1  LEU  62          HD11      LEU  62   7.734  17.053 -13.293
  464   2HD1  LEU  62          HD12      LEU  62   9.090  18.045 -12.724
  465   3HD1  LEU  62          HD13      LEU  62   9.142  16.278 -12.558
  466   1HD2  LEU  62          HD21      LEU  62   9.824  16.847 -10.386
  467   2HD2  LEU  62          HD22      LEU  62   9.248  18.481 -10.049
  468   3HD2  LEU  62          HD23      LEU  62   8.603  17.092  -9.136
  469    H    ASN  63           H        ASN  63   7.555  20.690  -9.438
  470    HA   ASN  63           HA       ASN  63   9.321  21.087  -8.014
  471   1HB   ASN  63          HB2       ASN  63   6.799  21.328  -6.356
  472   2HB   ASN  63          HB3       ASN  63   8.372  21.919  -5.827
  473   1HD2  ASN  63          HD22      ASN  63   5.746  22.431  -8.111
  474   2HD2  ASN  63          HD21      ASN  63   6.348  23.952  -8.768
  475    H    HIS  64           H        HIS  64  10.680  19.315  -7.827
  476    HA   HIS  64           HA       HIS  64  10.436  17.669  -5.358
  477   1HB   HIS  64          HB2       HIS  64   9.605  16.344  -7.250
  478   2HB   HIS  64          HB3       HIS  64  11.046  16.744  -8.197
  479    HD1  HIS  64           HD1      HIS  64   9.766  14.073  -5.897
  480    HD2  HIS  64           HD2      HIS  64  13.413  15.591  -7.387
  481    HE1  HIS  64           HE1      HIS  64  11.515  12.320  -5.436
  482    H    VAL  65           H        VAL  65  12.434  17.072  -4.485
  483    HA   VAL  65           HA       VAL  65  14.936  18.151  -5.683
  484    HB   VAL  65           HB       VAL  65  14.214  18.123  -2.723
  485   1HG1  VAL  65          HG11      VAL  65  16.317  19.302  -2.391
  486   2HG1  VAL  65          HG12      VAL  65  16.651  17.795  -3.253
  487   3HG1  VAL  65          HG13      VAL  65  16.627  19.336  -4.140
  488   1HG2  VAL  65          HG21      VAL  65  14.439  20.474  -4.653
  489   2HG2  VAL  65          HG22      VAL  65  12.980  19.953  -3.781
  490   3HG2  VAL  65          HG23      VAL  65  14.352  20.616  -2.884
  491    H    SER  66           H        SER  66  16.299  16.556  -6.025
  492    HA   SER  66           HA       SER  66  15.639  13.836  -5.827
  493   1HB   SER  66          HB2       SER  66  18.320  15.207  -6.280
  494   2HB   SER  66          HB3       SER  66  17.888  13.565  -6.793
  495    HG   SER  66           HG       SER  66  17.716  15.307  -8.406
  496    H    SER  67           H        SER  67  17.167  12.154  -4.994
  497    HA   SER  67           HA       SER  67  18.985  12.665  -2.831
  498   1HB   SER  67          HB2       SER  67  16.340  11.214  -2.323
  499   2HB   SER  67          HB3       SER  67  17.764  11.038  -1.283
  500    HG   SER  67           HG       SER  67  16.883  13.618  -1.921
  501    HA   PRO  68           HA       PRO  68  20.403   8.966  -4.915
  502   1HB   PRO  68          HB2       PRO  68  21.987   7.725  -3.066
  503   2HB   PRO  68          HB3       PRO  68  22.443   9.267  -3.844
  504   1HG   PRO  68          HG2       PRO  68  21.112   8.868  -1.145
  505   2HG   PRO  68          HG3       PRO  68  22.542   9.881  -1.532
  506   1HD   PRO  68          HD2       PRO  68  20.040  10.936  -1.357
  507   2HD   PRO  68          HD3       PRO  68  21.204  11.519  -2.586
  508    H    LEU  69           H        LEU  69  20.028   6.684  -5.035
  509    HA   LEU  69           HA       LEU  69  17.905   5.595  -3.257
  510   1HB   LEU  69          HB2       LEU  69  17.728   5.140  -5.672
  511   2HB   LEU  69          HB3       LEU  69  19.352   4.467  -5.705
  512    HG   LEU  69           HG       LEU  69  18.708   2.554  -4.453
  513   1HD1  LEU  69          HD11      LEU  69  16.299   2.196  -3.695
  514   2HD1  LEU  69          HD12      LEU  69  17.202   3.357  -2.734
  515   3HD1  LEU  69          HD13      LEU  69  16.045   3.935  -3.950
  516   1HD2  LEU  69          HD21      LEU  69  18.114   2.556  -6.835
  517   2HD2  LEU  69          HD22      LEU  69  17.025   1.531  -5.891
  518   3HD2  LEU  69          HD23      LEU  69  16.477   3.132  -6.431
  519    H    THR  70           H        THR  70  18.550   4.820  -1.354
  520    HA   THR  70           HA       THR  70  21.122   3.407  -1.121
  521    HB   THR  70           HB       THR  70  21.072   4.513   1.263
  522    HG1  THR  70           HG1      THR  70  20.136   6.522   1.306
  523   1HG2  THR  70          HG21      THR  70  22.813   4.832  -0.457
  524   2HG2  THR  70          HG22      THR  70  21.832   6.093  -1.233
  525   3HG2  THR  70          HG23      THR  70  22.479   6.345   0.407
  526    H    GLU  71           H        GLU  71  21.147   2.119   0.984
  527    HA   GLU  71           HA       GLU  71  19.389   0.167   0.104
  528   1HB   GLU  71          HB2       GLU  71  21.724  -0.095   1.033
  529   2HB   GLU  71          HB3       GLU  71  21.053   0.086   2.659
  530   1HG   GLU  71          HG2       GLU  71  19.651  -1.935   2.293
  531   2HG   GLU  71          HG3       GLU  71  20.270  -2.075   0.645
  532    H    GLU  72           H        GLU  72  19.161   2.241   2.962
  533    HA   GLU  72           HA       GLU  72  17.114   0.765   4.264
  534   1HB   GLU  72          HB2       GLU  72  16.723   2.832   5.556
  535   2HB   GLU  72          HB3       GLU  72  18.426   2.380   5.478
  536   1HG   GLU  72          HG2       GLU  72  18.780   4.103   3.692
  537   2HG   GLU  72          HG3       GLU  72  17.090   4.585   3.849
  538    H    LEU  73           H        LEU  73  16.976   3.248   1.721
  539    HA   LEU  73           HA       LEU  73  14.112   3.489   1.858
  540   1HB   LEU  73          HB2       LEU  73  15.594   5.267   0.925
  541   2HB   LEU  73          HB3       LEU  73  16.030   4.172  -0.401
  542    HG   LEU  73           HG       LEU  73  13.683   4.161  -1.142
  543   1HD1  LEU  73          HD11      LEU  73  13.180   6.195   1.041
  544   2HD1  LEU  73          HD12      LEU  73  12.081   5.836  -0.314
  545   3HD1  LEU  73          HD13      LEU  73  12.438   4.581   0.866
  546   1HD2  LEU  73          HD21      LEU  73  15.298   5.756  -2.101
  547   2HD2  LEU  73          HD22      LEU  73  13.662   6.425  -2.081
  548   3HD2  LEU  73          HD23      LEU  73  14.853   6.951  -0.867
  549    H    MET  74           H        MET  74  16.456   1.613  -0.026
  550    HA   MET  74           HA       MET  74  14.673   0.260  -1.743
  551   1HB   MET  74          HB2       MET  74  16.827   0.039  -2.414
  552   2HB   MET  74          HB3       MET  74  17.464  -0.076  -0.791
  553   1HG   MET  74          HG2       MET  74  17.885  -2.136  -1.931
  554   2HG   MET  74          HG3       MET  74  16.780  -2.397  -0.599
  555   1HE   MET  74          HE1       MET  74  16.428  -1.266  -4.432
  556   2HE   MET  74          HE2       MET  74  17.383  -2.767  -4.435
  557   3HE   MET  74          HE3       MET  74  15.743  -2.767  -5.106
  558    H    GLU  75           H        GLU  75  15.779  -0.578   1.545
  559    HA   GLU  75           HA       GLU  75  14.314  -3.050   1.699
  560   1HB   GLU  75          HB2       GLU  75  15.560  -1.218   3.781
  561   2HB   GLU  75          HB3       GLU  75  14.644  -2.662   4.224
  562   1HG   GLU  75          HG2       GLU  75  16.143  -4.061   2.828
  563   2HG   GLU  75          HG3       GLU  75  17.138  -2.655   2.471
  564    H    SER  76           H        SER  76  13.517   0.341   2.524
  565    HA   SER  76           HA       SER  76  11.080  -0.248   3.896
  566   1HB   SER  76          HB2       SER  76  11.896   2.266   2.378
  567   2HB   SER  76          HB3       SER  76  10.578   2.131   3.550
  568    HG   SER  76           HG       SER  76  13.370   1.798   4.003
  569    H    ALA  77           H        ALA  77  11.785   0.384   0.411
  570    HA   ALA  77           HA       ALA  77   8.973   0.546  -0.222
  571   1HB   ALA  77          HB1       ALA  77   9.722   0.730  -2.550
  572   2HB   ALA  77          HB2       ALA  77  10.613   1.810  -1.467
  573   3HB   ALA  77          HB3       ALA  77  11.378   0.301  -2.053
  574    H    ASP  78           H        ASP  78   7.828  -0.811  -1.800
  575    HA   ASP  78           HA       ASP  78   8.406  -3.695  -1.447
  576   1HB   ASP  78          HB2       ASP  78   6.060  -2.944  -1.056
  577   2HB   ASP  78          HB3       ASP  78   6.001  -2.323  -2.709
  578    H    LEU  79           H        LEU  79   8.358  -1.072  -3.837
  579    HA   LEU  79           HA       LEU  79   9.161  -2.964  -5.977
  580   1HB   LEU  79          HB2       LEU  79   6.701  -2.256  -5.993
  581   2HB   LEU  79          HB3       LEU  79   7.241  -0.596  -6.123
  582    HG   LEU  79           HG       LEU  79   8.369  -1.160  -8.310
  583   1HD1  LEU  79          HD11      LEU  79   7.721  -3.265  -9.426
  584   2HD1  LEU  79          HD12      LEU  79   8.645  -3.613  -7.963
  585   3HD1  LEU  79          HD13      LEU  79   6.875  -3.800  -7.955
  586   1HD2  LEU  79          HD21      LEU  79   6.063  -0.197  -8.249
  587   2HD2  LEU  79          HD22      LEU  79   6.324  -1.267  -9.630
  588   3HD2  LEU  79          HD23      LEU  79   5.404  -1.836  -8.227
  589    H    VAL  80           H        VAL  80  10.735  -2.249  -7.310
  590    HA   VAL  80           HA       VAL  80  11.469   0.625  -7.218
  591    HB   VAL  80           HB       VAL  80  13.374  -1.744  -7.403
  592   1HG1  VAL  80          HG11      VAL  80  15.152  -0.017  -7.300
  593   2HG1  VAL  80          HG12      VAL  80  14.153   0.188  -8.745
  594   3HG1  VAL  80          HG13      VAL  80  13.918   1.261  -7.348
  595   1HG2  VAL  80          HG21      VAL  80  12.642  -1.478  -5.096
  596   2HG2  VAL  80          HG22      VAL  80  14.257  -0.780  -5.226
  597   3HG2  VAL  80          HG23      VAL  80  12.832   0.274  -5.195
  598    H    LEU  81           H        LEU  81  11.551   1.545  -9.177
  599    HA   LEU  81           HA       LEU  81  10.843  -0.138 -11.494
  600   1HB   LEU  81          HB2       LEU  81   9.151   1.589 -10.021
  601   2HB   LEU  81          HB3       LEU  81   9.503   2.449 -11.512
  602    HG   LEU  81           HG       LEU  81   8.576  -0.479 -11.455
  603   1HD1  LEU  81          HD11      LEU  81   6.898   1.149 -10.450
  604   2HD1  LEU  81          HD12      LEU  81   6.848   1.948 -12.038
  605   3HD1  LEU  81          HD13      LEU  81   6.372   0.235 -11.857
  606   1HD2  LEU  81          HD21      LEU  81   8.774   1.587 -13.641
  607   2HD2  LEU  81          HD22      LEU  81   9.721   0.091 -13.500
  608   3HD2  LEU  81          HD23      LEU  81   7.982   0.002 -13.812
  609    H    ALA  82           H        ALA  82  12.728  -0.085 -12.478
  610    HA   ALA  82           HA       ALA  82  14.435   2.302 -12.464
  611   1HB   ALA  82          HB1       ALA  82  15.411   0.124 -11.753
  612   2HB   ALA  82          HB2       ALA  82  14.940  -0.597 -13.312
  613   3HB   ALA  82          HB3       ALA  82  16.158   0.689 -13.253
  614    H    MET  83           H        MET  83  15.310   3.038 -14.449
  615    HA   MET  83           HA       MET  83  13.370   2.775 -16.632
  616   1HB   MET  83          HB2       MET  83  15.352   4.957 -15.980
  617   2HB   MET  83          HB3       MET  83  14.200   4.961 -17.341
  618   1HG   MET  83          HG2       MET  83  12.359   4.440 -15.688
  619   2HG   MET  83          HG3       MET  83  13.500   4.676 -14.384
  620   1HE   MET  83          HE1       MET  83  11.992   6.343 -13.056
  621   2HE   MET  83          HE2       MET  83  10.892   7.421 -13.964
  622   3HE   MET  83          HE3       MET  83  10.871   5.669 -14.251
  623    H    THR  84           H        THR  84  16.470   1.392 -16.138
  624    HA   THR  84           HA       THR  84  16.198   0.314 -18.794
  625    HB   THR  84           HB       THR  84  18.437   0.642 -19.598
  626    HG1  THR  84           HG1      THR  84  19.887   1.974 -18.500
  627   1HG2  THR  84          HG21      THR  84  18.608   2.990 -20.139
  628   2HG2  THR  84          HG22      THR  84  16.926   2.471 -20.278
  629   3HG2  THR  84          HG23      THR  84  17.451   3.425 -18.867
  630    H    HIS  85           H        HIS  85  17.816  -1.540 -19.067
  631    HA   HIS  85           HA       HIS  85  18.023  -3.136 -16.722
  632   1HB   HIS  85          HB2       HIS  85  17.996  -3.969 -19.139
  633   2HB   HIS  85          HB3       HIS  85  19.667  -3.436 -19.267
  634    HD1  HIS  85           HD1      HIS  85  21.481  -5.067 -18.100
  635    HD2  HIS  85           HD2      HIS  85  17.441  -6.000 -17.365
  636    HE1  HIS  85           HE1      HIS  85  21.459  -7.389 -17.072
  637    H    GLN  86           H        GLN  86  20.194  -0.743 -18.234
  638    HA   GLN  86           HA       GLN  86  22.488  -1.490 -16.733
  639   1HB   GLN  86          HB2       GLN  86  22.660  -0.061 -18.728
  640   2HB   GLN  86          HB3       GLN  86  21.745   1.214 -17.921
  641   1HG   GLN  86          HG2       GLN  86  24.100   1.767 -17.918
  642   2HG   GLN  86          HG3       GLN  86  23.555   1.520 -16.272
  643   1HE2  GLN  86          HE22      GLN  86  24.205  -0.521 -15.161
  644   2HE2  GLN  86          HE21      GLN  86  25.645  -1.362 -15.707
  645    H    HIS  87           H        HIS  87  19.810   0.789 -16.046
  646    HA   HIS  87           HA       HIS  87  20.774   1.590 -13.491
  647   1HB   HIS  87          HB2       HIS  87  17.918   1.342 -14.514
  648   2HB   HIS  87          HB3       HIS  87  18.369   2.080 -12.980
  649    HD1  HIS  87           HD1      HIS  87  18.410   2.836 -16.724
  650    HD2  HIS  87           HD2      HIS  87  19.911   4.354 -13.119
  651    HE1  HIS  87           HE1      HIS  87  19.088   5.225 -17.209
  652    H    LYS  88           H        LYS  88  18.682  -1.141 -14.476
  653    HA   LYS  88           HA       LYS  88  18.270  -2.147 -11.864
  654   1HB   LYS  88          HB2       LYS  88  17.019  -2.873 -13.903
  655   2HB   LYS  88          HB3       LYS  88  18.453  -3.758 -14.447
  656   1HG   LYS  88          HG2       LYS  88  18.358  -5.145 -12.372
  657   2HG   LYS  88          HG3       LYS  88  16.884  -4.317 -11.888
  658   1HD   LYS  88          HD2       LYS  88  17.261  -5.959 -14.436
  659   2HD   LYS  88          HD3       LYS  88  16.514  -6.543 -12.946
  660   1HE   LYS  88          HE2       LYS  88  14.728  -4.793 -13.197
  661   2HE   LYS  88          HE3       LYS  88  15.430  -4.346 -14.760
  662   1HZ   LYS  88          HZ1       LYS  88  15.035  -6.652 -15.492
  663   2HZ   LYS  88          HZ2       LYS  88  14.318  -7.011 -14.060
  664   3HZ   LYS  88          HZ3       LYS  88  13.646  -5.928 -15.086
  665    H    GLN  89           H        GLN  89  20.931  -2.785 -14.127
  666    HA   GLN  89           HA       GLN  89  22.274  -4.672 -12.468
  667   1HB   GLN  89          HB2       GLN  89  23.232  -2.847 -14.718
  668   2HB   GLN  89          HB3       GLN  89  24.315  -3.965 -13.890
  669   1HG   GLN  89          HG2       GLN  89  23.014  -5.885 -14.608
  670   2HG   GLN  89          HG3       GLN  89  21.781  -4.850 -15.322
  671   1HE2  GLN  89          HE22      GLN  89  25.223  -5.865 -15.617
  672   2HE2  GLN  89          HE21      GLN  89  25.379  -5.424 -17.298
  673    H    ILE  90           H        ILE  90  22.506  -1.097 -12.657
  674    HA   ILE  90           HA       ILE  90  24.751  -1.026 -10.875
  675    HB   ILE  90           HB       ILE  90  22.715   1.142 -11.512
  676   1HG1  ILE  90          HG12      ILE  90  25.631   1.025 -12.408
  677   2HG1  ILE  90          HG13      ILE  90  24.378   0.245 -13.343
  678   1HG2  ILE  90          HG21      ILE  90  24.423   2.714 -10.531
  679   2HG2  ILE  90          HG22      ILE  90  23.776   1.615  -9.319
  680   3HG2  ILE  90          HG23      ILE  90  25.380   1.320 -10.008
  681   1HD1  ILE  90          HD11      ILE  90  24.795   2.446 -14.265
  682   2HD1  ILE  90          HD12      ILE  90  23.164   2.414 -13.568
  683   3HD1  ILE  90          HD13      ILE  90  24.491   3.226 -12.709
  684    H    ILE  91           H        ILE  91  21.227  -0.899 -10.357
  685    HA   ILE  91           HA       ILE  91  21.306  -0.435  -7.559
  686    HB   ILE  91           HB       ILE  91  19.259  -1.845  -9.313
  687   1HG1  ILE  91          HG12      ILE  91  19.126   0.930  -8.056
  688   2HG1  ILE  91          HG13      ILE  91  19.832   0.678  -9.633
  689   1HG2  ILE  91          HG21      ILE  91  18.933  -0.884  -6.436
  690   2HG2  ILE  91          HG22      ILE  91  17.628  -1.492  -7.467
  691   3HG2  ILE  91          HG23      ILE  91  18.917  -2.582  -6.972
  692   1HD1  ILE  91          HD11      ILE  91  17.695  -0.322 -10.449
  693   2HD1  ILE  91          HD12      ILE  91  16.945   0.119  -8.898
  694   3HD1  ILE  91          HD13      ILE  91  17.587   1.379  -9.968
  695    H    ALA  92           H        ALA  92  21.294  -3.458  -9.437
  696    HA   ALA  92           HA       ALA  92  21.419  -5.230  -7.237
  697   1HB   ALA  92          HB1       ALA  92  22.167  -6.898  -8.905
  698   2HB   ALA  92          HB2       ALA  92  20.859  -5.899  -9.581
  699   3HB   ALA  92          HB3       ALA  92  22.543  -5.607 -10.055
  700    H    SER  93           H        SER  93  23.992  -3.589  -9.052
  701    HA   SER  93           HA       SER  93  26.145  -5.007  -7.809
  702   1HB   SER  93          HB2       SER  93  26.156  -2.292  -9.196
  703   2HB   SER  93          HB3       SER  93  27.572  -3.298  -8.848
  704    HG   SER  93           HG       SER  93  25.390  -3.866 -10.581
  705    H    GLN  94           H        GLN  94  24.432  -1.981  -6.952
  706    HA   GLN  94           HA       GLN  94  26.472  -1.358  -4.953
  707   1HB   GLN  94          HB2       GLN  94  25.186   0.567  -4.370
  708   2HB   GLN  94          HB3       GLN  94  25.395   0.474  -6.118
  709   1HG   GLN  94          HG2       GLN  94  23.080  -0.211  -6.404
  710   2HG   GLN  94          HG3       GLN  94  22.855  -0.374  -4.671
  711   1HE2  GLN  94          HE22      GLN  94  21.441   1.176  -4.083
  712   2HE2  GLN  94          HE21      GLN  94  21.633   2.884  -4.371
  713    H    PHE  95           H        PHE  95  23.239  -2.885  -4.951
  714    HA   PHE  95           HA       PHE  95  23.327  -2.948  -1.986
  715   1HB   PHE  95          HB2       PHE  95  21.200  -3.666  -4.008
  716   2HB   PHE  95          HB3       PHE  95  20.993  -3.773  -2.261
  717    HD1  PHE  95           HD1      PHE  95  19.459  -2.138  -4.437
  718    HD2  PHE  95           HD2      PHE  95  22.440  -1.070  -1.500
  719    HE1  PHE  95           HE1      PHE  95  18.447   0.113  -4.197
  720    HE2  PHE  95           HE2      PHE  95  21.492   1.149  -1.337
  721    HZ   PHE  95           HZ       PHE  95  19.405   1.734  -2.568
  722    H    GLY  96           H        GLY  96  24.110  -5.191  -4.544
  723   1HA   GLY  96          HA2       GLY  96  25.002  -7.330  -4.188
  724   2HA   GLY  96          HA3       GLY  96  24.430  -7.329  -2.515
  725    H    ARG  97           H        ARG  97  23.091  -7.059  -5.808
  726    HA   ARG  97           HA       ARG  97  21.297  -7.877  -6.849
  727   1HB   ARG  97          HB2       ARG  97  22.930  -9.828  -6.580
  728   2HB   ARG  97          HB3       ARG  97  21.782 -10.491  -5.415
  729   1HG   ARG  97          HG2       ARG  97  20.002 -10.394  -7.245
  730   2HG   ARG  97          HG3       ARG  97  21.238  -9.772  -8.341
  731   1HD   ARG  97          HD2       ARG  97  20.972 -12.115  -8.758
  732   2HD   ARG  97          HD3       ARG  97  22.557 -11.863  -8.002
  733    HE   ARG  97           HE       ARG  97  20.532 -12.441  -6.034
  734   1HH1  ARG  97          HH11      ARG  97  22.519 -14.051  -8.495
  735   2HH1  ARG  97          HH12      ARG  97  22.497 -15.588  -7.715
  736   1HH2  ARG  97          HH21      ARG  97  20.506 -14.488  -4.984
  737   2HH2  ARG  97          HH22      ARG  97  21.320 -15.838  -5.675
  738    H    TYR  98           H        TYR  98  20.370  -6.325  -4.840
  739    HA   TYR  98           HA       TYR  98  17.917  -7.588  -3.811
  740   1HB   TYR  98          HB2       TYR  98  18.980  -4.759  -3.901
  741   2HB   TYR  98          HB3       TYR  98  17.287  -5.067  -3.602
  742    HD1  TYR  98           HD1      TYR  98  16.545  -5.192  -1.423
  743    HD2  TYR  98           HD2      TYR  98  20.604  -6.368  -2.295
  744    HE1  TYR  98           HE1      TYR  98  16.970  -5.504   0.990
  745    HE2  TYR  98           HE2      TYR  98  21.037  -6.685   0.104
  746    HH   TYR  98           HH       TYR  98  20.160  -6.569   2.266
  747    H    ARG  99           H        ARG  99  18.931  -7.281  -6.840
  748    HA   ARG  99           HA       ARG  99  17.212  -6.093  -8.545
  749   1HB   ARG  99          HB2       ARG  99  19.207  -7.466  -9.061
  750   2HB   ARG  99          HB3       ARG  99  18.317  -8.935  -8.654
  751   1HG   ARG  99          HG2       ARG  99  16.822  -8.610 -10.560
  752   2HG   ARG  99          HG3       ARG  99  17.576  -7.042 -10.919
  753   1HD   ARG  99          HD2       ARG  99  19.701  -8.120 -11.432
  754   2HD   ARG  99          HD3       ARG  99  19.101  -9.681 -10.868
  755    HE   ARG  99           HE       ARG  99  17.620  -9.838 -12.726
  756   1HH1  ARG  99          HH11      ARG  99  20.064  -7.262 -13.123
  757   2HH1  ARG  99          HH12      ARG  99  19.805  -7.157 -14.843
  758   1HH2  ARG  99          HH21      ARG  99  17.413  -9.700 -15.019
  759   2HH2  ARG  99          HH22      ARG  99  18.365  -8.541 -15.897
  760    H    ASP 100           H        ASP 100  16.330  -8.827  -6.470
  761    HA   ASP 100           HA       ASP 100  14.226  -9.982  -7.821
  762   1HB   ASP 100          HB2       ASP 100  15.171 -10.845  -5.748
  763   2HB   ASP 100          HB3       ASP 100  14.538  -9.464  -4.846
  764    H    LYS 101           H        LYS 101  14.100  -6.852  -6.041
  765    HA   LYS 101           HA       LYS 101  11.198  -6.757  -6.641
  766   1HB   LYS 101          HB2       LYS 101  10.885  -5.203  -4.963
  767   2HB   LYS 101          HB3       LYS 101  11.893  -6.468  -4.271
  768   1HG   LYS 101          HG2       LYS 101  13.874  -5.001  -4.413
  769   2HG   LYS 101          HG3       LYS 101  12.948  -3.788  -5.299
  770   1HD   LYS 101          HD2       LYS 101  13.018  -2.983  -3.086
  771   2HD   LYS 101          HD3       LYS 101  11.390  -3.600  -3.298
  772   1HE   LYS 101          HE2       LYS 101  11.964  -5.674  -2.107
  773   2HE   LYS 101          HE3       LYS 101  13.666  -5.191  -2.032
  774   1HZ   LYS 101          HZ1       LYS 101  11.449  -3.732  -0.702
  775   2HZ   LYS 101          HZ2       LYS 101  12.519  -4.728   0.051
  776   3HZ   LYS 101          HZ3       LYS 101  13.005  -3.310  -0.648
  777    H    VAL 102           H        VAL 102  13.806  -5.938  -8.347
  778    HA   VAL 102           HA       VAL 102  12.907  -3.226  -9.056
  779    HB   VAL 102           HB       VAL 102  15.290  -4.751 -10.175
  780   1HG1  VAL 102          HG11      VAL 102  14.588  -2.833 -11.541
  781   2HG1  VAL 102          HG12      VAL 102  14.539  -1.788 -10.109
  782   3HG1  VAL 102          HG13      VAL 102  16.085  -2.416 -10.702
  783   1HG2  VAL 102          HG21      VAL 102  15.393  -2.748  -7.882
  784   2HG2  VAL 102          HG22      VAL 102  15.656  -4.495  -7.719
  785   3HG2  VAL 102          HG23      VAL 102  16.765  -3.532  -8.698
  786    H    PHE 103           H        PHE 103  11.875  -2.864 -10.997
  787    HA   PHE 103           HA       PHE 103  11.856  -4.933 -13.101
  788   1HB   PHE 103          HB2       PHE 103   9.414  -3.435 -12.052
  789   2HB   PHE 103          HB3       PHE 103   9.461  -4.391 -13.526
  790    HD1  PHE 103           HD1      PHE 103   9.183  -6.788 -13.482
  791    HD2  PHE 103           HD2      PHE 103   9.706  -4.596  -9.804
  792    HE1  PHE 103           HE1      PHE 103   8.518  -8.796 -12.183
  793    HE2  PHE 103           HE2      PHE 103   9.032  -6.602  -8.510
  794    HZ   PHE 103           HZ       PHE 103   8.439  -8.709  -9.698
  795    H    THR 104           H        THR 104  11.688  -3.920 -15.190
  796    HA   THR 104           HA       THR 104  12.654  -1.163 -15.086
  797    HB   THR 104           HB       THR 104  12.406  -2.607 -17.691
  798    HG1  THR 104           HG1      THR 104  13.265  -4.185 -16.343
  799   1HG2  THR 104          HG21      THR 104  14.600  -0.921 -16.385
  800   2HG2  THR 104          HG22      THR 104  14.569  -1.487 -18.068
  801   3HG2  THR 104          HG23      THR 104  13.386  -0.295 -17.532
  802    H    LEU 105           H        LEU 105  11.735   0.527 -16.414
  803    HA   LEU 105           HA       LEU 105   9.185   0.955 -15.703
  804   1HB   LEU 105          HB2       LEU 105  10.883   2.647 -16.259
  805   2HB   LEU 105          HB3       LEU 105  10.603   2.364 -17.980
  806    HG   LEU 105           HG       LEU 105   8.303   3.166 -17.763
  807   1HD1  LEU 105          HD11      LEU 105   7.541   4.299 -15.642
  808   2HD1  LEU 105          HD12      LEU 105   7.677   2.555 -15.472
  809   3HD1  LEU 105          HD13      LEU 105   8.949   3.613 -14.807
  810   1HD2  LEU 105          HD21      LEU 105  10.149   4.772 -18.187
  811   2HD2  LEU 105          HD22      LEU 105   8.786   5.525 -17.337
  812   3HD2  LEU 105          HD23      LEU 105  10.258   5.089 -16.446
  813    H    LYS 106           H        LYS 106   9.958   0.091 -19.157
  814    HA   LYS 106           HA       LYS 106   7.080  -0.175 -19.728
  815   1HB   LYS 106          HB2       LYS 106   9.608  -0.974 -21.215
  816   2HB   LYS 106          HB3       LYS 106   8.028  -1.455 -21.792
  817   1HG   LYS 106          HG2       LYS 106   8.595   1.474 -21.217
  818   2HG   LYS 106          HG3       LYS 106   9.088   0.731 -22.744
  819   1HD   LYS 106          HD2       LYS 106   6.841   0.108 -23.309
  820   2HD   LYS 106          HD3       LYS 106   6.224   0.575 -21.717
  821   1HE   LYS 106          HE2       LYS 106   6.728   2.924 -22.137
  822   2HE   LYS 106          HE3       LYS 106   7.531   2.526 -23.664
  823   1HZ   LYS 106          HZ1       LYS 106   4.642   2.090 -23.138
  824   2HZ   LYS 106          HZ2       LYS 106   5.254   3.334 -24.002
  825   3HZ   LYS 106          HZ3       LYS 106   5.416   1.805 -24.552
  826    H    GLU 107           H        GLU 107   9.661  -2.274 -18.600
  827    HA   GLU 107           HA       GLU 107   8.576  -4.769 -19.286
  828   1HB   GLU 107          HB2       GLU 107  10.906  -4.126 -18.614
  829   2HB   GLU 107          HB3       GLU 107  10.347  -3.975 -16.955
  830   1HG   GLU 107          HG2       GLU 107   9.870  -6.382 -16.868
  831   2HG   GLU 107          HG3       GLU 107  10.395  -6.543 -18.563
  832    H    TYR 108           H        TYR 108   8.145  -2.828 -16.296
  833    HA   TYR 108           HA       TYR 108   6.654  -4.718 -14.824
  834   1HB   TYR 108          HB2       TYR 108   7.736  -2.616 -13.990
  835   2HB   TYR 108          HB3       TYR 108   6.456  -1.686 -14.756
  836    HD1  TYR 108           HD1      TYR 108   4.393  -1.305 -13.573
  837    HD2  TYR 108           HD2      TYR 108   7.077  -4.405 -12.246
  838    HE1  TYR 108           HE1      TYR 108   3.042  -1.589 -11.516
  839    HE2  TYR 108           HE2      TYR 108   5.745  -4.691 -10.186
  840    HH   TYR 108           HH       TYR 108   2.767  -2.824  -9.554
  841    H    VAL 109           H        VAL 109   5.652  -2.619 -17.462
  842    HA   VAL 109           HA       VAL 109   2.782  -2.937 -16.783
  843    HB   VAL 109           HB       VAL 109   4.217  -1.041 -18.685
  844   1HG1  VAL 109          HG11      VAL 109   1.401  -0.945 -17.525
  845   2HG1  VAL 109          HG12      VAL 109   2.165   0.308 -18.533
  846   3HG1  VAL 109          HG13      VAL 109   1.811  -1.280 -19.226
  847   1HG2  VAL 109          HG21      VAL 109   3.301  -0.664 -15.805
  848   2HG2  VAL 109          HG22      VAL 109   4.972  -0.555 -16.417
  849   3HG2  VAL 109          HG23      VAL 109   3.794   0.658 -16.886
  850    H    THR 110           H        THR 110   4.939  -3.094 -19.673
  851    HA   THR 110           HA       THR 110   2.810  -4.266 -21.295
  852    HB   THR 110           HB       THR 110   4.490  -4.181 -23.078
  853    HG1  THR 110           HG1      THR 110   6.292  -3.221 -21.087
  854   1HG2  THR 110          HG21      THR 110   4.580  -1.587 -21.465
  855   2HG2  THR 110          HG22      THR 110   4.881  -1.787 -23.204
  856   3HG2  THR 110          HG23      THR 110   3.261  -2.085 -22.550
  857    H    GLY 111           H        GLY 111   5.434  -5.442 -19.306
  858   1HA   GLY 111          HA2       GLY 111   6.080  -7.614 -18.828
  859   2HA   GLY 111          HA3       GLY 111   4.969  -8.243 -20.054
  860    H    SER 112           H        SER 112   7.000  -5.625 -21.196
  861    HA   SER 112           HA       SER 112   8.994  -7.479 -22.356
  862   1HB   SER 112          HB2       SER 112   7.415  -5.321 -23.822
  863   2HB   SER 112          HB3       SER 112   8.697  -6.335 -24.510
  864    HG   SER 112           HG       SER 112   6.593  -7.117 -24.998
  865    H    HIS 113           H        HIS 113  11.053  -6.578 -22.503
  866    HA   HIS 113           HA       HIS 113  11.564  -4.418 -20.733
  867   1HB   HIS 113          HB2       HIS 113  13.072  -6.411 -21.330
  868   2HB   HIS 113          HB3       HIS 113  13.528  -5.501 -22.776
  869    HD1  HIS 113           HD1      HIS 113  13.868  -5.452 -18.946
  870    HD2  HIS 113           HD2      HIS 113  15.060  -3.267 -22.361
  871    HE1  HIS 113           HE1      HIS 113  15.613  -3.759 -18.166
  872    H    GLY 114           H        GLY 114  12.227  -2.257 -21.131
  873   1HA   GLY 114          HA2       GLY 114  12.922  -1.016 -23.485
  874   2HA   GLY 114          HA3       GLY 114  11.147  -0.991 -23.474
  875    H    ASP 115           H        ASP 115  11.951   1.431 -23.412
  876    HA   ASP 115           HA       ASP 115  11.498   2.376 -20.685
  877   1HB   ASP 115          HB2       ASP 115  13.993   2.344 -20.981
  878   2HB   ASP 115          HB3       ASP 115  13.812   3.405 -22.373
  879    H    VAL 116           H        VAL 116  10.938   4.668 -20.734
  880    HA   VAL 116           HA       VAL 116   9.179   5.420 -22.968
  881    HB   VAL 116           HB       VAL 116   9.880   6.655 -20.267
  882   1HG1  VAL 116          HG11      VAL 116   9.037   8.489 -21.586
  883   2HG1  VAL 116          HG12      VAL 116   7.698   7.498 -22.206
  884   3HG1  VAL 116          HG13      VAL 116   7.760   7.975 -20.501
  885   1HG2  VAL 116          HG21      VAL 116   8.700   4.509 -20.035
  886   2HG2  VAL 116          HG22      VAL 116   7.666   5.847 -19.556
  887   3HG2  VAL 116          HG23      VAL 116   7.428   5.081 -21.140
  888    H    LEU 117           H        LEU 117   9.462   7.881 -23.661
  889    HA   LEU 117           HA       LEU 117  11.959   8.418 -24.921
  890   1HB   LEU 117          HB2       LEU 117   9.569   9.340 -25.350
  891   2HB   LEU 117          HB3       LEU 117   9.863  10.431 -24.005
  892    HG   LEU 117           HG       LEU 117  11.355  10.323 -26.666
  893   1HD1  LEU 117          HD11      LEU 117   9.063  11.259 -26.724
  894   2HD1  LEU 117          HD12      LEU 117   9.522  12.433 -25.470
  895   3HD1  LEU 117          HD13      LEU 117  10.290  12.485 -27.071
  896   1HD2  LEU 117          HD21      LEU 117  12.395  12.490 -25.968
  897   2HD2  LEU 117          HD22      LEU 117  11.873  12.154 -24.303
  898   3HD2  LEU 117          HD23      LEU 117  13.026  11.082 -25.150
  899    H    ASP 118           H        ASP 118  13.820   9.282 -23.977
  900    HA   ASP 118           HA       ASP 118  13.757  10.213 -21.156
  901   1HB   ASP 118          HB2       ASP 118  15.466   8.614 -21.479
  902   2HB   ASP 118          HB3       ASP 118  16.021   9.394 -22.966
  903    HA   PRO 119           HA       PRO 119  13.744  14.125 -23.449
  904   1HB   PRO 119          HB2       PRO 119  12.571  15.757 -21.620
  905   2HB   PRO 119          HB3       PRO 119  11.647  14.508 -22.476
  906   1HG   PRO 119          HG2       PRO 119  12.936  14.305 -19.726
  907   2HG   PRO 119          HG3       PRO 119  11.238  13.935 -20.163
  908   1HD   PRO 119          HD2       PRO 119  13.159  11.996 -20.020
  909   2HD   PRO 119          HD3       PRO 119  11.882  11.951 -21.274
  910    H    PHE 120           H        PHE 120  15.730  13.258 -20.767
  911    HA   PHE 120           HA       PHE 120  16.345  15.756 -19.701
  912   1HB   PHE 120          HB2       PHE 120  16.952  13.567 -18.722
  913   2HB   PHE 120          HB3       PHE 120  18.223  13.386 -19.926
  914    HD1  PHE 120           HD1      PHE 120  17.003  15.684 -17.191
  915    HD2  PHE 120           HD2      PHE 120  20.388  14.312 -19.500
  916    HE1  PHE 120           HE1      PHE 120  18.530  16.965 -15.722
  917    HE2  PHE 120           HE2      PHE 120  21.908  15.609 -18.028
  918    HZ   PHE 120           HZ       PHE 120  20.984  16.935 -16.136
  919    H    GLY 121           H        GLY 121  17.263  17.519 -20.510
  920   1HA   GLY 121          HA2       GLY 121  18.986  18.762 -21.504
  921   2HA   GLY 121          HA3       GLY 121  19.453  17.376 -22.492
  922    H    GLY 122           H        GLY 122  16.125  17.398 -22.773
  923   1HA   GLY 122          HA2       GLY 122  16.236  18.642 -25.416
  924   2HA   GLY 122          HA3       GLY 122  14.930  17.696 -24.699
  925    H    SER 123           H        SER 123  14.147  19.804 -26.054
  926    HA   SER 123           HA       SER 123  13.820  22.228 -24.482
  927   1HB   SER 123          HB2       SER 123  12.336  21.255 -26.964
  928   2HB   SER 123          HB3       SER 123  12.440  22.921 -26.364
  929    HG   SER 123           HG       SER 123  13.901  22.525 -28.085
  930    H    ILE 124           H        ILE 124  11.489  22.952 -24.028
  931    HA   ILE 124           HA       ILE 124  10.117  21.210 -22.332
  932    HB   ILE 124           HB       ILE 124   9.846  23.574 -22.185
  933   1HG1  ILE 124          HG12      ILE 124   7.448  23.897 -22.016
  934   2HG1  ILE 124          HG13      ILE 124   7.128  22.504 -23.046
  935   1HG2  ILE 124          HG21      ILE 124   8.642  24.963 -23.812
  936   2HG2  ILE 124          HG22      ILE 124  10.087  24.269 -24.536
  937   3HG2  ILE 124          HG23      ILE 124   8.488  23.585 -24.912
  938   1HD1  ILE 124          HD11      ILE 124   6.775  22.079 -20.614
  939   2HD1  ILE 124          HD12      ILE 124   7.957  20.981 -21.327
  940   3HD1  ILE 124          HD13      ILE 124   8.511  22.350 -20.335
  941    H    ASP 125           H        ASP 125   9.789  21.598 -25.829
  942    HA   ASP 125           HA       ASP 125   7.406  20.112 -26.128
  943   1HB   ASP 125          HB2       ASP 125   8.427  21.469 -27.931
  944   2HB   ASP 125          HB3       ASP 125   9.712  20.262 -28.094
  945    H    ILE 126           H        ILE 126  10.740  18.996 -25.668
  946    HA   ILE 126           HA       ILE 126  10.163  16.243 -26.425
  947    HB   ILE 126           HB       ILE 126  12.497  17.263 -24.785
  948   1HG1  ILE 126          HG12      ILE 126  12.521  18.561 -26.844
  949   2HG1  ILE 126          HG13      ILE 126  13.800  17.365 -26.880
  950   1HG2  ILE 126          HG21      ILE 126  12.156  14.784 -26.534
  951   2HG2  ILE 126          HG22      ILE 126  13.635  15.252 -25.664
  952   3HG2  ILE 126          HG23      ILE 126  12.165  14.817 -24.777
  953   1HD1  ILE 126          HD11      ILE 126  12.459  15.943 -28.421
  954   2HD1  ILE 126          HD12      ILE 126  11.140  17.137 -28.364
  955   3HD1  ILE 126          HD13      ILE 126  12.705  17.572 -29.067
  956    H    TYR 127           H        TYR 127  10.293  18.132 -23.408
  957    HA   TYR 127           HA       TYR 127   9.704  15.925 -21.679
  958   1HB   TYR 127          HB2       TYR 127   9.491  18.941 -21.419
  959   2HB   TYR 127          HB3       TYR 127   8.925  17.855 -20.160
  960    HD1  TYR 127           HD1      TYR 127  10.383  16.454 -18.919
  961    HD2  TYR 127           HD2      TYR 127  11.992  19.076 -21.897
  962    HE1  TYR 127           HE1      TYR 127  12.648  16.228 -17.878
  963    HE2  TYR 127           HE2      TYR 127  14.241  18.867 -20.904
  964    HH   TYR 127           HH       TYR 127  15.457  18.123 -19.060
  965    H    LYS 128           H        LYS 128   7.710  18.235 -23.472
  966    HA   LYS 128           HA       LYS 128   5.190  17.278 -22.517
  967   1HB   LYS 128          HB2       LYS 128   4.988  19.330 -23.440
  968   2HB   LYS 128          HB3       LYS 128   6.132  19.044 -24.717
  969   1HG   LYS 128          HG2       LYS 128   3.381  17.756 -24.810
  970   2HG   LYS 128          HG3       LYS 128   3.661  19.433 -25.302
  971   1HD   LYS 128          HD2       LYS 128   5.578  18.379 -26.804
  972   2HD   LYS 128          HD3       LYS 128   4.655  16.893 -26.583
  973   1HE   LYS 128          HE2       LYS 128   3.795  17.699 -28.558
  974   2HE   LYS 128          HE3       LYS 128   2.594  18.244 -27.383
  975   1HZ   LYS 128          HZ1       LYS 128   4.819  19.882 -28.489
  976   2HZ   LYS 128          HZ2       LYS 128   3.253  19.978 -28.971
  977   3HZ   LYS 128          HZ3       LYS 128   3.659  20.440 -27.459
  978    H    GLN 129           H        GLN 129   7.190  16.208 -25.291
  979    HA   GLN 129           HA       GLN 129   5.248  14.312 -26.158
  980   1HB   GLN 129          HB2       GLN 129   8.287  14.395 -26.469
  981   2HB   GLN 129          HB3       GLN 129   7.292  13.111 -27.163
  982   1HG   GLN 129          HG2       GLN 129   6.064  14.740 -28.531
  983   2HG   GLN 129          HG3       GLN 129   6.985  16.064 -27.829
  984   1HE2  GLN 129          HE22      GLN 129   8.452  16.819 -29.400
  985   2HE2  GLN 129          HE21      GLN 129   9.430  15.753 -30.385
  986    H    THR 130           H        THR 130   7.874  14.165 -23.791
  987    HA   THR 130           HA       THR 130   7.638  11.412 -23.164
  988    HB   THR 130           HB       THR 130   8.603  13.718 -21.414
  989    HG1  THR 130           HG1      THR 130   9.760  13.611 -23.321
  990   1HG2  THR 130          HG21      THR 130   9.204  10.740 -21.258
  991   2HG2  THR 130          HG22      THR 130   9.927  12.006 -20.245
  992   3HG2  THR 130          HG23      THR 130   8.212  11.645 -20.097
  993    H    ARG 131           H        ARG 131   6.063  14.293 -21.693
  994    HA   ARG 131           HA       ARG 131   4.959  12.754 -19.592
  995   1HB   ARG 131          HB2       ARG 131   3.799  14.635 -18.859
  996   2HB   ARG 131          HB3       ARG 131   5.180  15.327 -19.704
  997   1HG   ARG 131          HG2       ARG 131   3.630  15.533 -21.735
  998   2HG   ARG 131          HG3       ARG 131   2.290  15.114 -20.681
  999   1HD   ARG 131          HD2       ARG 131   2.692  17.145 -19.345
 1000   2HD   ARG 131          HD3       ARG 131   4.154  17.471 -20.292
 1001    HE   ARG 131           HE       ARG 131   1.814  17.213 -21.973
 1002   1HH1  ARG 131          HH11      ARG 131   3.287  19.582 -19.786
 1003   2HH1  ARG 131          HH12      ARG 131   3.207  20.891 -20.947
 1004   1HH2  ARG 131          HH21      ARG 131   1.375  19.063 -23.322
 1005   2HH2  ARG 131          HH22      ARG 131   1.960  20.617 -22.848
 1006    H    ASP 132           H        ASP 132   3.791  13.323 -22.877
 1007    HA   ASP 132           HA       ASP 132   1.137  12.344 -22.403
 1008   1HB   ASP 132          HB2       ASP 132   1.665  13.712 -24.360
 1009   2HB   ASP 132          HB3       ASP 132   2.796  12.490 -24.948
 1010    H    GLU 133           H        GLU 133   4.167  10.800 -23.477
 1011    HA   GLU 133           HA       GLU 133   2.979   8.210 -23.894
 1012   1HB   GLU 133          HB2       GLU 133   5.083   8.932 -24.994
 1013   2HB   GLU 133          HB3       GLU 133   5.862   9.100 -23.428
 1014   1HG   GLU 133          HG2       GLU 133   6.602   7.061 -24.485
 1015   2HG   GLU 133          HG3       GLU 133   5.699   6.685 -23.026
 1016    H    LEU 134           H        LEU 134   4.690   9.806 -21.263
 1017    HA   LEU 134           HA       LEU 134   4.873   7.629 -19.490
 1018   1HB   LEU 134          HB2       LEU 134   6.197   9.765 -19.431
 1019   2HB   LEU 134          HB3       LEU 134   4.738  10.616 -18.914
 1020    HG   LEU 134           HG       LEU 134   4.724   9.310 -16.815
 1021   1HD1  LEU 134          HD11      LEU 134   6.766   7.982 -16.209
 1022   2HD1  LEU 134          HD12      LEU 134   5.846   7.234 -17.513
 1023   3HD1  LEU 134          HD13      LEU 134   7.335   8.136 -17.882
 1024   1HD2  LEU 134          HD21      LEU 134   7.345  10.723 -17.480
 1025   2HD2  LEU 134          HD22      LEU 134   5.848  11.482 -16.902
 1026   3HD2  LEU 134          HD23      LEU 134   6.750  10.391 -15.844
 1027    H    GLU 135           H        GLU 135   2.304  10.102 -19.938
 1028    HA   GLU 135           HA       GLU 135   0.763   9.237 -17.717
 1029   1HB   GLU 135          HB2       GLU 135   0.390  11.387 -19.027
 1030   2HB   GLU 135          HB3       GLU 135  -0.346  10.408 -20.306
 1031   1HG   GLU 135          HG2       GLU 135  -1.962   9.510 -18.556
 1032   2HG   GLU 135          HG3       GLU 135  -1.248  10.633 -17.403
 1033    H    GLU 136           H        GLU 136   0.802   8.202 -21.139
 1034    HA   GLU 136           HA       GLU 136  -1.441   6.478 -20.863
 1035   1HB   GLU 136          HB2       GLU 136  -0.561   7.365 -23.028
 1036   2HB   GLU 136          HB3       GLU 136   0.838   6.289 -22.886
 1037   1HG   GLU 136          HG2       GLU 136  -0.651   4.319 -22.940
 1038   2HG   GLU 136          HG3       GLU 136  -2.071   5.367 -22.959
 1039    H    LEU 137           H        LEU 137   2.040   5.941 -20.438
 1040    HA   LEU 137           HA       LEU 137   1.862   3.139 -19.894
 1041   1HB   LEU 137          HB2       LEU 137   4.034   4.385 -20.333
 1042   2HB   LEU 137          HB3       LEU 137   3.817   5.214 -18.796
 1043    HG   LEU 137           HG       LEU 137   3.685   2.754 -17.779
 1044   1HD1  LEU 137          HD11      LEU 137   5.088   1.150 -19.006
 1045   2HD1  LEU 137          HD12      LEU 137   3.653   1.578 -19.960
 1046   3HD1  LEU 137          HD13      LEU 137   5.233   2.292 -20.354
 1047   1HD2  LEU 137          HD21      LEU 137   5.400   4.376 -17.220
 1048   2HD2  LEU 137          HD22      LEU 137   6.039   2.739 -17.385
 1049   3HD2  LEU 137          HD23      LEU 137   6.305   3.934 -18.690
 1050    H    LEU 138           H        LEU 138   1.754   6.023 -17.795
 1051    HA   LEU 138           HA       LEU 138   1.685   4.427 -15.436
 1052   1HB   LEU 138          HB2       LEU 138   1.260   7.366 -15.935
 1053   2HB   LEU 138          HB3       LEU 138   1.103   6.668 -14.333
 1054    HG   LEU 138           HG       LEU 138   3.628   6.464 -16.037
 1055   1HD1  LEU 138          HD11      LEU 138   3.117   8.755 -15.315
 1056   2HD1  LEU 138          HD12      LEU 138   3.030   8.217 -13.622
 1057   3HD1  LEU 138          HD13      LEU 138   4.563   8.120 -14.517
 1058   1HD2  LEU 138          HD21      LEU 138   3.576   4.599 -14.494
 1059   2HD2  LEU 138          HD22      LEU 138   4.750   5.784 -13.941
 1060   3HD2  LEU 138          HD23      LEU 138   3.175   5.673 -13.135
 1061    H    ARG 139           H        ARG 139  -0.908   5.625 -17.494
 1062    HA   ARG 139           HA       ARG 139  -3.005   4.981 -15.643
 1063   1HB   ARG 139          HB2       ARG 139  -2.900   5.095 -18.682
 1064   2HB   ARG 139          HB3       ARG 139  -4.371   4.670 -17.795
 1065   1HG   ARG 139          HG2       ARG 139  -4.363   6.817 -16.615
 1066   2HG   ARG 139          HG3       ARG 139  -2.845   7.283 -17.397
 1067   1HD   ARG 139          HD2       ARG 139  -3.947   7.114 -19.620
 1068   2HD   ARG 139          HD3       ARG 139  -5.474   6.711 -18.831
 1069    HE   ARG 139           HE       ARG 139  -4.129   9.337 -18.991
 1070   1HH1  ARG 139          HH21      ARG 139  -6.808   7.544 -17.462
 1071   2HH1  ARG 139          HH22      ARG 139  -7.679   8.978 -17.061
 1072   1HH2  ARG 139          HH11      ARG 139  -5.187  11.113 -18.486
 1073   2HH2  ARG 139          HH12      ARG 139  -6.723  11.122 -17.639
 1074    H    GLN 140           H        GLN 140  -1.146   2.990 -17.988
 1075    HA   GLN 140           HA       GLN 140  -2.640   0.617 -17.263
 1076   1HB   GLN 140          HB2       GLN 140   0.034   0.858 -18.647
 1077   2HB   GLN 140          HB3       GLN 140  -0.917  -0.634 -18.450
 1078   1HG   GLN 140          HG2       GLN 140  -2.763   0.519 -19.761
 1079   2HG   GLN 140          HG3       GLN 140  -1.594   1.806 -20.117
 1080   1HE2  GLN 140          HE22      GLN 140   0.612   0.957 -21.052
 1081   2HE2  GLN 140          HE21      GLN 140   0.507  -0.355 -22.196
 1082    H    LEU 141           H        LEU 141   0.266   2.238 -15.979
 1083    HA   LEU 141           HA       LEU 141   1.048   0.135 -14.240
 1084   1HB   LEU 141          HB2       LEU 141   2.136   2.481 -14.771
 1085   2HB   LEU 141          HB3       LEU 141   1.216   3.010 -13.358
 1086    HG   LEU 141           HG       LEU 141   2.620   0.573 -12.670
 1087   1HD1  LEU 141          HD11      LEU 141   4.870   1.056 -13.110
 1088   2HD1  LEU 141          HD12      LEU 141   4.041   1.195 -14.638
 1089   3HD1  LEU 141          HD13      LEU 141   4.515   2.663 -13.765
 1090   1HD2  LEU 141          HD21      LEU 141   3.151   3.445 -11.814
 1091   2HD2  LEU 141          HD22      LEU 141   1.975   2.344 -11.070
 1092   3HD2  LEU 141          HD23      LEU 141   3.704   1.972 -10.987
 1093    H    ALA 142           H        ALA 142  -1.355   2.748 -13.852
 1094    HA   ALA 142           HA       ALA 142  -2.237   1.978 -11.257
 1095   1HB   ALA 142          HB1       ALA 142  -2.795   4.161 -12.235
 1096   2HB   ALA 142          HB2       ALA 142  -3.806   3.384 -13.467
 1097   3HB   ALA 142          HB3       ALA 142  -4.257   3.292 -11.759
 1098    H    LYS 143           H        LYS 143  -3.258   0.968 -14.523
 1099    HA   LYS 143           HA       LYS 143  -5.331  -0.777 -13.751
 1100   1HB   LYS 143          HB2       LYS 143  -4.772  -0.032 -16.083
 1101   2HB   LYS 143          HB3       LYS 143  -3.402  -1.149 -16.075
 1102   1HG   LYS 143          HG2       LYS 143  -4.916  -3.056 -15.790
 1103   2HG   LYS 143          HG3       LYS 143  -6.308  -1.944 -15.818
 1104   1HD   LYS 143          HD2       LYS 143  -5.650  -1.192 -18.094
 1105   2HD   LYS 143          HD3       LYS 143  -4.254  -2.290 -18.062
 1106   1HE   LYS 143          HE2       LYS 143  -5.797  -4.231 -17.826
 1107   2HE   LYS 143          HE3       LYS 143  -7.185  -3.136 -17.834
 1108   1HZ   LYS 143          HZ1       LYS 143  -5.299  -3.507 -20.092
 1109   2HZ   LYS 143          HZ2       LYS 143  -6.813  -4.102 -20.009
 1110   3HZ   LYS 143          HZ3       LYS 143  -6.585  -2.494 -20.096
 1111    H    GLN 144           H        GLN 144  -1.823  -1.431 -14.049
 1112    HA   GLN 144           HA       GLN 144  -1.911  -4.146 -13.201
 1113   1HB   GLN 144          HB2       GLN 144   0.288  -2.067 -12.842
 1114   2HB   GLN 144          HB3       GLN 144   0.479  -3.763 -12.459
 1115   1HG   GLN 144          HG2       GLN 144  -0.204  -2.796 -15.261
 1116   2HG   GLN 144          HG3       GLN 144   1.436  -2.965 -14.657
 1117   1HE2  GLN 144          HE22      GLN 144   2.415  -4.955 -15.073
 1118   2HE2  GLN 144          HE21      GLN 144   1.530  -6.435 -15.367
 1119    H    LEU 145           H        LEU 145  -1.418  -1.124 -11.281
 1120    HA   LEU 145           HA       LEU 145  -1.227  -2.555  -8.846
 1121   1HB   LEU 145          HB2       LEU 145  -1.638   0.355  -9.465
 1122   2HB   LEU 145          HB3       LEU 145  -1.477  -0.250  -7.814
 1123    HG   LEU 145           HG       LEU 145   0.629  -0.632  -9.999
 1124   1HD1  LEU 145          HD11      LEU 145   0.658   1.196  -7.569
 1125   2HD1  LEU 145          HD12      LEU 145   1.949   0.999  -8.779
 1126   3HD1  LEU 145          HD13      LEU 145   0.412   1.702  -9.260
 1127   1HD2  LEU 145          HD21      LEU 145   0.828  -2.449  -8.400
 1128   2HD2  LEU 145          HD22      LEU 145   2.116  -1.284  -8.103
 1129   3HD2  LEU 145          HD23      LEU 145   0.693  -1.324  -7.034
 1130    H    LYS 146           H        LYS 146  -4.064  -1.466 -10.546
 1131    HA   LYS 146           HA       LYS 146  -5.836  -1.890  -8.226
 1132   1HB   LYS 146          HB2       LYS 146  -6.115  -1.097 -11.116
 1133   2HB   LYS 146          HB3       LYS 146  -7.493  -1.921 -10.390
 1134   1HG   LYS 146          HG2       LYS 146  -6.222   0.625  -9.314
 1135   2HG   LYS 146          HG3       LYS 146  -7.631   0.553 -10.368
 1136   1HD   LYS 146          HD2       LYS 146  -8.829  -0.811  -8.626
 1137   2HD   LYS 146          HD3       LYS 146  -7.460  -0.546  -7.527
 1138   1HE   LYS 146          HE2       LYS 146  -7.789   1.911  -7.711
 1139   2HE   LYS 146          HE3       LYS 146  -9.130   1.653  -8.830
 1140   1HZ   LYS 146          HZ1       LYS 146 -10.326   0.532  -7.043
 1141   2HZ   LYS 146          HZ2       LYS 146  -9.091   0.773  -5.998
 1142   3HZ   LYS 146          HZ3       LYS 146  -9.922   2.044  -6.595
 1143    H    LYS 147           H        LYS 147  -4.611  -3.704 -11.064
 1144    HA   LYS 147           HA       LYS 147  -6.375  -5.883 -10.848
 1145   1HB   LYS 147          HB2       LYS 147  -4.986  -5.358 -12.820
 1146   2HB   LYS 147          HB3       LYS 147  -3.527  -5.780 -11.918
 1147   1HG   LYS 147          HG2       LYS 147  -4.473  -8.136 -11.693
 1148   2HG   LYS 147          HG3       LYS 147  -5.718  -7.656 -12.856
 1149   1HD   LYS 147          HD2       LYS 147  -2.692  -7.562 -13.286
 1150   2HD   LYS 147          HD3       LYS 147  -3.771  -8.817 -13.906
 1151   1HE   LYS 147          HE2       LYS 147  -4.898  -7.257 -15.371
 1152   2HE   LYS 147          HE3       LYS 147  -4.076  -5.872 -14.640
 1153   1HZ   LYS 147          HZ1       LYS 147  -2.657  -8.003 -16.120
 1154   2HZ   LYS 147          HZ2       LYS 147  -3.089  -6.567 -16.759
 1155   3HZ   LYS 147          HZ3       LYS 147  -2.007  -6.602 -15.538
 1156    H    ASP 148           H        ASP 148  -3.150  -5.335  -9.349
 1157    HA   ASP 148           HA       ASP 148  -3.925  -7.082  -7.126
 1158   1HB   ASP 148          HB2       ASP 148  -2.565  -8.530  -8.794
 1159   2HB   ASP 148          HB3       ASP 148  -1.195  -7.457  -8.458
 1160    H    ARG 149           H        ARG 149  -2.285  -6.667  -5.292
 1161    HA   ARG 149           HA       ARG 149  -1.633  -3.859  -5.097
 1162   1HB   ARG 149          HB2       ARG 149  -0.573  -4.454  -2.932
 1163   2HB   ARG 149          HB3       ARG 149  -2.221  -5.011  -3.120
 1164   1HG   ARG 149          HG2       ARG 149  -1.118  -6.761  -2.024
 1165   2HG   ARG 149          HG3       ARG 149  -1.341  -7.309  -3.667
 1166   1HD   ARG 149          HD2       ARG 149   0.806  -8.009  -3.187
 1167   2HD   ARG 149          HD3       ARG 149   1.134  -6.537  -4.064
 1168    HE   ARG 149           HE       ARG 149   1.203  -6.887  -1.096
 1169   1HH1  ARG 149          HH21      ARG 149   2.265  -4.836  -3.782
 1170   2HH1  ARG 149          HH22      ARG 149   3.932  -4.811  -3.303
 1171   1HH2  ARG 149          HH11      ARG 149   3.337  -6.617  -0.277
 1172   2HH2  ARG 149          HH12      ARG 149   4.527  -5.758  -1.200
 1173    H    ARG 150           H        ARG 150  -0.195  -5.803  -7.178
 1174    HA   ARG 150           HA       ARG 150   2.116  -4.216  -7.440
 1175   1HB   ARG 150          HB2       ARG 150   3.003  -5.775  -5.696
 1176   2HB   ARG 150          HB3       ARG 150   2.603  -7.141  -6.733
 1177   1HG   ARG 150          HG2       ARG 150   4.153  -6.025  -8.493
 1178   2HG   ARG 150          HG3       ARG 150   4.681  -4.945  -7.192
 1179   1HD   ARG 150          HD2       ARG 150   4.695  -7.979  -7.092
 1180   2HD   ARG 150          HD3       ARG 150   6.109  -7.006  -7.553
 1181    HE   ARG 150           HE       ARG 150   5.527  -5.951  -5.103
 1182   1HH1  ARG 150          HH11      ARG 150   6.025  -9.309  -6.188
 1183   2HH1  ARG 150          HH12      ARG 150   6.590  -9.857  -4.656
 1184   1HH2  ARG 150          HH21      ARG 150   6.244  -6.684  -3.073
 1185   2HH2  ARG 150          HH22      ARG 150   6.728  -8.335  -2.855
  Start of MODEL   10
    1   1H    MET   1           H1       MET   1   1.034   0.063  -0.268
    2   2H    MET   1           H2       MET   1   1.074  -1.581  -0.315
    3   3H    MET   1           H3       MET   1   2.267  -0.743   0.437
    4    HA   MET   1           HA       MET   1   3.074  -1.534  -1.655
    5   1HB   MET   1          HB2       MET   1   0.871  -1.654  -2.786
    6   2HB   MET   1          HB3       MET   1   0.790   0.109  -2.846
    7   1HG   MET   1          HG2       MET   1   1.517  -0.930  -4.977
    8   2HG   MET   1          HG3       MET   1   2.713   0.197  -4.348
    9   1HE   MET   1          HE1       MET   1   3.786  -1.396  -6.542
   10   2HE   MET   1          HE2       MET   1   4.408  -3.043  -6.257
   11   3HE   MET   1          HE3       MET   1   2.667  -2.779  -6.392
   12    H    ASP   2           H        ASP   2   4.954  -0.399  -2.138
   13    HA   ASP   2           HA       ASP   2   4.936   2.534  -1.898
   14   1HB   ASP   2          HB2       ASP   2   5.448   1.526   0.338
   15   2HB   ASP   2          HB3       ASP   2   6.864   0.758  -0.387
   16    H    ILE   3           H        ILE   3   6.069   3.331  -3.657
   17    HA   ILE   3           HA       ILE   3   7.688   1.402  -5.213
   18    HB   ILE   3           HB       ILE   3   5.952   3.613  -6.313
   19   1HG1  ILE   3          HG12      ILE   3   5.188   0.681  -6.024
   20   2HG1  ILE   3          HG13      ILE   3   4.474   2.035  -5.160
   21   1HG2  ILE   3          HG21      ILE   3   6.195   2.360  -8.479
   22   2HG2  ILE   3          HG22      ILE   3   7.687   3.019  -7.866
   23   3HG2  ILE   3          HG23      ILE   3   7.360   1.289  -7.669
   24   1HD1  ILE   3          HD11      ILE   3   3.679   2.991  -7.331
   25   2HD1  ILE   3          HD12      ILE   3   4.182   1.473  -8.118
   26   3HD1  ILE   3          HD13      ILE   3   2.956   1.447  -6.844
   27    H    ILE   4           H        ILE   4   9.622   2.188  -6.187
   28    HA   ILE   4           HA       ILE   4  10.179   5.101  -5.908
   29    HB   ILE   4           HB       ILE   4  12.254   2.887  -5.822
   30   1HG1  ILE   4          HG12      ILE   4  11.494   4.726  -3.530
   31   2HG1  ILE   4          HG13      ILE   4  10.778   3.130  -3.718
   32   1HG2  ILE   4          HG21      ILE   4  13.047   5.027  -6.843
   33   2HG2  ILE   4          HG22      ILE   4  12.521   5.909  -5.399
   34   3HG2  ILE   4          HG23      ILE   4  13.837   4.722  -5.310
   35   1HD1  ILE   4          HD11      ILE   4  12.622   3.027  -2.167
   36   2HD1  ILE   4          HD12      ILE   4  12.990   2.064  -3.603
   37   3HD1  ILE   4          HD13      ILE   4  13.748   3.655  -3.375
   38    H    PHE   5           H        PHE   5  10.049   6.013  -7.896
   39    HA   PHE   5           HA       PHE   5  10.656   4.473 -10.335
   40   1HB   PHE   5          HB2       PHE   5  10.035   7.429  -9.867
   41   2HB   PHE   5          HB3       PHE   5  10.307   6.697 -11.437
   42    HD1  PHE   5           HD1      PHE   5   7.883   7.219  -8.735
   43    HD2  PHE   5           HD2      PHE   5   8.677   5.038 -12.377
   44    HE1  PHE   5           HE1      PHE   5   5.469   6.669  -8.941
   45    HE2  PHE   5           HE2      PHE   5   6.263   4.524 -12.589
   46    HZ   PHE   5           HZ       PHE   5   4.656   5.319 -10.866
   47    H    VAL   6           H        VAL   6  12.760   4.543 -11.278
   48    HA   VAL   6           HA       VAL   6  14.643   6.455 -10.071
   49    HB   VAL   6           HB       VAL   6  14.495   4.514  -8.600
   50   1HG1  VAL   6          HG11      VAL   6  15.368   2.361  -9.155
   51   2HG1  VAL   6          HG12      VAL   6  14.006   2.738 -10.208
   52   3HG1  VAL   6          HG13      VAL   6  15.680   2.857 -10.830
   53   1HG2  VAL   6          HG21      VAL   6  17.066   5.169  -9.978
   54   2HG2  VAL   6          HG22      VAL   6  16.480   5.625  -8.369
   55   3HG2  VAL   6          HG23      VAL   6  17.022   3.980  -8.657
   56    H    CYS   7           H        CYS   7  16.204   7.189 -11.268
   57    HA   CYS   7           HA       CYS   7  16.885   6.031 -13.869
   58   1HB   CYS   7          HB2       CYS   7  14.969   7.755 -14.217
   59   2HB   CYS   7          HB3       CYS   7  16.084   8.971 -13.594
   60    HG   CYS   7           HG       CYS   7  16.443   6.931 -16.206
   61    H    THR   8           H        THR   8  19.023   7.000 -14.535
   62    HA   THR   8           HA       THR   8  20.718   6.622 -12.528
   63    HB   THR   8           HB       THR   8  21.445   8.342 -14.916
   64    HG1  THR   8           HG1      THR   8  21.360   6.496 -16.150
   65   1HG2  THR   8          HG21      THR   8  23.288   7.694 -13.344
   66   2HG2  THR   8          HG22      THR   8  22.876   5.981 -13.603
   67   3HG2  THR   8          HG23      THR   8  23.481   6.972 -14.947
   68    H    GLY   9           H        GLY   9  19.729   9.918 -13.594
   69   1HA   GLY   9          HA2       GLY   9  21.139  11.101 -11.256
   70   2HA   GLY   9          HA3       GLY   9  20.729  11.902 -12.783
   71    H    ASN  10           H        ASN  10  18.270   9.848 -11.536
   72    HA   ASN  10           HA       ASN  10  16.175  10.087 -10.900
   73   1HB   ASN  10          HB2       ASN  10  17.115  10.819  -8.759
   74   2HB   ASN  10          HB3       ASN  10  17.129  12.492  -9.309
   75   1HD2  ASN  10          HD22      ASN  10  15.458  13.572  -8.255
   76   2HD2  ASN  10          HD21      ASN  10  13.890  12.867  -7.920
   77    H    THR  11           H        THR  11  17.219  13.500 -11.471
   78    HA   THR  11           HA       THR  11  14.661  14.490 -11.939
   79    HB   THR  11           HB       THR  11  15.938  16.432 -12.925
   80    HG1  THR  11           HG1      THR  11  18.184  16.283 -12.891
   81   1HG2  THR  11          HG21      THR  11  15.541  16.175 -10.456
   82   2HG2  THR  11          HG22      THR  11  17.105  15.342 -10.319
   83   3HG2  THR  11          HG23      THR  11  17.038  17.038 -10.837
   84    H    CYS  12           H        CYS  12  16.702  12.788 -14.209
   85    HA   CYS  12           HA       CYS  12  15.952  13.807 -16.642
   86   1HB   CYS  12          HB2       CYS  12  16.311  10.850 -16.043
   87   2HB   CYS  12          HB3       CYS  12  16.639  11.676 -17.568
   88    HG   CYS  12           HG       CYS  12  18.551  13.231 -16.636
   89    H    ARG  13           H        ARG  13  14.004  11.585 -14.627
   90    HA   ARG  13           HA       ARG  13  11.628  12.392 -16.029
   91   1HB   ARG  13          HB2       ARG  13  12.757  10.466 -17.515
   92   2HB   ARG  13          HB3       ARG  13  12.076   9.399 -16.288
   93   1HG   ARG  13          HG2       ARG  13   9.821  10.568 -16.722
   94   2HG   ARG  13          HG3       ARG  13  10.606  11.398 -18.067
   95   1HD   ARG  13          HD2       ARG  13  10.132   8.410 -17.727
   96   2HD   ARG  13          HD3       ARG  13   9.375   9.485 -18.892
   97    HE   ARG  13           HE       ARG  13  11.371   9.628 -20.164
   98   1HH1  ARG  13          HH22      ARG  13  11.567   7.111 -17.606
   99   2HH1  ARG  13          HH21      ARG  13  12.620   6.140 -18.591
  100   1HH2  ARG  13          HH12      ARG  13  12.977   8.406 -21.180
  101   2HH2  ARG  13          HH11      ARG  13  13.643   6.982 -20.422
  102    H    SER  14           H        SER  14  13.172  10.215 -13.621
  103    HA   SER  14           HA       SER  14  10.981   8.951 -12.672
  104   1HB   SER  14          HB2       SER  14  13.285   9.989 -11.030
  105   2HB   SER  14          HB3       SER  14  12.268   8.569 -10.678
  106    HG   SER  14           HG       SER  14  14.319   8.182 -11.768
  107    HA   PRO  15           HA       PRO  15   9.657  12.272  -9.624
  108   1HB   PRO  15          HB2       PRO  15  10.204  14.914  -9.917
  109   2HB   PRO  15          HB3       PRO  15  11.260  13.771  -9.035
  110   1HG   PRO  15          HG2       PRO  15  11.563  14.719 -11.896
  111   2HG   PRO  15          HG3       PRO  15  12.808  14.644 -10.607
  112   1HD   PRO  15          HD2       PRO  15  12.541  12.686 -12.468
  113   2HD   PRO  15          HD3       PRO  15  12.976  12.297 -10.779
  114    H    MET  16           H        MET  16   9.767  12.941 -13.126
  115    HA   MET  16           HA       MET  16   7.211  14.270 -13.230
  116   1HB   MET  16          HB2       MET  16   8.520  12.548 -15.378
  117   2HB   MET  16          HB3       MET  16   7.146  13.614 -15.583
  118   1HG   MET  16          HG2       MET  16   8.490  15.574 -15.270
  119   2HG   MET  16          HG3       MET  16   9.868  14.629 -14.702
  120   1HE   MET  16          HE1       MET  16   7.538  15.362 -17.764
  121   2HE   MET  16          HE2       MET  16   8.429  14.633 -19.118
  122   3HE   MET  16          HE3       MET  16   7.645  13.581 -17.917
  123    H    ALA  17           H        ALA  17   8.408  10.920 -13.467
  124    HA   ALA  17           HA       ALA  17   5.863   9.732 -13.866
  125   1HB   ALA  17          HB1       ALA  17   6.973   7.612 -13.356
  126   2HB   ALA  17          HB2       ALA  17   8.064   8.597 -14.351
  127   3HB   ALA  17          HB3       ALA  17   8.335   8.454 -12.602
  128    H    GLU  18           H        GLU  18   7.736  10.385 -10.919
  129    HA   GLU  18           HA       GLU  18   5.961   9.219  -9.078
  130   1HB   GLU  18          HB2       GLU  18   8.309  10.127  -8.642
  131   2HB   GLU  18          HB3       GLU  18   7.628  11.755  -8.719
  132   1HG   GLU  18          HG2       GLU  18   6.027  10.923  -6.822
  133   2HG   GLU  18          HG3       GLU  18   7.197   9.604  -6.648
  134    H    ALA  19           H        ALA  19   6.023  12.539 -10.392
  135    HA   ALA  19           HA       ALA  19   3.845  13.397  -8.763
  136   1HB   ALA  19          HB1       ALA  19   3.979  15.445 -10.100
  137   2HB   ALA  19          HB2       ALA  19   5.604  14.885  -9.720
  138   3HB   ALA  19          HB3       ALA  19   4.932  14.611 -11.347
  139    H    LEU  20           H        LEU  20   4.060  12.141 -12.066
  140    HA   LEU  20           HA       LEU  20   1.279  12.538 -12.684
  141   1HB   LEU  20          HB2       LEU  20   3.401  10.696 -13.847
  142   2HB   LEU  20          HB3       LEU  20   1.710  10.543 -14.302
  143    HG   LEU  20           HG       LEU  20   3.562  12.851 -14.925
  144   1HD1  LEU  20          HD11      LEU  20   1.897  11.007 -16.670
  145   2HD1  LEU  20          HD12      LEU  20   3.015  12.262 -17.237
  146   3HD1  LEU  20          HD13      LEU  20   3.633  10.840 -16.371
  147   1HD2  LEU  20          HD21      LEU  20   0.536  12.703 -15.334
  148   2HD2  LEU  20          HD22      LEU  20   1.425  13.900 -14.361
  149   3HD2  LEU  20          HD23      LEU  20   1.616  13.884 -16.111
  150    H    PHE  21           H        PHE  21   3.118   9.783 -11.267
  151    HA   PHE  21           HA       PHE  21   0.733   8.214 -11.321
  152   1HB   PHE  21          HB2       PHE  21   3.091   7.253 -11.261
  153   2HB   PHE  21          HB3       PHE  21   3.070   7.560  -9.519
  154    HD1  PHE  21           HD1      PHE  21   1.197   5.916 -12.319
  155    HD2  PHE  21           HD2      PHE  21   1.766   6.063  -8.056
  156    HE1  PHE  21           HE1      PHE  21  -0.348   4.018 -12.048
  157    HE2  PHE  21           HE2      PHE  21   0.279   4.086  -7.804
  158    HZ   PHE  21           HZ       PHE  21  -0.807   3.088  -9.800
  159    H    LYS  22           H        LYS  22   2.154  10.328  -8.839
  160    HA   LYS  22           HA       LYS  22   0.294   9.641  -6.784
  161   1HB   LYS  22          HB2       LYS  22   1.765  12.227  -7.460
  162   2HB   LYS  22          HB3       LYS  22   0.674  12.108  -6.074
  163   1HG   LYS  22          HG2       LYS  22   2.010  10.375  -5.040
  164   2HG   LYS  22          HG3       LYS  22   3.036  10.239  -6.464
  165   1HD   LYS  22          HD2       LYS  22   3.938  12.475  -6.146
  166   2HD   LYS  22          HD3       LYS  22   2.794  12.797  -4.824
  167   1HE   LYS  22          HE2       LYS  22   3.815  11.037  -3.455
  168   2HE   LYS  22          HE3       LYS  22   4.912  10.603  -4.772
  169   1HZ   LYS  22          HZ1       LYS  22   5.908  12.034  -3.053
  170   2HZ   LYS  22          HZ2       LYS  22   6.044  12.657  -4.550
  171   3HZ   LYS  22          HZ3       LYS  22   4.929  13.266  -3.487
  172    H    SER  23           H        SER  23   0.110  12.075  -9.409
  173    HA   SER  23           HA       SER  23  -2.499  12.908  -8.694
  174   1HB   SER  23          HB2       SER  23  -1.155  12.943 -11.432
  175   2HB   SER  23          HB3       SER  23  -2.528  13.945 -10.925
  176    HG   SER  23           HG       SER  23   0.159  13.989 -10.032
  177    H    ILE  24           H        ILE  24  -1.474  10.286 -10.868
  178    HA   ILE  24           HA       ILE  24  -4.146   9.733 -11.751
  179    HB   ILE  24           HB       ILE  24  -1.613   8.072 -11.952
  180   1HG1  ILE  24          HG12      ILE  24  -3.068   9.570 -14.193
  181   2HG1  ILE  24          HG13      ILE  24  -1.870  10.390 -13.221
  182   1HG2  ILE  24          HG21      ILE  24  -4.361   7.722 -13.258
  183   2HG2  ILE  24          HG22      ILE  24  -2.904   6.822 -13.754
  184   3HG2  ILE  24          HG23      ILE  24  -3.572   6.586 -12.143
  185   1HD1  ILE  24          HD11      ILE  24  -0.163   8.696 -13.851
  186   2HD1  ILE  24          HD12      ILE  24  -1.350   7.934 -14.941
  187   3HD1  ILE  24          HD13      ILE  24  -0.811   9.596 -15.231
  188    H    ALA  25           H        ALA  25  -2.122   8.506  -9.080
  189    HA   ALA  25           HA       ALA  25  -3.884   6.401  -8.341
  190   1HB   ALA  25          HB1       ALA  25  -1.979   8.030  -6.601
  191   2HB   ALA  25          HB2       ALA  25  -2.761   6.506  -6.135
  192   3HB   ALA  25          HB3       ALA  25  -1.587   6.523  -7.465
  193    H    GLU  26           H        GLU  26  -3.732   9.863  -7.465
  194    HA   GLU  26           HA       GLU  26  -5.996   9.761  -5.740
  195   1HB   GLU  26          HB2       GLU  26  -4.699  12.053  -7.263
  196   2HB   GLU  26          HB3       GLU  26  -6.112  12.275  -6.225
  197   1HG   GLU  26          HG2       GLU  26  -4.872  11.323  -4.303
  198   2HG   GLU  26          HG3       GLU  26  -3.437  11.140  -5.305
  199    H    ARG  27           H        ARG  27  -5.763  10.247  -9.284
  200    HA   ARG  27           HA       ARG  27  -8.557  10.748  -9.674
  201   1HB   ARG  27          HB2       ARG  27  -6.775   9.196 -11.611
  202   2HB   ARG  27          HB3       ARG  27  -8.322   9.933 -11.956
  203   1HG   ARG  27          HG2       ARG  27  -5.662  11.279 -11.595
  204   2HG   ARG  27          HG3       ARG  27  -6.753  11.325 -12.952
  205   1HD   ARG  27          HD2       ARG  27  -8.393  12.628 -11.597
  206   2HD   ARG  27          HD3       ARG  27  -7.284  12.612 -10.229
  207    HE   ARG  27           HE       ARG  27  -7.080  14.169 -12.715
  208   1HH1  ARG  27          HH21      ARG  27  -5.268  13.141  -9.830
  209   2HH1  ARG  27          HH22      ARG  27  -4.517  14.684  -9.596
  210   1HH2  ARG  27          HH11      ARG  27  -5.866  16.105 -12.554
  211   2HH2  ARG  27          HH12      ARG  27  -4.721  16.326 -11.288
  212    H    GLU  28           H        GLU  28  -6.714   7.725  -9.550
  213    HA   GLU  28           HA       GLU  28  -9.028   6.088 -10.131
  214   1HB   GLU  28          HB2       GLU  28  -6.121   5.552  -9.390
  215   2HB   GLU  28          HB3       GLU  28  -7.261   4.240  -9.618
  216   1HG   GLU  28          HG2       GLU  28  -6.591   6.350 -11.716
  217   2HG   GLU  28          HG3       GLU  28  -5.952   4.715 -11.661
  218    H    GLY  29           H        GLY  29  -7.679   7.298  -7.161
  219   1HA   GLY  29          HA2       GLY  29  -8.358   6.996  -4.982
  220   2HA   GLY  29          HA3       GLY  29  -9.636   5.881  -5.508
  221    H    LEU  30           H        LEU  30  -6.202   5.590  -6.419
  222    HA   LEU  30           HA       LEU  30  -6.079   2.858  -5.320
  223   1HB   LEU  30          HB2       LEU  30  -4.558   4.470  -7.289
  224   2HB   LEU  30          HB3       LEU  30  -3.504   3.566  -6.217
  225    HG   LEU  30           HG       LEU  30  -5.850   2.261  -7.651
  226   1HD1  LEU  30          HD11      LEU  30  -4.353   3.225  -9.349
  227   2HD1  LEU  30          HD12      LEU  30  -2.966   2.391  -8.614
  228   3HD1  LEU  30          HD13      LEU  30  -4.294   1.455  -9.355
  229   1HD2  LEU  30          HD21      LEU  30  -3.305   1.113  -6.404
  230   2HD2  LEU  30          HD22      LEU  30  -4.953   0.957  -5.754
  231   3HD2  LEU  30          HD23      LEU  30  -4.532   0.178  -7.277
  232    H    ASN  31           H        ASN  31  -4.203   2.285  -3.914
  233    HA   ASN  31           HA       ASN  31  -3.645   4.413  -1.889
  234   1HB   ASN  31          HB2       ASN  31  -5.380   2.960  -0.999
  235   2HB   ASN  31          HB3       ASN  31  -4.462   1.521  -1.456
  236   1HD2  ASN  31          HD22      ASN  31  -4.219   0.703   0.696
  237   2HD2  ASN  31          HD21      ASN  31  -3.244   1.516   1.891
  238    H    VAL  32           H        VAL  32  -1.563   4.854  -2.360
  239    HA   VAL  32           HA       VAL  32   0.446   2.710  -2.221
  240    HB   VAL  32           HB       VAL  32   1.610   3.612  -4.210
  241   1HG1  VAL  32          HG11      VAL  32   0.103   1.642  -4.480
  242   2HG1  VAL  32          HG12      VAL  32  -1.188   2.741  -5.020
  243   3HG1  VAL  32          HG13      VAL  32   0.323   2.608  -5.944
  244   1HG2  VAL  32          HG21      VAL  32   0.584   5.902  -4.265
  245   2HG2  VAL  32          HG22      VAL  32   0.556   5.071  -5.816
  246   3HG2  VAL  32          HG23      VAL  32  -0.930   5.176  -4.853
  247    H    ASN  33           H        ASN  33   2.661   3.764  -2.153
  248    HA   ASN  33           HA       ASN  33   2.712   6.646  -1.593
  249   1HB   ASN  33          HB2       ASN  33   3.163   5.479   0.612
  250   2HB   ASN  33          HB3       ASN  33   4.433   4.539  -0.196
  251   1HD2  ASN  33          HD22      ASN  33   6.307   5.331   0.706
  252   2HD2  ASN  33          HD21      ASN  33   6.748   7.039   0.732
  253    H    VAL  34           H        VAL  34   4.548   7.550  -2.735
  254    HA   VAL  34           HA       VAL  34   6.225   5.661  -4.160
  255    HB   VAL  34           HB       VAL  34   5.893   6.566  -6.352
  256   1HG1  VAL  34          HG11      VAL  34   3.060   6.090  -5.336
  257   2HG1  VAL  34          HG12      VAL  34   3.724   5.781  -6.948
  258   3HG1  VAL  34          HG13      VAL  34   4.219   4.771  -5.588
  259   1HG2  VAL  34          HG21      VAL  34   4.127   8.177  -6.914
  260   2HG2  VAL  34          HG22      VAL  34   3.722   8.356  -5.188
  261   3HG2  VAL  34          HG23      VAL  34   5.293   8.895  -5.803
  262    H    ARG  35           H        ARG  35   8.245   6.427  -4.658
  263    HA   ARG  35           HA       ARG  35   8.899   9.270  -4.119
  264   1HB   ARG  35          HB2       ARG  35  10.917   7.087  -3.562
  265   2HB   ARG  35          HB3       ARG  35  10.937   8.767  -3.090
  266   1HG   ARG  35          HG2       ARG  35  10.500   7.978  -1.072
  267   2HG   ARG  35          HG3       ARG  35   8.801   7.940  -1.601
  268   1HD   ARG  35          HD2       ARG  35   9.292   5.545  -2.414
  269   2HD   ARG  35          HD3       ARG  35  10.844   5.652  -1.593
  270    HE   ARG  35           HE       ARG  35   8.519   4.757  -0.530
  271   1HH1  ARG  35          HH11      ARG  35  10.816   7.258   0.614
  272   2HH1  ARG  35          HH12      ARG  35  10.516   6.918   2.274
  273   1HH2  ARG  35          HH21      ARG  35   8.090   4.404   1.590
  274   2HH2  ARG  35          HH22      ARG  35   8.914   5.271   2.860
  275    H    SER  36           H        SER  36  11.148   9.650  -5.134
  276    HA   SER  36           HA       SER  36  11.787   7.765  -7.235
  277   1HB   SER  36          HB2       SER  36  12.119   9.673  -8.884
  278   2HB   SER  36          HB3       SER  36  10.455   9.190  -8.549
  279    HG   SER  36           HG       SER  36  10.325  10.974  -7.071
  280    H    ALA  37           H        ALA  37  13.972   7.892  -7.987
  281    HA   ALA  37           HA       ALA  37  15.909   9.433  -6.400
  282   1HB   ALA  37          HB1       ALA  37  16.903   7.439  -5.378
  283   2HB   ALA  37          HB2       ALA  37  15.221   7.579  -4.872
  284   3HB   ALA  37          HB3       ALA  37  15.662   6.403  -6.129
  285    H    GLY  38           H        GLY  38  18.168   8.263  -6.900
  286   1HA   GLY  38          HA2       GLY  38  18.270   6.949  -9.507
  287   2HA   GLY  38          HA3       GLY  38  19.061   8.528  -9.464
  288    H    VAL  39           H        VAL  39  20.315   5.897  -9.922
  289    HA   VAL  39           HA       VAL  39  21.693   5.072  -7.544
  290    HB   VAL  39           HB       VAL  39  23.361   4.091  -9.289
  291   1HG1  VAL  39          HG11      VAL  39  20.459   3.275  -9.011
  292   2HG1  VAL  39          HG12      VAL  39  21.678   2.278  -9.840
  293   3HG1  VAL  39          HG13      VAL  39  21.866   2.680  -8.123
  294   1HG2  VAL  39          HG21      VAL  39  21.070   4.644 -11.218
  295   2HG2  VAL  39          HG22      VAL  39  22.617   5.493 -11.245
  296   3HG2  VAL  39          HG23      VAL  39  22.535   3.743 -11.545
  297    H    PHE  40           H        PHE  40  22.252   7.776  -9.723
  298    HA   PHE  40           HA       PHE  40  24.585   8.562  -8.065
  299   1HB   PHE  40          HB2       PHE  40  24.383   8.604 -11.103
  300   2HB   PHE  40          HB3       PHE  40  25.647   9.403 -10.177
  301    HD1  PHE  40           HD1      PHE  40  27.151   8.012  -8.634
  302    HD2  PHE  40           HD2      PHE  40  24.634   6.259 -11.667
  303    HE1  PHE  40           HE1      PHE  40  28.508   5.937  -8.568
  304    HE2  PHE  40           HE2      PHE  40  25.995   4.191 -11.599
  305    HZ   PHE  40           HZ       PHE  40  27.932   4.020 -10.048
  306    H    ALA  41           H        ALA  41  21.712   9.263  -7.950
  307    HA   ALA  41           HA       ALA  41  21.500  12.063  -8.786
  308   1HB   ALA  41          HB1       ALA  41  19.869  10.359  -6.846
  309   2HB   ALA  41          HB2       ALA  41  19.444  11.990  -7.407
  310   3HB   ALA  41          HB3       ALA  41  19.489  10.648  -8.560
  311    H    SER  42           H        SER  42  21.057  13.662  -6.909
  312    HA   SER  42           HA       SER  42  22.923  13.240  -4.657
  313   1HB   SER  42          HB2       SER  42  22.785  15.748  -6.367
  314   2HB   SER  42          HB3       SER  42  23.821  15.487  -4.956
  315    HG   SER  42           HG       SER  42  23.914  14.178  -7.478
  316    HA   PRO  43           HA       PRO  43  19.471  14.552  -2.265
  317   1HB   PRO  43          HB2       PRO  43  21.510  15.952  -0.536
  318   2HB   PRO  43          HB3       PRO  43  20.113  14.937  -0.041
  319   1HG   PRO  43          HG2       PRO  43  22.534  13.798  -0.130
  320   2HG   PRO  43          HG3       PRO  43  21.153  12.960  -0.940
  321   1HD   PRO  43          HD2       PRO  43  23.252  14.750  -2.216
  322   2HD   PRO  43          HD3       PRO  43  22.725  13.106  -2.678
  323    H    ASN  44           H        ASN  44  20.921  16.943  -4.095
  324    HA   ASN  44           HA       ASN  44  18.889  18.921  -3.269
  325   1HB   ASN  44          HB2       ASN  44  21.057  19.448  -2.099
  326   2HB   ASN  44          HB3       ASN  44  21.798  19.692  -3.686
  327   1HD2  ASN  44          HD22      ASN  44  18.893  20.751  -1.761
  328   2HD2  ASN  44          HD21      ASN  44  18.958  22.407  -2.294
  329    H    GLY  45           H        GLY  45  19.737  17.014  -5.699
  330   1HA   GLY  45          HA2       GLY  45  19.771  18.956  -7.934
  331   2HA   GLY  45          HA3       GLY  45  19.648  17.185  -8.043
  332    H    LYS  46           H        LYS  46  17.771  19.699  -8.849
  333    HA   LYS  46           HA       LYS  46  15.294  18.472  -7.771
  334   1HB   LYS  46          HB2       LYS  46  14.484  20.663  -7.005
  335   2HB   LYS  46          HB3       LYS  46  15.871  20.047  -6.110
  336   1HG   LYS  46          HG2       LYS  46  17.359  21.602  -7.418
  337   2HG   LYS  46          HG3       LYS  46  15.902  22.298  -8.155
  338   1HD   LYS  46          HD2       LYS  46  15.044  22.863  -5.892
  339   2HD   LYS  46          HD3       LYS  46  16.534  22.243  -5.168
  340   1HE   LYS  46          HE2       LYS  46  16.367  24.509  -7.211
  341   2HE   LYS  46          HE3       LYS  46  16.458  24.745  -5.464
  342   1HZ   LYS  46          HZ1       LYS  46  18.630  23.648  -5.489
  343   2HZ   LYS  46          HZ2       LYS  46  18.562  23.471  -7.116
  344   3HZ   LYS  46          HZ3       LYS  46  18.627  24.959  -6.456
  345    H    ALA  47           H        ALA  47  13.949  18.130  -9.267
  346    HA   ALA  47           HA       ALA  47  13.046  17.952 -11.337
  347   1HB   ALA  47          HB1       ALA  47  11.606  19.792 -11.808
  348   2HB   ALA  47          HB2       ALA  47  11.809  19.753 -10.049
  349   3HB   ALA  47          HB3       ALA  47  12.696  20.955 -11.000
  350    H    THR  48           H        THR  48  12.866  20.094 -13.387
  351    HA   THR  48           HA       THR  48  15.572  20.722 -14.148
  352    HB   THR  48           HB       THR  48  15.675  19.806 -16.259
  353    HG1  THR  48           HG1      THR  48  14.003  19.090 -17.444
  354   1HG2  THR  48          HG21      THR  48  15.886  17.918 -14.707
  355   2HG2  THR  48          HG22      THR  48  14.130  17.613 -14.826
  356   3HG2  THR  48          HG23      THR  48  15.177  17.410 -16.238
  357    HA   PRO  49           HA       PRO  49  13.478  24.461 -15.335
  358   1HB   PRO  49          HB2       PRO  49  14.718  24.202 -18.079
  359   2HB   PRO  49          HB3       PRO  49  14.655  25.634 -17.004
  360   1HG   PRO  49          HG2       PRO  49  16.925  24.169 -17.185
  361   2HG   PRO  49          HG3       PRO  49  16.349  24.726 -15.579
  362   1HD   PRO  49          HD2       PRO  49  16.017  22.004 -16.856
  363   2HD   PRO  49          HD3       PRO  49  16.484  22.419 -15.178
  364    H    HIS  50           H        HIS  50  12.989  21.574 -17.275
  365    HA   HIS  50           HA       HIS  50  10.612  22.789 -18.574
  366   1HB   HIS  50          HB2       HIS  50  12.679  20.873 -19.640
  367   2HB   HIS  50          HB3       HIS  50  11.140  21.182 -20.439
  368    HD1  HIS  50           HD1      HIS  50  14.015  21.856 -21.791
  369    HD2  HIS  50           HD2      HIS  50  11.364  24.513 -19.860
  370    HE1  HIS  50           HE1      HIS  50  14.555  24.178 -22.659
  371    H    ALA  51           H        ALA  51  11.877  19.832 -16.992
  372    HA   ALA  51           HA       ALA  51   9.509  18.300 -17.241
  373   1HB   ALA  51          HB1       ALA  51  10.323  17.178 -15.159
  374   2HB   ALA  51          HB2       ALA  51  11.617  17.357 -16.352
  375   3HB   ALA  51          HB3       ALA  51  11.543  18.448 -14.957
  376    H    VAL  52           H        VAL  52  10.532  20.703 -14.807
  377    HA   VAL  52           HA       VAL  52   8.199  20.452 -13.247
  378    HB   VAL  52           HB       VAL  52  10.599  21.504 -12.859
  379   1HG1  VAL  52          HG11      VAL  52  10.688  23.879 -12.645
  380   2HG1  VAL  52          HG12      VAL  52  10.380  23.439 -14.328
  381   3HG1  VAL  52          HG13      VAL  52   9.044  24.049 -13.296
  382   1HG2  VAL  52          HG21      VAL  52   8.072  22.409 -11.464
  383   2HG2  VAL  52          HG22      VAL  52   9.113  21.001 -11.085
  384   3HG2  VAL  52          HG23      VAL  52   9.720  22.636 -10.819
  385    H    GLU  53           H        GLU  53   9.001  22.512 -15.998
  386    HA   GLU  53           HA       GLU  53   6.666  24.107 -15.801
  387   1HB   GLU  53          HB2       GLU  53   8.802  24.684 -17.049
  388   2HB   GLU  53          HB3       GLU  53   8.358  23.493 -18.269
  389   1HG   GLU  53          HG2       GLU  53   7.766  25.624 -19.129
  390   2HG   GLU  53          HG3       GLU  53   6.257  24.822 -18.725
  391    H    ALA  54           H        ALA  54   7.450  21.115 -17.557
  392    HA   ALA  54           HA       ALA  54   5.051  20.926 -19.030
  393   1HB   ALA  54          HB1       ALA  54   6.894  18.697 -18.044
  394   2HB   ALA  54          HB2       ALA  54   5.701  18.553 -19.345
  395   3HB   ALA  54          HB3       ALA  54   7.095  19.620 -19.550
  396    H    LEU  55           H        LEU  55   5.897  19.732 -15.787
  397    HA   LEU  55           HA       LEU  55   3.199  18.615 -15.449
  398   1HB   LEU  55          HB2       LEU  55   5.638  18.834 -13.735
  399   2HB   LEU  55          HB3       LEU  55   4.086  18.447 -12.984
  400    HG   LEU  55           HG       LEU  55   5.553  16.478 -13.474
  401   1HD1  LEU  55          HD11      LEU  55   3.794  15.006 -14.204
  402   2HD1  LEU  55          HD12      LEU  55   3.152  16.197 -13.084
  403   3HD1  LEU  55          HD13      LEU  55   2.846  16.364 -14.841
  404   1HD2  LEU  55          HD21      LEU  55   6.425  17.117 -15.697
  405   2HD2  LEU  55          HD22      LEU  55   5.669  15.518 -15.700
  406   3HD2  LEU  55          HD23      LEU  55   4.803  16.897 -16.394
  407    H    PHE  56           H        PHE  56   4.690  21.759 -14.869
  408    HA   PHE  56           HA       PHE  56   2.557  22.647 -13.122
  409   1HB   PHE  56          HB2       PHE  56   4.716  23.856 -13.278
  410   2HB   PHE  56          HB3       PHE  56   4.357  24.283 -14.953
  411    HD1  PHE  56           HD1      PHE  56   3.141  26.302 -15.397
  412    HD2  PHE  56           HD2      PHE  56   2.932  24.499 -11.488
  413    HE1  PHE  56           HE1      PHE  56   1.741  28.189 -14.595
  414    HE2  PHE  56           HE2      PHE  56   1.490  26.343 -10.703
  415    HZ   PHE  56           HZ       PHE  56   0.904  28.216 -12.249
  416    H    GLU  57           H        GLU  57   3.083  22.677 -16.695
  417    HA   GLU  57           HA       GLU  57   0.531  23.820 -17.302
  418   1HB   GLU  57          HB2       GLU  57   2.459  23.704 -18.850
  419   2HB   GLU  57          HB3       GLU  57   2.284  21.950 -18.939
  420   1HG   GLU  57          HG2       GLU  57   0.012  22.237 -19.920
  421   2HG   GLU  57          HG3       GLU  57   0.175  23.994 -19.782
  422    H    LYS  58           H        LYS  58   1.576  20.400 -16.753
  423    HA   LYS  58           HA       LYS  58  -1.025  19.269 -17.137
  424   1HB   LYS  58          HB2       LYS  58   1.254  18.075 -16.917
  425   2HB   LYS  58          HB3       LYS  58   1.077  18.299 -15.175
  426   1HG   LYS  58          HG2       LYS  58   0.449  16.068 -15.746
  427   2HG   LYS  58          HG3       LYS  58  -0.966  16.929 -15.176
  428   1HD   LYS  58          HD2       LYS  58  -1.606  15.522 -16.970
  429   2HD   LYS  58          HD3       LYS  58  -1.712  17.181 -17.572
  430   1HE   LYS  58          HE2       LYS  58   0.437  16.927 -18.740
  431   2HE   LYS  58          HE3       LYS  58   0.700  15.347 -17.980
  432   1HZ   LYS  58          HZ1       LYS  58  -1.218  14.491 -19.159
  433   2HZ   LYS  58          HZ2       LYS  58  -1.534  15.949 -19.850
  434   3HZ   LYS  58          HZ3       LYS  58  -0.185  15.121 -20.255
  435    H    HIS  59           H        HIS  59   0.062  21.410 -14.711
  436    HA   HIS  59           HA       HIS  59  -0.818  22.335 -12.907
  437   1HB   HIS  59          HB2       HIS  59  -3.449  20.959 -13.502
  438   2HB   HIS  59          HB3       HIS  59  -3.175  22.314 -12.419
  439    HD1  HIS  59           HD1      HIS  59  -4.547  21.877 -15.686
  440    HD2  HIS  59           HD2      HIS  59  -1.681  24.452 -13.983
  441    HE1  HIS  59           HE1      HIS  59  -4.426  23.916 -17.202
  442    H    ILE  60           H        ILE  60   0.844  20.392 -12.504
  443    HA   ILE  60           HA       ILE  60  -0.121  19.042 -10.022
  444    HB   ILE  60           HB       ILE  60   1.776  17.984 -12.143
  445   1HG1  ILE  60          HG12      ILE  60  -0.932  16.905 -11.210
  446   2HG1  ILE  60          HG13      ILE  60  -0.682  17.816 -12.695
  447   1HG2  ILE  60          HG21      ILE  60   1.886  15.922 -10.724
  448   2HG2  ILE  60          HG22      ILE  60   2.561  17.312  -9.897
  449   3HG2  ILE  60          HG23      ILE  60   0.931  16.740  -9.481
  450   1HD1  ILE  60          HD11      ILE  60   0.852  16.094 -13.537
  451   2HD1  ILE  60          HD12      ILE  60   0.514  15.076 -12.137
  452   3HD1  ILE  60          HD13      ILE  60  -0.793  15.486 -13.249
  453    H    ALA  61           H        ALA  61   2.394  20.907 -11.677
  454    HA   ALA  61           HA       ALA  61   4.166  22.086 -10.943
  455   1HB   ALA  61          HB1       ALA  61   2.679  22.235  -8.295
  456   2HB   ALA  61          HB2       ALA  61   3.883  23.376  -8.925
  457   3HB   ALA  61          HB3       ALA  61   2.302  23.218  -9.718
  458    H    LEU  62           H        LEU  62   5.109  19.872 -11.215
  459    HA   LEU  62           HA       LEU  62   5.685  17.833  -9.735
  460   1HB   LEU  62          HB2       LEU  62   6.500  18.196 -11.922
  461   2HB   LEU  62          HB3       LEU  62   7.636  19.419 -11.426
  462    HG   LEU  62           HG       LEU  62   7.822  16.435 -10.786
  463   1HD1  LEU  62          HD11      LEU  62   9.558  16.421 -12.539
  464   2HD1  LEU  62          HD12      LEU  62   8.034  17.005 -13.213
  465   3HD1  LEU  62          HD13      LEU  62   9.321  18.163 -12.812
  466   1HD2  LEU  62          HD21      LEU  62   9.711  18.768 -10.261
  467   2HD2  LEU  62          HD22      LEU  62   9.173  17.492  -9.141
  468   3HD2  LEU  62          HD23      LEU  62  10.316  17.115 -10.422
  469    H    ASN  63           H        ASN  63   7.826  20.670  -9.305
  470    HA   ASN  63           HA       ASN  63   9.574  20.968  -7.807
  471   1HB   ASN  63          HB2       ASN  63   6.983  21.265  -6.265
  472   2HB   ASN  63          HB3       ASN  63   8.545  21.818  -5.671
  473   1HD2  ASN  63          HD22      ASN  63   6.015  22.406  -8.028
  474   2HD2  ASN  63          HD21      ASN  63   6.665  23.924  -8.650
  475    H    HIS  64           H        HIS  64  10.789  19.063  -7.651
  476    HA   HIS  64           HA       HIS  64  10.411  17.441  -5.180
  477   1HB   HIS  64          HB2       HIS  64   9.569  16.136  -7.081
  478   2HB   HIS  64          HB3       HIS  64  11.011  16.523  -8.025
  479    HD1  HIS  64           HD1      HIS  64   9.773  13.864  -5.672
  480    HD2  HIS  64           HD2      HIS  64  13.369  15.365  -7.276
  481    HE1  HIS  64           HE1      HIS  64  11.540  12.110  -5.244
  482    H    VAL  65           H        VAL  65  12.399  16.778  -4.253
  483    HA   VAL  65           HA       VAL  65  14.926  17.780  -5.472
  484    HB   VAL  65           HB       VAL  65  14.312  17.751  -2.488
  485   1HG1  VAL  65          HG11      VAL  65  16.429  19.022  -2.344
  486   2HG1  VAL  65          HG12      VAL  65  16.691  17.445  -3.095
  487   3HG1  VAL  65          HG13      VAL  65  16.630  18.905  -4.107
  488   1HG2  VAL  65          HG21      VAL  65  14.367  20.144  -4.379
  489   2HG2  VAL  65          HG22      VAL  65  12.975  19.563  -3.441
  490   3HG2  VAL  65          HG23      VAL  65  14.379  20.239  -2.609
  491    H    SER  66           H        SER  66  16.317  16.234  -5.732
  492    HA   SER  66           HA       SER  66  15.508  13.501  -5.545
  493   1HB   SER  66          HB2       SER  66  18.214  14.664  -6.318
  494   2HB   SER  66          HB3       SER  66  17.519  13.114  -6.818
  495    HG   SER  66           HG       SER  66  16.835  15.744  -7.585
  496    H    SER  67           H        SER  67  17.193  11.811  -4.910
  497    HA   SER  67           HA       SER  67  19.186  12.385  -2.932
  498   1HB   SER  67          HB2       SER  67  16.666  10.817  -2.181
  499   2HB   SER  67          HB3       SER  67  18.189  10.701  -1.284
  500    HG   SER  67           HG       SER  67  17.158  13.246  -1.812
  501    HA   PRO  68           HA       PRO  68  20.545   8.785  -5.201
  502   1HB   PRO  68          HB2       PRO  68  22.319   7.557  -3.519
  503   2HB   PRO  68          HB3       PRO  68  22.663   9.115  -4.324
  504   1HG   PRO  68          HG2       PRO  68  21.610   8.674  -1.511
  505   2HG   PRO  68          HG3       PRO  68  22.965   9.729  -2.033
  506   1HD   PRO  68          HD2       PRO  68  20.464  10.705  -1.603
  507   2HD   PRO  68          HD3       PRO  68  21.481  11.328  -2.940
  508    H    LEU  69           H        LEU  69  19.790   6.684  -5.490
  509    HA   LEU  69           HA       LEU  69  17.881   5.567  -3.593
  510   1HB   LEU  69          HB2       LEU  69  17.613   5.072  -5.971
  511   2HB   LEU  69          HB3       LEU  69  19.228   4.369  -6.055
  512    HG   LEU  69           HG       LEU  69  18.587   2.496  -4.691
  513   1HD1  LEU  69          HD11      LEU  69  17.070   3.412  -3.018
  514   2HD1  LEU  69          HD12      LEU  69  15.914   3.899  -4.279
  515   3HD1  LEU  69          HD13      LEU  69  16.191   2.184  -3.916
  516   1HD2  LEU  69          HD21      LEU  69  16.309   2.977  -6.641
  517   2HD2  LEU  69          HD22      LEU  69  17.954   2.485  -7.105
  518   3HD2  LEU  69          HD23      LEU  69  16.961   1.416  -6.103
  519    H    THR  70           H        THR  70  18.508   4.766  -1.705
  520    HA   THR  70           HA       THR  70  21.109   3.412  -1.426
  521    HB   THR  70           HB       THR  70  21.032   4.700   0.891
  522    HG1  THR  70           HG1      THR  70  19.743   6.549  -0.858
  523   1HG2  THR  70          HG21      THR  70  22.500   6.432  -0.086
  524   2HG2  THR  70          HG22      THR  70  22.851   4.820  -0.739
  525   3HG2  THR  70          HG23      THR  70  21.941   5.987  -1.718
  526    H    GLU  71           H        GLU  71  21.163   2.194   0.728
  527    HA   GLU  71           HA       GLU  71  19.287   0.276   0.043
  528   1HB   GLU  71          HB2       GLU  71  21.622  -0.065   0.936
  529   2HB   GLU  71          HB3       GLU  71  21.010   0.281   2.558
  530   1HG   GLU  71          HG2       GLU  71  19.447  -1.669   2.343
  531   2HG   GLU  71          HG3       GLU  71  20.093  -1.989   0.730
  532    H    GLU  72           H        GLU  72  19.271   2.528   2.768
  533    HA   GLU  72           HA       GLU  72  17.124   1.292   4.171
  534   1HB   GLU  72          HB2       GLU  72  16.965   3.428   5.392
  535   2HB   GLU  72          HB3       GLU  72  18.625   2.838   5.283
  536   1HG   GLU  72          HG2       GLU  72  19.050   4.462   3.418
  537   2HG   GLU  72          HG3       GLU  72  17.408   5.078   3.607
  538    H    LEU  73           H        LEU  73  17.186   3.616   1.505
  539    HA   LEU  73           HA       LEU  73  14.359   4.149   1.624
  540   1HB   LEU  73          HB2       LEU  73  16.010   5.683   0.511
  541   2HB   LEU  73          HB3       LEU  73  16.257   4.455  -0.738
  542    HG   LEU  73           HG       LEU  73  13.853   4.606  -1.344
  543   1HD1  LEU  73          HD11      LEU  73  12.562   6.605  -0.542
  544   2HD1  LEU  73          HD12      LEU  73  12.744   5.292   0.622
  545   3HD1  LEU  73          HD13      LEU  73  13.746   6.765   0.772
  546   1HD2  LEU  73          HD21      LEU  73  15.461   5.973  -2.585
  547   2HD2  LEU  73          HD22      LEU  73  13.911   6.822  -2.416
  548   3HD2  LEU  73          HD23      LEU  73  15.294   7.282  -1.393
  549    H    MET  74           H        MET  74  16.481   1.940  -0.165
  550    HA   MET  74           HA       MET  74  14.564   0.602  -1.739
  551   1HB   MET  74          HB2       MET  74  16.731   0.201  -2.351
  552   2HB   MET  74          HB3       MET  74  17.304   0.041  -0.707
  553   1HG   MET  74          HG2       MET  74  17.520  -2.066  -1.779
  554   2HG   MET  74          HG3       MET  74  16.330  -2.169  -0.496
  555   1HE   MET  74          HE1       MET  74  17.127  -2.677  -4.248
  556   2HE   MET  74          HE2       MET  74  15.548  -2.597  -5.049
  557   3HE   MET  74          HE3       MET  74  16.280  -1.116  -4.393
  558    H    GLU  75           H        GLU  75  15.565   0.008   1.646
  559    HA   GLU  75           HA       GLU  75  13.651  -2.168   1.912
  560   1HB   GLU  75          HB2       GLU  75  15.567  -0.775   3.793
  561   2HB   GLU  75          HB3       GLU  75  14.357  -1.898   4.416
  562   1HG   GLU  75          HG2       GLU  75  16.342  -2.645   2.226
  563   2HG   GLU  75          HG3       GLU  75  16.608  -2.930   3.944
  564    H    SER  76           H        SER  76  13.470   1.297   2.466
  565    HA   SER  76           HA       SER  76  11.016   1.195   3.993
  566   1HB   SER  76          HB2       SER  76  12.071   3.363   2.127
  567   2HB   SER  76          HB3       SER  76  10.774   3.536   3.316
  568    HG   SER  76           HG       SER  76  13.504   2.902   3.839
  569    H    ALA  77           H        ALA  77  11.822   1.020   0.512
  570    HA   ALA  77           HA       ALA  77   8.972   1.053  -0.200
  571   1HB   ALA  77          HB1       ALA  77   9.743   1.217  -2.482
  572   2HB   ALA  77          HB2       ALA  77  10.572   2.393  -1.458
  573   3HB   ALA  77          HB3       ALA  77  11.422   0.901  -1.970
  574    H    ASP  78           H        ASP  78   8.411  -0.463  -2.075
  575    HA   ASP  78           HA       ASP  78   9.047  -3.276  -1.366
  576   1HB   ASP  78          HB2       ASP  78   7.013  -2.476  -0.231
  577   2HB   ASP  78          HB3       ASP  78   6.347  -1.954  -1.783
  578    H    LEU  79           H        LEU  79   8.387  -0.896  -3.855
  579    HA   LEU  79           HA       LEU  79   9.035  -2.899  -5.929
  580   1HB   LEU  79          HB2       LEU  79   6.560  -2.309  -5.978
  581   2HB   LEU  79          HB3       LEU  79   7.015  -0.624  -6.114
  582    HG   LEU  79           HG       LEU  79   8.152  -1.119  -8.304
  583   1HD1  LEU  79          HD11      LEU  79   6.823  -3.851  -7.988
  584   2HD1  LEU  79          HD12      LEU  79   7.606  -3.233  -9.458
  585   3HD1  LEU  79          HD13      LEU  79   8.576  -3.549  -8.015
  586   1HD2  LEU  79          HD21      LEU  79   6.149  -1.246  -9.620
  587   2HD2  LEU  79          HD22      LEU  79   5.243  -1.995  -8.295
  588   3HD2  LEU  79          HD23      LEU  79   5.772  -0.311  -8.172
  589    H    VAL  80           H        VAL  80  10.518  -2.098  -7.418
  590    HA   VAL  80           HA       VAL  80  11.213   0.772  -7.304
  591    HB   VAL  80           HB       VAL  80  13.185  -1.539  -7.394
  592   1HG1  VAL  80          HG11      VAL  80  14.918   0.231  -7.254
  593   2HG1  VAL  80          HG12      VAL  80  13.956   0.394  -8.725
  594   3HG1  VAL  80          HG13      VAL  80  13.656   1.479  -7.349
  595   1HG2  VAL  80          HG21      VAL  80  12.426  -1.330  -5.112
  596   2HG2  VAL  80          HG22      VAL  80  14.010  -0.563  -5.208
  597   3HG2  VAL  80          HG23      VAL  80  12.546   0.438  -5.177
  598    H    LEU  81           H        LEU  81  11.467   1.625  -9.351
  599    HA   LEU  81           HA       LEU  81  10.863  -0.192 -11.604
  600   1HB   LEU  81          HB2       LEU  81   8.996   1.303 -10.225
  601   2HB   LEU  81          HB3       LEU  81   9.419   2.401 -11.527
  602    HG   LEU  81           HG       LEU  81   8.497  -0.519 -11.887
  603   1HD1  LEU  81          HD11      LEU  81   7.053   2.128 -12.295
  604   2HD1  LEU  81          HD12      LEU  81   6.409   0.516 -12.692
  605   3HD1  LEU  81          HD13      LEU  81   6.720   0.953 -11.006
  606   1HD2  LEU  81          HD21      LEU  81   9.922   0.128 -13.722
  607   2HD2  LEU  81          HD22      LEU  81   8.238   0.170 -14.254
  608   3HD2  LEU  81          HD23      LEU  81   9.085   1.690 -13.868
  609    H    ALA  82           H        ALA  82  12.808  -0.055 -12.580
  610    HA   ALA  82           HA       ALA  82  14.341   2.432 -12.530
  611   1HB   ALA  82          HB1       ALA  82  16.227   0.973 -13.154
  612   2HB   ALA  82          HB2       ALA  82  15.398   0.332 -11.725
  613   3HB   ALA  82          HB3       ALA  82  15.125  -0.409 -13.321
  614    H    MET  83           H        MET  83  14.998   3.485 -14.320
  615    HA   MET  83           HA       MET  83  13.402   3.249 -16.649
  616   1HB   MET  83          HB2       MET  83  15.959   4.825 -16.145
  617   2HB   MET  83          HB3       MET  83  14.920   5.015 -17.576
  618   1HG   MET  83          HG2       MET  83  14.392   5.749 -14.725
  619   2HG   MET  83          HG3       MET  83  14.200   6.729 -16.163
  620   1HE   MET  83          HE1       MET  83  12.244   5.907 -13.368
  621   2HE   MET  83          HE2       MET  83  12.006   7.368 -14.361
  622   3HE   MET  83          HE3       MET  83  10.670   6.207 -14.142
  623    H    THR  84           H        THR  84  16.558   1.639 -16.082
  624    HA   THR  84           HA       THR  84  16.186   0.422 -18.738
  625    HB   THR  84           HB       THR  84  18.536   0.691 -19.326
  626    HG1  THR  84           HG1      THR  84  19.790   2.194 -18.071
  627   1HG2  THR  84          HG21      THR  84  18.637   3.028 -19.909
  628   2HG2  THR  84          HG22      THR  84  16.965   2.479 -20.088
  629   3HG2  THR  84          HG23      THR  84  17.436   3.454 -18.676
  630    H    HIS  85           H        HIS  85  17.409  -1.624 -18.981
  631    HA   HIS  85           HA       HIS  85  17.447  -3.104 -16.531
  632   1HB   HIS  85          HB2       HIS  85  16.883  -4.098 -18.748
  633   2HB   HIS  85          HB3       HIS  85  18.569  -3.901 -19.245
  634    HD1  HIS  85           HD1      HIS  85  19.739  -6.255 -19.012
  635    HD2  HIS  85           HD2      HIS  85  16.908  -5.408 -16.024
  636    HE1  HIS  85           HE1      HIS  85  19.824  -8.198 -17.375
  637    H    GLN  86           H        GLN  86  19.895  -1.293 -18.338
  638    HA   GLN  86           HA       GLN  86  22.152  -2.322 -16.926
  639   1HB   GLN  86          HB2       GLN  86  22.421  -0.989 -18.967
  640   2HB   GLN  86          HB3       GLN  86  21.668   0.406 -18.191
  641   1HG   GLN  86          HG2       GLN  86  24.084   0.683 -18.281
  642   2HG   GLN  86          HG3       GLN  86  23.559   0.589 -16.611
  643   1HE2  GLN  86          HE22      GLN  86  24.024  -1.445 -15.388
  644   2HE2  GLN  86          HE21      GLN  86  25.344  -2.464 -15.924
  645    H    HIS  87           H        HIS  87  19.927   0.417 -16.256
  646    HA   HIS  87           HA       HIS  87  21.080   1.131 -13.795
  647   1HB   HIS  87          HB2       HIS  87  19.483   2.443 -15.209
  648   2HB   HIS  87          HB3       HIS  87  18.177   1.390 -14.663
  649    HD1  HIS  87           HD1      HIS  87  19.058   1.384 -11.525
  650    HD2  HIS  87           HD2      HIS  87  18.798   4.663 -14.140
  651    HE1  HIS  87           HE1      HIS  87  18.609   3.423 -10.079
  652    H    LYS  88           H        LYS  88  18.562  -1.313 -14.543
  653    HA   LYS  88           HA       LYS  88  18.063  -2.092 -11.865
  654   1HB   LYS  88          HB2       LYS  88  16.715  -2.913 -13.785
  655   2HB   LYS  88          HB3       LYS  88  18.086  -3.905 -14.320
  656   1HG   LYS  88          HG2       LYS  88  18.060  -5.117 -12.160
  657   2HG   LYS  88          HG3       LYS  88  16.704  -4.149 -11.623
  658   1HD   LYS  88          HD2       LYS  88  16.753  -6.231 -13.833
  659   2HD   LYS  88          HD3       LYS  88  15.994  -6.351 -12.252
  660   1HE   LYS  88          HE2       LYS  88  14.508  -4.352 -13.018
  661   2HE   LYS  88          HE3       LYS  88  15.074  -4.739 -14.647
  662   1HZ   LYS  88          HZ1       LYS  88  13.144  -6.009 -14.367
  663   2HZ   LYS  88          HZ2       LYS  88  14.298  -7.107 -14.073
  664   3HZ   LYS  88          HZ3       LYS  88  13.492  -6.426 -12.806
  665    H    GLN  89           H        GLN  89  20.620  -3.160 -14.102
  666    HA   GLN  89           HA       GLN  89  21.750  -5.011 -12.238
  667   1HB   GLN  89          HB2       GLN  89  22.854  -3.681 -14.736
  668   2HB   GLN  89          HB3       GLN  89  23.781  -4.856 -13.798
  669   1HG   GLN  89          HG2       GLN  89  22.237  -6.622 -14.234
  670   2HG   GLN  89          HG3       GLN  89  20.998  -5.523 -14.836
  671   1HE2  GLN  89          HE22      GLN  89  21.207  -4.577 -16.904
  672   2HE2  GLN  89          HE21      GLN  89  22.336  -5.189 -18.112
  673    H    ILE  90           H        ILE  90  22.351  -1.527 -12.781
  674    HA   ILE  90           HA       ILE  90  24.601  -1.437 -11.022
  675    HB   ILE  90           HB       ILE  90  22.626   0.778 -11.688
  676   1HG1  ILE  90          HG12      ILE  90  25.470   0.391 -12.745
  677   2HG1  ILE  90          HG13      ILE  90  24.070  -0.221 -13.595
  678   1HG2  ILE  90          HG21      ILE  90  24.389   2.336 -10.839
  679   2HG2  ILE  90          HG22      ILE  90  23.850   1.266  -9.559
  680   3HG2  ILE  90          HG23      ILE  90  25.389   0.950 -10.372
  681   1HD1  ILE  90          HD11      ILE  90  24.659   2.702 -13.017
  682   2HD1  ILE  90          HD12      ILE  90  24.636   1.880 -14.584
  683   3HD1  ILE  90          HD13      ILE  90  23.123   2.113 -13.684
  684    H    ILE  91           H        ILE  91  21.094  -1.051 -10.425
  685    HA   ILE  91           HA       ILE  91  21.267  -0.548  -7.643
  686    HB   ILE  91           HB       ILE  91  19.102  -1.931  -9.268
  687   1HG1  ILE  91          HG12      ILE  91  19.158   0.861  -8.055
  688   2HG1  ILE  91          HG13      ILE  91  19.709   0.548  -9.683
  689   1HG2  ILE  91          HG21      ILE  91  18.936  -0.917  -6.401
  690   2HG2  ILE  91          HG22      ILE  91  17.575  -1.537  -7.352
  691   3HG2  ILE  91          HG23      ILE  91  18.869  -2.627  -6.893
  692   1HD1  ILE  91          HD11      ILE  91  17.490  -0.344 -10.318
  693   2HD1  ILE  91          HD12      ILE  91  16.876   0.033  -8.691
  694   3HD1  ILE  91          HD13      ILE  91  17.416   1.333  -9.747
  695    H    ALA  92           H        ALA  92  21.077  -3.631  -9.408
  696    HA   ALA  92           HA       ALA  92  21.155  -5.316  -7.146
  697   1HB   ALA  92          HB1       ALA  92  21.790  -7.090  -8.746
  698   2HB   ALA  92          HB2       ALA  92  20.539  -6.045  -9.462
  699   3HB   ALA  92          HB3       ALA  92  22.237  -5.875  -9.950
  700    H    SER  93           H        SER  93  23.780  -3.870  -9.044
  701    HA   SER  93           HA       SER  93  25.892  -5.330  -7.786
  702   1HB   SER  93          HB2       SER  93  25.984  -2.660  -9.253
  703   2HB   SER  93          HB3       SER  93  27.366  -3.707  -8.891
  704    HG   SER  93           HG       SER  93  25.141  -4.254 -10.577
  705    H    GLN  94           H        GLN  94  24.315  -2.207  -7.000
  706    HA   GLN  94           HA       GLN  94  26.386  -1.627  -5.018
  707   1HB   GLN  94          HB2       GLN  94  25.126   0.330  -4.416
  708   2HB   GLN  94          HB3       GLN  94  25.407   0.245  -6.154
  709   1HG   GLN  94          HG2       GLN  94  23.103  -0.328  -6.568
  710   2HG   GLN  94          HG3       GLN  94  22.778  -0.566  -4.856
  711   1HE2  GLN  94          HE22      GLN  94  21.285   0.981  -4.396
  712   2HE2  GLN  94          HE21      GLN  94  21.545   2.696  -4.578
  713    H    PHE  95           H        PHE  95  23.078  -3.021  -4.955
  714    HA   PHE  95           HA       PHE  95  23.179  -3.013  -2.000
  715   1HB   PHE  95          HB2       PHE  95  21.047  -3.747  -4.013
  716   2HB   PHE  95          HB3       PHE  95  20.827  -3.825  -2.267
  717    HD1  PHE  95           HD1      PHE  95  19.234  -2.247  -4.360
  718    HD2  PHE  95           HD2      PHE  95  22.387  -1.096  -1.644
  719    HE1  PHE  95           HE1      PHE  95  18.282   0.037  -4.195
  720    HE2  PHE  95           HE2      PHE  95  21.477   1.149  -1.535
  721    HZ   PHE  95           HZ       PHE  95  19.353   1.721  -2.723
  722    H    GLY  96           H        GLY  96  23.943  -5.366  -4.458
  723   1HA   GLY  96          HA2       GLY  96  24.764  -7.518  -4.020
  724   2HA   GLY  96          HA3       GLY  96  24.190  -7.436  -2.348
  725    H    ARG  97           H        ARG  97  22.801  -7.136  -5.614
  726    HA   ARG  97           HA       ARG  97  20.945  -7.849  -6.599
  727   1HB   ARG  97          HB2       ARG  97  22.552  -9.830  -6.472
  728   2HB   ARG  97          HB3       ARG  97  21.422 -10.548  -5.322
  729   1HG   ARG  97          HG2       ARG  97  19.604 -10.362  -7.047
  730   2HG   ARG  97          HG3       ARG  97  20.755  -9.628  -8.168
  731   1HD   ARG  97          HD2       ARG  97  20.925 -12.441  -7.016
  732   2HD   ARG  97          HD3       ARG  97  20.367 -12.025  -8.636
  733    HE   ARG  97           HE       ARG  97  23.121 -12.074  -7.618
  734   1HH1  ARG  97          HH21      ARG  97  21.034 -11.160 -10.341
  735   2HH1  ARG  97          HH22      ARG  97  22.336 -10.958 -11.454
  736   1HH2  ARG  97          HH11      ARG  97  24.850 -11.820  -9.101
  737   2HH2  ARG  97          HH12      ARG  97  24.549 -11.363 -10.733
  738    H    TYR  98           H        TYR  98  20.074  -6.337  -4.644
  739    HA   TYR  98           HA       TYR  98  17.632  -7.539  -3.513
  740   1HB   TYR  98          HB2       TYR  98  18.730  -4.728  -3.775
  741   2HB   TYR  98          HB3       TYR  98  17.042  -4.991  -3.413
  742    HD1  TYR  98           HD1      TYR  98  16.426  -4.787  -1.219
  743    HD2  TYR  98           HD2      TYR  98  20.320  -6.425  -2.108
  744    HE1  TYR  98           HE1      TYR  98  16.911  -4.952   1.193
  745    HE2  TYR  98           HE2      TYR  98  20.808  -6.592   0.293
  746    HH   TYR  98           HH       TYR  98  20.023  -6.222   2.464
  747    H    ARG  99           H        ARG  99  18.543  -7.561  -6.512
  748    HA   ARG  99           HA       ARG  99  17.022  -6.069  -8.216
  749   1HB   ARG  99          HB2       ARG  99  18.953  -7.618  -8.679
  750   2HB   ARG  99          HB3       ARG  99  17.849  -8.991  -8.554
  751   1HG   ARG  99          HG2       ARG  99  16.602  -8.213 -10.510
  752   2HG   ARG  99          HG3       ARG  99  17.554  -6.715 -10.549
  753   1HD   ARG  99          HD2       ARG  99  19.582  -7.921 -11.075
  754   2HD   ARG  99          HD3       ARG  99  18.796  -9.485 -10.848
  755    HE   ARG  99           HE       ARG  99  18.742  -7.766 -13.188
  756   1HH1  ARG  99          HH11      ARG  99  17.025 -10.426 -11.563
  757   2HH1  ARG  99          HH12      ARG  99  16.251 -10.980 -12.997
  758   1HH2  ARG  99          HH21      ARG  99  17.682  -8.495 -15.100
  759   2HH2  ARG  99          HH22      ARG  99  16.651  -9.877 -15.040
  760    H    ASP 100           H        ASP 100  15.844  -8.786  -6.288
  761    HA   ASP 100           HA       ASP 100  13.634  -9.620  -7.771
  762   1HB   ASP 100          HB2       ASP 100  14.421 -10.739  -5.749
  763   2HB   ASP 100          HB3       ASP 100  13.956  -9.349  -4.762
  764    H    LYS 101           H        LYS 101  13.902  -6.657  -5.724
  765    HA   LYS 101           HA       LYS 101  11.031  -6.128  -5.957
  766   1HB   LYS 101          HB2       LYS 101  13.227  -4.197  -5.107
  767   2HB   LYS 101          HB3       LYS 101  11.487  -4.013  -4.885
  768   1HG   LYS 101          HG2       LYS 101  11.628  -6.177  -3.439
  769   2HG   LYS 101          HG3       LYS 101  13.380  -5.877  -3.447
  770   1HD   LYS 101          HD2       LYS 101  12.688  -3.423  -2.740
  771   2HD   LYS 101          HD3       LYS 101  11.138  -4.161  -2.320
  772   1HE   LYS 101          HE2       LYS 101  12.327  -5.757  -0.810
  773   2HE   LYS 101          HE3       LYS 101  13.870  -5.028  -1.276
  774   1HZ   LYS 101          HZ1       LYS 101  11.690  -3.659   0.199
  775   2HZ   LYS 101          HZ2       LYS 101  13.184  -4.099   0.778
  776   3HZ   LYS 101          HZ3       LYS 101  13.026  -2.908  -0.347
  777    H    VAL 102           H        VAL 102  13.566  -5.802  -8.229
  778    HA   VAL 102           HA       VAL 102  12.669  -3.149  -9.099
  779    HB   VAL 102           HB       VAL 102  15.115  -4.628 -10.069
  780   1HG1  VAL 102          HG11      VAL 102  14.440  -2.652 -11.398
  781   2HG1  VAL 102          HG12      VAL 102  14.341  -1.670  -9.928
  782   3HG1  VAL 102          HG13      VAL 102  15.906  -2.275 -10.487
  783   1HG2  VAL 102          HG21      VAL 102  15.055  -2.720  -7.693
  784   2HG2  VAL 102          HG22      VAL 102  15.354  -4.465  -7.596
  785   3HG2  VAL 102          HG23      VAL 102  16.487  -3.432  -8.459
  786    H    PHE 103           H        PHE 103  11.632  -2.810 -10.967
  787    HA   PHE 103           HA       PHE 103  11.620  -4.858 -13.106
  788   1HB   PHE 103          HB2       PHE 103   9.336  -3.120 -12.113
  789   2HB   PHE 103          HB3       PHE 103   9.368  -3.883 -13.696
  790    HD1  PHE 103           HD1      PHE 103   9.482  -4.686 -10.029
  791    HD2  PHE 103           HD2      PHE 103   8.623  -6.097 -14.015
  792    HE1  PHE 103           HE1      PHE 103   8.438  -6.729  -9.083
  793    HE2  PHE 103           HE2      PHE 103   7.583  -8.141 -13.064
  794    HZ   PHE 103           HZ       PHE 103   7.481  -8.458 -10.597
  795    H    THR 104           H        THR 104  11.556  -3.866 -15.197
  796    HA   THR 104           HA       THR 104  12.858  -1.237 -15.244
  797    HB   THR 104           HB       THR 104  12.306  -2.789 -17.755
  798    HG1  THR 104           HG1      THR 104  13.092  -4.384 -16.255
  799   1HG2  THR 104          HG21      THR 104  14.712  -1.276 -16.680
  800   2HG2  THR 104          HG22      THR 104  14.601  -2.019 -18.296
  801   3HG2  THR 104          HG23      THR 104  13.547  -0.656 -17.873
  802    H    LEU 105           H        LEU 105  11.999   0.533 -16.544
  803    HA   LEU 105           HA       LEU 105   9.361   1.002 -15.964
  804   1HB   LEU 105          HB2       LEU 105  10.954   2.811 -16.331
  805   2HB   LEU 105          HB3       LEU 105  10.932   2.480 -18.075
  806    HG   LEU 105           HG       LEU 105   8.516   3.000 -18.134
  807   1HD1  LEU 105          HD11      LEU 105   8.864   3.667 -15.167
  808   2HD1  LEU 105          HD12      LEU 105   7.475   4.188 -16.129
  809   3HD1  LEU 105          HD13      LEU 105   7.743   2.470 -15.863
  810   1HD2  LEU 105          HD21      LEU 105  10.258   4.822 -18.427
  811   2HD2  LEU 105          HD22      LEU 105   8.609   5.342 -18.006
  812   3HD2  LEU 105          HD23      LEU 105   9.848   5.328 -16.767
  813    H    LYS 106           H        LYS 106  10.455  -0.042 -19.259
  814    HA   LYS 106           HA       LYS 106   7.644  -0.298 -20.056
  815   1HB   LYS 106          HB2       LYS 106  10.219  -1.380 -21.255
  816   2HB   LYS 106          HB3       LYS 106   8.639  -1.715 -21.938
  817   1HG   LYS 106          HG2       LYS 106   9.627   1.136 -21.506
  818   2HG   LYS 106          HG3       LYS 106   9.924   0.216 -22.987
  819   1HD   LYS 106          HD2       LYS 106   7.527  -0.020 -23.404
  820   2HD   LYS 106          HD3       LYS 106   7.139   0.759 -21.875
  821   1HE   LYS 106          HE2       LYS 106   6.802   2.310 -23.683
  822   2HE   LYS 106          HE3       LYS 106   8.101   2.878 -22.632
  823   1HZ   LYS 106          HZ1       LYS 106   8.633   1.428 -25.164
  824   2HZ   LYS 106          HZ2       LYS 106   8.501   3.049 -25.088
  825   3HZ   LYS 106          HZ3       LYS 106   9.698   2.322 -24.265
  826    H    GLU 107           H        GLU 107  10.115  -2.595 -18.854
  827    HA   GLU 107           HA       GLU 107   8.805  -4.954 -19.218
  828   1HB   GLU 107          HB2       GLU 107  11.116  -4.698 -18.389
  829   2HB   GLU 107          HB3       GLU 107  10.479  -4.119 -16.849
  830   1HG   GLU 107          HG2       GLU 107   9.397  -6.383 -16.521
  831   2HG   GLU 107          HG3       GLU 107  10.229  -6.921 -17.988
  832    H    TYR 108           H        TYR 108   8.267  -2.751 -16.440
  833    HA   TYR 108           HA       TYR 108   6.626  -4.472 -14.932
  834   1HB   TYR 108          HB2       TYR 108   7.690  -2.321 -14.189
  835   2HB   TYR 108          HB3       TYR 108   6.475  -1.441 -15.104
  836    HD1  TYR 108           HD1      TYR 108   4.339  -1.011 -14.133
  837    HD2  TYR 108           HD2      TYR 108   6.931  -3.915 -12.318
  838    HE1  TYR 108           HE1      TYR 108   2.719  -1.283 -12.267
  839    HE2  TYR 108           HE2      TYR 108   5.393  -4.133 -10.413
  840    HH   TYR 108           HH       TYR 108   3.353  -3.495  -9.506
  841    H    VAL 109           H        VAL 109   5.896  -2.952 -17.936
  842    HA   VAL 109           HA       VAL 109   2.952  -3.197 -17.528
  843    HB   VAL 109           HB       VAL 109   4.433  -1.245 -19.337
  844   1HG1  VAL 109          HG11      VAL 109   2.338   0.040 -19.184
  845   2HG1  VAL 109          HG12      VAL 109   2.024  -1.584 -19.810
  846   3HG1  VAL 109          HG13      VAL 109   1.649  -1.203 -18.112
  847   1HG2  VAL 109          HG21      VAL 109   3.941   0.460 -17.521
  848   2HG2  VAL 109          HG22      VAL 109   3.641  -0.907 -16.426
  849   3HG2  VAL 109          HG23      VAL 109   5.247  -0.653 -17.157
  850    H    THR 110           H        THR 110   5.586  -3.332 -20.043
  851    HA   THR 110           HA       THR 110   3.761  -4.590 -21.950
  852    HB   THR 110           HB       THR 110   5.663  -4.299 -23.468
  853    HG1  THR 110           HG1      THR 110   7.612  -3.561 -22.699
  854   1HG2  THR 110          HG21      THR 110   5.436  -1.768 -21.748
  855   2HG2  THR 110          HG22      THR 110   5.842  -1.885 -23.471
  856   3HG2  THR 110          HG23      THR 110   4.208  -2.283 -22.923
  857    H    GLY 111           H        GLY 111   6.103  -5.579 -19.576
  858   1HA   GLY 111          HA2       GLY 111   6.729  -7.710 -18.938
  859   2HA   GLY 111          HA3       GLY 111   5.952  -8.400 -20.369
  860    H    SER 112           H        SER 112   8.028  -5.748 -21.250
  861    HA   SER 112           HA       SER 112  10.348  -7.541 -21.711
  862   1HB   SER 112          HB2       SER 112   9.048  -5.683 -23.748
  863   2HB   SER 112          HB3       SER 112  10.489  -6.683 -24.006
  864    HG   SER 112           HG       SER 112   8.576  -7.648 -24.836
  865    H    HIS 113           H        HIS 113  12.358  -6.503 -21.595
  866    HA   HIS 113           HA       HIS 113  12.539  -4.111 -20.092
  867   1HB   HIS 113          HB2       HIS 113  14.635  -5.435 -21.858
  868   2HB   HIS 113          HB3       HIS 113  14.951  -4.178 -20.667
  869    HD1  HIS 113           HD1      HIS 113  14.287  -4.973 -17.981
  870    HD2  HIS 113           HD2      HIS 113  14.815  -7.888 -20.988
  871    HE1  HIS 113           HE1      HIS 113  14.642  -7.189 -16.791
  872    H    GLY 114           H        GLY 114  12.981  -1.978 -20.654
  873   1HA   GLY 114          HA2       GLY 114  13.831  -0.840 -22.985
  874   2HA   GLY 114          HA3       GLY 114  12.084  -1.052 -23.226
  875    H    ASP 115           H        ASP 115  12.686   1.469 -23.228
  876    HA   ASP 115           HA       ASP 115  12.008   2.562 -20.582
  877   1HB   ASP 115          HB2       ASP 115  14.521   2.673 -21.026
  878   2HB   ASP 115          HB3       ASP 115  14.159   3.706 -22.401
  879    H    VAL 116           H        VAL 116  11.402   4.925 -20.885
  880    HA   VAL 116           HA       VAL 116   9.662   5.341 -23.262
  881    HB   VAL 116           HB       VAL 116   9.925   6.729 -20.553
  882   1HG1  VAL 116          HG11      VAL 116   7.736   7.835 -21.089
  883   2HG1  VAL 116          HG12      VAL 116   9.075   8.444 -22.039
  884   3HG1  VAL 116          HG13      VAL 116   7.915   7.301 -22.771
  885   1HG2  VAL 116          HG21      VAL 116   8.898   4.479 -20.419
  886   2HG2  VAL 116          HG22      VAL 116   7.700   5.736 -20.116
  887   3HG2  VAL 116          HG23      VAL 116   7.740   4.929 -21.692
  888    H    LEU 117           H        LEU 117   9.784   7.832 -23.948
  889    HA   LEU 117           HA       LEU 117  12.252   8.575 -25.092
  890   1HB   LEU 117          HB2       LEU 117   9.808   9.365 -25.501
  891   2HB   LEU 117          HB3       LEU 117  10.038  10.436 -24.128
  892    HG   LEU 117           HG       LEU 117  11.529  10.476 -26.789
  893   1HD1  LEU 117          HD11      LEU 117   9.583  12.451 -25.533
  894   2HD1  LEU 117          HD12      LEU 117  10.347  12.598 -27.129
  895   3HD1  LEU 117          HD13      LEU 117   9.190  11.294 -26.825
  896   1HD2  LEU 117          HD21      LEU 117  13.155  11.284 -25.233
  897   2HD2  LEU 117          HD22      LEU 117  12.463  12.670 -26.042
  898   3HD2  LEU 117          HD23      LEU 117  11.942  12.288 -24.387
  899    H    ASP 118           H        ASP 118  14.061   9.471 -24.094
  900    HA   ASP 118           HA       ASP 118  13.919  10.342 -21.256
  901   1HB   ASP 118          HB2       ASP 118  15.688   8.811 -21.588
  902   2HB   ASP 118          HB3       ASP 118  16.238   9.643 -23.048
  903    HA   PRO 119           HA       PRO 119  13.777  14.286 -23.490
  904   1HB   PRO 119          HB2       PRO 119  12.503  15.838 -21.663
  905   2HB   PRO 119          HB3       PRO 119  11.651  14.548 -22.535
  906   1HG   PRO 119          HG2       PRO 119  12.916  14.390 -19.773
  907   2HG   PRO 119          HG3       PRO 119  11.243  13.943 -20.235
  908   1HD   PRO 119          HD2       PRO 119  13.254  12.094 -20.089
  909   2HD   PRO 119          HD3       PRO 119  11.992  12.002 -21.355
  910    H    PHE 120           H        PHE 120  15.757  13.454 -20.810
  911    HA   PHE 120           HA       PHE 120  16.276  15.804 -19.534
  912   1HB   PHE 120          HB2       PHE 120  17.099  13.632 -18.832
  913   2HB   PHE 120          HB3       PHE 120  18.277  13.627 -20.139
  914    HD1  PHE 120           HD1      PHE 120  17.222  15.573 -17.067
  915    HD2  PHE 120           HD2      PHE 120  20.425  14.598 -19.802
  916    HE1  PHE 120           HE1      PHE 120  18.834  16.726 -15.596
  917    HE2  PHE 120           HE2      PHE 120  22.032  15.771 -18.320
  918    HZ   PHE 120           HZ       PHE 120  21.242  16.836 -16.213
  919    H    GLY 121           H        GLY 121  16.683  17.760 -20.328
  920   1HA   GLY 121          HA2       GLY 121  18.203  19.394 -21.016
  921   2HA   GLY 121          HA3       GLY 121  19.128  18.198 -21.930
  922    H    GLY 122           H        GLY 122  15.858  17.720 -22.708
  923   1HA   GLY 122          HA2       GLY 122  16.103  18.938 -25.337
  924   2HA   GLY 122          HA3       GLY 122  14.736  18.036 -24.672
  925    H    SER 123           H        SER 123  13.862  20.050 -26.063
  926    HA   SER 123           HA       SER 123  13.526  22.510 -24.511
  927   1HB   SER 123          HB2       SER 123  11.897  22.967 -26.424
  928   2HB   SER 123          HB3       SER 123  13.602  22.807 -26.865
  929    HG   SER 123           HG       SER 123  12.277  21.629 -28.277
  930    H    ILE 124           H        ILE 124  11.176  23.110 -24.031
  931    HA   ILE 124           HA       ILE 124  10.068  21.236 -22.268
  932    HB   ILE 124           HB       ILE 124   9.908  23.771 -22.363
  933   1HG1  ILE 124          HG12      ILE 124   8.875  22.499 -20.594
  934   2HG1  ILE 124          HG13      ILE 124   8.036  23.981 -21.003
  935   1HG2  ILE 124          HG21      ILE 124   7.488  23.272 -24.125
  936   2HG2  ILE 124          HG22      ILE 124   7.955  24.808 -23.373
  937   3HG2  ILE 124          HG23      ILE 124   8.998  24.074 -24.597
  938   1HD1  ILE 124          HD11      ILE 124   7.097  21.150 -21.541
  939   2HD1  ILE 124          HD12      ILE 124   6.384  22.373 -20.494
  940   3HD1  ILE 124          HD13      ILE 124   6.311  22.587 -22.247
  941    H    ASP 125           H        ASP 125   9.501  21.632 -25.726
  942    HA   ASP 125           HA       ASP 125   7.116  20.111 -25.873
  943   1HB   ASP 125          HB2       ASP 125   7.924  21.494 -27.734
  944   2HB   ASP 125          HB3       ASP 125   9.282  20.382 -27.970
  945    H    ILE 126           H        ILE 126  10.514  19.106 -25.612
  946    HA   ILE 126           HA       ILE 126   9.987  16.344 -26.368
  947    HB   ILE 126           HB       ILE 126  12.341  17.390 -24.766
  948   1HG1  ILE 126          HG12      ILE 126  12.295  18.728 -26.780
  949   2HG1  ILE 126          HG13      ILE 126  13.598  17.565 -26.881
  950   1HG2  ILE 126          HG21      ILE 126  12.013  14.942 -26.557
  951   2HG2  ILE 126          HG22      ILE 126  13.510  15.431 -25.729
  952   3HG2  ILE 126          HG23      ILE 126  12.087  14.939 -24.799
  953   1HD1  ILE 126          HD11      ILE 126  12.452  17.816 -29.035
  954   2HD1  ILE 126          HD12      ILE 126  12.246  16.164 -28.436
  955   3HD1  ILE 126          HD13      ILE 126  10.910  17.334 -28.314
  956    H    TYR 127           H        TYR 127  10.170  18.192 -23.331
  957    HA   TYR 127           HA       TYR 127   9.697  15.952 -21.613
  958   1HB   TYR 127          HB2       TYR 127   9.331  18.956 -21.284
  959   2HB   TYR 127          HB3       TYR 127   8.927  17.808 -20.020
  960    HD1  TYR 127           HD1      TYR 127  10.573  16.544 -18.870
  961    HD2  TYR 127           HD2      TYR 127  11.769  19.243 -21.969
  962    HE1  TYR 127           HE1      TYR 127  12.923  16.434 -18.035
  963    HE2  TYR 127           HE2      TYR 127  14.117  19.127 -21.193
  964    HH   TYR 127           HH       TYR 127  15.081  17.266 -18.289
  965    H    LYS 128           H        LYS 128   7.574  18.241 -23.275
  966    HA   LYS 128           HA       LYS 128   5.106  17.203 -22.291
  967   1HB   LYS 128          HB2       LYS 128   5.032  19.308 -23.249
  968   2HB   LYS 128          HB3       LYS 128   5.931  18.845 -24.667
  969   1HG   LYS 128          HG2       LYS 128   3.087  17.901 -24.189
  970   2HG   LYS 128          HG3       LYS 128   3.503  19.425 -24.966
  971   1HD   LYS 128          HD2       LYS 128   5.025  17.791 -26.514
  972   2HD   LYS 128          HD3       LYS 128   3.805  16.625 -26.002
  973   1HE   LYS 128          HE2       LYS 128   3.061  17.498 -28.059
  974   2HE   LYS 128          HE3       LYS 128   2.024  18.222 -26.825
  975   1HZ   LYS 128          HZ1       LYS 128   4.390  19.556 -28.052
  976   2HZ   LYS 128          HZ2       LYS 128   2.835  19.812 -28.507
  977   3HZ   LYS 128          HZ3       LYS 128   3.322  20.252 -27.016
  978    H    GLN 129           H        GLN 129   7.030  16.234 -25.156
  979    HA   GLN 129           HA       GLN 129   5.186  14.253 -26.043
  980   1HB   GLN 129          HB2       GLN 129   8.213  14.489 -26.350
  981   2HB   GLN 129          HB3       GLN 129   7.283  13.161 -27.047
  982   1HG   GLN 129          HG2       GLN 129   5.972  14.726 -28.407
  983   2HG   GLN 129          HG3       GLN 129   6.824  16.094 -27.702
  984   1HE2  GLN 129          HE22      GLN 129   8.223  16.930 -29.293
  985   2HE2  GLN 129          HE21      GLN 129   9.262  15.921 -30.277
  986    H    THR 130           H        THR 130   7.879  14.119 -23.744
  987    HA   THR 130           HA       THR 130   7.679  11.351 -23.174
  988    HB   THR 130           HB       THR 130   8.670  13.626 -21.395
  989    HG1  THR 130           HG1      THR 130   9.776  13.613 -23.325
  990   1HG2  THR 130          HG21      THR 130   9.321  10.652 -21.357
  991   2HG2  THR 130          HG22      THR 130  10.060  11.901 -20.331
  992   3HG2  THR 130          HG23      THR 130   8.355  11.511 -20.135
  993    H    ARG 131           H        ARG 131   6.145  14.186 -21.588
  994    HA   ARG 131           HA       ARG 131   5.080  12.618 -19.485
  995   1HB   ARG 131          HB2       ARG 131   4.134  14.509 -18.638
  996   2HB   ARG 131          HB3       ARG 131   5.299  15.258 -19.721
  997   1HG   ARG 131          HG2       ARG 131   3.374  15.296 -21.452
  998   2HG   ARG 131          HG3       ARG 131   2.307  14.863 -20.113
  999   1HD   ARG 131          HD2       ARG 131   2.760  16.973 -19.007
 1000   2HD   ARG 131          HD3       ARG 131   4.085  17.320 -20.135
 1001    HE   ARG 131           HE       ARG 131   1.714  16.892 -21.639
 1002   1HH1  ARG 131          HH21      ARG 131   2.944  19.454 -19.434
 1003   2HH1  ARG 131          HH22      ARG 131   2.528  20.698 -20.605
 1004   1HH2  ARG 131          HH11      ARG 131   0.939  18.713 -22.903
 1005   2HH2  ARG 131          HH12      ARG 131   1.386  20.320 -22.366
 1006    H    ASP 132           H        ASP 132   3.834  13.292 -22.728
 1007    HA   ASP 132           HA       ASP 132   1.196  12.315 -22.215
 1008   1HB   ASP 132          HB2       ASP 132   1.692  13.739 -24.144
 1009   2HB   ASP 132          HB3       ASP 132   2.792  12.522 -24.798
 1010    H    GLU 133           H        GLU 133   4.181  10.740 -23.375
 1011    HA   GLU 133           HA       GLU 133   2.891   8.199 -23.828
 1012   1HB   GLU 133          HB2       GLU 133   5.032   8.994 -24.928
 1013   2HB   GLU 133          HB3       GLU 133   5.840   8.864 -23.368
 1014   1HG   GLU 133          HG2       GLU 133   6.385   6.915 -24.642
 1015   2HG   GLU 133          HG3       GLU 133   5.321   6.402 -23.342
 1016    H    LEU 134           H        LEU 134   4.737   9.694 -21.235
 1017    HA   LEU 134           HA       LEU 134   4.947   7.497 -19.492
 1018   1HB   LEU 134          HB2       LEU 134   6.242   9.689 -19.491
 1019   2HB   LEU 134          HB3       LEU 134   4.810  10.459 -18.802
 1020    HG   LEU 134           HG       LEU 134   5.054   8.958 -16.793
 1021   1HD1  LEU 134          HD11      LEU 134   7.638   8.161 -18.208
 1022   2HD1  LEU 134          HD12      LEU 134   7.283   7.822 -16.502
 1023   3HD1  LEU 134          HD13      LEU 134   6.304   7.075 -17.770
 1024   1HD2  LEU 134          HD21      LEU 134   5.962  11.238 -16.783
 1025   2HD2  LEU 134          HD22      LEU 134   7.092  10.163 -15.949
 1026   3HD2  LEU 134          HD23      LEU 134   7.437  10.695 -17.602
 1027    H    GLU 135           H        GLU 135   2.425  10.031 -19.801
 1028    HA   GLU 135           HA       GLU 135   0.904   9.188 -17.572
 1029   1HB   GLU 135          HB2       GLU 135   0.618  11.365 -18.788
 1030   2HB   GLU 135          HB3       GLU 135  -0.090  10.484 -20.151
 1031   1HG   GLU 135          HG2       GLU 135  -1.892   9.658 -18.564
 1032   2HG   GLU 135          HG3       GLU 135  -1.184  10.686 -17.312
 1033    H    GLU 136           H        GLU 136   0.825   8.102 -20.978
 1034    HA   GLU 136           HA       GLU 136  -1.484   6.461 -20.563
 1035   1HB   GLU 136          HB2       GLU 136  -0.523   7.337 -22.799
 1036   2HB   GLU 136          HB3       GLU 136   0.647   6.022 -22.686
 1037   1HG   GLU 136          HG2       GLU 136  -1.092   5.206 -24.063
 1038   2HG   GLU 136          HG3       GLU 136  -1.350   4.417 -22.515
 1039    H    LEU 137           H        LEU 137   2.013   5.883 -20.362
 1040    HA   LEU 137           HA       LEU 137   1.895   3.087 -19.840
 1041   1HB   LEU 137          HB2       LEU 137   3.952   4.464 -20.474
 1042   2HB   LEU 137          HB3       LEU 137   3.928   5.111 -18.832
 1043    HG   LEU 137           HG       LEU 137   3.920   2.595 -18.086
 1044   1HD1  LEU 137          HD11      LEU 137   5.110   1.082 -19.671
 1045   2HD1  LEU 137          HD12      LEU 137   3.569   1.616 -20.365
 1046   3HD1  LEU 137          HD13      LEU 137   5.085   2.349 -20.909
 1047   1HD2  LEU 137          HD21      LEU 137   6.418   3.786 -19.317
 1048   2HD2  LEU 137          HD22      LEU 137   5.754   4.177 -17.711
 1049   3HD2  LEU 137          HD23      LEU 137   6.317   2.534 -18.051
 1050    H    LEU 138           H        LEU 138   1.862   5.946 -17.685
 1051    HA   LEU 138           HA       LEU 138   1.844   4.369 -15.297
 1052   1HB   LEU 138          HB2       LEU 138   1.603   7.281 -15.947
 1053   2HB   LEU 138          HB3       LEU 138   0.997   6.745 -14.400
 1054    HG   LEU 138           HG       LEU 138   3.069   5.890 -13.669
 1055   1HD1  LEU 138          HD11      LEU 138   4.032   4.858 -15.707
 1056   2HD1  LEU 138          HD12      LEU 138   4.350   6.471 -16.364
 1057   3HD1  LEU 138          HD13      LEU 138   5.178   5.924 -14.901
 1058   1HD2  LEU 138          HD21      LEU 138   4.454   7.889 -13.701
 1059   2HD2  LEU 138          HD22      LEU 138   3.537   8.530 -15.087
 1060   3HD2  LEU 138          HD23      LEU 138   2.745   8.302 -13.512
 1061    H    ARG 139           H        ARG 139  -0.722   5.575 -17.376
 1062    HA   ARG 139           HA       ARG 139  -2.904   4.967 -15.610
 1063   1HB   ARG 139          HB2       ARG 139  -3.042   6.297 -17.736
 1064   2HB   ARG 139          HB3       ARG 139  -2.678   4.831 -18.643
 1065   1HG   ARG 139          HG2       ARG 139  -4.841   3.835 -17.692
 1066   2HG   ARG 139          HG3       ARG 139  -5.201   5.477 -17.083
 1067   1HD   ARG 139          HD2       ARG 139  -4.839   6.352 -19.418
 1068   2HD   ARG 139          HD3       ARG 139  -4.541   4.686 -19.954
 1069    HE   ARG 139           HE       ARG 139  -7.120   4.985 -18.685
 1070   1HH1  ARG 139          HH21      ARG 139  -5.319   5.500 -21.728
 1071   2HH1  ARG 139          HH22      ARG 139  -6.739   5.453 -22.723
 1072   1HH2  ARG 139          HH11      ARG 139  -9.000   4.906 -20.038
 1073   2HH2  ARG 139          HH12      ARG 139  -8.865   5.096 -21.743
 1074    H    GLN 140           H        GLN 140  -0.982   3.011 -17.916
 1075    HA   GLN 140           HA       GLN 140  -2.415   0.613 -17.281
 1076   1HB   GLN 140          HB2       GLN 140   0.331   0.922 -18.501
 1077   2HB   GLN 140          HB3       GLN 140  -0.582  -0.590 -18.355
 1078   1HG   GLN 140          HG2       GLN 140  -2.310   0.227 -19.849
 1079   2HG   GLN 140          HG3       GLN 140  -1.545   1.814 -19.947
 1080   1HE2  GLN 140          HE22      GLN 140  -0.993  -1.684 -20.695
 1081   2HE2  GLN 140          HE21      GLN 140   0.144  -1.390 -21.983
 1082    H    LEU 141           H        LEU 141   0.442   2.170 -15.765
 1083    HA   LEU 141           HA       LEU 141   1.001   0.054 -13.949
 1084   1HB   LEU 141          HB2       LEU 141   1.325   3.050 -13.692
 1085   2HB   LEU 141          HB3       LEU 141   1.367   2.083 -12.244
 1086    HG   LEU 141           HG       LEU 141   3.235   0.784 -13.054
 1087   1HD1  LEU 141          HD11      LEU 141   2.835   0.982 -15.484
 1088   2HD1  LEU 141          HD12      LEU 141   3.335   2.678 -15.426
 1089   3HD1  LEU 141          HD13      LEU 141   4.498   1.398 -15.023
 1090   1HD2  LEU 141          HD21      LEU 141   4.912   2.592 -12.898
 1091   2HD2  LEU 141          HD22      LEU 141   3.638   3.794 -13.136
 1092   3HD2  LEU 141          HD23      LEU 141   3.632   2.767 -11.688
 1093    H    ALA 142           H        ALA 142  -1.443   2.644 -13.738
 1094    HA   ALA 142           HA       ALA 142  -2.433   1.828 -11.207
 1095   1HB   ALA 142          HB1       ALA 142  -3.940   3.251 -13.450
 1096   2HB   ALA 142          HB2       ALA 142  -4.439   3.121 -11.759
 1097   3HB   ALA 142          HB3       ALA 142  -2.974   4.033 -12.176
 1098    H    LYS 143           H        LYS 143  -3.352   0.863 -14.512
 1099    HA   LYS 143           HA       LYS 143  -5.430  -0.942 -13.772
 1100   1HB   LYS 143          HB2       LYS 143  -3.506  -1.112 -16.128
 1101   2HB   LYS 143          HB3       LYS 143  -4.898  -2.160 -15.905
 1102   1HG   LYS 143          HG2       LYS 143  -6.439  -0.291 -16.043
 1103   2HG   LYS 143          HG3       LYS 143  -5.106   0.870 -16.135
 1104   1HD   LYS 143          HD2       LYS 143  -4.322  -0.170 -18.248
 1105   2HD   LYS 143          HD3       LYS 143  -5.650  -1.329 -18.189
 1106   1HE   LYS 143          HE2       LYS 143  -5.988   1.706 -18.332
 1107   2HE   LYS 143          HE3       LYS 143  -6.011   0.632 -19.732
 1108   1HZ   LYS 143          HZ1       LYS 143  -8.243   1.110 -19.001
 1109   2HZ   LYS 143          HZ2       LYS 143  -7.953  -0.475 -18.785
 1110   3HZ   LYS 143          HZ3       LYS 143  -7.962   0.542 -17.501
 1111    H    GLN 144           H        GLN 144  -1.914  -1.504 -14.095
 1112    HA   GLN 144           HA       GLN 144  -1.963  -4.278 -13.555
 1113   1HB   GLN 144          HB2       GLN 144   0.202  -2.203 -13.021
 1114   2HB   GLN 144          HB3       GLN 144   0.443  -3.920 -12.765
 1115   1HG   GLN 144          HG2       GLN 144  -0.396  -2.845 -15.485
 1116   2HG   GLN 144          HG3       GLN 144   1.280  -2.872 -14.959
 1117   1HE2  GLN 144          HE22      GLN 144   2.400  -4.640 -15.690
 1118   2HE2  GLN 144          HE21      GLN 144   1.678  -6.205 -16.023
 1119    H    LEU 145           H        LEU 145  -1.458  -1.517 -11.253
 1120    HA   LEU 145           HA       LEU 145  -1.301  -3.205  -8.966
 1121   1HB   LEU 145          HB2       LEU 145  -2.127  -0.283  -9.210
 1122   2HB   LEU 145          HB3       LEU 145  -1.858  -1.111  -7.677
 1123    HG   LEU 145           HG       LEU 145   0.245  -0.630  -9.829
 1124   1HD1  LEU 145          HD11      LEU 145   0.023   0.462  -6.996
 1125   2HD1  LEU 145          HD12      LEU 145   1.199   0.923  -8.254
 1126   3HD1  LEU 145          HD13      LEU 145  -0.508   1.337  -8.442
 1127   1HD2  LEU 145          HD21      LEU 145   0.777  -2.744  -8.710
 1128   2HD2  LEU 145          HD22      LEU 145   1.863  -1.480  -8.149
 1129   3HD2  LEU 145          HD23      LEU 145   0.507  -2.005  -7.115
 1130    H    LYS 146           H        LYS 146  -4.168  -1.598 -10.445
 1131    HA   LYS 146           HA       LYS 146  -5.940  -2.482  -8.359
 1132   1HB   LYS 146          HB2       LYS 146  -6.249  -1.290 -11.099
 1133   2HB   LYS 146          HB3       LYS 146  -7.630  -2.194 -10.448
 1134   1HG   LYS 146          HG2       LYS 146  -7.531  -0.824  -8.370
 1135   2HG   LYS 146          HG3       LYS 146  -6.212   0.123  -9.080
 1136   1HD   LYS 146          HD2       LYS 146  -7.699   0.886 -10.892
 1137   2HD   LYS 146          HD3       LYS 146  -9.013  -0.138 -10.262
 1138   1HE   LYS 146          HE2       LYS 146  -8.930   1.123  -8.101
 1139   2HE   LYS 146          HE3       LYS 146  -7.674   2.166  -8.777
 1140   1HZ   LYS 146          HZ1       LYS 146  -9.275   2.875 -10.473
 1141   2HZ   LYS 146          HZ2       LYS 146 -10.454   1.961  -9.770
 1142   3HZ   LYS 146          HZ3       LYS 146  -9.788   3.223  -8.953
 1143    H    LYS 147           H        LYS 147  -4.716  -4.145 -11.292
 1144    HA   LYS 147           HA       LYS 147  -6.490  -6.418 -10.938
 1145   1HB   LYS 147          HB2       LYS 147  -3.836  -6.085 -12.394
 1146   2HB   LYS 147          HB3       LYS 147  -4.697  -7.621 -12.291
 1147   1HG   LYS 147          HG2       LYS 147  -6.648  -6.693 -13.401
 1148   2HG   LYS 147          HG3       LYS 147  -5.920  -5.079 -13.438
 1149   1HD   LYS 147          HD2       LYS 147  -4.074  -5.930 -14.861
 1150   2HD   LYS 147          HD3       LYS 147  -4.793  -7.559 -14.817
 1151   1HE   LYS 147          HE2       LYS 147  -6.872  -6.646 -15.841
 1152   2HE   LYS 147          HE3       LYS 147  -6.127  -5.044 -15.917
 1153   1HZ   LYS 147          HZ1       LYS 147  -5.949  -6.205 -18.028
 1154   2HZ   LYS 147          HZ2       LYS 147  -4.454  -5.976 -17.422
 1155   3HZ   LYS 147          HZ3       LYS 147  -5.154  -7.453 -17.351
 1156    H    ASP 148           H        ASP 148  -2.992  -5.866  -9.997
 1157    HA   ASP 148           HA       ASP 148  -3.412  -7.262  -7.493
 1158   1HB   ASP 148          HB2       ASP 148  -3.197  -9.155  -9.218
 1159   2HB   ASP 148          HB3       ASP 148  -1.568  -8.561  -9.545
 1160    H    ARG 149           H        ARG 149  -1.471  -7.235  -6.175
 1161    HA   ARG 149           HA       ARG 149   0.564  -5.182  -6.788
 1162   1HB   ARG 149          HB2       ARG 149  -0.085  -5.453  -4.464
 1163   2HB   ARG 149          HB3       ARG 149   0.178  -7.200  -4.533
 1164   1HG   ARG 149          HG2       ARG 149   2.602  -6.850  -4.848
 1165   2HG   ARG 149          HG3       ARG 149   2.370  -5.092  -4.816
 1166   1HD   ARG 149          HD2       ARG 149   1.669  -5.148  -2.517
 1167   2HD   ARG 149          HD3       ARG 149   1.491  -6.902  -2.525
 1168    HE   ARG 149           HE       ARG 149   4.001  -5.335  -2.360
 1169   1HH1  ARG 149          HH21      ARG 149   2.605  -8.596  -2.720
 1170   2HH1  ARG 149          HH22      ARG 149   4.043  -9.400  -2.212
 1171   1HH2  ARG 149          HH11      ARG 149   5.845  -6.370  -1.632
 1172   2HH2  ARG 149          HH12      ARG 149   5.941  -8.107  -1.593
 1173    H    ARG 150           H        ARG 150   1.899  -5.769  -8.478
 1174    HA   ARG 150           HA       ARG 150   2.476  -8.463  -9.237
 1175   1HB   ARG 150          HB2       ARG 150   4.137  -5.957  -9.748
 1176   2HB   ARG 150          HB3       ARG 150   4.365  -7.529 -10.504
 1177   1HG   ARG 150          HG2       ARG 150   1.841  -7.264 -11.253
 1178   2HG   ARG 150          HG3       ARG 150   2.090  -5.557 -10.869
 1179   1HD   ARG 150          HD2       ARG 150   2.458  -5.907 -13.231
 1180   2HD   ARG 150          HD3       ARG 150   4.017  -5.522 -12.482
 1181    HE   ARG 150           HE       ARG 150   3.561  -8.360 -12.563
 1182   1HH1  ARG 150          HH21      ARG 150   4.464  -5.710 -14.769
 1183   2HH1  ARG 150          HH22      ARG 150   5.434  -6.724 -15.781
 1184   1HH2  ARG 150          HH11      ARG 150   4.825  -9.681 -13.929
 1185   2HH2  ARG 150          HH12      ARG 150   5.611  -9.023 -15.310
  Start of MODEL   11
    1   1H    MET   1           H1       MET   1   2.708  -0.595   0.484
    2   2H    MET   1           H2       MET   1   1.415   0.138  -0.188
    3   3H    MET   1           H3       MET   1   1.545  -1.499  -0.237
    4    HA   MET   1           HA       MET   1   3.508  -1.335  -1.636
    5   1HB   MET   1          HB2       MET   1   1.271  -1.562  -2.708
    6   2HB   MET   1          HB3       MET   1   1.108   0.191  -2.761
    7   1HG   MET   1          HG2       MET   1   1.804  -0.811  -4.916
    8   2HG   MET   1          HG3       MET   1   2.961   0.375  -4.332
    9   1HE   MET   1          HE1       MET   1   3.907  -1.313  -6.641
   10   2HE   MET   1          HE2       MET   1   4.548  -2.947  -6.332
   11   3HE   MET   1          HE3       MET   1   2.808  -2.669  -6.293
   12    H    ASP   2           H        ASP   2   5.342  -0.094  -1.949
   13    HA   ASP   2           HA       ASP   2   5.069   2.829  -2.081
   14   1HB   ASP   2          HB2       ASP   2   5.726   2.532   0.206
   15   2HB   ASP   2          HB3       ASP   2   6.977   1.365  -0.255
   16    H    ILE   3           H        ILE   3   6.100   3.527  -3.838
   17    HA   ILE   3           HA       ILE   3   7.823   1.599  -5.288
   18    HB   ILE   3           HB       ILE   3   6.101   3.808  -6.429
   19   1HG1  ILE   3          HG12      ILE   3   5.324   0.882  -6.116
   20   2HG1  ILE   3          HG13      ILE   3   4.608   2.248  -5.271
   21   1HG2  ILE   3          HG21      ILE   3   6.364   2.576  -8.578
   22   2HG2  ILE   3          HG22      ILE   3   7.887   3.153  -7.928
   23   3HG2  ILE   3          HG23      ILE   3   7.463   1.442  -7.758
   24   1HD1  ILE   3          HD11      ILE   3   4.339   1.646  -8.221
   25   2HD1  ILE   3          HD12      ILE   3   3.098   1.660  -6.959
   26   3HD1  ILE   3          HD13      ILE   3   3.840   3.183  -7.470
   27    H    ILE   4           H        ILE   4   9.875   2.266  -5.885
   28    HA   ILE   4           HA       ILE   4  10.559   5.141  -5.621
   29    HB   ILE   4           HB       ILE   4  12.429   2.764  -5.657
   30   1HG1  ILE   4          HG12      ILE   4  11.998   4.663  -3.324
   31   2HG1  ILE   4          HG13      ILE   4  11.025   3.205  -3.495
   32   1HG2  ILE   4          HG21      ILE   4  12.984   5.752  -5.271
   33   2HG2  ILE   4          HG22      ILE   4  14.194   4.459  -5.163
   34   3HG2  ILE   4          HG23      ILE   4  13.424   4.793  -6.697
   35   1HD1  ILE   4          HD11      ILE   4  13.027   1.785  -3.510
   36   2HD1  ILE   4          HD12      ILE   4  14.072   3.205  -3.383
   37   3HD1  ILE   4          HD13      ILE   4  12.973   2.785  -2.064
   38    H    PHE   5           H        PHE   5  10.375   6.109  -7.597
   39    HA   PHE   5           HA       PHE   5  10.916   4.631 -10.076
   40   1HB   PHE   5          HB2       PHE   5  10.285   7.556  -9.476
   41   2HB   PHE   5          HB3       PHE   5  10.610   6.936 -11.088
   42    HD1  PHE   5           HD1      PHE   5   9.107   4.946 -11.926
   43    HD2  PHE   5           HD2      PHE   5   8.042   7.604  -8.695
   44    HE1  PHE   5           HE1      PHE   5   6.714   4.377 -12.245
   45    HE2  PHE   5           HE2      PHE   5   5.646   7.025  -9.026
   46    HZ   PHE   5           HZ       PHE   5   4.980   5.414 -10.793
   47    H    VAL   6           H        VAL   6  12.962   4.678 -11.088
   48    HA   VAL   6           HA       VAL   6  14.974   6.492  -9.930
   49    HB   VAL   6           HB       VAL   6  14.985   4.632  -8.473
   50   1HG1  VAL   6          HG11      VAL   6  14.015   2.876  -9.943
   51   2HG1  VAL   6          HG12      VAL   6  15.603   2.751 -10.758
   52   3HG1  VAL   6          HG13      VAL   6  15.434   2.364  -9.038
   53   1HG2  VAL   6          HG21      VAL   6  17.150   5.556  -8.831
   54   2HG2  VAL   6          HG22      VAL   6  17.323   3.812  -8.695
   55   3HG2  VAL   6          HG23      VAL   6  17.426   4.561 -10.287
   56    H    CYS   7           H        CYS   7  16.430   7.296 -11.171
   57    HA   CYS   7           HA       CYS   7  17.488   5.871 -13.426
   58   1HB   CYS   7          HB2       CYS   7  17.349   7.801 -14.996
   59   2HB   CYS   7          HB3       CYS   7  15.782   7.080 -14.654
   60    HG   CYS   7           HG       CYS   7  14.972   8.796 -12.918
   61    H    THR   8           H        THR   8  19.549   7.055 -14.206
   62    HA   THR   8           HA       THR   8  21.203   7.101 -12.035
   63    HB   THR   8           HB       THR   8  22.717   8.448 -13.823
   64    HG1  THR   8           HG1      THR   8  21.971   8.160 -15.867
   65   1HG2  THR   8          HG21      THR   8  23.202   6.211 -14.835
   66   2HG2  THR   8          HG22      THR   8  23.112   6.189 -13.068
   67   3HG2  THR   8          HG23      THR   8  21.759   5.560 -14.011
   68    H    GLY   9           H        GLY   9  19.889  10.057 -13.589
   69   1HA   GLY   9          HA2       GLY   9  21.209  11.718 -11.536
   70   2HA   GLY   9          HA3       GLY   9  20.423  12.245 -13.030
   71    H    ASN  10           H        ASN  10  18.348  10.062 -11.567
   72    HA   ASN  10           HA       ASN  10  16.293  10.168 -10.757
   73   1HB   ASN  10          HB2       ASN  10  17.309  10.805  -8.641
   74   2HB   ASN  10          HB3       ASN  10  17.283  12.508  -9.101
   75   1HD2  ASN  10          HD22      ASN  10  15.565  13.634  -8.206
   76   2HD2  ASN  10          HD21      ASN  10  14.050  12.888  -7.733
   77    H    THR  11           H        THR  11  17.247  13.609 -11.413
   78    HA   THR  11           HA       THR  11  14.597  14.502 -11.755
   79    HB   THR  11           HB       THR  11  15.764  16.496 -12.774
   80    HG1  THR  11           HG1      THR  11  18.024  16.443 -12.786
   81   1HG2  THR  11          HG21      THR  11  16.874  17.165 -10.714
   82   2HG2  THR  11          HG22      THR  11  15.458  16.193 -10.279
   83   3HG2  THR  11          HG23      THR  11  17.085  15.478 -10.217
   84    H    CYS  12           H        CYS  12  16.643  12.792 -14.009
   85    HA   CYS  12           HA       CYS  12  15.881  13.835 -16.433
   86   1HB   CYS  12          HB2       CYS  12  16.364  10.871 -15.946
   87   2HB   CYS  12          HB3       CYS  12  16.680  11.794 -17.415
   88    HG   CYS  12           HG       CYS  12  18.957  11.178 -16.322
   89    H    ARG  13           H        ARG  13  14.016  11.519 -14.453
   90    HA   ARG  13           HA       ARG  13  11.638  12.306 -15.873
   91   1HB   ARG  13          HB2       ARG  13  12.779  10.342 -17.290
   92   2HB   ARG  13          HB3       ARG  13  12.058   9.309 -16.053
   93   1HG   ARG  13          HG2       ARG  13   9.827  10.445 -16.553
   94   2HG   ARG  13          HG3       ARG  13  10.627  11.319 -17.861
   95   1HD   ARG  13          HD2       ARG  13  10.187   8.314 -17.629
   96   2HD   ARG  13          HD3       ARG  13   9.417   9.428 -18.755
   97    HE   ARG  13           HE       ARG  13  11.411   9.654 -20.010
   98   1HH1  ARG  13          HH21      ARG  13  11.650   7.074 -17.551
   99   2HH1  ARG  13          HH22      ARG  13  13.037   6.363 -18.289
  100   1HH2  ARG  13          HH11      ARG  13  13.159   8.659 -20.950
  101   2HH2  ARG  13          HH12      ARG  13  13.999   7.344 -20.207
  102    H    SER  14           H        SER  14  13.158  10.286 -13.309
  103    HA   SER  14           HA       SER  14  10.960   9.021 -12.367
  104   1HB   SER  14          HB2       SER  14  13.125  10.217 -10.636
  105   2HB   SER  14          HB3       SER  14  12.105   8.804 -10.293
  106    HG   SER  14           HG       SER  14  14.141   8.232 -11.079
  107    HA   PRO  15           HA       PRO  15   9.452  12.482  -9.546
  108   1HB   PRO  15          HB2       PRO  15   9.976  15.121  -9.995
  109   2HB   PRO  15          HB3       PRO  15  10.987  14.050  -8.981
  110   1HG   PRO  15          HG2       PRO  15  11.440  14.806 -11.879
  111   2HG   PRO  15          HG3       PRO  15  12.615  14.836 -10.523
  112   1HD   PRO  15          HD2       PRO  15  12.478  12.752 -12.245
  113   2HD   PRO  15          HD3       PRO  15  12.791  12.478 -10.503
  114    H    MET  16           H        MET  16   9.677  12.976 -13.071
  115    HA   MET  16           HA       MET  16   7.126  14.293 -13.340
  116   1HB   MET  16          HB2       MET  16   8.569  12.509 -15.346
  117   2HB   MET  16          HB3       MET  16   7.182  13.532 -15.666
  118   1HG   MET  16          HG2       MET  16   8.474  15.540 -15.291
  119   2HG   MET  16          HG3       MET  16   9.854  14.611 -14.701
  120   1HE   MET  16          HE1       MET  16   7.711  13.524 -17.961
  121   2HE   MET  16          HE2       MET  16   7.549  15.297 -17.771
  122   3HE   MET  16          HE3       MET  16   8.475  14.625 -19.132
  123    H    ALA  17           H        ALA  17   8.330  10.939 -13.384
  124    HA   ALA  17           HA       ALA  17   5.798   9.746 -13.865
  125   1HB   ALA  17          HB1       ALA  17   8.218   8.497 -12.466
  126   2HB   ALA  17          HB2       ALA  17   6.888   7.631 -13.247
  127   3HB   ALA  17          HB3       ALA  17   8.020   8.587 -14.227
  128    H    GLU  18           H        GLU  18   7.543  10.537 -10.898
  129    HA   GLU  18           HA       GLU  18   5.755   9.438  -9.036
  130   1HB   GLU  18          HB2       GLU  18   8.080  10.372  -8.679
  131   2HB   GLU  18          HB3       GLU  18   7.412  11.994  -8.839
  132   1HG   GLU  18          HG2       GLU  18   5.986  11.540  -6.811
  133   2HG   GLU  18          HG3       GLU  18   6.851   9.994  -6.647
  134    H    ALA  19           H        ALA  19   5.800  12.695 -10.501
  135    HA   ALA  19           HA       ALA  19   3.553  13.596  -8.993
  136   1HB   ALA  19          HB1       ALA  19   4.700  14.631 -11.639
  137   2HB   ALA  19          HB2       ALA  19   3.651  15.543 -10.536
  138   3HB   ALA  19          HB3       ALA  19   5.276  15.089 -10.020
  139    H    LEU  20           H        LEU  20   3.881  12.186 -12.220
  140    HA   LEU  20           HA       LEU  20   1.103  12.480 -12.917
  141   1HB   LEU  20          HB2       LEU  20   3.303  10.644 -13.940
  142   2HB   LEU  20          HB3       LEU  20   1.636  10.478 -14.480
  143    HG   LEU  20           HG       LEU  20   3.475  12.835 -14.995
  144   1HD1  LEU  20          HD11      LEU  20   3.804  10.823 -16.363
  145   2HD1  LEU  20          HD12      LEU  20   2.095  10.856 -16.833
  146   3HD1  LEU  20          HD13      LEU  20   3.182  12.169 -17.330
  147   1HD2  LEU  20          HD21      LEU  20   0.516  12.520 -15.695
  148   2HD2  LEU  20          HD22      LEU  20   1.238  13.775 -14.660
  149   3HD2  LEU  20          HD23      LEU  20   1.605  13.746 -16.382
  150    H    PHE  21           H        PHE  21   2.993   9.841 -11.360
  151    HA   PHE  21           HA       PHE  21   0.663   8.192 -11.422
  152   1HB   PHE  21          HB2       PHE  21   3.032   7.277 -11.275
  153   2HB   PHE  21          HB3       PHE  21   2.967   7.648  -9.544
  154    HD1  PHE  21           HD1      PHE  21   1.150   5.901 -12.323
  155    HD2  PHE  21           HD2      PHE  21   1.682   6.161  -8.056
  156    HE1  PHE  21           HE1      PHE  21  -0.425   4.045 -12.025
  157    HE2  PHE  21           HE2      PHE  21   0.121   4.244  -7.769
  158    HZ   PHE  21           HZ       PHE  21  -0.973   3.224  -9.742
  159    H    LYS  22           H        LYS  22   1.946  10.451  -8.977
  160    HA   LYS  22           HA       LYS  22   0.046   9.718  -6.975
  161   1HB   LYS  22          HB2       LYS  22   1.457  12.346  -7.597
  162   2HB   LYS  22          HB3       LYS  22   0.330  12.173  -6.239
  163   1HG   LYS  22          HG2       LYS  22   1.688  10.406  -5.231
  164   2HG   LYS  22          HG3       LYS  22   2.731  10.357  -6.637
  165   1HD   LYS  22          HD2       LYS  22   3.873  11.523  -4.865
  166   2HD   LYS  22          HD3       LYS  22   3.526  12.657  -6.179
  167   1HE   LYS  22          HE2       LYS  22   1.563  13.521  -4.919
  168   2HE   LYS  22          HE3       LYS  22   1.866  12.350  -3.630
  169   1HZ   LYS  22          HZ1       LYS  22   2.757  14.522  -3.083
  170   2HZ   LYS  22          HZ2       LYS  22   3.982  13.459  -3.208
  171   3HZ   LYS  22          HZ3       LYS  22   3.707  14.542  -4.405
  172    H    SER  23           H        SER  23  -0.161  12.064  -9.676
  173    HA   SER  23           HA       SER  23  -2.817  12.813  -9.017
  174   1HB   SER  23          HB2       SER  23  -1.480  12.842 -11.753
  175   2HB   SER  23          HB3       SER  23  -2.872  13.819 -11.236
  176    HG   SER  23           HG       SER  23  -0.173  13.935 -10.358
  177    H    ILE  24           H        ILE  24  -1.629  10.206 -11.118
  178    HA   ILE  24           HA       ILE  24  -4.228   9.453 -12.056
  179    HB   ILE  24           HB       ILE  24  -1.541   8.042 -12.044
  180   1HG1  ILE  24          HG12      ILE  24  -3.138   9.161 -14.401
  181   2HG1  ILE  24          HG13      ILE  24  -1.992  10.146 -13.513
  182   1HG2  ILE  24          HG21      ILE  24  -4.087   7.110 -13.451
  183   2HG2  ILE  24          HG22      ILE  24  -2.470   6.382 -13.616
  184   3HG2  ILE  24          HG23      ILE  24  -3.309   6.307 -12.074
  185   1HD1  ILE  24          HD11      ILE  24  -1.321   7.636 -15.091
  186   2HD1  ILE  24          HD12      ILE  24  -0.887   9.308 -15.468
  187   3HD1  ILE  24          HD13      ILE  24  -0.173   8.521 -14.051
  188    H    ALA  25           H        ALA  25  -2.214   8.412  -9.298
  189    HA   ALA  25           HA       ALA  25  -3.883   6.256  -8.517
  190   1HB   ALA  25          HB1       ALA  25  -2.739   6.442  -6.317
  191   2HB   ALA  25          HB2       ALA  25  -1.586   6.484  -7.664
  192   3HB   ALA  25          HB3       ALA  25  -2.026   7.988  -6.822
  193    H    GLU  26           H        GLU  26  -3.882   9.729  -7.667
  194    HA   GLU  26           HA       GLU  26  -6.046   9.573  -5.843
  195   1HB   GLU  26          HB2       GLU  26  -4.501  11.503  -6.078
  196   2HB   GLU  26          HB3       GLU  26  -5.231  11.899  -7.640
  197   1HG   GLU  26          HG2       GLU  26  -7.410  12.290  -6.540
  198   2HG   GLU  26          HG3       GLU  26  -6.727  11.806  -4.984
  199    H    ARG  27           H        ARG  27  -5.973  10.056  -9.388
  200    HA   ARG  27           HA       ARG  27  -8.811  10.294  -9.660
  201   1HB   ARG  27          HB2       ARG  27  -8.319  10.863 -11.747
  202   2HB   ARG  27          HB3       ARG  27  -6.643  10.702 -11.301
  203   1HG   ARG  27          HG2       ARG  27  -6.610   9.494 -13.210
  204   2HG   ARG  27          HG3       ARG  27  -6.951   8.185 -12.096
  205   1HD   ARG  27          HD2       ARG  27  -9.486   8.694 -12.669
  206   2HD   ARG  27          HD3       ARG  27  -8.829   9.640 -13.994
  207    HE   ARG  27           HE       ARG  27  -8.001   7.713 -15.031
  208   1HH1  ARG  27          HH21      ARG  27  -9.721   6.864 -12.027
  209   2HH1  ARG  27          HH22      ARG  27  -9.510   5.142 -12.250
  210   1HH2  ARG  27          HH11      ARG  27  -7.688   5.418 -15.247
  211   2HH2  ARG  27          HH12      ARG  27  -8.108   4.377 -13.921
  212    H    GLU  28           H        GLU  28  -6.720   7.513  -9.413
  213    HA   GLU  28           HA       GLU  28  -8.835   5.649 -10.194
  214   1HB   GLU  28          HB2       GLU  28  -6.357   5.501 -10.831
  215   2HB   GLU  28          HB3       GLU  28  -6.038   5.055  -9.156
  216   1HG   GLU  28          HG2       GLU  28  -6.110   3.067 -10.527
  217   2HG   GLU  28          HG3       GLU  28  -7.499   3.045  -9.467
  218    H    GLY  29           H        GLY  29  -7.704   7.043  -7.240
  219   1HA   GLY  29          HA2       GLY  29  -8.453   6.779  -5.085
  220   2HA   GLY  29          HA3       GLY  29  -9.636   5.567  -5.620
  221    H    LEU  30           H        LEU  30  -6.172   5.407  -6.406
  222    HA   LEU  30           HA       LEU  30  -5.950   2.741  -5.194
  223   1HB   LEU  30          HB2       LEU  30  -4.291   4.486  -6.995
  224   2HB   LEU  30          HB3       LEU  30  -3.398   3.374  -5.976
  225    HG   LEU  30           HG       LEU  30  -5.691   2.467  -7.758
  226   1HD1  LEU  30          HD11      LEU  30  -2.702   2.353  -8.334
  227   2HD1  LEU  30          HD12      LEU  30  -4.013   1.686  -9.341
  228   3HD1  LEU  30          HD13      LEU  30  -3.865   3.439  -9.130
  229   1HD2  LEU  30          HD21      LEU  30  -3.446   0.950  -6.335
  230   2HD2  LEU  30          HD22      LEU  30  -5.181   0.860  -5.958
  231   3HD2  LEU  30          HD23      LEU  30  -4.580   0.232  -7.490
  232    H    ASN  31           H        ASN  31  -4.056   2.285  -3.773
  233    HA   ASN  31           HA       ASN  31  -3.502   4.472  -1.818
  234   1HB   ASN  31          HB2       ASN  31  -5.183   3.038  -0.797
  235   2HB   ASN  31          HB3       ASN  31  -4.279   1.589  -1.252
  236   1HD2  ASN  31          HD22      ASN  31  -3.919   0.835   0.904
  237   2HD2  ASN  31          HD21      ASN  31  -2.898   1.690   2.029
  238    H    VAL  32           H        VAL  32  -1.433   4.903  -2.313
  239    HA   VAL  32           HA       VAL  32   0.587   2.771  -2.202
  240    HB   VAL  32           HB       VAL  32   1.731   3.692  -4.197
  241   1HG1  VAL  32          HG11      VAL  32   0.459   2.665  -5.930
  242   2HG1  VAL  32          HG12      VAL  32   0.269   1.695  -4.462
  243   3HG1  VAL  32          HG13      VAL  32  -1.049   2.764  -4.994
  244   1HG2  VAL  32          HG21      VAL  32   0.670   5.967  -4.254
  245   2HG2  VAL  32          HG22      VAL  32   0.656   5.134  -5.803
  246   3HG2  VAL  32          HG23      VAL  32  -0.833   5.219  -4.840
  247    H    ASN  33           H        ASN  33   2.785   3.840  -2.103
  248    HA   ASN  33           HA       ASN  33   2.735   6.748  -1.708
  249   1HB   ASN  33          HB2       ASN  33   3.479   5.683   0.473
  250   2HB   ASN  33          HB3       ASN  33   4.773   4.871  -0.416
  251   1HD2  ASN  33          HD22      ASN  33   6.656   6.065  -0.899
  252   2HD2  ASN  33          HD21      ASN  33   6.831   7.786  -0.544
  253    H    VAL  34           H        VAL  34   4.432   7.697  -2.973
  254    HA   VAL  34           HA       VAL  34   6.137   5.884  -4.456
  255    HB   VAL  34           HB       VAL  34   5.826   6.953  -6.598
  256   1HG1  VAL  34          HG11      VAL  34   3.019   6.184  -5.697
  257   2HG1  VAL  34          HG12      VAL  34   3.770   6.000  -7.294
  258   3HG1  VAL  34          HG13      VAL  34   4.294   4.982  -5.948
  259   1HG2  VAL  34          HG21      VAL  34   4.995   9.197  -5.861
  260   2HG2  VAL  34          HG22      VAL  34   3.985   8.461  -7.111
  261   3HG2  VAL  34          HG23      VAL  34   3.457   8.457  -5.411
  262    H    ARG  35           H        ARG  35   8.149   6.694  -4.777
  263    HA   ARG  35           HA       ARG  35   8.786   9.508  -4.336
  264   1HB   ARG  35          HB2       ARG  35  10.619   8.864  -2.716
  265   2HB   ARG  35          HB3       ARG  35   8.971   8.918  -2.120
  266   1HG   ARG  35          HG2       ARG  35   8.883   6.383  -2.306
  267   2HG   ARG  35          HG3       ARG  35  10.628   6.427  -2.654
  268   1HD   ARG  35          HD2       ARG  35  11.089   7.449  -0.512
  269   2HD   ARG  35          HD3       ARG  35   9.374   7.782  -0.221
  270    HE   ARG  35           HE       ARG  35   9.387   5.059  -0.466
  271   1HH1  ARG  35          HH21      ARG  35  11.103   7.325   1.707
  272   2HH1  ARG  35          HH22      ARG  35  11.185   6.183   2.998
  273   1HH2  ARG  35          HH11      ARG  35   9.508   3.654   1.134
  274   2HH2  ARG  35          HH12      ARG  35  10.296   3.981   2.680
  275    H    SER  36           H        SER  36  11.260   9.683  -4.743
  276    HA   SER  36           HA       SER  36  12.020   7.804  -6.888
  277   1HB   SER  36          HB2       SER  36  12.162  10.812  -7.242
  278   2HB   SER  36          HB3       SER  36  12.476   9.549  -8.424
  279    HG   SER  36           HG       SER  36  10.006  10.310  -7.257
  280    H    ALA  37           H        ALA  37  14.239   7.873  -7.508
  281    HA   ALA  37           HA       ALA  37  16.151   9.402  -5.922
  282   1HB   ALA  37          HB1       ALA  37  16.008   6.363  -5.659
  283   2HB   ALA  37          HB2       ALA  37  17.261   7.430  -4.973
  284   3HB   ALA  37          HB3       ALA  37  15.608   7.529  -4.376
  285    H    GLY  38           H        GLY  38  18.442   8.427  -6.571
  286   1HA   GLY  38          HA2       GLY  38  18.408   7.191  -9.243
  287   2HA   GLY  38          HA3       GLY  38  19.243   8.734  -9.117
  288    H    VAL  39           H        VAL  39  20.313   6.021  -9.740
  289    HA   VAL  39           HA       VAL  39  21.591   4.924  -7.442
  290    HB   VAL  39           HB       VAL  39  23.088   3.784  -9.135
  291   1HG1  VAL  39          HG11      VAL  39  20.087   3.538  -9.594
  292   2HG1  VAL  39          HG12      VAL  39  21.332   2.346 -10.016
  293   3HG1  VAL  39          HG13      VAL  39  21.035   2.738  -8.310
  294   1HG2  VAL  39          HG21      VAL  39  22.908   5.491 -10.967
  295   2HG2  VAL  39          HG22      VAL  39  22.538   3.835 -11.481
  296   3HG2  VAL  39          HG23      VAL  39  21.219   4.976 -11.231
  297    H    PHE  40           H        PHE  40  22.437   7.703  -9.413
  298    HA   PHE  40           HA       PHE  40  24.447   8.314  -7.401
  299   1HB   PHE  40          HB2       PHE  40  26.174   8.969  -9.072
  300   2HB   PHE  40          HB3       PHE  40  25.919   7.265  -8.824
  301    HD1  PHE  40           HD1      PHE  40  25.353   5.751 -10.563
  302    HD2  PHE  40           HD2      PHE  40  25.445  10.015 -11.279
  303    HE1  PHE  40           HE1      PHE  40  25.668   5.350 -12.990
  304    HE2  PHE  40           HE2      PHE  40  25.649   9.598 -13.715
  305    HZ   PHE  40           HZ       PHE  40  25.808   7.266 -14.571
  306    H    ALA  41           H        ALA  41  21.907   9.253  -7.633
  307    HA   ALA  41           HA       ALA  41  21.928  11.970  -8.751
  308   1HB   ALA  41          HB1       ALA  41  20.067  10.543  -6.797
  309   2HB   ALA  41          HB2       ALA  41  19.795  12.162  -7.472
  310   3HB   ALA  41          HB3       ALA  41  19.806  10.764  -8.549
  311    H    SER  42           H        SER  42  21.347  13.719  -7.017
  312    HA   SER  42           HA       SER  42  23.206  13.525  -4.723
  313   1HB   SER  42          HB2       SER  42  22.903  15.883  -6.608
  314   2HB   SER  42          HB3       SER  42  23.983  15.783  -5.206
  315    HG   SER  42           HG       SER  42  25.048  15.320  -7.192
  316    HA   PRO  43           HA       PRO  43  19.634  14.820  -2.428
  317   1HB   PRO  43          HB2       PRO  43  21.659  16.220  -0.679
  318   2HB   PRO  43          HB3       PRO  43  20.253  15.214  -0.195
  319   1HG   PRO  43          HG2       PRO  43  22.687  14.091  -0.230
  320   2HG   PRO  43          HG3       PRO  43  21.314  13.224  -1.014
  321   1HD   PRO  43          HD2       PRO  43  23.427  14.961  -2.335
  322   2HD   PRO  43          HD3       PRO  43  22.868  13.316  -2.763
  323    H    ASN  44           H        ASN  44  20.929  17.070  -4.402
  324    HA   ASN  44           HA       ASN  44  19.152  19.226  -3.439
  325   1HB   ASN  44          HB2       ASN  44  21.434  19.616  -2.463
  326   2HB   ASN  44          HB3       ASN  44  22.074  19.718  -4.106
  327   1HD2  ASN  44          HD22      ASN  44  22.527  21.912  -4.436
  328   2HD2  ASN  44          HD21      ASN  44  21.430  23.213  -4.058
  329    H    GLY  45           H        GLY  45  19.710  17.225  -5.920
  330   1HA   GLY  45          HA2       GLY  45  19.559  19.189  -8.145
  331   2HA   GLY  45          HA3       GLY  45  19.448  17.420  -8.262
  332    H    LYS  46           H        LYS  46  17.470  19.863  -8.927
  333    HA   LYS  46           HA       LYS  46  15.100  18.638  -7.618
  334   1HB   LYS  46          HB2       LYS  46  15.769  20.326  -6.088
  335   2HB   LYS  46          HB3       LYS  46  16.038  21.504  -7.387
  336   1HG   LYS  46          HG2       LYS  46  13.488  21.366  -7.834
  337   2HG   LYS  46          HG3       LYS  46  13.384  20.427  -6.352
  338   1HD   LYS  46          HD2       LYS  46  12.819  22.749  -5.917
  339   2HD   LYS  46          HD3       LYS  46  14.285  22.310  -5.054
  340   1HE   LYS  46          HE2       LYS  46  14.495  24.545  -5.971
  341   2HE   LYS  46          HE3       LYS  46  15.675  23.475  -6.716
  342   1HZ   LYS  46          HZ1       LYS  46  14.245  23.359  -8.677
  343   2HZ   LYS  46          HZ2       LYS  46  13.119  24.318  -7.963
  344   3HZ   LYS  46          HZ3       LYS  46  14.588  24.912  -8.329
  345    H    ALA  47           H        ALA  47  13.907  18.033  -9.221
  346    HA   ALA  47           HA       ALA  47  13.079  17.752 -11.311
  347   1HB   ALA  47          HB1       ALA  47  11.548  19.362 -10.124
  348   2HB   ALA  47          HB2       ALA  47  12.326  20.683 -11.013
  349   3HB   ALA  47          HB3       ALA  47  11.443  19.407 -11.891
  350    H    THR  48           H        THR  48  12.753  19.881 -13.401
  351    HA   THR  48           HA       THR  48  15.459  20.712 -14.027
  352    HB   THR  48           HB       THR  48  15.614  19.878 -16.200
  353    HG1  THR  48           HG1      THR  48  13.971  18.856 -17.278
  354   1HG2  THR  48          HG21      THR  48  16.024  18.029 -14.612
  355   2HG2  THR  48          HG22      THR  48  14.315  17.536 -14.762
  356   3HG2  THR  48          HG23      THR  48  15.395  17.459 -16.164
  357    HA   PRO  49           HA       PRO  49  13.266  24.391 -15.151
  358   1HB   PRO  49          HB2       PRO  49  14.641  24.295 -17.843
  359   2HB   PRO  49          HB3       PRO  49  14.464  25.680 -16.718
  360   1HG   PRO  49          HG2       PRO  49  16.800  24.318 -16.838
  361   2HG   PRO  49          HG3       PRO  49  16.120  24.783 -15.243
  362   1HD   PRO  49          HD2       PRO  49  15.977  22.105 -16.640
  363   2HD   PRO  49          HD3       PRO  49  16.332  22.472 -14.923
  364    H    HIS  50           H        HIS  50  12.979  21.587 -17.254
  365    HA   HIS  50           HA       HIS  50  10.583  22.770 -18.547
  366   1HB   HIS  50          HB2       HIS  50  12.656  20.862 -19.598
  367   2HB   HIS  50          HB3       HIS  50  11.119  21.175 -20.416
  368    HD1  HIS  50           HD1      HIS  50  14.025  21.820 -21.739
  369    HD2  HIS  50           HD2      HIS  50  11.363  24.500 -19.848
  370    HE1  HIS  50           HE1      HIS  50  14.578  24.133 -22.620
  371    H    ALA  51           H        ALA  51  11.863  19.810 -16.956
  372    HA   ALA  51           HA       ALA  51   9.506  18.271 -17.257
  373   1HB   ALA  51          HB1       ALA  51  10.256  17.171 -15.121
  374   2HB   ALA  51          HB2       ALA  51  11.559  17.298 -16.311
  375   3HB   ALA  51          HB3       ALA  51  11.499  18.419 -14.939
  376    H    VAL  52           H        VAL  52  10.456  20.660 -14.791
  377    HA   VAL  52           HA       VAL  52   8.120  20.400 -13.254
  378    HB   VAL  52           HB       VAL  52  10.501  21.436 -12.851
  379   1HG1  VAL  52          HG11      VAL  52  10.665  23.813 -12.745
  380   2HG1  VAL  52          HG12      VAL  52  10.367  23.306 -14.413
  381   3HG1  VAL  52          HG13      VAL  52   9.038  24.003 -13.434
  382   1HG2  VAL  52          HG21      VAL  52   8.959  21.059 -11.099
  383   2HG2  VAL  52          HG22      VAL  52   9.693  22.647 -10.872
  384   3HG2  VAL  52          HG23      VAL  52   8.031  22.524 -11.506
  385    H    GLU  53           H        GLU  53   8.931  22.482 -15.984
  386    HA   GLU  53           HA       GLU  53   6.547  24.022 -15.832
  387   1HB   GLU  53          HB2       GLU  53   8.621  24.807 -16.884
  388   2HB   GLU  53          HB3       GLU  53   8.468  23.589 -18.155
  389   1HG   GLU  53          HG2       GLU  53   6.467  24.650 -19.027
  390   2HG   GLU  53          HG3       GLU  53   6.356  25.713 -17.620
  391    H    ALA  54           H        ALA  54   7.449  21.053 -17.554
  392    HA   ALA  54           HA       ALA  54   5.127  20.840 -19.151
  393   1HB   ALA  54          HB1       ALA  54   7.278  19.625 -19.537
  394   2HB   ALA  54          HB2       ALA  54   6.952  18.625 -18.102
  395   3HB   ALA  54          HB3       ALA  54   5.894  18.552 -19.522
  396    H    LEU  55           H        LEU  55   5.845  19.658 -15.861
  397    HA   LEU  55           HA       LEU  55   3.154  18.487 -15.645
  398   1HB   LEU  55          HB2       LEU  55   5.464  18.823 -13.764
  399   2HB   LEU  55          HB3       LEU  55   3.863  18.435 -13.122
  400    HG   LEU  55           HG       LEU  55   5.360  16.470 -13.406
  401   1HD1  LEU  55          HD11      LEU  55   2.825  16.276 -15.067
  402   2HD1  LEU  55          HD12      LEU  55   3.709  14.956 -14.280
  403   3HD1  LEU  55          HD13      LEU  55   2.935  16.177 -13.282
  404   1HD2  LEU  55          HD21      LEU  55   5.720  15.440 -15.579
  405   2HD2  LEU  55          HD22      LEU  55   4.936  16.796 -16.402
  406   3HD2  LEU  55          HD23      LEU  55   6.470  17.041 -15.537
  407    H    PHE  56           H        PHE  56   4.583  21.664 -15.004
  408    HA   PHE  56           HA       PHE  56   2.279  22.578 -13.519
  409   1HB   PHE  56          HB2       PHE  56   4.451  23.789 -13.534
  410   2HB   PHE  56          HB3       PHE  56   4.199  24.201 -15.231
  411    HD1  PHE  56           HD1      PHE  56   2.472  24.401 -11.893
  412    HD2  PHE  56           HD2      PHE  56   3.092  26.252 -15.741
  413    HE1  PHE  56           HE1      PHE  56   1.014  26.277 -11.218
  414    HE2  PHE  56           HE2      PHE  56   1.666  28.160 -15.043
  415    HZ   PHE  56           HZ       PHE  56   0.618  28.181 -12.785
  416    H    GLU  57           H        GLU  57   3.100  22.464 -17.028
  417    HA   GLU  57           HA       GLU  57   0.645  23.563 -17.945
  418   1HB   GLU  57          HB2       GLU  57   2.766  23.213 -19.271
  419   2HB   GLU  57          HB3       GLU  57   2.427  21.487 -19.292
  420   1HG   GLU  57          HG2       GLU  57   1.731  22.386 -21.383
  421   2HG   GLU  57          HG3       GLU  57   0.276  21.956 -20.502
  422    H    LYS  58           H        LYS  58   1.582  20.177 -17.117
  423    HA   LYS  58           HA       LYS  58  -0.994  19.027 -17.645
  424   1HB   LYS  58          HB2       LYS  58   1.272  17.843 -17.215
  425   2HB   LYS  58          HB3       LYS  58   0.969  18.133 -15.505
  426   1HG   LYS  58          HG2       LYS  58   0.368  15.882 -16.046
  427   2HG   LYS  58          HG3       LYS  58  -1.080  16.764 -15.608
  428   1HD   LYS  58          HD2       LYS  58  -1.591  15.304 -17.411
  429   2HD   LYS  58          HD3       LYS  58  -1.647  16.946 -18.060
  430   1HE   LYS  58          HE2       LYS  58   0.614  16.658 -19.020
  431   2HE   LYS  58          HE3       LYS  58   0.767  15.076 -18.242
  432   1HZ   LYS  58          HZ1       LYS  58  -1.050  14.265 -19.585
  433   2HZ   LYS  58          HZ2       LYS  58  -1.273  15.722 -20.308
  434   3HZ   LYS  58          HZ3       LYS  58   0.094  14.866 -20.587
  435    H    HIS  59           H        HIS  59  -0.053  21.258 -15.251
  436    HA   HIS  59           HA       HIS  59  -1.006  22.238 -13.536
  437   1HB   HIS  59          HB2       HIS  59  -2.987  22.321 -15.074
  438   2HB   HIS  59          HB3       HIS  59  -3.655  20.939 -14.204
  439    HD1  HIS  59           HD1      HIS  59  -5.208  21.695 -12.225
  440    HD2  HIS  59           HD2      HIS  59  -2.222  24.477 -13.260
  441    HE1  HIS  59           HE1      HIS  59  -5.583  23.729 -10.740
  442    H    ILE  60           H        ILE  60   0.566  20.314 -12.942
  443    HA   ILE  60           HA       ILE  60  -0.624  19.018 -10.530
  444    HB   ILE  60           HB       ILE  60   1.501  17.947 -12.406
  445   1HG1  ILE  60          HG12      ILE  60  -1.253  16.830 -11.665
  446   2HG1  ILE  60          HG13      ILE  60  -0.905  17.704 -13.153
  447   1HG2  ILE  60          HG21      ILE  60   0.457  16.811  -9.764
  448   2HG2  ILE  60          HG22      ILE  60   1.494  15.928 -10.887
  449   3HG2  ILE  60          HG23      ILE  60   2.115  17.362 -10.093
  450   1HD1  ILE  60          HD11      ILE  60   0.716  15.997 -13.828
  451   2HD1  ILE  60          HD12      ILE  60   0.314  15.016 -12.414
  452   3HD1  ILE  60          HD13      ILE  60  -0.925  15.349 -13.624
  453    H    ALA  61           H        ALA  61   1.953  20.990 -11.900
  454    HA   ALA  61           HA       ALA  61   3.633  22.182 -11.002
  455   1HB   ALA  61          HB1       ALA  61   1.904  22.271  -8.506
  456   2HB   ALA  61          HB2       ALA  61   3.214  23.384  -8.941
  457   3HB   ALA  61          HB3       ALA  61   1.734  23.327  -9.921
  458    H    LEU  62           H        LEU  62   4.820  20.168 -11.278
  459    HA   LEU  62           HA       LEU  62   5.603  18.339  -9.273
  460   1HB   LEU  62          HB2       LEU  62   6.026  18.295 -11.747
  461   2HB   LEU  62          HB3       LEU  62   7.219  19.566 -11.560
  462    HG   LEU  62           HG       LEU  62   7.363  16.684 -10.564
  463   1HD1  LEU  62          HD11      LEU  62   9.111  16.448 -12.259
  464   2HD1  LEU  62          HD12      LEU  62   7.644  17.064 -13.020
  465   3HD1  LEU  62          HD13      LEU  62   8.989  18.172 -12.676
  466   1HD2  LEU  62          HD21      LEU  62   8.734  17.667  -8.962
  467   2HD2  LEU  62          HD22      LEU  62   9.894  17.363 -10.238
  468   3HD2  LEU  62          HD23      LEU  62   9.246  18.994 -10.044
  469    H    ASN  63           H        ASN  63   6.998  18.559  -7.518
  470    HA   ASN  63           HA       ASN  63   9.163  20.438  -7.623
  471   1HB   ASN  63          HB2       ASN  63   6.827  21.413  -6.279
  472   2HB   ASN  63          HB3       ASN  63   7.951  20.935  -5.011
  473   1HD2  ASN  63          HD22      ASN  63   8.051  22.548  -8.242
  474   2HD2  ASN  63          HD21      ASN  63   9.140  23.839  -7.762
  475    H    HIS  64           H        HIS  64  10.794  19.121  -7.044
  476    HA   HIS  64           HA       HIS  64  10.522  17.149  -4.870
  477   1HB   HIS  64          HB2       HIS  64   9.523  16.032  -6.850
  478   2HB   HIS  64          HB3       HIS  64  10.927  16.465  -7.827
  479    HD1  HIS  64           HD1      HIS  64   9.680  13.620  -5.767
  480    HD2  HIS  64           HD2      HIS  64  13.346  15.259  -7.068
  481    HE1  HIS  64           HE1      HIS  64  11.442  11.868  -5.351
  482    H    VAL  65           H        VAL  65  12.480  17.210  -3.837
  483    HA   VAL  65           HA       VAL  65  14.946  17.970  -5.350
  484    HB   VAL  65           HB       VAL  65  14.552  17.725  -2.338
  485   1HG1  VAL  65          HG11      VAL  65  16.878  17.380  -3.092
  486   2HG1  VAL  65          HG12      VAL  65  16.810  18.878  -4.046
  487   3HG1  VAL  65          HG13      VAL  65  16.728  18.933  -2.270
  488   1HG2  VAL  65          HG21      VAL  65  13.240  19.661  -3.148
  489   2HG2  VAL  65          HG22      VAL  65  14.681  20.191  -2.273
  490   3HG2  VAL  65          HG23      VAL  65  14.661  20.245  -4.044
  491    H    SER  66           H        SER  66  16.395  16.399  -5.680
  492    HA   SER  66           HA       SER  66  15.632  13.634  -5.569
  493   1HB   SER  66          HB2       SER  66  18.287  14.937  -6.320
  494   2HB   SER  66          HB3       SER  66  17.712  13.334  -6.808
  495    HG   SER  66           HG       SER  66  16.801  15.898  -7.582
  496    H    SER  67           H        SER  67  17.346  11.969  -4.927
  497    HA   SER  67           HA       SER  67  19.322  12.584  -2.947
  498   1HB   SER  67          HB2       SER  67  16.820  10.991  -2.184
  499   2HB   SER  67          HB3       SER  67  18.343  10.893  -1.285
  500    HG   SER  67           HG       SER  67  17.290  13.427  -1.825
  501    HA   PRO  68           HA       PRO  68  20.737   8.921  -5.091
  502   1HB   PRO  68          HB2       PRO  68  22.472   7.738  -3.329
  503   2HB   PRO  68          HB3       PRO  68  22.841   9.258  -4.199
  504   1HG   PRO  68          HG2       PRO  68  21.755   8.938  -1.386
  505   2HG   PRO  68          HG3       PRO  68  23.113   9.974  -1.939
  506   1HD   PRO  68          HD2       PRO  68  20.604  10.962  -1.568
  507   2HD   PRO  68          HD3       PRO  68  21.638  11.537  -2.913
  508    H    LEU  69           H        LEU  69  20.290   6.673  -5.212
  509    HA   LEU  69           HA       LEU  69  18.272   5.621  -3.335
  510   1HB   LEU  69          HB2       LEU  69  18.007   5.206  -5.751
  511   2HB   LEU  69          HB3       LEU  69  19.583   4.433  -5.822
  512    HG   LEU  69           HG       LEU  69  18.852   2.556  -4.566
  513   1HD1  LEU  69          HD11      LEU  69  17.438   3.475  -2.806
  514   2HD1  LEU  69          HD12      LEU  69  16.261   4.056  -4.007
  515   3HD1  LEU  69          HD13      LEU  69  16.481   2.319  -3.719
  516   1HD2  LEU  69          HD21      LEU  69  18.184   2.639  -6.935
  517   2HD2  LEU  69          HD22      LEU  69  17.092   1.641  -5.963
  518   3HD2  LEU  69          HD23      LEU  69  16.590   3.272  -6.457
  519    H    THR  70           H        THR  70  18.960   4.801  -1.446
  520    HA   THR  70           HA       THR  70  21.458   3.247  -1.341
  521    HB   THR  70           HB       THR  70  21.607   4.262   1.039
  522    HG1  THR  70           HG1      THR  70  20.680   6.277   1.260
  523   1HG2  THR  70          HG21      THR  70  22.950   6.133   0.196
  524   2HG2  THR  70          HG22      THR  70  23.192   4.695  -0.813
  525   3HG2  THR  70          HG23      THR  70  22.158   6.020  -1.394
  526    H    GLU  71           H        GLU  71  21.469   1.879   0.744
  527    HA   GLU  71           HA       GLU  71  19.502   0.052   0.009
  528   1HB   GLU  71          HB2       GLU  71  21.858  -0.370   0.871
  529   2HB   GLU  71          HB3       GLU  71  21.214  -0.166   2.512
  530   1HG   GLU  71          HG2       GLU  71  19.573  -2.002   2.044
  531   2HG   GLU  71          HG3       GLU  71  20.264  -2.186   0.429
  532    H    GLU  72           H        GLU  72  19.589   2.228   2.793
  533    HA   GLU  72           HA       GLU  72  17.476   0.967   4.215
  534   1HB   GLU  72          HB2       GLU  72  17.347   3.084   5.491
  535   2HB   GLU  72          HB3       GLU  72  18.987   2.448   5.359
  536   1HG   GLU  72          HG2       GLU  72  19.467   4.095   3.540
  537   2HG   GLU  72          HG3       GLU  72  17.842   4.757   3.728
  538    H    LEU  73           H        LEU  73  17.470   3.449   1.671
  539    HA   LEU  73           HA       LEU  73  14.640   3.931   1.824
  540   1HB   LEU  73          HB2       LEU  73  16.083   5.577   0.743
  541   2HB   LEU  73          HB3       LEU  73  16.659   4.359  -0.407
  542    HG   LEU  73           HG       LEU  73  14.464   4.181  -1.413
  543   1HD1  LEU  73          HD11      LEU  73  12.644   5.744  -0.956
  544   2HD1  LEU  73          HD12      LEU  73  12.960   4.718   0.440
  545   3HD1  LEU  73          HD13      LEU  73  13.540   6.401   0.439
  546   1HD2  LEU  73          HD21      LEU  73  14.372   6.331  -2.543
  547   2HD2  LEU  73          HD22      LEU  73  15.348   7.081  -1.255
  548   3HD2  LEU  73          HD23      LEU  73  16.058   5.838  -2.302
  549    H    MET  74           H        MET  74  16.750   1.801  -0.074
  550    HA   MET  74           HA       MET  74  14.793   0.625  -1.714
  551   1HB   MET  74          HB2       MET  74  16.885   0.144  -2.460
  552   2HB   MET  74          HB3       MET  74  17.560   0.005  -0.853
  553   1HG   MET  74          HG2       MET  74  17.759  -2.100  -1.907
  554   2HG   MET  74          HG3       MET  74  16.623  -2.232  -0.582
  555   1HE   MET  74          HE1       MET  74  16.606  -1.340  -4.475
  556   2HE   MET  74          HE2       MET  74  17.323  -2.960  -4.280
  557   3HE   MET  74          HE3       MET  74  15.754  -2.776  -5.086
  558    H    GLU  75           H        GLU  75  15.882  -0.310   1.554
  559    HA   GLU  75           HA       GLU  75  14.023  -2.550   1.638
  560   1HB   GLU  75          HB2       GLU  75  15.929  -1.334   3.654
  561   2HB   GLU  75          HB3       GLU  75  14.854  -2.673   4.059
  562   1HG   GLU  75          HG2       GLU  75  16.874  -2.776   1.772
  563   2HG   GLU  75          HG3       GLU  75  17.180  -3.365   3.398
  564    H    SER  76           H        SER  76  13.832   0.827   2.598
  565    HA   SER  76           HA       SER  76  11.463   0.519   4.207
  566   1HB   SER  76          HB2       SER  76  13.010   2.506   4.156
  567   2HB   SER  76          HB3       SER  76  12.389   2.899   2.545
  568    HG   SER  76           HG       SER  76  11.031   2.881   5.044
  569    H    ALA  77           H        ALA  77  12.088   0.878   0.676
  570    HA   ALA  77           HA       ALA  77   9.249   1.047   0.062
  571   1HB   ALA  77          HB1       ALA  77  10.977   2.298  -1.197
  572   2HB   ALA  77          HB2       ALA  77  11.621   0.744  -1.817
  573   3HB   ALA  77          HB3       ALA  77   9.975   1.283  -2.235
  574    H    ASP  78           H        ASP  78   8.469  -0.301  -1.846
  575    HA   ASP  78           HA       ASP  78   8.842  -3.184  -1.231
  576   1HB   ASP  78          HB2       ASP  78   6.881  -2.121  -0.097
  577   2HB   ASP  78          HB3       ASP  78   6.249  -1.682  -1.686
  578    H    LEU  79           H        LEU  79   8.595  -0.724  -3.678
  579    HA   LEU  79           HA       LEU  79   9.111  -2.772  -5.724
  580   1HB   LEU  79          HB2       LEU  79   6.674  -2.115  -5.911
  581   2HB   LEU  79          HB3       LEU  79   7.166  -0.438  -6.016
  582    HG   LEU  79           HG       LEU  79   8.337  -0.875  -8.161
  583   1HD1  LEU  79          HD11      LEU  79   7.967  -3.027  -9.334
  584   2HD1  LEU  79          HD12      LEU  79   8.952  -3.252  -7.891
  585   3HD1  LEU  79          HD13      LEU  79   7.232  -3.705  -7.863
  586   1HD2  LEU  79          HD21      LEU  79   5.939  -0.213  -8.172
  587   2HD2  LEU  79          HD22      LEU  79   6.377  -1.228  -9.553
  588   3HD2  LEU  79          HD23      LEU  79   5.491  -1.921  -8.192
  589    H    VAL  80           H        VAL  80  10.628  -2.033  -7.232
  590    HA   VAL  80           HA       VAL  80  11.427   0.817  -7.133
  591    HB   VAL  80           HB       VAL  80  13.256  -1.606  -7.328
  592   1HG1  VAL  80          HG11      VAL  80  15.096   0.013  -7.179
  593   2HG1  VAL  80          HG12      VAL  80  14.098   0.356  -8.597
  594   3HG1  VAL  80          HG13      VAL  80  13.936   1.362  -7.141
  595   1HG2  VAL  80          HG21      VAL  80  12.578  -1.489  -5.047
  596   2HG2  VAL  80          HG22      VAL  80  14.176  -0.745  -5.123
  597   3HG2  VAL  80          HG23      VAL  80  12.726   0.275  -5.026
  598    H    LEU  81           H        LEU  81  11.480   1.710  -9.142
  599    HA   LEU  81           HA       LEU  81  10.818  -0.038 -11.427
  600   1HB   LEU  81          HB2       LEU  81   9.027   1.550  -9.960
  601   2HB   LEU  81          HB3       LEU  81   9.352   2.500 -11.398
  602    HG   LEU  81           HG       LEU  81   8.574  -0.474 -11.517
  603   1HD1  LEU  81          HD11      LEU  81   6.318   0.136 -11.853
  604   2HD1  LEU  81          HD12      LEU  81   6.807   0.994 -10.401
  605   3HD1  LEU  81          HD13      LEU  81   6.691   1.878 -11.934
  606   1HD2  LEU  81          HD21      LEU  81   9.679   0.289 -13.497
  607   2HD2  LEU  81          HD22      LEU  81   7.948   0.123 -13.826
  608   3HD2  LEU  81          HD23      LEU  81   8.649   1.738 -13.558
  609    H    ALA  82           H        ALA  82  12.629   0.107 -12.542
  610    HA   ALA  82           HA       ALA  82  14.269   2.533 -12.433
  611   1HB   ALA  82          HB1       ALA  82  15.245   0.331 -11.783
  612   2HB   ALA  82          HB2       ALA  82  14.867  -0.303 -13.403
  613   3HB   ALA  82          HB3       ALA  82  16.048   1.004 -13.209
  614    H    MET  83           H        MET  83  14.745   3.736 -14.178
  615    HA   MET  83           HA       MET  83  13.058   3.491 -16.453
  616   1HB   MET  83          HB2       MET  83  15.500   5.274 -16.111
  617   2HB   MET  83          HB3       MET  83  14.295   5.415 -17.378
  618   1HG   MET  83          HG2       MET  83  13.912   5.861 -14.412
  619   2HG   MET  83          HG3       MET  83  13.742   7.029 -15.721
  620   1HE   MET  83          HE1       MET  83  11.665   7.277 -13.695
  621   2HE   MET  83          HE2       MET  83  10.245   6.199 -13.742
  622   3HE   MET  83          HE3       MET  83  11.787   5.607 -13.086
  623    H    THR  84           H        THR  84  16.173   1.933 -15.980
  624    HA   THR  84           HA       THR  84  15.912   0.919 -18.706
  625    HB   THR  84           HB       THR  84  18.238   1.211 -19.277
  626    HG1  THR  84           HG1      THR  84  18.712   2.948 -17.151
  627   1HG2  THR  84          HG21      THR  84  18.451   3.581 -19.681
  628   2HG2  THR  84          HG22      THR  84  16.775   3.084 -19.964
  629   3HG2  THR  84          HG23      THR  84  17.206   3.958 -18.475
  630    H    HIS  85           H        HIS  85  17.161  -1.069 -19.009
  631    HA   HIS  85           HA       HIS  85  17.176  -2.763 -16.721
  632   1HB   HIS  85          HB2       HIS  85  18.122  -4.439 -18.143
  633   2HB   HIS  85          HB3       HIS  85  16.880  -3.581 -19.050
  634    HD1  HIS  85           HD1      HIS  85  20.724  -3.985 -18.911
  635    HD2  HIS  85           HD2      HIS  85  17.655  -2.334 -21.297
  636    HE1  HIS  85           HE1      HIS  85  21.809  -3.284 -21.106
  637    H    GLN  86           H        GLN  86  19.635  -0.778 -18.322
  638    HA   GLN  86           HA       GLN  86  21.886  -1.738 -16.924
  639   1HB   GLN  86          HB2       GLN  86  21.951  -0.248 -18.933
  640   2HB   GLN  86          HB3       GLN  86  21.363   1.095 -17.942
  641   1HG   GLN  86          HG2       GLN  86  23.406   0.922 -16.521
  642   2HG   GLN  86          HG3       GLN  86  23.972  -0.432 -17.503
  643   1HE2  GLN  86          HE22      GLN  86  24.838   0.007 -19.631
  644   2HE2  GLN  86          HE21      GLN  86  25.164   1.634 -20.172
  645    H    HIS  87           H        HIS  87  19.577   0.877 -16.076
  646    HA   HIS  87           HA       HIS  87  20.806   1.514 -13.582
  647   1HB   HIS  87          HB2       HIS  87  17.868   1.658 -14.301
  648   2HB   HIS  87          HB3       HIS  87  18.628   2.444 -12.924
  649    HD1  HIS  87           HD1      HIS  87  21.097   3.352 -15.322
  650    HD2  HIS  87           HD2      HIS  87  17.011   4.163 -14.837
  651    HE1  HIS  87           HE1      HIS  87  20.647   5.521 -16.577
  652    H    LYS  88           H        LYS  88  18.285  -0.875 -14.445
  653    HA   LYS  88           HA       LYS  88  17.834  -1.801 -11.808
  654   1HB   LYS  88          HB2       LYS  88  16.309  -2.370 -13.593
  655   2HB   LYS  88          HB3       LYS  88  17.564  -3.257 -14.463
  656   1HG   LYS  88          HG2       LYS  88  17.650  -4.985 -12.786
  657   2HG   LYS  88          HG3       LYS  88  16.638  -4.060 -11.685
  658   1HD   LYS  88          HD2       LYS  88  15.340  -5.842 -12.681
  659   2HD   LYS  88          HD3       LYS  88  14.714  -4.296 -13.272
  660   1HE   LYS  88          HE2       LYS  88  15.776  -4.574 -15.420
  661   2HE   LYS  88          HE3       LYS  88  16.759  -5.928 -14.836
  662   1HZ   LYS  88          HZ1       LYS  88  14.925  -6.697 -16.165
  663   2HZ   LYS  88          HZ2       LYS  88  14.697  -7.223 -14.631
  664   3HZ   LYS  88          HZ3       LYS  88  13.818  -5.971 -15.242
  665    H    GLN  89           H        GLN  89  20.288  -2.817 -14.167
  666    HA   GLN  89           HA       GLN  89  21.385  -4.862 -12.480
  667   1HB   GLN  89          HB2       GLN  89  22.494  -3.336 -14.884
  668   2HB   GLN  89          HB3       GLN  89  23.365  -4.654 -14.100
  669   1HG   GLN  89          HG2       GLN  89  21.690  -6.268 -14.702
  670   2HG   GLN  89          HG3       GLN  89  20.559  -5.031 -15.231
  671   1HE2  GLN  89          HE22      GLN  89  23.686  -6.605 -16.047
  672   2HE2  GLN  89          HE21      GLN  89  23.654  -6.158 -17.733
  673    H    ILE  90           H        ILE  90  22.129  -1.390 -12.831
  674    HA   ILE  90           HA       ILE  90  24.420  -1.510 -11.137
  675    HB   ILE  90           HB       ILE  90  22.520   0.791 -11.731
  676   1HG1  ILE  90          HG12      ILE  90  25.405   0.427 -12.662
  677   2HG1  ILE  90          HG13      ILE  90  24.063  -0.213 -13.586
  678   1HG2  ILE  90          HG21      ILE  90  25.185   0.842 -10.232
  679   2HG2  ILE  90          HG22      ILE  90  24.308   2.282 -10.773
  680   3HG2  ILE  90          HG23      ILE  90  23.595   1.238  -9.554
  681   1HD1  ILE  90          HD11      ILE  90  24.522   2.729 -12.941
  682   2HD1  ILE  90          HD12      ILE  90  24.669   1.928 -14.511
  683   3HD1  ILE  90          HD13      ILE  90  23.075   2.084 -13.746
  684    H    ILE  91           H        ILE  91  20.963  -0.942 -10.423
  685    HA   ILE  91           HA       ILE  91  21.183  -0.644  -7.622
  686    HB   ILE  91           HB       ILE  91  18.960  -1.830  -9.314
  687   1HG1  ILE  91          HG12      ILE  91  19.152   0.910  -7.995
  688   2HG1  ILE  91          HG13      ILE  91  19.722   0.629  -9.621
  689   1HG2  ILE  91          HG21      ILE  91  17.448  -1.407  -7.400
  690   2HG2  ILE  91          HG22      ILE  91  18.670  -2.598  -6.973
  691   3HG2  ILE  91          HG23      ILE  91  18.834  -0.917  -6.410
  692   1HD1  ILE  91          HD11      ILE  91  17.447  -0.164 -10.293
  693   2HD1  ILE  91          HD12      ILE  91  16.857   0.336  -8.693
  694   3HD1  ILE  91          HD13      ILE  91  17.547   1.533  -9.807
  695    H    ALA  92           H        ALA  92  20.751  -3.551  -9.584
  696    HA   ALA  92           HA       ALA  92  20.854  -5.405  -7.431
  697   1HB   ALA  92          HB1       ALA  92  19.643  -5.780  -9.589
  698   2HB   ALA  92          HB2       ALA  92  21.209  -5.850 -10.433
  699   3HB   ALA  92          HB3       ALA  92  20.794  -7.091  -9.244
  700    H    SER  93           H        SER  93  23.395  -3.643  -8.638
  701    HA   SER  93           HA       SER  93  25.316  -5.740  -7.767
  702   1HB   SER  93          HB2       SER  93  25.831  -3.351  -9.581
  703   2HB   SER  93          HB3       SER  93  26.963  -4.664  -9.196
  704    HG   SER  93           HG       SER  93  24.581  -4.710 -10.725
  705    H    GLN  94           H        GLN  94  24.172  -2.423  -7.212
  706    HA   GLN  94           HA       GLN  94  26.429  -1.836  -5.443
  707   1HB   GLN  94          HB2       GLN  94  25.372   0.233  -4.913
  708   2HB   GLN  94          HB3       GLN  94  25.402   0.007  -6.660
  709   1HG   GLN  94          HG2       GLN  94  23.030  -0.469  -6.691
  710   2HG   GLN  94          HG3       GLN  94  22.943  -0.518  -4.937
  711   1HE2  GLN  94          HE21      GLN  94  21.755   1.190  -4.283
  712   2HE2  GLN  94          HE22      GLN  94  22.023   2.852  -4.745
  713    H    PHE  95           H        PHE  95  23.044  -2.991  -5.118
  714    HA   PHE  95           HA       PHE  95  23.406  -3.166  -2.172
  715   1HB   PHE  95          HB2       PHE  95  21.070  -3.822  -3.990
  716   2HB   PHE  95          HB3       PHE  95  21.039  -3.842  -2.229
  717    HD1  PHE  95           HD1      PHE  95  19.401  -2.213  -4.402
  718    HD2  PHE  95           HD2      PHE  95  22.609  -1.210  -1.692
  719    HE1  PHE  95           HE1      PHE  95  18.560   0.120  -4.235
  720    HE2  PHE  95           HE2      PHE  95  21.836   1.086  -1.611
  721    HZ   PHE  95           HZ       PHE  95  19.742   1.757  -2.785
  722    H    GLY  96           H        GLY  96  24.165  -5.083  -4.805
  723   1HA   GLY  96          HA2       GLY  96  24.652  -7.406  -4.934
  724   2HA   GLY  96          HA3       GLY  96  23.813  -7.678  -3.395
  725    H    ARG  97           H        ARG  97  22.885  -9.304  -5.096
  726    HA   ARG  97           HA       ARG  97  21.204  -8.310  -7.155
  727   1HB   ARG  97          HB2       ARG  97  22.618 -10.531  -6.977
  728   2HB   ARG  97          HB3       ARG  97  21.195 -11.187  -6.192
  729   1HG   ARG  97          HG2       ARG  97  20.453 -11.675  -8.269
  730   2HG   ARG  97          HG3       ARG  97  20.098  -9.967  -8.470
  731   1HD   ARG  97          HD2       ARG  97  22.600 -11.467  -9.330
  732   2HD   ARG  97          HD3       ARG  97  21.353 -10.761 -10.370
  733    HE   ARG  97           HE       ARG  97  22.632  -8.760  -8.696
  734   1HH1  ARG  97          HH21      ARG  97  23.182 -10.690 -11.636
  735   2HH1  ARG  97          HH22      ARG  97  24.300  -9.568 -12.315
  736   1HH2  ARG  97          HH11      ARG  97  24.075  -7.300  -9.579
  737   2HH2  ARG  97          HH12      ARG  97  24.827  -7.563 -11.109
  738    H    TYR  98           H        TYR  98  20.143  -7.137  -4.950
  739    HA   TYR  98           HA       TYR  98  17.630  -8.329  -4.105
  740   1HB   TYR  98          HB2       TYR  98  18.537  -5.430  -4.274
  741   2HB   TYR  98          HB3       TYR  98  17.056  -5.971  -3.505
  742    HD1  TYR  98           HD1      TYR  98  19.419  -8.449  -2.520
  743    HD2  TYR  98           HD2      TYR  98  18.277  -4.335  -1.868
  744    HE1  TYR  98           HE1      TYR  98  20.564  -8.477  -0.345
  745    HE2  TYR  98           HE2      TYR  98  19.400  -4.369   0.328
  746    HH   TYR  98           HH       TYR  98  20.792  -5.555   1.757
  747    H    ARG  99           H        ARG  99  18.318  -8.230  -7.107
  748    HA   ARG  99           HA       ARG  99  16.869  -6.327  -8.537
  749   1HB   ARG  99          HB2       ARG  99  18.676  -8.013  -9.274
  750   2HB   ARG  99          HB3       ARG  99  17.397  -9.215  -9.380
  751   1HG   ARG  99          HG2       ARG  99  16.264  -7.883 -11.131
  752   2HG   ARG  99          HG3       ARG  99  17.423  -6.566 -10.895
  753   1HD   ARG  99          HD2       ARG  99  18.038  -7.814 -12.881
  754   2HD   ARG  99          HD3       ARG  99  19.270  -8.045 -11.629
  755    HE   ARG  99           HE       ARG  99  17.216 -10.106 -11.617
  756   1HH1  ARG  99          HH21      ARG  99  20.216  -9.143 -13.256
  757   2HH1  ARG  99          HH22      ARG  99  20.630 -10.744 -13.739
  758   1HH2  ARG  99          HH11      ARG  99  17.793 -12.245 -12.220
  759   2HH2  ARG  99          HH12      ARG  99  19.227 -12.545 -13.121
  760    H    ASP 100           H        ASP 100  15.651  -9.220  -6.907
  761    HA   ASP 100           HA       ASP 100  13.268  -9.678  -8.307
  762   1HB   ASP 100          HB2       ASP 100  14.085 -11.126  -6.520
  763   2HB   ASP 100          HB3       ASP 100  13.840  -9.846  -5.327
  764    H    LYS 101           H        LYS 101  13.999  -7.041  -5.968
  765    HA   LYS 101           HA       LYS 101  11.209  -6.221  -5.846
  766   1HB   LYS 101          HB2       LYS 101  13.238  -5.944  -4.106
  767   2HB   LYS 101          HB3       LYS 101  13.472  -4.419  -4.980
  768   1HG   LYS 101          HG2       LYS 101  10.996  -3.940  -4.587
  769   2HG   LYS 101          HG3       LYS 101  10.926  -5.418  -3.625
  770   1HD   LYS 101          HD2       LYS 101  12.542  -2.908  -3.021
  771   2HD   LYS 101          HD3       LYS 101  11.081  -3.464  -2.198
  772   1HE   LYS 101          HE2       LYS 101  12.374  -5.578  -1.549
  773   2HE   LYS 101          HE3       LYS 101  13.826  -4.789  -2.188
  774   1HZ   LYS 101          HZ1       LYS 101  13.737  -4.347   0.126
  775   2HZ   LYS 101          HZ2       LYS 101  13.325  -2.939  -0.617
  776   3HZ   LYS 101          HZ3       LYS 101  12.155  -3.852   0.065
  777    H    VAL 102           H        VAL 102  13.495  -5.893  -8.316
  778    HA   VAL 102           HA       VAL 102  12.695  -3.126  -8.945
  779    HB   VAL 102           HB       VAL 102  15.101  -4.586 -10.057
  780   1HG1  VAL 102          HG11      VAL 102  14.433  -2.577 -11.298
  781   2HG1  VAL 102          HG12      VAL 102  14.342  -1.637  -9.799
  782   3HG1  VAL 102          HG13      VAL 102  15.906  -2.214 -10.392
  783   1HG2  VAL 102          HG21      VAL 102  15.458  -4.527  -7.603
  784   2HG2  VAL 102          HG22      VAL 102  16.562  -3.478  -8.492
  785   3HG2  VAL 102          HG23      VAL 102  15.186  -2.770  -7.619
  786    H    PHE 103           H        PHE 103  11.781  -2.701 -10.938
  787    HA   PHE 103           HA       PHE 103  11.894  -4.753 -13.054
  788   1HB   PHE 103          HB2       PHE 103   9.374  -3.338 -12.097
  789   2HB   PHE 103          HB3       PHE 103   9.516  -4.153 -13.647
  790    HD1  PHE 103           HD1      PHE 103   9.368  -6.555 -13.850
  791    HD2  PHE 103           HD2      PHE 103   9.483  -4.699  -9.959
  792    HE1  PHE 103           HE1      PHE 103   8.677  -8.696 -12.805
  793    HE2  PHE 103           HE2      PHE 103   8.794  -6.844  -8.915
  794    HZ   PHE 103           HZ       PHE 103   8.387  -8.846 -10.338
  795    H    THR 104           H        THR 104  11.794  -3.777 -15.134
  796    HA   THR 104           HA       THR 104  12.751  -1.030 -15.134
  797    HB   THR 104           HB       THR 104  12.196  -2.535 -17.682
  798    HG1  THR 104           HG1      THR 104  13.158  -4.125 -16.377
  799   1HG2  THR 104          HG21      THR 104  14.395  -1.547 -18.283
  800   2HG2  THR 104          HG22      THR 104  13.259  -0.294 -17.755
  801   3HG2  THR 104          HG23      THR 104  14.517  -0.867 -16.638
  802    H    LEU 105           H        LEU 105  11.747   0.686 -16.395
  803    HA   LEU 105           HA       LEU 105   9.153   1.059 -15.627
  804   1HB   LEU 105          HB2       LEU 105  10.638   2.923 -16.182
  805   2HB   LEU 105          HB3       LEU 105  10.483   2.532 -17.907
  806    HG   LEU 105           HG       LEU 105   8.012   2.948 -17.743
  807   1HD1  LEU 105          HD11      LEU 105   7.189   4.241 -15.706
  808   2HD1  LEU 105          HD12      LEU 105   7.513   2.538 -15.401
  809   3HD1  LEU 105          HD13      LEU 105   8.684   3.774 -14.879
  810   1HD2  LEU 105          HD21      LEU 105   8.087   5.282 -17.818
  811   2HD2  LEU 105          HD22      LEU 105   9.443   5.390 -16.705
  812   3HD2  LEU 105          HD23      LEU 105   9.700   4.763 -18.350
  813    H    LYS 106           H        LYS 106  10.051   0.131 -19.017
  814    HA   LYS 106           HA       LYS 106   7.228  -0.223 -19.691
  815   1HB   LYS 106          HB2       LYS 106   9.772  -1.227 -21.005
  816   2HB   LYS 106          HB3       LYS 106   8.176  -1.600 -21.623
  817   1HG   LYS 106          HG2       LYS 106   9.042   1.286 -21.187
  818   2HG   LYS 106          HG3       LYS 106   9.411   0.410 -22.678
  819   1HD   LYS 106          HD2       LYS 106   7.105   0.115 -23.236
  820   2HD   LYS 106          HD3       LYS 106   6.570   0.596 -21.635
  821   1HE   LYS 106          HE2       LYS 106   6.091   2.388 -23.149
  822   2HE   LYS 106          HE3       LYS 106   7.348   2.913 -22.029
  823   1HZ   LYS 106          HZ1       LYS 106   7.858   2.002 -24.805
  824   2HZ   LYS 106          HZ2       LYS 106   7.775   3.571 -24.327
  825   3HZ   LYS 106          HZ3       LYS 106   8.976   2.627 -23.760
  826    H    GLU 107           H        GLU 107   9.827  -2.434 -18.631
  827    HA   GLU 107           HA       GLU 107   8.603  -4.824 -18.952
  828   1HB   GLU 107          HB2       GLU 107  10.935  -4.418 -18.223
  829   2HB   GLU 107          HB3       GLU 107  10.331  -3.982 -16.621
  830   1HG   GLU 107          HG2       GLU 107   9.440  -6.307 -16.362
  831   2HG   GLU 107          HG3       GLU 107  10.162  -6.713 -17.928
  832    H    TYR 108           H        TYR 108   8.060  -2.734 -16.065
  833    HA   TYR 108           HA       TYR 108   6.523  -4.634 -14.631
  834   1HB   TYR 108          HB2       TYR 108   7.557  -2.434 -13.834
  835   2HB   TYR 108          HB3       TYR 108   6.168  -1.616 -14.532
  836    HD1  TYR 108           HD1      TYR 108   4.118  -1.467 -13.238
  837    HD2  TYR 108           HD2      TYR 108   7.158  -4.291 -12.109
  838    HE1  TYR 108           HE1      TYR 108   2.938  -1.875 -11.105
  839    HE2  TYR 108           HE2      TYR 108   5.991  -4.738  -9.992
  840    HH   TYR 108           HH       TYR 108   4.201  -4.233  -8.661
  841    H    VAL 109           H        VAL 109   5.677  -2.915 -17.459
  842    HA   VAL 109           HA       VAL 109   2.745  -3.233 -17.027
  843    HB   VAL 109           HB       VAL 109   4.231  -1.221 -18.770
  844   1HG1  VAL 109          HG11      VAL 109   2.186   0.063 -18.694
  845   2HG1  VAL 109          HG12      VAL 109   1.795  -1.558 -19.282
  846   3HG1  VAL 109          HG13      VAL 109   1.425  -1.114 -17.594
  847   1HG2  VAL 109          HG21      VAL 109   4.976  -0.723 -16.533
  848   2HG2  VAL 109          HG22      VAL 109   3.689   0.410 -16.900
  849   3HG2  VAL 109          HG23      VAL 109   3.344  -0.993 -15.871
  850    H    THR 110           H        THR 110   5.325  -3.327 -19.596
  851    HA   THR 110           HA       THR 110   3.512  -4.524 -21.533
  852    HB   THR 110           HB       THR 110   5.537  -4.459 -22.952
  853    HG1  THR 110           HG1      THR 110   7.476  -3.758 -22.072
  854   1HG2  THR 110          HG21      THR 110   5.338  -1.841 -21.368
  855   2HG2  THR 110          HG22      THR 110   5.890  -2.065 -23.041
  856   3HG2  THR 110          HG23      THR 110   4.191  -2.343 -22.631
  857    H    GLY 111           H        GLY 111   5.898  -5.577 -19.174
  858   1HA   GLY 111          HA2       GLY 111   6.321  -7.758 -18.440
  859   2HA   GLY 111          HA3       GLY 111   5.550  -8.428 -19.883
  860    H    SER 112           H        SER 112   7.700  -5.870 -20.797
  861    HA   SER 112           HA       SER 112   9.967  -7.735 -21.229
  862   1HB   SER 112          HB2       SER 112   8.628  -5.999 -23.346
  863   2HB   SER 112          HB3       SER 112  10.034  -7.051 -23.584
  864    HG   SER 112           HG       SER 112   8.072  -8.024 -24.277
  865    H    HIS 113           H        HIS 113  11.999  -6.719 -21.419
  866    HA   HIS 113           HA       HIS 113  12.439  -4.349 -19.986
  867   1HB   HIS 113          HB2       HIS 113  14.158  -5.717 -22.092
  868   2HB   HIS 113          HB3       HIS 113  14.701  -4.376 -21.090
  869    HD1  HIS 113           HD1      HIS 113  14.283  -8.127 -20.910
  870    HD2  HIS 113           HD2      HIS 113  14.888  -4.815 -18.381
  871    HE1  HIS 113           HE1      HIS 113  15.039  -9.061 -18.675
  872    H    GLY 114           H        GLY 114  12.590  -2.179 -20.528
  873   1HA   GLY 114          HA2       GLY 114  13.133  -1.035 -22.982
  874   2HA   GLY 114          HA3       GLY 114  11.369  -1.214 -22.930
  875    H    ASP 115           H        ASP 115  12.122   1.268 -23.072
  876    HA   ASP 115           HA       ASP 115  11.971   2.505 -20.415
  877   1HB   ASP 115          HB2       ASP 115  13.793   3.930 -20.849
  878   2HB   ASP 115          HB3       ASP 115  14.372   2.308 -21.200
  879    H    VAL 116           H        VAL 116  11.856   5.055 -20.950
  880    HA   VAL 116           HA       VAL 116   9.801   5.492 -23.085
  881    HB   VAL 116           HB       VAL 116  10.060   6.475 -20.226
  882   1HG1  VAL 116          HG11      VAL 116   8.190   7.730 -22.257
  883   2HG1  VAL 116          HG12      VAL 116   8.162   7.985 -20.511
  884   3HG1  VAL 116          HG13      VAL 116   9.553   8.521 -21.448
  885   1HG2  VAL 116          HG21      VAL 116   7.774   5.209 -21.798
  886   2HG2  VAL 116          HG22      VAL 116   8.794   4.390 -20.598
  887   3HG2  VAL 116          HG23      VAL 116   7.704   5.688 -20.096
  888    H    LEU 117           H        LEU 117   9.914   7.857 -23.887
  889    HA   LEU 117           HA       LEU 117  12.367   8.664 -24.914
  890   1HB   LEU 117          HB2       LEU 117   9.935   9.472 -25.323
  891   2HB   LEU 117          HB3       LEU 117  10.191  10.567 -23.977
  892    HG   LEU 117           HG       LEU 117  11.676  10.513 -26.644
  893   1HD1  LEU 117          HD11      LEU 117  10.536  12.637 -27.051
  894   2HD1  LEU 117          HD12      LEU 117   9.354  11.372 -26.695
  895   3HD1  LEU 117          HD13      LEU 117   9.779  12.563 -25.447
  896   1HD2  LEU 117          HD21      LEU 117  13.331  11.328 -25.147
  897   2HD2  LEU 117          HD22      LEU 117  12.651  12.708 -25.970
  898   3HD2  LEU 117          HD23      LEU 117  12.154  12.372 -24.298
  899    H    ASP 118           H        ASP 118  14.183   9.572 -23.984
  900    HA   ASP 118           HA       ASP 118  14.126  10.483 -21.155
  901   1HB   ASP 118          HB2       ASP 118  15.890   8.947 -21.522
  902   2HB   ASP 118          HB3       ASP 118  16.402   9.774 -22.998
  903    HA   PRO 119           HA       PRO 119  13.967  14.403 -23.421
  904   1HB   PRO 119          HB2       PRO 119  12.684  15.964 -21.612
  905   2HB   PRO 119          HB3       PRO 119  11.834  14.669 -22.475
  906   1HG   PRO 119          HG2       PRO 119  13.100  14.530 -19.708
  907   2HG   PRO 119          HG3       PRO 119  11.426  14.082 -20.166
  908   1HD   PRO 119          HD2       PRO 119  13.442  12.237 -20.007
  909   2HD   PRO 119          HD3       PRO 119  12.172  12.131 -21.264
  910    H    PHE 120           H        PHE 120  15.922  13.569 -20.709
  911    HA   PHE 120           HA       PHE 120  16.409  16.048 -19.546
  912   1HB   PHE 120          HB2       PHE 120  17.082  13.859 -18.624
  913   2HB   PHE 120          HB3       PHE 120  18.380  13.758 -19.811
  914    HD1  PHE 120           HD1      PHE 120  17.063  15.774 -16.928
  915    HD2  PHE 120           HD2      PHE 120  20.479  14.887 -19.417
  916    HE1  PHE 120           HE1      PHE 120  18.518  17.061 -15.393
  917    HE2  PHE 120           HE2      PHE 120  21.928  16.186 -17.878
  918    HZ   PHE 120           HZ       PHE 120  20.953  17.273 -15.863
  919    H    GLY 121           H        GLY 121  17.164  17.874 -20.355
  920   1HA   GLY 121          HA2       GLY 121  18.836  19.262 -21.240
  921   2HA   GLY 121          HA3       GLY 121  19.460  17.931 -22.218
  922    H    GLY 122           H        GLY 122  16.132  17.762 -22.662
  923   1HA   GLY 122          HA2       GLY 122  16.318  18.958 -25.311
  924   2HA   GLY 122          HA3       GLY 122  14.999  18.010 -24.622
  925    H    SER 123           H        SER 123  14.138  19.989 -26.040
  926    HA   SER 123           HA       SER 123  13.720  22.486 -24.583
  927   1HB   SER 123          HB2       SER 123  12.325  21.361 -27.056
  928   2HB   SER 123          HB3       SER 123  12.337  23.048 -26.510
  929    HG   SER 123           HG       SER 123  13.845  22.667 -28.193
  930    H    ILE 124           H        ILE 124  11.361  23.116 -24.159
  931    HA   ILE 124           HA       ILE 124  10.118  21.375 -22.376
  932    HB   ILE 124           HB       ILE 124   9.756  23.747 -22.329
  933   1HG1  ILE 124          HG12      ILE 124   7.334  23.935 -22.062
  934   2HG1  ILE 124          HG13      ILE 124   7.074  22.438 -22.953
  935   1HG2  ILE 124          HG21      ILE 124   8.228  23.542 -24.959
  936   2HG2  ILE 124          HG22      ILE 124   8.399  24.984 -23.949
  937   3HG2  ILE 124          HG23      ILE 124   9.819  24.307 -24.737
  938   1HD1  ILE 124          HD11      ILE 124   6.906  22.185 -20.478
  939   2HD1  ILE 124          HD12      ILE 124   8.159  21.147 -21.171
  940   3HD1  ILE 124          HD13      ILE 124   8.616  22.646 -20.330
  941    H    ASP 125           H        ASP 125   9.680  21.621 -25.864
  942    HA   ASP 125           HA       ASP 125   7.341  20.064 -26.103
  943   1HB   ASP 125          HB2       ASP 125   8.243  21.369 -27.964
  944   2HB   ASP 125          HB3       ASP 125   9.669  20.327 -28.032
  945    H    ILE 126           H        ILE 126  10.715  19.080 -25.661
  946    HA   ILE 126           HA       ILE 126  10.265  16.301 -26.379
  947    HB   ILE 126           HB       ILE 126  12.550  17.435 -24.743
  948   1HG1  ILE 126          HG12      ILE 126  12.503  18.756 -26.787
  949   2HG1  ILE 126          HG13      ILE 126  13.842  17.627 -26.837
  950   1HG2  ILE 126          HG21      ILE 126  12.335  14.968 -26.525
  951   2HG2  ILE 126          HG22      ILE 126  13.787  15.498 -25.644
  952   3HG2  ILE 126          HG23      ILE 126  12.340  14.974 -24.767
  953   1HD1  ILE 126          HD11      ILE 126  11.194  17.268 -28.319
  954   2HD1  ILE 126          HD12      ILE 126  12.724  17.818 -29.019
  955   3HD1  ILE 126          HD13      ILE 126  12.588  16.165 -28.402
  956    H    TYR 127           H        TYR 127  10.296  18.203 -23.369
  957    HA   TYR 127           HA       TYR 127   9.824  15.958 -21.636
  958   1HB   TYR 127          HB2       TYR 127   9.436  18.960 -21.345
  959   2HB   TYR 127          HB3       TYR 127   9.004  17.820 -20.080
  960    HD1  TYR 127           HD1      TYR 127  10.624  16.573 -18.878
  961    HD2  TYR 127           HD2      TYR 127  11.886  19.255 -21.968
  962    HE1  TYR 127           HE1      TYR 127  12.949  16.544 -17.941
  963    HE2  TYR 127           HE2      TYR 127  14.192  19.223 -21.088
  964    HH   TYR 127           HH       TYR 127  15.509  18.683 -19.249
  965    H    LYS 128           H        LYS 128   7.763  18.237 -23.378
  966    HA   LYS 128           HA       LYS 128   5.287  17.239 -22.380
  967   1HB   LYS 128          HB2       LYS 128   4.989  19.273 -23.243
  968   2HB   LYS 128          HB3       LYS 128   6.151  19.083 -24.518
  969   1HG   LYS 128          HG2       LYS 128   3.445  17.718 -24.736
  970   2HG   LYS 128          HG3       LYS 128   3.657  19.436 -25.071
  971   1HD   LYS 128          HD2       LYS 128   5.539  18.801 -26.664
  972   2HD   LYS 128          HD3       LYS 128   4.976  17.127 -26.543
  973   1HE   LYS 128          HE2       LYS 128   2.756  17.799 -27.389
  974   2HE   LYS 128          HE3       LYS 128   3.258  19.497 -27.381
  975   1HZ   LYS 128          HZ1       LYS 128   4.357  17.376 -29.119
  976   2HZ   LYS 128          HZ2       LYS 128   3.488  18.676 -29.581
  977   3HZ   LYS 128          HZ3       LYS 128   5.013  18.879 -28.994
  978    H    GLN 129           H        GLN 129   7.200  16.184 -25.190
  979    HA   GLN 129           HA       GLN 129   5.334  14.189 -26.030
  980   1HB   GLN 129          HB2       GLN 129   8.360  14.424 -26.355
  981   2HB   GLN 129          HB3       GLN 129   7.419  13.086 -27.017
  982   1HG   GLN 129          HG2       GLN 129   6.088  14.688 -28.372
  983   2HG   GLN 129          HG3       GLN 129   7.073  16.014 -27.761
  984   1HE2  GLN 129          HE22      GLN 129   8.611  16.651 -29.315
  985   2HE2  GLN 129          HE21      GLN 129   9.470  15.518 -30.339
  986    H    THR 130           H        THR 130   8.081  14.132 -23.772
  987    HA   THR 130           HA       THR 130   7.986  11.378 -23.166
  988    HB   THR 130           HB       THR 130   8.829  13.720 -21.394
  989    HG1  THR 130           HG1      THR 130   9.993  13.683 -23.288
  990   1HG2  THR 130          HG21      THR 130   9.547  10.773 -21.227
  991   2HG2  THR 130          HG22      THR 130  10.248  12.068 -20.232
  992   3HG2  THR 130          HG23      THR 130   8.548  11.660 -20.057
  993    H    ARG 131           H        ARG 131   6.309  14.129 -21.592
  994    HA   ARG 131           HA       ARG 131   5.278  12.423 -19.557
  995   1HB   ARG 131          HB2       ARG 131   4.323  14.229 -18.578
  996   2HB   ARG 131          HB3       ARG 131   5.588  14.988 -19.529
  997   1HG   ARG 131          HG2       ARG 131   3.625  15.246 -21.322
  998   2HG   ARG 131          HG3       ARG 131   2.589  15.022 -19.897
  999   1HD   ARG 131          HD2       ARG 131   4.063  16.838 -18.788
 1000   2HD   ARG 131          HD3       ARG 131   4.706  17.135 -20.400
 1001    HE   ARG 131           HE       ARG 131   2.600  18.410 -19.333
 1002   1HH1  ARG 131          HH21      ARG 131   2.868  16.491 -22.369
 1003   2HH1  ARG 131          HH22      ARG 131   1.590  17.353 -23.130
 1004   1HH2  ARG 131          HH11      ARG 131   0.890  19.466 -20.392
 1005   2HH2  ARG 131          HH12      ARG 131   0.493  19.088 -22.020
 1006    H    ASP 132           H        ASP 132   4.079  13.196 -22.781
 1007    HA   ASP 132           HA       ASP 132   1.454  12.134 -22.384
 1008   1HB   ASP 132          HB2       ASP 132   1.965  13.535 -24.312
 1009   2HB   ASP 132          HB3       ASP 132   3.147  12.360 -24.895
 1010    H    GLU 133           H        GLU 133   4.528  10.631 -23.470
 1011    HA   GLU 133           HA       GLU 133   3.355   8.030 -23.851
 1012   1HB   GLU 133          HB2       GLU 133   5.497   8.677 -24.910
 1013   2HB   GLU 133          HB3       GLU 133   6.252   8.841 -23.315
 1014   1HG   GLU 133          HG2       GLU 133   5.869   6.415 -22.894
 1015   2HG   GLU 133          HG3       GLU 133   5.092   6.267 -24.470
 1016    H    LEU 134           H        LEU 134   5.024   9.633 -21.200
 1017    HA   LEU 134           HA       LEU 134   5.163   7.466 -19.426
 1018   1HB   LEU 134          HB2       LEU 134   6.398   9.703 -19.398
 1019   2HB   LEU 134          HB3       LEU 134   4.917  10.428 -18.765
 1020    HG   LEU 134           HG       LEU 134   5.128   9.020 -16.730
 1021   1HD1  LEU 134          HD11      LEU 134   6.314   7.072 -17.572
 1022   2HD1  LEU 134          HD12      LEU 134   7.696   8.082 -18.064
 1023   3HD1  LEU 134          HD13      LEU 134   7.318   7.846 -16.345
 1024   1HD2  LEU 134          HD21      LEU 134   6.092  11.270 -16.751
 1025   2HD2  LEU 134          HD22      LEU 134   7.196  10.194 -15.883
 1026   3HD2  LEU 134          HD23      LEU 134   7.563  10.680 -17.544
 1027    H    GLU 135           H        GLU 135   2.599   9.924 -19.886
 1028    HA   GLU 135           HA       GLU 135   1.013   9.035 -17.696
 1029   1HB   GLU 135          HB2       GLU 135   0.774  11.258 -18.888
 1030   2HB   GLU 135          HB3       GLU 135   0.068  10.391 -20.260
 1031   1HG   GLU 135          HG2       GLU 135  -1.697   9.516 -18.592
 1032   2HG   GLU 135          HG3       GLU 135  -1.019  10.658 -17.428
 1033    H    GLU 136           H        GLU 136   1.130   8.100 -21.130
 1034    HA   GLU 136           HA       GLU 136  -1.179   6.457 -21.027
 1035   1HB   GLU 136          HB2       GLU 136  -0.096   7.319 -23.132
 1036   2HB   GLU 136          HB3       GLU 136   1.292   6.287 -22.829
 1037   1HG   GLU 136          HG2       GLU 136  -0.094   5.294 -24.530
 1038   2HG   GLU 136          HG3       GLU 136  -0.086   4.272 -23.097
 1039    H    LEU 137           H        LEU 137   2.261   5.755 -20.461
 1040    HA   LEU 137           HA       LEU 137   1.839   2.968 -19.927
 1041   1HB   LEU 137          HB2       LEU 137   4.036   3.816 -20.518
 1042   2HB   LEU 137          HB3       LEU 137   4.066   4.872 -19.111
 1043    HG   LEU 137           HG       LEU 137   3.524   2.096 -18.292
 1044   1HD1  LEU 137          HD11      LEU 137   5.626   1.073 -18.843
 1045   2HD1  LEU 137          HD12      LEU 137   4.755   1.487 -20.320
 1046   3HD1  LEU 137          HD13      LEU 137   6.129   2.499 -19.786
 1047   1HD2  LEU 137          HD21      LEU 137   5.432   2.483 -16.814
 1048   2HD2  LEU 137          HD22      LEU 137   5.802   3.995 -17.680
 1049   3HD2  LEU 137          HD23      LEU 137   4.292   3.835 -16.764
 1050    H    LEU 138           H        LEU 138   1.897   5.887 -17.857
 1051    HA   LEU 138           HA       LEU 138   1.772   4.324 -15.468
 1052   1HB   LEU 138          HB2       LEU 138   1.422   7.271 -15.982
 1053   2HB   LEU 138          HB3       LEU 138   1.208   6.581 -14.383
 1054    HG   LEU 138           HG       LEU 138   3.773   6.291 -16.009
 1055   1HD1  LEU 138          HD11      LEU 138   3.151   8.111 -13.650
 1056   2HD1  LEU 138          HD12      LEU 138   4.700   7.954 -14.507
 1057   3HD1  LEU 138          HD13      LEU 138   3.293   8.622 -15.349
 1058   1HD2  LEU 138          HD21      LEU 138   4.827   5.608 -13.906
 1059   2HD2  LEU 138          HD22      LEU 138   3.261   5.632 -13.083
 1060   3HD2  LEU 138          HD23      LEU 138   3.582   4.463 -14.382
 1061    H    ARG 139           H        ARG 139  -0.779   5.539 -17.585
 1062    HA   ARG 139           HA       ARG 139  -2.876   4.985 -15.685
 1063   1HB   ARG 139          HB2       ARG 139  -3.148   6.296 -17.858
 1064   2HB   ARG 139          HB3       ARG 139  -3.041   4.749 -18.716
 1065   1HG   ARG 139          HG2       ARG 139  -5.035   3.947 -17.342
 1066   2HG   ARG 139          HG3       ARG 139  -5.115   5.555 -16.618
 1067   1HD   ARG 139          HD2       ARG 139  -6.768   5.430 -18.347
 1068   2HD   ARG 139          HD3       ARG 139  -5.506   6.522 -18.904
 1069    HE   ARG 139           HE       ARG 139  -6.078   3.742 -19.821
 1070   1HH1  ARG 139          HH22      ARG 139  -4.327   6.783 -20.417
 1071   2HH1  ARG 139          HH21      ARG 139  -3.657   6.241 -21.932
 1072   1HH2  ARG 139          HH11      ARG 139  -5.145   3.049 -21.813
 1073   2HH2  ARG 139          HH12      ARG 139  -4.012   4.071 -22.647
 1074    H    GLN 140           H        GLN 140  -1.163   2.995 -18.121
 1075    HA   GLN 140           HA       GLN 140  -2.631   0.624 -17.471
 1076   1HB   GLN 140          HB2       GLN 140   0.140   0.898 -18.651
 1077   2HB   GLN 140          HB3       GLN 140  -0.800  -0.604 -18.538
 1078   1HG   GLN 140          HG2       GLN 140  -2.468   0.281 -20.073
 1079   2HG   GLN 140          HG3       GLN 140  -1.631   1.839 -20.140
 1080   1HE2  GLN 140          HE22      GLN 140  -1.054  -1.699 -20.756
 1081   2HE2  GLN 140          HE21      GLN 140   0.077  -1.441 -22.055
 1082    H    LEU 141           H        LEU 141   0.288   2.113 -16.059
 1083    HA   LEU 141           HA       LEU 141   0.931  -0.004 -14.306
 1084   1HB   LEU 141          HB2       LEU 141   2.114   2.315 -14.820
 1085   2HB   LEU 141          HB3       LEU 141   1.207   2.865 -13.417
 1086    HG   LEU 141           HG       LEU 141   2.510   0.396 -12.667
 1087   1HD1  LEU 141          HD11      LEU 141   3.908   0.891 -14.699
 1088   2HD1  LEU 141          HD12      LEU 141   4.490   2.343 -13.879
 1089   3HD1  LEU 141          HD13      LEU 141   4.766   0.729 -13.180
 1090   1HD2  LEU 141          HD21      LEU 141   3.711   1.799 -11.071
 1091   2HD2  LEU 141          HD22      LEU 141   3.198   3.267 -11.932
 1092   3HD2  LEU 141          HD23      LEU 141   1.998   2.242 -11.120
 1093    H    ALA 142           H        ALA 142  -1.435   2.641 -13.961
 1094    HA   ALA 142           HA       ALA 142  -2.239   1.942 -11.319
 1095   1HB   ALA 142          HB1       ALA 142  -3.931   3.279 -13.475
 1096   2HB   ALA 142          HB2       ALA 142  -4.198   3.315 -11.727
 1097   3HB   ALA 142          HB3       ALA 142  -2.775   4.114 -12.413
 1098    H    LYS 143           H        LYS 143  -3.416   0.919 -14.538
 1099    HA   LYS 143           HA       LYS 143  -5.452  -0.837 -13.603
 1100   1HB   LYS 143          HB2       LYS 143  -3.730  -1.158 -16.097
 1101   2HB   LYS 143          HB3       LYS 143  -5.197  -2.059 -15.750
 1102   1HG   LYS 143          HG2       LYS 143  -6.569  -0.050 -15.889
 1103   2HG   LYS 143          HG3       LYS 143  -5.145   0.969 -15.970
 1104   1HD   LYS 143          HD2       LYS 143  -5.717   0.951 -18.161
 1105   2HD   LYS 143          HD3       LYS 143  -4.552  -0.358 -18.170
 1106   1HE   LYS 143          HE2       LYS 143  -7.597  -0.681 -17.977
 1107   2HE   LYS 143          HE3       LYS 143  -6.686  -0.728 -19.484
 1108   1HZ   LYS 143          HZ1       LYS 143  -6.430  -2.686 -17.279
 1109   2HZ   LYS 143          HZ2       LYS 143  -7.117  -2.934 -18.729
 1110   3HZ   LYS 143          HZ3       LYS 143  -5.513  -2.690 -18.646
 1111    H    GLN 144           H        GLN 144  -1.993  -1.441 -14.173
 1112    HA   GLN 144           HA       GLN 144  -1.904  -4.188 -13.516
 1113   1HB   GLN 144          HB2       GLN 144   0.137  -1.944 -13.225
 1114   2HB   GLN 144          HB3       GLN 144   0.523  -3.571 -12.765
 1115   1HG   GLN 144          HG2       GLN 144  -0.341  -2.779 -15.575
 1116   2HG   GLN 144          HG3       GLN 144   1.326  -2.866 -15.021
 1117   1HE2  GLN 144          HE22      GLN 144   2.368  -4.892 -15.133
 1118   2HE2  GLN 144          HE21      GLN 144   1.522  -6.384 -15.495
 1119    H    LEU 145           H        LEU 145  -1.390  -1.325 -11.392
 1120    HA   LEU 145           HA       LEU 145  -1.051  -2.938  -9.087
 1121   1HB   LEU 145          HB2       LEU 145  -1.619   0.021  -9.435
 1122   2HB   LEU 145          HB3       LEU 145  -1.333  -0.720  -7.859
 1123    HG   LEU 145           HG       LEU 145   0.654  -0.780 -10.179
 1124   1HD1  LEU 145          HD11      LEU 145   1.946   0.807  -8.869
 1125   2HD1  LEU 145          HD12      LEU 145   0.345   1.462  -9.203
 1126   3HD1  LEU 145          HD13      LEU 145   0.708   0.816  -7.587
 1127   1HD2  LEU 145          HD21      LEU 145   1.045  -2.729  -8.805
 1128   2HD2  LEU 145          HD22      LEU 145   2.264  -1.527  -8.422
 1129   3HD2  LEU 145          HD23      LEU 145   0.891  -1.767  -7.311
 1130    H    LYS 146           H        LYS 146  -4.006  -1.389 -10.413
 1131    HA   LYS 146           HA       LYS 146  -5.575  -1.815  -8.084
 1132   1HB   LYS 146          HB2       LYS 146  -6.053  -0.761 -10.703
 1133   2HB   LYS 146          HB3       LYS 146  -7.194  -2.086 -10.501
 1134   1HG   LYS 146          HG2       LYS 146  -7.838  -1.087  -8.260
 1135   2HG   LYS 146          HG3       LYS 146  -6.780   0.290  -8.641
 1136   1HD   LYS 146          HD2       LYS 146  -8.149   0.783 -10.646
 1137   2HD   LYS 146          HD3       LYS 146  -9.204  -0.595 -10.276
 1138   1HE   LYS 146          HE2       LYS 146  -9.863   0.413  -8.139
 1139   2HE   LYS 146          HE3       LYS 146  -8.731   1.746  -8.371
 1140   1HZ   LYS 146          HZ1       LYS 146 -10.038   2.459 -10.292
 1141   2HZ   LYS 146          HZ2       LYS 146 -11.111   1.229 -10.058
 1142   3HZ   LYS 146          HZ3       LYS 146 -10.949   2.413  -8.941
 1143    H    LYS 147           H        LYS 147  -4.685  -4.067 -10.700
 1144    HA   LYS 147           HA       LYS 147  -6.533  -6.144  -9.882
 1145   1HB   LYS 147          HB2       LYS 147  -3.859  -6.248 -11.341
 1146   2HB   LYS 147          HB3       LYS 147  -4.867  -7.666 -11.035
 1147   1HG   LYS 147          HG2       LYS 147  -6.711  -6.721 -12.324
 1148   2HG   LYS 147          HG3       LYS 147  -5.812  -5.229 -12.614
 1149   1HD   LYS 147          HD2       LYS 147  -4.917  -7.998 -13.527
 1150   2HD   LYS 147          HD3       LYS 147  -5.789  -6.830 -14.539
 1151   1HE   LYS 147          HE2       LYS 147  -3.946  -5.186 -14.228
 1152   2HE   LYS 147          HE3       LYS 147  -3.055  -6.367 -13.259
 1153   1HZ   LYS 147          HZ1       LYS 147  -2.260  -6.364 -15.506
 1154   2HZ   LYS 147          HZ2       LYS 147  -2.975  -7.808 -15.224
 1155   3HZ   LYS 147          HZ3       LYS 147  -3.746  -6.680 -16.123
 1156    H    ASP 148           H        ASP 148  -3.034  -5.617  -9.220
 1157    HA   ASP 148           HA       ASP 148  -3.238  -6.104  -6.462
 1158   1HB   ASP 148          HB2       ASP 148  -3.435  -8.548  -7.347
 1159   2HB   ASP 148          HB3       ASP 148  -1.793  -8.342  -7.951
 1160    H    ARG 149           H        ARG 149  -0.941  -6.110  -5.568
 1161    HA   ARG 149           HA       ARG 149   1.081  -4.585  -7.019
 1162   1HB   ARG 149          HB2       ARG 149   1.356  -6.612  -4.748
 1163   2HB   ARG 149          HB3       ARG 149   2.641  -5.564  -5.347
 1164   1HG   ARG 149          HG2       ARG 149   1.352  -3.564  -4.627
 1165   2HG   ARG 149          HG3       ARG 149   0.083  -4.609  -3.975
 1166   1HD   ARG 149          HD2       ARG 149   3.010  -4.692  -3.123
 1167   2HD   ARG 149          HD3       ARG 149   1.746  -3.814  -2.249
 1168    HE   ARG 149           HE       ARG 149   0.653  -6.259  -2.324
 1169   1HH1  ARG 149          HH21      ARG 149   3.946  -5.241  -1.343
 1170   2HH1  ARG 149          HH22      ARG 149   4.157  -6.585  -0.277
 1171   1HH2  ARG 149          HH11      ARG 149   0.971  -8.016  -0.893
 1172   2HH2  ARG 149          HH12      ARG 149   2.433  -8.170   0.002
 1173    H    ARG 150           H        ARG 150   2.247  -5.374  -8.761
 1174    HA   ARG 150           HA       ARG 150   1.756  -8.049  -9.702
 1175   1HB   ARG 150          HB2       ARG 150   4.010  -6.197 -10.532
 1176   2HB   ARG 150          HB3       ARG 150   3.406  -7.591 -11.412
 1177   1HG   ARG 150          HG2       ARG 150   2.184  -4.858 -11.112
 1178   2HG   ARG 150          HG3       ARG 150   2.530  -5.763 -12.580
 1179   1HD   ARG 150          HD2       ARG 150   0.257  -6.026 -10.628
 1180   2HD   ARG 150          HD3       ARG 150   0.158  -5.629 -12.333
 1181    HE   ARG 150           HE       ARG 150   1.077  -8.069 -12.615
 1182   1HH1  ARG 150          HH21      ARG 150  -1.291  -6.922 -10.238
 1183   2HH1  ARG 150          HH22      ARG 150  -2.210  -8.397 -10.226
 1184   1HH2  ARG 150          HH11      ARG 150  -0.112 -10.055 -12.562
 1185   2HH2  ARG 150          HH12      ARG 150  -1.507 -10.219 -11.570
  Start of MODEL   12
    1   1H    MET   1           H1       MET   1   1.400  -1.265  -0.238
    2   2H    MET   1           H2       MET   1   2.603  -0.400   0.467
    3   3H    MET   1           H3       MET   1   1.335   0.377  -0.205
    4    HA   MET   1           HA       MET   1   3.354  -1.198  -1.643
    5   1HB   MET   1          HB2       MET   1   1.156  -1.400  -2.716
    6   2HB   MET   1          HB3       MET   1   0.972   0.354  -2.750
    7   1HG   MET   1          HG2       MET   1   1.659  -0.636  -4.917
    8   2HG   MET   1          HG3       MET   1   2.792   0.580  -4.340
    9   1HE   MET   1          HE1       MET   1   2.580  -2.475  -6.219
   10   2HE   MET   1          HE2       MET   1   3.719  -1.190  -6.690
   11   3HE   MET   1          HE3       MET   1   4.307  -2.835  -6.320
   12    H    ASP   2           H        ASP   2   5.188  -0.056  -2.175
   13    HA   ASP   2           HA       ASP   2   5.190   2.879  -2.022
   14   1HB   ASP   2          HB2       ASP   2   5.735   2.064   0.225
   15   2HB   ASP   2          HB3       ASP   2   7.028   1.077  -0.436
   16    H    ILE   3           H        ILE   3   6.187   3.529  -3.902
   17    HA   ILE   3           HA       ILE   3   7.778   1.514  -5.388
   18    HB   ILE   3           HB       ILE   3   6.058   3.734  -6.516
   19   1HG1  ILE   3          HG12      ILE   3   5.298   0.791  -6.271
   20   2HG1  ILE   3          HG13      ILE   3   4.637   2.090  -5.284
   21   1HG2  ILE   3          HG21      ILE   3   7.833   3.030  -8.042
   22   2HG2  ILE   3          HG22      ILE   3   7.365   1.330  -7.859
   23   3HG2  ILE   3          HG23      ILE   3   6.287   2.493  -8.662
   24   1HD1  ILE   3          HD11      ILE   3   4.212   1.757  -8.261
   25   2HD1  ILE   3          HD12      ILE   3   3.046   1.592  -6.940
   26   3HD1  ILE   3          HD13      ILE   3   3.714   3.188  -7.314
   27    H    ILE   4           H        ILE   4   9.873   2.147  -6.036
   28    HA   ILE   4           HA       ILE   4  10.549   5.038  -5.789
   29    HB   ILE   4           HB       ILE   4  12.527   2.750  -5.897
   30   1HG1  ILE   4          HG12      ILE   4  11.544   4.171  -3.392
   31   2HG1  ILE   4          HG13      ILE   4  11.142   2.516  -3.860
   32   1HG2  ILE   4          HG21      ILE   4  12.895   5.636  -4.972
   33   2HG2  ILE   4          HG22      ILE   4  14.158   4.415  -5.236
   34   3HG2  ILE   4          HG23      ILE   4  13.283   5.064  -6.604
   35   1HD1  ILE   4          HD11      ILE   4  13.538   1.877  -3.761
   36   2HD1  ILE   4          HD12      ILE   4  13.927   3.523  -3.232
   37   3HD1  ILE   4          HD13      ILE   4  12.929   2.492  -2.215
   38    H    PHE   5           H        PHE   5  10.410   6.028  -7.716
   39    HA   PHE   5           HA       PHE   5  11.000   4.639 -10.232
   40   1HB   PHE   5          HB2       PHE   5  10.359   7.545  -9.513
   41   2HB   PHE   5          HB3       PHE   5  10.680   6.993 -11.143
   42    HD1  PHE   5           HD1      PHE   5   9.169   5.099 -12.116
   43    HD2  PHE   5           HD2      PHE   5   8.120   7.468  -8.662
   44    HE1  PHE   5           HE1      PHE   5   6.777   4.529 -12.446
   45    HE2  PHE   5           HE2      PHE   5   5.729   6.883  -8.999
   46    HZ   PHE   5           HZ       PHE   5   5.055   5.414 -10.886
   47    H    VAL   6           H        VAL   6  13.102   4.676 -11.146
   48    HA   VAL   6           HA       VAL   6  15.061   6.519  -9.944
   49    HB   VAL   6           HB       VAL   6  14.989   4.755  -8.385
   50   1HG1  VAL   6          HG11      VAL   6  13.946   2.966  -9.674
   51   2HG1  VAL   6          HG12      VAL   6  15.461   2.735 -10.589
   52   3HG1  VAL   6          HG13      VAL   6  15.400   2.422  -8.845
   53   1HG2  VAL   6          HG21      VAL   6  17.282   3.835  -8.456
   54   2HG2  VAL   6          HG22      VAL   6  17.474   4.434 -10.105
   55   3HG2  VAL   6          HG23      VAL   6  17.196   5.565  -8.749
   56    H    CYS   7           H        CYS   7  16.536   7.284 -11.200
   57    HA   CYS   7           HA       CYS   7  17.528   5.793 -13.536
   58   1HB   CYS   7          HB2       CYS   7  15.629   7.246 -14.323
   59   2HB   CYS   7          HB3       CYS   7  16.430   8.653 -13.643
   60    HG   CYS   7           HG       CYS   7  16.644   8.598 -16.276
   61    H    THR   8           H        THR   8  19.763   6.618 -14.087
   62    HA   THR   8           HA       THR   8  21.343   7.451 -11.876
   63    HB   THR   8           HB       THR   8  22.961   7.998 -13.849
   64    HG1  THR   8           HG1      THR   8  22.248   7.136 -15.839
   65   1HG2  THR   8          HG21      THR   8  21.733   5.225 -13.514
   66   2HG2  THR   8          HG22      THR   8  23.257   5.563 -14.378
   67   3HG2  THR   8          HG23      THR   8  23.116   5.925 -12.656
   68    H    GLY   9           H        GLY   9  20.354   9.241 -14.801
   69   1HA   GLY   9          HA2       GLY   9  21.006  11.836 -13.704
   70   2HA   GLY   9          HA3       GLY   9  20.201  11.487 -15.236
   71    H    ASN  10           H        ASN  10  18.626   9.882 -12.734
   72    HA   ASN  10           HA       ASN  10  16.506  10.006 -11.939
   73   1HB   ASN  10          HB2       ASN  10  16.574  11.282  -9.852
   74   2HB   ASN  10          HB3       ASN  10  17.964  10.252 -10.130
   75   1HD2  ASN  10          HD22      ASN  10  20.075  11.325 -10.825
   76   2HD2  ASN  10          HD21      ASN  10  20.305  12.993 -10.350
   77    H    THR  11           H        THR  11  17.135  13.532 -11.752
   78    HA   THR  11           HA       THR  11  14.644  14.543 -12.341
   79    HB   THR  11           HB       THR  11  16.186  16.478 -13.252
   80    HG1  THR  11           HG1      THR  11  18.013  14.735 -13.332
   81   1HG2  THR  11          HG21      THR  11  16.923  16.951 -10.892
   82   2HG2  THR  11          HG22      THR  11  15.197  16.549 -11.051
   83   3HG2  THR  11          HG23      THR  11  16.339  15.351 -10.421
   84    H    CYS  12           H        CYS  12  16.780  12.971 -14.692
   85    HA   CYS  12           HA       CYS  12  15.815  13.917 -17.120
   86   1HB   CYS  12          HB2       CYS  12  16.270  11.006 -16.313
   87   2HB   CYS  12          HB3       CYS  12  16.147  11.618 -17.968
   88    HG   CYS  12           HG       CYS  12  18.623  11.099 -17.509
   89    H    ARG  13           H        ARG  13  14.108  11.703 -14.834
   90    HA   ARG  13           HA       ARG  13  11.598  12.489 -16.007
   91   1HB   ARG  13          HB2       ARG  13  12.724  10.535 -17.535
   92   2HB   ARG  13          HB3       ARG  13  11.953   9.515 -16.322
   93   1HG   ARG  13          HG2       ARG  13   9.789  10.822 -16.779
   94   2HG   ARG  13          HG3       ARG  13  10.642  11.627 -18.100
   95   1HD   ARG  13          HD2       ARG  13  10.018   8.663 -17.819
   96   2HD   ARG  13          HD3       ARG  13   9.303   9.790 -18.960
   97    HE   ARG  13           HE       ARG  13  11.301   9.869 -20.237
   98   1HH1  ARG  13          HH11      ARG  13  11.367   7.331 -17.738
   99   2HH1  ARG  13          HH12      ARG  13  12.496   6.368 -18.663
  100   1HH2  ARG  13          HH21      ARG  13  12.922   8.645 -21.221
  101   2HH2  ARG  13          HH22      ARG  13  13.574   7.220 -20.463
  102    H    SER  14           H        SER  14  13.358  10.545 -13.568
  103    HA   SER  14           HA       SER  14  11.234   9.064 -12.626
  104   1HB   SER  14          HB2       SER  14  13.440  10.170 -10.864
  105   2HB   SER  14          HB3       SER  14  12.537   8.668 -10.674
  106    HG   SER  14           HG       SER  14  13.513   7.922 -12.605
  107    HA   PRO  15           HA       PRO  15   9.858  12.583  -9.640
  108   1HB   PRO  15          HB2       PRO  15  10.630  15.023 -11.199
  109   2HB   PRO  15          HB3       PRO  15  10.530  14.757  -9.433
  110   1HG   PRO  15          HG2       PRO  15  12.947  14.799 -10.686
  111   2HG   PRO  15          HG3       PRO  15  12.607  13.602  -9.393
  112   1HD   PRO  15          HD2       PRO  15  12.462  13.201 -12.393
  113   2HD   PRO  15          HD3       PRO  15  13.222  12.170 -11.151
  114    H    MET  16           H        MET  16   9.791  13.030 -13.219
  115    HA   MET  16           HA       MET  16   7.185  14.241 -13.310
  116   1HB   MET  16          HB2       MET  16   8.571  12.538 -15.428
  117   2HB   MET  16          HB3       MET  16   7.148  13.540 -15.671
  118   1HG   MET  16          HG2       MET  16   8.406  15.565 -15.347
  119   2HG   MET  16          HG3       MET  16   9.815  14.675 -14.768
  120   1HE   MET  16          HE1       MET  16   7.531  15.451 -17.839
  121   2HE   MET  16          HE2       MET  16   8.451  14.783 -19.204
  122   3HE   MET  16          HE3       MET  16   7.624  13.680 -18.072
  123    H    ALA  17           H        ALA  17   8.455  10.913 -13.450
  124    HA   ALA  17           HA       ALA  17   5.941   9.672 -13.885
  125   1HB   ALA  17          HB1       ALA  17   7.085   7.583 -13.302
  126   2HB   ALA  17          HB2       ALA  17   8.169   8.570 -14.303
  127   3HB   ALA  17          HB3       ALA  17   8.414   8.473 -12.546
  128    H    GLU  18           H        GLU  18   7.728  10.451 -10.913
  129    HA   GLU  18           HA       GLU  18   5.877   9.342  -9.083
  130   1HB   GLU  18          HB2       GLU  18   7.863   9.911  -8.105
  131   2HB   GLU  18          HB3       GLU  18   8.035  11.419  -9.014
  132   1HG   GLU  18          HG2       GLU  18   6.407  12.546  -7.615
  133   2HG   GLU  18          HG3       GLU  18   6.082  11.069  -6.724
  134    H    ALA  19           H        ALA  19   5.998  12.604 -10.520
  135    HA   ALA  19           HA       ALA  19   3.790  13.543  -9.002
  136   1HB   ALA  19          HB1       ALA  19   5.527  14.986 -10.067
  137   2HB   ALA  19          HB2       ALA  19   4.901  14.550 -11.674
  138   3HB   ALA  19          HB3       ALA  19   3.906  15.486 -10.544
  139    H    LEU  20           H        LEU  20   4.023  12.111 -12.231
  140    HA   LEU  20           HA       LEU  20   1.223  12.456 -12.835
  141   1HB   LEU  20          HB2       LEU  20   3.354  10.618 -13.986
  142   2HB   LEU  20          HB3       LEU  20   1.663  10.483 -14.450
  143    HG   LEU  20           HG       LEU  20   3.547  12.782 -15.029
  144   1HD1  LEU  20          HD11      LEU  20   3.021  12.220 -17.359
  145   2HD1  LEU  20          HD12      LEU  20   3.583  10.769 -16.502
  146   3HD1  LEU  20          HD13      LEU  20   1.861  10.992 -16.819
  147   1HD2  LEU  20          HD21      LEU  20   1.631  13.856 -16.226
  148   2HD2  LEU  20          HD22      LEU  20   0.525  12.680 -15.476
  149   3HD2  LEU  20          HD23      LEU  20   1.421  13.850 -14.479
  150    H    PHE  21           H        PHE  21   3.138   9.808 -11.345
  151    HA   PHE  21           HA       PHE  21   0.831   8.133 -11.324
  152   1HB   PHE  21          HB2       PHE  21   3.245   7.309 -11.187
  153   2HB   PHE  21          HB3       PHE  21   3.179   7.707  -9.463
  154    HD1  PHE  21           HD1      PHE  21   1.550   5.768 -12.210
  155    HD2  PHE  21           HD2      PHE  21   1.835   6.283  -7.946
  156    HE1  PHE  21           HE1      PHE  21   0.128   3.791 -11.879
  157    HE2  PHE  21           HE2      PHE  21   0.463   4.232  -7.622
  158    HZ   PHE  21           HZ       PHE  21  -0.403   2.991  -9.591
  159    H    LYS  22           H        LYS  22   2.157  10.408  -8.920
  160    HA   LYS  22           HA       LYS  22   0.321   9.741  -6.841
  161   1HB   LYS  22          HB2       LYS  22   1.706  12.344  -7.639
  162   2HB   LYS  22          HB3       LYS  22   0.636  12.257  -6.239
  163   1HG   LYS  22          HG2       LYS  22   2.058  10.727  -5.081
  164   2HG   LYS  22          HG3       LYS  22   3.044  10.424  -6.514
  165   1HD   LYS  22          HD2       LYS  22   3.944  12.675  -6.490
  166   2HD   LYS  22          HD3       LYS  22   2.812  13.173  -5.219
  167   1HE   LYS  22          HE2       LYS  22   3.860  11.650  -3.619
  168   2HE   LYS  22          HE3       LYS  22   4.968  11.040  -4.851
  169   1HZ   LYS  22          HZ1       LYS  22   4.915  13.888  -4.021
  170   2HZ   LYS  22          HZ2       LYS  22   5.881  12.783  -3.324
  171   3HZ   LYS  22          HZ3       LYS  22   6.103  13.135  -4.888
  172    H    SER  23           H        SER  23   0.069  12.067  -9.545
  173    HA   SER  23           HA       SER  23  -2.568  12.850  -8.860
  174   1HB   SER  23          HB2       SER  23  -1.246  12.878 -11.601
  175   2HB   SER  23          HB3       SER  23  -2.622  13.871 -11.065
  176    HG   SER  23           HG       SER  23   0.086  13.940 -10.229
  177    H    ILE  24           H        ILE  24  -1.445  10.194 -10.955
  178    HA   ILE  24           HA       ILE  24  -4.100   9.555 -11.845
  179    HB   ILE  24           HB       ILE  24  -1.520   7.970 -12.003
  180   1HG1  ILE  24          HG12      ILE  24  -3.086   9.352 -14.250
  181   2HG1  ILE  24          HG13      ILE  24  -1.855  10.211 -13.352
  182   1HG2  ILE  24          HG21      ILE  24  -2.765   6.580 -13.708
  183   2HG2  ILE  24          HG22      ILE  24  -3.444   6.413 -12.098
  184   3HG2  ILE  24          HG23      ILE  24  -4.258   7.459 -13.276
  185   1HD1  ILE  24          HD11      ILE  24  -0.873   9.379 -15.383
  186   2HD1  ILE  24          HD12      ILE  24  -0.162   8.511 -14.013
  187   3HD1  ILE  24          HD13      ILE  24  -1.388   7.722 -15.041
  188    H    ALA  25           H        ALA  25  -2.076   8.466  -9.112
  189    HA   ALA  25           HA       ALA  25  -3.809   6.368  -8.308
  190   1HB   ALA  25          HB1       ALA  25  -1.534   6.583  -7.395
  191   2HB   ALA  25          HB2       ALA  25  -1.973   8.122  -6.615
  192   3HB   ALA  25          HB3       ALA  25  -2.730   6.609  -6.084
  193    H    GLU  26           H        GLU  26  -3.738   9.860  -7.569
  194    HA   GLU  26           HA       GLU  26  -6.022   9.816  -5.880
  195   1HB   GLU  26          HB2       GLU  26  -4.758  12.025  -7.541
  196   2HB   GLU  26          HB3       GLU  26  -6.178  12.308  -6.544
  197   1HG   GLU  26          HG2       GLU  26  -3.547  11.217  -5.457
  198   2HG   GLU  26          HG3       GLU  26  -3.977  12.921  -5.486
  199    H    ARG  27           H        ARG  27  -5.777  10.144  -9.445
  200    HA   ARG  27           HA       ARG  27  -8.574  10.544  -9.881
  201   1HB   ARG  27          HB2       ARG  27  -6.726   8.956 -11.724
  202   2HB   ARG  27          HB3       ARG  27  -8.290   9.620 -12.121
  203   1HG   ARG  27          HG2       ARG  27  -5.675  11.050 -11.806
  204   2HG   ARG  27          HG3       ARG  27  -6.754  11.019 -13.168
  205   1HD   ARG  27          HD2       ARG  27  -7.230  12.457 -10.522
  206   2HD   ARG  27          HD3       ARG  27  -6.790  13.211 -12.059
  207    HE   ARG  27           HE       ARG  27  -9.078  11.895 -12.721
  208   1HH1  ARG  27          HH21      ARG  27  -8.312  14.233 -10.162
  209   2HH1  ARG  27          HH22      ARG  27  -9.917  14.853 -10.049
  210   1HH2  ARG  27          HH11      ARG  27 -11.223  12.712 -12.567
  211   2HH2  ARG  27          HH12      ARG  27 -11.604  13.972 -11.458
  212    H    GLU  28           H        GLU  28  -6.653   7.577  -9.618
  213    HA   GLU  28           HA       GLU  28  -8.925   5.874 -10.203
  214   1HB   GLU  28          HB2       GLU  28  -6.006   5.410  -9.472
  215   2HB   GLU  28          HB3       GLU  28  -7.121   4.076  -9.674
  216   1HG   GLU  28          HG2       GLU  28  -6.466   6.138 -11.811
  217   2HG   GLU  28          HG3       GLU  28  -5.845   4.494 -11.722
  218    H    GLY  29           H        GLY  29  -7.664   7.168  -7.241
  219   1HA   GLY  29          HA2       GLY  29  -8.546   6.957  -5.110
  220   2HA   GLY  29          HA3       GLY  29  -9.652   5.684  -5.660
  221    H    LEU  30           H        LEU  30  -6.178   5.631  -6.338
  222    HA   LEU  30           HA       LEU  30  -5.840   3.046  -4.969
  223   1HB   LEU  30          HB2       LEU  30  -4.354   4.717  -6.951
  224   2HB   LEU  30          HB3       LEU  30  -3.321   3.846  -5.835
  225    HG   LEU  30           HG       LEU  30  -5.590   2.413  -7.231
  226   1HD1  LEU  30          HD11      LEU  30  -4.091   1.754  -9.054
  227   2HD1  LEU  30          HD12      LEU  30  -4.339   3.501  -9.032
  228   3HD1  LEU  30          HD13      LEU  30  -2.815   2.825  -8.409
  229   1HD2  LEU  30          HD21      LEU  30  -2.875   1.485  -6.182
  230   2HD2  LEU  30          HD22      LEU  30  -4.441   1.239  -5.380
  231   3HD2  LEU  30          HD23      LEU  30  -4.110   0.447  -6.918
  232    H    ASN  31           H        ASN  31  -3.952   2.799  -3.498
  233    HA   ASN  31           HA       ASN  31  -3.311   5.202  -1.873
  234   1HB   ASN  31          HB2       ASN  31  -5.033   4.018  -0.598
  235   2HB   ASN  31          HB3       ASN  31  -4.186   2.481  -0.810
  236   1HD2  ASN  31          HD22      ASN  31  -3.804   5.785   0.622
  237   2HD2  ASN  31          HD21      ASN  31  -2.672   5.289   1.847
  238    H    VAL  32           H        VAL  32  -1.186   5.442  -2.120
  239    HA   VAL  32           HA       VAL  32   0.660   3.164  -2.029
  240    HB   VAL  32           HB       VAL  32   1.834   3.986  -4.066
  241   1HG1  VAL  32          HG11      VAL  32   0.513   2.937  -5.719
  242   2HG1  VAL  32          HG12      VAL  32   0.254   2.053  -4.211
  243   3HG1  VAL  32          HG13      VAL  32  -0.995   3.171  -4.807
  244   1HG2  VAL  32          HG21      VAL  32   0.870   6.301  -4.190
  245   2HG2  VAL  32          HG22      VAL  32   0.784   5.409  -5.708
  246   3HG2  VAL  32          HG23      VAL  32  -0.677   5.597  -4.719
  247    H    ASN  33           H        ASN  33   2.930   4.054  -2.004
  248    HA   ASN  33           HA       ASN  33   3.144   6.958  -1.587
  249   1HB   ASN  33          HB2       ASN  33   3.851   5.843   0.566
  250   2HB   ASN  33          HB3       ASN  33   4.962   4.828  -0.365
  251   1HD2  ASN  33          HD22      ASN  33   6.951   5.605   0.438
  252   2HD2  ASN  33          HD21      ASN  33   7.441   7.286   0.280
  253    H    VAL  34           H        VAL  34   4.902   7.757  -2.879
  254    HA   VAL  34           HA       VAL  34   6.403   5.797  -4.370
  255    HB   VAL  34           HB       VAL  34   6.145   6.720  -6.544
  256   1HG1  VAL  34          HG11      VAL  34   4.379   5.037  -5.808
  257   2HG1  VAL  34          HG12      VAL  34   3.288   6.404  -5.534
  258   3HG1  VAL  34          HG13      VAL  34   3.933   6.080  -7.156
  259   1HG2  VAL  34          HG21      VAL  34   5.789   9.063  -6.032
  260   2HG2  VAL  34          HG22      VAL  34   4.496   8.483  -7.093
  261   3HG2  VAL  34          HG23      VAL  34   4.181   8.713  -5.355
  262    H    ARG  35           H        ARG  35   8.424   6.559  -5.045
  263    HA   ARG  35           HA       ARG  35   9.384   9.123  -3.900
  264   1HB   ARG  35          HB2       ARG  35  10.837   6.443  -3.986
  265   2HB   ARG  35          HB3       ARG  35  11.380   7.883  -3.152
  266   1HG   ARG  35          HG2       ARG  35   8.927   6.254  -2.297
  267   2HG   ARG  35          HG3       ARG  35  10.553   5.914  -1.775
  268   1HD   ARG  35          HD2       ARG  35   9.547   7.162  -0.044
  269   2HD   ARG  35          HD3       ARG  35  10.733   8.228  -0.823
  270    HE   ARG  35           HE       ARG  35   8.119   8.514  -2.013
  271   1HH1  ARG  35          HH22      ARG  35   9.967   9.604   0.825
  272   2HH1  ARG  35          HH21      ARG  35   8.985  10.997   1.073
  273   1HH2  ARG  35          HH11      ARG  35   6.824  10.229  -1.667
  274   2HH2  ARG  35          HH12      ARG  35   7.129  11.388  -0.408
  275    H    SER  36           H        SER  36  11.468   9.731  -4.976
  276    HA   SER  36           HA       SER  36  12.009   8.372  -7.525
  277   1HB   SER  36          HB2       SER  36  12.031  11.392  -7.234
  278   2HB   SER  36          HB3       SER  36  12.417  10.456  -8.679
  279    HG   SER  36           HG       SER  36   9.930  10.722  -7.335
  280    H    ALA  37           H        ALA  37  14.205   8.225  -7.969
  281    HA   ALA  37           HA       ALA  37  16.192   9.505  -6.224
  282   1HB   ALA  37          HB1       ALA  37  17.002   7.387  -5.308
  283   2HB   ALA  37          HB2       ALA  37  15.305   7.569  -4.875
  284   3HB   ALA  37          HB3       ALA  37  15.757   6.479  -6.205
  285    H    GLY  38           H        GLY  38  18.362   8.246  -6.725
  286   1HA   GLY  38          HA2       GLY  38  18.521   7.077  -9.395
  287   2HA   GLY  38          HA3       GLY  38  19.450   8.561  -9.191
  288    H    VAL  39           H        VAL  39  20.396   5.754  -9.582
  289    HA   VAL  39           HA       VAL  39  21.472   4.723  -7.152
  290    HB   VAL  39           HB       VAL  39  23.149   3.614  -8.752
  291   1HG1  VAL  39          HG11      VAL  39  21.159   2.464  -7.965
  292   2HG1  VAL  39          HG12      VAL  39  20.169   3.229  -9.235
  293   3HG1  VAL  39          HG13      VAL  39  21.463   2.092  -9.674
  294   1HG2  VAL  39          HG21      VAL  39  22.952   5.287 -10.600
  295   2HG2  VAL  39          HG22      VAL  39  22.661   3.623 -11.133
  296   3HG2  VAL  39          HG23      VAL  39  21.295   4.715 -10.925
  297    H    PHE  40           H        PHE  40  22.453   7.462  -9.106
  298    HA   PHE  40           HA       PHE  40  24.394   8.098  -7.016
  299   1HB   PHE  40          HB2       PHE  40  26.160   8.737  -8.643
  300   2HB   PHE  40          HB3       PHE  40  25.882   7.032  -8.421
  301    HD1  PHE  40           HD1      PHE  40  25.405   5.548 -10.194
  302    HD2  PHE  40           HD2      PHE  40  25.423   9.821 -10.854
  303    HE1  PHE  40           HE1      PHE  40  25.709   5.184 -12.628
  304    HE2  PHE  40           HE2      PHE  40  25.625   9.440 -13.294
  305    HZ   PHE  40           HZ       PHE  40  25.809   7.123 -14.184
  306    H    ALA  41           H        ALA  41  21.848   9.036  -7.317
  307    HA   ALA  41           HA       ALA  41  21.894  11.747  -8.454
  308   1HB   ALA  41          HB1       ALA  41  19.744  11.967  -7.228
  309   2HB   ALA  41          HB2       ALA  41  19.757  10.524  -8.242
  310   3HB   ALA  41          HB3       ALA  41  20.001  10.374  -6.492
  311    H    SER  42           H        SER  42  21.301  13.506  -6.731
  312    HA   SER  42           HA       SER  42  23.060  13.279  -4.366
  313   1HB   SER  42          HB2       SER  42  22.933  15.640  -6.271
  314   2HB   SER  42          HB3       SER  42  23.927  15.517  -4.808
  315    HG   SER  42           HG       SER  42  25.096  15.020  -6.726
  316    HA   PRO  43           HA       PRO  43  19.450  14.730  -2.226
  317   1HB   PRO  43          HB2       PRO  43  21.465  16.150  -0.488
  318   2HB   PRO  43          HB3       PRO  43  19.993  15.238  -0.006
  319   1HG   PRO  43          HG2       PRO  43  22.330  13.950   0.091
  320   2HG   PRO  43          HG3       PRO  43  20.954  13.164  -0.782
  321   1HD   PRO  43          HD2       PRO  43  23.216  14.802  -1.986
  322   2HD   PRO  43          HD3       PRO  43  22.654  13.158  -2.409
  323    H    ASN  44           H        ASN  44  21.057  16.933  -4.135
  324    HA   ASN  44           HA       ASN  44  19.029  18.998  -3.623
  325   1HB   ASN  44          HB2       ASN  44  21.059  19.649  -2.300
  326   2HB   ASN  44          HB3       ASN  44  21.978  19.699  -3.810
  327   1HD2  ASN  44          HD22      ASN  44  22.360  21.931  -4.057
  328   2HD2  ASN  44          HD21      ASN  44  21.104  23.140  -4.054
  329    H    GLY  45           H        GLY  45  19.714  16.879  -5.711
  330   1HA   GLY  45          HA2       GLY  45  19.870  18.523  -8.181
  331   2HA   GLY  45          HA3       GLY  45  19.533  16.779  -8.062
  332    H    LYS  46           H        LYS  46  17.801  18.988  -9.325
  333    HA   LYS  46           HA       LYS  46  15.324  18.270  -7.953
  334   1HB   LYS  46          HB2       LYS  46  14.600  20.554  -7.519
  335   2HB   LYS  46          HB3       LYS  46  16.056  20.175  -6.608
  336   1HG   LYS  46          HG2       LYS  46  17.421  21.437  -8.282
  337   2HG   LYS  46          HG3       LYS  46  15.941  21.810  -9.189
  338   1HD   LYS  46          HD2       LYS  46  15.030  22.982  -7.182
  339   2HD   LYS  46          HD3       LYS  46  16.552  22.650  -6.321
  340   1HE   LYS  46          HE2       LYS  46  17.801  23.898  -8.078
  341   2HE   LYS  46          HE3       LYS  46  16.283  24.226  -8.925
  342   1HZ   LYS  46          HZ1       LYS  46  15.553  25.494  -6.987
  343   2HZ   LYS  46          HZ2       LYS  46  16.957  25.191  -6.203
  344   3HZ   LYS  46          HZ3       LYS  46  16.954  26.094  -7.557
  345    H    ALA  47           H        ALA  47  13.448  19.031  -9.065
  346    HA   ALA  47           HA       ALA  47  13.306  18.100 -11.593
  347   1HB   ALA  47          HB1       ALA  47  11.402  18.566 -10.150
  348   2HB   ALA  47          HB2       ALA  47  11.578  20.318 -10.435
  349   3HB   ALA  47          HB3       ALA  47  11.140  19.236 -11.778
  350    H    THR  48           H        THR  48  13.611  18.802 -13.728
  351    HA   THR  48           HA       THR  48  15.376  21.016 -14.083
  352    HB   THR  48           HB       THR  48  15.481  20.339 -16.373
  353    HG1  THR  48           HG1      THR  48  13.982  19.005 -17.310
  354   1HG2  THR  48          HG21      THR  48  16.368  18.683 -14.663
  355   2HG2  THR  48          HG22      THR  48  14.870  17.749 -14.917
  356   3HG2  THR  48          HG23      THR  48  15.995  18.018 -16.264
  357    HA   PRO  49           HA       PRO  49  12.532  24.272 -14.930
  358   1HB   PRO  49          HB2       PRO  49  13.634  25.685 -17.041
  359   2HB   PRO  49          HB3       PRO  49  14.239  25.720 -15.359
  360   1HG   PRO  49          HG2       PRO  49  15.227  24.012 -17.661
  361   2HG   PRO  49          HG3       PRO  49  16.196  25.004 -16.521
  362   1HD   PRO  49          HD2       PRO  49  15.903  22.357 -16.144
  363   2HD   PRO  49          HD3       PRO  49  15.841  23.467 -14.747
  364    H    HIS  50           H        HIS  50  12.826  21.713 -17.190
  365    HA   HIS  50           HA       HIS  50  10.428  22.712 -18.615
  366   1HB   HIS  50          HB2       HIS  50  12.616  20.894 -19.623
  367   2HB   HIS  50          HB3       HIS  50  11.065  21.119 -20.438
  368    HD1  HIS  50           HD1      HIS  50  13.800  21.880 -21.902
  369    HD2  HIS  50           HD2      HIS  50  11.190  24.482 -19.842
  370    HE1  HIS  50           HE1      HIS  50  14.234  24.209 -22.807
  371    H    ALA  51           H        ALA  51  11.828  19.885 -16.904
  372    HA   ALA  51           HA       ALA  51   9.490  18.283 -17.217
  373   1HB   ALA  51          HB1       ALA  51  11.520  18.431 -14.934
  374   2HB   ALA  51          HB2       ALA  51  10.301  17.160 -15.125
  375   3HB   ALA  51          HB3       ALA  51  11.587  17.339 -16.328
  376    H    VAL  52           H        VAL  52  10.487  20.652 -14.754
  377    HA   VAL  52           HA       VAL  52   8.180  20.380 -13.178
  378    HB   VAL  52           HB       VAL  52  10.566  21.417 -12.798
  379   1HG1  VAL  52          HG11      VAL  52  10.368  23.307 -14.368
  380   2HG1  VAL  52          HG12      VAL  52   9.091  23.998 -13.321
  381   3HG1  VAL  52          HG13      VAL  52  10.752  23.788 -12.713
  382   1HG2  VAL  52          HG21      VAL  52   9.061  21.042 -11.017
  383   2HG2  VAL  52          HG22      VAL  52   9.788  22.637 -10.816
  384   3HG2  VAL  52          HG23      VAL  52   8.118  22.501 -11.424
  385    H    GLU  53           H        GLU  53   8.959  22.501 -15.899
  386    HA   GLU  53           HA       GLU  53   6.580  24.034 -15.698
  387   1HB   GLU  53          HB2       GLU  53   8.595  24.832 -16.812
  388   2HB   GLU  53          HB3       GLU  53   8.428  23.601 -18.074
  389   1HG   GLU  53          HG2       GLU  53   6.387  24.632 -18.893
  390   2HG   GLU  53          HG3       GLU  53   6.311  25.711 -17.496
  391    H    ALA  54           H        ALA  54   7.410  21.067 -17.480
  392    HA   ALA  54           HA       ALA  54   5.027  20.883 -18.986
  393   1HB   ALA  54          HB1       ALA  54   7.043  19.539 -19.496
  394   2HB   ALA  54          HB2       ALA  54   6.846  18.646 -17.974
  395   3HB   ALA  54          HB3       ALA  54   5.638  18.494 -19.262
  396    H    LEU  55           H        LEU  55   5.840  19.692 -15.717
  397    HA   LEU  55           HA       LEU  55   3.142  18.571 -15.438
  398   1HB   LEU  55          HB2       LEU  55   5.529  18.798 -13.648
  399   2HB   LEU  55          HB3       LEU  55   3.951  18.383 -12.961
  400    HG   LEU  55           HG       LEU  55   5.434  16.436 -13.418
  401   1HD1  LEU  55          HD11      LEU  55   2.830  16.343 -14.973
  402   2HD1  LEU  55          HD12      LEU  55   3.740  14.975 -14.308
  403   3HD1  LEU  55          HD13      LEU  55   3.017  16.142 -13.205
  404   1HD2  LEU  55          HD21      LEU  55   6.448  17.106 -15.570
  405   2HD2  LEU  55          HD22      LEU  55   5.694  15.510 -15.647
  406   3HD2  LEU  55          HD23      LEU  55   4.874  16.901 -16.373
  407    H    PHE  56           H        PHE  56   4.615  21.705 -14.704
  408    HA   PHE  56           HA       PHE  56   2.372  22.599 -13.106
  409   1HB   PHE  56          HB2       PHE  56   4.704  23.898 -14.435
  410   2HB   PHE  56          HB3       PHE  56   3.267  24.887 -14.306
  411    HD1  PHE  56           HD1      PHE  56   6.128  23.671 -12.471
  412    HD2  PHE  56           HD2      PHE  56   2.081  25.101 -12.040
  413    HE1  PHE  56           HE1      PHE  56   6.555  24.160 -10.085
  414    HE2  PHE  56           HE2      PHE  56   2.516  25.602  -9.657
  415    HZ   PHE  56           HZ       PHE  56   4.761  25.149  -8.670
  416    H    GLU  57           H        GLU  57   3.054  22.602 -16.650
  417    HA   GLU  57           HA       GLU  57   0.545  23.787 -17.355
  418   1HB   GLU  57          HB2       GLU  57   2.537  23.642 -18.826
  419   2HB   GLU  57          HB3       GLU  57   2.326  21.892 -18.933
  420   1HG   GLU  57          HG2       GLU  57   0.089  22.246 -19.986
  421   2HG   GLU  57          HG3       GLU  57   0.310  23.996 -19.849
  422    H    LYS  58           H        LYS  58   1.528  20.359 -16.788
  423    HA   LYS  58           HA       LYS  58  -1.071  19.252 -17.291
  424   1HB   LYS  58          HB2       LYS  58   1.186  18.034 -17.058
  425   2HB   LYS  58          HB3       LYS  58   0.996  18.231 -15.316
  426   1HG   LYS  58          HG2       LYS  58   0.355  16.018 -15.904
  427   2HG   LYS  58          HG3       LYS  58  -1.074  16.884 -15.372
  428   1HD   LYS  58          HD2       LYS  58  -1.698  15.506 -17.170
  429   2HD   LYS  58          HD3       LYS  58  -1.716  17.152 -17.815
  430   1HE   LYS  58          HE2       LYS  58   0.445  16.792 -18.908
  431   2HE   LYS  58          HE3       LYS  58   0.664  15.247 -18.070
  432   1HZ   LYS  58          HZ1       LYS  58  -0.154  14.945 -20.370
  433   2HZ   LYS  58          HZ2       LYS  58  -1.206  14.343 -19.278
  434   3HZ   LYS  58          HZ3       LYS  58  -1.517  15.775 -20.022
  435    H    HIS  59           H        HIS  59  -0.026  21.346 -14.811
  436    HA   HIS  59           HA       HIS  59  -0.946  22.257 -13.019
  437   1HB   HIS  59          HB2       HIS  59  -3.573  20.924 -13.725
  438   2HB   HIS  59          HB3       HIS  59  -3.321  22.257 -12.607
  439    HD1  HIS  59           HD1      HIS  59  -4.606  21.911 -15.914
  440    HD2  HIS  59           HD2      HIS  59  -1.731  24.389 -14.089
  441    HE1  HIS  59           HE1      HIS  59  -4.403  23.975 -17.387
  442    H    ILE  60           H        ILE  60   0.674  20.251 -12.587
  443    HA   ILE  60           HA       ILE  60  -0.464  18.814 -10.232
  444    HB   ILE  60           HB       ILE  60   1.605  17.922 -12.254
  445   1HG1  ILE  60          HG12      ILE  60  -1.105  16.750 -11.445
  446   2HG1  ILE  60          HG13      ILE  60  -0.819  17.704 -12.895
  447   1HG2  ILE  60          HG21      ILE  60   1.727  15.802 -10.912
  448   2HG2  ILE  60          HG22      ILE  60   2.371  17.181 -10.044
  449   3HG2  ILE  60          HG23      ILE  60   0.748  16.570  -9.654
  450   1HD1  ILE  60          HD11      ILE  60   0.767  16.021 -13.725
  451   2HD1  ILE  60          HD12      ILE  60   0.389  14.964 -12.366
  452   3HD1  ILE  60          HD13      ILE  60  -0.881  15.390 -13.511
  453    H    ALA  61           H        ALA  61   1.916  21.093 -11.354
  454    HA   ALA  61           HA       ALA  61   3.518  22.283 -10.320
  455   1HB   ALA  61          HB1       ALA  61   1.811  21.810  -7.848
  456   2HB   ALA  61          HB2       ALA  61   3.029  23.079  -8.059
  457   3HB   ALA  61          HB3       ALA  61   1.570  23.079  -9.071
  458    H    LEU  62           H        LEU  62   4.843  20.352 -10.912
  459    HA   LEU  62           HA       LEU  62   5.859  18.496  -8.964
  460   1HB   LEU  62          HB2       LEU  62   5.946  18.535 -11.565
  461   2HB   LEU  62          HB3       LEU  62   7.288  19.642 -11.404
  462    HG   LEU  62           HG       LEU  62   7.103  16.679 -10.725
  463   1HD1  LEU  62          HD11      LEU  62   7.647  17.402 -13.052
  464   2HD1  LEU  62          HD12      LEU  62   9.070  18.256 -12.430
  465   3HD1  LEU  62          HD13      LEU  62   8.949  16.491 -12.283
  466   1HD2  LEU  62          HD21      LEU  62   8.260  17.407  -8.838
  467   2HD2  LEU  62          HD22      LEU  62   9.504  16.870  -9.963
  468   3HD2  LEU  62          HD23      LEU  62   9.209  18.614  -9.775
  469    H    ASN  63           H        ASN  63   7.554  18.892  -7.429
  470    HA   ASN  63           HA       ASN  63   9.341  21.147  -7.851
  471   1HB   ASN  63          HB2       ASN  63   7.043  21.717  -6.362
  472   2HB   ASN  63          HB3       ASN  63   8.213  21.373  -5.102
  473   1HD2  ASN  63          HD22      ASN  63   7.981  23.041  -8.280
  474   2HD2  ASN  63          HD21      ASN  63   8.894  24.473  -7.821
  475    H    HIS  64           H        HIS  64   9.675  18.337  -7.801
  476    HA   HIS  64           HA       HIS  64  10.464  17.276  -5.296
  477   1HB   HIS  64          HB2       HIS  64   9.724  16.057  -7.407
  478   2HB   HIS  64          HB3       HIS  64  11.325  16.407  -8.084
  479    HD1  HIS  64           HD1      HIS  64   9.537  14.002  -5.678
  480    HD2  HIS  64           HD2      HIS  64  13.420  15.030  -6.992
  481    HE1  HIS  64           HE1      HIS  64  11.093  12.250  -4.761
  482    H    VAL  65           H        VAL  65  12.499  16.838  -4.441
  483    HA   VAL  65           HA       VAL  65  14.944  17.901  -5.749
  484    HB   VAL  65           HB       VAL  65  14.328  18.063  -2.769
  485   1HG1  VAL  65          HG11      VAL  65  16.462  19.264  -2.620
  486   2HG1  VAL  65          HG12      VAL  65  16.728  17.664  -3.324
  487   3HG1  VAL  65          HG13      VAL  65  16.709  19.098  -4.371
  488   1HG2  VAL  65          HG21      VAL  65  14.454  20.531  -3.073
  489   2HG2  VAL  65          HG22      VAL  65  14.507  20.301  -4.832
  490   3HG2  VAL  65          HG23      VAL  65  13.065  19.826  -3.908
  491    H    SER  66           H        SER  66  16.095  16.153  -6.213
  492    HA   SER  66           HA       SER  66  15.375  13.497  -5.524
  493   1HB   SER  66          HB2       SER  66  17.948  14.585  -6.740
  494   2HB   SER  66          HB3       SER  66  17.306  12.940  -6.902
  495    HG   SER  66           HG       SER  66  16.831  14.149  -8.701
  496    H    SER  67           H        SER  67  16.944  11.872  -4.741
  497    HA   SER  67           HA       SER  67  19.094  12.608  -2.899
  498   1HB   SER  67          HB2       SER  67  16.681  10.905  -2.084
  499   2HB   SER  67          HB3       SER  67  18.167  11.088  -1.144
  500    HG   SER  67           HG       SER  67  16.478  12.465  -0.425
  501    HA   PRO  68           HA       PRO  68  20.484   8.829  -4.925
  502   1HB   PRO  68          HB2       PRO  68  22.140   7.651  -3.077
  503   2HB   PRO  68          HB3       PRO  68  22.577   9.111  -4.008
  504   1HG   PRO  68          HG2       PRO  68  21.460   8.956  -1.195
  505   2HG   PRO  68          HG3       PRO  68  22.844   9.932  -1.786
  506   1HD   PRO  68          HD2       PRO  68  20.361  10.998  -1.476
  507   2HD   PRO  68          HD3       PRO  68  21.411  11.485  -2.841
  508    H    LEU  69           H        LEU  69  20.039   6.598  -5.016
  509    HA   LEU  69           HA       LEU  69  18.001   5.547  -3.148
  510   1HB   LEU  69          HB2       LEU  69  17.691   5.111  -5.531
  511   2HB   LEU  69          HB3       LEU  69  19.305   4.421  -5.666
  512    HG   LEU  69           HG       LEU  69  18.699   2.495  -4.383
  513   1HD1  LEU  69          HD11      LEU  69  16.309   2.161  -3.567
  514   2HD1  LEU  69          HD12      LEU  69  17.228   3.328  -2.631
  515   3HD1  LEU  69          HD13      LEU  69  16.057   3.899  -3.837
  516   1HD2  LEU  69          HD21      LEU  69  16.416   3.114  -6.295
  517   2HD2  LEU  69          HD22      LEU  69  18.038   2.543  -6.755
  518   3HD2  LEU  69          HD23      LEU  69  16.976   1.504  -5.796
  519    H    THR  70           H        THR  70  18.659   4.658  -1.290
  520    HA   THR  70           HA       THR  70  21.146   3.103  -1.170
  521    HB   THR  70           HB       THR  70  21.273   4.210   1.237
  522    HG1  THR  70           HG1      THR  70  20.572   6.309   1.273
  523   1HG2  THR  70          HG21      THR  70  22.998   4.310  -0.533
  524   2HG2  THR  70          HG22      THR  70  22.154   5.679  -1.290
  525   3HG2  THR  70          HG23      THR  70  22.863   5.851   0.334
  526    H    GLU  71           H        GLU  71  21.156   1.860   1.025
  527    HA   GLU  71           HA       GLU  71  19.236   0.013   0.231
  528   1HB   GLU  71          HB2       GLU  71  21.563  -0.408   1.110
  529   2HB   GLU  71          HB3       GLU  71  20.953  -0.125   2.746
  530   1HG   GLU  71          HG2       GLU  71  19.392  -2.039   2.490
  531   2HG   GLU  71          HG3       GLU  71  19.921  -2.263   0.821
  532    H    GLU  72           H        GLU  72  19.212   2.179   3.029
  533    HA   GLU  72           HA       GLU  72  17.085   0.885   4.400
  534   1HB   GLU  72          HB2       GLU  72  16.872   3.008   5.646
  535   2HB   GLU  72          HB3       GLU  72  18.535   2.428   5.551
  536   1HG   GLU  72          HG2       GLU  72  18.984   4.080   3.715
  537   2HG   GLU  72          HG3       GLU  72  17.336   4.687   3.887
  538    H    LEU  73           H        LEU  73  17.101   3.297   1.807
  539    HA   LEU  73           HA       LEU  73  14.265   3.776   1.907
  540   1HB   LEU  73          HB2       LEU  73  15.854   5.393   0.890
  541   2HB   LEU  73          HB3       LEU  73  16.282   4.185  -0.332
  542    HG   LEU  73           HG       LEU  73  13.991   4.227  -1.201
  543   1HD1  LEU  73          HD11      LEU  73  13.447   6.441   0.791
  544   2HD1  LEU  73          HD12      LEU  73  12.431   6.038  -0.614
  545   3HD1  LEU  73          HD13      LEU  73  12.635   4.855   0.676
  546   1HD2  LEU  73          HD21      LEU  73  15.731   5.692  -2.162
  547   2HD2  LEU  73          HD22      LEU  73  14.118   6.396  -2.312
  548   3HD2  LEU  73          HD23      LEU  73  15.236   6.993  -1.062
  549    H    MET  74           H        MET  74  16.441   1.637   0.102
  550    HA   MET  74           HA       MET  74  14.513   0.383  -1.539
  551   1HB   MET  74          HB2       MET  74  16.610  -0.037  -2.263
  552   2HB   MET  74          HB3       MET  74  17.293  -0.152  -0.655
  553   1HG   MET  74          HG2       MET  74  17.505  -2.274  -1.738
  554   2HG   MET  74          HG3       MET  74  16.427  -2.394  -0.362
  555   1HE   MET  74          HE1       MET  74  16.161  -1.466  -4.239
  556   2HE   MET  74          HE2       MET  74  16.879  -3.097  -4.167
  557   3HE   MET  74          HE3       MET  74  15.251  -2.879  -4.824
  558    H    GLU  75           H        GLU  75  15.631  -0.440   1.753
  559    HA   GLU  75           HA       GLU  75  13.969  -2.770   2.026
  560   1HB   GLU  75          HB2       GLU  75  15.383  -0.960   4.020
  561   2HB   GLU  75          HB3       GLU  75  14.383  -2.325   4.529
  562   1HG   GLU  75          HG2       GLU  75  15.751  -3.870   3.176
  563   2HG   GLU  75          HG3       GLU  75  16.822  -2.555   2.716
  564    H    SER  76           H        SER  76  13.444   0.698   2.728
  565    HA   SER  76           HA       SER  76  10.933   0.351   4.072
  566   1HB   SER  76          HB2       SER  76  11.968   2.735   2.478
  567   2HB   SER  76          HB3       SER  76  10.634   2.743   3.641
  568    HG   SER  76           HG       SER  76  13.392   2.221   4.133
  569    H    ALA  77           H        ALA  77  11.821   0.660   0.606
  570    HA   ALA  77           HA       ALA  77   9.071   0.947  -0.214
  571   1HB   ALA  77          HB1       ALA  77  10.848   2.040  -1.408
  572   2HB   ALA  77          HB2       ALA  77  11.572   0.461  -1.850
  573   3HB   ALA  77          HB3       ALA  77   9.974   0.944  -2.479
  574    H    ASP  78           H        ASP  78   8.251  -0.437  -2.063
  575    HA   ASP  78           HA       ASP  78   8.522  -3.328  -1.440
  576   1HB   ASP  78          HB2       ASP  78   6.565  -2.236  -0.340
  577   2HB   ASP  78          HB3       ASP  78   5.986  -1.743  -1.936
  578    H    LEU  79           H        LEU  79   8.410  -0.854  -3.893
  579    HA   LEU  79           HA       LEU  79   8.977  -2.909  -5.910
  580   1HB   LEU  79          HB2       LEU  79   6.469  -2.156  -5.984
  581   2HB   LEU  79          HB3       LEU  79   7.091  -0.583  -6.439
  582    HG   LEU  79           HG       LEU  79   8.231  -1.716  -8.437
  583   1HD1  LEU  79          HD11      LEU  79   7.236  -3.918  -9.123
  584   2HD1  LEU  79          HD12      LEU  79   8.234  -4.051  -7.669
  585   3HD1  LEU  79          HD13      LEU  79   6.465  -4.044  -7.533
  586   1HD2  LEU  79          HD21      LEU  79   6.068  -0.469  -8.618
  587   2HD2  LEU  79          HD22      LEU  79   6.224  -1.786  -9.786
  588   3HD2  LEU  79          HD23      LEU  79   5.203  -1.994  -8.354
  589    H    VAL  80           H        VAL  80  10.392  -2.066  -7.531
  590    HA   VAL  80           HA       VAL  80  11.176   0.777  -7.320
  591    HB   VAL  80           HB       VAL  80  13.099  -1.589  -7.414
  592   1HG1  VAL  80          HG11      VAL  80  13.950   0.313  -8.753
  593   2HG1  VAL  80          HG12      VAL  80  13.675   1.408  -7.385
  594   3HG1  VAL  80          HG13      VAL  80  14.885   0.116  -7.266
  595   1HG2  VAL  80          HG21      VAL  80  13.937  -0.666  -5.234
  596   2HG2  VAL  80          HG22      VAL  80  12.576   0.479  -5.241
  597   3HG2  VAL  80          HG23      VAL  80  12.276  -1.252  -5.127
  598    H    LEU  81           H        LEU  81  11.530   1.681  -9.336
  599    HA   LEU  81           HA       LEU  81  10.950  -0.040 -11.653
  600   1HB   LEU  81          HB2       LEU  81   9.078   1.566 -10.314
  601   2HB   LEU  81          HB3       LEU  81   9.531   2.521 -11.717
  602    HG   LEU  81           HG       LEU  81   8.710  -0.440 -11.888
  603   1HD1  LEU  81          HD11      LEU  81   7.063   2.089 -12.267
  604   2HD1  LEU  81          HD12      LEU  81   6.521   0.441 -12.673
  605   3HD1  LEU  81          HD13      LEU  81   6.840   0.878 -10.987
  606   1HD2  LEU  81          HD21      LEU  81  10.024   0.294 -13.782
  607   2HD2  LEU  81          HD22      LEU  81   8.331   0.118 -14.256
  608   3HD2  LEU  81          HD23      LEU  81   9.004   1.740 -13.952
  609    H    ALA  82           H        ALA  82  12.729   0.128 -12.804
  610    HA   ALA  82           HA       ALA  82  14.428   2.509 -12.533
  611   1HB   ALA  82          HB1       ALA  82  16.231   0.975 -13.226
  612   2HB   ALA  82          HB2       ALA  82  15.349   0.313 -11.840
  613   3HB   ALA  82          HB3       ALA  82  15.050  -0.324 -13.476
  614    H    MET  83           H        MET  83  14.870   3.784 -14.222
  615    HA   MET  83           HA       MET  83  13.403   3.550 -16.632
  616   1HB   MET  83          HB2       MET  83  15.662   5.365 -15.754
  617   2HB   MET  83          HB3       MET  83  15.005   5.435 -17.393
  618   1HG   MET  83          HG2       MET  83  13.805   7.053 -16.133
  619   2HG   MET  83          HG3       MET  83  12.732   5.707 -16.495
  620   1HE   MET  83          HE1       MET  83  10.819   5.688 -14.793
  621   2HE   MET  83          HE2       MET  83  10.987   6.477 -13.226
  622   3HE   MET  83          HE3       MET  83  11.317   7.404 -14.708
  623    H    THR  84           H        THR  84  16.468   1.930 -15.928
  624    HA   THR  84           HA       THR  84  16.261   0.883 -18.636
  625    HB   THR  84           HB       THR  84  18.556   1.046 -19.225
  626    HG1  THR  84           HG1      THR  84  19.312   2.719 -17.172
  627   1HG2  THR  84          HG21      THR  84  19.003   3.415 -19.552
  628   2HG2  THR  84          HG22      THR  84  17.311   3.034 -19.912
  629   3HG2  THR  84          HG23      THR  84  17.731   3.852 -18.393
  630    H    HIS  85           H        HIS  85  17.410  -1.126 -18.886
  631    HA   HIS  85           HA       HIS  85  17.325  -2.862 -16.631
  632   1HB   HIS  85          HB2       HIS  85  18.490  -4.446 -18.220
  633   2HB   HIS  85          HB3       HIS  85  16.957  -3.792 -18.780
  634    HD1  HIS  85           HD1      HIS  85  20.756  -3.352 -19.518
  635    HD2  HIS  85           HD2      HIS  85  16.936  -2.480 -21.067
  636    HE1  HIS  85           HE1      HIS  85  21.125  -2.397 -21.838
  637    H    GLN  86           H        GLN  86  19.858  -0.863 -18.082
  638    HA   GLN  86           HA       GLN  86  22.018  -2.046 -16.647
  639   1HB   GLN  86          HB2       GLN  86  22.407  -0.639 -18.623
  640   2HB   GLN  86          HB3       GLN  86  21.704   0.756 -17.803
  641   1HG   GLN  86          HG2       GLN  86  24.128   0.917 -17.811
  642   2HG   GLN  86          HG3       GLN  86  23.550   0.762 -16.162
  643   1HE2  GLN  86          HE22      GLN  86  23.863  -1.366 -15.047
  644   2HE2  GLN  86          HE21      GLN  86  25.151  -2.418 -15.599
  645    H    HIS  87           H        HIS  87  19.827   0.702 -15.914
  646    HA   HIS  87           HA       HIS  87  21.032   1.289 -13.405
  647   1HB   HIS  87          HB2       HIS  87  18.146   1.737 -14.217
  648   2HB   HIS  87          HB3       HIS  87  18.992   2.528 -12.889
  649    HD1  HIS  87           HD1      HIS  87  17.695   4.246 -15.222
  650    HD2  HIS  87           HD2      HIS  87  21.668   2.862 -15.159
  651    HE1  HIS  87           HE1      HIS  87  19.005   5.714 -16.848
  652    H    LYS  88           H        LYS  88  18.400  -0.949 -14.301
  653    HA   LYS  88           HA       LYS  88  17.783  -1.848 -11.691
  654   1HB   LYS  88          HB2       LYS  88  16.359  -2.381 -13.535
  655   2HB   LYS  88          HB3       LYS  88  17.641  -3.239 -14.385
  656   1HG   LYS  88          HG2       LYS  88  17.578  -5.090 -12.913
  657   2HG   LYS  88          HG3       LYS  88  16.618  -4.228 -11.701
  658   1HD   LYS  88          HD2       LYS  88  14.661  -4.224 -13.134
  659   2HD   LYS  88          HD3       LYS  88  15.591  -4.784 -14.531
  660   1HE   LYS  88          HE2       LYS  88  15.923  -6.956 -13.599
  661   2HE   LYS  88          HE3       LYS  88  15.341  -6.455 -12.002
  662   1HZ   LYS  88          HZ1       LYS  88  13.171  -6.408 -12.729
  663   2HZ   LYS  88          HZ2       LYS  88  13.531  -6.403 -14.352
  664   3HZ   LYS  88          HZ3       LYS  88  13.750  -7.749 -13.451
  665    H    GLN  89           H        GLN  89  20.308  -2.990 -13.933
  666    HA   GLN  89           HA       GLN  89  21.278  -4.956 -12.079
  667   1HB   GLN  89          HB2       GLN  89  22.444  -3.703 -14.590
  668   2HB   GLN  89          HB3       GLN  89  23.325  -4.917 -13.652
  669   1HG   GLN  89          HG2       GLN  89  21.649  -6.592 -14.001
  670   2HG   GLN  89          HG3       GLN  89  20.492  -5.429 -14.644
  671   1HE2  GLN  89          HE22      GLN  89  20.861  -4.481 -16.726
  672   2HE2  GLN  89          HE21      GLN  89  21.853  -5.314 -17.926
  673    H    ILE  90           H        ILE  90  22.099  -1.496 -12.509
  674    HA   ILE  90           HA       ILE  90  24.364  -1.642 -10.757
  675    HB   ILE  90           HB       ILE  90  22.575   0.723 -11.418
  676   1HG1  ILE  90          HG12      ILE  90  25.444   0.210 -12.333
  677   2HG1  ILE  90          HG13      ILE  90  24.070  -0.345 -13.261
  678   1HG2  ILE  90          HG21      ILE  90  23.685   1.121  -9.232
  679   2HG2  ILE  90          HG22      ILE  90  25.249   0.660  -9.927
  680   3HG2  ILE  90          HG23      ILE  90  24.427   2.137 -10.458
  681   1HD1  ILE  90          HD11      ILE  90  24.714   2.556 -12.613
  682   2HD1  ILE  90          HD12      ILE  90  24.774   1.755 -14.188
  683   3HD1  ILE  90          HD13      ILE  90  23.211   2.014 -13.386
  684    H    ILE  91           H        ILE  91  20.884  -1.069 -10.201
  685    HA   ILE  91           HA       ILE  91  21.016  -0.656  -7.408
  686    HB   ILE  91           HB       ILE  91  18.837  -1.865  -9.150
  687   1HG1  ILE  91          HG12      ILE  91  18.990   0.898  -7.885
  688   2HG1  ILE  91          HG13      ILE  91  19.628   0.583  -9.477
  689   1HG2  ILE  91          HG21      ILE  91  18.589  -0.883  -6.284
  690   2HG2  ILE  91          HG22      ILE  91  17.249  -1.408  -7.319
  691   3HG2  ILE  91          HG23      ILE  91  18.456  -2.580  -6.807
  692   1HD1  ILE  91          HD11      ILE  91  17.460   1.493  -9.768
  693   2HD1  ILE  91          HD12      ILE  91  17.391  -0.211 -10.239
  694   3HD1  ILE  91          HD13      ILE  91  16.725   0.302  -8.675
  695    H    ALA  92           H        ALA  92  20.675  -3.665  -9.289
  696    HA   ALA  92           HA       ALA  92  20.742  -5.445  -7.099
  697   1HB   ALA  92          HB1       ALA  92  21.816  -5.881  -9.929
  698   2HB   ALA  92          HB2       ALA  92  21.396  -7.149  -8.783
  699   3HB   ALA  92          HB3       ALA  92  20.125  -6.085  -9.431
  700    H    SER  93           H        SER  93  23.426  -4.013  -8.952
  701    HA   SER  93           HA       SER  93  25.476  -5.557  -7.722
  702   1HB   SER  93          HB2       SER  93  25.668  -2.809  -9.026
  703   2HB   SER  93          HB3       SER  93  27.016  -3.907  -8.694
  704    HG   SER  93           HG       SER  93  24.807  -4.344 -10.443
  705    H    GLN  94           H        GLN  94  23.984  -2.447  -6.763
  706    HA   GLN  94           HA       GLN  94  26.012  -2.075  -4.687
  707   1HB   GLN  94          HB2       GLN  94  24.826  -0.085  -4.043
  708   2HB   GLN  94          HB3       GLN  94  25.181  -0.112  -5.770
  709   1HG   GLN  94          HG2       GLN  94  22.853  -0.579  -6.287
  710   2HG   GLN  94          HG3       GLN  94  22.460  -0.782  -4.587
  711   1HE2  GLN  94          HE22      GLN  94  21.249   0.918  -3.939
  712   2HE2  GLN  94          HE21      GLN  94  21.601   2.607  -4.226
  713    H    PHE  95           H        PHE  95  22.712  -3.380  -4.843
  714    HA   PHE  95           HA       PHE  95  22.662  -3.567  -1.881
  715   1HB   PHE  95          HB2       PHE  95  20.540  -3.984  -3.990
  716   2HB   PHE  95          HB3       PHE  95  20.267  -4.102  -2.255
  717    HD1  PHE  95           HD1      PHE  95  18.923  -2.309  -4.359
  718    HD2  PHE  95           HD2      PHE  95  22.048  -1.543  -1.472
  719    HE1  PHE  95           HE1      PHE  95  18.140   0.030  -4.098
  720    HE2  PHE  95           HE2      PHE  95  21.320   0.754  -1.288
  721    HZ   PHE  95           HZ       PHE  95  19.280   1.545  -2.489
  722    H    GLY  96           H        GLY  96  23.818  -5.671  -4.208
  723   1HA   GLY  96          HA2       GLY  96  24.586  -7.825  -3.786
  724   2HA   GLY  96          HA3       GLY  96  23.754  -7.831  -2.223
  725    H    ARG  97           H        ARG  97  22.724  -7.386  -5.594
  726    HA   ARG  97           HA       ARG  97  20.956  -7.995  -6.749
  727   1HB   ARG  97          HB2       ARG  97  22.554  -9.999  -6.850
  728   2HB   ARG  97          HB3       ARG  97  21.375 -10.849  -5.845
  729   1HG   ARG  97          HG2       ARG  97  19.620 -10.400  -7.611
  730   2HG   ARG  97          HG3       ARG  97  20.825  -9.510  -8.546
  731   1HD   ARG  97          HD2       ARG  97  20.599 -11.668  -9.514
  732   2HD   ARG  97          HD3       ARG  97  22.189 -11.582  -8.733
  733    HE   ARG  97           HE       ARG  97  20.171 -12.674  -6.970
  734   1HH1  ARG  97          HH21      ARG  97  22.276 -13.570  -9.685
  735   2HH1  ARG  97          HH22      ARG  97  22.302 -15.250  -9.298
  736   1HH2  ARG  97          HH11      ARG  97  20.216 -14.912  -6.443
  737   2HH2  ARG  97          HH12      ARG  97  21.101 -16.025  -7.411
  738    H    TYR  98           H        TYR  98  20.073  -6.796  -4.541
  739    HA   TYR  98           HA       TYR  98  17.624  -8.142  -3.685
  740   1HB   TYR  98          HB2       TYR  98  18.984  -6.183  -2.565
  741   2HB   TYR  98          HB3       TYR  98  18.050  -5.149  -3.630
  742    HD1  TYR  98           HD1      TYR  98  15.480  -7.277  -3.147
  743    HD2  TYR  98           HD2      TYR  98  18.130  -4.885  -0.709
  744    HE1  TYR  98           HE1      TYR  98  13.751  -7.137  -1.406
  745    HE2  TYR  98           HE2      TYR  98  16.385  -4.720   1.026
  746    HH   TYR  98           HH       TYR  98  14.218  -5.353   1.671
  747    H    ARG  99           H        ARG  99  18.227  -8.186  -6.550
  748    HA   ARG  99           HA       ARG  99  16.983  -6.185  -8.099
  749   1HB   ARG  99          HB2       ARG  99  18.770  -7.928  -8.675
  750   2HB   ARG  99          HB3       ARG  99  17.480  -9.125  -8.767
  751   1HG   ARG  99          HG2       ARG  99  16.457  -7.851 -10.653
  752   2HG   ARG  99          HG3       ARG  99  17.713  -6.611 -10.483
  753   1HD   ARG  99          HD2       ARG  99  18.363  -8.059 -12.295
  754   2HD   ARG  99          HD3       ARG  99  19.451  -8.378 -10.931
  755    HE   ARG  99           HE       ARG  99  17.137 -10.141 -11.002
  756   1HH1  ARG  99          HH21      ARG  99  20.380  -9.681 -12.376
  757   2HH1  ARG  99          HH22      ARG  99  20.623 -11.350 -12.723
  758   1HH2  ARG  99          HH11      ARG  99  17.471 -12.371 -11.443
  759   2HH2  ARG  99          HH12      ARG  99  18.928 -12.910 -12.183
  760    H    ASP 100           H        ASP 100  15.573  -8.842  -6.320
  761    HA   ASP 100           HA       ASP 100  13.572  -9.740  -7.973
  762   1HB   ASP 100          HB2       ASP 100  14.182 -10.803  -5.868
  763   2HB   ASP 100          HB3       ASP 100  13.540  -9.437  -4.951
  764    H    LYS 101           H        LYS 101  13.369  -6.828  -5.845
  765    HA   LYS 101           HA       LYS 101  10.576  -6.486  -6.684
  766   1HB   LYS 101          HB2       LYS 101  10.307  -4.864  -5.054
  767   2HB   LYS 101          HB3       LYS 101  11.266  -6.134  -4.304
  768   1HG   LYS 101          HG2       LYS 101  13.318  -4.729  -4.577
  769   2HG   LYS 101          HG3       LYS 101  12.361  -3.504  -5.407
  770   1HD   LYS 101          HD2       LYS 101  12.552  -2.679  -3.219
  771   2HD   LYS 101          HD3       LYS 101  10.916  -3.333  -3.286
  772   1HE   LYS 101          HE2       LYS 101  11.667  -5.394  -2.145
  773   2HE   LYS 101          HE3       LYS 101  13.348  -4.840  -2.236
  774   1HZ   LYS 101          HZ1       LYS 101  11.235  -3.494  -0.633
  775   2HZ   LYS 101          HZ2       LYS 101  12.445  -4.457  -0.057
  776   3HZ   LYS 101          HZ3       LYS 101  12.777  -3.011  -0.756
  777    H    VAL 102           H        VAL 102  13.381  -5.807  -8.284
  778    HA   VAL 102           HA       VAL 102  12.617  -3.082  -9.076
  779    HB   VAL 102           HB       VAL 102  15.007  -4.649 -10.086
  780   1HG1  VAL 102          HG11      VAL 102  14.375  -1.665  -9.861
  781   2HG1  VAL 102          HG12      VAL 102  15.912  -2.326 -10.434
  782   3HG1  VAL 102          HG13      VAL 102  14.433  -2.609 -11.358
  783   1HG2  VAL 102          HG21      VAL 102  15.086  -2.783  -7.685
  784   2HG2  VAL 102          HG22      VAL 102  15.266  -4.549  -7.611
  785   3HG2  VAL 102          HG23      VAL 102  16.453  -3.586  -8.498
  786    H    PHE 103           H        PHE 103  11.714  -2.679 -11.070
  787    HA   PHE 103           HA       PHE 103  11.840  -4.753 -13.173
  788   1HB   PHE 103          HB2       PHE 103   9.383  -3.147 -12.382
  789   2HB   PHE 103          HB3       PHE 103   9.563  -4.070 -13.874
  790    HD1  PHE 103           HD1      PHE 103   9.362  -4.392 -10.156
  791    HD2  PHE 103           HD2      PHE 103   9.213  -6.443 -13.951
  792    HE1  PHE 103           HE1      PHE 103   8.527  -6.435  -9.022
  793    HE2  PHE 103           HE2      PHE 103   8.373  -8.479 -12.812
  794    HZ   PHE 103           HZ       PHE 103   8.029  -8.483 -10.348
  795    H    THR 104           H        THR 104  12.061  -3.846 -15.226
  796    HA   THR 104           HA       THR 104  13.081  -1.120 -15.260
  797    HB   THR 104           HB       THR 104  12.577  -2.713 -17.773
  798    HG1  THR 104           HG1      THR 104  13.551  -4.206 -16.246
  799   1HG2  THR 104          HG21      THR 104  14.821  -0.951 -16.767
  800   2HG2  THR 104          HG22      THR 104  14.800  -1.761 -18.360
  801   3HG2  THR 104          HG23      THR 104  13.609  -0.503 -17.988
  802    H    LEU 105           H        LEU 105  12.181   0.570 -16.600
  803    HA   LEU 105           HA       LEU 105   9.569   1.039 -15.992
  804   1HB   LEU 105          HB2       LEU 105  11.251   2.749 -16.516
  805   2HB   LEU 105          HB3       LEU 105  11.082   2.380 -18.239
  806    HG   LEU 105           HG       LEU 105   8.724   3.093 -18.175
  807   1HD1  LEU 105          HD11      LEU 105   7.842   4.319 -16.143
  808   2HD1  LEU 105          HD12      LEU 105   8.003   2.587 -15.895
  809   3HD1  LEU 105          HD13      LEU 105   9.222   3.699 -15.219
  810   1HD2  LEU 105          HD21      LEU 105  10.453   4.751 -18.649
  811   2HD2  LEU 105          HD22      LEU 105   9.101   5.502 -17.781
  812   3HD2  LEU 105          HD23      LEU 105  10.609   5.114 -16.921
  813    H    LYS 106           H        LYS 106  10.621  -0.011 -19.306
  814    HA   LYS 106           HA       LYS 106   7.785  -0.394 -19.982
  815   1HB   LYS 106          HB2       LYS 106  10.325  -1.218 -21.422
  816   2HB   LYS 106          HB3       LYS 106   8.715  -1.560 -22.027
  817   1HG   LYS 106          HG2       LYS 106   9.636   1.280 -21.408
  818   2HG   LYS 106          HG3       LYS 106   9.850   0.516 -22.986
  819   1HD   LYS 106          HD2       LYS 106   7.463   0.280 -23.309
  820   2HD   LYS 106          HD3       LYS 106   7.128   0.770 -21.654
  821   1HE   LYS 106          HE2       LYS 106   6.590   2.602 -23.068
  822   2HE   LYS 106          HE3       LYS 106   7.999   3.042 -22.106
  823   1HZ   LYS 106          HZ1       LYS 106   8.166   2.107 -24.916
  824   2HZ   LYS 106          HZ2       LYS 106   8.072   3.682 -24.475
  825   3HZ   LYS 106          HZ3       LYS 106   9.378   2.800 -24.025
  826    H    GLU 107           H        GLU 107  10.445  -2.504 -18.848
  827    HA   GLU 107           HA       GLU 107   9.374  -4.985 -19.322
  828   1HB   GLU 107          HB2       GLU 107  11.607  -4.612 -18.363
  829   2HB   GLU 107          HB3       GLU 107  10.861  -4.073 -16.854
  830   1HG   GLU 107          HG2       GLU 107   9.893  -6.392 -16.587
  831   2HG   GLU 107          HG3       GLU 107  10.838  -6.878 -18.000
  832    H    TYR 108           H        TYR 108   8.592  -2.915 -16.485
  833    HA   TYR 108           HA       TYR 108   7.003  -4.803 -15.136
  834   1HB   TYR 108          HB2       TYR 108   7.838  -2.645 -14.178
  835   2HB   TYR 108          HB3       TYR 108   6.715  -1.771 -15.199
  836    HD1  TYR 108           HD1      TYR 108   4.745  -1.054 -14.161
  837    HD2  TYR 108           HD2      TYR 108   6.605  -4.691 -12.778
  838    HE1  TYR 108           HE1      TYR 108   2.886  -1.395 -12.545
  839    HE2  TYR 108           HE2      TYR 108   4.746  -5.047 -11.194
  840    HH   TYR 108           HH       TYR 108   2.590  -4.392 -10.636
  841    H    VAL 109           H        VAL 109   6.209  -2.915 -17.980
  842    HA   VAL 109           HA       VAL 109   3.295  -3.391 -17.589
  843    HB   VAL 109           HB       VAL 109   4.673  -1.314 -19.330
  844   1HG1  VAL 109          HG11      VAL 109   2.503  -0.124 -19.133
  845   2HG1  VAL 109          HG12      VAL 109   2.302  -1.714 -19.885
  846   3HG1  VAL 109          HG13      VAL 109   1.857  -1.475 -18.177
  847   1HG2  VAL 109          HG21      VAL 109   5.420  -0.813 -17.086
  848   2HG2  VAL 109          HG22      VAL 109   4.120   0.295 -17.483
  849   3HG2  VAL 109          HG23      VAL 109   3.786  -1.096 -16.430
  850    H    THR 110           H        THR 110   5.842  -3.352 -20.208
  851    HA   THR 110           HA       THR 110   3.955  -4.562 -22.091
  852    HB   THR 110           HB       THR 110   5.789  -4.225 -23.678
  853    HG1  THR 110           HG1      THR 110   7.760  -3.460 -22.970
  854   1HG2  THR 110          HG21      THR 110   5.610  -1.744 -21.886
  855   2HG2  THR 110          HG22      THR 110   5.974  -1.809 -23.621
  856   3HG2  THR 110          HG23      THR 110   4.355  -2.235 -23.045
  857    H    GLY 111           H        GLY 111   6.308  -5.622 -19.795
  858   1HA   GLY 111          HA2       GLY 111   6.956  -7.777 -19.246
  859   2HA   GLY 111          HA3       GLY 111   6.226  -8.406 -20.727
  860    H    SER 112           H        SER 112   8.229  -5.662 -21.455
  861    HA   SER 112           HA       SER 112  10.603  -7.368 -21.976
  862   1HB   SER 112          HB2       SER 112   9.233  -5.501 -23.957
  863   2HB   SER 112          HB3       SER 112  10.709  -6.439 -24.245
  864    HG   SER 112           HG       SER 112   8.831  -7.450 -25.100
  865    H    HIS 113           H        HIS 113  12.564  -6.296 -21.768
  866    HA   HIS 113           HA       HIS 113  12.660  -3.925 -20.227
  867   1HB   HIS 113          HB2       HIS 113  14.826  -5.197 -21.947
  868   2HB   HIS 113          HB3       HIS 113  15.087  -3.938 -20.745
  869    HD1  HIS 113           HD1      HIS 113  14.582  -4.722 -18.074
  870    HD2  HIS 113           HD2      HIS 113  14.858  -7.681 -21.072
  871    HE1  HIS 113           HE1      HIS 113  14.930  -6.927 -16.878
  872    H    GLY 114           H        GLY 114  13.061  -1.772 -20.738
  873   1HA   GLY 114          HA2       GLY 114  13.883  -0.564 -23.058
  874   2HA   GLY 114          HA3       GLY 114  12.143  -0.831 -23.291
  875    H    ASP 115           H        ASP 115  12.591   1.700 -23.260
  876    HA   ASP 115           HA       ASP 115  11.969   2.739 -20.580
  877   1HB   ASP 115          HB2       ASP 115  14.455   2.901 -21.041
  878   2HB   ASP 115          HB3       ASP 115  14.078   3.909 -22.433
  879    H    VAL 116           H        VAL 116  11.287   5.059 -20.810
  880    HA   VAL 116           HA       VAL 116   9.429   5.536 -23.076
  881    HB   VAL 116           HB       VAL 116   9.980   6.788 -20.355
  882   1HG1  VAL 116          HG11      VAL 116   7.813   7.725 -22.257
  883   2HG1  VAL 116          HG12      VAL 116   8.021   8.220 -20.578
  884   3HG1  VAL 116          HG13      VAL 116   9.242   8.654 -21.766
  885   1HG2  VAL 116          HG21      VAL 116   8.737   4.647 -20.319
  886   2HG2  VAL 116          HG22      VAL 116   7.723   5.989 -19.798
  887   3HG2  VAL 116          HG23      VAL 116   7.535   5.330 -21.436
  888    H    LEU 117           H        LEU 117   9.600   7.888 -24.000
  889    HA   LEU 117           HA       LEU 117  12.054   8.605 -25.140
  890   1HB   LEU 117          HB2       LEU 117   9.643   9.432 -25.555
  891   2HB   LEU 117          HB3       LEU 117   9.882  10.522 -24.202
  892    HG   LEU 117           HG       LEU 117  11.350  10.519 -26.876
  893   1HD1  LEU 117          HD11      LEU 117  10.189  12.637 -27.233
  894   2HD1  LEU 117          HD12      LEU 117   9.021  11.358 -26.879
  895   3HD1  LEU 117          HD13      LEU 117   9.455  12.535 -25.619
  896   1HD2  LEU 117          HD21      LEU 117  13.020  11.325 -25.397
  897   2HD2  LEU 117          HD22      LEU 117  12.306  12.725 -26.161
  898   3HD2  LEU 117          HD23      LEU 117  11.847  12.326 -24.492
  899    H    ASP 118           H        ASP 118  13.903   9.508 -24.235
  900    HA   ASP 118           HA       ASP 118  13.881  10.480 -21.429
  901   1HB   ASP 118          HB2       ASP 118  15.640   8.951 -21.800
  902   2HB   ASP 118          HB3       ASP 118  16.119   9.746 -23.306
  903    HA   PRO 119           HA       PRO 119  13.686  14.398 -23.701
  904   1HB   PRO 119          HB2       PRO 119  12.433  15.964 -21.875
  905   2HB   PRO 119          HB3       PRO 119  11.574  14.641 -22.683
  906   1HG   PRO 119          HG2       PRO 119  12.950  14.570 -19.968
  907   2HG   PRO 119          HG3       PRO 119  11.261  14.102 -20.346
  908   1HD   PRO 119          HD2       PRO 119  13.292  12.268 -20.243
  909   2HD   PRO 119          HD3       PRO 119  11.971  12.139 -21.443
  910    H    PHE 120           H        PHE 120  15.746  13.615 -21.066
  911    HA   PHE 120           HA       PHE 120  16.197  15.973 -19.788
  912   1HB   PHE 120          HB2       PHE 120  17.128  13.844 -19.115
  913   2HB   PHE 120          HB3       PHE 120  18.299  13.906 -20.427
  914    HD1  PHE 120           HD1      PHE 120  17.204  15.656 -17.266
  915    HD2  PHE 120           HD2      PHE 120  20.347  15.144 -20.190
  916    HE1  PHE 120           HE1      PHE 120  18.749  16.947 -15.837
  917    HE2  PHE 120           HE2      PHE 120  21.886  16.447 -18.746
  918    HZ   PHE 120           HZ       PHE 120  21.092  17.350 -16.568
  919    H    GLY 121           H        GLY 121  16.585  17.951 -20.491
  920   1HA   GLY 121          HA2       GLY 121  17.994  19.659 -21.189
  921   2HA   GLY 121          HA3       GLY 121  18.995  18.507 -22.084
  922    H    GLY 122           H        GLY 122  15.751  17.885 -22.889
  923   1HA   GLY 122          HA2       GLY 122  15.965  19.130 -25.517
  924   2HA   GLY 122          HA3       GLY 122  14.657  18.123 -24.880
  925    H    SER 123           H        SER 123  13.697  20.092 -26.242
  926    HA   SER 123           HA       SER 123  13.264  22.575 -24.791
  927   1HB   SER 123          HB2       SER 123  11.686  21.367 -27.103
  928   2HB   SER 123          HB3       SER 123  11.776  23.074 -26.642
  929    HG   SER 123           HG       SER 123  13.965  23.068 -27.272
  930    H    ILE 124           H        ILE 124  10.967  23.163 -24.147
  931    HA   ILE 124           HA       ILE 124   9.795  21.377 -22.353
  932    HB   ILE 124           HB       ILE 124   9.416  23.737 -22.228
  933   1HG1  ILE 124          HG12      ILE 124   6.997  23.919 -21.923
  934   2HG1  ILE 124          HG13      ILE 124   6.725  22.447 -22.852
  935   1HG2  ILE 124          HG21      ILE 124   7.848  23.615 -24.839
  936   2HG2  ILE 124          HG22      ILE 124   8.031  25.024 -23.785
  937   3HG2  ILE 124          HG23      ILE 124   9.441  24.379 -24.615
  938   1HD1  ILE 124          HD11      ILE 124   7.843  21.109 -21.123
  939   2HD1  ILE 124          HD12      ILE 124   8.296  22.587 -20.241
  940   3HD1  ILE 124          HD13      ILE 124   6.588  22.119 -20.392
  941    H    ASP 125           H        ASP 125   9.212  21.732 -25.819
  942    HA   ASP 125           HA       ASP 125   6.902  20.135 -26.035
  943   1HB   ASP 125          HB2       ASP 125   7.727  21.508 -27.880
  944   2HB   ASP 125          HB3       ASP 125   9.164  20.487 -28.027
  945    H    ILE 126           H        ILE 126  10.306  19.172 -25.716
  946    HA   ILE 126           HA       ILE 126   9.824  16.406 -26.471
  947    HB   ILE 126           HB       ILE 126  12.188  17.516 -24.930
  948   1HG1  ILE 126          HG12      ILE 126  12.047  18.831 -26.981
  949   2HG1  ILE 126          HG13      ILE 126  13.387  17.706 -27.074
  950   1HG2  ILE 126          HG21      ILE 126  11.872  15.037 -26.685
  951   2HG2  ILE 126          HG22      ILE 126  13.376  15.572 -25.898
  952   3HG2  ILE 126          HG23      ILE 126  11.984  15.059 -24.933
  953   1HD1  ILE 126          HD11      ILE 126  10.684  17.333 -28.447
  954   2HD1  ILE 126          HD12      ILE 126  12.188  17.866 -29.212
  955   3HD1  ILE 126          HD13      ILE 126  12.067  16.222 -28.571
  956    H    TYR 127           H        TYR 127   9.944  18.268 -23.439
  957    HA   TYR 127           HA       TYR 127   9.570  15.940 -21.765
  958   1HB   TYR 127          HB2       TYR 127   9.160  18.899 -21.235
  959   2HB   TYR 127          HB3       TYR 127   8.805  17.654 -20.049
  960    HD1  TYR 127           HD1      TYR 127  11.564  19.127 -22.066
  961    HD2  TYR 127           HD2      TYR 127  10.537  16.602 -18.757
  962    HE1  TYR 127           HE1      TYR 127  13.939  19.129 -21.349
  963    HE2  TYR 127           HE2      TYR 127  12.898  16.585 -18.022
  964    HH   TYR 127           HH       TYR 127  15.028  17.433 -18.377
  965    H    LYS 128           H        LYS 128   7.422  18.189 -23.463
  966    HA   LYS 128           HA       LYS 128   5.011  17.089 -22.364
  967   1HB   LYS 128          HB2       LYS 128   4.627  19.160 -23.104
  968   2HB   LYS 128          HB3       LYS 128   5.742  19.072 -24.432
  969   1HG   LYS 128          HG2       LYS 128   3.055  17.654 -24.589
  970   2HG   LYS 128          HG3       LYS 128   3.238  19.383 -24.894
  971   1HD   LYS 128          HD2       LYS 128   5.085  18.795 -26.557
  972   2HD   LYS 128          HD3       LYS 128   4.513  17.122 -26.476
  973   1HE   LYS 128          HE2       LYS 128   2.280  17.831 -27.243
  974   2HE   LYS 128          HE3       LYS 128   2.783  19.527 -27.182
  975   1HZ   LYS 128          HZ1       LYS 128   2.956  18.784 -29.418
  976   2HZ   LYS 128          HZ2       LYS 128   4.493  18.979 -28.863
  977   3HZ   LYS 128          HZ3       LYS 128   3.849  17.476 -29.025
  978    H    GLN 129           H        GLN 129   6.897  16.219 -25.271
  979    HA   GLN 129           HA       GLN 129   5.064  14.211 -26.154
  980   1HB   GLN 129          HB2       GLN 129   8.084  14.496 -26.490
  981   2HB   GLN 129          HB3       GLN 129   7.157  13.164 -27.183
  982   1HG   GLN 129          HG2       GLN 129   5.789  14.769 -28.484
  983   2HG   GLN 129          HG3       GLN 129   6.730  16.105 -27.830
  984   1HE2  GLN 129          HE22      GLN 129   8.182  16.859 -29.412
  985   2HE2  GLN 129          HE21      GLN 129   9.091  15.795 -30.466
  986    H    THR 130           H        THR 130   7.790  14.153 -23.887
  987    HA   THR 130           HA       THR 130   7.717  11.391 -23.296
  988    HB   THR 130           HB       THR 130   8.580  13.761 -21.574
  989    HG1  THR 130           HG1      THR 130   9.725  13.693 -23.461
  990   1HG2  THR 130          HG21      THR 130  10.021  12.154 -20.400
  991   2HG2  THR 130          HG22      THR 130   8.324  11.747 -20.178
  992   3HG2  THR 130          HG23      THR 130   9.306  10.827 -21.340
  993    H    ARG 131           H        ARG 131   6.039  14.135 -21.707
  994    HA   ARG 131           HA       ARG 131   5.061  12.485 -19.619
  995   1HB   ARG 131          HB2       ARG 131   3.990  14.309 -18.736
  996   2HB   ARG 131          HB3       ARG 131   5.229  15.092 -19.710
  997   1HG   ARG 131          HG2       ARG 131   3.414  15.198 -21.558
  998   2HG   ARG 131          HG3       ARG 131   2.265  14.752 -20.293
  999   1HD   ARG 131          HD2       ARG 131   2.719  16.818 -19.090
 1000   2HD   ARG 131          HD3       ARG 131   4.088  17.177 -20.160
 1001    HE   ARG 131           HE       ARG 131   1.760  16.832 -21.753
 1002   1HH1  ARG 131          HH11      ARG 131   2.946  19.320 -19.430
 1003   2HH1  ARG 131          HH12      ARG 131   2.584  20.597 -20.583
 1004   1HH2  ARG 131          HH21      ARG 131   1.059  18.693 -22.990
 1005   2HH2  ARG 131          HH22      ARG 131   1.511  20.279 -22.398
 1006    H    ASP 132           H        ASP 132   3.811  13.094 -22.866
 1007    HA   ASP 132           HA       ASP 132   1.200  12.032 -22.385
 1008   1HB   ASP 132          HB2       ASP 132   1.674  13.414 -24.343
 1009   2HB   ASP 132          HB3       ASP 132   2.838  12.229 -24.938
 1010    H    GLU 133           H        GLU 133   4.269  10.540 -23.464
 1011    HA   GLU 133           HA       GLU 133   3.099   7.922 -23.825
 1012   1HB   GLU 133          HB2       GLU 133   5.204   8.598 -24.949
 1013   2HB   GLU 133          HB3       GLU 133   5.991   8.798 -23.377
 1014   1HG   GLU 133          HG2       GLU 133   5.662   6.353 -22.932
 1015   2HG   GLU 133          HG3       GLU 133   4.905   6.185 -24.517
 1016    H    LEU 134           H        LEU 134   4.823   9.592 -21.257
 1017    HA   LEU 134           HA       LEU 134   5.056   7.467 -19.437
 1018   1HB   LEU 134          HB2       LEU 134   6.242   9.742 -19.487
 1019   2HB   LEU 134          HB3       LEU 134   4.762  10.436 -18.822
 1020    HG   LEU 134           HG       LEU 134   5.062   9.002 -16.789
 1021   1HD1  LEU 134          HD11      LEU 134   7.695   8.283 -18.146
 1022   2HD1  LEU 134          HD12      LEU 134   7.309   7.955 -16.443
 1023   3HD1  LEU 134          HD13      LEU 134   6.395   7.152 -17.720
 1024   1HD2  LEU 134          HD21      LEU 134   5.883  11.312 -16.799
 1025   2HD2  LEU 134          HD22      LEU 134   7.054  10.292 -15.952
 1026   3HD2  LEU 134          HD23      LEU 134   7.380  10.819 -17.611
 1027    H    GLU 135           H        GLU 135   2.447   9.878 -19.887
 1028    HA   GLU 135           HA       GLU 135   0.935   9.067 -17.632
 1029   1HB   GLU 135          HB2       GLU 135   0.622  11.212 -18.896
 1030   2HB   GLU 135          HB3       GLU 135  -0.046  10.294 -20.251
 1031   1HG   GLU 135          HG2       GLU 135  -1.874   9.487 -18.701
 1032   2HG   GLU 135          HG3       GLU 135  -1.198  10.521 -17.436
 1033    H    GLU 136           H        GLU 136   0.952   7.909 -21.006
 1034    HA   GLU 136           HA       GLU 136  -1.344   6.245 -20.649
 1035   1HB   GLU 136          HB2       GLU 136  -0.378   7.044 -22.866
 1036   2HB   GLU 136          HB3       GLU 136   0.956   5.917 -22.632
 1037   1HG   GLU 136          HG2       GLU 136  -0.580   4.877 -24.116
 1038   2HG   GLU 136          HG3       GLU 136  -0.721   4.025 -22.588
 1039    H    LEU 137           H        LEU 137   2.143   5.711 -20.327
 1040    HA   LEU 137           HA       LEU 137   2.023   2.932 -19.729
 1041   1HB   LEU 137          HB2       LEU 137   4.073   4.346 -20.381
 1042   2HB   LEU 137          HB3       LEU 137   4.038   4.993 -18.743
 1043    HG   LEU 137           HG       LEU 137   4.079   2.484 -17.988
 1044   1HD1  LEU 137          HD11      LEU 137   5.192   2.257 -20.836
 1045   2HD1  LEU 137          HD12      LEU 137   5.288   0.994 -19.598
 1046   3HD1  LEU 137          HD13      LEU 137   3.715   1.483 -20.251
 1047   1HD2  LEU 137          HD21      LEU 137   6.506   2.465 -18.025
 1048   2HD2  LEU 137          HD22      LEU 137   6.532   3.734 -19.275
 1049   3HD2  LEU 137          HD23      LEU 137   5.914   4.087 -17.644
 1050    H    LEU 138           H        LEU 138   1.975   5.844 -17.654
 1051    HA   LEU 138           HA       LEU 138   2.009   4.301 -15.234
 1052   1HB   LEU 138          HB2       LEU 138   1.758   7.210 -15.901
 1053   2HB   LEU 138          HB3       LEU 138   1.201   6.672 -14.330
 1054    HG   LEU 138           HG       LEU 138   3.291   5.807 -13.672
 1055   1HD1  LEU 138          HD11      LEU 138   4.200   4.798 -15.739
 1056   2HD1  LEU 138          HD12      LEU 138   4.486   6.417 -16.399
 1057   3HD1  LEU 138          HD13      LEU 138   5.363   5.867 -14.965
 1058   1HD2  LEU 138          HD21      LEU 138   2.957   8.214 -13.478
 1059   2HD2  LEU 138          HD22      LEU 138   4.661   7.809 -13.718
 1060   3HD2  LEU 138          HD23      LEU 138   3.702   8.465 -15.069
 1061    H    ARG 139           H        ARG 139  -0.610   5.412 -17.313
 1062    HA   ARG 139           HA       ARG 139  -2.609   4.850 -15.332
 1063   1HB   ARG 139          HB2       ARG 139  -2.912   6.147 -17.577
 1064   2HB   ARG 139          HB3       ARG 139  -3.049   4.553 -18.322
 1065   1HG   ARG 139          HG2       ARG 139  -5.267   5.355 -17.876
 1066   2HG   ARG 139          HG3       ARG 139  -4.957   4.063 -16.705
 1067   1HD   ARG 139          HD2       ARG 139  -4.483   5.711 -14.960
 1068   2HD   ARG 139          HD3       ARG 139  -4.664   7.045 -16.105
 1069    HE   ARG 139           HE       ARG 139  -6.737   5.503 -14.732
 1070   1HH1  ARG 139          HH21      ARG 139  -6.206   7.655 -17.532
 1071   2HH1  ARG 139          HH22      ARG 139  -7.854   8.158 -17.582
 1072   1HH2  ARG 139          HH11      ARG 139  -8.748   6.130 -14.774
 1073   2HH2  ARG 139          HH12      ARG 139  -9.402   7.248 -15.960
 1074    H    GLN 140           H        GLN 140  -0.875   2.850 -17.736
 1075    HA   GLN 140           HA       GLN 140  -2.330   0.478 -17.074
 1076   1HB   GLN 140          HB2       GLN 140   0.464   0.701 -18.204
 1077   2HB   GLN 140          HB3       GLN 140  -0.497  -0.769 -18.066
 1078   1HG   GLN 140          HG2       GLN 140  -1.948   1.330 -19.542
 1079   2HG   GLN 140          HG3       GLN 140  -0.389   0.955 -20.267
 1080   1HE2  GLN 140          HE22      GLN 140   0.079  -1.369 -20.821
 1081   2HE2  GLN 140          HE21      GLN 140  -1.261  -2.425 -21.176
 1082    H    LEU 141           H        LEU 141   0.607   1.948 -15.655
 1083    HA   LEU 141           HA       LEU 141   1.140  -0.115 -13.786
 1084   1HB   LEU 141          HB2       LEU 141   1.498   2.891 -13.588
 1085   2HB   LEU 141          HB3       LEU 141   1.698   1.893 -12.167
 1086    HG   LEU 141           HG       LEU 141   3.518   0.661 -13.191
 1087   1HD1  LEU 141          HD11      LEU 141   2.898   0.934 -15.591
 1088   2HD1  LEU 141          HD12      LEU 141   3.391   2.632 -15.494
 1089   3HD1  LEU 141          HD13      LEU 141   4.585   1.354 -15.238
 1090   1HD2  LEU 141          HD21      LEU 141   4.056   2.566 -11.817
 1091   2HD2  LEU 141          HD22      LEU 141   5.131   2.602 -13.229
 1092   3HD2  LEU 141          HD23      LEU 141   3.745   3.691 -13.152
 1093    H    ALA 142           H        ALA 142  -1.175   2.587 -13.551
 1094    HA   ALA 142           HA       ALA 142  -2.095   1.914 -10.952
 1095   1HB   ALA 142          HB1       ALA 142  -3.936   3.423 -11.395
 1096   2HB   ALA 142          HB2       ALA 142  -2.439   4.129 -12.021
 1097   3HB   ALA 142          HB3       ALA 142  -3.616   3.395 -13.138
 1098    H    LYS 143           H        LYS 143  -3.195   0.879 -14.178
 1099    HA   LYS 143           HA       LYS 143  -5.478  -0.613 -13.333
 1100   1HB   LYS 143          HB2       LYS 143  -3.598  -1.089 -15.686
 1101   2HB   LYS 143          HB3       LYS 143  -5.076  -1.998 -15.408
 1102   1HG   LYS 143          HG2       LYS 143  -6.467  -0.066 -15.735
 1103   2HG   LYS 143          HG3       LYS 143  -5.088   1.026 -15.705
 1104   1HD   LYS 143          HD2       LYS 143  -5.790   0.762 -17.992
 1105   2HD   LYS 143          HD3       LYS 143  -4.209  -0.008 -17.803
 1106   1HE   LYS 143          HE2       LYS 143  -5.312  -2.231 -17.628
 1107   2HE   LYS 143          HE3       LYS 143  -6.893  -1.462 -17.832
 1108   1HZ   LYS 143          HZ1       LYS 143  -6.002  -2.368 -19.911
 1109   2HZ   LYS 143          HZ2       LYS 143  -6.204  -0.755 -20.034
 1110   3HZ   LYS 143          HZ3       LYS 143  -4.699  -1.376 -19.831
 1111    H    GLN 144           H        GLN 144  -2.047  -1.538 -13.687
 1112    HA   GLN 144           HA       GLN 144  -2.382  -4.246 -12.922
 1113   1HB   GLN 144          HB2       GLN 144   0.036  -2.403 -12.780
 1114   2HB   GLN 144          HB3       GLN 144   0.091  -4.117 -12.363
 1115   1HG   GLN 144          HG2       GLN 144  -0.589  -4.775 -14.592
 1116   2HG   GLN 144          HG3       GLN 144  -0.893  -3.108 -15.066
 1117   1HE2  GLN 144          HE22      GLN 144   1.729  -5.380 -14.099
 1118   2HE2  GLN 144          HE21      GLN 144   2.993  -4.509 -14.950
 1119    H    LEU 145           H        LEU 145  -1.562  -1.351 -10.869
 1120    HA   LEU 145           HA       LEU 145  -1.388  -2.851  -8.462
 1121   1HB   LEU 145          HB2       LEU 145  -2.293   0.037  -8.762
 1122   2HB   LEU 145          HB3       LEU 145  -1.825  -0.760  -7.262
 1123    HG   LEU 145           HG       LEU 145  -0.071   0.041  -9.577
 1124   1HD1  LEU 145          HD11      LEU 145   1.055   1.359  -7.937
 1125   2HD1  LEU 145          HD12      LEU 145  -0.677   1.644  -7.727
 1126   3HD1  LEU 145          HD13      LEU 145   0.176   0.577  -6.599
 1127   1HD2  LEU 145          HD21      LEU 145   0.679  -1.826  -7.289
 1128   2HD2  LEU 145          HD22      LEU 145   0.742  -2.193  -9.026
 1129   3HD2  LEU 145          HD23      LEU 145   1.851  -1.001  -8.351
 1130    H    LYS 146           H        LYS 146  -4.255  -1.382 -10.040
 1131    HA   LYS 146           HA       LYS 146  -5.985  -2.116  -7.815
 1132   1HB   LYS 146          HB2       LYS 146  -6.375  -0.918 -10.560
 1133   2HB   LYS 146          HB3       LYS 146  -7.782  -1.568  -9.671
 1134   1HG   LYS 146          HG2       LYS 146  -7.219  -0.156  -7.727
 1135   2HG   LYS 146          HG3       LYS 146  -5.764   0.396  -8.548
 1136   1HD   LYS 146          HD2       LYS 146  -7.407   2.119  -8.610
 1137   2HD   LYS 146          HD3       LYS 146  -7.131   1.538 -10.261
 1138   1HE   LYS 146          HE2       LYS 146  -9.236   0.301 -10.215
 1139   2HE   LYS 146          HE3       LYS 146  -9.446   0.632  -8.487
 1140   1HZ   LYS 146          HZ1       LYS 146  -9.419   2.717 -10.601
 1141   2HZ   LYS 146          HZ2       LYS 146 -10.773   2.119  -9.883
 1142   3HZ   LYS 146          HZ3       LYS 146  -9.684   2.978  -9.003
 1143    H    LYS 147           H        LYS 147  -4.797  -3.861 -10.640
 1144    HA   LYS 147           HA       LYS 147  -6.749  -5.997 -10.383
 1145   1HB   LYS 147          HB2       LYS 147  -5.459  -5.531 -12.474
 1146   2HB   LYS 147          HB3       LYS 147  -3.974  -6.041 -11.656
 1147   1HG   LYS 147          HG2       LYS 147  -4.879  -8.291 -11.333
 1148   2HG   LYS 147          HG3       LYS 147  -6.417  -7.798 -12.081
 1149   1HD   LYS 147          HD2       LYS 147  -5.282  -7.361 -14.219
 1150   2HD   LYS 147          HD3       LYS 147  -3.704  -7.622 -13.467
 1151   1HE   LYS 147          HE2       LYS 147  -4.209  -9.592 -14.684
 1152   2HE   LYS 147          HE3       LYS 147  -4.320  -9.963 -12.960
 1153   1HZ   LYS 147          HZ1       LYS 147  -6.155 -10.921 -14.227
 1154   2HZ   LYS 147          HZ2       LYS 147  -6.742  -9.839 -13.162
 1155   3HZ   LYS 147          HZ3       LYS 147  -6.634  -9.457 -14.751
 1156    H    ASP 148           H        ASP 148  -3.322  -5.539  -9.221
 1157    HA   ASP 148           HA       ASP 148  -3.827  -7.322  -6.953
 1158   1HB   ASP 148          HB2       ASP 148  -3.350  -8.870  -8.885
 1159   2HB   ASP 148          HB3       ASP 148  -1.798  -8.066  -9.100
 1160    H    ARG 149           H        ARG 149  -1.819  -7.479  -5.595
 1161    HA   ARG 149           HA       ARG 149  -1.001  -4.860  -4.953
 1162   1HB   ARG 149          HB2       ARG 149  -1.275  -6.955  -3.485
 1163   2HB   ARG 149          HB3       ARG 149   0.357  -7.406  -3.981
 1164   1HG   ARG 149          HG2       ARG 149   1.216  -5.270  -2.987
 1165   2HG   ARG 149          HG3       ARG 149  -0.427  -4.826  -2.524
 1166   1HD   ARG 149          HD2       ARG 149   1.075  -7.306  -1.576
 1167   2HD   ARG 149          HD3       ARG 149   0.973  -5.782  -0.681
 1168    HE   ARG 149           HE       ARG 149  -1.664  -6.476  -1.192
 1169   1HH1  ARG 149          HH21      ARG 149   1.049  -7.955   0.553
 1170   2HH1  ARG 149          HH22      ARG 149   0.053  -8.800   1.678
 1171   1HH2  ARG 149          HH11      ARG 149  -2.998  -7.609   0.301
 1172   2HH2  ARG 149          HH12      ARG 149  -2.300  -8.592   1.530
 1173    H    ARG 150           H        ARG 150   0.409  -6.771  -7.423
 1174    HA   ARG 150           HA       ARG 150   2.236  -4.738  -8.017
 1175   1HB   ARG 150          HB2       ARG 150   4.285  -6.142  -8.223
 1176   2HB   ARG 150          HB3       ARG 150   3.905  -5.698  -6.581
 1177   1HG   ARG 150          HG2       ARG 150   3.005  -8.383  -7.674
 1178   2HG   ARG 150          HG3       ARG 150   4.680  -8.148  -7.209
 1179   1HD   ARG 150          HD2       ARG 150   2.444  -7.514  -5.245
 1180   2HD   ARG 150          HD3       ARG 150   3.035  -9.148  -5.486
 1181    HE   ARG 150           HE       ARG 150   5.090  -8.641  -4.601
 1182   1HH1  ARG 150          HH21      ARG 150   3.148  -5.584  -4.540
 1183   2HH1  ARG 150          HH22      ARG 150   4.103  -4.949  -3.228
 1184   1HH2  ARG 150          HH11      ARG 150   6.292  -7.668  -2.955
 1185   2HH2  ARG 150          HH12      ARG 150   5.889  -6.085  -2.368
  Start of MODEL   13
    1   1H    MET   1           H1       MET   1   1.454   0.328   0.375
    2   2H    MET   1           H2       MET   1   1.523  -1.311   0.301
    3   3H    MET   1           H3       MET   1   2.770  -0.457   0.936
    4    HA   MET   1           HA       MET   1   3.374  -1.196  -1.249
    5   1HB   MET   1          HB2       MET   1   1.103  -1.384  -2.173
    6   2HB   MET   1          HB3       MET   1   0.899   0.369  -2.128
    7   1HG   MET   1          HG2       MET   1   1.417  -0.511  -4.376
    8   2HG   MET   1          HG3       MET   1   2.604   0.672  -3.841
    9   1HE   MET   1          HE1       MET   1   3.350  -0.935  -6.349
   10   2HE   MET   1          HE2       MET   1   3.929  -2.602  -6.116
   11   3HE   MET   1          HE3       MET   1   2.215  -2.221  -5.880
   12    H    ASP   2           H        ASP   2   5.222  -0.022  -1.695
   13    HA   ASP   2           HA       ASP   2   5.010   2.893  -1.863
   14   1HB   ASP   2          HB2       ASP   2   5.854   2.591   0.376
   15   2HB   ASP   2          HB3       ASP   2   7.094   1.480  -0.215
   16    H    ILE   3           H        ILE   3   5.969   3.552  -3.741
   17    HA   ILE   3           HA       ILE   3   7.638   1.542  -5.168
   18    HB   ILE   3           HB       ILE   3   5.892   3.612  -6.491
   19   1HG1  ILE   3          HG12      ILE   3   5.113   0.707  -6.026
   20   2HG1  ILE   3          HG13      ILE   3   4.458   2.064  -5.117
   21   1HG2  ILE   3          HG21      ILE   3   6.177   2.177  -8.488
   22   2HG2  ILE   3          HG22      ILE   3   7.691   2.818  -7.886
   23   3HG2  ILE   3          HG23      ILE   3   7.273   1.130  -7.555
   24   1HD1  ILE   3          HD11      ILE   3   4.053   1.586  -8.078
   25   2HD1  ILE   3          HD12      ILE   3   2.877   1.490  -6.759
   26   3HD1  ILE   3          HD13      ILE   3   3.557   3.063  -7.206
   27    H    ILE   4           H        ILE   4   9.720   2.207  -5.671
   28    HA   ILE   4           HA       ILE   4  10.307   5.116  -5.607
   29    HB   ILE   4           HB       ILE   4  12.347   2.898  -5.865
   30   1HG1  ILE   4          HG12      ILE   4  11.520   4.205  -3.248
   31   2HG1  ILE   4          HG13      ILE   4  11.086   2.565  -3.745
   32   1HG2  ILE   4          HG21      ILE   4  12.937   5.273  -6.541
   33   2HG2  ILE   4          HG22      ILE   4  12.612   5.777  -4.873
   34   3HG2  ILE   4          HG23      ILE   4  13.929   4.643  -5.242
   35   1HD1  ILE   4          HD11      ILE   4  13.475   1.932  -3.876
   36   2HD1  ILE   4          HD12      ILE   4  13.918   3.548  -3.319
   37   3HD1  ILE   4          HD13      ILE   4  12.993   2.477  -2.261
   38    H    PHE   5           H        PHE   5   9.954   6.032  -7.573
   39    HA   PHE   5           HA       PHE   5  10.478   4.561 -10.070
   40   1HB   PHE   5          HB2       PHE   5   9.738   7.478  -9.510
   41   2HB   PHE   5          HB3       PHE   5   9.947   6.789 -11.109
   42    HD1  PHE   5           HD1      PHE   5   7.581   7.447  -8.504
   43    HD2  PHE   5           HD2      PHE   5   8.454   4.697 -11.714
   44    HE1  PHE   5           HE1      PHE   5   5.203   6.751  -8.569
   45    HE2  PHE   5           HE2      PHE   5   6.079   3.984 -11.748
   46    HZ   PHE   5           HZ       PHE   5   4.452   5.000 -10.169
   47    H    VAL   6           H        VAL   6  12.479   4.733 -11.144
   48    HA   VAL   6           HA       VAL   6  14.384   6.712 -10.106
   49    HB   VAL   6           HB       VAL   6  14.315   4.884  -8.511
   50   1HG1  VAL   6          HG11      VAL   6  15.251   3.023 -10.691
   51   2HG1  VAL   6          HG12      VAL   6  15.103   2.666  -8.951
   52   3HG1  VAL   6          HG13      VAL   6  13.657   3.026  -9.881
   53   1HG2  VAL   6          HG21      VAL   6  16.811   4.233  -8.647
   54   2HG2  VAL   6          HG22      VAL   6  16.843   5.399  -9.991
   55   3HG2  VAL   6          HG23      VAL   6  16.321   5.887  -8.373
   56    H    CYS   7           H        CYS   7  15.799   7.462 -11.478
   57    HA   CYS   7           HA       CYS   7  16.698   5.937 -13.771
   58   1HB   CYS   7          HB2       CYS   7  16.299   7.708 -15.393
   59   2HB   CYS   7          HB3       CYS   7  14.767   7.144 -14.691
   60    HG   CYS   7           HG       CYS   7  14.603   9.023 -12.890
   61    H    THR   8           H        THR   8  18.666   7.143 -14.722
   62    HA   THR   8           HA       THR   8  20.339   6.710 -12.772
   63    HB   THR   8           HB       THR   8  21.127   8.471 -15.106
   64    HG1  THR   8           HG1      THR   8  20.952   6.664 -16.388
   65   1HG2  THR   8          HG21      THR   8  22.460   6.017 -13.865
   66   2HG2  THR   8          HG22      THR   8  23.101   7.013 -15.189
   67   3HG2  THR   8          HG23      THR   8  22.950   7.702 -13.567
   68    H    GLY   9           H        GLY   9  19.591  10.118 -13.728
   69   1HA   GLY   9          HA2       GLY   9  21.115  11.091 -11.365
   70   2HA   GLY   9          HA3       GLY   9  20.668  12.001 -12.817
   71    H    ASN  10           H        ASN  10  18.081  10.095 -11.824
   72    HA   ASN  10           HA       ASN  10  16.047  10.460 -11.322
   73   1HB   ASN  10          HB2       ASN  10  15.517  10.909  -9.239
   74   2HB   ASN  10          HB3       ASN  10  17.252  11.011  -8.979
   75   1HD2  ASN  10          HD22      ASN  10  18.167  13.330  -9.179
   76   2HD2  ASN  10          HD21      ASN  10  17.153  14.593  -8.491
   77    H    THR  11           H        THR  11  17.575  13.729 -11.614
   78    HA   THR  11           HA       THR  11  15.155  15.110 -12.006
   79    HB   THR  11           HB       THR  11  16.763  16.796 -13.143
   80    HG1  THR  11           HG1      THR  11  18.959  16.291 -12.853
   81   1HG2  THR  11          HG21      THR  11  17.771  17.423 -11.021
   82   2HG2  THR  11          HG22      THR  11  16.135  16.822 -10.703
   83   3HG2  THR  11          HG23      THR  11  17.541  15.789 -10.374
   84    H    CYS  12           H        CYS  12  16.925  13.082 -14.230
   85    HA   CYS  12           HA       CYS  12  15.999  13.973 -16.696
   86   1HB   CYS  12          HB2       CYS  12  16.240  11.041 -15.930
   87   2HB   CYS  12          HB3       CYS  12  16.531  11.789 -17.495
   88    HG   CYS  12           HG       CYS  12  18.807  10.998 -16.560
   89    H    ARG  13           H        ARG  13  14.225  12.021 -14.228
   90    HA   ARG  13           HA       ARG  13  11.706  12.473 -15.589
   91   1HB   ARG  13          HB2       ARG  13  13.091  10.596 -16.895
   92   2HB   ARG  13          HB3       ARG  13  12.499   9.563 -15.591
   93   1HG   ARG  13          HG2       ARG  13  10.150  10.310 -16.227
   94   2HG   ARG  13          HG3       ARG  13  10.855  11.173 -17.599
   95   1HD   ARG  13          HD2       ARG  13  11.040   8.161 -17.076
   96   2HD   ARG  13          HD3       ARG  13   9.944   8.944 -18.199
   97    HE   ARG  13           HE       ARG  13  11.611   9.260 -19.748
   98   1HH1  ARG  13          HH11      ARG  13  13.315   8.401 -16.738
   99   2HH1  ARG  13          HH12      ARG  13  14.691   7.760 -17.567
  100   1HH2  ARG  13          HH21      ARG  13  13.333   8.099 -20.781
  101   2HH2  ARG  13          HH22      ARG  13  14.695   7.575 -19.864
  102    H    SER  14           H        SER  14  13.476  10.868 -12.884
  103    HA   SER  14           HA       SER  14  11.442   9.253 -11.943
  104   1HB   SER  14          HB2       SER  14  13.392  10.769 -10.187
  105   2HB   SER  14          HB3       SER  14  12.517   9.278  -9.800
  106    HG   SER  14           HG       SER  14  14.637   8.869 -10.437
  107    HA   PRO  15           HA       PRO  15   9.540  12.527  -9.190
  108   1HB   PRO  15          HB2       PRO  15   9.924  15.191  -9.404
  109   2HB   PRO  15          HB3       PRO  15  11.040  14.119  -8.511
  110   1HG   PRO  15          HG2       PRO  15  11.352  15.146 -11.348
  111   2HG   PRO  15          HG3       PRO  15  12.566  15.149 -10.028
  112   1HD   PRO  15          HD2       PRO  15  12.472  13.205 -11.934
  113   2HD   PRO  15          HD3       PRO  15  12.954  12.848 -10.251
  114    H    MET  16           H        MET  16   9.880  13.185 -12.666
  115    HA   MET  16           HA       MET  16   7.272  14.353 -13.013
  116   1HB   MET  16          HB2       MET  16   8.889  12.643 -14.968
  117   2HB   MET  16          HB3       MET  16   7.436  13.535 -15.346
  118   1HG   MET  16          HG2       MET  16   8.552  15.655 -14.995
  119   2HG   MET  16          HG3       MET  16   9.984  14.847 -14.354
  120   1HE   MET  16          HE1       MET  16   7.949  13.575 -17.616
  121   2HE   MET  16          HE2       MET  16   7.735  15.347 -17.559
  122   3HE   MET  16          HE3       MET  16   8.726  14.605 -18.833
  123    H    ALA  17           H        ALA  17   8.605  11.036 -13.166
  124    HA   ALA  17           HA       ALA  17   6.128   9.778 -13.710
  125   1HB   ALA  17          HB1       ALA  17   8.549   8.621 -12.237
  126   2HB   ALA  17          HB2       ALA  17   7.260   7.688 -13.008
  127   3HB   ALA  17          HB3       ALA  17   8.368   8.661 -14.007
  128    H    GLU  18           H        GLU  18   7.768  10.480 -10.648
  129    HA   GLU  18           HA       GLU  18   5.879   9.237  -8.973
  130   1HB   GLU  18          HB2       GLU  18   8.191  10.181  -8.370
  131   2HB   GLU  18          HB3       GLU  18   7.445  11.786  -8.362
  132   1HG   GLU  18          HG2       GLU  18   5.730  10.587  -6.716
  133   2HG   GLU  18          HG3       GLU  18   7.060   9.451  -6.494
  134    H    ALA  19           H        ALA  19   5.975  12.582 -10.227
  135    HA   ALA  19           HA       ALA  19   3.682  13.431  -8.748
  136   1HB   ALA  19          HB1       ALA  19   4.918  14.563 -11.304
  137   2HB   ALA  19          HB2       ALA  19   3.789  15.415 -10.233
  138   3HB   ALA  19          HB3       ALA  19   5.397  14.985  -9.644
  139    H    LEU  20           H        LEU  20   4.140  12.167 -12.028
  140    HA   LEU  20           HA       LEU  20   1.426  12.594 -12.812
  141   1HB   LEU  20          HB2       LEU  20   3.765  11.831 -14.146
  142   2HB   LEU  20          HB3       LEU  20   2.804  10.368 -14.172
  143    HG   LEU  20           HG       LEU  20   2.029  13.108 -15.244
  144   1HD1  LEU  20          HD11      LEU  20   2.642  10.480 -16.645
  145   2HD1  LEU  20          HD12      LEU  20   2.115  11.982 -17.436
  146   3HD1  LEU  20          HD13      LEU  20   3.675  11.926 -16.609
  147   1HD2  LEU  20          HD21      LEU  20   0.020  12.011 -16.180
  148   2HD2  LEU  20          HD22      LEU  20   0.431  10.522 -15.299
  149   3HD2  LEU  20          HD23      LEU  20  -0.019  11.998 -14.422
  150    H    PHE  21           H        PHE  21   3.170   9.837 -11.322
  151    HA   PHE  21           HA       PHE  21   0.890   8.130 -11.536
  152   1HB   PHE  21          HB2       PHE  21   3.260   7.290 -11.238
  153   2HB   PHE  21          HB3       PHE  21   3.121   7.736  -9.531
  154    HD1  PHE  21           HD1      PHE  21   1.546   5.721 -12.279
  155    HD2  PHE  21           HD2      PHE  21   1.847   6.279  -8.012
  156    HE1  PHE  21           HE1      PHE  21   0.038   3.821 -11.935
  157    HE2  PHE  21           HE2      PHE  21   0.348   4.327  -7.678
  158    HZ   PHE  21           HZ       PHE  21  -0.597   3.130  -9.645
  159    H    LYS  22           H        LYS  22   2.042  10.357  -8.987
  160    HA   LYS  22           HA       LYS  22   0.052   9.639  -7.089
  161   1HB   LYS  22          HB2       LYS  22   1.666  12.163  -7.582
  162   2HB   LYS  22          HB3       LYS  22   0.415  12.134  -6.327
  163   1HG   LYS  22          HG2       LYS  22   1.497  10.501  -5.047
  164   2HG   LYS  22          HG3       LYS  22   2.397   9.875  -6.417
  165   1HD   LYS  22          HD2       LYS  22   3.909  10.911  -4.901
  166   2HD   LYS  22          HD3       LYS  22   3.880  11.811  -6.421
  167   1HE   LYS  22          HE2       LYS  22   2.667  13.616  -5.437
  168   2HE   LYS  22          HE3       LYS  22   2.345  12.689  -3.958
  169   1HZ   LYS  22          HZ1       LYS  22   4.285  14.350  -3.946
  170   2HZ   LYS  22          HZ2       LYS  22   4.540  12.882  -3.292
  171   3HZ   LYS  22          HZ3       LYS  22   5.144  13.199  -4.766
  172    H    SER  23           H        SER  23  -0.085  12.011  -9.760
  173    HA   SER  23           HA       SER  23  -2.770  12.757  -9.214
  174   1HB   SER  23          HB2       SER  23  -1.103  13.934 -10.716
  175   2HB   SER  23          HB3       SER  23  -1.436  12.698 -11.945
  176    HG   SER  23           HG       SER  23  -3.196  14.626 -10.812
  177    H    ILE  24           H        ILE  24  -1.451  10.150 -11.262
  178    HA   ILE  24           HA       ILE  24  -3.979   9.328 -12.273
  179    HB   ILE  24           HB       ILE  24  -1.257   8.047 -12.210
  180   1HG1  ILE  24          HG12      ILE  24  -3.160   9.024 -14.407
  181   2HG1  ILE  24          HG13      ILE  24  -1.789   9.932 -13.780
  182   1HG2  ILE  24          HG21      ILE  24  -2.073   6.157 -13.532
  183   2HG2  ILE  24          HG22      ILE  24  -2.878   6.176 -11.978
  184   3HG2  ILE  24          HG23      ILE  24  -3.748   6.756 -13.412
  185   1HD1  ILE  24          HD11      ILE  24  -1.185   8.953 -15.903
  186   2HD1  ILE  24          HD12      ILE  24  -0.249   8.150 -14.623
  187   3HD1  ILE  24          HD13      ILE  24  -1.651   7.343 -15.375
  188    H    ALA  25           H        ALA  25  -2.152   8.369  -9.379
  189    HA   ALA  25           HA       ALA  25  -3.916   6.245  -8.707
  190   1HB   ALA  25          HB1       ALA  25  -1.635   6.393  -7.757
  191   2HB   ALA  25          HB2       ALA  25  -2.062   7.908  -6.928
  192   3HB   ALA  25          HB3       ALA  25  -2.836   6.386  -6.448
  193    H    GLU  26           H        GLU  26  -3.809   9.692  -7.851
  194    HA   GLU  26           HA       GLU  26  -5.935   9.595  -5.996
  195   1HB   GLU  26          HB2       GLU  26  -4.305  11.458  -6.209
  196   2HB   GLU  26          HB3       GLU  26  -5.021  11.913  -7.762
  197   1HG   GLU  26          HG2       GLU  26  -7.163  12.423  -6.641
  198   2HG   GLU  26          HG3       GLU  26  -6.506  11.870  -5.098
  199    H    ARG  27           H        ARG  27  -5.961  10.145  -9.534
  200    HA   ARG  27           HA       ARG  27  -8.829  10.526  -9.516
  201   1HB   ARG  27          HB2       ARG  27  -8.756  10.587 -11.886
  202   2HB   ARG  27          HB3       ARG  27  -7.400  11.513 -11.216
  203   1HG   ARG  27          HG2       ARG  27  -5.934   9.559 -11.707
  204   2HG   ARG  27          HG3       ARG  27  -7.284   8.773 -12.531
  205   1HD   ARG  27          HD2       ARG  27  -5.943   9.788 -14.204
  206   2HD   ARG  27          HD3       ARG  27  -7.390  10.802 -14.042
  207    HE   ARG  27           HE       ARG  27  -5.207  11.716 -12.356
  208   1HH1  ARG  27          HH21      ARG  27  -6.483  11.823 -15.670
  209   2HH1  ARG  27          HH22      ARG  27  -5.610  13.237 -16.123
  210   1HH2  ARG  27          HH11      ARG  27  -4.008  13.624 -12.972
  211   2HH2  ARG  27          HH12      ARG  27  -4.212  14.289 -14.551
  212    H    GLU  28           H        GLU  28  -6.744   7.744  -9.991
  213    HA   GLU  28           HA       GLU  28  -8.881   5.929 -10.760
  214   1HB   GLU  28          HB2       GLU  28  -6.004   5.524  -9.848
  215   2HB   GLU  28          HB3       GLU  28  -7.068   4.166 -10.103
  216   1HG   GLU  28          HG2       GLU  28  -6.375   6.220 -12.236
  217   2HG   GLU  28          HG3       GLU  28  -5.683   4.606 -12.076
  218    H    GLY  29           H        GLY  29  -7.762   7.093  -7.650
  219   1HA   GLY  29          HA2       GLY  29  -8.817   6.801  -5.603
  220   2HA   GLY  29          HA3       GLY  29  -9.849   5.526  -6.277
  221    H    LEU  30           H        LEU  30  -6.363   5.492  -6.783
  222    HA   LEU  30           HA       LEU  30  -6.032   2.935  -5.370
  223   1HB   LEU  30          HB2       LEU  30  -4.506   4.628  -7.298
  224   2HB   LEU  30          HB3       LEU  30  -3.496   3.809  -6.126
  225    HG   LEU  30           HG       LEU  30  -5.649   2.258  -7.572
  226   1HD1  LEU  30          HD11      LEU  30  -2.884   2.808  -8.713
  227   2HD1  LEU  30          HD12      LEU  30  -4.093   1.676  -9.377
  228   3HD1  LEU  30          HD13      LEU  30  -4.427   3.408  -9.361
  229   1HD2  LEU  30          HD21      LEU  30  -4.474   1.170  -5.693
  230   2HD2  LEU  30          HD22      LEU  30  -4.070   0.381  -7.216
  231   3HD2  LEU  30          HD23      LEU  30  -2.907   1.491  -6.468
  232    H    ASN  31           H        ASN  31  -4.210   2.749  -3.809
  233    HA   ASN  31           HA       ASN  31  -3.703   5.168  -2.162
  234   1HB   ASN  31          HB2       ASN  31  -5.522   4.036  -0.991
  235   2HB   ASN  31          HB3       ASN  31  -4.713   2.474  -1.165
  236   1HD2  ASN  31          HD22      ASN  31  -4.315   1.978   1.030
  237   2HD2  ASN  31          HD21      ASN  31  -3.334   2.975   2.070
  238    H    VAL  32           H        VAL  32  -1.552   5.373  -2.242
  239    HA   VAL  32           HA       VAL  32   0.248   3.058  -2.033
  240    HB   VAL  32           HB       VAL  32   1.558   3.862  -3.987
  241   1HG1  VAL  32          HG11      VAL  32   0.285   2.900  -5.739
  242   2HG1  VAL  32          HG12      VAL  32  -0.047   1.979  -4.264
  243   3HG1  VAL  32          HG13      VAL  32  -1.252   3.137  -4.882
  244   1HG2  VAL  32          HG21      VAL  32   0.684   6.212  -4.121
  245   2HG2  VAL  32          HG22      VAL  32   0.660   5.357  -5.659
  246   3HG2  VAL  32          HG23      VAL  32  -0.851   5.573  -4.753
  247    H    ASN  33           H        ASN  33   2.546   3.919  -1.893
  248    HA   ASN  33           HA       ASN  33   2.769   6.799  -1.376
  249   1HB   ASN  33          HB2       ASN  33   3.243   5.407   0.760
  250   2HB   ASN  33          HB3       ASN  33   4.608   4.710  -0.122
  251   1HD2  ASN  33          HD21      ASN  33   6.443   6.046  -0.561
  252   2HD2  ASN  33          HD22      ASN  33   6.606   7.668   0.109
  253    H    VAL  34           H        VAL  34   4.674   7.599  -2.493
  254    HA   VAL  34           HA       VAL  34   6.213   5.670  -3.977
  255    HB   VAL  34           HB       VAL  34   6.011   6.802  -6.146
  256   1HG1  VAL  34          HG11      VAL  34   3.889   5.942  -6.894
  257   2HG1  VAL  34          HG12      VAL  34   4.446   4.852  -5.622
  258   3HG1  VAL  34          HG13      VAL  34   3.188   6.021  -5.271
  259   1HG2  VAL  34          HG21      VAL  34   5.186   9.018  -5.208
  260   2HG2  VAL  34          HG22      VAL  34   4.353   8.434  -6.668
  261   3HG2  VAL  34          HG23      VAL  34   3.587   8.290  -5.063
  262    H    ARG  35           H        ARG  35   8.191   6.545  -4.787
  263    HA   ARG  35           HA       ARG  35   9.074   9.175  -3.772
  264   1HB   ARG  35          HB2       ARG  35  10.342   6.450  -3.190
  265   2HB   ARG  35          HB3       ARG  35  11.345   7.872  -3.364
  266   1HG   ARG  35          HG2       ARG  35  11.124   8.051  -1.167
  267   2HG   ARG  35          HG3       ARG  35   9.655   8.924  -1.587
  268   1HD   ARG  35          HD2       ARG  35   8.371   6.788  -1.264
  269   2HD   ARG  35          HD3       ARG  35   9.878   5.986  -0.792
  270    HE   ARG  35           HE       ARG  35   9.227   8.443   0.678
  271   1HH1  ARG  35          HH21      ARG  35   8.966   4.865   0.757
  272   2HH1  ARG  35          HH22      ARG  35   8.889   4.817   2.484
  273   1HH2  ARG  35          HH11      ARG  35   9.044   8.324   2.944
  274   2HH2  ARG  35          HH12      ARG  35   8.895   6.806   3.738
  275    H    SER  36           H        SER  36  11.191   9.729  -4.839
  276    HA   SER  36           HA       SER  36  11.607   8.425  -7.438
  277   1HB   SER  36          HB2       SER  36  11.986  10.861  -8.283
  278   2HB   SER  36          HB3       SER  36  10.345  10.217  -8.178
  279    HG   SER  36           HG       SER  36  10.020  11.389  -6.280
  280    H    ALA  37           H        ALA  37  13.770   8.148  -7.914
  281    HA   ALA  37           HA       ALA  37  15.848   9.629  -6.420
  282   1HB   ALA  37          HB1       ALA  37  16.786   7.582  -5.467
  283   2HB   ALA  37          HB2       ALA  37  15.124   7.768  -4.911
  284   3HB   ALA  37          HB3       ALA  37  15.487   6.605  -6.203
  285    H    GLY  38           H        GLY  38  18.033   8.381  -7.028
  286   1HA   GLY  38          HA2       GLY  38  18.047   7.167  -9.679
  287   2HA   GLY  38          HA3       GLY  38  18.870   8.723  -9.602
  288    H    VAL  39           H        VAL  39  20.032   6.019 -10.104
  289    HA   VAL  39           HA       VAL  39  21.441   5.125  -7.771
  290    HB   VAL  39           HB       VAL  39  23.020   4.083  -9.534
  291   1HG1  VAL  39          HG11      VAL  39  20.078   3.424  -9.313
  292   2HG1  VAL  39          HG12      VAL  39  21.252   2.383 -10.154
  293   3HG1  VAL  39          HG13      VAL  39  21.437   2.729  -8.424
  294   1HG2  VAL  39          HG21      VAL  39  22.196   3.847 -11.816
  295   2HG2  VAL  39          HG22      VAL  39  20.803   4.844 -11.473
  296   3HG2  VAL  39          HG23      VAL  39  22.407   5.575 -11.460
  297    H    PHE  40           H        PHE  40  22.103   7.754 -10.034
  298    HA   PHE  40           HA       PHE  40  24.554   8.420  -8.493
  299   1HB   PHE  40          HB2       PHE  40  24.225   8.352 -11.516
  300   2HB   PHE  40          HB3       PHE  40  25.565   9.129 -10.688
  301    HD1  PHE  40           HD1      PHE  40  24.482   6.024 -12.116
  302    HD2  PHE  40           HD2      PHE  40  26.939   7.698  -8.985
  303    HE1  PHE  40           HE1      PHE  40  25.783   3.920 -12.002
  304    HE2  PHE  40           HE2      PHE  40  28.222   5.579  -8.867
  305    HZ   PHE  40           HZ       PHE  40  27.645   3.684 -10.373
  306    H    ALA  41           H        ALA  41  21.745   9.332  -8.296
  307    HA   ALA  41           HA       ALA  41  21.744  12.138  -9.143
  308   1HB   ALA  41          HB1       ALA  41  19.774  12.273  -7.653
  309   2HB   ALA  41          HB2       ALA  41  19.620  10.887  -8.753
  310   3HB   ALA  41          HB3       ALA  41  20.086  10.631  -7.062
  311    H    SER  42           H        SER  42  21.697  13.794  -7.302
  312    HA   SER  42           HA       SER  42  23.566  13.123  -5.109
  313   1HB   SER  42          HB2       SER  42  23.761  15.568  -6.908
  314   2HB   SER  42          HB3       SER  42  24.809  15.184  -5.530
  315    HG   SER  42           HG       SER  42  25.739  14.594  -7.549
  316    HA   PRO  43           HA       PRO  43  20.515  15.325  -2.707
  317   1HB   PRO  43          HB2       PRO  43  22.922  16.289  -1.164
  318   2HB   PRO  43          HB3       PRO  43  21.346  15.692  -0.546
  319   1HG   PRO  43          HG2       PRO  43  23.440  14.003  -0.569
  320   2HG   PRO  43          HG3       PRO  43  21.860  13.437  -1.234
  321   1HD   PRO  43          HD2       PRO  43  24.237  14.536  -2.778
  322   2HD   PRO  43          HD3       PRO  43  23.322  13.023  -3.047
  323    H    ASN  44           H        ASN  44  19.643  17.378  -2.556
  324    HA   ASN  44           HA       ASN  44  19.170  19.474  -3.129
  325   1HB   ASN  44          HB2       ASN  44  20.761  19.812  -1.249
  326   2HB   ASN  44          HB3       ASN  44  22.044  20.087  -2.433
  327   1HD2  ASN  44          HD22      ASN  44  22.456  22.309  -2.148
  328   2HD2  ASN  44          HD21      ASN  44  21.236  23.546  -2.286
  329    H    GLY  45           H        GLY  45  20.066  17.788  -5.335
  330   1HA   GLY  45          HA2       GLY  45  20.288  19.949  -7.378
  331   2HA   GLY  45          HA3       GLY  45  20.015  18.226  -7.689
  332    H    LYS  46           H        LYS  46  18.086  19.780  -8.855
  333    HA   LYS  46           HA       LYS  46  15.737  18.962  -7.412
  334   1HB   LYS  46          HB2       LYS  46  14.649  21.180  -7.253
  335   2HB   LYS  46          HB3       LYS  46  16.030  21.016  -6.186
  336   1HG   LYS  46          HG2       LYS  46  17.415  22.322  -7.834
  337   2HG   LYS  46          HG3       LYS  46  15.957  22.540  -8.828
  338   1HD   LYS  46          HD2       LYS  46  14.822  23.609  -6.874
  339   2HD   LYS  46          HD3       LYS  46  16.301  23.447  -5.923
  340   1HE   LYS  46          HE2       LYS  46  16.007  25.042  -8.507
  341   2HE   LYS  46          HE3       LYS  46  15.946  25.718  -6.875
  342   1HZ   LYS  46          HZ1       LYS  46  18.126  25.998  -7.825
  343   2HZ   LYS  46          HZ2       LYS  46  18.238  24.996  -6.548
  344   3HZ   LYS  46          HZ3       LYS  46  18.313  24.401  -8.073
  345    H    ALA  47           H        ALA  47  13.730  19.655  -8.637
  346    HA   ALA  47           HA       ALA  47  13.751  18.455 -11.117
  347   1HB   ALA  47          HB1       ALA  47  11.748  18.874  -9.711
  348   2HB   ALA  47          HB2       ALA  47  11.803  20.597 -10.155
  349   3HB   ALA  47          HB3       ALA  47  11.489  19.369 -11.398
  350    H    THR  48           H        THR  48  13.689  19.124 -13.315
  351    HA   THR  48           HA       THR  48  15.407  21.378 -13.843
  352    HB   THR  48           HB       THR  48  15.482  20.589 -16.080
  353    HG1  THR  48           HG1      THR  48  14.022  19.095 -16.889
  354   1HG2  THR  48          HG21      THR  48  16.456  19.030 -14.327
  355   2HG2  THR  48          HG22      THR  48  14.980  18.046 -14.507
  356   3HG2  THR  48          HG23      THR  48  16.068  18.287 -15.891
  357    HA   PRO  49           HA       PRO  49  12.299  24.390 -14.723
  358   1HB   PRO  49          HB2       PRO  49  13.308  25.861 -16.824
  359   2HB   PRO  49          HB3       PRO  49  13.952  25.920 -15.157
  360   1HG   PRO  49          HG2       PRO  49  14.963  24.257 -17.485
  361   2HG   PRO  49          HG3       PRO  49  15.911  25.315 -16.385
  362   1HD   PRO  49          HD2       PRO  49  15.760  22.654 -15.978
  363   2HD   PRO  49          HD3       PRO  49  15.710  23.779 -14.592
  364    H    HIS  50           H        HIS  50  12.711  21.758 -16.825
  365    HA   HIS  50           HA       HIS  50  10.340  22.606 -18.385
  366   1HB   HIS  50          HB2       HIS  50  12.660  20.905 -19.291
  367   2HB   HIS  50          HB3       HIS  50  11.133  21.056 -20.170
  368    HD1  HIS  50           HD1      HIS  50  13.946  21.938 -21.454
  369    HD2  HIS  50           HD2      HIS  50  11.020  24.401 -19.675
  370    HE1  HIS  50           HE1      HIS  50  14.296  24.272 -22.392
  371    H    ALA  51           H        ALA  51  11.844  19.919 -16.565
  372    HA   ALA  51           HA       ALA  51   9.647  18.130 -16.903
  373   1HB   ALA  51          HB1       ALA  51  10.468  17.193 -14.707
  374   2HB   ALA  51          HB2       ALA  51  11.774  17.395 -15.889
  375   3HB   ALA  51          HB3       ALA  51  11.583  18.559 -14.567
  376    H    VAL  52           H        VAL  52  10.392  20.630 -14.485
  377    HA   VAL  52           HA       VAL  52   8.024  20.274 -13.010
  378    HB   VAL  52           HB       VAL  52  10.341  21.414 -12.535
  379   1HG1  VAL  52          HG11      VAL  52   8.786  23.916 -13.170
  380   2HG1  VAL  52          HG12      VAL  52  10.417  23.789 -12.466
  381   3HG1  VAL  52          HG13      VAL  52  10.149  23.266 -14.135
  382   1HG2  VAL  52          HG21      VAL  52   8.750  20.996 -10.833
  383   2HG2  VAL  52          HG22      VAL  52   9.409  22.617 -10.603
  384   3HG2  VAL  52          HG23      VAL  52   7.778  22.416 -11.298
  385    H    GLU  53           H        GLU  53   8.818  22.329 -15.758
  386    HA   GLU  53           HA       GLU  53   6.382  23.781 -15.705
  387   1HB   GLU  53          HB2       GLU  53   8.493  24.516 -16.856
  388   2HB   GLU  53          HB3       GLU  53   8.245  23.245 -18.056
  389   1HG   GLU  53          HG2       GLU  53   7.525  25.245 -19.066
  390   2HG   GLU  53          HG3       GLU  53   6.052  24.377 -18.675
  391    H    ALA  54           H        ALA  54   7.413  20.797 -17.354
  392    HA   ALA  54           HA       ALA  54   5.109  20.431 -18.933
  393   1HB   ALA  54          HB1       ALA  54   5.840  17.980 -18.885
  394   2HB   ALA  54          HB2       ALA  54   7.130  19.119 -19.337
  395   3HB   ALA  54          HB3       ALA  54   7.064  18.421 -17.706
  396    H    LEU  55           H        LEU  55   5.833  19.363 -15.603
  397    HA   LEU  55           HA       LEU  55   3.145  18.164 -15.402
  398   1HB   LEU  55          HB2       LEU  55   5.430  18.551 -13.494
  399   2HB   LEU  55          HB3       LEU  55   3.838  18.076 -12.886
  400    HG   LEU  55           HG       LEU  55   5.444  16.196 -13.193
  401   1HD1  LEU  55          HD11      LEU  55   3.032  15.791 -13.097
  402   2HD1  LEU  55          HD12      LEU  55   2.922  15.950 -14.873
  403   3HD1  LEU  55          HD13      LEU  55   3.849  14.624 -14.139
  404   1HD2  LEU  55          HD21      LEU  55   5.003  16.551 -16.187
  405   2HD2  LEU  55          HD22      LEU  55   6.523  16.861 -15.320
  406   3HD2  LEU  55          HD23      LEU  55   5.852  15.225 -15.388
  407    H    PHE  56           H        PHE  56   4.494  21.357 -14.697
  408    HA   PHE  56           HA       PHE  56   2.166  22.185 -13.198
  409   1HB   PHE  56          HB2       PHE  56   4.317  23.436 -13.162
  410   2HB   PHE  56          HB3       PHE  56   4.061  23.895 -14.849
  411    HD1  PHE  56           HD1      PHE  56   2.330  23.938 -11.504
  412    HD2  PHE  56           HD2      PHE  56   2.872  25.926 -15.294
  413    HE1  PHE  56           HE1      PHE  56   0.791  25.725 -10.779
  414    HE2  PHE  56           HE2      PHE  56   1.367  27.751 -14.543
  415    HZ   PHE  56           HZ       PHE  56   0.316  27.658 -12.288
  416    H    GLU  57           H        GLU  57   3.002  22.147 -16.706
  417    HA   GLU  57           HA       GLU  57   0.555  23.342 -17.550
  418   1HB   GLU  57          HB2       GLU  57   2.654  23.167 -18.878
  419   2HB   GLU  57          HB3       GLU  57   2.386  21.427 -19.057
  420   1HG   GLU  57          HG2       GLU  57   0.310  21.844 -20.295
  421   2HG   GLU  57          HG3       GLU  57   0.422  23.580 -19.965
  422    H    LYS  58           H        LYS  58   1.462  19.908 -16.895
  423    HA   LYS  58           HA       LYS  58  -1.185  18.922 -17.534
  424   1HB   LYS  58          HB2       LYS  58   0.943  17.563 -17.425
  425   2HB   LYS  58          HB3       LYS  58   0.836  17.628 -15.658
  426   1HG   LYS  58          HG2       LYS  58  -1.228  16.399 -15.645
  427   2HG   LYS  58          HG3       LYS  58  -1.478  16.614 -17.371
  428   1HD   LYS  58          HD2       LYS  58   0.784  14.978 -16.152
  429   2HD   LYS  58          HD3       LYS  58  -0.770  14.301 -16.635
  430   1HE   LYS  58          HE2       LYS  58   1.168  15.727 -18.499
  431   2HE   LYS  58          HE3       LYS  58   1.053  13.975 -18.320
  432   1HZ   LYS  58          HZ1       LYS  58  -1.183  14.025 -19.161
  433   2HZ   LYS  58          HZ2       LYS  58  -1.203  15.665 -19.256
  434   3HZ   LYS  58          HZ3       LYS  58  -0.232  14.786 -20.233
  435    H    HIS  59           H        HIS  59  -0.126  20.894 -15.004
  436    HA   HIS  59           HA       HIS  59  -1.114  21.825 -13.247
  437   1HB   HIS  59          HB2       HIS  59  -3.720  20.506 -14.048
  438   2HB   HIS  59          HB3       HIS  59  -3.501  21.842 -12.929
  439    HD1  HIS  59           HD1      HIS  59  -4.630  21.467 -16.301
  440    HD2  HIS  59           HD2      HIS  59  -1.876  23.975 -14.339
  441    HE1  HIS  59           HE1      HIS  59  -4.369  23.529 -17.769
  442    H    ILE  60           H        ILE  60   0.467  19.825 -12.775
  443    HA   ILE  60           HA       ILE  60  -0.717  18.418 -10.422
  444    HB   ILE  60           HB       ILE  60   1.495  17.511 -12.289
  445   1HG1  ILE  60          HG12      ILE  60  -1.285  16.341 -11.780
  446   2HG1  ILE  60          HG13      ILE  60  -0.836  17.274 -13.204
  447   1HG2  ILE  60          HG21      ILE  60   1.946  16.809  -9.939
  448   2HG2  ILE  60          HG22      ILE  60   0.325  16.093  -9.844
  449   3HG2  ILE  60          HG23      ILE  60   1.553  15.435 -10.942
  450   1HD1  ILE  60          HD11      ILE  60   0.330  14.563 -12.484
  451   2HD1  ILE  60          HD12      ILE  60  -0.843  14.924 -13.750
  452   3HD1  ILE  60          HD13      ILE  60   0.803  15.578 -13.862
  453    H    ALA  61           H        ALA  61   1.765  20.579 -11.639
  454    HA   ALA  61           HA       ALA  61   3.369  21.812 -10.667
  455   1HB   ALA  61          HB1       ALA  61   2.847  22.882  -8.553
  456   2HB   ALA  61          HB2       ALA  61   1.397  22.791  -9.572
  457   3HB   ALA  61          HB3       ALA  61   1.594  21.674  -8.207
  458    H    LEU  62           H        LEU  62   4.711  19.920 -11.014
  459    HA   LEU  62           HA       LEU  62   5.616  18.113  -9.003
  460   1HB   LEU  62          HB2       LEU  62   5.985  18.071 -11.485
  461   2HB   LEU  62          HB3       LEU  62   7.114  19.410 -11.332
  462    HG   LEU  62           HG       LEU  62   7.426  16.544 -10.337
  463   1HD1  LEU  62          HD11      LEU  62   9.133  16.388 -12.077
  464   2HD1  LEU  62          HD12      LEU  62   7.627  16.950 -12.804
  465   3HD1  LEU  62          HD13      LEU  62   8.935  18.103 -12.482
  466   1HD2  LEU  62          HD21      LEU  62   9.219  18.938  -9.869
  467   2HD2  LEU  62          HD22      LEU  62   8.800  17.583  -8.775
  468   3HD2  LEU  62          HD23      LEU  62   9.927  17.337 -10.091
  469    H    ASN  63           H        ASN  63   7.163  18.407  -7.379
  470    HA   ASN  63           HA       ASN  63   9.091  20.520  -7.561
  471   1HB   ASN  63          HB2       ASN  63   6.771  21.162  -5.994
  472   2HB   ASN  63          HB3       ASN  63   8.045  20.762  -4.843
  473   1HD2  ASN  63          HD22      ASN  63   7.720  22.503  -7.997
  474   2HD2  ASN  63          HD21      ASN  63   8.694  23.888  -7.533
  475    H    HIS  64           H        HIS  64  10.974  19.588  -6.878
  476    HA   HIS  64           HA       HIS  64  10.989  17.469  -4.861
  477   1HB   HIS  64          HB2       HIS  64  10.373  16.296  -7.001
  478   2HB   HIS  64          HB3       HIS  64  11.829  16.950  -7.758
  479    HD1  HIS  64           HD1      HIS  64  10.778  14.366  -5.086
  480    HD2  HIS  64           HD2      HIS  64  14.146  15.709  -7.229
  481    HE1  HIS  64           HE1      HIS  64  12.645  12.715  -4.597
  482    H    VAL  65           H        VAL  65  13.098  17.115  -4.103
  483    HA   VAL  65           HA       VAL  65  15.320  18.720  -5.222
  484    HB   VAL  65           HB       VAL  65  14.657  18.450  -2.263
  485   1HG1  VAL  65          HG11      VAL  65  17.096  18.562  -2.789
  486   2HG1  VAL  65          HG12      VAL  65  16.815  20.100  -3.646
  487   3HG1  VAL  65          HG13      VAL  65  16.525  19.982  -1.901
  488   1HG2  VAL  65          HG21      VAL  65  14.450  20.878  -4.098
  489   2HG2  VAL  65          HG22      VAL  65  13.110  20.071  -3.252
  490   3HG2  VAL  65          HG23      VAL  65  14.342  20.930  -2.325
  491    H    SER  66           H        SER  66  16.841  17.359  -5.768
  492    HA   SER  66           HA       SER  66  16.503  14.631  -5.888
  493   1HB   SER  66          HB2       SER  66  19.037  16.293  -6.086
  494   2HB   SER  66          HB3       SER  66  18.795  14.693  -6.809
  495    HG   SER  66           HG       SER  66  18.424  16.528  -8.250
  496    H    SER  67           H        SER  67  17.672  12.854  -5.073
  497    HA   SER  67           HA       SER  67  19.756  12.991  -3.112
  498   1HB   SER  67          HB2       SER  67  16.976  11.999  -2.311
  499   2HB   SER  67          HB3       SER  67  18.454  11.545  -1.447
  500    HG   SER  67           HG       SER  67  17.952  14.257  -1.950
  501    HA   PRO  68           HA       PRO  68  20.335   9.198  -5.399
  502   1HB   PRO  68          HB2       PRO  68  22.060   7.760  -3.865
  503   2HB   PRO  68          HB3       PRO  68  22.525   9.323  -4.597
  504   1HG   PRO  68          HG2       PRO  68  21.495   8.832  -1.777
  505   2HG   PRO  68          HG3       PRO  68  22.975   9.724  -2.267
  506   1HD   PRO  68          HD2       PRO  68  20.642  11.014  -1.740
  507   2HD   PRO  68          HD3       PRO  68  21.709  11.553  -3.072
  508    H    LEU  69           H        LEU  69  19.962   6.886  -5.445
  509    HA   LEU  69           HA       LEU  69  17.939   5.856  -3.520
  510   1HB   LEU  69          HB2       LEU  69  17.549   5.375  -5.891
  511   2HB   LEU  69          HB3       LEU  69  19.179   4.741  -6.083
  512    HG   LEU  69           HG       LEU  69  18.695   2.806  -4.767
  513   1HD1  LEU  69          HD11      LEU  69  17.249   3.610  -2.972
  514   2HD1  LEU  69          HD12      LEU  69  16.004   4.088  -4.146
  515   3HD1  LEU  69          HD13      LEU  69  16.366   2.373  -3.854
  516   1HD2  LEU  69          HD21      LEU  69  16.311   3.278  -6.582
  517   2HD2  LEU  69          HD22      LEU  69  17.944   2.813  -7.126
  518   3HD2  LEU  69          HD23      LEU  69  17.002   1.715  -6.106
  519    H    THR  70           H        THR  70  18.699   5.036  -1.666
  520    HA   THR  70           HA       THR  70  21.249   3.570  -1.625
  521    HB   THR  70           HB       THR  70  21.407   4.651   0.758
  522    HG1  THR  70           HG1      THR  70  20.507   6.674   0.900
  523   1HG2  THR  70          HG21      THR  70  21.992   6.259  -1.770
  524   2HG2  THR  70          HG22      THR  70  22.764   6.482  -0.180
  525   3HG2  THR  70          HG23      THR  70  23.014   4.978  -1.084
  526    H    GLU  71           H        GLU  71  21.382   2.251   0.475
  527    HA   GLU  71           HA       GLU  71  19.484   0.359  -0.253
  528   1HB   GLU  71          HB2       GLU  71  21.866   0.001   0.514
  529   2HB   GLU  71          HB3       GLU  71  21.326   0.248   2.178
  530   1HG   GLU  71          HG2       GLU  71  19.796  -1.710   1.950
  531   2HG   GLU  71          HG3       GLU  71  20.322  -1.925   0.277
  532    H    GLU  72           H        GLU  72  19.546   2.468   2.585
  533    HA   GLU  72           HA       GLU  72  17.558   1.109   4.087
  534   1HB   GLU  72          HB2       GLU  72  17.337   3.216   5.334
  535   2HB   GLU  72          HB3       GLU  72  19.016   2.717   5.126
  536   1HG   GLU  72          HG2       GLU  72  19.253   4.380   3.262
  537   2HG   GLU  72          HG3       GLU  72  17.597   4.913   3.556
  538    H    LEU  73           H        LEU  73  17.315   3.511   1.481
  539    HA   LEU  73           HA       LEU  73  14.473   3.853   1.771
  540   1HB   LEU  73          HB2       LEU  73  15.900   5.561   0.696
  541   2HB   LEU  73          HB3       LEU  73  16.336   4.401  -0.567
  542    HG   LEU  73           HG       LEU  73  14.018   4.318  -1.330
  543   1HD1  LEU  73          HD11      LEU  73  13.406   6.461   0.723
  544   2HD1  LEU  73          HD12      LEU  73  12.344   5.951  -0.615
  545   3HD1  LEU  73          HD13      LEU  73  12.737   4.808   0.662
  546   1HD2  LEU  73          HD21      LEU  73  13.955   6.541  -2.369
  547   2HD2  LEU  73          HD22      LEU  73  15.106   7.152  -1.156
  548   3HD2  LEU  73          HD23      LEU  73  15.610   5.919  -2.326
  549    H    MET  74           H        MET  74  16.636   1.824  -0.173
  550    HA   MET  74           HA       MET  74  14.668   0.553  -1.747
  551   1HB   MET  74          HB2       MET  74  16.531  -0.116  -2.717
  552   2HB   MET  74          HB3       MET  74  17.495   0.381  -1.352
  553   1HG   MET  74          HG2       MET  74  18.051  -1.855  -1.791
  554   2HG   MET  74          HG3       MET  74  17.154  -1.839  -0.292
  555   1HE   MET  74          HE1       MET  74  15.967  -1.847  -4.146
  556   2HE   MET  74          HE2       MET  74  17.289  -3.035  -4.035
  557   3HE   MET  74          HE3       MET  74  15.633  -3.580  -4.336
  558    H    GLU  75           H        GLU  75  15.970  -0.281   1.455
  559    HA   GLU  75           HA       GLU  75  14.409  -2.671   1.785
  560   1HB   GLU  75          HB2       GLU  75  15.943  -0.836   3.658
  561   2HB   GLU  75          HB3       GLU  75  15.019  -2.199   4.280
  562   1HG   GLU  75          HG2       GLU  75  17.144  -2.551   2.124
  563   2HG   GLU  75          HG3       GLU  75  17.507  -2.583   3.844
  564    H    SER  76           H        SER  76  13.832   0.771   2.578
  565    HA   SER  76           HA       SER  76  11.465   0.324   4.126
  566   1HB   SER  76          HB2       SER  76  12.290   2.756   2.483
  567   2HB   SER  76          HB3       SER  76  11.038   2.713   3.734
  568    HG   SER  76           HG       SER  76  13.834   2.270   4.036
  569    H    ALA  77           H        ALA  77  11.979   0.787   0.584
  570    HA   ALA  77           HA       ALA  77   9.132   0.992   0.109
  571   1HB   ALA  77          HB1       ALA  77  10.809   2.184  -1.243
  572   2HB   ALA  77          HB2       ALA  77  11.381   0.620  -1.894
  573   3HB   ALA  77          HB3       ALA  77   9.723   1.193  -2.220
  574    H    ASP  78           H        ASP  78   8.090  -0.381  -1.655
  575    HA   ASP  78           HA       ASP  78   8.522  -3.260  -1.030
  576   1HB   ASP  78          HB2       ASP  78   6.403  -2.359  -0.206
  577   2HB   ASP  78          HB3       ASP  78   6.010  -1.763  -1.820
  578    H    LEU  79           H        LEU  79   8.211  -0.853  -3.603
  579    HA   LEU  79           HA       LEU  79   8.917  -2.907  -5.602
  580   1HB   LEU  79          HB2       LEU  79   6.387  -2.225  -5.585
  581   2HB   LEU  79          HB3       LEU  79   6.948  -0.638  -6.070
  582    HG   LEU  79           HG       LEU  79   8.068  -1.768  -8.092
  583   1HD1  LEU  79          HD11      LEU  79   7.073  -3.997  -8.716
  584   2HD1  LEU  79          HD12      LEU  79   8.126  -4.090  -7.295
  585   3HD1  LEU  79          HD13      LEU  79   6.359  -4.097  -7.098
  586   1HD2  LEU  79          HD21      LEU  79   6.053  -1.878  -9.405
  587   2HD2  LEU  79          HD22      LEU  79   5.048  -2.119  -7.971
  588   3HD2  LEU  79          HD23      LEU  79   5.861  -0.566  -8.237
  589    H    VAL  80           H        VAL  80  10.327  -2.100  -7.195
  590    HA   VAL  80           HA       VAL  80  11.030   0.781  -7.103
  591    HB   VAL  80           HB       VAL  80  12.995  -1.536  -7.314
  592   1HG1  VAL  80          HG11      VAL  80  14.739   0.217  -7.134
  593   2HG1  VAL  80          HG12      VAL  80  13.751   0.441  -8.581
  594   3HG1  VAL  80          HG13      VAL  80  13.488   1.472  -7.165
  595   1HG2  VAL  80          HG21      VAL  80  12.294  -1.432  -5.012
  596   2HG2  VAL  80          HG22      VAL  80  13.885  -0.677  -5.109
  597   3HG2  VAL  80          HG23      VAL  80  12.420   0.331  -4.992
  598    H    LEU  81           H        LEU  81  11.273   1.655  -9.167
  599    HA   LEU  81           HA       LEU  81  10.709  -0.162 -11.418
  600   1HB   LEU  81          HB2       LEU  81   8.848   1.532 -10.085
  601   2HB   LEU  81          HB3       LEU  81   9.175   2.281 -11.638
  602    HG   LEU  81           HG       LEU  81   8.550  -0.725 -11.452
  603   1HD1  LEU  81          HD11      LEU  81   6.718   0.613 -10.355
  604   2HD1  LEU  81          HD12      LEU  81   6.546   1.522 -11.875
  605   3HD1  LEU  81          HD13      LEU  81   6.236  -0.238 -11.819
  606   1HD2  LEU  81          HD21      LEU  81   9.539   0.017 -13.511
  607   2HD2  LEU  81          HD22      LEU  81   7.827  -0.360 -13.762
  608   3HD2  LEU  81          HD23      LEU  81   8.351   1.334 -13.627
  609    H    ALA  82           H        ALA  82  12.407   0.032 -12.647
  610    HA   ALA  82           HA       ALA  82  14.041   2.484 -12.535
  611   1HB   ALA  82          HB1       ALA  82  15.097   0.421 -11.675
  612   2HB   ALA  82          HB2       ALA  82  14.790  -0.388 -13.231
  613   3HB   ALA  82          HB3       ALA  82  15.908   0.988 -13.149
  614    H    MET  83           H        MET  83  14.502   3.567 -14.352
  615    HA   MET  83           HA       MET  83  12.780   3.089 -16.551
  616   1HB   MET  83          HB2       MET  83  14.786   5.187 -15.810
  617   2HB   MET  83          HB3       MET  83  14.078   5.201 -17.426
  618   1HG   MET  83          HG2       MET  83  12.864   6.600 -15.678
  619   2HG   MET  83          HG3       MET  83  11.904   5.522 -16.670
  620   1HE   MET  83          HE1       MET  83   9.962   5.688 -13.198
  621   2HE   MET  83          HE2       MET  83  10.959   7.028 -13.813
  622   3HE   MET  83          HE3       MET  83   9.887   6.123 -14.915
  623    H    THR  84           H        THR  84  15.923   1.731 -16.190
  624    HA   THR  84           HA       THR  84  15.612   0.701 -18.899
  625    HB   THR  84           HB       THR  84  17.968   0.946 -19.486
  626    HG1  THR  84           HG1      THR  84  19.255   2.410 -18.227
  627   1HG2  THR  84          HG21      THR  84  16.433   2.761 -20.237
  628   2HG2  THR  84          HG22      THR  84  16.909   3.716 -18.811
  629   3HG2  THR  84          HG23      THR  84  18.111   3.285 -20.044
  630    H    HIS  85           H        HIS  85  16.760  -1.400 -19.129
  631    HA   HIS  85           HA       HIS  85  16.788  -2.841 -16.655
  632   1HB   HIS  85          HB2       HIS  85  16.150  -3.898 -18.788
  633   2HB   HIS  85          HB3       HIS  85  17.800  -3.707 -19.388
  634    HD1  HIS  85           HD1      HIS  85  18.744  -6.172 -19.362
  635    HD2  HIS  85           HD2      HIS  85  16.579  -5.100 -15.926
  636    HE1  HIS  85           HE1      HIS  85  19.004  -8.095 -17.723
  637    H    GLN  86           H        GLN  86  19.255  -1.145 -18.538
  638    HA   GLN  86           HA       GLN  86  21.514  -2.217 -17.179
  639   1HB   GLN  86          HB2       GLN  86  21.755  -0.902 -19.237
  640   2HB   GLN  86          HB3       GLN  86  21.067   0.518 -18.446
  641   1HG   GLN  86          HG2       GLN  86  23.484   0.732 -18.616
  642   2HG   GLN  86          HG3       GLN  86  23.012   0.655 -16.929
  643   1HE2  GLN  86          HE22      GLN  86  23.468  -1.383 -15.713
  644   2HE2  GLN  86          HE21      GLN  86  24.743  -2.438 -16.290
  645    H    HIS  87           H        HIS  87  19.385   0.589 -16.443
  646    HA   HIS  87           HA       HIS  87  20.653   1.269 -14.027
  647   1HB   HIS  87          HB2       HIS  87  19.045   2.633 -15.360
  648   2HB   HIS  87          HB3       HIS  87  17.729   1.599 -14.799
  649    HD1  HIS  87           HD1      HIS  87  18.384   1.493 -11.704
  650    HD2  HIS  87           HD2      HIS  87  18.763   4.852 -14.193
  651    HE1  HIS  87           HE1      HIS  87  18.111   3.518 -10.212
  652    H    LYS  88           H        LYS  88  18.025  -1.084 -14.665
  653    HA   LYS  88           HA       LYS  88  17.636  -1.821 -11.939
  654   1HB   LYS  88          HB2       LYS  88  16.051  -2.446 -13.644
  655   2HB   LYS  88          HB3       LYS  88  17.252  -3.424 -14.483
  656   1HG   LYS  88          HG2       LYS  88  17.251  -5.102 -12.811
  657   2HG   LYS  88          HG3       LYS  88  16.408  -4.088 -11.634
  658   1HD   LYS  88          HD2       LYS  88  14.327  -4.259 -12.806
  659   2HD   LYS  88          HD3       LYS  88  15.089  -4.833 -14.286
  660   1HE   LYS  88          HE2       LYS  88  15.638  -6.962 -13.307
  661   2HE   LYS  88          HE3       LYS  88  15.114  -6.438 -11.698
  662   1HZ   LYS  88          HZ1       LYS  88  12.909  -6.497 -12.332
  663   2HZ   LYS  88          HZ2       LYS  88  13.201  -6.563 -13.966
  664   3HZ   LYS  88          HZ3       LYS  88  13.510  -7.848 -13.005
  665    H    GLN  89           H        GLN  89  20.046  -2.969 -14.299
  666    HA   GLN  89           HA       GLN  89  21.212  -4.867 -12.483
  667   1HB   GLN  89          HB2       GLN  89  22.234  -3.561 -15.029
  668   2HB   GLN  89          HB3       GLN  89  23.165  -4.761 -14.133
  669   1HG   GLN  89          HG2       GLN  89  21.567  -6.487 -14.528
  670   2HG   GLN  89          HG3       GLN  89  20.337  -5.351 -15.084
  671   1HE2  GLN  89          HE22      GLN  89  20.452  -4.467 -17.169
  672   2HE2  GLN  89          HE21      GLN  89  21.536  -5.088 -18.410
  673    H    ILE  90           H        ILE  90  21.875  -1.405 -13.065
  674    HA   ILE  90           HA       ILE  90  24.203  -1.359 -11.416
  675    HB   ILE  90           HB       ILE  90  22.215   0.872 -11.985
  676   1HG1  ILE  90          HG12      ILE  90  25.031   0.486 -13.111
  677   2HG1  ILE  90          HG13      ILE  90  23.611  -0.123 -13.930
  678   1HG2  ILE  90          HG21      ILE  90  23.473   1.346  -9.883
  679   2HG2  ILE  90          HG22      ILE  90  25.000   1.020 -10.719
  680   3HG2  ILE  90          HG23      ILE  90  24.005   2.416 -11.166
  681   1HD1  ILE  90          HD11      ILE  90  24.211   2.800 -13.354
  682   2HD1  ILE  90          HD12      ILE  90  24.167   1.984 -14.923
  683   3HD1  ILE  90          HD13      ILE  90  22.668   2.211 -14.000
  684    H    ILE  91           H        ILE  91  20.737  -0.884 -10.647
  685    HA   ILE  91           HA       ILE  91  21.035  -0.519  -7.853
  686    HB   ILE  91           HB       ILE  91  18.763  -1.805  -9.409
  687   1HG1  ILE  91          HG12      ILE  91  18.969   0.976  -8.166
  688   2HG1  ILE  91          HG13      ILE  91  19.358   0.657  -9.845
  689   1HG2  ILE  91          HG21      ILE  91  18.681  -2.526  -7.018
  690   2HG2  ILE  91          HG22      ILE  91  18.771  -0.819  -6.526
  691   3HG2  ILE  91          HG23      ILE  91  17.362  -1.438  -7.397
  692   1HD1  ILE  91          HD11      ILE  91  16.624   0.239  -8.576
  693   2HD1  ILE  91          HD12      ILE  91  17.094   1.502  -9.703
  694   3HD1  ILE  91          HD13      ILE  91  17.057  -0.184 -10.248
  695    H    ALA  92           H        ALA  92  20.681  -3.478  -9.769
  696    HA   ALA  92           HA       ALA  92  20.807  -5.291  -7.629
  697   1HB   ALA  92          HB1       ALA  92  20.925  -6.991  -9.333
  698   2HB   ALA  92          HB2       ALA  92  20.010  -5.662 -10.081
  699   3HB   ALA  92          HB3       ALA  92  21.720  -5.898 -10.475
  700    H    SER  93           H        SER  93  23.361  -3.421  -8.846
  701    HA   SER  93           HA       SER  93  25.344  -5.374  -7.802
  702   1HB   SER  93          HB2       SER  93  25.754  -3.123  -9.813
  703   2HB   SER  93          HB3       SER  93  26.922  -4.387  -9.369
  704    HG   SER  93           HG       SER  93  24.511  -4.564 -10.839
  705    H    GLN  94           H        GLN  94  24.004  -2.150  -7.326
  706    HA   GLN  94           HA       GLN  94  26.227  -1.434  -5.527
  707   1HB   GLN  94          HB2       GLN  94  25.021   0.549  -4.959
  708   2HB   GLN  94          HB3       GLN  94  25.246   0.406  -6.699
  709   1HG   GLN  94          HG2       GLN  94  22.932  -0.034  -7.055
  710   2HG   GLN  94          HG3       GLN  94  22.626  -0.324  -5.344
  711   1HE2  GLN  94          HE22      GLN  94  21.387   1.300  -4.548
  712   2HE2  GLN  94          HE21      GLN  94  21.648   3.007  -4.795
  713    H    PHE  95           H        PHE  95  22.907  -2.745  -5.319
  714    HA   PHE  95           HA       PHE  95  23.225  -3.011  -2.364
  715   1HB   PHE  95          HB2       PHE  95  20.864  -3.579  -4.176
  716   2HB   PHE  95          HB3       PHE  95  20.860  -3.594  -2.418
  717    HD1  PHE  95           HD1      PHE  95  19.159  -2.007  -4.512
  718    HD2  PHE  95           HD2      PHE  95  22.481  -0.927  -1.971
  719    HE1  PHE  95           HE1      PHE  95  18.285   0.306  -4.326
  720    HE2  PHE  95           HE2      PHE  95  21.658   1.353  -1.858
  721    HZ   PHE  95           HZ       PHE  95  19.490   1.972  -2.928
  722    H    GLY  96           H        GLY  96  23.848  -4.840  -5.147
  723   1HA   GLY  96          HA2       GLY  96  24.243  -7.135  -5.432
  724   2HA   GLY  96          HA3       GLY  96  23.639  -7.466  -3.801
  725    H    ARG  97           H        ARG  97  22.642  -9.064  -5.454
  726    HA   ARG  97           HA       ARG  97  20.616  -8.371  -7.256
  727   1HB   ARG  97          HB2       ARG  97  21.826 -10.863  -6.150
  728   2HB   ARG  97          HB3       ARG  97  20.216 -11.087  -6.784
  729   1HG   ARG  97          HG2       ARG  97  21.929 -11.549  -8.461
  730   2HG   ARG  97          HG3       ARG  97  20.804 -10.281  -8.957
  731   1HD   ARG  97          HD2       ARG  97  22.438  -8.560  -8.457
  732   2HD   ARG  97          HD3       ARG  97  23.587  -9.755  -7.824
  733    HE   ARG  97           HE       ARG  97  23.145 -10.629 -10.369
  734   1HH1  ARG  97          HH21      ARG  97  24.052  -7.454  -9.059
  735   2HH1  ARG  97          HH22      ARG  97  24.962  -6.958 -10.434
  736   1HH2  ARG  97          HH11      ARG  97  24.375  -9.997 -12.228
  737   2HH2  ARG  97          HH12      ARG  97  25.175  -8.472 -12.267
  738    H    TYR  98           H        TYR  98  19.846  -7.133  -4.807
  739    HA   TYR  98           HA       TYR  98  17.271  -8.209  -4.000
  740   1HB   TYR  98          HB2       TYR  98  18.334  -5.362  -4.022
  741   2HB   TYR  98          HB3       TYR  98  16.864  -5.896  -3.222
  742    HD1  TYR  98           HD1      TYR  98  18.779  -8.608  -2.345
  743    HD2  TYR  98           HD2      TYR  98  18.639  -4.335  -1.716
  744    HE1  TYR  98           HE1      TYR  98  20.010  -8.879  -0.235
  745    HE2  TYR  98           HE2      TYR  98  19.867  -4.603   0.407
  746    HH   TYR  98           HH       TYR  98  20.885  -6.107   1.881
  747    H    ARG  99           H        ARG  99  18.224  -7.477  -7.069
  748    HA   ARG  99           HA       ARG  99  16.224  -5.866  -8.150
  749   1HB   ARG  99          HB2       ARG  99  16.662  -6.966 -10.308
  750   2HB   ARG  99          HB3       ARG  99  18.084  -6.386  -9.473
  751   1HG   ARG  99          HG2       ARG  99  18.680  -8.666  -8.792
  752   2HG   ARG  99          HG3       ARG  99  17.200  -9.314  -9.507
  753   1HD   ARG  99          HD2       ARG  99  19.278  -7.775 -11.121
  754   2HD   ARG  99          HD3       ARG  99  19.407  -9.508 -10.844
  755    HE   ARG  99           HE       ARG  99  17.119  -9.715 -11.882
  756   1HH1  ARG  99          HH11      ARG  99  19.367  -7.156 -12.951
  757   2HH1  ARG  99          HH12      ARG  99  18.673  -7.090 -14.553
  758   1HH2  ARG  99          HH21      ARG  99  16.350  -9.638 -14.074
  759   2HH2  ARG  99          HH22      ARG  99  17.019  -8.468 -15.167
  760    H    ASP 100           H        ASP 100  15.673  -8.909  -6.688
  761    HA   ASP 100           HA       ASP 100  13.402  -9.877  -7.990
  762   1HB   ASP 100          HB2       ASP 100  14.440 -10.971  -6.074
  763   2HB   ASP 100          HB3       ASP 100  13.982  -9.630  -5.019
  764    H    LYS 101           H        LYS 101  13.628  -6.922  -5.902
  765    HA   LYS 101           HA       LYS 101  10.716  -6.542  -6.289
  766   1HB   LYS 101          HB2       LYS 101  10.705  -4.951  -4.600
  767   2HB   LYS 101          HB3       LYS 101  11.631  -6.317  -3.992
  768   1HG   LYS 101          HG2       LYS 101  13.721  -5.089  -4.229
  769   2HG   LYS 101          HG3       LYS 101  12.939  -3.813  -5.163
  770   1HD   LYS 101          HD2       LYS 101  13.246  -2.922  -3.000
  771   2HD   LYS 101          HD3       LYS 101  11.520  -3.247  -3.158
  772   1HE   LYS 101          HE2       LYS 101  11.791  -5.355  -1.867
  773   2HE   LYS 101          HE3       LYS 101  13.538  -5.078  -1.781
  774   1HZ   LYS 101          HZ1       LYS 101  13.056  -3.019  -0.539
  775   2HZ   LYS 101          HZ2       LYS 101  11.470  -3.335  -0.538
  776   3HZ   LYS 101          HZ3       LYS 101  12.489  -4.353   0.246
  777    H    VAL 102           H        VAL 102  13.299  -5.842  -8.183
  778    HA   VAL 102           HA       VAL 102  12.430  -3.086  -8.807
  779    HB   VAL 102           HB       VAL 102  14.857  -4.529  -9.902
  780   1HG1  VAL 102          HG11      VAL 102  14.072  -1.571  -9.802
  781   2HG1  VAL 102          HG12      VAL 102  15.609  -2.191 -10.427
  782   3HG1  VAL 102          HG13      VAL 102  14.098  -2.583 -11.249
  783   1HG2  VAL 102          HG21      VAL 102  15.010  -2.451  -7.689
  784   2HG2  VAL 102          HG22      VAL 102  15.114  -4.188  -7.380
  785   3HG2  VAL 102          HG23      VAL 102  16.309  -3.407  -8.435
  786    H    PHE 103           H        PHE 103  11.463  -2.721 -10.815
  787    HA   PHE 103           HA       PHE 103  11.555  -4.886 -12.828
  788   1HB   PHE 103          HB2       PHE 103   9.085  -3.323 -11.999
  789   2HB   PHE 103          HB3       PHE 103   9.229  -4.301 -13.461
  790    HD1  PHE 103           HD1      PHE 103   9.034  -6.705 -13.412
  791    HD2  PHE 103           HD2      PHE 103   9.199  -4.462  -9.729
  792    HE1  PHE 103           HE1      PHE 103   8.372  -8.731 -12.143
  793    HE2  PHE 103           HE2      PHE 103   8.540  -6.494  -8.465
  794    HZ   PHE 103           HZ       PHE 103   8.125  -8.631  -9.669
  795    H    THR 104           H        THR 104  11.745  -4.097 -14.903
  796    HA   THR 104           HA       THR 104  12.725  -1.375 -15.103
  797    HB   THR 104           HB       THR 104  12.050  -3.072 -17.510
  798    HG1  THR 104           HG1      THR 104  13.159  -4.486 -16.016
  799   1HG2  THR 104          HG21      THR 104  14.328  -1.220 -16.793
  800   2HG2  THR 104          HG22      THR 104  14.183  -2.109 -18.334
  801   3HG2  THR 104          HG23      THR 104  12.997  -0.861 -17.912
  802    H    LEU 105           H        LEU 105  11.660   0.327 -16.282
  803    HA   LEU 105           HA       LEU 105   9.015   0.662 -15.640
  804   1HB   LEU 105          HB2       LEU 105  10.641   2.450 -16.201
  805   2HB   LEU 105          HB3       LEU 105  10.439   2.060 -17.916
  806    HG   LEU 105           HG       LEU 105   8.006   2.639 -17.710
  807   1HD1  LEU 105          HD11      LEU 105   7.480   2.294 -15.394
  808   2HD1  LEU 105          HD12      LEU 105   8.793   3.375 -14.855
  809   3HD1  LEU 105          HD13      LEU 105   7.353   4.029 -15.656
  810   1HD2  LEU 105          HD21      LEU 105   8.336   5.044 -17.656
  811   2HD2  LEU 105          HD22      LEU 105   9.834   4.856 -16.728
  812   3HD2  LEU 105          HD23      LEU 105   9.764   4.296 -18.403
  813    H    LYS 106           H        LYS 106  10.162  -0.327 -18.902
  814    HA   LYS 106           HA       LYS 106   7.408  -0.840 -19.750
  815   1HB   LYS 106          HB2       LYS 106  10.112  -1.490 -20.974
  816   2HB   LYS 106          HB3       LYS 106   8.599  -1.986 -21.718
  817   1HG   LYS 106          HG2       LYS 106   9.186   0.933 -21.055
  818   2HG   LYS 106          HG3       LYS 106   9.658   0.185 -22.583
  819   1HD   LYS 106          HD2       LYS 106   7.375  -0.269 -23.203
  820   2HD   LYS 106          HD3       LYS 106   6.786   0.150 -21.603
  821   1HE   LYS 106          HE2       LYS 106   6.233   1.955 -23.064
  822   2HE   LYS 106          HE3       LYS 106   7.465   2.513 -21.933
  823   1HZ   LYS 106          HZ1       LYS 106   7.988   1.718 -24.742
  824   2HZ   LYS 106          HZ2       LYS 106   7.881   3.264 -24.198
  825   3HZ   LYS 106          HZ3       LYS 106   9.104   2.323 -23.686
  826    H    GLU 107           H        GLU 107   9.983  -2.823 -18.258
  827    HA   GLU 107           HA       GLU 107   8.926  -5.369 -18.874
  828   1HB   GLU 107          HB2       GLU 107  11.151  -5.023 -17.921
  829   2HB   GLU 107          HB3       GLU 107  10.423  -4.395 -16.437
  830   1HG   GLU 107          HG2       GLU 107   9.433  -6.658 -16.021
  831   2HG   GLU 107          HG3       GLU 107  10.331  -7.251 -17.427
  832    H    TYR 108           H        TYR 108   8.190  -3.205 -16.090
  833    HA   TYR 108           HA       TYR 108   6.520  -5.007 -14.726
  834   1HB   TYR 108          HB2       TYR 108   7.501  -2.848 -13.862
  835   2HB   TYR 108          HB3       TYR 108   6.271  -1.981 -14.761
  836    HD1  TYR 108           HD1      TYR 108   4.174  -1.543 -13.698
  837    HD2  TYR 108           HD2      TYR 108   6.645  -4.763 -12.246
  838    HE1  TYR 108           HE1      TYR 108   2.629  -1.869 -11.792
  839    HE2  TYR 108           HE2      TYR 108   5.062  -5.162 -10.400
  840    HH   TYR 108           HH       TYR 108   3.005  -4.651  -9.532
  841    H    VAL 109           H        VAL 109   5.810  -2.974 -17.508
  842    HA   VAL 109           HA       VAL 109   2.882  -3.305 -17.115
  843    HB   VAL 109           HB       VAL 109   4.486  -1.320 -18.777
  844   1HG1  VAL 109          HG11      VAL 109   2.393  -0.015 -18.833
  845   2HG1  VAL 109          HG12      VAL 109   2.171  -1.570 -19.626
  846   3HG1  VAL 109          HG13      VAL 109   1.547  -1.329 -17.978
  847   1HG2  VAL 109          HG21      VAL 109   3.771   0.279 -16.955
  848   2HG2  VAL 109          HG22      VAL 109   3.236  -1.115 -16.002
  849   3HG2  VAL 109          HG23      VAL 109   4.953  -0.910 -16.426
  850    H    THR 110           H        THR 110   5.471  -3.970 -19.463
  851    HA   THR 110           HA       THR 110   3.431  -4.926 -21.397
  852    HB   THR 110           HB       THR 110   5.022  -4.432 -23.118
  853    HG1  THR 110           HG1      THR 110   6.806  -3.684 -21.042
  854   1HG2  THR 110          HG21      THR 110   5.210  -2.025 -22.980
  855   2HG2  THR 110          HG22      THR 110   3.673  -2.498 -22.240
  856   3HG2  THR 110          HG23      THR 110   5.050  -2.033 -21.215
  857    H    GLY 111           H        GLY 111   5.795  -6.085 -19.211
  858   1HA   GLY 111          HA2       GLY 111   6.404  -8.246 -18.770
  859   2HA   GLY 111          HA3       GLY 111   5.601  -8.803 -20.244
  860    H    SER 112           H        SER 112   7.707  -6.194 -21.029
  861    HA   SER 112           HA       SER 112  10.026  -7.968 -21.536
  862   1HB   SER 112          HB2       SER 112   8.684  -6.111 -23.550
  863   2HB   SER 112          HB3       SER 112  10.141  -7.080 -23.827
  864    HG   SER 112           HG       SER 112   8.242  -8.071 -24.658
  865    H    HIS 113           H        HIS 113  12.010  -6.910 -21.406
  866    HA   HIS 113           HA       HIS 113  12.186  -4.444 -20.002
  867   1HB   HIS 113          HB2       HIS 113  14.267  -5.891 -21.692
  868   2HB   HIS 113          HB3       HIS 113  14.601  -4.553 -20.600
  869    HD1  HIS 113           HD1      HIS 113  14.064  -5.129 -17.859
  870    HD2  HIS 113           HD2      HIS 113  14.322  -8.296 -20.635
  871    HE1  HIS 113           HE1      HIS 113  14.371  -7.250 -16.505
  872    H    GLY 114           H        GLY 114  12.920  -2.373 -20.739
  873   1HA   GLY 114          HA2       GLY 114  13.300  -1.523 -23.376
  874   2HA   GLY 114          HA3       GLY 114  11.559  -1.445 -23.040
  875    H    ASP 115           H        ASP 115  12.075   0.921 -23.358
  876    HA   ASP 115           HA       ASP 115  12.774   2.288 -20.861
  877   1HB   ASP 115          HB2       ASP 115  14.411   3.655 -21.881
  878   2HB   ASP 115          HB3       ASP 115  14.838   2.014 -22.343
  879    H    VAL 116           H        VAL 116  12.464   4.766 -21.372
  880    HA   VAL 116           HA       VAL 116  10.163   5.348 -23.141
  881    HB   VAL 116           HB       VAL 116  10.446   5.842 -20.151
  882   1HG1  VAL 116          HG11      VAL 116   9.874   8.054 -21.025
  883   2HG1  VAL 116          HG12      VAL 116   8.509   7.368 -21.925
  884   3HG1  VAL 116          HG13      VAL 116   8.516   7.341 -20.157
  885   1HG2  VAL 116          HG21      VAL 116   9.224   3.815 -20.817
  886   2HG2  VAL 116          HG22      VAL 116   8.093   4.989 -20.128
  887   3HG2  VAL 116          HG23      VAL 116   8.172   4.772 -21.881
  888    H    LEU 117           H        LEU 117  10.270   7.615 -23.816
  889    HA   LEU 117           HA       LEU 117  12.701   8.574 -24.641
  890   1HB   LEU 117          HB2       LEU 117  10.264   9.306 -25.142
  891   2HB   LEU 117          HB3       LEU 117  10.446  10.414 -23.795
  892    HG   LEU 117           HG       LEU 117  12.040  10.385 -26.403
  893   1HD1  LEU 117          HD11      LEU 117   9.692  11.154 -26.535
  894   2HD1  LEU 117          HD12      LEU 117  10.044  12.384 -25.301
  895   3HD1  LEU 117          HD13      LEU 117  10.848  12.450 -26.883
  896   1HD2  LEU 117          HD21      LEU 117  12.398  12.233 -24.032
  897   2HD2  LEU 117          HD22      LEU 117  13.624  11.264 -24.897
  898   3HD2  LEU 117          HD23      LEU 117  12.896  12.635 -25.689
  899    H    ASP 118           H        ASP 118  14.409   9.592 -23.721
  900    HA   ASP 118           HA       ASP 118  14.323  10.448 -20.880
  901   1HB   ASP 118          HB2       ASP 118  16.109   8.919 -21.251
  902   2HB   ASP 118          HB3       ASP 118  16.615   9.760 -22.719
  903    HA   PRO 119           HA       PRO 119  14.186  14.352 -23.175
  904   1HB   PRO 119          HB2       PRO 119  12.752  15.886 -21.450
  905   2HB   PRO 119          HB3       PRO 119  11.999  14.556 -22.348
  906   1HG   PRO 119          HG2       PRO 119  13.115  14.481 -19.517
  907   2HG   PRO 119          HG3       PRO 119  11.482  13.973 -20.059
  908   1HD   PRO 119          HD2       PRO 119  13.551  12.201 -19.773
  909   2HD   PRO 119          HD3       PRO 119  12.350  12.035 -21.090
  910    H    PHE 120           H        PHE 120  16.107  13.584 -20.481
  911    HA   PHE 120           HA       PHE 120  16.443  15.845 -19.047
  912   1HB   PHE 120          HB2       PHE 120  17.495  13.725 -18.517
  913   2HB   PHE 120          HB3       PHE 120  18.640  13.924 -19.837
  914    HD1  PHE 120           HD1      PHE 120  17.398  15.797 -16.783
  915    HD2  PHE 120           HD2      PHE 120  20.761  14.821 -19.309
  916    HE1  PHE 120           HE1      PHE 120  18.900  17.052 -15.270
  917    HE2  PHE 120           HE2      PHE 120  22.261  16.078 -17.785
  918    HZ   PHE 120           HZ       PHE 120  21.335  17.196 -15.763
  919    H    GLY 121           H        GLY 121  16.653  17.888 -19.655
  920   1HA   GLY 121          HA2       GLY 121  17.912  19.754 -20.162
  921   2HA   GLY 121          HA3       GLY 121  19.145  18.747 -20.930
  922    H    GLY 122           H        GLY 122  16.046  17.917 -22.139
  923   1HA   GLY 122          HA2       GLY 122  16.523  19.188 -24.724
  924   2HA   GLY 122          HA3       GLY 122  15.199  18.111 -24.258
  925    H    SER 123           H        SER 123  14.346  20.069 -25.733
  926    HA   SER 123           HA       SER 123  13.600  22.501 -24.356
  927   1HB   SER 123          HB2       SER 123  12.319  21.190 -26.791
  928   2HB   SER 123          HB3       SER 123  12.291  22.906 -26.356
  929    HG   SER 123           HG       SER 123  14.527  22.989 -26.769
  930    H    ILE 124           H        ILE 124  11.247  22.991 -23.918
  931    HA   ILE 124           HA       ILE 124   9.979  21.131 -22.257
  932    HB   ILE 124           HB       ILE 124   9.514  23.462 -22.098
  933   1HG1  ILE 124          HG12      ILE 124   7.096  23.596 -21.987
  934   2HG1  ILE 124          HG13      ILE 124   6.908  22.199 -23.042
  935   1HG2  ILE 124          HG21      ILE 124   8.242  24.766 -23.747
  936   2HG2  ILE 124          HG22      ILE 124   9.759  24.202 -24.432
  937   3HG2  ILE 124          HG23      ILE 124   8.234  23.390 -24.861
  938   1HD1  ILE 124          HD11      ILE 124   6.511  21.724 -20.628
  939   2HD1  ILE 124          HD12      ILE 124   7.780  20.711 -21.313
  940   3HD1  ILE 124          HD13      ILE 124   8.213  22.103 -20.287
  941    H    ASP 125           H        ASP 125   9.730  21.506 -25.762
  942    HA   ASP 125           HA       ASP 125   7.502  19.805 -26.143
  943   1HB   ASP 125          HB2       ASP 125   8.415  21.234 -27.926
  944   2HB   ASP 125          HB3       ASP 125   9.881  20.246 -27.982
  945    H    ILE 126           H        ILE 126  10.910  18.992 -25.579
  946    HA   ILE 126           HA       ILE 126  10.603  16.193 -26.327
  947    HB   ILE 126           HB       ILE 126  12.764  17.435 -24.599
  948   1HG1  ILE 126          HG12      ILE 126  12.765  18.692 -26.684
  949   2HG1  ILE 126          HG13      ILE 126  14.153  17.627 -26.619
  950   1HG2  ILE 126          HG21      ILE 126  12.635  14.970 -24.553
  951   2HG2  ILE 126          HG22      ILE 126  12.728  14.905 -26.306
  952   3HG2  ILE 126          HG23      ILE 126  14.111  15.517 -25.366
  953   1HD1  ILE 126          HD11      ILE 126  13.159  17.678 -28.868
  954   2HD1  ILE 126          HD12      ILE 126  13.048  16.046 -28.193
  955   3HD1  ILE 126          HD13      ILE 126  11.613  17.095 -28.233
  956    H    TYR 127           H        TYR 127  10.511  18.117 -23.334
  957    HA   TYR 127           HA       TYR 127  10.008  15.901 -21.596
  958   1HB   TYR 127          HB2       TYR 127   9.603  18.907 -21.400
  959   2HB   TYR 127          HB3       TYR 127   9.032  17.826 -20.141
  960    HD1  TYR 127           HD1      TYR 127  10.513  16.484 -18.838
  961    HD2  TYR 127           HD2      TYR 127  12.102  19.242 -21.705
  962    HE1  TYR 127           HE1      TYR 127  12.729  16.356 -17.704
  963    HE2  TYR 127           HE2      TYR 127  14.320  19.120 -20.618
  964    HH   TYR 127           HH       TYR 127  14.902  17.165 -17.663
  965    H    LYS 128           H        LYS 128   7.925  17.981 -23.539
  966    HA   LYS 128           HA       LYS 128   5.470  16.914 -22.534
  967   1HB   LYS 128          HB2       LYS 128   5.729  19.107 -23.678
  968   2HB   LYS 128          HB3       LYS 128   6.035  18.288 -25.196
  969   1HG   LYS 128          HG2       LYS 128   3.492  17.534 -23.773
  970   2HG   LYS 128          HG3       LYS 128   3.598  19.193 -24.378
  971   1HD   LYS 128          HD2       LYS 128   4.131  18.419 -26.619
  972   2HD   LYS 128          HD3       LYS 128   4.093  16.723 -26.082
  973   1HE   LYS 128          HE2       LYS 128   1.708  16.974 -25.439
  974   2HE   LYS 128          HE3       LYS 128   1.742  18.669 -25.942
  975   1HZ   LYS 128          HZ1       LYS 128   2.171  17.925 -28.210
  976   2HZ   LYS 128          HZ2       LYS 128   2.140  16.354 -27.752
  977   3HZ   LYS 128          HZ3       LYS 128   0.793  17.263 -27.652
  978    H    GLN 129           H        GLN 129   7.507  15.965 -25.307
  979    HA   GLN 129           HA       GLN 129   5.762  13.894 -26.213
  980   1HB   GLN 129          HB2       GLN 129   8.779  14.258 -26.430
  981   2HB   GLN 129          HB3       GLN 129   7.923  12.875 -27.120
  982   1HG   GLN 129          HG2       GLN 129   6.565  14.380 -28.531
  983   2HG   GLN 129          HG3       GLN 129   7.402  15.780 -27.871
  984   1HE2  GLN 129          HE22      GLN 129   8.982  16.552 -29.331
  985   2HE2  GLN 129          HE21      GLN 129   9.961  15.501 -30.328
  986    H    THR 130           H        THR 130   8.326  13.971 -23.754
  987    HA   THR 130           HA       THR 130   8.189  11.215 -23.082
  988    HB   THR 130           HB       THR 130   8.966  13.558 -21.291
  989    HG1  THR 130           HG1      THR 130  10.195  13.554 -23.161
  990   1HG2  THR 130          HG21      THR 130  10.370  11.858 -20.138
  991   2HG2  THR 130          HG22      THR 130   8.656  11.478 -20.005
  992   3HG2  THR 130          HG23      THR 130   9.663  10.593 -21.169
  993    H    ARG 131           H        ARG 131   6.459  14.057 -21.730
  994    HA   ARG 131           HA       ARG 131   5.327  12.536 -19.642
  995   1HB   ARG 131          HB2       ARG 131   4.236  14.382 -18.920
  996   2HB   ARG 131          HB3       ARG 131   5.470  15.159 -19.898
  997   1HG   ARG 131          HG2       ARG 131   3.732  15.382 -21.754
  998   2HG   ARG 131          HG3       ARG 131   2.565  14.631 -20.676
  999   1HD   ARG 131          HD2       ARG 131   2.037  16.801 -20.377
 1000   2HD   ARG 131          HD3       ARG 131   3.147  16.577 -19.023
 1001    HE   ARG 131           HE       ARG 131   4.911  17.550 -20.599
 1002   1HH1  ARG 131          HH21      ARG 131   1.469  18.584 -20.725
 1003   2HH1  ARG 131          HH22      ARG 131   1.909  20.157 -21.366
 1004   1HH2  ARG 131          HH11      ARG 131   5.309  19.727 -21.499
 1005   2HH2  ARG 131          HH12      ARG 131   3.912  20.762 -21.724
 1006    H    ASP 132           H        ASP 132   4.266  13.016 -22.975
 1007    HA   ASP 132           HA       ASP 132   1.649  11.934 -22.630
 1008   1HB   ASP 132          HB2       ASP 132   2.253  13.231 -24.611
 1009   2HB   ASP 132          HB3       ASP 132   3.462  12.030 -25.069
 1010    H    GLU 133           H        GLU 133   4.778  10.409 -23.469
 1011    HA   GLU 133           HA       GLU 133   3.626   7.780 -23.790
 1012   1HB   GLU 133          HB2       GLU 133   5.787   8.350 -24.833
 1013   2HB   GLU 133          HB3       GLU 133   6.504   8.661 -23.241
 1014   1HG   GLU 133          HG2       GLU 133   6.217   6.291 -22.620
 1015   2HG   GLU 133          HG3       GLU 133   5.383   5.974 -24.141
 1016    H    LEU 134           H        LEU 134   5.193   9.538 -21.183
 1017    HA   LEU 134           HA       LEU 134   5.301   7.464 -19.291
 1018   1HB   LEU 134          HB2       LEU 134   6.589   9.629 -19.299
 1019   2HB   LEU 134          HB3       LEU 134   5.091  10.481 -18.912
 1020    HG   LEU 134           HG       LEU 134   5.000   9.348 -16.728
 1021   1HD1  LEU 134          HD11      LEU 134   7.678   8.146 -17.576
 1022   2HD1  LEU 134          HD12      LEU 134   7.017   8.099 -15.929
 1023   3HD1  LEU 134          HD13      LEU 134   6.183   7.243 -17.228
 1024   1HD2  LEU 134          HD21      LEU 134   7.651  10.723 -17.356
 1025   2HD2  LEU 134          HD22      LEU 134   6.119  11.527 -16.956
 1026   3HD2  LEU 134          HD23      LEU 134   6.941  10.540 -15.743
 1027    H    GLU 135           H        GLU 135   2.729   9.868 -19.973
 1028    HA   GLU 135           HA       GLU 135   1.118   9.104 -17.757
 1029   1HB   GLU 135          HB2       GLU 135   0.783  11.209 -19.156
 1030   2HB   GLU 135          HB3       GLU 135   0.136  10.178 -20.439
 1031   1HG   GLU 135          HG2       GLU 135  -1.548   9.320 -18.650
 1032   2HG   GLU 135          HG3       GLU 135  -0.971  10.638 -17.643
 1033    H    GLU 136           H        GLU 136   1.287   7.947 -21.132
 1034    HA   GLU 136           HA       GLU 136  -1.025   6.304 -20.880
 1035   1HB   GLU 136          HB2       GLU 136  -0.079   7.089 -23.049
 1036   2HB   GLU 136          HB3       GLU 136   1.331   6.046 -22.811
 1037   1HG   GLU 136          HG2       GLU 136  -0.119   4.046 -22.866
 1038   2HG   GLU 136          HG3       GLU 136  -1.553   5.066 -22.988
 1039    H    LEU 137           H        LEU 137   2.431   5.693 -20.363
 1040    HA   LEU 137           HA       LEU 137   2.044   2.889 -19.854
 1041   1HB   LEU 137          HB2       LEU 137   4.206   3.747 -20.546
 1042   2HB   LEU 137          HB3       LEU 137   4.336   4.741 -19.093
 1043    HG   LEU 137           HG       LEU 137   3.745   1.885 -18.499
 1044   1HD1  LEU 137          HD11      LEU 137   5.943   0.993 -19.036
 1045   2HD1  LEU 137          HD12      LEU 137   5.103   1.504 -20.499
 1046   3HD1  LEU 137          HD13      LEU 137   6.405   2.524 -19.820
 1047   1HD2  LEU 137          HD21      LEU 137   5.916   3.790 -17.577
 1048   2HD2  LEU 137          HD22      LEU 137   4.388   3.453 -16.745
 1049   3HD2  LEU 137          HD23      LEU 137   5.593   2.171 -16.901
 1050    H    LEU 138           H        LEU 138   2.147   5.799 -17.779
 1051    HA   LEU 138           HA       LEU 138   2.085   4.239 -15.373
 1052   1HB   LEU 138          HB2       LEU 138   1.683   7.178 -15.893
 1053   2HB   LEU 138          HB3       LEU 138   1.509   6.487 -14.292
 1054    HG   LEU 138           HG       LEU 138   4.047   6.270 -15.975
 1055   1HD1  LEU 138          HD11      LEU 138   3.535   8.565 -15.256
 1056   2HD1  LEU 138          HD12      LEU 138   3.429   8.027 -13.565
 1057   3HD1  LEU 138          HD13      LEU 138   4.972   7.929 -14.439
 1058   1HD2  LEU 138          HD21      LEU 138   3.936   4.404 -14.377
 1059   2HD2  LEU 138          HD22      LEU 138   5.174   5.564 -13.921
 1060   3HD2  LEU 138          HD23      LEU 138   3.640   5.543 -13.045
 1061    H    ARG 139           H        ARG 139  -0.441   5.438 -17.497
 1062    HA   ARG 139           HA       ARG 139  -2.595   4.912 -15.659
 1063   1HB   ARG 139          HB2       ARG 139  -2.831   6.322 -17.668
 1064   2HB   ARG 139          HB3       ARG 139  -2.518   4.930 -18.713
 1065   1HG   ARG 139          HG2       ARG 139  -4.571   3.838 -17.954
 1066   2HG   ARG 139          HG3       ARG 139  -4.876   5.126 -16.781
 1067   1HD   ARG 139          HD2       ARG 139  -4.721   5.564 -19.802
 1068   2HD   ARG 139          HD3       ARG 139  -6.213   5.246 -18.927
 1069    HE   ARG 139           HE       ARG 139  -6.071   7.295 -17.778
 1070   1HH1  ARG 139          HH11      ARG 139  -3.590   7.107 -20.366
 1071   2HH1  ARG 139          HH12      ARG 139  -3.338   8.844 -20.330
 1072   1HH2  ARG 139          HH21      ARG 139  -5.680   9.588 -17.912
 1073   2HH2  ARG 139          HH22      ARG 139  -4.466  10.160 -19.040
 1074    H    GLN 140           H        GLN 140  -0.914   2.919 -18.109
 1075    HA   GLN 140           HA       GLN 140  -2.436   0.565 -17.486
 1076   1HB   GLN 140          HB2       GLN 140   0.322   0.850 -18.707
 1077   2HB   GLN 140          HB3       GLN 140  -0.593  -0.669 -18.574
 1078   1HG   GLN 140          HG2       GLN 140  -2.312   0.174 -20.065
 1079   2HG   GLN 140          HG3       GLN 140  -1.517   1.753 -20.156
 1080   1HE2  GLN 140          HE22      GLN 140  -0.820  -1.776 -20.745
 1081   2HE2  GLN 140          HE21      GLN 140   0.243  -1.491 -22.096
 1082    H    LEU 141           H        LEU 141   0.485   2.015 -16.076
 1083    HA   LEU 141           HA       LEU 141   1.194  -0.127 -14.396
 1084   1HB   LEU 141          HB2       LEU 141   2.301   2.229 -14.878
 1085   2HB   LEU 141          HB3       LEU 141   1.433   2.720 -13.427
 1086    HG   LEU 141           HG       LEU 141   2.752   0.212 -12.901
 1087   1HD1  LEU 141          HD11      LEU 141   5.012   0.611 -13.421
 1088   2HD1  LEU 141          HD12      LEU 141   4.167   1.055 -14.891
 1089   3HD1  LEU 141          HD13      LEU 141   4.739   2.323 -13.801
 1090   1HD2  LEU 141          HD21      LEU 141   3.343   3.001 -11.845
 1091   2HD2  LEU 141          HD22      LEU 141   2.180   1.841 -11.168
 1092   3HD2  LEU 141          HD23      LEU 141   3.909   1.468 -11.143
 1093    H    ALA 142           H        ALA 142  -1.109   2.548 -13.893
 1094    HA   ALA 142           HA       ALA 142  -1.920   1.774 -11.277
 1095   1HB   ALA 142          HB1       ALA 142  -2.373   3.996 -12.182
 1096   2HB   ALA 142          HB2       ALA 142  -3.476   3.311 -13.399
 1097   3HB   ALA 142          HB3       ALA 142  -3.876   3.206 -11.678
 1098    H    LYS 143           H        LYS 143  -3.102   0.828 -14.519
 1099    HA   LYS 143           HA       LYS 143  -5.177  -0.885 -13.596
 1100   1HB   LYS 143          HB2       LYS 143  -3.419  -1.306 -16.048
 1101   2HB   LYS 143          HB3       LYS 143  -4.868  -2.215 -15.667
 1102   1HG   LYS 143          HG2       LYS 143  -6.257  -0.223 -15.838
 1103   2HG   LYS 143          HG3       LYS 143  -4.836   0.797 -16.117
 1104   1HD   LYS 143          HD2       LYS 143  -4.305  -0.493 -18.180
 1105   2HD   LYS 143          HD3       LYS 143  -5.745  -1.482 -17.939
 1106   1HE   LYS 143          HE2       LYS 143  -5.751   1.551 -18.317
 1107   2HE   LYS 143          HE3       LYS 143  -6.001   0.382 -19.615
 1108   1HZ   LYS 143          HZ1       LYS 143  -7.776   0.699 -17.263
 1109   2HZ   LYS 143          HZ2       LYS 143  -8.099   1.183 -18.783
 1110   3HZ   LYS 143          HZ3       LYS 143  -7.980  -0.405 -18.455
 1111    H    GLN 144           H        GLN 144  -1.665  -1.548 -13.964
 1112    HA   GLN 144           HA       GLN 144  -1.873  -4.250 -13.078
 1113   1HB   GLN 144          HB2       GLN 144   0.543  -2.522 -12.484
 1114   2HB   GLN 144          HB3       GLN 144   0.447  -4.268 -12.575
 1115   1HG   GLN 144          HG2       GLN 144   0.570  -2.259 -14.788
 1116   2HG   GLN 144          HG3       GLN 144   1.533  -3.692 -14.540
 1117   1HE2  GLN 144          HE22      GLN 144  -0.872  -2.373 -16.396
 1118   2HE2  GLN 144          HE21      GLN 144  -1.550  -3.841 -17.082
 1119    H    LEU 145           H        LEU 145  -1.374  -1.204 -11.176
 1120    HA   LEU 145           HA       LEU 145  -1.088  -2.575  -8.713
 1121   1HB   LEU 145          HB2       LEU 145  -2.164   0.231  -9.092
 1122   2HB   LEU 145          HB3       LEU 145  -1.620  -0.497  -7.587
 1123    HG   LEU 145           HG       LEU 145   0.000   0.495  -9.906
 1124   1HD1  LEU 145          HD11      LEU 145   1.133   1.717  -8.208
 1125   2HD1  LEU 145          HD12      LEU 145  -0.590   1.827  -7.815
 1126   3HD1  LEU 145          HD13      LEU 145   0.443   0.712  -6.908
 1127   1HD2  LEU 145          HD21      LEU 145   1.025  -1.527  -7.863
 1128   2HD2  LEU 145          HD22      LEU 145   0.980  -1.724  -9.627
 1129   3HD2  LEU 145          HD23      LEU 145   2.058  -0.527  -8.912
 1130    H    LYS 146           H        LYS 146  -4.017  -1.547 -10.443
 1131    HA   LYS 146           HA       LYS 146  -5.763  -2.277  -8.189
 1132   1HB   LYS 146          HB2       LYS 146  -6.147  -1.137 -10.961
 1133   2HB   LYS 146          HB3       LYS 146  -7.540  -1.836 -10.089
 1134   1HG   LYS 146          HG2       LYS 146  -7.169  -0.332  -8.203
 1135   2HG   LYS 146          HG3       LYS 146  -5.652   0.210  -8.901
 1136   1HD   LYS 146          HD2       LYS 146  -7.202   1.956  -9.203
 1137   2HD   LYS 146          HD3       LYS 146  -6.904   1.261 -10.798
 1138   1HE   LYS 146          HE2       LYS 146  -9.051   0.125 -10.761
 1139   2HE   LYS 146          HE3       LYS 146  -9.290   0.503  -9.049
 1140   1HZ   LYS 146          HZ1       LYS 146  -9.135   2.560 -11.185
 1141   2HZ   LYS 146          HZ2       LYS 146 -10.535   1.983 -10.545
 1142   3HZ   LYS 146          HZ3       LYS 146  -9.495   2.832  -9.607
 1143    H    LYS 147           H        LYS 147  -4.427  -3.892 -11.031
 1144    HA   LYS 147           HA       LYS 147  -6.138  -6.201 -10.915
 1145   1HB   LYS 147          HB2       LYS 147  -4.770  -5.566 -12.875
 1146   2HB   LYS 147          HB3       LYS 147  -3.294  -5.836 -11.946
 1147   1HG   LYS 147          HG2       LYS 147  -4.004  -8.266 -11.692
 1148   2HG   LYS 147          HG3       LYS 147  -5.293  -7.932 -12.858
 1149   1HD   LYS 147          HD2       LYS 147  -2.294  -7.540 -13.316
 1150   2HD   LYS 147          HD3       LYS 147  -3.230  -8.934 -13.865
 1151   1HE   LYS 147          HE2       LYS 147  -4.565  -7.554 -15.356
 1152   2HE   LYS 147          HE3       LYS 147  -3.831  -6.071 -14.733
 1153   1HZ   LYS 147          HZ1       LYS 147  -2.300  -8.176 -16.142
 1154   2HZ   LYS 147          HZ2       LYS 147  -2.871  -6.827 -16.852
 1155   3HZ   LYS 147          HZ3       LYS 147  -1.741  -6.696 -15.678
 1156    H    ASP 148           H        ASP 148  -2.920  -5.414  -9.412
 1157    HA   ASP 148           HA       ASP 148  -3.266  -7.683  -7.520
 1158   1HB   ASP 148          HB2       ASP 148  -1.979  -8.247  -9.742
 1159   2HB   ASP 148          HB3       ASP 148  -0.681  -7.275  -9.045
 1160    H    ARG 149           H        ARG 149  -1.804  -7.520  -5.701
 1161    HA   ARG 149           HA       ARG 149  -1.684  -4.868  -4.625
 1162   1HB   ARG 149          HB2       ARG 149  -1.766  -7.369  -3.568
 1163   2HB   ARG 149          HB3       ARG 149  -0.039  -7.099  -3.420
 1164   1HG   ARG 149          HG2       ARG 149  -2.221  -5.253  -2.337
 1165   2HG   ARG 149          HG3       ARG 149  -1.481  -6.545  -1.407
 1166   1HD   ARG 149          HD2       ARG 149   0.000  -4.117  -2.493
 1167   2HD   ARG 149          HD3       ARG 149  -0.587  -4.317  -0.860
 1168    HE   ARG 149           HE       ARG 149   0.878  -6.285  -0.606
 1169   1HH1  ARG 149          HH21      ARG 149   1.834  -4.036  -3.214
 1170   2HH1  ARG 149          HH22      ARG 149   3.533  -4.131  -2.800
 1171   1HH2  ARG 149          HH11      ARG 149   3.141  -6.469  -0.220
 1172   2HH2  ARG 149          HH12      ARG 149   4.267  -5.501  -1.121
 1173    H    ARG 150           H        ARG 150   0.630  -6.851  -6.367
 1174    HA   ARG 150           HA       ARG 150   2.201  -4.610  -7.030
 1175   1HB   ARG 150          HB2       ARG 150   4.422  -5.704  -6.367
 1176   2HB   ARG 150          HB3       ARG 150   3.541  -4.814  -5.153
 1177   1HG   ARG 150          HG2       ARG 150   4.525  -6.737  -4.163
 1178   2HG   ARG 150          HG3       ARG 150   2.776  -6.892  -4.091
 1179   1HD   ARG 150          HD2       ARG 150   4.230  -8.212  -6.378
 1180   2HD   ARG 150          HD3       ARG 150   4.406  -8.913  -4.775
 1181    HE   ARG 150           HE       ARG 150   1.945  -8.674  -6.393
 1182   1HH1  ARG 150          HH21      ARG 150   3.452  -9.881  -3.390
 1183   2HH1  ARG 150          HH22      ARG 150   2.073 -10.781  -2.885
 1184   1HH2  ARG 150          HH11      ARG 150   0.061  -9.799  -5.647
 1185   2HH2  ARG 150          HH12      ARG 150   0.136 -10.790  -4.225
  Start of MODEL   14
    1   1H    MET   1           H1       MET   1   1.316   0.429   0.206
    2   2H    MET   1           H2       MET   1   1.399  -1.204   0.370
    3   3H    MET   1           H3       MET   1   2.632  -0.255   0.888
    4    HA   MET   1           HA       MET   1   3.273  -1.288  -1.156
    5   1HB   MET   1          HB2       MET   1   1.015  -1.652  -2.064
    6   2HB   MET   1          HB3       MET   1   0.784   0.085  -2.286
    7   1HG   MET   1          HG2       MET   1   1.364  -1.148  -4.363
    8   2HG   MET   1          HG3       MET   1   2.489   0.158  -4.010
    9   1HE   MET   1          HE1       MET   1   4.206  -3.139  -5.788
   10   2HE   MET   1          HE2       MET   1   2.457  -2.870  -5.750
   11   3HE   MET   1          HE3       MET   1   3.551  -1.521  -6.151
   12    H    ASP   2           H        ASP   2   5.114  -0.150  -1.774
   13    HA   ASP   2           HA       ASP   2   4.928   2.762  -2.106
   14   1HB   ASP   2          HB2       ASP   2   5.604   2.514   0.199
   15   2HB   ASP   2          HB3       ASP   2   6.862   1.363  -0.258
   16    H    ILE   3           H        ILE   3   6.046   3.376  -3.887
   17    HA   ILE   3           HA       ILE   3   7.677   1.299  -5.250
   18    HB   ILE   3           HB       ILE   3   6.071   3.455  -6.608
   19   1HG1  ILE   3          HG12      ILE   3   5.086   0.625  -6.074
   20   2HG1  ILE   3          HG13      ILE   3   4.475   2.086  -5.308
   21   1HG2  ILE   3          HG21      ILE   3   7.321   0.896  -7.655
   22   2HG2  ILE   3          HG22      ILE   3   6.296   1.993  -8.609
   23   3HG2  ILE   3          HG23      ILE   3   7.832   2.558  -7.988
   24   1HD1  ILE   3          HD11      ILE   3   2.927   1.533  -6.976
   25   2HD1  ILE   3          HD12      ILE   3   3.787   2.964  -7.559
   26   3HD1  ILE   3          HD13      ILE   3   4.165   1.356  -8.227
   27    H    ILE   4           H        ILE   4   9.754   1.963  -6.025
   28    HA   ILE   4           HA       ILE   4  10.380   4.870  -5.831
   29    HB   ILE   4           HB       ILE   4  12.380   2.598  -5.851
   30   1HG1  ILE   4          HG12      ILE   4  11.559   4.194  -3.399
   31   2HG1  ILE   4          HG13      ILE   4  10.948   2.581  -3.763
   32   1HG2  ILE   4          HG21      ILE   4  13.990   4.349  -5.228
   33   2HG2  ILE   4          HG22      ILE   4  13.175   4.821  -6.698
   34   3HG2  ILE   4          HG23      ILE   4  12.695   5.560  -5.159
   35   1HD1  ILE   4          HD11      ILE   4  12.795   2.463  -2.195
   36   2HD1  ILE   4          HD12      ILE   4  13.222   1.644  -3.705
   37   3HD1  ILE   4          HD13      ILE   4  13.880   3.247  -3.340
   38    H    PHE   5           H        PHE   5  10.242   5.813  -7.768
   39    HA   PHE   5           HA       PHE   5  10.810   4.402 -10.274
   40   1HB   PHE   5          HB2       PHE   5  10.179   7.309  -9.549
   41   2HB   PHE   5          HB3       PHE   5  10.497   6.763 -11.182
   42    HD1  PHE   5           HD1      PHE   5   8.990   4.793 -12.095
   43    HD2  PHE   5           HD2      PHE   5   7.946   7.301  -8.739
   44    HE1  PHE   5           HE1      PHE   5   6.600   4.225 -12.408
   45    HE2  PHE   5           HE2      PHE   5   5.553   6.709  -9.057
   46    HZ   PHE   5           HZ       PHE   5   4.878   5.167 -10.882
   47    H    VAL   6           H        VAL   6  12.915   4.430 -11.188
   48    HA   VAL   6           HA       VAL   6  14.835   6.348 -10.062
   49    HB   VAL   6           HB       VAL   6  14.998   4.678  -8.479
   50   1HG1  VAL   6          HG11      VAL   6  15.380   2.319  -8.861
   51   2HG1  VAL   6          HG12      VAL   6  13.851   2.824  -9.575
   52   3HG1  VAL   6          HG13      VAL   6  15.275   2.552 -10.617
   53   1HG2  VAL   6          HG21      VAL   6  17.292   3.844  -8.680
   54   2HG2  VAL   6          HG22      VAL   6  17.306   4.207 -10.407
   55   3HG2  VAL   6          HG23      VAL   6  17.156   5.515  -9.206
   56    H    CYS   7           H        CYS   7  16.162   7.219 -11.377
   57    HA   CYS   7           HA       CYS   7  16.911   5.992 -13.956
   58   1HB   CYS   7          HB2       CYS   7  14.800   7.417 -14.163
   59   2HB   CYS   7          HB3       CYS   7  15.749   8.791 -13.586
   60    HG   CYS   7           HG       CYS   7  16.461   6.851 -16.195
   61    H    THR   8           H        THR   8  19.051   6.780 -14.606
   62    HA   THR   8           HA       THR   8  20.759   7.801 -12.583
   63    HB   THR   8           HB       THR   8  22.163   8.454 -14.728
   64    HG1  THR   8           HG1      THR   8  20.476   8.320 -16.218
   65   1HG2  THR   8          HG21      THR   8  22.745   6.020 -15.067
   66   2HG2  THR   8          HG22      THR   8  22.782   6.574 -13.389
   67   3HG2  THR   8          HG23      THR   8  21.410   5.605 -13.962
   68    H    GLY   9           H        GLY   9  21.288   9.878 -11.947
   69   1HA   GLY   9          HA2       GLY   9  21.322  12.170 -11.910
   70   2HA   GLY   9          HA3       GLY   9  20.499  12.221 -13.474
   71    H    ASN  10           H        ASN  10  18.448  10.264 -11.938
   72    HA   ASN  10           HA       ASN  10  16.448  10.347 -11.017
   73   1HB   ASN  10          HB2       ASN  10  17.513  10.933  -8.957
   74   2HB   ASN  10          HB3       ASN  10  17.596  12.637  -9.388
   75   1HD2  ASN  10          HD22      ASN  10  15.681  13.967  -9.088
   76   2HD2  ASN  10          HD21      ASN  10  14.357  13.300  -8.143
   77    H    THR  11           H        THR  11  17.254  13.851 -11.583
   78    HA   THR  11           HA       THR  11  14.536  14.610 -11.910
   79    HB   THR  11           HB       THR  11  15.597  16.714 -12.815
   80    HG1  THR  11           HG1      THR  11  17.852  16.801 -12.779
   81   1HG2  THR  11          HG21      THR  11  15.248  16.334 -10.355
   82   2HG2  THR  11          HG22      THR  11  16.902  15.672 -10.254
   83   3HG2  THR  11          HG23      THR  11  16.645  17.361 -10.710
   84    H    CYS  12           H        CYS  12  16.752  13.141 -14.143
   85    HA   CYS  12           HA       CYS  12  15.855  13.875 -16.635
   86   1HB   CYS  12          HB2       CYS  12  16.598  11.073 -15.689
   87   2HB   CYS  12          HB3       CYS  12  16.680  11.675 -17.354
   88    HG   CYS  12           HG       CYS  12  18.995  11.412 -15.730
   89    H    ARG  13           H        ARG  13  14.221  11.583 -14.380
   90    HA   ARG  13           HA       ARG  13  11.763  12.292 -15.589
   91   1HB   ARG  13          HB2       ARG  13  12.867  10.262 -17.105
   92   2HB   ARG  13          HB3       ARG  13  11.925   9.328 -15.945
   93   1HG   ARG  13          HG2       ARG  13   9.935  10.836 -16.501
   94   2HG   ARG  13          HG3       ARG  13  10.925  11.578 -17.762
   95   1HD   ARG  13          HD2       ARG  13  10.028   8.674 -17.598
   96   2HD   ARG  13          HD3       ARG  13   9.411   9.900 -18.690
   97    HE   ARG  13           HE       ARG  13  11.405   9.889 -19.960
   98   1HH1  ARG  13          HH21      ARG  13  11.235   7.216 -17.618
   99   2HH1  ARG  13          HH22      ARG  13  12.366   6.246 -18.541
  100   1HH2  ARG  13          HH11      ARG  13  12.981   8.618 -20.976
  101   2HH2  ARG  13          HH12      ARG  13  13.534   7.121 -20.275
  102    H    SER  14           H        SER  14  13.478  10.474 -13.071
  103    HA   SER  14           HA       SER  14  11.462   8.946 -12.033
  104   1HB   SER  14          HB2       SER  14  13.456  10.512 -10.385
  105   2HB   SER  14          HB3       SER  14  12.638   9.008  -9.944
  106    HG   SER  14           HG       SER  14  14.767   8.703 -10.657
  107    HA   PRO  15           HA       PRO  15   9.606  12.366  -9.368
  108   1HB   PRO  15          HB2       PRO  15  10.021  15.021  -9.751
  109   2HB   PRO  15          HB3       PRO  15  11.085  13.977  -8.763
  110   1HG   PRO  15          HG2       PRO  15  11.489  14.824 -11.649
  111   2HG   PRO  15          HG3       PRO  15  12.672  14.890 -10.303
  112   1HD   PRO  15          HD2       PRO  15  12.618  12.832 -12.074
  113   2HD   PRO  15          HD3       PRO  15  12.994  12.560 -10.346
  114    H    MET  16           H        MET  16   9.905  12.999 -12.867
  115    HA   MET  16           HA       MET  16   7.307  14.211 -13.137
  116   1HB   MET  16          HB2       MET  16   8.903  12.530 -15.128
  117   2HB   MET  16          HB3       MET  16   7.445  13.438 -15.502
  118   1HG   MET  16          HG2       MET  16   8.562  15.546 -15.101
  119   2HG   MET  16          HG3       MET  16   9.989  14.728 -14.463
  120   1HE   MET  16          HE1       MET  16   8.788  14.712 -18.961
  121   2HE   MET  16          HE2       MET  16   7.972  13.609 -17.827
  122   3HE   MET  16          HE3       MET  16   7.790  15.376 -17.650
  123    H    ALA  17           H        ALA  17   8.584  10.877 -13.275
  124    HA   ALA  17           HA       ALA  17   6.070   9.682 -13.796
  125   1HB   ALA  17          HB1       ALA  17   7.176   7.560 -13.200
  126   2HB   ALA  17          HB2       ALA  17   8.266   8.543 -14.201
  127   3HB   ALA  17          HB3       ALA  17   8.515   8.440 -12.445
  128    H    GLU  18           H        GLU  18   7.786  10.337 -10.748
  129    HA   GLU  18           HA       GLU  18   5.887   9.104  -9.063
  130   1HB   GLU  18          HB2       GLU  18   8.202   9.887  -8.452
  131   2HB   GLU  18          HB3       GLU  18   7.579  11.553  -8.395
  132   1HG   GLU  18          HG2       GLU  18   5.844  10.605  -6.715
  133   2HG   GLU  18          HG3       GLU  18   6.883   9.174  -6.654
  134    H    ALA  19           H        ALA  19   6.048  12.446 -10.313
  135    HA   ALA  19           HA       ALA  19   3.829  13.371  -8.788
  136   1HB   ALA  19          HB1       ALA  19   5.010  14.427 -11.407
  137   2HB   ALA  19          HB2       ALA  19   3.998  15.345 -10.280
  138   3HB   ALA  19          HB3       ALA  19   5.600  14.827  -9.777
  139    H    LEU  20           H        LEU  20   4.123  12.051 -12.068
  140    HA   LEU  20           HA       LEU  20   1.358  12.451 -12.712
  141   1HB   LEU  20          HB2       LEU  20   3.664  11.140 -14.006
  142   2HB   LEU  20          HB3       LEU  20   2.187  10.211 -14.179
  143    HG   LEU  20           HG       LEU  20   2.445  13.116 -15.019
  144   1HD1  LEU  20          HD11      LEU  20   3.798  11.605 -16.387
  145   2HD1  LEU  20          HD12      LEU  20   2.395  10.549 -16.641
  146   3HD1  LEU  20          HD13      LEU  20   2.408  12.200 -17.300
  147   1HD2  LEU  20          HD21      LEU  20   0.267  12.507 -16.236
  148   2HD2  LEU  20          HD22      LEU  20   0.190  11.070 -15.201
  149   3HD2  LEU  20          HD23      LEU  20   0.123  12.689 -14.486
  150    H    PHE  21           H        PHE  21   3.186   9.720 -11.273
  151    HA   PHE  21           HA       PHE  21   0.870   8.059 -11.346
  152   1HB   PHE  21          HB2       PHE  21   3.268   7.201 -11.161
  153   2HB   PHE  21          HB3       PHE  21   3.147   7.547  -9.428
  154    HD1  PHE  21           HD1      PHE  21   1.614   5.691 -12.278
  155    HD2  PHE  21           HD2      PHE  21   1.724   6.083  -7.994
  156    HE1  PHE  21           HE1      PHE  21   0.084   3.777 -12.068
  157    HE2  PHE  21           HE2      PHE  21   0.209   4.108  -7.804
  158    HZ   PHE  21           HZ       PHE  21  -0.625   2.977  -9.832
  159    H    LYS  22           H        LYS  22   2.138  10.281  -8.845
  160    HA   LYS  22           HA       LYS  22   0.185   9.557  -6.891
  161   1HB   LYS  22          HB2       LYS  22   1.671  12.161  -7.426
  162   2HB   LYS  22          HB3       LYS  22   0.506  11.992  -6.098
  163   1HG   LYS  22          HG2       LYS  22   1.745  10.026  -5.213
  164   2HG   LYS  22          HG3       LYS  22   2.915  10.194  -6.504
  165   1HD   LYS  22          HD2       LYS  22   2.443  12.239  -4.300
  166   2HD   LYS  22          HD3       LYS  22   3.750  11.044  -4.365
  167   1HE   LYS  22          HE2       LYS  22   4.392  12.081  -6.629
  168   2HE   LYS  22          HE3       LYS  22   3.298  13.411  -6.217
  169   1HZ   LYS  22          HZ1       LYS  22   4.669  13.689  -4.157
  170   2HZ   LYS  22          HZ2       LYS  22   5.740  12.576  -4.743
  171   3HZ   LYS  22          HZ3       LYS  22   5.499  13.987  -5.527
  172    H    SER  23           H        SER  23   0.060  11.930  -9.567
  173    HA   SER  23           HA       SER  23  -2.594  12.728  -8.960
  174   1HB   SER  23          HB2       SER  23  -1.193  12.741 -11.664
  175   2HB   SER  23          HB3       SER  23  -2.578  13.744 -11.171
  176    HG   SER  23           HG       SER  23   0.098  13.797 -10.215
  177    H    ILE  24           H        ILE  24  -1.415  10.064 -11.014
  178    HA   ILE  24           HA       ILE  24  -4.016   9.313 -11.931
  179    HB   ILE  24           HB       ILE  24  -1.362   7.866 -11.855
  180   1HG1  ILE  24          HG12      ILE  24  -3.066   8.813 -14.211
  181   2HG1  ILE  24          HG13      ILE  24  -1.856   9.843 -13.455
  182   1HG2  ILE  24          HG21      ILE  24  -3.092   6.120 -11.678
  183   2HG2  ILE  24          HG22      ILE  24  -3.988   6.831 -13.032
  184   3HG2  ILE  24          HG23      ILE  24  -2.387   6.090 -13.283
  185   1HD1  ILE  24          HD11      ILE  24  -0.888   8.815 -15.412
  186   2HD1  ILE  24          HD12      ILE  24  -0.089   8.187 -13.964
  187   3HD1  ILE  24          HD13      ILE  24  -1.288   7.199 -14.841
  188    H    ALA  25           H        ALA  25  -2.042   8.317  -9.122
  189    HA   ALA  25           HA       ALA  25  -3.806   6.260  -8.315
  190   1HB   ALA  25          HB1       ALA  25  -1.505   6.444  -7.425
  191   2HB   ALA  25          HB2       ALA  25  -1.929   7.969  -6.610
  192   3HB   ALA  25          HB3       ALA  25  -2.687   6.448  -6.097
  193    H    GLU  26           H        GLU  26  -3.709   9.734  -7.550
  194    HA   GLU  26           HA       GLU  26  -5.919   9.677  -5.782
  195   1HB   GLU  26          HB2       GLU  26  -4.265  11.529  -5.967
  196   2HB   GLU  26          HB3       GLU  26  -4.918  11.953  -7.556
  197   1HG   GLU  26          HG2       GLU  26  -7.102  12.491  -6.531
  198   2HG   GLU  26          HG3       GLU  26  -6.508  11.969  -4.952
  199    H    ARG  27           H        ARG  27  -5.772  10.106  -9.345
  200    HA   ARG  27           HA       ARG  27  -8.590  10.639  -9.505
  201   1HB   ARG  27          HB2       ARG  27  -8.388  10.890 -11.730
  202   2HB   ARG  27          HB3       ARG  27  -6.737  11.208 -11.219
  203   1HG   ARG  27          HG2       ARG  27  -6.133   8.872 -11.975
  204   2HG   ARG  27          HG3       ARG  27  -7.798   8.647 -12.497
  205   1HD   ARG  27          HD2       ARG  27  -6.459   9.180 -14.392
  206   2HD   ARG  27          HD3       ARG  27  -7.533  10.552 -14.081
  207    HE   ARG  27           HE       ARG  27  -5.303  11.324 -12.756
  208   1HH1  ARG  27          HH21      ARG  27  -5.756  10.166 -16.124
  209   2HH1  ARG  27          HH22      ARG  27  -4.334  11.037 -16.681
  210   1HH2  ARG  27          HH11      ARG  27  -3.460  12.502 -13.706
  211   2HH2  ARG  27          HH12      ARG  27  -3.135  12.249 -15.411
  212    H    GLU  28           H        GLU  28  -6.682   7.709  -9.677
  213    HA   GLU  28           HA       GLU  28  -8.906   5.986 -10.403
  214   1HB   GLU  28          HB2       GLU  28  -6.046   5.484  -9.469
  215   2HB   GLU  28          HB3       GLU  28  -7.160   4.177  -9.810
  216   1HG   GLU  28          HG2       GLU  28  -6.278   6.293 -11.817
  217   2HG   GLU  28          HG3       GLU  28  -5.705   4.633 -11.733
  218    H    GLY  29           H        GLY  29  -7.571   7.119  -7.338
  219   1HA   GLY  29          HA2       GLY  29  -8.477   6.856  -5.218
  220   2HA   GLY  29          HA3       GLY  29  -9.616   5.638  -5.814
  221    H    LEU  30           H        LEU  30  -6.130   5.511  -6.498
  222    HA   LEU  30           HA       LEU  30  -5.840   2.949  -5.037
  223   1HB   LEU  30          HB2       LEU  30  -4.224   4.479  -7.078
  224   2HB   LEU  30          HB3       LEU  30  -3.383   3.358  -6.019
  225    HG   LEU  30           HG       LEU  30  -5.835   2.493  -7.599
  226   1HD1  LEU  30          HD11      LEU  30  -4.348   1.561  -9.312
  227   2HD1  LEU  30          HD12      LEU  30  -4.185   3.324  -9.217
  228   3HD1  LEU  30          HD13      LEU  30  -2.935   2.284  -8.499
  229   1HD2  LEU  30          HD21      LEU  30  -3.496   0.940  -6.386
  230   2HD2  LEU  30          HD22      LEU  30  -5.155   0.984  -5.754
  231   3HD2  LEU  30          HD23      LEU  30  -4.829   0.232  -7.314
  232    H    ASN  31           H        ASN  31  -3.909   2.799  -3.558
  233    HA   ASN  31           HA       ASN  31  -3.711   5.239  -1.857
  234   1HB   ASN  31          HB2       ASN  31  -4.215   3.959   0.049
  235   2HB   ASN  31          HB3       ASN  31  -5.454   3.549  -1.126
  236   1HD2  ASN  31          HD22      ASN  31  -4.388   2.005   1.266
  237   2HD2  ASN  31          HD21      ASN  31  -3.901   0.462   0.615
  238    H    VAL  32           H        VAL  32  -1.708   4.189  -3.757
  239    HA   VAL  32           HA       VAL  32   0.388   2.798  -2.390
  240    HB   VAL  32           HB       VAL  32   1.763   3.493  -4.291
  241   1HG1  VAL  32          HG11      VAL  32   0.151   1.619  -4.601
  242   2HG1  VAL  32          HG12      VAL  32  -1.010   2.761  -5.320
  243   3HG1  VAL  32          HG13      VAL  32   0.564   2.479  -6.092
  244   1HG2  VAL  32          HG21      VAL  32   0.886   5.859  -4.515
  245   2HG2  VAL  32          HG22      VAL  32   1.026   4.975  -6.018
  246   3HG2  VAL  32          HG23      VAL  32  -0.573   5.194  -5.277
  247    H    ASN  33           H        ASN  33   2.618   3.793  -2.210
  248    HA   ASN  33           HA       ASN  33   2.712   6.713  -1.908
  249   1HB   ASN  33          HB2       ASN  33   3.245   5.598   0.333
  250   2HB   ASN  33          HB3       ASN  33   4.574   4.760  -0.474
  251   1HD2  ASN  33          HD22      ASN  33   6.507   5.937  -0.923
  252   2HD2  ASN  33          HD21      ASN  33   6.703   7.627  -0.456
  253    H    VAL  34           H        VAL  34   4.633   7.512  -3.012
  254    HA   VAL  34           HA       VAL  34   6.162   5.567  -4.520
  255    HB   VAL  34           HB       VAL  34   5.920   6.839  -6.637
  256   1HG1  VAL  34          HG11      VAL  34   4.470   4.771  -6.124
  257   2HG1  VAL  34          HG12      VAL  34   3.162   5.893  -5.767
  258   3HG1  VAL  34          HG13      VAL  34   3.887   5.869  -7.386
  259   1HG2  VAL  34          HG21      VAL  34   4.937   8.945  -5.489
  260   2HG2  VAL  34          HG22      VAL  34   4.188   8.408  -7.013
  261   3HG2  VAL  34          HG23      VAL  34   3.407   8.085  -5.445
  262    H    ARG  35           H        ARG  35   8.184   6.360  -5.212
  263    HA   ARG  35           HA       ARG  35   9.150   8.935  -4.122
  264   1HB   ARG  35          HB2       ARG  35  10.408   6.160  -3.876
  265   2HB   ARG  35          HB3       ARG  35  11.130   7.637  -3.267
  266   1HG   ARG  35          HG2       ARG  35   8.503   6.503  -2.195
  267   2HG   ARG  35          HG3       ARG  35  10.079   6.060  -1.583
  268   1HD   ARG  35          HD2       ARG  35   9.099   7.763  -0.171
  269   2HD   ARG  35          HD3       ARG  35  10.576   8.351  -0.958
  270    HE   ARG  35           HE       ARG  35   8.046   8.966  -2.355
  271   1HH1  ARG  35          HH21      ARG  35  10.233  10.223   0.125
  272   2HH1  ARG  35          HH22      ARG  35   9.996  11.877  -0.300
  273   1HH2  ARG  35          HH11      ARG  35   7.864  11.167  -3.080
  274   2HH2  ARG  35          HH12      ARG  35   8.536  12.407  -2.093
  275    H    SER  36           H        SER  36  11.379   9.358  -4.942
  276    HA   SER  36           HA       SER  36  11.880   8.315  -7.665
  277   1HB   SER  36          HB2       SER  36  12.060  11.199  -6.691
  278   2HB   SER  36          HB3       SER  36  12.489  10.627  -8.306
  279    HG   SER  36           HG       SER  36   9.954  10.729  -7.047
  280    H    ALA  37           H        ALA  37  14.050   7.941  -8.041
  281    HA   ALA  37           HA       ALA  37  16.067   9.270  -6.401
  282   1HB   ALA  37          HB1       ALA  37  17.097   7.200  -5.650
  283   2HB   ALA  37          HB2       ALA  37  15.442   7.248  -5.055
  284   3HB   ALA  37          HB3       ALA  37  15.836   6.226  -6.457
  285    H    GLY  38           H        GLY  38  18.274   8.255  -7.135
  286   1HA   GLY  38          HA2       GLY  38  18.332   7.192  -9.851
  287   2HA   GLY  38          HA3       GLY  38  19.136   8.754  -9.639
  288    H    VAL  39           H        VAL  39  20.301   5.999 -10.170
  289    HA   VAL  39           HA       VAL  39  21.450   5.059  -7.716
  290    HB   VAL  39           HB       VAL  39  23.045   3.840  -9.347
  291   1HG1  VAL  39          HG11      VAL  39  20.034   3.415  -9.495
  292   2HG1  VAL  39          HG12      VAL  39  21.279   2.233  -9.953
  293   3HG1  VAL  39          HG13      VAL  39  21.147   2.765  -8.265
  294   1HG2  VAL  39          HG21      VAL  39  20.968   4.677 -11.430
  295   2HG2  VAL  39          HG22      VAL  39  22.615   5.340 -11.348
  296   3HG2  VAL  39          HG23      VAL  39  22.357   3.611 -11.645
  297    H    PHE  40           H        PHE  40  22.392   7.667  -9.818
  298    HA   PHE  40           HA       PHE  40  24.707   8.231  -8.051
  299   1HB   PHE  40          HB2       PHE  40  24.702   8.232 -11.097
  300   2HB   PHE  40          HB3       PHE  40  25.974   8.940 -10.111
  301    HD1  PHE  40           HD1      PHE  40  27.281   7.474  -8.483
  302    HD2  PHE  40           HD2      PHE  40  24.760   5.852 -11.588
  303    HE1  PHE  40           HE1      PHE  40  28.471   5.303  -8.323
  304    HE2  PHE  40           HE2      PHE  40  25.968   3.695 -11.435
  305    HZ   PHE  40           HZ       PHE  40  27.816   3.408  -9.798
  306    H    ALA  41           H        ALA  41  21.947   9.228  -8.074
  307    HA   ALA  41           HA       ALA  41  22.057  12.015  -9.024
  308   1HB   ALA  41          HB1       ALA  41  19.883  12.178  -7.847
  309   2HB   ALA  41          HB2       ALA  41  19.907  10.823  -8.984
  310   3HB   ALA  41          HB3       ALA  41  20.082  10.522  -7.237
  311    H    SER  42           H        SER  42  21.495  13.655  -7.187
  312    HA   SER  42           HA       SER  42  23.215  13.196  -4.828
  313   1HB   SER  42          HB2       SER  42  23.240  15.666  -6.596
  314   2HB   SER  42          HB3       SER  42  24.218  15.400  -5.142
  315    HG   SER  42           HG       SER  42  25.364  14.952  -7.085
  316    HA   PRO  43           HA       PRO  43  19.711  14.801  -2.668
  317   1HB   PRO  43          HB2       PRO  43  21.744  16.038  -0.813
  318   2HB   PRO  43          HB3       PRO  43  20.246  15.134  -0.408
  319   1HG   PRO  43          HG2       PRO  43  22.578  13.821  -0.338
  320   2HG   PRO  43          HG3       PRO  43  21.193  13.080  -1.228
  321   1HD   PRO  43          HD2       PRO  43  23.487  14.707  -2.381
  322   2HD   PRO  43          HD3       PRO  43  22.877  13.097  -2.864
  323    H    ASN  44           H        ASN  44  21.258  16.983  -4.576
  324    HA   ASN  44           HA       ASN  44  19.642  19.259  -3.621
  325   1HB   ASN  44          HB2       ASN  44  21.846  19.341  -2.409
  326   2HB   ASN  44          HB3       ASN  44  22.647  19.512  -3.976
  327   1HD2  ASN  44          HD22      ASN  44  23.370  21.671  -3.925
  328   2HD2  ASN  44          HD21      ASN  44  22.342  23.037  -3.586
  329    H    GLY  45           H        GLY  45  19.897  17.449  -6.108
  330   1HA   GLY  45          HA2       GLY  45  19.916  19.571  -8.191
  331   2HA   GLY  45          HA3       GLY  45  19.534  17.852  -8.416
  332    H    LYS  46           H        LYS  46  17.679  19.973  -9.186
  333    HA   LYS  46           HA       LYS  46  15.385  19.120  -7.612
  334   1HB   LYS  46          HB2       LYS  46  16.170  20.851  -6.166
  335   2HB   LYS  46          HB3       LYS  46  16.345  22.001  -7.510
  336   1HG   LYS  46          HG2       LYS  46  13.842  21.966  -7.784
  337   2HG   LYS  46          HG3       LYS  46  13.743  20.865  -6.394
  338   1HD   LYS  46          HD2       LYS  46  14.915  22.600  -4.998
  339   2HD   LYS  46          HD3       LYS  46  14.880  23.710  -6.361
  340   1HE   LYS  46          HE2       LYS  46  12.362  22.424  -5.215
  341   2HE   LYS  46          HE3       LYS  46  13.051  23.894  -4.527
  342   1HZ   LYS  46          HZ1       LYS  46  12.722  25.028  -6.589
  343   2HZ   LYS  46          HZ2       LYS  46  12.205  23.675  -7.354
  344   3HZ   LYS  46          HZ3       LYS  46  11.308  24.326  -6.149
  345    H    ALA  47           H        ALA  47  14.056  18.565  -9.114
  346    HA   ALA  47           HA       ALA  47  13.221  18.176 -11.188
  347   1HB   ALA  47          HB1       ALA  47  11.759  19.853 -10.015
  348   2HB   ALA  47          HB2       ALA  47  12.526  21.129 -10.983
  349   3HB   ALA  47          HB3       ALA  47  11.593  19.832 -11.777
  350    H    THR  48           H        THR  48  12.831  20.202 -13.345
  351    HA   THR  48           HA       THR  48  15.477  21.040 -14.161
  352    HB   THR  48           HB       THR  48  15.647  20.009 -16.205
  353    HG1  THR  48           HG1      THR  48  14.022  19.229 -17.399
  354   1HG2  THR  48          HG21      THR  48  14.184  17.799 -14.729
  355   2HG2  THR  48          HG22      THR  48  15.277  17.613 -16.112
  356   3HG2  THR  48          HG23      THR  48  15.919  18.202 -14.578
  357    HA   PRO  49           HA       PRO  49  12.935  24.451 -15.148
  358   1HB   PRO  49          HB2       PRO  49  13.958  25.615 -17.426
  359   2HB   PRO  49          HB3       PRO  49  14.777  25.635 -15.836
  360   1HG   PRO  49          HG2       PRO  49  15.240  23.730 -18.148
  361   2HG   PRO  49          HG3       PRO  49  16.463  24.623 -17.187
  362   1HD   PRO  49          HD2       PRO  49  15.837  22.038 -16.673
  363   2HD   PRO  49          HD3       PRO  49  16.192  23.167 -15.335
  364    H    HIS  50           H        HIS  50  12.860  21.777 -17.313
  365    HA   HIS  50           HA       HIS  50  10.409  22.853 -18.594
  366   1HB   HIS  50          HB2       HIS  50  12.504  20.993 -19.716
  367   2HB   HIS  50          HB3       HIS  50  10.933  21.277 -20.469
  368    HD1  HIS  50           HD1      HIS  50  13.834  22.026 -21.816
  369    HD2  HIS  50           HD2      HIS  50  11.026  24.584 -19.976
  370    HE1  HIS  50           HE1      HIS  50  14.273  24.357 -22.724
  371    H    ALA  51           H        ALA  51  11.854  20.047 -16.913
  372    HA   ALA  51           HA       ALA  51   9.546  18.393 -17.127
  373   1HB   ALA  51          HB1       ALA  51  11.698  17.544 -16.219
  374   2HB   ALA  51          HB2       ALA  51  11.574  18.653 -14.847
  375   3HB   ALA  51          HB3       ALA  51  10.402  17.335 -15.033
  376    H    VAL  52           H        VAL  52  10.526  20.862 -14.760
  377    HA   VAL  52           HA       VAL  52   8.257  20.569 -13.135
  378    HB   VAL  52           HB       VAL  52  10.623  21.718 -12.845
  379   1HG1  VAL  52          HG11      VAL  52  10.317  23.567 -14.428
  380   2HG1  VAL  52          HG12      VAL  52   8.991  24.198 -13.400
  381   3HG1  VAL  52          HG13      VAL  52  10.656  24.116 -12.783
  382   1HG2  VAL  52          HG21      VAL  52   9.198  21.293 -11.013
  383   2HG2  VAL  52          HG22      VAL  52   9.836  22.931 -10.859
  384   3HG2  VAL  52          HG23      VAL  52   8.161  22.688 -11.414
  385    H    GLU  53           H        GLU  53   8.913  22.631 -15.930
  386    HA   GLU  53           HA       GLU  53   6.505  24.110 -15.714
  387   1HB   GLU  53          HB2       GLU  53   8.500  24.898 -16.911
  388   2HB   GLU  53          HB3       GLU  53   8.301  23.629 -18.128
  389   1HG   GLU  53          HG2       GLU  53   6.231  24.617 -18.919
  390   2HG   GLU  53          HG3       GLU  53   6.177  25.730 -17.548
  391    H    ALA  54           H        ALA  54   7.377  21.124 -17.436
  392    HA   ALA  54           HA       ALA  54   4.970  20.844 -18.883
  393   1HB   ALA  54          HB1       ALA  54   6.911  18.708 -17.874
  394   2HB   ALA  54          HB2       ALA  54   5.668  18.455 -19.106
  395   3HB   ALA  54          HB3       ALA  54   7.008  19.563 -19.430
  396    H    LEU  55           H        LEU  55   5.885  19.723 -15.621
  397    HA   LEU  55           HA       LEU  55   3.243  18.466 -15.282
  398   1HB   LEU  55          HB2       LEU  55   5.659  18.832 -13.536
  399   2HB   LEU  55          HB3       LEU  55   4.123  18.344 -12.817
  400    HG   LEU  55           HG       LEU  55   5.698  16.479 -13.242
  401   1HD1  LEU  55          HD11      LEU  55   3.085  16.208 -14.772
  402   2HD1  LEU  55          HD12      LEU  55   4.067  14.892 -14.102
  403   3HD1  LEU  55          HD13      LEU  55   3.297  16.034 -13.005
  404   1HD2  LEU  55          HD21      LEU  55   6.653  17.151 -15.416
  405   2HD2  LEU  55          HD22      LEU  55   5.979  15.519 -15.465
  406   3HD2  LEU  55          HD23      LEU  55   5.086  16.859 -16.202
  407    H    PHE  56           H        PHE  56   4.631  21.649 -14.557
  408    HA   PHE  56           HA       PHE  56   2.391  22.466 -12.911
  409   1HB   PHE  56          HB2       PHE  56   4.660  23.855 -14.271
  410   2HB   PHE  56          HB3       PHE  56   3.198  24.793 -14.098
  411    HD1  PHE  56           HD1      PHE  56   6.134  23.667 -12.340
  412    HD2  PHE  56           HD2      PHE  56   2.052  24.952 -11.805
  413    HE1  PHE  56           HE1      PHE  56   6.606  24.176  -9.967
  414    HE2  PHE  56           HE2      PHE  56   2.534  25.477  -9.434
  415    HZ   PHE  56           HZ       PHE  56   4.815  25.099  -8.505
  416    H    GLU  57           H        GLU  57   3.019  22.507 -16.466
  417    HA   GLU  57           HA       GLU  57   0.508  23.721 -17.095
  418   1HB   GLU  57          HB2       GLU  57   2.463  23.623 -18.599
  419   2HB   GLU  57          HB3       GLU  57   2.256  21.875 -18.761
  420   1HG   GLU  57          HG2       GLU  57   0.033  22.230 -19.795
  421   2HG   GLU  57          HG3       GLU  57   0.174  23.974 -19.534
  422    H    LYS  58           H        LYS  58   1.481  20.244 -16.701
  423    HA   LYS  58           HA       LYS  58  -1.197  19.269 -17.138
  424   1HB   LYS  58          HB2       LYS  58   0.962  17.942 -17.227
  425   2HB   LYS  58          HB3       LYS  58   0.949  17.915 -15.458
  426   1HG   LYS  58          HG2       LYS  58  -1.119  16.662 -15.415
  427   2HG   LYS  58          HG3       LYS  58  -1.417  16.933 -17.128
  428   1HD   LYS  58          HD2       LYS  58   0.908  15.304 -16.026
  429   2HD   LYS  58          HD3       LYS  58  -0.650  14.620 -16.491
  430   1HE   LYS  58          HE2       LYS  58   1.156  16.179 -18.383
  431   2HE   LYS  58          HE3       LYS  58   1.182  14.419 -18.221
  432   1HZ   LYS  58          HZ1       LYS  58  -1.238  15.932 -19.034
  433   2HZ   LYS  58          HZ2       LYS  58  -0.231  15.179 -20.074
  434   3HZ   LYS  58          HZ3       LYS  58  -1.064  14.295 -18.995
  435    H    HIS  59           H        HIS  59   0.022  21.163 -14.623
  436    HA   HIS  59           HA       HIS  59  -0.819  22.016 -12.780
  437   1HB   HIS  59          HB2       HIS  59  -2.922  22.083 -14.237
  438   2HB   HIS  59          HB3       HIS  59  -3.521  20.758 -13.242
  439    HD1  HIS  59           HD1      HIS  59  -3.097  24.501 -13.228
  440    HD2  HIS  59           HD2      HIS  59  -3.710  21.374 -10.477
  441    HE1  HIS  59           HE1      HIS  59  -3.876  25.595 -11.067
  442    H    ILE  60           H        ILE  60   0.801  20.118 -12.370
  443    HA   ILE  60           HA       ILE  60  -0.258  18.581 -10.047
  444    HB   ILE  60           HB       ILE  60   1.870  17.753 -12.047
  445   1HG1  ILE  60          HG12      ILE  60  -0.919  16.619 -11.511
  446   2HG1  ILE  60          HG13      ILE  60  -0.471  17.574 -12.916
  447   1HG2  ILE  60          HG21      ILE  60   2.431  16.921  -9.800
  448   2HG2  ILE  60          HG22      ILE  60   0.775  16.327  -9.575
  449   3HG2  ILE  60          HG23      ILE  60   1.850  15.584 -10.766
  450   1HD1  ILE  60          HD11      ILE  60   1.050  15.855 -13.705
  451   2HD1  ILE  60          HD12      ILE  60   0.648  14.807 -12.329
  452   3HD1  ILE  60          HD13      ILE  60  -0.596  15.232 -13.502
  453    H    ALA  61           H        ALA  61   2.038  20.943 -11.173
  454    HA   ALA  61           HA       ALA  61   3.621  22.165 -10.157
  455   1HB   ALA  61          HB1       ALA  61   3.143  22.916  -7.883
  456   2HB   ALA  61          HB2       ALA  61   1.667  22.867  -8.867
  457   3HB   ALA  61          HB3       ALA  61   1.981  21.597  -7.663
  458    H    LEU  62           H        LEU  62   5.051  20.346 -10.788
  459    HA   LEU  62           HA       LEU  62   6.219  18.533  -8.873
  460   1HB   LEU  62          HB2       LEU  62   6.231  18.574 -11.468
  461   2HB   LEU  62          HB3       LEU  62   7.478  19.792 -11.350
  462    HG   LEU  62           HG       LEU  62   7.563  16.849 -10.584
  463   1HD1  LEU  62          HD11      LEU  62   9.282  18.457 -12.522
  464   2HD1  LEU  62          HD12      LEU  62   9.275  16.696 -12.299
  465   3HD1  LEU  62          HD13      LEU  62   7.864  17.500 -12.992
  466   1HD2  LEU  62          HD21      LEU  62  10.061  17.299 -10.120
  467   2HD2  LEU  62          HD22      LEU  62   9.596  18.995  -9.916
  468   3HD2  LEU  62          HD23      LEU  62   8.887  17.712  -8.873
  469    H    ASN  63           H        ASN  63   7.911  19.056  -7.362
  470    HA   ASN  63           HA       ASN  63   9.588  21.386  -7.875
  471   1HB   ASN  63          HB2       ASN  63   7.313  21.796  -6.240
  472   2HB   ASN  63          HB3       ASN  63   8.624  21.618  -5.088
  473   1HD2  ASN  63          HD22      ASN  63   7.949  23.156  -8.275
  474   2HD2  ASN  63          HD21      ASN  63   8.730  24.689  -7.909
  475    H    HIS  64           H        HIS  64   9.817  18.441  -7.530
  476    HA   HIS  64           HA       HIS  64  10.811  17.645  -5.024
  477   1HB   HIS  64          HB2       HIS  64   9.825  16.131  -6.637
  478   2HB   HIS  64          HB3       HIS  64  11.018  16.573  -7.860
  479    HD1  HIS  64           HD1      HIS  64  10.707  14.306  -4.778
  480    HD2  HIS  64           HD2      HIS  64  13.351  15.409  -7.860
  481    HE1  HIS  64           HE1      HIS  64  12.557  12.558  -4.802
  482    H    VAL  65           H        VAL  65  12.767  17.702  -4.096
  483    HA   VAL  65           HA       VAL  65  15.223  18.519  -5.560
  484    HB   VAL  65           HB       VAL  65  14.563  18.101  -2.618
  485   1HG1  VAL  65          HG11      VAL  65  16.906  17.428  -2.985
  486   2HG1  VAL  65          HG12      VAL  65  17.224  18.956  -3.830
  487   3HG1  VAL  65          HG13      VAL  65  16.822  18.950  -2.102
  488   1HG2  VAL  65          HG21      VAL  65  14.931  20.472  -2.350
  489   2HG2  VAL  65          HG22      VAL  65  15.429  20.634  -4.037
  490   3HG2  VAL  65          HG23      VAL  65  13.735  20.253  -3.638
  491    H    SER  66           H        SER  66  16.745  16.872  -6.050
  492    HA   SER  66           HA       SER  66  15.825  14.141  -6.052
  493   1HB   SER  66          HB2       SER  66  18.091  13.774  -7.115
  494   2HB   SER  66          HB3       SER  66  17.038  14.946  -7.914
  495    HG   SER  66           HG       SER  66  19.335  15.421  -6.355
  496    H    SER  67           H        SER  67  17.358  12.335  -5.413
  497    HA   SER  67           HA       SER  67  19.296  12.701  -3.333
  498   1HB   SER  67          HB2       SER  67  16.613  11.362  -2.717
  499   2HB   SER  67          HB3       SER  67  18.078  11.074  -1.765
  500    HG   SER  67           HG       SER  67  17.303  13.716  -2.270
  501    HA   PRO  68           HA       PRO  68  20.442   8.954  -5.511
  502   1HB   PRO  68          HB2       PRO  68  22.077   7.645  -3.763
  503   2HB   PRO  68          HB3       PRO  68  22.542   9.195  -4.525
  504   1HG   PRO  68          HG2       PRO  68  21.287   8.774  -1.789
  505   2HG   PRO  68          HG3       PRO  68  22.755   9.729  -2.190
  506   1HD   PRO  68          HD2       PRO  68  20.321  10.903  -1.922
  507   2HD   PRO  68          HD3       PRO  68  21.465  11.447  -3.187
  508    H    LEU  69           H        LEU  69  20.105   6.603  -5.518
  509    HA   LEU  69           HA       LEU  69  17.985   5.656  -3.658
  510   1HB   LEU  69          HB2       LEU  69  17.771   5.065  -6.066
  511   2HB   LEU  69          HB3       LEU  69  19.339   4.283  -6.031
  512    HG   LEU  69           HG       LEU  69  18.572   2.520  -4.672
  513   1HD1  LEU  69          HD11      LEU  69  16.029   4.105  -4.147
  514   2HD1  LEU  69          HD12      LEU  69  16.205   2.375  -3.777
  515   3HD1  LEU  69          HD13      LEU  69  17.210   3.545  -2.944
  516   1HD2  LEU  69          HD21      LEU  69  16.756   1.536  -5.953
  517   2HD2  LEU  69          HD22      LEU  69  16.270   3.137  -6.553
  518   3HD2  LEU  69          HD23      LEU  69  17.836   2.438  -7.023
  519    H    THR  70           H        THR  70  18.641   4.890  -1.739
  520    HA   THR  70           HA       THR  70  21.169   3.412  -1.527
  521    HB   THR  70           HB       THR  70  21.230   4.623   0.829
  522    HG1  THR  70           HG1      THR  70  20.474   6.700   0.764
  523   1HG2  THR  70          HG21      THR  70  22.980   4.681  -0.909
  524   2HG2  THR  70          HG22      THR  70  22.113   5.979  -1.758
  525   3HG2  THR  70          HG23      THR  70  22.788   6.266  -0.135
  526    H    GLU  71           H        GLU  71  21.209   2.211   0.619
  527    HA   GLU  71           HA       GLU  71  19.321   0.316  -0.087
  528   1HB   GLU  71          HB2       GLU  71  21.696   0.021   0.803
  529   2HB   GLU  71          HB3       GLU  71  21.036   0.232   2.430
  530   1HG   GLU  71          HG2       GLU  71  19.545  -1.723   2.060
  531   2HG   GLU  71          HG3       GLU  71  20.156  -1.881   0.409
  532    H    GLU  72           H        GLU  72  19.282   2.577   2.631
  533    HA   GLU  72           HA       GLU  72  17.236   1.268   4.104
  534   1HB   GLU  72          HB2       GLU  72  16.959   3.457   5.243
  535   2HB   GLU  72          HB3       GLU  72  18.631   2.897   5.179
  536   1HG   GLU  72          HG2       GLU  72  19.073   4.448   3.274
  537   2HG   GLU  72          HG3       GLU  72  17.410   5.033   3.378
  538    H    LEU  73           H        LEU  73  17.085   3.567   1.398
  539    HA   LEU  73           HA       LEU  73  14.233   3.926   1.610
  540   1HB   LEU  73          HB2       LEU  73  15.730   5.561   0.468
  541   2HB   LEU  73          HB3       LEU  73  16.076   4.349  -0.771
  542    HG   LEU  73           HG       LEU  73  13.710   4.380  -1.475
  543   1HD1  LEU  73          HD11      LEU  73  12.491   4.890   0.487
  544   2HD1  LEU  73          HD12      LEU  73  13.254   6.503   0.609
  545   3HD1  LEU  73          HD13      LEU  73  12.162   6.103  -0.743
  546   1HD2  LEU  73          HD21      LEU  73  14.916   7.162  -1.363
  547   2HD2  LEU  73          HD22      LEU  73  15.342   5.900  -2.534
  548   3HD2  LEU  73          HD23      LEU  73  13.706   6.570  -2.529
  549    H    MET  74           H        MET  74  16.442   1.829  -0.202
  550    HA   MET  74           HA       MET  74  14.534   0.397  -1.722
  551   1HB   MET  74          HB2       MET  74  16.654   0.073  -2.481
  552   2HB   MET  74          HB3       MET  74  17.363   0.042  -0.883
  553   1HG   MET  74          HG2       MET  74  17.655  -2.100  -1.897
  554   2HG   MET  74          HG3       MET  74  16.606  -2.231  -0.502
  555   1HE   MET  74          HE1       MET  74  16.269  -1.413  -4.374
  556   2HE   MET  74          HE2       MET  74  17.022  -3.027  -4.300
  557   3HE   MET  74          HE3       MET  74  15.377  -2.848  -4.932
  558    H    GLU  75           H        GLU  75  15.784  -0.208   1.565
  559    HA   GLU  75           HA       GLU  75  14.282  -2.616   1.998
  560   1HB   GLU  75          HB2       GLU  75  15.655  -0.640   3.850
  561   2HB   GLU  75          HB3       GLU  75  14.738  -2.021   4.462
  562   1HG   GLU  75          HG2       GLU  75  16.129  -3.572   3.133
  563   2HG   GLU  75          HG3       GLU  75  17.119  -2.236   2.571
  564    H    SER  76           H        SER  76  13.578   0.847   2.575
  565    HA   SER  76           HA       SER  76  11.183   0.414   4.081
  566   1HB   SER  76          HB2       SER  76  12.001   2.798   2.364
  567   2HB   SER  76          HB3       SER  76  10.730   2.779   3.597
  568    HG   SER  76           HG       SER  76  13.531   2.411   3.950
  569    H    ALA  77           H        ALA  77  11.788   0.747   0.545
  570    HA   ALA  77           HA       ALA  77   8.949   0.869  -0.034
  571   1HB   ALA  77          HB1       ALA  77  11.303   0.501  -1.914
  572   2HB   ALA  77          HB2       ALA  77   9.645   0.971  -2.362
  573   3HB   ALA  77          HB3       ALA  77  10.617   2.061  -1.373
  574    H    ASP  78           H        ASP  78   8.068  -0.583  -1.843
  575    HA   ASP  78           HA       ASP  78   8.549  -3.437  -1.151
  576   1HB   ASP  78          HB2       ASP  78   6.336  -2.473  -0.489
  577   2HB   ASP  78          HB3       ASP  78   6.014  -2.124  -2.185
  578    H    LEU  79           H        LEU  79   8.158  -1.040  -3.733
  579    HA   LEU  79           HA       LEU  79   8.896  -3.056  -5.770
  580   1HB   LEU  79          HB2       LEU  79   6.398  -2.421  -5.713
  581   2HB   LEU  79          HB3       LEU  79   6.894  -0.780  -6.052
  582    HG   LEU  79           HG       LEU  79   7.935  -1.591  -8.218
  583   1HD1  LEU  79          HD11      LEU  79   6.517  -4.189  -7.458
  584   2HD1  LEU  79          HD12      LEU  79   7.187  -3.818  -9.060
  585   3HD1  LEU  79          HD13      LEU  79   8.267  -3.975  -7.672
  586   1HD2  LEU  79          HD21      LEU  79   5.859  -1.784  -9.430
  587   2HD2  LEU  79          HD22      LEU  79   4.980  -2.276  -7.968
  588   3HD2  LEU  79          HD23      LEU  79   5.618  -0.630  -8.120
  589    H    VAL  80           H        VAL  80  10.213  -2.222  -7.413
  590    HA   VAL  80           HA       VAL  80  10.997   0.620  -7.293
  591    HB   VAL  80           HB       VAL  80  12.925  -1.720  -7.432
  592   1HG1  VAL  80          HG11      VAL  80  13.734   0.225  -8.728
  593   2HG1  VAL  80          HG12      VAL  80  13.463   1.283  -7.335
  594   3HG1  VAL  80          HG13      VAL  80  14.702   0.019  -7.266
  595   1HG2  VAL  80          HG21      VAL  80  12.230  -1.577  -5.142
  596   2HG2  VAL  80          HG22      VAL  80  13.818  -0.821  -5.244
  597   3HG2  VAL  80          HG23      VAL  80  12.358   0.190  -5.153
  598    H    LEU  81           H        LEU  81  11.350   1.459  -9.350
  599    HA   LEU  81           HA       LEU  81  10.789  -0.335 -11.618
  600   1HB   LEU  81          HB2       LEU  81   8.850   1.200 -10.330
  601   2HB   LEU  81          HB3       LEU  81   9.317   2.217 -11.686
  602    HG   LEU  81           HG       LEU  81   8.549  -0.755 -11.965
  603   1HD1  LEU  81          HD11      LEU  81   6.639   0.507 -11.101
  604   2HD1  LEU  81          HD12      LEU  81   6.906   1.770 -12.320
  605   3HD1  LEU  81          HD13      LEU  81   6.383   0.141 -12.815
  606   1HD2  LEU  81          HD21      LEU  81   8.243  -0.142 -14.325
  607   2HD2  LEU  81          HD22      LEU  81   8.900   1.475 -13.964
  608   3HD2  LEU  81          HD23      LEU  81   9.919   0.029 -13.793
  609    H    ALA  82           H        ALA  82  12.509  -0.110 -12.848
  610    HA   ALA  82           HA       ALA  82  14.173   2.308 -12.548
  611   1HB   ALA  82          HB1       ALA  82  15.106   0.175 -11.684
  612   2HB   ALA  82          HB2       ALA  82  14.938  -0.546 -13.304
  613   3HB   ALA  82          HB3       ALA  82  16.048   0.810 -13.034
  614    H    MET  83           H        MET  83  14.690   3.489 -14.249
  615    HA   MET  83           HA       MET  83  13.253   3.191 -16.658
  616   1HB   MET  83          HB2       MET  83  15.430   5.077 -15.733
  617   2HB   MET  83          HB3       MET  83  14.806   5.134 -17.384
  618   1HG   MET  83          HG2       MET  83  13.551   6.700 -16.063
  619   2HG   MET  83          HG3       MET  83  12.527   5.362 -16.566
  620   1HE   MET  83          HE1       MET  83  10.674   6.097 -13.266
  621   2HE   MET  83          HE2       MET  83  11.157   7.164 -14.604
  622   3HE   MET  83          HE3       MET  83  10.484   5.540 -14.926
  623    H    THR  84           H        THR  84  16.322   1.629 -15.914
  624    HA   THR  84           HA       THR  84  16.157   0.545 -18.612
  625    HB   THR  84           HB       THR  84  18.509   0.715 -19.117
  626    HG1  THR  84           HG1      THR  84  18.879   2.470 -16.959
  627   1HG2  THR  84          HG21      THR  84  17.175   2.613 -19.959
  628   2HG2  THR  84          HG22      THR  84  17.562   3.535 -18.487
  629   3HG2  THR  84          HG23      THR  84  18.854   3.057 -19.606
  630    H    HIS  85           H        HIS  85  17.287  -1.507 -18.806
  631    HA   HIS  85           HA       HIS  85  17.268  -3.117 -16.456
  632   1HB   HIS  85          HB2       HIS  85  18.326  -4.821 -17.887
  633   2HB   HIS  85          HB3       HIS  85  16.896  -4.108 -18.622
  634    HD1  HIS  85           HD1      HIS  85  20.741  -4.133 -19.065
  635    HD2  HIS  85           HD2      HIS  85  17.195  -2.896 -20.975
  636    HE1  HIS  85           HE1      HIS  85  21.407  -3.391 -21.402
  637    H    GLN  86           H        GLN  86  19.766  -1.219 -18.096
  638    HA   GLN  86           HA       GLN  86  21.975  -2.188 -16.622
  639   1HB   GLN  86          HB2       GLN  86  22.234  -0.839 -18.658
  640   2HB   GLN  86          HB3       GLN  86  21.497   0.553 -17.864
  641   1HG   GLN  86          HG2       GLN  86  23.908   0.821 -17.967
  642   2HG   GLN  86          HG3       GLN  86  23.397   0.701 -16.293
  643   1HE2  GLN  86          HE22      GLN  86  23.837  -1.372 -15.120
  644   2HE2  GLN  86          HE21      GLN  86  25.151  -2.388 -15.677
  645    H    HIS  87           H        HIS  87  19.645   0.443 -15.894
  646    HA   HIS  87           HA       HIS  87  20.825   1.168 -13.395
  647   1HB   HIS  87          HB2       HIS  87  17.891   1.248 -14.136
  648   2HB   HIS  87          HB3       HIS  87  18.625   2.048 -12.758
  649    HD1  HIS  87           HD1      HIS  87  21.020   2.949 -15.299
  650    HD2  HIS  87           HD2      HIS  87  16.973   3.793 -14.559
  651    HE1  HIS  87           HE1      HIS  87  20.479   5.062 -16.603
  652    H    LYS  88           H        LYS  88  18.347  -1.276 -14.263
  653    HA   LYS  88           HA       LYS  88  17.842  -2.122 -11.623
  654   1HB   LYS  88          HB2       LYS  88  16.423  -2.794 -13.496
  655   2HB   LYS  88          HB3       LYS  88  17.713  -3.802 -14.170
  656   1HG   LYS  88          HG2       LYS  88  17.613  -5.355 -12.349
  657   2HG   LYS  88          HG3       LYS  88  16.687  -4.243 -11.360
  658   1HD   LYS  88          HD2       LYS  88  15.168  -5.894 -12.015
  659   2HD   LYS  88          HD3       LYS  88  14.753  -4.492 -13.009
  660   1HE   LYS  88          HE2       LYS  88  15.872  -5.484 -14.953
  661   2HE   LYS  88          HE3       LYS  88  16.523  -6.789 -13.946
  662   1HZ   LYS  88          HZ1       LYS  88  14.644  -7.667 -15.030
  663   2HZ   LYS  88          HZ2       LYS  88  14.134  -7.409 -13.511
  664   3HZ   LYS  88          HZ3       LYS  88  13.688  -6.394 -14.728
  665    H    GLN  89           H        GLN  89  20.409  -3.178 -13.840
  666    HA   GLN  89           HA       GLN  89  21.444  -5.078 -11.938
  667   1HB   GLN  89          HB2       GLN  89  22.603  -3.888 -14.493
  668   2HB   GLN  89          HB3       GLN  89  23.451  -5.097 -13.523
  669   1HG   GLN  89          HG2       GLN  89  20.697  -5.505 -14.781
  670   2HG   GLN  89          HG3       GLN  89  22.218  -6.106 -15.428
  671   1HE2  GLN  89          HE22      GLN  89  23.423  -7.757 -14.147
  672   2HE2  GLN  89          HE21      GLN  89  22.564  -8.759 -13.010
  673    H    ILE  90           H        ILE  90  22.133  -1.627 -12.519
  674    HA   ILE  90           HA       ILE  90  24.421  -1.584 -10.788
  675    HB   ILE  90           HB       ILE  90  22.484   0.618 -11.575
  676   1HG1  ILE  90          HG12      ILE  90  25.414   0.313 -12.369
  677   2HG1  ILE  90          HG13      ILE  90  24.154  -0.481 -13.286
  678   1HG2  ILE  90          HG21      ILE  90  25.099   0.829  -9.999
  679   2HG2  ILE  90          HG22      ILE  90  24.197   2.206 -10.652
  680   3HG2  ILE  90          HG23      ILE  90  23.480   1.215  -9.390
  681   1HD1  ILE  90          HD11      ILE  90  23.053   1.703 -13.721
  682   2HD1  ILE  90          HD12      ILE  90  24.367   2.527 -12.858
  683   3HD1  ILE  90          HD13      ILE  90  24.713   1.629 -14.342
  684    H    ILE  91           H        ILE  91  20.924  -1.088 -10.198
  685    HA   ILE  91           HA       ILE  91  21.098  -0.703  -7.406
  686    HB   ILE  91           HB       ILE  91  18.909  -1.928  -9.138
  687   1HG1  ILE  91          HG12      ILE  91  19.087   0.850  -7.898
  688   2HG1  ILE  91          HG13      ILE  91  19.694   0.516  -9.499
  689   1HG2  ILE  91          HG21      ILE  91  17.337  -1.438  -7.283
  690   2HG2  ILE  91          HG22      ILE  91  18.540  -2.624  -6.783
  691   3HG2  ILE  91          HG23      ILE  91  18.697  -0.927  -6.275
  692   1HD1  ILE  91          HD11      ILE  91  16.801   0.255  -8.650
  693   2HD1  ILE  91          HD12      ILE  91  17.525   1.429  -9.767
  694   3HD1  ILE  91          HD13      ILE  91  17.450  -0.282 -10.219
  695    H    ALA  92           H        ALA  92  20.851  -3.725  -9.278
  696    HA   ALA  92           HA       ALA  92  20.907  -5.538  -7.128
  697   1HB   ALA  92          HB1       ALA  92  20.536  -5.998  -9.663
  698   2HB   ALA  92          HB2       ALA  92  22.297  -6.028  -9.801
  699   3HB   ALA  92          HB3       ALA  92  21.489  -7.200  -8.760
  700    H    SER  93           H        SER  93  23.553  -3.789  -8.683
  701    HA   SER  93           HA       SER  93  25.653  -5.281  -7.341
  702   1HB   SER  93          HB2       SER  93  25.782  -2.650  -8.870
  703   2HB   SER  93          HB3       SER  93  27.142  -3.694  -8.435
  704    HG   SER  93           HG       SER  93  24.979  -4.287 -10.200
  705    H    GLN  94           H        GLN  94  23.809  -2.303  -6.680
  706    HA   GLN  94           HA       GLN  94  25.603  -1.361  -4.603
  707   1HB   GLN  94          HB2       GLN  94  22.603  -0.841  -4.918
  708   2HB   GLN  94          HB3       GLN  94  23.707  -0.015  -3.822
  709   1HG   GLN  94          HG2       GLN  94  24.976   0.721  -5.966
  710   2HG   GLN  94          HG3       GLN  94  23.491   0.254  -6.815
  711   1HE2  GLN  94          HE22      GLN  94  21.556   1.048  -4.775
  712   2HE2  GLN  94          HE21      GLN  94  21.636   2.785  -4.611
  713    H    PHE  95           H        PHE  95  22.592  -3.282  -4.667
  714    HA   PHE  95           HA       PHE  95  22.708  -3.423  -1.715
  715   1HB   PHE  95          HB2       PHE  95  20.483  -3.834  -3.710
  716   2HB   PHE  95          HB3       PHE  95  20.284  -3.769  -1.954
  717    HD1  PHE  95           HD1      PHE  95  18.981  -2.127  -4.236
  718    HD2  PHE  95           HD2      PHE  95  22.198  -1.245  -1.497
  719    HE1  PHE  95           HE1      PHE  95  18.382   0.275  -4.275
  720    HE2  PHE  95           HE2      PHE  95  21.691   1.124  -1.655
  721    HZ   PHE  95           HZ       PHE  95  19.724   1.904  -2.955
  722    H    GLY  96           H        GLY  96  23.770  -5.517  -4.019
  723   1HA   GLY  96          HA2       GLY  96  24.345  -7.751  -3.762
  724   2HA   GLY  96          HA3       GLY  96  23.670  -7.705  -2.130
  725    H    ARG  97           H        ARG  97  22.289  -7.250  -5.404
  726    HA   ARG  97           HA       ARG  97  20.510  -8.134  -6.483
  727   1HB   ARG  97          HB2       ARG  97  21.792 -10.557  -5.249
  728   2HB   ARG  97          HB3       ARG  97  20.250 -10.760  -6.050
  729   1HG   ARG  97          HG2       ARG  97  21.960 -11.234  -7.633
  730   2HG   ARG  97          HG3       ARG  97  21.084  -9.792  -8.118
  731   1HD   ARG  97          HD2       ARG  97  23.416  -9.465  -8.576
  732   2HD   ARG  97          HD3       ARG  97  22.957  -8.381  -7.271
  733    HE   ARG  97           HE       ARG  97  24.142 -11.024  -6.608
  734   1HH1  ARG  97          HH21      ARG  97  24.610  -7.477  -6.629
  735   2HH1  ARG  97          HH22      ARG  97  26.155  -7.571  -5.862
  736   1HH2  ARG  97          HH11      ARG  97  26.125 -11.090  -5.489
  737   2HH2  ARG  97          HH12      ARG  97  26.990  -9.646  -5.137
  738    H    TYR  98           H        TYR  98  19.824  -6.748  -4.090
  739    HA   TYR  98           HA       TYR  98  17.234  -7.865  -3.307
  740   1HB   TYR  98          HB2       TYR  98  18.583  -5.174  -3.096
  741   2HB   TYR  98          HB3       TYR  98  16.849  -5.271  -2.951
  742    HD1  TYR  98           HD1      TYR  98  19.574  -7.540  -1.575
  743    HD2  TYR  98           HD2      TYR  98  16.213  -4.950  -0.767
  744    HE1  TYR  98           HE1      TYR  98  19.714  -8.111   0.816
  745    HE2  TYR  98           HE2      TYR  98  16.350  -5.515   1.631
  746    HH   TYR  98           HH       TYR  98  17.472  -6.740   3.272
  747    H    ARG  99           H        ARG  99  18.387  -7.197  -6.296
  748    HA   ARG  99           HA       ARG  99  16.569  -5.583  -7.594
  749   1HB   ARG  99          HB2       ARG  99  17.288  -6.553  -9.662
  750   2HB   ARG  99          HB3       ARG  99  18.662  -6.371  -8.581
  751   1HG   ARG  99          HG2       ARG  99  18.611  -8.793  -8.074
  752   2HG   ARG  99          HG3       ARG  99  17.149  -8.979  -9.057
  753   1HD   ARG  99          HD2       ARG  99  18.459  -8.240 -11.062
  754   2HD   ARG  99          HD3       ARG  99  19.928  -8.265 -10.063
  755    HE   ARG  99           HE       ARG  99  18.773 -10.740  -9.653
  756   1HH1  ARG  99          HH21      ARG  99  19.954  -8.999 -12.535
  757   2HH1  ARG  99          HH22      ARG  99  20.220 -10.450 -13.440
  758   1HH2  ARG  99          HH11      ARG  99  19.218 -12.642 -10.843
  759   2HH2  ARG  99          HH12      ARG  99  19.850 -12.551 -12.440
  760    H    ASP 100           H        ASP 100  15.747  -8.611  -6.191
  761    HA   ASP 100           HA       ASP 100  13.636  -9.506  -7.824
  762   1HB   ASP 100          HB2       ASP 100  14.422 -10.722  -5.861
  763   2HB   ASP 100          HB3       ASP 100  13.883  -9.419  -4.797
  764    H    LYS 101           H        LYS 101  13.736  -6.676  -5.589
  765    HA   LYS 101           HA       LYS 101  10.876  -6.158  -5.841
  766   1HB   LYS 101          HB2       LYS 101  13.110  -4.247  -5.026
  767   2HB   LYS 101          HB3       LYS 101  11.375  -3.993  -4.833
  768   1HG   LYS 101          HG2       LYS 101  11.378  -6.108  -3.347
  769   2HG   LYS 101          HG3       LYS 101  13.150  -5.946  -3.347
  770   1HD   LYS 101          HD2       LYS 101  12.767  -3.498  -2.613
  771   2HD   LYS 101          HD3       LYS 101  11.074  -3.936  -2.366
  772   1HE   LYS 101          HE2       LYS 101  11.799  -5.739  -0.791
  773   2HE   LYS 101          HE3       LYS 101  13.481  -5.231  -1.021
  774   1HZ   LYS 101          HZ1       LYS 101  12.469  -4.239   0.974
  775   2HZ   LYS 101          HZ2       LYS 101  12.874  -3.055  -0.109
  776   3HZ   LYS 101          HZ3       LYS 101  11.330  -3.481   0.072
  777    H    VAL 102           H        VAL 102  13.468  -5.720  -8.081
  778    HA   VAL 102           HA       VAL 102  12.455  -3.138  -9.016
  779    HB   VAL 102           HB       VAL 102  14.966  -4.584  -9.878
  780   1HG1  VAL 102          HG11      VAL 102  14.066  -1.668 -10.061
  781   2HG1  VAL 102          HG12      VAL 102  15.688  -2.238 -10.485
  782   3HG1  VAL 102          HG13      VAL 102  14.289  -2.786 -11.413
  783   1HG2  VAL 102          HG21      VAL 102  14.959  -2.355  -7.814
  784   2HG2  VAL 102          HG22      VAL 102  15.034  -4.059  -7.360
  785   3HG2  VAL 102          HG23      VAL 102  16.301  -3.352  -8.367
  786    H    PHE 103           H        PHE 103  11.588  -2.858 -11.030
  787    HA   PHE 103           HA       PHE 103  11.744  -5.040 -13.023
  788   1HB   PHE 103          HB2       PHE 103   9.280  -3.394 -12.307
  789   2HB   PHE 103          HB3       PHE 103   9.439  -4.389 -13.749
  790    HD1  PHE 103           HD1      PHE 103   9.055  -6.760 -13.697
  791    HD2  PHE 103           HD2      PHE 103   9.300  -4.523 -10.013
  792    HE1  PHE 103           HE1      PHE 103   8.203  -8.723 -12.441
  793    HE2  PHE 103           HE2      PHE 103   8.453  -6.491  -8.763
  794    HZ   PHE 103           HZ       PHE 103   7.900  -8.595  -9.975
  795    H    THR 104           H        THR 104  11.884  -4.192 -15.163
  796    HA   THR 104           HA       THR 104  12.952  -1.481 -15.259
  797    HB   THR 104           HB       THR 104  12.431  -3.028 -17.782
  798    HG1  THR 104           HG1      THR 104  13.288  -4.625 -16.316
  799   1HG2  THR 104          HG21      THR 104  14.705  -2.174 -18.303
  800   2HG2  THR 104          HG22      THR 104  13.598  -0.857 -17.872
  801   3HG2  THR 104          HG23      THR 104  14.770  -1.452 -16.670
  802    H    LEU 105           H        LEU 105  12.074   0.215 -16.603
  803    HA   LEU 105           HA       LEU 105   9.461   0.731 -16.014
  804   1HB   LEU 105          HB2       LEU 105  11.155   2.415 -16.526
  805   2HB   LEU 105          HB3       LEU 105  11.019   2.030 -18.250
  806    HG   LEU 105           HG       LEU 105   8.666   2.752 -18.236
  807   1HD1  LEU 105          HD11      LEU 105   7.769   4.017 -16.219
  808   2HD1  LEU 105          HD12      LEU 105   7.893   2.284 -15.964
  809   3HD1  LEU 105          HD13      LEU 105   9.125   3.378 -15.278
  810   1HD2  LEU 105          HD21      LEU 105  10.416   4.397 -18.696
  811   2HD2  LEU 105          HD22      LEU 105   9.038   5.161 -17.879
  812   3HD2  LEU 105          HD23      LEU 105  10.516   4.789 -16.972
  813    H    LYS 106           H        LYS 106  10.484  -0.240 -19.358
  814    HA   LYS 106           HA       LYS 106   7.641  -0.606 -20.012
  815   1HB   LYS 106          HB2       LYS 106  10.167  -1.334 -21.528
  816   2HB   LYS 106          HB3       LYS 106   8.554  -1.600 -22.154
  817   1HG   LYS 106          HG2       LYS 106   9.527   1.170 -21.327
  818   2HG   LYS 106          HG3       LYS 106   9.737   0.517 -22.955
  819   1HD   LYS 106          HD2       LYS 106   7.346   0.352 -23.304
  820   2HD   LYS 106          HD3       LYS 106   7.018   0.725 -21.618
  821   1HE   LYS 106          HE2       LYS 106   6.515   2.673 -22.883
  822   2HE   LYS 106          HE3       LYS 106   7.945   3.009 -21.908
  823   1HZ   LYS 106          HZ1       LYS 106   9.295   2.861 -23.867
  824   2HZ   LYS 106          HZ2       LYS 106   8.041   2.293 -24.786
  825   3HZ   LYS 106          HZ3       LYS 106   8.021   3.829 -24.217
  826    H    GLU 107           H        GLU 107  10.108  -2.634 -18.551
  827    HA   GLU 107           HA       GLU 107   9.078  -5.167 -19.371
  828   1HB   GLU 107          HB2       GLU 107  11.316  -4.890 -18.437
  829   2HB   GLU 107          HB3       GLU 107  10.626  -4.334 -16.908
  830   1HG   GLU 107          HG2       GLU 107   9.625  -6.574 -16.544
  831   2HG   GLU 107          HG3       GLU 107  10.366  -7.125 -18.056
  832    H    TYR 108           H        TYR 108   8.353  -3.100 -16.531
  833    HA   TYR 108           HA       TYR 108   6.633  -4.894 -15.198
  834   1HB   TYR 108          HB2       TYR 108   7.684  -2.818 -14.282
  835   2HB   TYR 108          HB3       TYR 108   6.587  -1.850 -15.247
  836    HD1  TYR 108           HD1      TYR 108   4.309  -1.459 -14.530
  837    HD2  TYR 108           HD2      TYR 108   6.800  -4.251 -12.392
  838    HE1  TYR 108           HE1      TYR 108   2.653  -1.520 -12.689
  839    HE2  TYR 108           HE2      TYR 108   5.173  -4.291 -10.532
  840    HH   TYR 108           HH       TYR 108   3.188  -3.397  -9.693
  841    H    VAL 109           H        VAL 109   6.035  -3.105 -18.108
  842    HA   VAL 109           HA       VAL 109   3.074  -3.381 -17.779
  843    HB   VAL 109           HB       VAL 109   4.641  -1.330 -19.392
  844   1HG1  VAL 109          HG11      VAL 109   1.725  -1.471 -18.512
  845   2HG1  VAL 109          HG12      VAL 109   2.480  -0.082 -19.323
  846   3HG1  VAL 109          HG13      VAL 109   2.329  -1.625 -20.178
  847   1HG2  VAL 109          HG21      VAL 109   4.011   0.259 -17.582
  848   2HG2  VAL 109          HG22      VAL 109   3.439  -1.110 -16.607
  849   3HG2  VAL 109          HG23      VAL 109   5.164  -0.940 -17.035
  850    H    THR 110           H        THR 110   5.579  -3.249 -20.402
  851    HA   THR 110           HA       THR 110   3.731  -4.491 -22.290
  852    HB   THR 110           HB       THR 110   5.512  -4.188 -23.891
  853    HG1  THR 110           HG1      THR 110   7.146  -3.460 -21.673
  854   1HG2  THR 110          HG21      THR 110   4.201  -2.157 -23.270
  855   2HG2  THR 110          HG22      THR 110   5.466  -1.707 -22.107
  856   3HG2  THR 110          HG23      THR 110   5.836  -1.791 -23.840
  857    H    GLY 111           H        GLY 111   6.091  -5.583 -20.005
  858   1HA   GLY 111          HA2       GLY 111   6.609  -7.781 -19.431
  859   2HA   GLY 111          HA3       GLY 111   5.919  -8.370 -20.946
  860    H    SER 112           H        SER 112   8.015  -5.731 -21.658
  861    HA   SER 112           HA       SER 112  10.386  -7.477 -22.010
  862   1HB   SER 112          HB2       SER 112   9.134  -5.639 -24.096
  863   2HB   SER 112          HB3       SER 112  10.607  -6.603 -24.297
  864    HG   SER 112           HG       SER 112   8.754  -7.608 -25.213
  865    H    HIS 113           H        HIS 113  12.385  -6.352 -21.929
  866    HA   HIS 113           HA       HIS 113  12.460  -4.038 -20.306
  867   1HB   HIS 113          HB2       HIS 113  14.625  -5.127 -22.150
  868   2HB   HIS 113          HB3       HIS 113  14.867  -3.965 -20.850
  869    HD1  HIS 113           HD1      HIS 113  14.380  -5.016 -18.243
  870    HD2  HIS 113           HD2      HIS 113  14.834  -7.648 -21.514
  871    HE1  HIS 113           HE1      HIS 113  14.858  -7.308 -17.273
  872    H    GLY 114           H        GLY 114  12.925  -1.859 -20.757
  873   1HA   GLY 114          HA2       GLY 114  13.716  -0.599 -23.041
  874   2HA   GLY 114          HA3       GLY 114  11.968  -0.810 -23.269
  875    H    ASP 115           H        ASP 115  12.516   1.693 -23.172
  876    HA   ASP 115           HA       ASP 115  11.922   2.702 -20.474
  877   1HB   ASP 115          HB2       ASP 115  14.419   2.830 -20.987
  878   2HB   ASP 115          HB3       ASP 115  14.020   3.881 -22.336
  879    H    VAL 116           H        VAL 116  11.302   5.086 -20.719
  880    HA   VAL 116           HA       VAL 116   9.542   5.552 -23.072
  881    HB   VAL 116           HB       VAL 116   9.861   6.922 -20.367
  882   1HG1  VAL 116          HG11      VAL 116   9.098   8.672 -21.856
  883   2HG1  VAL 116          HG12      VAL 116   7.885   7.589 -22.582
  884   3HG1  VAL 116          HG13      VAL 116   7.731   8.132 -20.901
  885   1HG2  VAL 116          HG21      VAL 116   7.646   6.015 -19.870
  886   2HG2  VAL 116          HG22      VAL 116   7.540   5.297 -21.491
  887   3HG2  VAL 116          HG23      VAL 116   8.721   4.690 -20.311
  888    H    LEU 117           H        LEU 117   9.751   8.012 -23.802
  889    HA   LEU 117           HA       LEU 117  12.267   8.650 -24.922
  890   1HB   LEU 117          HB2       LEU 117   9.860   9.489 -25.418
  891   2HB   LEU 117          HB3       LEU 117  10.075  10.587 -24.067
  892    HG   LEU 117           HG       LEU 117  11.641  10.531 -26.685
  893   1HD1  LEU 117          HD11      LEU 117   9.696  12.570 -25.536
  894   2HD1  LEU 117          HD12      LEU 117  10.509  12.663 -27.113
  895   3HD1  LEU 117          HD13      LEU 117   9.322  11.387 -26.810
  896   1HD2  LEU 117          HD21      LEU 117  12.585  12.738 -25.954
  897   2HD2  LEU 117          HD22      LEU 117  12.017  12.386 -24.308
  898   3HD2  LEU 117          HD23      LEU 117  13.237  11.355 -25.110
  899    H    ASP 118           H        ASP 118  14.074   9.556 -23.921
  900    HA   ASP 118           HA       ASP 118  13.915  10.485 -21.103
  901   1HB   ASP 118          HB2       ASP 118  15.692   8.959 -21.401
  902   2HB   ASP 118          HB3       ASP 118  16.240   9.764 -22.878
  903    HA   PRO 119           HA       PRO 119  13.779  14.399 -23.392
  904   1HB   PRO 119          HB2       PRO 119  12.458  15.962 -21.614
  905   2HB   PRO 119          HB3       PRO 119  11.632  14.644 -22.465
  906   1HG   PRO 119          HG2       PRO 119  12.890  14.551 -19.691
  907   2HG   PRO 119          HG3       PRO 119  11.218  14.094 -20.146
  908   1HD   PRO 119          HD2       PRO 119  13.223  12.248 -19.966
  909   2HD   PRO 119          HD3       PRO 119  11.970  12.144 -21.241
  910    H    PHE 120           H        PHE 120  15.740  13.629 -20.679
  911    HA   PHE 120           HA       PHE 120  16.169  15.990 -19.407
  912   1HB   PHE 120          HB2       PHE 120  17.086  13.857 -18.689
  913   2HB   PHE 120          HB3       PHE 120  18.283  13.913 -19.978
  914    HD1  PHE 120           HD1      PHE 120  17.068  15.788 -16.932
  915    HD2  PHE 120           HD2      PHE 120  20.360  15.053 -19.634
  916    HE1  PHE 120           HE1      PHE 120  18.568  17.097 -15.466
  917    HE2  PHE 120           HE2      PHE 120  21.854  16.372 -18.157
  918    HZ   PHE 120           HZ       PHE 120  20.963  17.397 -16.071
  919    H    GLY 121           H        GLY 121  16.540  17.961 -20.151
  920   1HA   GLY 121          HA2       GLY 121  17.989  19.662 -20.795
  921   2HA   GLY 121          HA3       GLY 121  19.011  18.509 -21.661
  922    H    GLY 122           H        GLY 122  15.788  17.896 -22.564
  923   1HA   GLY 122          HA2       GLY 122  16.104  19.104 -25.191
  924   2HA   GLY 122          HA3       GLY 122  14.756  18.135 -24.583
  925    H    SER 123           H        SER 123  13.893  20.094 -26.028
  926    HA   SER 123           HA       SER 123  13.392  22.590 -24.605
  927   1HB   SER 123          HB2       SER 123  12.008  21.384 -27.044
  928   2HB   SER 123          HB3       SER 123  11.984  23.080 -26.530
  929    HG   SER 123           HG       SER 123  13.490  22.704 -28.219
  930    H    ILE 124           H        ILE 124  11.044  23.170 -24.115
  931    HA   ILE 124           HA       ILE 124   9.812  21.364 -22.377
  932    HB   ILE 124           HB       ILE 124   9.412  23.727 -22.264
  933   1HG1  ILE 124          HG12      ILE 124   6.985  23.871 -22.013
  934   2HG1  ILE 124          HG13      ILE 124   6.757  22.397 -22.949
  935   1HG2  ILE 124          HG21      ILE 124   9.490  24.359 -24.652
  936   2HG2  ILE 124          HG22      ILE 124   7.912  23.576 -24.912
  937   3HG2  ILE 124          HG23      ILE 124   8.052  24.991 -23.859
  938   1HD1  ILE 124          HD11      ILE 124   7.842  21.071 -21.193
  939   2HD1  ILE 124          HD12      ILE 124   8.261  22.553 -20.300
  940   3HD1  ILE 124          HD13      ILE 124   6.561  22.066 -20.489
  941    H    ASP 125           H        ASP 125   9.390  21.706 -25.862
  942    HA   ASP 125           HA       ASP 125   7.096  20.107 -26.183
  943   1HB   ASP 125          HB2       ASP 125   8.030  21.441 -28.005
  944   2HB   ASP 125          HB3       ASP 125   9.466  20.411 -28.052
  945    H    ILE 126           H        ILE 126  10.475  19.148 -25.666
  946    HA   ILE 126           HA       ILE 126  10.045  16.370 -26.406
  947    HB   ILE 126           HB       ILE 126  12.306  17.516 -24.740
  948   1HG1  ILE 126          HG12      ILE 126  12.284  18.819 -26.795
  949   2HG1  ILE 126          HG13      ILE 126  13.629  17.697 -26.814
  950   1HG2  ILE 126          HG21      ILE 126  12.130  15.061 -24.729
  951   2HG2  ILE 126          HG22      ILE 126  12.117  15.022 -26.488
  952   3HG2  ILE 126          HG23      ILE 126  13.568  15.579 -25.621
  953   1HD1  ILE 126          HD11      ILE 126  12.395  16.211 -28.380
  954   2HD1  ILE 126          HD12      ILE 126  11.007  17.325 -28.335
  955   3HD1  ILE 126          HD13      ILE 126  12.553  17.855 -29.015
  956    H    TYR 127           H        TYR 127   9.994  18.274 -23.403
  957    HA   TYR 127           HA       TYR 127   9.533  15.976 -21.711
  958   1HB   TYR 127          HB2       TYR 127   9.108  18.945 -21.259
  959   2HB   TYR 127          HB3       TYR 127   8.705  17.721 -20.064
  960    HD1  TYR 127           HD1      TYR 127  11.534  19.196 -21.980
  961    HD2  TYR 127           HD2      TYR 127  10.394  16.634 -18.730
  962    HE1  TYR 127           HE1      TYR 127  13.883  19.180 -21.185
  963    HE2  TYR 127           HE2      TYR 127  12.733  16.589 -17.933
  964    HH   TYR 127           HH       TYR 127  14.869  17.427 -18.213
  965    H    LYS 128           H        LYS 128   7.488  18.210 -23.556
  966    HA   LYS 128           HA       LYS 128   5.015  17.158 -22.560
  967   1HB   LYS 128          HB2       LYS 128   4.683  19.215 -23.351
  968   2HB   LYS 128          HB3       LYS 128   5.865  19.098 -24.617
  969   1HG   LYS 128          HG2       LYS 128   3.186  17.686 -24.899
  970   2HG   LYS 128          HG3       LYS 128   3.384  19.413 -25.212
  971   1HD   LYS 128          HD2       LYS 128   5.306  18.821 -26.774
  972   2HD   LYS 128          HD3       LYS 128   4.760  17.140 -26.691
  973   1HE   LYS 128          HE2       LYS 128   2.552  17.802 -27.579
  974   2HE   LYS 128          HE3       LYS 128   3.036  19.505 -27.535
  975   1HZ   LYS 128          HZ1       LYS 128   4.204  17.418 -29.273
  976   2HZ   LYS 128          HZ2       LYS 128   3.331  18.714 -29.740
  977   3HZ   LYS 128          HZ3       LYS 128   4.837  18.925 -29.114
  978    H    GLN 129           H        GLN 129   7.056  16.182 -25.319
  979    HA   GLN 129           HA       GLN 129   5.225  14.175 -26.224
  980   1HB   GLN 129          HB2       GLN 129   8.266  14.406 -26.437
  981   2HB   GLN 129          HB3       GLN 129   7.345  13.080 -27.150
  982   1HG   GLN 129          HG2       GLN 129   6.090  14.678 -28.558
  983   2HG   GLN 129          HG3       GLN 129   7.000  16.017 -27.864
  984   1HE2  GLN 129          HE22      GLN 129   8.539  16.742 -29.375
  985   2HE2  GLN 129          HE21      GLN 129   9.513  15.659 -30.348
  986    H    THR 130           H        THR 130   7.867  14.154 -23.856
  987    HA   THR 130           HA       THR 130   7.734  11.404 -23.224
  988    HB   THR 130           HB       THR 130   8.575  13.768 -21.479
  989    HG1  THR 130           HG1      THR 130   9.771  13.711 -23.345
  990   1HG2  THR 130          HG21      THR 130   9.333  10.832 -21.263
  991   2HG2  THR 130          HG22      THR 130   9.968  12.155 -20.263
  992   3HG2  THR 130          HG23      THR 130   8.274  11.702 -20.133
  993    H    ARG 131           H        ARG 131   6.045  14.190 -21.731
  994    HA   ARG 131           HA       ARG 131   4.999  12.602 -19.624
  995   1HB   ARG 131          HB2       ARG 131   3.784  14.441 -18.878
  996   2HB   ARG 131          HB3       ARG 131   5.205  15.143 -19.649
  997   1HG   ARG 131          HG2       ARG 131   3.747  15.410 -21.735
  998   2HG   ARG 131          HG3       ARG 131   2.358  14.979 -20.741
  999   1HD   ARG 131          HD2       ARG 131   2.785  16.954 -19.304
 1000   2HD   ARG 131          HD3       ARG 131   4.227  17.326 -20.269
 1001    HE   ARG 131           HE       ARG 131   2.013  17.087 -22.024
 1002   1HH1  ARG 131          HH21      ARG 131   2.973  19.394 -19.430
 1003   2HH1  ARG 131          HH22      ARG 131   2.610  20.761 -20.474
 1004   1HH2  ARG 131          HH11      ARG 131   1.350  19.032 -23.156
 1005   2HH2  ARG 131          HH12      ARG 131   1.681  20.574 -22.393
 1006    H    ASP 132           H        ASP 132   3.842  13.136 -22.918
 1007    HA   ASP 132           HA       ASP 132   1.204  12.130 -22.426
 1008   1HB   ASP 132          HB2       ASP 132   1.692  13.496 -24.397
 1009   2HB   ASP 132          HB3       ASP 132   2.849  12.296 -24.980
 1010    H    GLU 133           H        GLU 133   4.262  10.590 -23.476
 1011    HA   GLU 133           HA       GLU 133   2.982   8.011 -23.826
 1012   1HB   GLU 133          HB2       GLU 133   5.062   8.658 -25.031
 1013   2HB   GLU 133          HB3       GLU 133   5.942   8.689 -23.495
 1014   1HG   GLU 133          HG2       GLU 133   5.444   6.272 -23.165
 1015   2HG   GLU 133          HG3       GLU 133   4.539   6.244 -24.678
 1016    H    LEU 134           H        LEU 134   4.820   9.644 -21.318
 1017    HA   LEU 134           HA       LEU 134   5.078   7.538 -19.483
 1018   1HB   LEU 134          HB2       LEU 134   6.332   9.719 -19.516
 1019   2HB   LEU 134          HB3       LEU 134   4.851  10.534 -19.005
 1020    HG   LEU 134           HG       LEU 134   4.917   9.322 -16.867
 1021   1HD1  LEU 134          HD11      LEU 134   7.547   8.199 -17.935
 1022   2HD1  LEU 134          HD12      LEU 134   7.018   8.097 -16.243
 1023   3HD1  LEU 134          HD13      LEU 134   6.098   7.261 -17.495
 1024   1HD2  LEU 134          HD21      LEU 134   6.877  10.515 -15.940
 1025   2HD2  LEU 134          HD22      LEU 134   7.511  10.761 -17.579
 1026   3HD2  LEU 134          HD23      LEU 134   5.999  11.535 -17.088
 1027    H    GLU 135           H        GLU 135   2.458   9.979 -19.881
 1028    HA   GLU 135           HA       GLU 135   1.069   9.099 -17.563
 1029   1HB   GLU 135          HB2       GLU 135   0.712  11.312 -18.675
 1030   2HB   GLU 135          HB3       GLU 135  -0.133  10.485 -20.000
 1031   1HG   GLU 135          HG2       GLU 135  -1.844   9.684 -18.428
 1032   2HG   GLU 135          HG3       GLU 135  -0.891  10.278 -17.064
 1033    H    GLU 136           H        GLU 136   0.939   8.025 -20.953
 1034    HA   GLU 136           HA       GLU 136  -1.347   6.355 -20.551
 1035   1HB   GLU 136          HB2       GLU 136  -0.572   7.143 -22.777
 1036   2HB   GLU 136          HB3       GLU 136   0.874   6.131 -22.632
 1037   1HG   GLU 136          HG2       GLU 136  -0.537   4.101 -22.558
 1038   2HG   GLU 136          HG3       GLU 136  -1.996   5.093 -22.595
 1039    H    LEU 137           H        LEU 137   2.156   5.788 -20.344
 1040    HA   LEU 137           HA       LEU 137   2.007   2.993 -19.830
 1041   1HB   LEU 137          HB2       LEU 137   4.083   4.359 -20.481
 1042   2HB   LEU 137          HB3       LEU 137   4.096   4.972 -18.827
 1043    HG   LEU 137           HG       LEU 137   4.049   2.422 -18.143
 1044   1HD1  LEU 137          HD11      LEU 137   5.197   0.955 -19.788
 1045   2HD1  LEU 137          HD12      LEU 137   3.652   1.532 -20.442
 1046   3HD1  LEU 137          HD13      LEU 137   5.164   2.266 -20.985
 1047   1HD2  LEU 137          HD21      LEU 137   6.453   2.311 -18.148
 1048   2HD2  LEU 137          HD22      LEU 137   6.554   3.628 -19.350
 1049   3HD2  LEU 137          HD23      LEU 137   5.917   3.942 -17.718
 1050    H    LEU 138           H        LEU 138   2.064   5.842 -17.701
 1051    HA   LEU 138           HA       LEU 138   2.108   4.291 -15.292
 1052   1HB   LEU 138          HB2       LEU 138   1.538   7.208 -15.854
 1053   2HB   LEU 138          HB3       LEU 138   1.540   6.542 -14.232
 1054    HG   LEU 138           HG       LEU 138   3.947   6.448 -16.111
 1055   1HD1  LEU 138          HD11      LEU 138   3.435   8.207 -13.683
 1056   2HD1  LEU 138          HD12      LEU 138   4.880   8.184 -14.719
 1057   3HD1  LEU 138          HD13      LEU 138   3.338   8.724 -15.389
 1058   1HD2  LEU 138          HD21      LEU 138   5.258   5.916 -14.096
 1059   2HD2  LEU 138          HD22      LEU 138   3.758   5.728 -13.172
 1060   3HD2  LEU 138          HD23      LEU 138   4.138   4.642 -14.538
 1061    H    ARG 139           H        ARG 139  -0.521   5.458 -17.355
 1062    HA   ARG 139           HA       ARG 139  -2.550   4.843 -15.430
 1063   1HB   ARG 139          HB2       ARG 139  -2.735   6.126 -17.755
 1064   2HB   ARG 139          HB3       ARG 139  -2.992   4.509 -18.409
 1065   1HG   ARG 139          HG2       ARG 139  -5.157   5.383 -17.984
 1066   2HG   ARG 139          HG3       ARG 139  -4.865   4.265 -16.641
 1067   1HD   ARG 139          HD2       ARG 139  -4.193   6.192 -15.210
 1068   2HD   ARG 139          HD3       ARG 139  -4.488   7.301 -16.545
 1069    HE   ARG 139           HE       ARG 139  -6.470   5.888 -14.856
 1070   1HH1  ARG 139          HH11      ARG 139  -6.090   7.832 -17.827
 1071   2HH1  ARG 139          HH12      ARG 139  -7.730   8.364 -17.807
 1072   1HH2  ARG 139          HH21      ARG 139  -8.490   6.499 -14.851
 1073   2HH2  ARG 139          HH22      ARG 139  -9.193   7.571 -16.051
 1074    H    GLN 140           H        GLN 140  -0.791   2.873 -17.831
 1075    HA   GLN 140           HA       GLN 140  -2.290   0.515 -17.178
 1076   1HB   GLN 140          HB2       GLN 140   0.435   0.692 -18.485
 1077   2HB   GLN 140          HB3       GLN 140  -0.567  -0.764 -18.314
 1078   1HG   GLN 140          HG2       GLN 140  -2.384   0.452 -19.615
 1079   2HG   GLN 140          HG3       GLN 140  -1.178   1.685 -20.002
 1080   1HE2  GLN 140          HE22      GLN 140   0.894   0.854 -21.121
 1081   2HE2  GLN 140          HE21      GLN 140   0.763  -0.552 -22.144
 1082    H    LEU 141           H        LEU 141   0.635   1.995 -15.736
 1083    HA   LEU 141           HA       LEU 141   1.206  -0.162 -13.965
 1084   1HB   LEU 141          HB2       LEU 141   1.562   2.824 -13.667
 1085   2HB   LEU 141          HB3       LEU 141   1.673   1.808 -12.247
 1086    HG   LEU 141           HG       LEU 141   3.486   0.504 -13.284
 1087   1HD1  LEU 141          HD11      LEU 141   3.543   2.649 -15.431
 1088   2HD1  LEU 141          HD12      LEU 141   4.672   1.299 -15.218
 1089   3HD1  LEU 141          HD13      LEU 141   2.984   0.988 -15.656
 1090   1HD2  LEU 141          HD21      LEU 141   3.634   3.432 -12.644
 1091   2HD2  LEU 141          HD22      LEU 141   4.234   2.039 -11.745
 1092   3HD2  LEU 141          HD23      LEU 141   5.094   2.597 -13.199
 1093    H    ALA 142           H        ALA 142  -1.175   2.478 -13.648
 1094    HA   ALA 142           HA       ALA 142  -2.152   1.614 -11.112
 1095   1HB   ALA 142          HB1       ALA 142  -2.587   3.868 -11.945
 1096   2HB   ALA 142          HB2       ALA 142  -3.582   3.223 -13.273
 1097   3HB   ALA 142          HB3       ALA 142  -4.109   3.028 -11.595
 1098    H    LYS 143           H        LYS 143  -3.098   0.793 -14.436
 1099    HA   LYS 143           HA       LYS 143  -5.289  -0.890 -13.836
 1100   1HB   LYS 143          HB2       LYS 143  -4.620  -0.063 -16.107
 1101   2HB   LYS 143          HB3       LYS 143  -3.264  -1.198 -16.086
 1102   1HG   LYS 143          HG2       LYS 143  -4.850  -3.099 -15.943
 1103   2HG   LYS 143          HG3       LYS 143  -6.201  -1.945 -16.026
 1104   1HD   LYS 143          HD2       LYS 143  -5.367  -1.155 -18.247
 1105   2HD   LYS 143          HD3       LYS 143  -3.991  -2.251 -18.121
 1106   1HE   LYS 143          HE2       LYS 143  -5.585  -3.279 -19.578
 1107   2HE   LYS 143          HE3       LYS 143  -5.560  -4.201 -18.075
 1108   1HZ   LYS 143          HZ1       LYS 143  -7.616  -2.192 -18.815
 1109   2HZ   LYS 143          HZ2       LYS 143  -7.811  -3.805 -18.873
 1110   3HZ   LYS 143          HZ3       LYS 143  -7.619  -3.070 -17.433
 1111    H    GLN 144           H        GLN 144  -1.800  -1.673 -14.048
 1112    HA   GLN 144           HA       GLN 144  -2.023  -4.445 -13.507
 1113   1HB   GLN 144          HB2       GLN 144   0.219  -2.481 -12.881
 1114   2HB   GLN 144          HB3       GLN 144   0.356  -4.199 -12.588
 1115   1HG   GLN 144          HG2       GLN 144  -0.302  -3.172 -15.369
 1116   2HG   GLN 144          HG3       GLN 144   1.347  -3.195 -14.757
 1117   1HE2  GLN 144          HE21      GLN 144   2.492  -5.005 -15.448
 1118   2HE2  GLN 144          HE22      GLN 144   1.770  -6.581 -15.661
 1119    H    LEU 145           H        LEU 145  -1.522  -1.695 -11.213
 1120    HA   LEU 145           HA       LEU 145  -1.505  -3.390  -8.912
 1121   1HB   LEU 145          HB2       LEU 145  -2.012  -0.406  -9.216
 1122   2HB   LEU 145          HB3       LEU 145  -1.851  -1.216  -7.660
 1123    HG   LEU 145           HG       LEU 145   0.317  -1.135  -9.805
 1124   1HD1  LEU 145          HD11      LEU 145   1.455   0.416  -8.338
 1125   2HD1  LEU 145          HD12      LEU 145  -0.149   1.051  -8.711
 1126   3HD1  LEU 145          HD13      LEU 145   0.152   0.304  -7.128
 1127   1HD2  LEU 145          HD21      LEU 145   0.358  -2.249  -6.963
 1128   2HD2  LEU 145          HD22      LEU 145   0.591  -3.160  -8.475
 1129   3HD2  LEU 145          HD23      LEU 145   1.795  -1.979  -7.978
 1130    H    LYS 146           H        LYS 146  -4.212  -1.607 -10.468
 1131    HA   LYS 146           HA       LYS 146  -6.106  -2.295  -8.397
 1132   1HB   LYS 146          HB2       LYS 146  -6.225  -1.146 -11.163
 1133   2HB   LYS 146          HB3       LYS 146  -7.662  -2.034 -10.634
 1134   1HG   LYS 146          HG2       LYS 146  -7.733  -0.661  -8.558
 1135   2HG   LYS 146          HG3       LYS 146  -6.359   0.287  -9.162
 1136   1HD   LYS 146          HD2       LYS 146  -7.674   1.031 -11.095
 1137   2HD   LYS 146          HD3       LYS 146  -9.031  -0.015 -10.608
 1138   1HE   LYS 146          HE2       LYS 146  -9.219   1.237  -8.463
 1139   2HE   LYS 146          HE3       LYS 146  -7.893   2.290  -8.967
 1140   1HZ   LYS 146          HZ1       LYS 146  -9.960   3.342  -9.402
 1141   2HZ   LYS 146          HZ2       LYS 146  -9.277   2.995 -10.855
 1142   3HZ   LYS 146          HZ3       LYS 146 -10.532   2.082 -10.294
 1143    H    LYS 147           H        LYS 147  -5.074  -3.934 -11.428
 1144    HA   LYS 147           HA       LYS 147  -6.975  -6.043 -11.315
 1145   1HB   LYS 147          HB2       LYS 147  -5.669  -5.505 -13.308
 1146   2HB   LYS 147          HB3       LYS 147  -4.168  -5.902 -12.465
 1147   1HG   LYS 147          HG2       LYS 147  -4.859  -8.280 -12.319
 1148   2HG   LYS 147          HG3       LYS 147  -6.398  -7.881 -13.097
 1149   1HD   LYS 147          HD2       LYS 147  -4.835  -8.876 -14.702
 1150   2HD   LYS 147          HD3       LYS 147  -5.206  -7.202 -15.148
 1151   1HE   LYS 147          HE2       LYS 147  -3.070  -6.458 -14.103
 1152   2HE   LYS 147          HE3       LYS 147  -2.702  -8.123 -13.647
 1153   1HZ   LYS 147          HZ1       LYS 147  -1.608  -7.297 -15.671
 1154   2HZ   LYS 147          HZ2       LYS 147  -2.469  -8.675 -15.950
 1155   3HZ   LYS 147          HZ3       LYS 147  -3.040  -7.220 -16.448
 1156    H    ASP 148           H        ASP 148  -3.615  -5.814  -9.933
 1157    HA   ASP 148           HA       ASP 148  -4.275  -7.917  -7.966
 1158   1HB   ASP 148          HB2       ASP 148  -3.589  -9.223  -9.920
 1159   2HB   ASP 148          HB3       ASP 148  -2.186  -8.184 -10.172
 1160    H    ARG 149           H        ARG 149  -2.888  -7.849  -6.177
 1161    HA   ARG 149           HA       ARG 149  -1.134  -5.549  -5.815
 1162   1HB   ARG 149          HB2       ARG 149  -2.368  -6.361  -3.921
 1163   2HB   ARG 149          HB3       ARG 149  -1.753  -7.999  -4.126
 1164   1HG   ARG 149          HG2       ARG 149  -0.754  -6.816  -2.228
 1165   2HG   ARG 149          HG3       ARG 149   0.461  -7.343  -3.380
 1166   1HD   ARG 149          HD2       ARG 149   0.767  -5.067  -4.211
 1167   2HD   ARG 149          HD3       ARG 149  -0.634  -4.504  -3.293
 1168    HE   ARG 149           HE       ARG 149   0.523  -4.708  -1.278
 1169   1HH1  ARG 149          HH21      ARG 149   2.744  -5.498  -4.030
 1170   2HH1  ARG 149          HH22      ARG 149   4.144  -5.218  -3.045
 1171   1HH2  ARG 149          HH11      ARG 149   2.430  -4.668  -0.023
 1172   2HH2  ARG 149          HH12      ARG 149   3.978  -4.952  -0.761
 1173    H    ARG 150           H        ARG 150   0.148  -5.849  -7.674
 1174    HA   ARG 150           HA       ARG 150   1.970  -7.972  -8.127
 1175   1HB   ARG 150          HB2       ARG 150   2.519  -5.007  -8.524
 1176   2HB   ARG 150          HB3       ARG 150   3.308  -6.349  -9.338
 1177   1HG   ARG 150          HG2       ARG 150   0.467  -5.333  -9.738
 1178   2HG   ARG 150          HG3       ARG 150   1.788  -5.323 -10.895
 1179   1HD   ARG 150          HD2       ARG 150   0.338  -7.780  -9.865
 1180   2HD   ARG 150          HD3       ARG 150   0.125  -7.034 -11.443
 1181    HE   ARG 150           HE       ARG 150   2.511  -7.541 -11.908
 1182   1HH1  ARG 150          HH11      ARG 150   0.750  -9.648  -9.576
 1183   2HH1  ARG 150          HH12      ARG 150   1.879 -10.940  -9.767
 1184   1HH2  ARG 150          HH21      ARG 150   3.935  -9.300 -12.128
 1185   2HH2  ARG 150          HH22      ARG 150   3.684 -10.756 -11.247
  Start of MODEL   15
    1   1H    MET   1           H1       MET   1   1.115   0.410  -0.023
    2   2H    MET   1           H2       MET   1   1.157  -1.234  -0.031
    3   3H    MET   1           H3       MET   1   2.368  -0.377   0.667
    4    HA   MET   1           HA       MET   1   3.123  -1.212  -1.427
    5   1HB   MET   1          HB2       MET   1   0.920  -1.392  -2.518
    6   2HB   MET   1          HB3       MET   1   0.768   0.366  -2.580
    7   1HG   MET   1          HG2       MET   1   1.481  -0.711  -4.730
    8   2HG   MET   1          HG3       MET   1   2.577   0.542  -4.174
    9   1HE   MET   1          HE1       MET   1   3.780  -1.011  -6.356
   10   2HE   MET   1          HE2       MET   1   4.406  -2.651  -6.042
   11   3HE   MET   1          HE3       MET   1   2.664  -2.375  -6.105
   12    H    ASP   2           H        ASP   2   5.010  -0.074  -1.892
   13    HA   ASP   2           HA       ASP   2   4.894   2.856  -2.002
   14   1HB   ASP   2          HB2       ASP   2   5.536   2.495   0.281
   15   2HB   ASP   2          HB3       ASP   2   6.758   1.313  -0.204
   16    H    ILE   3           H        ILE   3   6.031   3.576  -3.689
   17    HA   ILE   3           HA       ILE   3   7.637   1.599  -5.215
   18    HB   ILE   3           HB       ILE   3   5.891   3.821  -6.312
   19   1HG1  ILE   3          HG12      ILE   3   5.166   0.877  -6.070
   20   2HG1  ILE   3          HG13      ILE   3   4.447   2.196  -5.155
   21   1HG2  ILE   3          HG21      ILE   3   7.270   1.473  -7.678
   22   2HG2  ILE   3          HG22      ILE   3   6.155   2.601  -8.481
   23   3HG2  ILE   3          HG23      ILE   3   7.674   3.191  -7.846
   24   1HD1  ILE   3          HD11      ILE   3   4.121   1.711  -8.124
   25   2HD1  ILE   3          HD12      ILE   3   2.906   1.645  -6.836
   26   3HD1  ILE   3          HD13      ILE   3   3.597   3.203  -7.297
   27    H    ILE   4           H        ILE   4   9.627   2.282  -6.031
   28    HA   ILE   4           HA       ILE   4  10.352   5.145  -5.723
   29    HB   ILE   4           HB       ILE   4  12.209   2.759  -5.669
   30   1HG1  ILE   4          HG12      ILE   4  11.752   4.681  -3.363
   31   2HG1  ILE   4          HG13      ILE   4  10.757   3.241  -3.545
   32   1HG2  ILE   4          HG21      ILE   4  12.784   5.744  -5.307
   33   2HG2  ILE   4          HG22      ILE   4  13.974   4.442  -5.143
   34   3HG2  ILE   4          HG23      ILE   4  13.256   4.759  -6.706
   35   1HD1  ILE   4          HD11      ILE   4  12.743   1.789  -3.520
   36   2HD1  ILE   4          HD12      ILE   4  13.796   3.199  -3.339
   37   3HD1  ILE   4          HD13      ILE   4  12.634   2.772  -2.071
   38    H    PHE   5           H        PHE   5  10.389   6.112  -7.675
   39    HA   PHE   5           HA       PHE   5  10.962   4.605 -10.142
   40   1HB   PHE   5          HB2       PHE   5  10.295   7.517  -9.568
   41   2HB   PHE   5          HB3       PHE   5  10.647   6.891 -11.158
   42    HD1  PHE   5           HD1      PHE   5   9.172   4.892 -12.020
   43    HD2  PHE   5           HD2      PHE   5   8.057   7.478  -8.749
   44    HE1  PHE   5           HE1      PHE   5   6.792   4.255 -12.322
   45    HE2  PHE   5           HE2      PHE   5   5.674   6.841  -9.071
   46    HZ   PHE   5           HZ       PHE   5   5.042   5.228 -10.848
   47    H    VAL   6           H        VAL   6  13.041   4.682 -11.121
   48    HA   VAL   6           HA       VAL   6  15.001   6.572  -9.966
   49    HB   VAL   6           HB       VAL   6  14.969   4.712  -8.467
   50   1HG1  VAL   6          HG11      VAL   6  15.739   2.847 -10.725
   51   2HG1  VAL   6          HG12      VAL   6  15.547   2.450  -9.006
   52   3HG1  VAL   6          HG13      VAL   6  14.135   2.913  -9.949
   53   1HG2  VAL   6          HG21      VAL   6  17.099   5.744  -8.732
   54   2HG2  VAL   6          HG22      VAL   6  17.344   4.015  -8.530
   55   3HG2  VAL   6          HG23      VAL   6  17.506   4.724 -10.138
   56    H    CYS   7           H        CYS   7  16.394   7.391 -11.232
   57    HA   CYS   7           HA       CYS   7  17.106   6.183 -13.862
   58   1HB   CYS   7          HB2       CYS   7  16.895   9.067 -12.949
   59   2HB   CYS   7          HB3       CYS   7  17.760   8.592 -14.418
   60    HG   CYS   7           HG       CYS   7  14.641   7.971 -13.605
   61    H    THR   8           H        THR   8  19.516   7.137 -14.491
   62    HA   THR   8           HA       THR   8  21.405   6.590 -12.415
   63    HB   THR   8           HB       THR   8  22.759   8.212 -14.156
   64    HG1  THR   8           HG1      THR   8  21.964   7.905 -16.181
   65   1HG2  THR   8          HG21      THR   8  22.145   5.241 -14.370
   66   2HG2  THR   8          HG22      THR   8  23.419   6.070 -15.297
   67   3HG2  THR   8          HG23      THR   8  23.493   6.004 -13.526
   68    H    GLY   9           H        GLY   9  20.377   9.678 -13.896
   69   1HA   GLY   9          HA2       GLY   9  20.842  11.094 -11.318
   70   2HA   GLY   9          HA3       GLY   9  20.781  11.818 -12.947
   71    H    ASN  10           H        ASN  10  18.947  11.106 -10.232
   72    HA   ASN  10           HA       ASN  10  16.533  10.182 -10.746
   73   1HB   ASN  10          HB2       ASN  10  17.125  11.034  -8.562
   74   2HB   ASN  10          HB3       ASN  10  17.319  12.666  -9.187
   75   1HD2  ASN  10          HD21      ASN  10  14.780  10.134  -8.729
   76   2HD2  ASN  10          HD22      ASN  10  13.517  11.306  -8.332
   77    H    THR  11           H        THR  11  17.506  13.503 -11.572
   78    HA   THR  11           HA       THR  11  15.022  14.564 -12.245
   79    HB   THR  11           HB       THR  11  16.572  16.327 -13.296
   80    HG1  THR  11           HG1      THR  11  18.775  15.979 -12.983
   81   1HG2  THR  11          HG21      THR  11  17.525  16.994 -11.135
   82   2HG2  THR  11          HG22      THR  11  15.885  16.357 -10.881
   83   3HG2  THR  11          HG23      THR  11  17.301  15.369 -10.477
   84    H    CYS  12           H        CYS  12  16.854  12.296 -14.160
   85    HA   CYS  12           HA       CYS  12  16.284  13.322 -16.740
   86   1HB   CYS  12          HB2       CYS  12  16.617  10.422 -15.881
   87   2HB   CYS  12          HB3       CYS  12  16.645  11.022 -17.547
   88    HG   CYS  12           HG       CYS  12  18.641  11.684 -15.006
   89    H    ARG  13           H        ARG  13  14.270  11.261 -14.603
   90    HA   ARG  13           HA       ARG  13  11.895  12.255 -15.872
   91   1HB   ARG  13          HB2       ARG  13  12.832  10.252 -17.435
   92   2HB   ARG  13          HB3       ARG  13  12.058   9.248 -16.212
   93   1HG   ARG  13          HG2       ARG  13   9.934  10.660 -16.602
   94   2HG   ARG  13          HG3       ARG  13  10.782  11.408 -17.957
   95   1HD   ARG  13          HD2       ARG  13  10.052   8.470 -17.624
   96   2HD   ARG  13          HD3       ARG  13   9.298   9.616 -18.718
   97    HE   ARG  13           HE       ARG  13  11.261   9.690 -20.085
   98   1HH1  ARG  13          HH21      ARG  13  11.157   6.957 -17.810
   99   2HH1  ARG  13          HH22      ARG  13  12.217   5.991 -18.808
  100   1HH2  ARG  13          HH11      ARG  13  12.723   8.404 -21.221
  101   2HH2  ARG  13          HH12      ARG  13  13.324   6.909 -20.554
  102    H    SER  14           H        SER  14  13.421  10.110 -13.454
  103    HA   SER  14           HA       SER  14  11.227   8.866 -12.456
  104   1HB   SER  14          HB2       SER  14  13.539   9.970 -10.842
  105   2HB   SER  14          HB3       SER  14  12.499   8.586 -10.432
  106    HG   SER  14           HG       SER  14  13.285   7.488 -12.202
  107    HA   PRO  15           HA       PRO  15   9.904  12.306  -9.534
  108   1HB   PRO  15          HB2       PRO  15  10.421  14.922  -9.959
  109   2HB   PRO  15          HB3       PRO  15  11.523  13.832  -9.060
  110   1HG   PRO  15          HG2       PRO  15  11.720  14.661 -11.969
  111   2HG   PRO  15          HG3       PRO  15  13.011  14.666 -10.721
  112   1HD   PRO  15          HD2       PRO  15  12.718  12.617 -12.461
  113   2HD   PRO  15          HD3       PRO  15  13.188  12.318 -10.761
  114    H    MET  16           H        MET  16   9.988  12.853 -13.058
  115    HA   MET  16           HA       MET  16   7.439  14.189 -13.221
  116   1HB   MET  16          HB2       MET  16   8.796  12.396 -15.282
  117   2HB   MET  16          HB3       MET  16   7.400  13.415 -15.557
  118   1HG   MET  16          HG2       MET  16   8.687  15.423 -15.294
  119   2HG   MET  16          HG3       MET  16  10.080  14.532 -14.676
  120   1HE   MET  16          HE1       MET  16   8.709  14.372 -19.115
  121   2HE   MET  16          HE2       MET  16   7.867  13.421 -17.875
  122   3HE   MET  16          HE3       MET  16   7.823  15.207 -17.823
  123    H    ALA  17           H        ALA  17   8.606  10.818 -13.347
  124    HA   ALA  17           HA       ALA  17   6.049   9.666 -13.751
  125   1HB   ALA  17          HB1       ALA  17   8.214   8.487 -14.218
  126   2HB   ALA  17          HB2       ALA  17   8.517   8.399 -12.469
  127   3HB   ALA  17          HB3       ALA  17   7.142   7.531 -13.171
  128    H    GLU  18           H        GLU  18   7.886  10.347 -10.807
  129    HA   GLU  18           HA       GLU  18   6.089   9.289  -8.916
  130   1HB   GLU  18          HB2       GLU  18   8.389  10.073  -8.413
  131   2HB   GLU  18          HB3       GLU  18   7.936  11.711  -8.868
  132   1HG   GLU  18          HG2       GLU  18   6.321  11.740  -6.922
  133   2HG   GLU  18          HG3       GLU  18   7.053  10.208  -6.405
  134    H    ALA  19           H        ALA  19   6.209  12.562 -10.347
  135    HA   ALA  19           HA       ALA  19   3.979  13.511  -8.846
  136   1HB   ALA  19          HB1       ALA  19   5.684  14.976  -9.893
  137   2HB   ALA  19          HB2       ALA  19   5.115  14.494 -11.509
  138   3HB   ALA  19          HB3       ALA  19   4.060  15.421 -10.425
  139    H    LEU  20           H        LEU  20   4.244  12.069 -12.069
  140    HA   LEU  20           HA       LEU  20   1.501  12.492 -12.709
  141   1HB   LEU  20          HB2       LEU  20   3.753  11.128 -13.994
  142   2HB   LEU  20          HB3       LEU  20   2.291  10.162 -14.094
  143    HG   LEU  20           HG       LEU  20   2.472  13.051 -15.020
  144   1HD1  LEU  20          HD11      LEU  20   2.400  12.093 -17.275
  145   2HD1  LEU  20          HD12      LEU  20   3.813  11.516 -16.386
  146   3HD1  LEU  20          HD13      LEU  20   2.403  10.453 -16.586
  147   1HD2  LEU  20          HD21      LEU  20   0.287  12.442 -16.160
  148   2HD2  LEU  20          HD22      LEU  20   0.242  10.978 -15.159
  149   3HD2  LEU  20          HD23      LEU  20   0.169  12.580 -14.408
  150    H    PHE  21           H        PHE  21   3.224   9.745 -11.138
  151    HA   PHE  21           HA       PHE  21   0.790   8.238 -11.194
  152   1HB   PHE  21          HB2       PHE  21   3.099   7.181 -11.057
  153   2HB   PHE  21          HB3       PHE  21   3.032   7.517  -9.322
  154    HD1  PHE  21           HD1      PHE  21   1.332   5.789 -12.166
  155    HD2  PHE  21           HD2      PHE  21   1.452   6.217  -7.881
  156    HE1  PHE  21           HE1      PHE  21  -0.400   4.055 -11.938
  157    HE2  PHE  21           HE2      PHE  21  -0.206   4.387  -7.667
  158    HZ   PHE  21           HZ       PHE  21  -1.190   3.357  -9.694
  159    H    LYS  22           H        LYS  22   2.188  10.486  -8.811
  160    HA   LYS  22           HA       LYS  22   0.256   9.937  -6.778
  161   1HB   LYS  22          HB2       LYS  22   1.711  12.506  -7.510
  162   2HB   LYS  22          HB3       LYS  22   0.625  12.370  -6.119
  163   1HG   LYS  22          HG2       LYS  22   2.006  10.599  -5.129
  164   2HG   LYS  22          HG3       LYS  22   3.039  10.579  -6.547
  165   1HD   LYS  22          HD2       LYS  22   3.657  12.970  -6.132
  166   2HD   LYS  22          HD3       LYS  22   2.746  12.931  -4.617
  167   1HE   LYS  22          HE2       LYS  22   5.020  11.012  -5.302
  168   2HE   LYS  22          HE3       LYS  22   5.294  12.554  -4.492
  169   1HZ   LYS  22          HZ1       LYS  22   4.145  11.813  -2.603
  170   2HZ   LYS  22          HZ2       LYS  22   3.475  10.523  -3.354
  171   3HZ   LYS  22          HZ3       LYS  22   5.082  10.537  -3.050
  172    H    SER  23           H        SER  23   0.118  12.145  -9.609
  173    HA   SER  23           HA       SER  23  -2.517  13.012  -8.988
  174   1HB   SER  23          HB2       SER  23  -2.578  14.041 -11.108
  175   2HB   SER  23          HB3       SER  23  -0.880  14.091 -10.615
  176    HG   SER  23           HG       SER  23  -0.643  12.110 -11.939
  177    H    ILE  24           H        ILE  24  -1.380  10.237 -10.878
  178    HA   ILE  24           HA       ILE  24  -3.957   9.484 -11.820
  179    HB   ILE  24           HB       ILE  24  -1.323   8.026 -11.619
  180   1HG1  ILE  24          HG12      ILE  24  -2.985   8.910 -14.029
  181   2HG1  ILE  24          HG13      ILE  24  -1.763   9.938 -13.294
  182   1HG2  ILE  24          HG21      ILE  24  -3.056   6.292 -11.408
  183   2HG2  ILE  24          HG22      ILE  24  -3.906   6.935 -12.827
  184   3HG2  ILE  24          HG23      ILE  24  -2.294   6.199 -12.986
  185   1HD1  ILE  24          HD11      ILE  24  -0.005   8.278 -13.753
  186   2HD1  ILE  24          HD12      ILE  24  -1.198   7.242 -14.579
  187   3HD1  ILE  24          HD13      ILE  24  -0.813   8.832 -15.229
  188    H    ALA  25           H        ALA  25  -2.068   8.577  -8.926
  189    HA   ALA  25           HA       ALA  25  -3.940   6.612  -8.092
  190   1HB   ALA  25          HB1       ALA  25  -1.999   8.270  -6.408
  191   2HB   ALA  25          HB2       ALA  25  -2.837   6.800  -5.867
  192   3HB   ALA  25          HB3       ALA  25  -1.639   6.706  -7.176
  193    H    GLU  26           H        GLU  26  -3.675  10.095  -7.436
  194    HA   GLU  26           HA       GLU  26  -5.851  10.174  -5.624
  195   1HB   GLU  26          HB2       GLU  26  -4.115  11.943  -5.872
  196   2HB   GLU  26          HB3       GLU  26  -4.771  12.367  -7.459
  197   1HG   GLU  26          HG2       GLU  26  -6.908  13.038  -6.414
  198   2HG   GLU  26          HG3       GLU  26  -6.318  12.516  -4.833
  199    H    ARG  27           H        ARG  27  -5.743  10.541  -9.182
  200    HA   ARG  27           HA       ARG  27  -8.541  11.201  -9.300
  201   1HB   ARG  27          HB2       ARG  27  -8.326  11.476 -11.537
  202   2HB   ARG  27          HB3       ARG  27  -6.699  11.819 -10.964
  203   1HG   ARG  27          HG2       ARG  27  -6.045   9.480 -11.736
  204   2HG   ARG  27          HG3       ARG  27  -7.674   9.309 -12.377
  205   1HD   ARG  27          HD2       ARG  27  -6.409   9.947 -14.214
  206   2HD   ARG  27          HD3       ARG  27  -7.216  11.442 -13.737
  207    HE   ARG  27           HE       ARG  27  -4.820  11.623 -12.417
  208   1HH1  ARG  27          HH11      ARG  27  -5.709  11.125 -15.856
  209   2HH1  ARG  27          HH12      ARG  27  -4.140  11.683 -16.419
  210   1HH2  ARG  27          HH21      ARG  27  -2.709  12.412 -13.385
  211   2HH2  ARG  27          HH22      ARG  27  -2.608  12.360 -15.131
  212    H    GLU  28           H        GLU  28  -6.717   8.230  -9.540
  213    HA   GLU  28           HA       GLU  28  -8.992   6.569 -10.293
  214   1HB   GLU  28          HB2       GLU  28  -6.167   5.967  -9.307
  215   2HB   GLU  28          HB3       GLU  28  -7.331   4.701  -9.604
  216   1HG   GLU  28          HG2       GLU  28  -6.355   6.684 -11.697
  217   2HG   GLU  28          HG3       GLU  28  -5.855   5.003 -11.531
  218    H    GLY  29           H        GLY  29  -7.687   7.720  -7.228
  219   1HA   GLY  29          HA2       GLY  29  -8.512   7.455  -5.092
  220   2HA   GLY  29          HA3       GLY  29  -9.808   6.399  -5.689
  221    H    LEU  30           H        LEU  30  -6.315   6.024  -6.348
  222    HA   LEU  30           HA       LEU  30  -6.362   3.262  -5.302
  223   1HB   LEU  30          HB2       LEU  30  -4.831   4.737  -7.309
  224   2HB   LEU  30          HB3       LEU  30  -3.723   4.006  -6.161
  225    HG   LEU  30           HG       LEU  30  -5.982   2.476  -7.520
  226   1HD1  LEU  30          HD11      LEU  30  -4.447   3.333  -9.239
  227   2HD1  LEU  30          HD12      LEU  30  -3.066   2.615  -8.375
  228   3HD1  LEU  30          HD13      LEU  30  -4.324   1.575  -9.089
  229   1HD2  LEU  30          HD21      LEU  30  -3.465   1.505  -6.086
  230   2HD2  LEU  30          HD22      LEU  30  -5.137   1.366  -5.485
  231   3HD2  LEU  30          HD23      LEU  30  -4.643   0.476  -6.920
  232    H    ASN  31           H        ASN  31  -4.347   2.664  -3.951
  233    HA   ASN  31           HA       ASN  31  -3.767   4.754  -1.901
  234   1HB   ASN  31          HB2       ASN  31  -5.549   3.376  -0.976
  235   2HB   ASN  31          HB3       ASN  31  -4.698   1.899  -1.442
  236   1HD2  ASN  31          HD22      ASN  31  -4.426   1.063   0.693
  237   2HD2  ASN  31          HD21      ASN  31  -3.415   1.845   1.878
  238    H    VAL  32           H        VAL  32  -1.659   5.097  -2.280
  239    HA   VAL  32           HA       VAL  32   0.269   2.883  -2.191
  240    HB   VAL  32           HB       VAL  32   1.450   3.755  -4.187
  241   1HG1  VAL  32          HG11      VAL  32  -1.377   2.990  -5.000
  242   2HG1  VAL  32          HG12      VAL  32   0.126   2.811  -5.925
  243   3HG1  VAL  32          HG13      VAL  32  -0.126   1.840  -4.466
  244   1HG2  VAL  32          HG21      VAL  32   0.474   6.090  -4.200
  245   2HG2  VAL  32          HG22      VAL  32   0.478   5.285  -5.760
  246   3HG2  VAL  32          HG23      VAL  32  -1.036   5.398  -4.837
  247    H    ASN  33           H        ASN  33   2.529   3.898  -2.134
  248    HA   ASN  33           HA       ASN  33   2.550   6.806  -1.764
  249   1HB   ASN  33          HB2       ASN  33   3.253   5.776   0.439
  250   2HB   ASN  33          HB3       ASN  33   4.528   4.900  -0.422
  251   1HD2  ASN  33          HD22      ASN  33   6.468   6.012  -0.868
  252   2HD2  ASN  33          HD21      ASN  33   6.679   7.739  -0.581
  253    H    VAL  34           H        VAL  34   4.232   7.704  -3.066
  254    HA   VAL  34           HA       VAL  34   5.972   5.852  -4.449
  255    HB   VAL  34           HB       VAL  34   5.686   6.696  -6.641
  256   1HG1  VAL  34          HG11      VAL  34   3.552   5.938  -7.290
  257   2HG1  VAL  34          HG12      VAL  34   3.920   4.995  -5.845
  258   3HG1  VAL  34          HG13      VAL  34   2.804   6.379  -5.738
  259   1HG2  VAL  34          HG21      VAL  34   3.598   8.617  -5.551
  260   2HG2  VAL  34          HG22      VAL  34   5.181   9.059  -6.225
  261   3HG2  VAL  34          HG23      VAL  34   3.955   8.364  -7.274
  262    H    ARG  35           H        ARG  35   7.951   6.705  -4.882
  263    HA   ARG  35           HA       ARG  35   8.578   9.525  -4.456
  264   1HB   ARG  35          HB2       ARG  35  10.452   8.774  -2.849
  265   2HB   ARG  35          HB3       ARG  35   8.818   9.001  -2.254
  266   1HG   ARG  35          HG2       ARG  35   8.506   6.471  -2.335
  267   2HG   ARG  35          HG3       ARG  35  10.248   6.354  -2.676
  268   1HD   ARG  35          HD2       ARG  35  10.764   7.506  -0.590
  269   2HD   ARG  35          HD3       ARG  35   9.058   7.901  -0.327
  270    HE   ARG  35           HE       ARG  35   9.083   5.133  -0.414
  271   1HH1  ARG  35          HH21      ARG  35  10.552   7.671   1.629
  272   2HH1  ARG  35          HH22      ARG  35  10.518   6.710   3.057
  273   1HH2  ARG  35          HH11      ARG  35   9.068   3.914   1.383
  274   2HH2  ARG  35          HH12      ARG  35   9.570   4.512   2.960
  275    H    SER  36           H        SER  36  11.036   9.711  -4.904
  276    HA   SER  36           HA       SER  36  11.931   7.642  -6.778
  277   1HB   SER  36          HB2       SER  36  12.339   9.275  -8.546
  278   2HB   SER  36          HB3       SER  36  10.614   9.143  -8.174
  279    HG   SER  36           HG       SER  36  10.743  11.049  -7.020
  280    H    ALA  37           H        ALA  37  14.096   7.934  -7.526
  281    HA   ALA  37           HA       ALA  37  15.954   9.540  -5.900
  282   1HB   ALA  37          HB1       ALA  37  15.871   6.487  -5.837
  283   2HB   ALA  37          HB2       ALA  37  17.102   7.531  -5.074
  284   3HB   ALA  37          HB3       ALA  37  15.445   7.554  -4.480
  285    H    GLY  38           H        GLY  38  18.251   8.498  -6.602
  286   1HA   GLY  38          HA2       GLY  38  18.212   7.455  -9.332
  287   2HA   GLY  38          HA3       GLY  38  19.085   8.973  -9.141
  288    H    VAL  39           H        VAL  39  20.157   6.207  -9.755
  289    HA   VAL  39           HA       VAL  39  21.425   5.211  -7.368
  290    HB   VAL  39           HB       VAL  39  23.003   4.062  -9.014
  291   1HG1  VAL  39          HG11      VAL  39  21.034   2.924  -8.094
  292   2HG1  VAL  39          HG12      VAL  39  20.009   3.623  -9.377
  293   3HG1  VAL  39          HG13      VAL  39  21.307   2.484  -9.795
  294   1HG2  VAL  39          HG21      VAL  39  22.632   5.690 -10.908
  295   2HG2  VAL  39          HG22      VAL  39  22.477   3.977 -11.331
  296   3HG2  VAL  39          HG23      VAL  39  21.018   4.951 -11.120
  297    H    PHE  40           H        PHE  40  22.263   7.878  -9.505
  298    HA   PHE  40           HA       PHE  40  24.601   8.471  -7.772
  299   1HB   PHE  40          HB2       PHE  40  24.490   8.520 -10.814
  300   2HB   PHE  40          HB3       PHE  40  25.755   9.291  -9.868
  301    HD1  PHE  40           HD1      PHE  40  27.148   7.889  -8.237
  302    HD2  PHE  40           HD2      PHE  40  24.720   6.157 -11.358
  303    HE1  PHE  40           HE1      PHE  40  28.475   5.796  -8.117
  304    HE2  PHE  40           HE2      PHE  40  26.069   4.082 -11.248
  305    HZ   PHE  40           HZ       PHE  40  27.938   3.888  -9.622
  306    H    ALA  41           H        ALA  41  21.794   9.371  -7.713
  307    HA   ALA  41           HA       ALA  41  21.824  12.205  -8.503
  308   1HB   ALA  41          HB1       ALA  41  19.705  12.255  -7.178
  309   2HB   ALA  41          HB2       ALA  41  19.685  11.002  -8.425
  310   3HB   ALA  41          HB3       ALA  41  19.965  10.559  -6.726
  311    H    SER  42           H        SER  42  21.312  13.737  -6.574
  312    HA   SER  42           HA       SER  42  22.926  13.132  -4.187
  313   1HB   SER  42          HB2       SER  42  23.138  15.694  -5.818
  314   2HB   SER  42          HB3       SER  42  23.995  15.339  -4.308
  315    HG   SER  42           HG       SER  42  25.283  14.965  -6.177
  316    HA   PRO  43           HA       PRO  43  19.417  14.788  -2.055
  317   1HB   PRO  43          HB2       PRO  43  21.440  16.153  -0.290
  318   2HB   PRO  43          HB3       PRO  43  19.946  15.265   0.168
  319   1HG   PRO  43          HG2       PRO  43  22.253  13.929   0.290
  320   2HG   PRO  43          HG3       PRO  43  20.881  13.177  -0.623
  321   1HD   PRO  43          HD2       PRO  43  23.174  14.824  -1.764
  322   2HD   PRO  43          HD3       PRO  43  22.645  13.175  -2.201
  323    H    ASN  44           H        ASN  44  21.048  16.854  -4.006
  324    HA   ASN  44           HA       ASN  44  19.335  19.177  -3.411
  325   1HB   ASN  44          HB2       ASN  44  21.094  20.728  -3.466
  326   2HB   ASN  44          HB3       ASN  44  21.630  19.499  -2.330
  327   1HD2  ASN  44          HD22      ASN  44  23.184  21.472  -4.091
  328   2HD2  ASN  44          HD21      ASN  44  24.301  20.472  -4.982
  329    H    GLY  45           H        GLY  45  19.689  16.922  -5.560
  330   1HA   GLY  45          HA2       GLY  45  19.882  18.534  -8.040
  331   2HA   GLY  45          HA3       GLY  45  19.381  16.836  -7.894
  332    H    LYS  46           H        LYS  46  17.744  18.804  -9.297
  333    HA   LYS  46           HA       LYS  46  15.298  18.316  -7.866
  334   1HB   LYS  46          HB2       LYS  46  14.511  20.633  -7.706
  335   2HB   LYS  46          HB3       LYS  46  15.910  20.362  -6.681
  336   1HG   LYS  46          HG2       LYS  46  17.368  21.473  -8.375
  337   2HG   LYS  46          HG3       LYS  46  15.951  21.728  -9.415
  338   1HD   LYS  46          HD2       LYS  46  14.890  23.088  -7.618
  339   2HD   LYS  46          HD3       LYS  46  16.337  22.858  -6.608
  340   1HE   LYS  46          HE2       LYS  46  17.726  23.935  -8.369
  341   2HE   LYS  46          HE3       LYS  46  16.283  24.163  -9.367
  342   1HZ   LYS  46          HZ1       LYS  46  16.839  26.166  -8.142
  343   2HZ   LYS  46          HZ2       LYS  46  15.394  25.613  -7.635
  344   3HZ   LYS  46          HZ3       LYS  46  16.727  25.402  -6.710
  345    H    ALA  47           H        ALA  47  13.424  19.003  -9.115
  346    HA   ALA  47           HA       ALA  47  13.439  17.973 -11.665
  347   1HB   ALA  47          HB1       ALA  47  11.234  19.022 -11.930
  348   2HB   ALA  47          HB2       ALA  47  11.457  18.370 -10.289
  349   3HB   ALA  47          HB3       ALA  47  11.579  20.124 -10.576
  350    H    THR  48           H        THR  48  13.618  18.749 -13.806
  351    HA   THR  48           HA       THR  48  15.409  20.955 -14.079
  352    HB   THR  48           HB       THR  48  15.522  20.353 -16.394
  353    HG1  THR  48           HG1      THR  48  14.060  18.895 -17.301
  354   1HG2  THR  48          HG21      THR  48  16.440  18.699 -14.686
  355   2HG2  THR  48          HG22      THR  48  14.971  17.727 -14.966
  356   3HG2  THR  48          HG23      THR  48  16.104  18.041 -16.299
  357    HA   PRO  49           HA       PRO  49  12.746  24.383 -15.055
  358   1HB   PRO  49          HB2       PRO  49  14.276  24.606 -17.654
  359   2HB   PRO  49          HB3       PRO  49  13.821  25.902 -16.502
  360   1HG   PRO  49          HG2       PRO  49  16.336  24.905 -16.489
  361   2HG   PRO  49          HG3       PRO  49  15.485  25.190 -14.935
  362   1HD   PRO  49          HD2       PRO  49  15.849  22.589 -16.432
  363   2HD   PRO  49          HD3       PRO  49  16.013  22.925 -14.680
  364    H    HIS  50           H        HIS  50  12.909  21.660 -17.289
  365    HA   HIS  50           HA       HIS  50  10.435  22.616 -18.612
  366   1HB   HIS  50          HB2       HIS  50  12.606  20.785 -19.630
  367   2HB   HIS  50          HB3       HIS  50  11.073  21.075 -20.460
  368    HD1  HIS  50           HD1      HIS  50  13.964  21.798 -21.742
  369    HD2  HIS  50           HD2      HIS  50  11.223  24.399 -19.860
  370    HE1  HIS  50           HE1      HIS  50  14.477  24.135 -22.598
  371    H    ALA  51           H        ALA  51  11.870  19.798 -16.920
  372    HA   ALA  51           HA       ALA  51   9.565  18.150 -17.204
  373   1HB   ALA  51          HB1       ALA  51  11.690  17.283 -16.262
  374   2HB   ALA  51          HB2       ALA  51  11.564  18.401 -14.895
  375   3HB   ALA  51          HB3       ALA  51  10.386  17.091 -15.079
  376    H    VAL  52           H        VAL  52  10.511  20.558 -14.760
  377    HA   VAL  52           HA       VAL  52   8.196  20.253 -13.200
  378    HB   VAL  52           HB       VAL  52  10.579  21.304 -12.804
  379   1HG1  VAL  52          HG11      VAL  52  10.737  23.672 -12.679
  380   2HG1  VAL  52          HG12      VAL  52  10.366  23.209 -14.343
  381   3HG1  VAL  52          HG13      VAL  52   9.076  23.871 -13.291
  382   1HG2  VAL  52          HG21      VAL  52   8.126  22.360 -11.413
  383   2HG2  VAL  52          HG22      VAL  52   9.060  20.888 -11.029
  384   3HG2  VAL  52          HG23      VAL  52   9.794  22.476 -10.798
  385    H    GLU  53           H        GLU  53   8.945  22.361 -15.923
  386    HA   GLU  53           HA       GLU  53   6.546  23.872 -15.702
  387   1HB   GLU  53          HB2       GLU  53   8.537  24.714 -16.840
  388   2HB   GLU  53          HB3       GLU  53   8.393  23.463 -18.090
  389   1HG   GLU  53          HG2       GLU  53   6.316  24.438 -18.900
  390   2HG   GLU  53          HG3       GLU  53   6.246  25.547 -17.527
  391    H    ALA  54           H        ALA  54   7.431  20.926 -17.500
  392    HA   ALA  54           HA       ALA  54   5.059  20.730 -19.018
  393   1HB   ALA  54          HB1       ALA  54   5.722  18.340 -19.300
  394   2HB   ALA  54          HB2       ALA  54   7.095  19.426 -19.535
  395   3HB   ALA  54          HB3       ALA  54   6.925  18.523 -18.015
  396    H    LEU  55           H        LEU  55   5.875  19.495 -15.772
  397    HA   LEU  55           HA       LEU  55   3.196  18.301 -15.509
  398   1HB   LEU  55          HB2       LEU  55   5.580  18.611 -13.702
  399   2HB   LEU  55          HB3       LEU  55   4.015  18.138 -13.027
  400    HG   LEU  55           HG       LEU  55   5.553  16.243 -13.427
  401   1HD1  LEU  55          HD11      LEU  55   3.016  16.067 -15.094
  402   2HD1  LEU  55          HD12      LEU  55   3.932  14.725 -14.376
  403   3HD1  LEU  55          HD13      LEU  55   3.133  15.889 -13.319
  404   1HD2  LEU  55          HD21      LEU  55   5.915  15.316 -15.654
  405   2HD2  LEU  55          HD22      LEU  55   5.102  16.697 -16.406
  406   3HD2  LEU  55          HD23      LEU  55   6.636  16.924 -15.535
  407    H    PHE  56           H        PHE  56   4.642  21.440 -14.716
  408    HA   PHE  56           HA       PHE  56   2.409  22.255 -13.082
  409   1HB   PHE  56          HB2       PHE  56   4.566  23.463 -13.067
  410   2HB   PHE  56          HB3       PHE  56   4.299  23.964 -14.740
  411    HD1  PHE  56           HD1      PHE  56   3.326  26.112 -15.068
  412    HD2  PHE  56           HD2      PHE  56   2.489  23.953 -11.425
  413    HE1  PHE  56           HE1      PHE  56   1.916  27.989 -14.265
  414    HE2  PHE  56           HE2      PHE  56   1.044  25.793 -10.656
  415    HZ   PHE  56           HZ       PHE  56   0.765  27.839 -12.063
  416    H    GLU  57           H        GLU  57   3.068  22.389 -16.628
  417    HA   GLU  57           HA       GLU  57   0.579  23.643 -17.267
  418   1HB   GLU  57          HB2       GLU  57   2.552  23.543 -18.752
  419   2HB   GLU  57          HB3       GLU  57   2.327  21.802 -18.935
  420   1HG   GLU  57          HG2       GLU  57   0.102  22.206 -19.974
  421   2HG   GLU  57          HG3       GLU  57   0.299  23.947 -19.725
  422    H    LYS  58           H        LYS  58   1.503  20.144 -16.916
  423    HA   LYS  58           HA       LYS  58  -1.173  19.202 -17.413
  424   1HB   LYS  58          HB2       LYS  58   0.936  17.828 -17.458
  425   2HB   LYS  58          HB3       LYS  58   0.935  17.842 -15.688
  426   1HG   LYS  58          HG2       LYS  58  -1.115  16.607 -15.578
  427   2HG   LYS  58          HG3       LYS  58  -1.482  16.877 -17.277
  428   1HD   LYS  58          HD2       LYS  58   0.873  15.222 -16.285
  429   2HD   LYS  58          HD3       LYS  58  -0.714  14.546 -16.643
  430   1HE   LYS  58          HE2       LYS  58   0.963  16.086 -18.664
  431   2HE   LYS  58          HE3       LYS  58   1.016  14.327 -18.483
  432   1HZ   LYS  58          HZ1       LYS  58  -1.272  14.176 -19.117
  433   2HZ   LYS  58          HZ2       LYS  58  -1.466  15.811 -19.153
  434   3HZ   LYS  58          HZ3       LYS  58  -0.518  15.063 -20.252
  435    H    HIS  59           H        HIS  59   0.009  21.064 -14.851
  436    HA   HIS  59           HA       HIS  59  -0.877  21.925 -13.033
  437   1HB   HIS  59          HB2       HIS  59  -2.906  22.147 -14.500
  438   2HB   HIS  59          HB3       HIS  59  -3.568  20.718 -13.702
  439    HD1  HIS  59           HD1      HIS  59  -5.045  21.367 -11.629
  440    HD2  HIS  59           HD2      HIS  59  -2.027  24.152 -12.562
  441    HE1  HIS  59           HE1      HIS  59  -5.325  23.296  -9.993
  442    H    ILE  60           H        ILE  60   0.673  19.921 -12.679
  443    HA   ILE  60           HA       ILE  60  -0.440  18.440 -10.340
  444    HB   ILE  60           HB       ILE  60   1.705  17.588 -12.306
  445   1HG1  ILE  60          HG12      ILE  60  -1.040  16.387 -11.692
  446   2HG1  ILE  60          HG13      ILE  60  -0.678  17.369 -13.107
  447   1HG2  ILE  60          HG21      ILE  60   0.654  16.124  -9.836
  448   2HG2  ILE  60          HG22      ILE  60   1.817  15.478 -11.008
  449   3HG2  ILE  60          HG23      ILE  60   2.272  16.834 -10.004
  450   1HD1  ILE  60          HD11      ILE  60  -0.706  15.023 -13.701
  451   2HD1  ILE  60          HD12      ILE  60   0.905  15.715 -13.936
  452   3HD1  ILE  60          HD13      ILE  60   0.577  14.658 -12.544
  453    H    ALA  61           H        ALA  61   1.911  20.723 -11.522
  454    HA   ALA  61           HA       ALA  61   3.533  21.944 -10.553
  455   1HB   ALA  61          HB1       ALA  61   1.571  22.829  -9.371
  456   2HB   ALA  61          HB2       ALA  61   1.818  21.652  -8.064
  457   3HB   ALA  61          HB3       ALA  61   3.038  22.903  -8.374
  458    H    LEU  62           H        LEU  62   4.879  20.065 -11.025
  459    HA   LEU  62           HA       LEU  62   5.883  18.247  -9.045
  460   1HB   LEU  62          HB2       LEU  62   6.030  18.267 -11.630
  461   2HB   LEU  62          HB3       LEU  62   7.316  19.444 -11.462
  462    HG   LEU  62           HG       LEU  62   7.265  16.495 -10.701
  463   1HD1  LEU  62          HD11      LEU  62   9.121  18.091 -12.516
  464   2HD1  LEU  62          HD12      LEU  62   9.122  16.331 -12.273
  465   3HD1  LEU  62          HD13      LEU  62   7.752  17.111 -13.068
  466   1HD2  LEU  62          HD21      LEU  62   8.426  17.302  -8.879
  467   2HD2  LEU  62          HD22      LEU  62   9.700  16.903 -10.025
  468   3HD2  LEU  62          HD23      LEU  62   9.239  18.600  -9.832
  469    H    ASN  63           H        ASN  63   7.524  18.685  -7.459
  470    HA   ASN  63           HA       ASN  63   9.266  20.978  -7.853
  471   1HB   ASN  63          HB2       ASN  63   6.943  21.515  -6.409
  472   2HB   ASN  63          HB3       ASN  63   8.083  21.171  -5.121
  473   1HD2  ASN  63          HD22      ASN  63   7.903  22.870  -8.288
  474   2HD2  ASN  63          HD21      ASN  63   8.801  24.299  -7.798
  475    H    HIS  64           H        HIS  64   9.712  18.204  -7.833
  476    HA   HIS  64           HA       HIS  64  10.528  17.131  -5.341
  477   1HB   HIS  64          HB2       HIS  64   9.917  15.877  -7.451
  478   2HB   HIS  64          HB3       HIS  64  11.465  16.383  -8.146
  479    HD1  HIS  64           HD1      HIS  64   9.961  13.758  -5.831
  480    HD2  HIS  64           HD2      HIS  64  13.706  15.210  -7.111
  481    HE1  HIS  64           HE1      HIS  64  11.691  12.129  -4.985
  482    H    VAL  65           H        VAL  65  12.540  16.886  -4.413
  483    HA   VAL  65           HA       VAL  65  14.944  18.129  -5.638
  484    HB   VAL  65           HB       VAL  65  14.160  18.214  -2.694
  485   1HG1  VAL  65          HG11      VAL  65  16.624  19.368  -4.078
  486   2HG1  VAL  65          HG12      VAL  65  16.225  19.480  -2.353
  487   3HG1  VAL  65          HG13      VAL  65  16.618  17.910  -3.063
  488   1HG2  VAL  65          HG21      VAL  65  14.208  20.687  -2.985
  489   2HG2  VAL  65          HG22      VAL  65  14.438  20.469  -4.732
  490   3HG2  VAL  65          HG23      VAL  65  12.933  19.937  -3.950
  491    H    SER  66           H        SER  66  16.252  16.525  -6.079
  492    HA   SER  66           HA       SER  66  15.630  13.817  -5.690
  493   1HB   SER  66          HB2       SER  66  18.286  15.045  -6.487
  494   2HB   SER  66          HB3       SER  66  17.636  13.473  -6.976
  495    HG   SER  66           HG       SER  66  16.042  14.546  -8.174
  496    H    SER  67           H        SER  67  17.101  12.147  -4.894
  497    HA   SER  67           HA       SER  67  19.085  12.697  -2.820
  498   1HB   SER  67          HB2       SER  67  16.578  11.000  -2.333
  499   2HB   SER  67          HB3       SER  67  17.989  11.066  -1.270
  500    HG   SER  67           HG       SER  67  16.280  12.426  -0.571
  501    HA   PRO  68           HA       PRO  68  20.519   9.015  -4.999
  502   1HB   PRO  68          HB2       PRO  68  22.142   7.778  -3.175
  503   2HB   PRO  68          HB3       PRO  68  22.581   9.310  -3.985
  504   1HG   PRO  68          HG2       PRO  68  21.339   8.945  -1.242
  505   2HG   PRO  68          HG3       PRO  68  22.746   9.962  -1.692
  506   1HD   PRO  68          HD2       PRO  68  20.240  10.998  -1.444
  507   2HD   PRO  68          HD3       PRO  68  21.360  11.579  -2.713
  508    H    LEU  69           H        LEU  69  20.093   6.739  -5.132
  509    HA   LEU  69           HA       LEU  69  18.020   5.677  -3.295
  510   1HB   LEU  69          HB2       LEU  69  17.784   5.236  -5.716
  511   2HB   LEU  69          HB3       LEU  69  19.373   4.487  -5.763
  512    HG   LEU  69           HG       LEU  69  18.653   2.622  -4.461
  513   1HD1  LEU  69          HD11      LEU  69  16.258   2.364  -3.684
  514   2HD1  LEU  69          HD12      LEU  69  17.169   3.554  -2.770
  515   3HD1  LEU  69          HD13      LEU  69  16.023   4.092  -4.018
  516   1HD2  LEU  69          HD21      LEU  69  16.950   1.636  -5.881
  517   2HD2  LEU  69          HD22      LEU  69  16.438   3.243  -6.441
  518   3HD2  LEU  69          HD23      LEU  69  18.055   2.619  -6.851
  519    H    THR  70           H        THR  70  18.658   4.824  -1.423
  520    HA   THR  70           HA       THR  70  21.169   3.304  -1.255
  521    HB   THR  70           HB       THR  70  21.246   4.329   1.136
  522    HG1  THR  70           HG1      THR  70  20.347   6.357   1.310
  523   1HG2  THR  70          HG21      THR  70  22.912   4.718  -0.652
  524   2HG2  THR  70          HG22      THR  70  21.923   6.046  -1.297
  525   3HG2  THR  70          HG23      THR  70  22.650   6.176   0.322
  526    H    GLU  71           H        GLU  71  21.134   1.926   0.800
  527    HA   GLU  71           HA       GLU  71  19.212   0.128  -0.071
  528   1HB   GLU  71          HB2       GLU  71  21.544  -0.310   0.840
  529   2HB   GLU  71          HB3       GLU  71  20.888  -0.110   2.469
  530   1HG   GLU  71          HG2       GLU  71  19.311  -2.010   2.020
  531   2HG   GLU  71          HG3       GLU  71  20.023  -2.199   0.413
  532    H    GLU  72           H        GLU  72  19.207   2.171   2.812
  533    HA   GLU  72           HA       GLU  72  17.096   0.853   4.179
  534   1HB   GLU  72          HB2       GLU  72  16.916   2.932   5.491
  535   2HB   GLU  72          HB3       GLU  72  18.571   2.340   5.355
  536   1HG   GLU  72          HG2       GLU  72  19.013   4.044   3.569
  537   2HG   GLU  72          HG3       GLU  72  17.375   4.665   3.784
  538    H    LEU  73           H        LEU  73  17.079   3.397   1.682
  539    HA   LEU  73           HA       LEU  73  14.233   3.801   1.827
  540   1HB   LEU  73          HB2       LEU  73  15.644   5.536   0.850
  541   2HB   LEU  73          HB3       LEU  73  16.275   4.396  -0.345
  542    HG   LEU  73           HG       LEU  73  14.055   4.188  -1.358
  543   1HD1  LEU  73          HD11      LEU  73  13.139   6.374   0.535
  544   2HD1  LEU  73          HD12      LEU  73  12.241   5.733  -0.865
  545   3HD1  LEU  73          HD13      LEU  73  12.564   4.688   0.515
  546   1HD2  LEU  73          HD21      LEU  73  15.654   5.845  -2.229
  547   2HD2  LEU  73          HD22      LEU  73  13.975   6.357  -2.457
  548   3HD2  LEU  73          HD23      LEU  73  14.958   7.078  -1.158
  549    H    MET  74           H        MET  74  16.445   1.801  -0.098
  550    HA   MET  74           HA       MET  74  14.540   0.703  -1.846
  551   1HB   MET  74          HB2       MET  74  16.385  -0.081  -2.756
  552   2HB   MET  74          HB3       MET  74  17.315   0.441  -1.377
  553   1HG   MET  74          HG2       MET  74  17.886  -1.799  -1.734
  554   2HG   MET  74          HG3       MET  74  16.910  -1.771  -0.287
  555   1HE   MET  74          HE1       MET  74  15.626  -3.534  -4.399
  556   2HE   MET  74          HE2       MET  74  15.901  -1.792  -4.191
  557   3HE   MET  74          HE3       MET  74  17.248  -2.942  -4.008
  558    H    GLU  75           H        GLU  75  15.546  -0.397   1.392
  559    HA   GLU  75           HA       GLU  75  13.673  -2.626   1.263
  560   1HB   GLU  75          HB2       GLU  75  15.698  -1.674   3.274
  561   2HB   GLU  75          HB3       GLU  75  14.459  -2.825   3.772
  562   1HG   GLU  75          HG2       GLU  75  16.237  -3.303   1.345
  563   2HG   GLU  75          HG3       GLU  75  16.648  -3.836   2.970
  564    H    SER  76           H        SER  76  13.475   0.679   2.432
  565    HA   SER  76           HA       SER  76  11.083   0.253   3.996
  566   1HB   SER  76          HB2       SER  76  11.995   2.711   2.441
  567   2HB   SER  76          HB3       SER  76  10.712   2.652   3.661
  568    HG   SER  76           HG       SER  76  13.484   2.132   4.022
  569    H    ALA  77           H        ALA  77  11.725   0.790   0.491
  570    HA   ALA  77           HA       ALA  77   8.885   0.886  -0.122
  571   1HB   ALA  77          HB1       ALA  77   9.624   1.190  -2.421
  572   2HB   ALA  77          HB2       ALA  77  10.563   2.228  -1.341
  573   3HB   ALA  77          HB3       ALA  77  11.283   0.720  -1.976
  574    H    ASP  78           H        ASP  78   7.934  -0.488  -1.839
  575    HA   ASP  78           HA       ASP  78   8.554  -3.357  -1.366
  576   1HB   ASP  78          HB2       ASP  78   6.313  -2.671  -0.635
  577   2HB   ASP  78          HB3       ASP  78   5.978  -2.006  -2.239
  578    H    LEU  79           H        LEU  79   8.215  -0.834  -3.828
  579    HA   LEU  79           HA       LEU  79   8.967  -2.805  -5.917
  580   1HB   LEU  79          HB2       LEU  79   6.484  -2.095  -5.910
  581   2HB   LEU  79          HB3       LEU  79   7.042  -0.463  -6.215
  582    HG   LEU  79           HG       LEU  79   8.144  -1.285  -8.345
  583   1HD1  LEU  79          HD11      LEU  79   7.374  -3.470  -9.245
  584   2HD1  LEU  79          HD12      LEU  79   8.359  -3.692  -7.798
  585   3HD1  LEU  79          HD13      LEU  79   6.587  -3.833  -7.697
  586   1HD2  LEU  79          HD21      LEU  79   6.102  -1.424  -9.645
  587   2HD2  LEU  79          HD22      LEU  79   5.155  -1.856  -8.215
  588   3HD2  LEU  79          HD23      LEU  79   5.868  -0.239  -8.355
  589    H    VAL  80           H        VAL  80  10.510  -2.094  -7.321
  590    HA   VAL  80           HA       VAL  80  11.219   0.780  -7.254
  591    HB   VAL  80           HB       VAL  80  13.172  -1.536  -7.381
  592   1HG1  VAL  80          HG11      VAL  80  13.946   0.426  -8.687
  593   2HG1  VAL  80          HG12      VAL  80  13.637   1.486  -7.297
  594   3HG1  VAL  80          HG13      VAL  80  14.908   0.250  -7.215
  595   1HG2  VAL  80          HG21      VAL  80  12.383  -1.331  -5.098
  596   2HG2  VAL  80          HG22      VAL  80  14.006  -0.640  -5.188
  597   3HG2  VAL  80          HG23      VAL  80  12.578   0.422  -5.153
  598    H    LEU  81           H        LEU  81  11.390   1.665  -9.246
  599    HA   LEU  81           HA       LEU  81  10.906  -0.089 -11.565
  600   1HB   LEU  81          HB2       LEU  81   8.987   1.514 -10.237
  601   2HB   LEU  81          HB3       LEU  81   9.384   2.387 -11.710
  602    HG   LEU  81           HG       LEU  81   8.660  -0.609 -11.687
  603   1HD1  LEU  81          HD11      LEU  81   6.434   0.039 -12.368
  604   2HD1  LEU  81          HD12      LEU  81   6.786   0.799 -10.813
  605   3HD1  LEU  81          HD13      LEU  81   6.855   1.768 -12.302
  606   1HD2  LEU  81          HD21      LEU  81   8.208  -0.171 -14.082
  607   2HD2  LEU  81          HD22      LEU  81   8.863   1.470 -13.865
  608   3HD2  LEU  81          HD23      LEU  81   9.908   0.051 -13.651
  609    H    ALA  82           H        ALA  82  12.668   0.126 -12.695
  610    HA   ALA  82           HA       ALA  82  14.295   2.568 -12.448
  611   1HB   ALA  82          HB1       ALA  82  15.025  -0.270 -13.321
  612   2HB   ALA  82          HB2       ALA  82  16.151   1.078 -13.074
  613   3HB   ALA  82          HB3       ALA  82  15.283   0.406 -11.693
  614    H    MET  83           H        MET  83  14.757   3.781 -14.210
  615    HA   MET  83           HA       MET  83  13.191   3.383 -16.551
  616   1HB   MET  83          HB2       MET  83  15.305   5.409 -15.783
  617   2HB   MET  83          HB3       MET  83  14.602   5.368 -17.406
  618   1HG   MET  83          HG2       MET  83  13.285   6.895 -16.170
  619   2HG   MET  83          HG3       MET  83  12.334   5.439 -16.442
  620   1HE   MET  83          HE1       MET  83  10.430   5.500 -14.631
  621   2HE   MET  83          HE2       MET  83  10.656   6.501 -13.205
  622   3HE   MET  83          HE3       MET  83  10.930   7.208 -14.806
  623    H    THR  84           H        THR  84  16.360   1.972 -15.905
  624    HA   THR  84           HA       THR  84  16.170   0.892 -18.610
  625    HB   THR  84           HB       THR  84  18.457   1.204 -19.215
  626    HG1  THR  84           HG1      THR  84  18.915   2.886 -17.025
  627   1HG2  THR  84          HG21      THR  84  17.035   3.083 -19.912
  628   2HG2  THR  84          HG22      THR  84  17.442   3.956 -18.416
  629   3HG2  THR  84          HG23      THR  84  18.705   3.582 -19.604
  630    H    HIS  85           H        HIS  85  17.396  -1.057 -18.900
  631    HA   HIS  85           HA       HIS  85  17.473  -2.793 -16.673
  632   1HB   HIS  85          HB2       HIS  85  19.120  -3.180 -19.189
  633   2HB   HIS  85          HB3       HIS  85  18.353  -4.404 -18.181
  634    HD1  HIS  85           HD1      HIS  85  17.762  -2.397 -21.278
  635    HD2  HIS  85           HD2      HIS  85  15.475  -4.342 -18.327
  636    HE1  HIS  85           HE1      HIS  85  15.402  -2.546 -22.190
  637    H    GLN  86           H        GLN  86  19.905  -0.674 -18.168
  638    HA   GLN  86           HA       GLN  86  22.139  -1.673 -16.737
  639   1HB   GLN  86          HB2       GLN  86  22.385  -0.262 -18.735
  640   2HB   GLN  86          HB3       GLN  86  21.612   1.091 -17.908
  641   1HG   GLN  86          HG2       GLN  86  24.017   1.416 -17.989
  642   2HG   GLN  86          HG3       GLN  86  23.501   1.240 -16.323
  643   1HE2  GLN  86          HE22      GLN  86  23.991  -0.842 -15.200
  644   2HE2  GLN  86          HE21      GLN  86  25.329  -1.817 -15.778
  645    H    HIS  87           H        HIS  87  19.736   0.873 -15.951
  646    HA   HIS  87           HA       HIS  87  20.920   1.580 -13.451
  647   1HB   HIS  87          HB2       HIS  87  17.976   1.598 -14.146
  648   2HB   HIS  87          HB3       HIS  87  18.729   2.442 -12.802
  649    HD1  HIS  87           HD1      HIS  87  21.080   3.354 -15.342
  650    HD2  HIS  87           HD2      HIS  87  17.001   4.086 -14.675
  651    HE1  HIS  87           HE1      HIS  87  20.501   5.442 -16.677
  652    H    LYS  88           H        LYS  88  18.493  -0.912 -14.325
  653    HA   LYS  88           HA       LYS  88  18.073  -1.849 -11.693
  654   1HB   LYS  88          HB2       LYS  88  16.629  -2.489 -13.544
  655   2HB   LYS  88          HB3       LYS  88  17.935  -3.422 -14.290
  656   1HG   LYS  88          HG2       LYS  88  17.943  -5.028 -12.478
  657   2HG   LYS  88          HG3       LYS  88  16.888  -4.023 -11.491
  658   1HD   LYS  88          HD2       LYS  88  15.637  -5.886 -12.417
  659   2HD   LYS  88          HD3       LYS  88  15.027  -4.377 -13.110
  660   1HE   LYS  88          HE2       LYS  88  16.240  -4.769 -15.195
  661   2HE   LYS  88          HE3       LYS  88  17.064  -6.174 -14.499
  662   1HZ   LYS  88          HZ1       LYS  88  14.158  -5.969 -15.114
  663   2HZ   LYS  88          HZ2       LYS  88  15.240  -6.882 -15.879
  664   3HZ   LYS  88          HZ3       LYS  88  14.845  -7.244 -14.337
  665    H    GLN  89           H        GLN  89  20.596  -2.768 -14.029
  666    HA   GLN  89           HA       GLN  89  21.783  -4.695 -12.277
  667   1HB   GLN  89          HB2       GLN  89  22.810  -3.272 -14.758
  668   2HB   GLN  89          HB3       GLN  89  23.769  -4.465 -13.878
  669   1HG   GLN  89          HG2       GLN  89  21.021  -5.018 -15.092
  670   2HG   GLN  89          HG3       GLN  89  22.562  -5.438 -15.828
  671   1HE2  GLN  89          HE22      GLN  89  23.931  -7.088 -14.737
  672   2HE2  GLN  89          HE21      GLN  89  23.191  -8.232 -13.647
  673    H    ILE  90           H        ILE  90  22.331  -1.186 -12.643
  674    HA   ILE  90           HA       ILE  90  24.631  -1.169 -10.936
  675    HB   ILE  90           HB       ILE  90  22.602   1.014 -11.542
  676   1HG1  ILE  90          HG12      ILE  90  25.518   0.864 -12.431
  677   2HG1  ILE  90          HG13      ILE  90  24.249   0.109 -13.370
  678   1HG2  ILE  90          HG21      ILE  90  25.243   1.215 -10.011
  679   2HG2  ILE  90          HG22      ILE  90  24.283   2.601 -10.551
  680   3HG2  ILE  90          HG23      ILE  90  23.624   1.507  -9.348
  681   1HD1  ILE  90          HD11      ILE  90  24.698   2.299 -14.290
  682   2HD1  ILE  90          HD12      ILE  90  23.073   2.302 -13.577
  683   3HD1  ILE  90          HD13      ILE  90  24.421   3.080 -12.726
  684    H    ILE  91           H        ILE  91  21.136  -0.842 -10.301
  685    HA   ILE  91           HA       ILE  91  21.286  -0.489  -7.508
  686    HB   ILE  91           HB       ILE  91  19.122  -1.738  -9.245
  687   1HG1  ILE  91          HG12      ILE  91  19.231   1.008  -7.928
  688   2HG1  ILE  91          HG13      ILE  91  19.844   0.733  -9.540
  689   1HG2  ILE  91          HG21      ILE  91  17.578  -1.299  -7.332
  690   2HG2  ILE  91          HG22      ILE  91  18.794  -2.505  -6.912
  691   3HG2  ILE  91          HG23      ILE  91  18.965  -0.826  -6.344
  692   1HD1  ILE  91          HD11      ILE  91  17.614  -0.100 -10.271
  693   2HD1  ILE  91          HD12      ILE  91  16.962   0.383  -8.685
  694   3HD1  ILE  91          HD13      ILE  91  17.661   1.598  -9.775
  695    H    ALA  92           H        ALA  92  21.125  -3.475  -9.441
  696    HA   ALA  92           HA       ALA  92  21.212  -5.300  -7.294
  697   1HB   ALA  92          HB1       ALA  92  22.429  -5.677 -10.075
  698   2HB   ALA  92          HB2       ALA  92  21.907  -6.952  -8.972
  699   3HB   ALA  92          HB3       ALA  92  20.709  -5.866  -9.713
  700    H    SER  93           H        SER  93  23.842  -3.692  -9.054
  701    HA   SER  93           HA       SER  93  25.948  -5.202  -7.835
  702   1HB   SER  93          HB2       SER  93  26.045  -2.473  -9.192
  703   2HB   SER  93          HB3       SER  93  27.425  -3.535  -8.866
  704    HG   SER  93           HG       SER  93  25.213  -4.003 -10.597
  705    H    GLN  94           H        GLN  94  24.329  -2.146  -6.931
  706    HA   GLN  94           HA       GLN  94  26.376  -1.617  -4.907
  707   1HB   GLN  94          HB2       GLN  94  25.113   0.331  -4.281
  708   2HB   GLN  94          HB3       GLN  94  25.450   0.289  -6.009
  709   1HG   GLN  94          HG2       GLN  94  23.149  -0.235  -6.511
  710   2HG   GLN  94          HG3       GLN  94  22.766  -0.501  -4.815
  711   1HE2  GLN  94          HE22      GLN  94  21.398   1.109  -4.220
  712   2HE2  GLN  94          HE21      GLN  94  21.688   2.818  -4.426
  713    H    PHE  95           H        PHE  95  23.089  -3.017  -4.952
  714    HA   PHE  95           HA       PHE  95  23.144  -3.144  -1.990
  715   1HB   PHE  95          HB2       PHE  95  21.016  -3.759  -4.043
  716   2HB   PHE  95          HB3       PHE  95  20.790  -3.864  -2.298
  717    HD1  PHE  95           HD1      PHE  95  19.253  -2.212  -4.391
  718    HD2  PHE  95           HD2      PHE  95  22.405  -1.169  -1.626
  719    HE1  PHE  95           HE1      PHE  95  18.337   0.084  -4.182
  720    HE2  PHE  95           HE2      PHE  95  21.550   1.088  -1.494
  721    HZ   PHE  95           HZ       PHE  95  19.441   1.721  -2.668
  722    H    GLY  96           H        GLY  96  23.883  -5.356  -4.585
  723   1HA   GLY  96          HA2       GLY  96  24.815  -7.468  -4.230
  724   2HA   GLY  96          HA3       GLY  96  24.217  -7.492  -2.566
  725    H    ARG  97           H        ARG  97  22.911  -7.271  -5.894
  726    HA   ARG  97           HA       ARG  97  21.232  -8.264  -6.986
  727   1HB   ARG  97          HB2       ARG  97  22.823 -10.212  -6.350
  728   2HB   ARG  97          HB3       ARG  97  21.577 -10.690  -5.208
  729   1HG   ARG  97          HG2       ARG  97  21.267 -12.018  -7.135
  730   2HG   ARG  97          HG3       ARG  97  19.960 -10.841  -7.191
  731   1HD   ARG  97          HD2       ARG  97  21.353  -9.486  -8.824
  732   2HD   ARG  97          HD3       ARG  97  22.549 -10.795  -8.789
  733    HE   ARG  97           HE       ARG  97  19.870 -11.730  -9.385
  734   1HH1  ARG  97          HH21      ARG  97  22.768 -10.318 -10.874
  735   2HH1  ARG  97          HH22      ARG  97  22.423 -10.928 -12.450
  736   1HH2  ARG  97          HH11      ARG  97  19.397 -12.517 -11.488
  737   2HH2  ARG  97          HH12      ARG  97  20.451 -12.184 -12.807
  738    H    TYR  98           H        TYR  98  20.415  -6.633  -4.659
  739    HA   TYR  98           HA       TYR  98  17.903  -7.811  -3.737
  740   1HB   TYR  98          HB2       TYR  98  19.012  -4.988  -3.661
  741   2HB   TYR  98          HB3       TYR  98  17.415  -5.406  -3.091
  742    HD1  TYR  98           HD1      TYR  98  18.230  -4.214  -1.050
  743    HD2  TYR  98           HD2      TYR  98  19.761  -8.077  -2.237
  744    HE1  TYR  98           HE1      TYR  98  18.978  -4.625   1.262
  745    HE2  TYR  98           HE2      TYR  98  20.530  -8.479   0.056
  746    HH   TYR  98           HH       TYR  98  20.061  -6.102   2.713
  747    H    ARG  99           H        ARG  99  18.724  -7.142  -6.836
  748    HA   ARG  99           HA       ARG  99  16.628  -5.492  -7.745
  749   1HB   ARG  99          HB2       ARG  99  17.091  -6.370 -10.000
  750   2HB   ARG  99          HB3       ARG  99  18.503  -5.767  -9.161
  751   1HG   ARG  99          HG2       ARG  99  19.401  -7.936  -8.828
  752   2HG   ARG  99          HG3       ARG  99  17.868  -8.750  -9.139
  753   1HD   ARG  99          HD2       ARG  99  19.236  -7.102 -11.303
  754   2HD   ARG  99          HD3       ARG  99  19.694  -8.782 -10.989
  755    HE   ARG  99           HE       ARG  99  16.909  -8.782 -11.193
  756   1HH1  ARG  99          HH21      ARG  99  19.605  -7.970 -13.391
  757   2HH1  ARG  99          HH22      ARG  99  18.852  -8.696 -14.766
  758   1HH2  ARG  99          HH11      ARG  99  15.935  -9.733 -13.034
  759   2HH2  ARG  99          HH12      ARG  99  16.719  -9.687 -14.563
  760    H    ASP 100           H        ASP 100  16.118  -8.448  -6.298
  761    HA   ASP 100           HA       ASP 100  14.134  -9.706  -7.819
  762   1HB   ASP 100          HB2       ASP 100  15.055 -10.624  -5.754
  763   2HB   ASP 100          HB3       ASP 100  14.332  -9.314  -4.814
  764    H    LYS 101           H        LYS 101  13.856  -6.686  -5.893
  765    HA   LYS 101           HA       LYS 101  10.975  -6.560  -6.580
  766   1HB   LYS 101          HB2       LYS 101  10.717  -4.908  -4.926
  767   2HB   LYS 101          HB3       LYS 101  11.631  -6.232  -4.209
  768   1HG   LYS 101          HG2       LYS 101  13.718  -4.926  -4.392
  769   2HG   LYS 101          HG3       LYS 101  12.885  -3.657  -5.289
  770   1HD   LYS 101          HD2       LYS 101  13.078  -2.821  -3.114
  771   2HD   LYS 101          HD3       LYS 101  11.386  -3.297  -3.266
  772   1HE   LYS 101          HE2       LYS 101  11.843  -5.393  -2.020
  773   2HE   LYS 101          HE3       LYS 101  13.575  -5.018  -2.017
  774   1HZ   LYS 101          HZ1       LYS 101  11.473  -3.548  -0.543
  775   2HZ   LYS 101          HZ2       LYS 101  12.819  -4.358   0.051
  776   3HZ   LYS 101          HZ3       LYS 101  12.960  -2.956  -0.789
  777    H    VAL 102           H        VAL 102  13.655  -5.728  -8.251
  778    HA   VAL 102           HA       VAL 102  12.731  -3.021  -8.967
  779    HB   VAL 102           HB       VAL 102  15.269  -4.434  -9.848
  780   1HG1  VAL 102          HG11      VAL 102  15.978  -2.073 -10.441
  781   2HG1  VAL 102          HG12      VAL 102  14.614  -2.648 -11.401
  782   3HG1  VAL 102          HG13      VAL 102  14.338  -1.527 -10.058
  783   1HG2  VAL 102          HG21      VAL 102  15.274  -3.876  -7.327
  784   2HG2  VAL 102          HG22      VAL 102  16.571  -3.219  -8.347
  785   3HG2  VAL 102          HG23      VAL 102  15.239  -2.179  -7.821
  786    H    PHE 103           H        PHE 103  11.891  -2.683 -11.026
  787    HA   PHE 103           HA       PHE 103  12.193  -4.782 -13.079
  788   1HB   PHE 103          HB2       PHE 103   9.557  -3.449 -12.349
  789   2HB   PHE 103          HB3       PHE 103   9.827  -4.549 -13.696
  790    HD1  PHE 103           HD1      PHE 103   9.997  -6.981 -13.342
  791    HD2  PHE 103           HD2      PHE 103   9.506  -4.284 -10.010
  792    HE1  PHE 103           HE1      PHE 103   9.424  -8.896 -11.869
  793    HE2  PHE 103           HE2      PHE 103   8.931  -6.201  -8.543
  794    HZ   PHE 103           HZ       PHE 103   8.894  -8.512  -9.468
  795    H    THR 104           H        THR 104  12.021  -3.857 -15.206
  796    HA   THR 104           HA       THR 104  12.907  -1.083 -15.173
  797    HB   THR 104           HB       THR 104  12.689  -2.684 -17.711
  798    HG1  THR 104           HG1      THR 104  13.607  -4.128 -16.271
  799   1HG2  THR 104          HG21      THR 104  13.553  -0.346 -17.762
  800   2HG2  THR 104          HG22      THR 104  14.766  -0.794 -16.538
  801   3HG2  THR 104          HG23      THR 104  14.811  -1.514 -18.169
  802    H    LEU 105           H        LEU 105  11.961   0.605 -16.482
  803    HA   LEU 105           HA       LEU 105   9.311   0.856 -15.908
  804   1HB   LEU 105          HB2       LEU 105  10.849   2.739 -16.304
  805   2HB   LEU 105          HB3       LEU 105  10.736   2.451 -18.046
  806    HG   LEU 105           HG       LEU 105   8.292   2.944 -17.970
  807   1HD1  LEU 105          HD11      LEU 105   8.766   3.518 -15.003
  808   2HD1  LEU 105          HD12      LEU 105   7.332   4.035 -15.902
  809   3HD1  LEU 105          HD13      LEU 105   7.638   2.321 -15.691
  810   1HD2  LEU 105          HD21      LEU 105   9.921   4.722 -18.419
  811   2HD2  LEU 105          HD22      LEU 105   8.497   5.354 -17.567
  812   3HD2  LEU 105          HD23      LEU 105  10.017   5.087 -16.690
  813    H    LYS 106           H        LYS 106  10.438  -0.048 -19.244
  814    HA   LYS 106           HA       LYS 106   7.614  -0.351 -20.045
  815   1HB   LYS 106          HB2       LYS 106  10.216  -1.232 -21.349
  816   2HB   LYS 106          HB3       LYS 106   8.639  -1.633 -22.010
  817   1HG   LYS 106          HG2       LYS 106   9.436   1.246 -21.436
  818   2HG   LYS 106          HG3       LYS 106   9.798   0.442 -22.968
  819   1HD   LYS 106          HD2       LYS 106   7.500   0.116 -23.501
  820   2HD   LYS 106          HD3       LYS 106   6.958   0.672 -21.903
  821   1HE   LYS 106          HE2       LYS 106   7.697   2.903 -22.290
  822   2HE   LYS 106          HE3       LYS 106   8.651   2.433 -23.707
  823   1HZ   LYS 106          HZ1       LYS 106   6.670   3.519 -24.410
  824   2HZ   LYS 106          HZ2       LYS 106   6.568   1.956 -24.868
  825   3HZ   LYS 106          HZ3       LYS 106   5.692   2.481 -23.586
  826    H    GLU 107           H        GLU 107  10.288  -2.527 -19.132
  827    HA   GLU 107           HA       GLU 107   9.229  -4.969 -19.514
  828   1HB   GLU 107          HB2       GLU 107  11.494  -4.513 -18.760
  829   2HB   GLU 107          HB3       GLU 107  10.893  -3.982 -17.189
  830   1HG   GLU 107          HG2       GLU 107  10.123  -6.274 -16.683
  831   2HG   GLU 107          HG3       GLU 107  10.731  -6.813 -18.258
  832    H    TYR 108           H        TYR 108   8.574  -2.992 -16.559
  833    HA   TYR 108           HA       TYR 108   7.102  -4.946 -15.172
  834   1HB   TYR 108          HB2       TYR 108   8.017  -2.755 -14.297
  835   2HB   TYR 108          HB3       TYR 108   6.634  -1.951 -15.033
  836    HD1  TYR 108           HD1      TYR 108   4.568  -1.811 -13.751
  837    HD2  TYR 108           HD2      TYR 108   7.508  -4.787 -12.745
  838    HE1  TYR 108           HE1      TYR 108   3.284  -2.391 -11.716
  839    HE2  TYR 108           HE2      TYR 108   6.276  -5.340 -10.684
  840    HH   TYR 108           HH       TYR 108   3.070  -4.010  -9.946
  841    H    VAL 109           H        VAL 109   6.099  -2.876 -17.828
  842    HA   VAL 109           HA       VAL 109   3.222  -3.314 -17.247
  843    HB   VAL 109           HB       VAL 109   4.433  -1.256 -19.127
  844   1HG1  VAL 109          HG11      VAL 109   1.899  -1.168 -17.433
  845   2HG1  VAL 109          HG12      VAL 109   2.424   0.014 -18.653
  846   3HG1  VAL 109          HG13      VAL 109   1.939  -1.609 -19.160
  847   1HG2  VAL 109          HG21      VAL 109   5.596  -0.788 -17.099
  848   2HG2  VAL 109          HG22      VAL 109   4.263   0.350 -17.158
  849   3HG2  VAL 109          HG23      VAL 109   4.153  -1.093 -16.117
  850    H    THR 110           H        THR 110   5.595  -3.338 -20.012
  851    HA   THR 110           HA       THR 110   3.554  -4.412 -21.814
  852    HB   THR 110           HB       THR 110   5.365  -4.177 -23.474
  853    HG1  THR 110           HG1      THR 110   7.370  -3.396 -22.792
  854   1HG2  THR 110          HG21      THR 110   4.011  -2.141 -22.819
  855   2HG2  THR 110          HG22      THR 110   5.309  -1.687 -21.691
  856   3HG2  THR 110          HG23      THR 110   5.629  -1.768 -23.434
  857    H    GLY 111           H        GLY 111   6.084  -5.627 -19.723
  858   1HA   GLY 111          HA2       GLY 111   6.808  -7.774 -19.318
  859   2HA   GLY 111          HA3       GLY 111   5.725  -8.402 -20.572
  860    H    SER 112           H        SER 112   7.751  -5.683 -21.538
  861    HA   SER 112           HA       SER 112   9.691  -7.477 -22.876
  862   1HB   SER 112          HB2       SER 112   8.054  -5.262 -24.183
  863   2HB   SER 112          HB3       SER 112   9.291  -6.255 -24.970
  864    HG   SER 112           HG       SER 112   7.164  -7.009 -25.382
  865    H    HIS 113           H        HIS 113  11.651  -6.461 -23.464
  866    HA   HIS 113           HA       HIS 113  12.629  -4.529 -21.638
  867   1HB   HIS 113          HB2       HIS 113  13.692  -5.618 -24.289
  868   2HB   HIS 113          HB3       HIS 113  14.617  -4.548 -23.248
  869    HD1  HIS 113           HD1      HIS 113  14.949  -5.552 -20.625
  870    HD2  HIS 113           HD2      HIS 113  14.001  -8.195 -23.758
  871    HE1  HIS 113           HE1      HIS 113  15.556  -7.901 -19.794
  872    H    GLY 114           H        GLY 114  12.992  -2.304 -21.816
  873   1HA   GLY 114          HA2       GLY 114  13.420  -0.753 -23.989
  874   2HA   GLY 114          HA3       GLY 114  11.653  -0.817 -23.944
  875    H    ASP 115           H        ASP 115  12.244   1.592 -23.686
  876    HA   ASP 115           HA       ASP 115  11.654   2.287 -20.925
  877   1HB   ASP 115          HB2       ASP 115  14.131   2.501 -21.025
  878   2HB   ASP 115          HB3       ASP 115  13.976   3.573 -22.416
  879    H    VAL 116           H        VAL 116  10.894   4.567 -20.901
  880    HA   VAL 116           HA       VAL 116   9.171   5.329 -23.153
  881    HB   VAL 116           HB       VAL 116   9.856   6.459 -20.407
  882   1HG1  VAL 116          HG11      VAL 116   7.947   7.965 -20.530
  883   2HG1  VAL 116          HG12      VAL 116   9.133   8.378 -21.760
  884   3HG1  VAL 116          HG13      VAL 116   7.655   7.507 -22.212
  885   1HG2  VAL 116          HG21      VAL 116   8.550   4.370 -20.334
  886   2HG2  VAL 116          HG22      VAL 116   7.573   5.732 -19.799
  887   3HG2  VAL 116          HG23      VAL 116   7.340   5.080 -21.431
  888    H    LEU 117           H        LEU 117   9.448   7.634 -24.076
  889    HA   LEU 117           HA       LEU 117  11.983   8.213 -25.121
  890   1HB   LEU 117          HB2       LEU 117   9.732   9.045 -25.858
  891   2HB   LEU 117          HB3       LEU 117   9.731  10.193 -24.524
  892    HG   LEU 117           HG       LEU 117  12.069  10.175 -26.466
  893   1HD1  LEU 117          HD11      LEU 117  10.112  10.119 -27.932
  894   2HD1  LEU 117          HD12      LEU 117   9.366  11.457 -27.032
  895   3HD1  LEU 117          HD13      LEU 117  10.859  11.722 -27.962
  896   1HD2  LEU 117          HD21      LEU 117  12.280  12.463 -25.990
  897   2HD2  LEU 117          HD22      LEU 117  10.653  12.579 -25.284
  898   3HD2  LEU 117          HD23      LEU 117  11.942  11.749 -24.412
  899    H    ASP 118           H        ASP 118  13.709   9.408 -24.387
  900    HA   ASP 118           HA       ASP 118  13.762  10.173 -21.516
  901   1HB   ASP 118          HB2       ASP 118  15.465   8.621 -21.999
  902   2HB   ASP 118          HB3       ASP 118  15.943   9.481 -23.469
  903    HA   PRO 119           HA       PRO 119  13.752  14.249 -23.475
  904   1HB   PRO 119          HB2       PRO 119  12.467  15.698 -21.594
  905   2HB   PRO 119          HB3       PRO 119  11.607  14.432 -22.489
  906   1HG   PRO 119          HG2       PRO 119  12.939  14.189 -19.759
  907   2HG   PRO 119          HG3       PRO 119  11.254  13.764 -20.189
  908   1HD   PRO 119          HD2       PRO 119  13.293  11.918 -20.166
  909   2HD   PRO 119          HD3       PRO 119  11.961  11.836 -21.358
  910    H    PHE 120           H        PHE 120  15.733  13.227 -20.885
  911    HA   PHE 120           HA       PHE 120  16.200  15.484 -19.436
  912   1HB   PHE 120          HB2       PHE 120  17.082  13.265 -18.911
  913   2HB   PHE 120          HB3       PHE 120  18.280  13.422 -20.190
  914    HD1  PHE 120           HD1      PHE 120  17.034  15.414 -17.205
  915    HD2  PHE 120           HD2      PHE 120  20.438  14.091 -19.512
  916    HE1  PHE 120           HE1      PHE 120  18.556  16.526 -15.603
  917    HE2  PHE 120           HE2      PHE 120  21.954  15.216 -17.904
  918    HZ   PHE 120           HZ       PHE 120  21.019  16.433 -15.945
  919    H    GLY 121           H        GLY 121  16.570  17.499 -20.066
  920   1HA   GLY 121          HA2       GLY 121  17.983  19.248 -20.628
  921   2HA   GLY 121          HA3       GLY 121  19.056  18.144 -21.496
  922    H    GLY 122           H        GLY 122  15.827  17.587 -22.486
  923   1HA   GLY 122          HA2       GLY 122  16.222  18.833 -25.091
  924   2HA   GLY 122          HA3       GLY 122  14.842  17.883 -24.528
  925    H    SER 123           H        SER 123  14.010  19.895 -25.947
  926    HA   SER 123           HA       SER 123  13.547  22.341 -24.423
  927   1HB   SER 123          HB2       SER 123  12.019  22.779 -26.412
  928   2HB   SER 123          HB3       SER 123  13.738  22.584 -26.784
  929    HG   SER 123           HG       SER 123  12.457  21.395 -28.222
  930    H    ILE 124           H        ILE 124  11.170  22.945 -24.119
  931    HA   ILE 124           HA       ILE 124   9.877  21.165 -22.394
  932    HB   ILE 124           HB       ILE 124   9.482  23.515 -22.285
  933   1HG1  ILE 124          HG12      ILE 124   7.054  23.710 -22.165
  934   2HG1  ILE 124          HG13      ILE 124   6.839  22.278 -23.165
  935   1HG2  ILE 124          HG21      ILE 124   8.226  24.816 -23.948
  936   2HG2  ILE 124          HG22      ILE 124   9.718  24.191 -24.641
  937   3HG2  ILE 124          HG23      ILE 124   8.163  23.415 -25.028
  938   1HD1  ILE 124          HD11      ILE 124   6.446  21.853 -20.762
  939   2HD1  ILE 124          HD12      ILE 124   7.759  20.855 -21.383
  940   3HD1  ILE 124          HD13      ILE 124   8.131  22.294 -20.401
  941    H    ASP 125           H        ASP 125   9.598  21.459 -25.907
  942    HA   ASP 125           HA       ASP 125   7.255  19.886 -26.185
  943   1HB   ASP 125          HB2       ASP 125   8.093  21.119 -28.096
  944   2HB   ASP 125          HB3       ASP 125   9.582  20.157 -28.104
  945    H    ILE 126           H        ILE 126  10.660  18.919 -25.764
  946    HA   ILE 126           HA       ILE 126  10.144  16.138 -26.414
  947    HB   ILE 126           HB       ILE 126  12.443  17.212 -24.752
  948   1HG1  ILE 126          HG12      ILE 126  12.431  18.493 -26.833
  949   2HG1  ILE 126          HG13      ILE 126  13.780  17.380 -26.790
  950   1HG2  ILE 126          HG21      ILE 126  13.624  15.219 -25.623
  951   2HG2  ILE 126          HG22      ILE 126  12.143  14.758 -24.762
  952   3HG2  ILE 126          HG23      ILE 126  12.163  14.734 -26.515
  953   1HD1  ILE 126          HD11      ILE 126  12.735  17.496 -29.027
  954   2HD1  ILE 126          HD12      ILE 126  12.634  15.858 -28.367
  955   3HD1  ILE 126          HD13      ILE 126  11.200  16.912 -28.359
  956    H    TYR 127           H        TYR 127  10.210  18.057 -23.422
  957    HA   TYR 127           HA       TYR 127   9.704  15.851 -21.661
  958   1HB   TYR 127          HB2       TYR 127   9.396  18.864 -21.436
  959   2HB   TYR 127          HB3       TYR 127   8.866  17.781 -20.158
  960    HD1  TYR 127           HD1      TYR 127  10.393  16.371 -18.956
  961    HD2  TYR 127           HD2      TYR 127  11.874  19.141 -21.869
  962    HE1  TYR 127           HE1      TYR 127  12.676  16.146 -17.984
  963    HE2  TYR 127           HE2      TYR 127  14.155  18.936 -20.931
  964    HH   TYR 127           HH       TYR 127  14.858  16.917 -18.046
  965    H    LYS 128           H        LYS 128   7.631  18.059 -23.479
  966    HA   LYS 128           HA       LYS 128   5.157  17.045 -22.471
  967   1HB   LYS 128          HB2       LYS 128   5.116  19.192 -23.306
  968   2HB   LYS 128          HB3       LYS 128   6.014  18.802 -24.748
  969   1HG   LYS 128          HG2       LYS 128   3.146  17.896 -24.322
  970   2HG   LYS 128          HG3       LYS 128   3.610  19.435 -25.050
  971   1HD   LYS 128          HD2       LYS 128   5.153  17.700 -26.538
  972   2HD   LYS 128          HD3       LYS 128   3.760  16.683 -26.170
  973   1HE   LYS 128          HE2       LYS 128   3.174  17.667 -28.196
  974   2HE   LYS 128          HE3       LYS 128   2.296  18.641 -27.016
  975   1HZ   LYS 128          HZ1       LYS 128   4.916  19.371 -28.235
  976   2HZ   LYS 128          HZ2       LYS 128   3.464  19.973 -28.703
  977   3HZ   LYS 128          HZ3       LYS 128   4.037  20.324 -27.220
  978    H    GLN 129           H        GLN 129   7.151  16.014 -25.271
  979    HA   GLN 129           HA       GLN 129   5.233  14.070 -26.147
  980   1HB   GLN 129          HB2       GLN 129   8.274  13.962 -26.406
  981   2HB   GLN 129          HB3       GLN 129   7.141  12.911 -27.238
  982   1HG   GLN 129          HG2       GLN 129   7.582  15.865 -27.711
  983   2HG   GLN 129          HG3       GLN 129   7.937  14.545 -28.786
  984   1HE2  GLN 129          HE22      GLN 129   6.092  17.080 -28.915
  985   2HE2  GLN 129          HE21      GLN 129   4.634  16.383 -29.597
  986    H    THR 130           H        THR 130   7.896  13.985 -23.812
  987    HA   THR 130           HA       THR 130   7.693  11.242 -23.159
  988    HB   THR 130           HB       THR 130   8.636  13.572 -21.430
  989    HG1  THR 130           HG1      THR 130   9.792  13.456 -23.324
  990   1HG2  THR 130          HG21      THR 130   9.221  10.593 -21.238
  991   2HG2  THR 130          HG22      THR 130   9.995  11.865 -20.269
  992   3HG2  THR 130          HG23      THR 130   8.276  11.542 -20.070
  993    H    ARG 131           H        ARG 131   6.095  14.098 -21.673
  994    HA   ARG 131           HA       ARG 131   5.002  12.559 -19.561
  995   1HB   ARG 131          HB2       ARG 131   3.860  14.428 -18.826
  996   2HB   ARG 131          HB3       ARG 131   5.219  15.132 -19.695
  997   1HG   ARG 131          HG2       ARG 131   3.640  15.325 -21.701
  998   2HG   ARG 131          HG3       ARG 131   2.322  14.872 -20.628
  999   1HD   ARG 131          HD2       ARG 131   2.755  16.889 -19.255
 1000   2HD   ARG 131          HD3       ARG 131   4.134  17.283 -20.299
 1001    HE   ARG 131           HE       ARG 131   1.798  16.936 -21.903
 1002   1HH1  ARG 131          HH21      ARG 131   2.996  19.361 -19.540
 1003   2HH1  ARG 131          HH22      ARG 131   2.631  20.676 -20.651
 1004   1HH2  ARG 131          HH11      ARG 131   1.088  18.838 -23.101
 1005   2HH2  ARG 131          HH12      ARG 131   1.535  20.409 -22.466
 1006    H    ASP 132           H        ASP 132   3.846  13.096 -22.852
 1007    HA   ASP 132           HA       ASP 132   1.202  12.111 -22.367
 1008   1HB   ASP 132          HB2       ASP 132   1.723  13.481 -24.336
 1009   2HB   ASP 132          HB3       ASP 132   2.864  12.270 -24.918
 1010    H    GLU 133           H        GLU 133   4.234  10.551 -23.427
 1011    HA   GLU 133           HA       GLU 133   2.985   7.968 -23.794
 1012   1HB   GLU 133          HB2       GLU 133   5.081   8.570 -24.957
 1013   2HB   GLU 133          HB3       GLU 133   5.908   8.759 -23.401
 1014   1HG   GLU 133          HG2       GLU 133   5.530   6.344 -22.914
 1015   2HG   GLU 133          HG3       GLU 133   4.664   6.176 -24.441
 1016    H    LEU 134           H        LEU 134   4.806   9.572 -21.250
 1017    HA   LEU 134           HA       LEU 134   5.022   7.432 -19.449
 1018   1HB   LEU 134          HB2       LEU 134   6.344   9.569 -19.451
 1019   2HB   LEU 134          HB3       LEU 134   4.892  10.434 -18.938
 1020    HG   LEU 134           HG       LEU 134   4.908   9.198 -16.803
 1021   1HD1  LEU 134          HD11      LEU 134   6.021   7.107 -17.459
 1022   2HD1  LEU 134          HD12      LEU 134   7.506   8.000 -17.870
 1023   3HD1  LEU 134          HD13      LEU 134   6.954   7.892 -16.184
 1024   1HD2  LEU 134          HD21      LEU 134   7.531  10.581 -17.522
 1025   2HD2  LEU 134          HD22      LEU 134   6.045  11.374 -16.985
 1026   3HD2  LEU 134          HD23      LEU 134   6.926  10.314 -15.878
 1027    H    GLU 135           H        GLU 135   2.441   9.903 -19.842
 1028    HA   GLU 135           HA       GLU 135   1.041   9.025 -17.520
 1029   1HB   GLU 135          HB2       GLU 135   0.721  11.260 -18.611
 1030   2HB   GLU 135          HB3       GLU 135  -0.122  10.457 -19.948
 1031   1HG   GLU 135          HG2       GLU 135  -1.873   9.688 -18.417
 1032   2HG   GLU 135          HG3       GLU 135  -0.910  10.200 -17.024
 1033    H    GLU 136           H        GLU 136   0.898   8.020 -20.939
 1034    HA   GLU 136           HA       GLU 136  -1.421   6.398 -20.580
 1035   1HB   GLU 136          HB2       GLU 136  -0.580   7.162 -22.789
 1036   2HB   GLU 136          HB3       GLU 136   0.836   6.114 -22.614
 1037   1HG   GLU 136          HG2       GLU 136  -0.624   4.119 -22.568
 1038   2HG   GLU 136          HG3       GLU 136  -2.058   5.147 -22.636
 1039    H    LEU 137           H        LEU 137   2.065   5.721 -20.341
 1040    HA   LEU 137           HA       LEU 137   1.748   2.935 -19.788
 1041   1HB   LEU 137          HB2       LEU 137   3.818   3.861 -20.646
 1042   2HB   LEU 137          HB3       LEU 137   4.032   4.872 -19.217
 1043    HG   LEU 137           HG       LEU 137   3.633   2.002 -18.583
 1044   1HD1  LEU 137          HD11      LEU 137   6.145   2.797 -20.109
 1045   2HD1  LEU 137          HD12      LEU 137   5.871   1.252 -19.274
 1046   3HD1  LEU 137          HD13      LEU 137   4.877   1.675 -20.670
 1047   1HD2  LEU 137          HD21      LEU 137   4.361   3.652 -16.894
 1048   2HD2  LEU 137          HD22      LEU 137   5.580   2.391 -17.113
 1049   3HD2  LEU 137          HD23      LEU 137   5.820   3.993 -17.846
 1050    H    LEU 138           H        LEU 138   1.954   5.828 -17.715
 1051    HA   LEU 138           HA       LEU 138   2.044   4.270 -15.319
 1052   1HB   LEU 138          HB2       LEU 138   1.595   7.206 -15.809
 1053   2HB   LEU 138          HB3       LEU 138   1.483   6.508 -14.202
 1054    HG   LEU 138           HG       LEU 138   3.963   6.284 -15.963
 1055   1HD1  LEU 138          HD11      LEU 138   3.454   8.037 -13.525
 1056   2HD1  LEU 138          HD12      LEU 138   4.943   7.934 -14.492
 1057   3HD1  LEU 138          HD13      LEU 138   3.469   8.591 -15.217
 1058   1HD2  LEU 138          HD21      LEU 138   3.533   5.522 -13.045
 1059   2HD2  LEU 138          HD22      LEU 138   3.939   4.428 -14.389
 1060   3HD2  LEU 138          HD23      LEU 138   5.108   5.624 -13.856
 1061    H    ARG 139           H        ARG 139  -0.616   5.428 -17.311
 1062    HA   ARG 139           HA       ARG 139  -2.584   4.814 -15.271
 1063   1HB   ARG 139          HB2       ARG 139  -2.828   5.277 -18.264
 1064   2HB   ARG 139          HB3       ARG 139  -4.179   4.725 -17.265
 1065   1HG   ARG 139          HG2       ARG 139  -3.711   6.717 -15.717
 1066   2HG   ARG 139          HG3       ARG 139  -2.620   7.326 -16.945
 1067   1HD   ARG 139          HD2       ARG 139  -4.793   8.413 -17.163
 1068   2HD   ARG 139          HD3       ARG 139  -4.463   7.420 -18.581
 1069    HE   ARG 139           HE       ARG 139  -6.336   6.223 -18.151
 1070   1HH1  ARG 139          HH21      ARG 139  -5.438   7.703 -15.013
 1071   2HH1  ARG 139          HH22      ARG 139  -6.793   6.926 -14.196
 1072   1HH2  ARG 139          HH11      ARG 139  -8.103   5.287 -16.914
 1073   2HH2  ARG 139          HH12      ARG 139  -8.185   5.646 -15.199
 1074    H    GLN 140           H        GLN 140  -1.004   2.927 -17.863
 1075    HA   GLN 140           HA       GLN 140  -2.513   0.563 -17.302
 1076   1HB   GLN 140          HB2       GLN 140   0.321   0.807 -18.340
 1077   2HB   GLN 140          HB3       GLN 140  -0.630  -0.687 -18.279
 1078   1HG   GLN 140          HG2       GLN 140  -2.243   0.209 -19.861
 1079   2HG   GLN 140          HG3       GLN 140  -1.424   1.773 -19.880
 1080   1HE2  GLN 140          HE22      GLN 140  -1.075  -1.680 -20.812
 1081   2HE2  GLN 140          HE21      GLN 140   0.197  -1.408 -21.972
 1082    H    LEU 141           H        LEU 141   0.400   1.959 -15.780
 1083    HA   LEU 141           HA       LEU 141   0.914  -0.115 -13.942
 1084   1HB   LEU 141          HB2       LEU 141   1.785   2.575 -14.265
 1085   2HB   LEU 141          HB3       LEU 141   1.137   2.501 -12.648
 1086    HG   LEU 141           HG       LEU 141   2.660   0.294 -12.522
 1087   1HD1  LEU 141          HD11      LEU 141   4.082   1.990 -14.605
 1088   2HD1  LEU 141          HD12      LEU 141   4.676   0.497 -13.851
 1089   3HD1  LEU 141          HD13      LEU 141   3.244   0.456 -14.900
 1090   1HD2  LEU 141          HD21      LEU 141   3.814   3.106 -12.328
 1091   2HD2  LEU 141          HD22      LEU 141   2.868   2.294 -11.065
 1092   3HD2  LEU 141          HD23      LEU 141   4.437   1.642 -11.538
 1093    H    ALA 142           H        ALA 142  -1.452   2.541 -13.737
 1094    HA   ALA 142           HA       ALA 142  -2.395   1.855 -11.136
 1095   1HB   ALA 142          HB1       ALA 142  -2.822   4.055 -12.116
 1096   2HB   ALA 142          HB2       ALA 142  -3.878   3.329 -13.352
 1097   3HB   ALA 142          HB3       ALA 142  -4.334   3.262 -11.645
 1098    H    LYS 143           H        LYS 143  -3.402   0.780 -14.389
 1099    HA   LYS 143           HA       LYS 143  -5.639  -0.771 -13.544
 1100   1HB   LYS 143          HB2       LYS 143  -3.726  -1.370 -15.845
 1101   2HB   LYS 143          HB3       LYS 143  -5.264  -2.168 -15.559
 1102   1HG   LYS 143          HG2       LYS 143  -6.493  -0.083 -15.923
 1103   2HG   LYS 143          HG3       LYS 143  -4.989   0.822 -16.060
 1104   1HD   LYS 143          HD2       LYS 143  -5.801   0.472 -18.274
 1105   2HD   LYS 143          HD3       LYS 143  -4.363  -0.542 -18.075
 1106   1HE   LYS 143          HE2       LYS 143  -5.811  -2.523 -17.673
 1107   2HE   LYS 143          HE3       LYS 143  -7.252  -1.505 -17.790
 1108   1HZ   LYS 143          HZ1       LYS 143  -6.822  -2.661 -19.856
 1109   2HZ   LYS 143          HZ2       LYS 143  -6.674  -1.060 -20.104
 1110   3HZ   LYS 143          HZ3       LYS 143  -5.341  -2.004 -20.000
 1111    H    GLN 144           H        GLN 144  -2.184  -1.624 -13.836
 1112    HA   GLN 144           HA       GLN 144  -2.419  -4.301 -12.934
 1113   1HB   GLN 144          HB2       GLN 144  -0.082  -2.352 -12.676
 1114   2HB   GLN 144          HB3       GLN 144   0.001  -4.067 -12.292
 1115   1HG   GLN 144          HG2       GLN 144  -0.576  -4.672 -14.595
 1116   2HG   GLN 144          HG3       GLN 144  -0.760  -2.980 -15.040
 1117   1HE2  GLN 144          HE22      GLN 144   1.521  -5.576 -14.628
 1118   2HE2  GLN 144          HE21      GLN 144   2.955  -4.646 -15.021
 1119    H    LEU 145           H        LEU 145  -1.710  -1.301 -11.043
 1120    HA   LEU 145           HA       LEU 145  -1.607  -2.687  -8.567
 1121   1HB   LEU 145          HB2       LEU 145  -1.950   0.236  -9.245
 1122   2HB   LEU 145          HB3       LEU 145  -1.780  -0.348  -7.588
 1123    HG   LEU 145           HG       LEU 145   0.290  -0.847  -9.777
 1124   1HD1  LEU 145          HD11      LEU 145   0.439   1.095  -7.440
 1125   2HD1  LEU 145          HD12      LEU 145   1.668   0.824  -8.697
 1126   3HD1  LEU 145          HD13      LEU 145   0.125   1.554  -9.136
 1127   1HD2  LEU 145          HD21      LEU 145   1.782  -1.495  -7.970
 1128   2HD2  LEU 145          HD22      LEU 145   0.464  -1.306  -6.775
 1129   3HD2  LEU 145          HD23      LEU 145   0.384  -2.549  -8.039
 1130    H    LYS 146           H        LYS 146  -4.405  -1.529 -10.312
 1131    HA   LYS 146           HA       LYS 146  -6.135  -1.874  -7.941
 1132   1HB   LYS 146          HB2       LYS 146  -6.506  -1.048 -10.812
 1133   2HB   LYS 146          HB3       LYS 146  -7.881  -1.814  -9.986
 1134   1HG   LYS 146          HG2       LYS 146  -7.669  -0.168  -8.137
 1135   2HG   LYS 146          HG3       LYS 146  -6.341   0.614  -9.011
 1136   1HD   LYS 146          HD2       LYS 146  -7.839   1.222 -10.847
 1137   2HD   LYS 146          HD3       LYS 146  -9.171   0.304 -10.106
 1138   1HE   LYS 146          HE2       LYS 146  -9.089   1.784  -8.112
 1139   2HE   LYS 146          HE3       LYS 146  -7.771   2.705  -8.847
 1140   1HZ   LYS 146          HZ1       LYS 146  -9.283   3.359 -10.624
 1141   2HZ   LYS 146          HZ2       LYS 146 -10.516   2.500  -9.942
 1142   3HZ   LYS 146          HZ3       LYS 146  -9.882   3.795  -9.157
 1143    H    LYS 147           H        LYS 147  -4.953  -3.823 -10.690
 1144    HA   LYS 147           HA       LYS 147  -6.882  -5.889 -10.354
 1145   1HB   LYS 147          HB2       LYS 147  -5.535  -5.478 -12.425
 1146   2HB   LYS 147          HB3       LYS 147  -4.093  -6.071 -11.584
 1147   1HG   LYS 147          HG2       LYS 147  -5.194  -8.284 -11.306
 1148   2HG   LYS 147          HG3       LYS 147  -6.623  -7.657 -12.161
 1149   1HD   LYS 147          HD2       LYS 147  -5.105  -7.104 -14.116
 1150   2HD   LYS 147          HD3       LYS 147  -3.788  -7.940 -13.286
 1151   1HE   LYS 147          HE2       LYS 147  -6.472  -9.159 -14.053
 1152   2HE   LYS 147          HE3       LYS 147  -5.001  -9.291 -15.022
 1153   1HZ   LYS 147          HZ1       LYS 147  -5.307 -11.255 -13.679
 1154   2HZ   LYS 147          HZ2       LYS 147  -3.965 -10.486 -13.177
 1155   3HZ   LYS 147          HZ3       LYS 147  -5.343 -10.401 -12.294
 1156    H    ASP 148           H        ASP 148  -3.559  -5.460  -9.073
 1157    HA   ASP 148           HA       ASP 148  -4.243  -7.040  -6.715
 1158   1HB   ASP 148          HB2       ASP 148  -3.206  -8.726  -8.333
 1159   2HB   ASP 148          HB3       ASP 148  -1.745  -7.726  -8.336
 1160    H    ARG 149           H        ARG 149  -2.301  -6.655  -5.095
 1161    HA   ARG 149           HA       ARG 149  -1.799  -3.826  -5.115
 1162   1HB   ARG 149          HB2       ARG 149  -0.768  -4.094  -3.023
 1163   2HB   ARG 149          HB3       ARG 149  -2.156  -5.169  -3.043
 1164   1HG   ARG 149          HG2       ARG 149  -0.801  -7.132  -3.154
 1165   2HG   ARG 149          HG3       ARG 149   0.604  -6.249  -3.736
 1166   1HD   ARG 149          HD2       ARG 149   0.300  -4.960  -1.366
 1167   2HD   ARG 149          HD3       ARG 149  -0.455  -6.493  -0.942
 1168    HE   ARG 149           HE       ARG 149   1.622  -7.437  -0.866
 1169   1HH1  ARG 149          HH11      ARG 149   1.934  -4.579  -3.015
 1170   2HH1  ARG 149          HH12      ARG 149   3.664  -4.546  -2.889
 1171   1HH2  ARG 149          HH21      ARG 149   3.916  -7.335  -0.744
 1172   2HH2  ARG 149          HH22      ARG 149   4.792  -6.049  -1.513
 1173    H    ARG 150           H        ARG 150  -0.406  -5.550  -7.293
 1174    HA   ARG 150           HA       ARG 150   2.039  -4.041  -7.451
 1175   1HB   ARG 150          HB2       ARG 150   2.056  -7.061  -7.126
 1176   2HB   ARG 150          HB3       ARG 150   3.224  -6.266  -8.184
 1177   1HG   ARG 150          HG2       ARG 150   4.069  -4.891  -6.358
 1178   2HG   ARG 150          HG3       ARG 150   2.882  -5.598  -5.237
 1179   1HD   ARG 150          HD2       ARG 150   3.807  -7.828  -5.595
 1180   2HD   ARG 150          HD3       ARG 150   4.986  -7.177  -6.751
 1181    HE   ARG 150           HE       ARG 150   5.276  -5.771  -4.284
 1182   1HH1  ARG 150          HH21      ARG 150   5.986  -8.948  -5.732
 1183   2HH1  ARG 150          HH22      ARG 150   7.259  -9.317  -4.631
 1184   1HH2  ARG 150          HH11      ARG 150   6.873  -6.324  -2.745
 1185   2HH2  ARG 150          HH12      ARG 150   7.807  -7.775  -2.928
  Start of MODEL   16
    1   1H    MET   1           H1       MET   1   0.985   0.428  -0.393
    2   2H    MET   1           H2       MET   1   0.958  -1.215  -0.406
    3   3H    MET   1           H3       MET   1   2.143  -0.410   0.392
    4    HA   MET   1           HA       MET   1   3.040  -1.266  -1.635
    5   1HB   MET   1          HB2       MET   1   0.965  -1.392  -2.922
    6   2HB   MET   1          HB3       MET   1   0.822   0.366  -2.948
    7   1HG   MET   1          HG2       MET   1   1.678  -0.633  -5.061
    8   2HG   MET   1          HG3       MET   1   2.753   0.580  -4.382
    9   1HE   MET   1          HE1       MET   1   2.624  -2.632  -6.169
   10   2HE   MET   1          HE2       MET   1   3.713  -1.321  -6.685
   11   3HE   MET   1          HE3       MET   1   4.364  -2.911  -6.218
   12    H    ASP   2           H        ASP   2   4.937  -0.199  -2.187
   13    HA   ASP   2           HA       ASP   2   5.059   2.723  -1.853
   14   1HB   ASP   2          HB2       ASP   2   5.540   1.562   0.330
   15   2HB   ASP   2          HB3       ASP   2   6.945   0.835  -0.438
   16    H    ILE   3           H        ILE   3   6.023   3.416  -3.738
   17    HA   ILE   3           HA       ILE   3   7.683   1.467  -5.244
   18    HB   ILE   3           HB       ILE   3   5.984   3.683  -6.395
   19   1HG1  ILE   3          HG12      ILE   3   5.186   0.757  -6.133
   20   2HG1  ILE   3          HG13      ILE   3   4.500   2.092  -5.215
   21   1HG2  ILE   3          HG21      ILE   3   7.336   1.297  -7.711
   22   2HG2  ILE   3          HG22      ILE   3   6.253   2.438  -8.542
   23   3HG2  ILE   3          HG23      ILE   3   7.773   3.003  -7.887
   24   1HD1  ILE   3          HD11      ILE   3   2.964   1.561  -6.923
   25   2HD1  ILE   3          HD12      ILE   3   3.676   3.132  -7.322
   26   3HD1  ILE   3          HD13      ILE   3   4.187   1.662  -8.194
   27    H    ILE   4           H        ILE   4   9.750   2.152  -5.929
   28    HA   ILE   4           HA       ILE   4  10.382   5.053  -5.640
   29    HB   ILE   4           HB       ILE   4  12.354   2.752  -5.735
   30   1HG1  ILE   4          HG12      ILE   4  11.653   4.383  -3.266
   31   2HG1  ILE   4          HG13      ILE   4  10.953   2.802  -3.612
   32   1HG2  ILE   4          HG21      ILE   4  13.200   4.937  -6.601
   33   2HG2  ILE   4          HG22      ILE   4  12.739   5.715  -5.076
   34   3HG2  ILE   4          HG23      ILE   4  14.013   4.481  -5.123
   35   1HD1  ILE   4          HD11      ILE   4  13.202   1.770  -3.651
   36   2HD1  ILE   4          HD12      ILE   4  13.921   3.337  -3.253
   37   3HD1  ILE   4          HD13      ILE   4  12.836   2.548  -2.108
   38    H    PHE   5           H        PHE   5  10.222   6.037  -7.584
   39    HA   PHE   5           HA       PHE   5  10.773   4.599 -10.086
   40   1HB   PHE   5          HB2       PHE   5  10.147   7.529  -9.470
   41   2HB   PHE   5          HB3       PHE   5  10.401   6.877 -11.082
   42    HD1  PHE   5           HD1      PHE   5   7.948   7.466  -8.488
   43    HD2  PHE   5           HD2      PHE   5   8.839   5.008 -11.924
   44    HE1  PHE   5           HE1      PHE   5   5.546   6.872  -8.701
   45    HE2  PHE   5           HE2      PHE   5   6.437   4.435 -12.132
   46    HZ   PHE   5           HZ       PHE   5   4.787   5.354 -10.515
   47    H    VAL   6           H        VAL   6  12.839   4.706 -11.070
   48    HA   VAL   6           HA       VAL   6  14.759   6.619  -9.943
   49    HB   VAL   6           HB       VAL   6  15.010   4.950  -8.403
   50   1HG1  VAL   6          HG11      VAL   6  13.769   3.107  -9.443
   51   2HG1  VAL   6          HG12      VAL   6  15.153   2.806 -10.530
   52   3HG1  VAL   6          HG13      VAL   6  15.313   2.587  -8.778
   53   1HG2  VAL   6          HG21      VAL   6  17.202   4.389 -10.435
   54   2HG2  VAL   6          HG22      VAL   6  17.159   5.718  -9.255
   55   3HG2  VAL   6          HG23      VAL   6  17.259   4.052  -8.700
   56    H    CYS   7           H        CYS   7  16.266   7.357 -11.125
   57    HA   CYS   7           HA       CYS   7  16.756   6.350 -13.887
   58   1HB   CYS   7          HB2       CYS   7  16.999   9.202 -12.856
   59   2HB   CYS   7          HB3       CYS   7  17.310   8.650 -14.508
   60    HG   CYS   7           HG       CYS   7  14.487   8.461 -12.807
   61    H    THR   8           H        THR   8  19.196   7.516 -14.478
   62    HA   THR   8           HA       THR   8  21.101   6.746 -12.471
   63    HB   THR   8           HB       THR   8  22.405   8.557 -14.097
   64    HG1  THR   8           HG1      THR   8  21.615   8.330 -16.138
   65   1HG2  THR   8          HG21      THR   8  23.213   6.332 -13.604
   66   2HG2  THR   8          HG22      THR   8  21.898   5.585 -14.516
   67   3HG2  THR   8          HG23      THR   8  23.150   6.526 -15.365
   68    H    GLY   9           H        GLY   9  19.931   9.964 -13.591
   69   1HA   GLY   9          HA2       GLY   9  21.204  11.194 -11.225
   70   2HA   GLY   9          HA3       GLY   9  20.769  11.959 -12.757
   71    H    ASN  10           H        ASN  10  18.305   9.982 -11.424
   72    HA   ASN  10           HA       ASN  10  16.245  10.294 -10.596
   73   1HB   ASN  10          HB2       ASN  10  17.340  11.096  -8.571
   74   2HB   ASN  10          HB3       ASN  10  17.427  12.730  -9.216
   75   1HD2  ASN  10          HD22      ASN  10  15.833  14.074  -8.382
   76   2HD2  ASN  10          HD21      ASN  10  14.289  13.478  -7.811
   77    H    THR  11           H        THR  11  17.387  13.590 -11.548
   78    HA   THR  11           HA       THR  11  14.797  14.610 -11.987
   79    HB   THR  11           HB       THR  11  16.126  16.454 -13.130
   80    HG1  THR  11           HG1      THR  11  18.384  16.213 -13.074
   81   1HG2  THR  11          HG21      THR  11  17.222  15.441 -10.467
   82   2HG2  THR  11          HG22      THR  11  17.385  17.082 -11.093
   83   3HG2  THR  11          HG23      THR  11  15.776  16.455 -10.671
   84    H    CYS  12           H        CYS  12  16.784  12.644 -14.077
   85    HA   CYS  12           HA       CYS  12  16.025  13.436 -16.601
   86   1HB   CYS  12          HB2       CYS  12  16.329  10.520 -15.803
   87   2HB   CYS  12          HB3       CYS  12  16.730  11.279 -17.345
   88    HG   CYS  12           HG       CYS  12  18.643  12.824 -16.400
   89    H    ARG  13           H        ARG  13  14.149  11.356 -14.349
   90    HA   ARG  13           HA       ARG  13  11.729  12.167 -15.629
   91   1HB   ARG  13          HB2       ARG  13  12.851  10.020 -17.001
   92   2HB   ARG  13          HB3       ARG  13  11.794   9.193 -15.859
   93   1HG   ARG  13          HG2       ARG  13   9.914  10.706 -16.597
   94   2HG   ARG  13          HG3       ARG  13  10.995  11.424 -17.797
   95   1HD   ARG  13          HD2       ARG  13  10.148   8.498 -17.674
   96   2HD   ARG  13          HD3       ARG  13   9.470   9.717 -18.741
   97    HE   ARG  13           HE       ARG  13  11.427   9.794 -20.042
   98   1HH1  ARG  13          HH21      ARG  13  11.636   7.215 -17.556
   99   2HH1  ARG  13          HH22      ARG  13  12.571   6.208 -18.627
  100   1HH2  ARG  13          HH11      ARG  13  12.876   8.482 -21.194
  101   2HH2  ARG  13          HH12      ARG  13  13.543   7.036 -20.483
  102    H    SER  14           H        SER  14  13.321  10.360 -13.008
  103    HA   SER  14           HA       SER  14  11.233   8.960 -11.957
  104   1HB   SER  14          HB2       SER  14  13.216  10.553 -10.334
  105   2HB   SER  14          HB3       SER  14  12.307   9.134  -9.802
  106    HG   SER  14           HG       SER  14  14.468   8.722 -10.399
  107    HA   PRO  15           HA       PRO  15   9.485  12.509  -9.408
  108   1HB   PRO  15          HB2       PRO  15   9.919  15.127  -9.883
  109   2HB   PRO  15          HB3       PRO  15  10.981  14.113  -8.870
  110   1HG   PRO  15          HG2       PRO  15  11.375  14.836 -11.793
  111   2HG   PRO  15          HG3       PRO  15  12.567  14.948 -10.456
  112   1HD   PRO  15          HD2       PRO  15  12.503  12.813 -12.117
  113   2HD   PRO  15          HD3       PRO  15  12.838  12.613 -10.372
  114    H    MET  16           H        MET  16   9.719  12.915 -12.934
  115    HA   MET  16           HA       MET  16   7.138  14.152 -13.261
  116   1HB   MET  16          HB2       MET  16   8.646  12.333 -15.186
  117   2HB   MET  16          HB3       MET  16   7.227  13.303 -15.565
  118   1HG   MET  16          HG2       MET  16   8.463  15.364 -15.229
  119   2HG   MET  16          HG3       MET  16   9.868  14.479 -14.627
  120   1HE   MET  16          HE1       MET  16   7.548  15.181 -17.636
  121   2HE   MET  16          HE2       MET  16   8.477  14.610 -19.042
  122   3HE   MET  16          HE3       MET  16   7.689  13.431 -17.956
  123    H    ALA  17           H        ALA  17   8.403  10.812 -13.214
  124    HA   ALA  17           HA       ALA  17   5.891   9.590 -13.703
  125   1HB   ALA  17          HB1       ALA  17   6.994   7.499 -13.022
  126   2HB   ALA  17          HB2       ALA  17   8.082   8.439 -14.064
  127   3HB   ALA  17          HB3       ALA  17   8.336   8.409 -12.304
  128    H    GLU  18           H        GLU  18   7.578  10.424 -10.688
  129    HA   GLU  18           HA       GLU  18   5.663   9.346  -8.905
  130   1HB   GLU  18          HB2       GLU  18   7.683   9.959  -7.957
  131   2HB   GLU  18          HB3       GLU  18   7.729  11.524  -8.780
  132   1HG   GLU  18          HG2       GLU  18   6.062  12.461  -7.311
  133   2HG   GLU  18          HG3       GLU  18   5.833  10.923  -6.496
  134    H    ALA  19           H        ALA  19   5.825  12.591 -10.397
  135    HA   ALA  19           HA       ALA  19   3.545  13.523  -8.969
  136   1HB   ALA  19          HB1       ALA  19   5.240  15.042  -9.960
  137   2HB   ALA  19          HB2       ALA  19   4.810  14.483 -11.592
  138   3HB   ALA  19          HB3       ALA  19   3.648  15.415 -10.637
  139    H    LEU  20           H        LEU  20   3.930  12.064 -12.165
  140    HA   LEU  20           HA       LEU  20   1.158  12.383 -12.891
  141   1HB   LEU  20          HB2       LEU  20   3.349  10.527 -13.913
  142   2HB   LEU  20          HB3       LEU  20   1.692  10.455 -14.512
  143    HG   LEU  20           HG       LEU  20   3.718  12.671 -14.914
  144   1HD1  LEU  20          HD11      LEU  20   3.719  10.683 -16.438
  145   2HD1  LEU  20          HD12      LEU  20   2.033  11.047 -16.838
  146   3HD1  LEU  20          HD13      LEU  20   3.304  12.205 -17.267
  147   1HD2  LEU  20          HD21      LEU  20   1.599  13.825 -14.452
  148   2HD2  LEU  20          HD22      LEU  20   1.975  13.874 -16.177
  149   3HD2  LEU  20          HD23      LEU  20   0.739  12.739 -15.572
  150    H    PHE  21           H        PHE  21   3.022   9.754 -11.317
  151    HA   PHE  21           HA       PHE  21   0.727   8.065 -11.423
  152   1HB   PHE  21          HB2       PHE  21   3.116   7.225 -11.235
  153   2HB   PHE  21          HB3       PHE  21   3.018   7.603  -9.509
  154    HD1  PHE  21           HD1      PHE  21   1.249   5.811 -12.295
  155    HD2  PHE  21           HD2      PHE  21   1.851   6.025  -8.036
  156    HE1  PHE  21           HE1      PHE  21  -0.146   3.811 -11.998
  157    HE2  PHE  21           HE2      PHE  21   0.511   3.960  -7.757
  158    HZ   PHE  21           HZ       PHE  21  -0.501   2.849  -9.737
  159    H    LYS  22           H        LYS  22   1.949  10.332  -8.952
  160    HA   LYS  22           HA       LYS  22   0.032   9.543  -6.980
  161   1HB   LYS  22          HB2       LYS  22   1.548  12.137  -7.479
  162   2HB   LYS  22          HB3       LYS  22   0.393  11.962  -6.146
  163   1HG   LYS  22          HG2       LYS  22   1.642  10.073  -5.205
  164   2HG   LYS  22          HG3       LYS  22   2.735  10.059  -6.575
  165   1HD   LYS  22          HD2       LYS  22   3.878  11.091  -4.728
  166   2HD   LYS  22          HD3       LYS  22   3.588  12.293  -5.977
  167   1HE   LYS  22          HE2       LYS  22   3.196  13.290  -3.822
  168   2HE   LYS  22          HE3       LYS  22   1.660  13.189  -4.686
  169   1HZ   LYS  22          HZ1       LYS  22   1.452  12.524  -2.373
  170   2HZ   LYS  22          HZ2       LYS  22   1.114  11.243  -3.318
  171   3HZ   LYS  22          HZ3       LYS  22   2.556  11.342  -2.540
  172    H    SER  23           H        SER  23  -0.113  11.954  -9.632
  173    HA   SER  23           HA       SER  23  -2.767  12.746  -9.016
  174   1HB   SER  23          HB2       SER  23  -1.400  12.714 -11.736
  175   2HB   SER  23          HB3       SER  23  -2.783  13.717 -11.247
  176    HG   SER  23           HG       SER  23  -0.089  13.809 -10.357
  177    H    ILE  24           H        ILE  24  -1.558  10.145 -11.115
  178    HA   ILE  24           HA       ILE  24  -4.088   9.359 -12.119
  179    HB   ILE  24           HB       ILE  24  -1.374   8.071 -12.034
  180   1HG1  ILE  24          HG12      ILE  24  -3.215   8.913 -14.333
  181   2HG1  ILE  24          HG13      ILE  24  -2.071  10.016 -13.587
  182   1HG2  ILE  24          HG21      ILE  24  -2.194   6.218 -13.447
  183   2HG2  ILE  24          HG22      ILE  24  -2.924   6.170 -11.852
  184   3HG2  ILE  24          HG23      ILE  24  -3.869   6.782 -13.227
  185   1HD1  ILE  24          HD11      ILE  24  -1.122   9.136 -15.628
  186   2HD1  ILE  24          HD12      ILE  24  -0.183   8.570 -14.238
  187   3HD1  ILE  24          HD13      ILE  24  -1.315   7.471 -15.073
  188    H    ALA  25           H        ALA  25  -2.239   8.342  -9.258
  189    HA   ALA  25           HA       ALA  25  -4.038   6.243  -8.595
  190   1HB   ALA  25          HB1       ALA  25  -2.920   6.299  -6.355
  191   2HB   ALA  25          HB2       ALA  25  -1.740   6.301  -7.682
  192   3HB   ALA  25          HB3       ALA  25  -2.108   7.809  -6.812
  193    H    GLU  26           H        GLU  26  -3.857   9.680  -7.702
  194    HA   GLU  26           HA       GLU  26  -5.954   9.586  -5.809
  195   1HB   GLU  26          HB2       GLU  26  -4.297  11.426  -6.017
  196   2HB   GLU  26          HB3       GLU  26  -5.032  11.920  -7.549
  197   1HG   GLU  26          HG2       GLU  26  -7.148  12.439  -6.383
  198   2HG   GLU  26          HG3       GLU  26  -6.472  11.851  -4.861
  199    H    ARG  27           H        ARG  27  -6.028  10.162  -9.345
  200    HA   ARG  27           HA       ARG  27  -8.880  10.625  -9.293
  201   1HB   ARG  27          HB2       ARG  27  -8.865  10.601 -11.670
  202   2HB   ARG  27          HB3       ARG  27  -7.490  11.540 -11.065
  203   1HG   ARG  27          HG2       ARG  27  -6.004   9.693 -11.547
  204   2HG   ARG  27          HG3       ARG  27  -7.320   8.718 -12.212
  205   1HD   ARG  27          HD2       ARG  27  -6.346  11.404 -13.268
  206   2HD   ARG  27          HD3       ARG  27  -5.897   9.817 -13.921
  207    HE   ARG  27           HE       ARG  27  -8.678   9.850 -13.948
  208   1HH1  ARG  27          HH21      ARG  27  -6.096  11.753 -15.471
  209   2HH1  ARG  27          HH22      ARG  27  -7.022  12.156 -16.868
  210   1HH2  ARG  27          HH11      ARG  27  -9.921  10.400 -15.804
  211   2HH2  ARG  27          HH12      ARG  27  -9.244  11.365 -17.059
  212    H    GLU  28           H        GLU  28  -6.880   7.777  -9.780
  213    HA   GLU  28           HA       GLU  28  -9.075   6.012 -10.469
  214   1HB   GLU  28          HB2       GLU  28  -6.191   5.577  -9.597
  215   2HB   GLU  28          HB3       GLU  28  -7.276   4.226  -9.807
  216   1HG   GLU  28          HG2       GLU  28  -6.613   6.253 -11.983
  217   2HG   GLU  28          HG3       GLU  28  -5.909   4.646 -11.821
  218    H    GLY  29           H        GLY  29  -7.813   7.172  -7.399
  219   1HA   GLY  29          HA2       GLY  29  -8.676   6.852  -5.274
  220   2HA   GLY  29          HA3       GLY  29  -9.849   5.673  -5.891
  221    H    LEU  30           H        LEU  30  -6.396   5.482  -6.667
  222    HA   LEU  30           HA       LEU  30  -6.092   2.875  -5.316
  223   1HB   LEU  30          HB2       LEU  30  -4.596   4.504  -7.334
  224   2HB   LEU  30          HB3       LEU  30  -3.573   3.628  -6.213
  225    HG   LEU  30           HG       LEU  30  -5.852   2.246  -7.681
  226   1HD1  LEU  30          HD11      LEU  30  -2.978   2.506  -8.652
  227   2HD1  LEU  30          HD12      LEU  30  -4.255   1.482  -9.375
  228   3HD1  LEU  30          HD13      LEU  30  -4.410   3.247  -9.394
  229   1HD2  LEU  30          HD21      LEU  30  -3.259   1.200  -6.443
  230   2HD2  LEU  30          HD22      LEU  30  -4.887   1.017  -5.757
  231   3HD2  LEU  30          HD23      LEU  30  -4.478   0.216  -7.275
  232    H    ASN  31           H        ASN  31  -4.212   2.658  -3.807
  233    HA   ASN  31           HA       ASN  31  -3.602   5.124  -2.256
  234   1HB   ASN  31          HB2       ASN  31  -5.369   3.977  -1.000
  235   2HB   ASN  31          HB3       ASN  31  -4.492   2.445  -1.107
  236   1HD2  ASN  31          HD22      ASN  31  -4.238   5.811   0.191
  237   2HD2  ASN  31          HD21      ASN  31  -3.132   5.400   1.472
  238    H    VAL  32           H        VAL  32  -1.472   5.365  -2.346
  239    HA   VAL  32           HA       VAL  32   0.373   3.089  -2.172
  240    HB   VAL  32           HB       VAL  32   1.634   3.904  -4.152
  241   1HG1  VAL  32          HG11      VAL  32  -0.009   2.002  -4.355
  242   2HG1  VAL  32          HG12      VAL  32  -1.168   3.156  -5.053
  243   3HG1  VAL  32          HG13      VAL  32   0.392   2.847  -5.850
  244   1HG2  VAL  32          HG21      VAL  32   0.669   5.351  -5.834
  245   2HG2  VAL  32          HG22      VAL  32  -0.827   5.548  -4.901
  246   3HG2  VAL  32          HG23      VAL  32   0.707   6.236  -4.310
  247    H    ASN  33           H        ASN  33   2.640   3.972  -2.010
  248    HA   ASN  33           HA       ASN  33   2.855   6.861  -1.496
  249   1HB   ASN  33          HB2       ASN  33   3.301   5.633   0.690
  250   2HB   ASN  33          HB3       ASN  33   4.519   4.670  -0.166
  251   1HD2  ASN  33          HD22      ASN  33   6.446   5.399   0.726
  252   2HD2  ASN  33          HD21      ASN  33   6.938   7.091   0.733
  253    H    VAL  34           H        VAL  34   4.702   7.670  -2.678
  254    HA   VAL  34           HA       VAL  34   6.319   5.687  -4.013
  255    HB   VAL  34           HB       VAL  34   6.142   6.534  -6.229
  256   1HG1  VAL  34          HG11      VAL  34   3.923   5.919  -6.916
  257   2HG1  VAL  34          HG12      VAL  34   4.336   4.882  -5.553
  258   3HG1  VAL  34          HG13      VAL  34   3.244   6.249  -5.312
  259   1HG2  VAL  34          HG21      VAL  34   4.532   8.301  -6.893
  260   2HG2  VAL  34          HG22      VAL  34   4.163   8.590  -5.177
  261   3HG2  VAL  34          HG23      VAL  34   5.799   8.891  -5.809
  262    H    ARG  35           H        ARG  35   8.311   6.528  -4.808
  263    HA   ARG  35           HA       ARG  35   9.149   9.195  -3.842
  264   1HB   ARG  35          HB2       ARG  35  10.531   6.504  -3.332
  265   2HB   ARG  35          HB3       ARG  35  11.383   8.030  -3.277
  266   1HG   ARG  35          HG2       ARG  35  10.987   8.009  -1.128
  267   2HG   ARG  35          HG3       ARG  35   9.407   8.667  -1.544
  268   1HD   ARG  35          HD2       ARG  35   8.367   6.486  -1.286
  269   2HD   ARG  35          HD3       ARG  35   9.947   5.680  -1.254
  270    HE   ARG  35           HE       ARG  35   9.518   7.709   0.822
  271   1HH1  ARG  35          HH21      ARG  35   9.157   4.233   0.159
  272   2HH1  ARG  35          HH22      ARG  35   9.671   3.757   1.729
  273   1HH2  ARG  35          HH11      ARG  35  10.028   7.065   2.949
  274   2HH2  ARG  35          HH12      ARG  35  10.101   5.403   3.376
  275    H    SER  36           H        SER  36  11.278   9.736  -4.832
  276    HA   SER  36           HA       SER  36  11.774   8.530  -7.483
  277   1HB   SER  36          HB2       SER  36  11.738  11.489  -6.730
  278   2HB   SER  36          HB3       SER  36  12.200  10.835  -8.304
  279    HG   SER  36           HG       SER  36   9.673  10.783  -7.021
  280    H    ALA  37           H        ALA  37  13.963   8.133  -7.778
  281    HA   ALA  37           HA       ALA  37  15.941   9.539  -6.130
  282   1HB   ALA  37          HB1       ALA  37  16.929   7.462  -5.301
  283   2HB   ALA  37          HB2       ALA  37  15.251   7.552  -4.767
  284   3HB   ALA  37          HB3       ALA  37  15.681   6.497  -6.134
  285    H    GLY  38           H        GLY  38  18.180   8.559  -6.789
  286   1HA   GLY  38          HA2       GLY  38  18.222   7.533  -9.526
  287   2HA   GLY  38          HA3       GLY  38  19.126   9.016  -9.250
  288    H    VAL  39           H        VAL  39  20.082   6.202  -9.900
  289    HA   VAL  39           HA       VAL  39  21.348   5.150  -7.542
  290    HB   VAL  39           HB       VAL  39  22.908   4.034  -9.259
  291   1HG1  VAL  39          HG11      VAL  39  21.172   2.443  -9.960
  292   2HG1  VAL  39          HG12      VAL  39  21.006   2.875  -8.246
  293   3HG1  VAL  39          HG13      VAL  39  19.902   3.578  -9.454
  294   1HG2  VAL  39          HG21      VAL  39  20.828   4.928 -11.279
  295   2HG2  VAL  39          HG22      VAL  39  22.449   5.663 -11.137
  296   3HG2  VAL  39          HG23      VAL  39  22.270   3.949 -11.553
  297    H    PHE  40           H        PHE  40  22.197   7.863  -9.600
  298    HA   PHE  40           HA       PHE  40  24.577   8.371  -7.901
  299   1HB   PHE  40          HB2       PHE  40  24.449   8.463 -10.943
  300   2HB   PHE  40          HB3       PHE  40  25.751   9.159  -9.990
  301    HD1  PHE  40           HD1      PHE  40  27.083   7.652  -8.390
  302    HD2  PHE  40           HD2      PHE  40  24.576   6.116 -11.549
  303    HE1  PHE  40           HE1      PHE  40  28.309   5.496  -8.322
  304    HE2  PHE  40           HE2      PHE  40  25.819   3.974 -11.488
  305    HZ   PHE  40           HZ       PHE  40  27.677   3.650  -9.869
  306    H    ALA  41           H        ALA  41  21.782   9.363  -7.858
  307    HA   ALA  41           HA       ALA  41  21.908  12.195  -8.636
  308   1HB   ALA  41          HB1       ALA  41  19.982  10.614  -6.871
  309   2HB   ALA  41          HB2       ALA  41  19.781  12.307  -7.361
  310   3HB   ALA  41          HB3       ALA  41  19.749  11.037  -8.585
  311    H    SER  42           H        SER  42  21.417  13.747  -6.711
  312    HA   SER  42           HA       SER  42  23.035  13.112  -4.332
  313   1HB   SER  42          HB2       SER  42  23.311  15.652  -5.985
  314   2HB   SER  42          HB3       SER  42  24.184  15.272  -4.491
  315    HG   SER  42           HG       SER  42  25.421  14.843  -6.378
  316    HA   PRO  43           HA       PRO  43  19.584  14.813  -2.221
  317   1HB   PRO  43          HB2       PRO  43  21.583  16.116  -0.375
  318   2HB   PRO  43          HB3       PRO  43  20.085  15.210   0.033
  319   1HG   PRO  43          HG2       PRO  43  22.412  13.898   0.158
  320   2HG   PRO  43          HG3       PRO  43  21.050  13.146  -0.764
  321   1HD   PRO  43          HD2       PRO  43  23.349  14.799  -1.877
  322   2HD   PRO  43          HD3       PRO  43  22.804  13.163  -2.345
  323    H    ASN  44           H        ASN  44  21.413  17.017  -3.965
  324    HA   ASN  44           HA       ASN  44  19.404  19.117  -3.532
  325   1HB   ASN  44          HB2       ASN  44  21.318  19.657  -2.008
  326   2HB   ASN  44          HB3       ASN  44  22.375  19.739  -3.424
  327   1HD2  ASN  44          HD22      ASN  44  22.845  21.975  -3.475
  328   2HD2  ASN  44          HD21      ASN  44  21.626  23.218  -3.561
  329    H    GLY  45           H        GLY  45  20.013  17.118  -5.625
  330   1HA   GLY  45          HA2       GLY  45  20.353  18.874  -8.007
  331   2HA   GLY  45          HA3       GLY  45  19.915  17.153  -8.002
  332    H    LYS  46           H        LYS  46  18.230  19.171  -9.318
  333    HA   LYS  46           HA       LYS  46  15.771  18.625  -7.880
  334   1HB   LYS  46          HB2       LYS  46  15.034  20.947  -7.637
  335   2HB   LYS  46          HB3       LYS  46  16.460  20.623  -6.666
  336   1HG   LYS  46          HG2       LYS  46  17.882  21.756  -8.374
  337   2HG   LYS  46          HG3       LYS  46  16.439  22.059  -9.364
  338   1HD   LYS  46          HD2       LYS  46  15.454  23.390  -7.505
  339   2HD   LYS  46          HD3       LYS  46  16.923  23.111  -6.541
  340   1HE   LYS  46          HE2       LYS  46  18.281  24.213  -8.308
  341   2HE   LYS  46          HE3       LYS  46  16.819  24.483  -9.266
  342   1HZ   LYS  46          HZ1       LYS  46  15.991  25.905  -7.481
  343   2HZ   LYS  46          HZ2       LYS  46  17.342  25.654  -6.593
  344   3HZ   LYS  46          HZ3       LYS  46  17.431  26.450  -8.011
  345    H    ALA  47           H        ALA  47  13.886  19.416  -9.018
  346    HA   ALA  47           HA       ALA  47  13.709  18.277 -11.489
  347   1HB   ALA  47          HB1       ALA  47  12.002  20.589 -10.477
  348   2HB   ALA  47          HB2       ALA  47  11.530  19.360 -11.675
  349   3HB   ALA  47          HB3       ALA  47  11.835  18.885  -9.986
  350    H    THR  48           H        THR  48  13.697  18.901 -13.669
  351    HA   THR  48           HA       THR  48  15.512  21.045 -14.301
  352    HB   THR  48           HB       THR  48  15.413  20.213 -16.538
  353    HG1  THR  48           HG1      THR  48  13.853  18.672 -17.141
  354   1HG2  THR  48          HG21      THR  48  16.426  18.662 -14.786
  355   2HG2  THR  48          HG22      THR  48  14.907  17.731 -14.863
  356   3HG2  THR  48          HG23      THR  48  15.924  17.897 -16.307
  357    HA   PRO  49           HA       PRO  49  12.541  24.231 -15.022
  358   1HB   PRO  49          HB2       PRO  49  13.508  25.636 -17.188
  359   2HB   PRO  49          HB3       PRO  49  14.256  25.661 -15.563
  360   1HG   PRO  49          HG2       PRO  49  15.022  23.934 -17.940
  361   2HG   PRO  49          HG3       PRO  49  16.096  24.936 -16.908
  362   1HD   PRO  49          HD2       PRO  49  15.811  22.287 -16.477
  363   2HD   PRO  49          HD3       PRO  49  15.918  23.416 -15.097
  364    H    HIS  50           H        HIS  50  12.709  21.586 -17.120
  365    HA   HIS  50           HA       HIS  50  10.379  22.549 -18.671
  366   1HB   HIS  50          HB2       HIS  50  12.599  20.681 -19.507
  367   2HB   HIS  50          HB3       HIS  50  11.125  20.956 -20.437
  368    HD1  HIS  50           HD1      HIS  50  14.138  21.651 -21.513
  369    HD2  HIS  50           HD2      HIS  50  11.215  24.280 -19.977
  370    HE1  HIS  50           HE1      HIS  50  14.724  23.965 -22.371
  371    H    ALA  51           H        ALA  51  11.765  19.746 -16.904
  372    HA   ALA  51           HA       ALA  51   9.425  18.133 -17.179
  373   1HB   ALA  51          HB1       ALA  51  10.212  17.071 -15.047
  374   2HB   ALA  51          HB2       ALA  51  11.519  17.209 -16.230
  375   3HB   ALA  51          HB3       ALA  51  11.432  18.345 -14.875
  376    H    VAL  52           H        VAL  52  10.449  20.550 -14.774
  377    HA   VAL  52           HA       VAL  52   8.133  20.296 -13.199
  378    HB   VAL  52           HB       VAL  52  10.511  21.322 -12.797
  379   1HG1  VAL  52          HG11      VAL  52   9.061  23.911 -13.327
  380   2HG1  VAL  52          HG12      VAL  52  10.714  23.685 -12.709
  381   3HG1  VAL  52          HG13      VAL  52  10.337  23.206 -14.367
  382   1HG2  VAL  52          HG21      VAL  52   9.688  22.547 -10.813
  383   2HG2  VAL  52          HG22      VAL  52   8.027  22.401 -11.452
  384   3HG2  VAL  52          HG23      VAL  52   8.979  20.945 -11.039
  385    H    GLU  53           H        GLU  53   8.903  22.357 -15.947
  386    HA   GLU  53           HA       GLU  53   6.550  23.926 -15.749
  387   1HB   GLU  53          HB2       GLU  53   8.565  24.674 -16.902
  388   2HB   GLU  53          HB3       GLU  53   8.370  23.418 -18.135
  389   1HG   GLU  53          HG2       GLU  53   6.338  24.461 -18.961
  390   2HG   GLU  53          HG3       GLU  53   6.288  25.570 -17.588
  391    H    ALA  54           H        ALA  54   7.282  20.902 -17.504
  392    HA   ALA  54           HA       ALA  54   4.838  20.754 -18.937
  393   1HB   ALA  54          HB1       ALA  54   6.790  19.322 -19.462
  394   2HB   ALA  54          HB2       ALA  54   6.601  18.486 -17.905
  395   3HB   ALA  54          HB3       ALA  54   5.343  18.346 -19.150
  396    H    LEU  55           H        LEU  55   5.767  19.570 -15.702
  397    HA   LEU  55           HA       LEU  55   3.043  18.568 -15.239
  398   1HB   LEU  55          HB2       LEU  55   5.522  18.844 -13.562
  399   2HB   LEU  55          HB3       LEU  55   3.978  18.440 -12.809
  400    HG   LEU  55           HG       LEU  55   5.396  16.469 -13.195
  401   1HD1  LEU  55          HD11      LEU  55   3.753  14.983 -14.127
  402   2HD1  LEU  55          HD12      LEU  55   2.987  16.164 -13.061
  403   3HD1  LEU  55          HD13      LEU  55   2.856  16.339 -14.836
  404   1HD2  LEU  55          HD21      LEU  55   6.508  17.046 -15.310
  405   2HD2  LEU  55          HD22      LEU  55   5.726  15.470 -15.385
  406   3HD2  LEU  55          HD23      LEU  55   4.968  16.859 -16.180
  407    H    PHE  56           H        PHE  56   4.583  21.713 -14.815
  408    HA   PHE  56           HA       PHE  56   2.472  22.686 -13.093
  409   1HB   PHE  56          HB2       PHE  56   4.883  23.765 -14.058
  410   2HB   PHE  56          HB3       PHE  56   3.665  24.723 -14.857
  411    HD1  PHE  56           HD1      PHE  56   5.740  24.735 -12.127
  412    HD2  PHE  56           HD2      PHE  56   1.550  25.252 -13.038
  413    HE1  PHE  56           HE1      PHE  56   5.441  26.062 -10.051
  414    HE2  PHE  56           HE2      PHE  56   1.251  26.521 -10.942
  415    HZ   PHE  56           HZ       PHE  56   3.197  26.948  -9.445
  416    H    GLU  57           H        GLU  57   2.962  22.523 -16.661
  417    HA   GLU  57           HA       GLU  57   0.529  23.828 -17.346
  418   1HB   GLU  57          HB2       GLU  57   2.470  23.299 -18.880
  419   2HB   GLU  57          HB3       GLU  57   1.970  21.611 -18.865
  420   1HG   GLU  57          HG2       GLU  57   1.143  22.594 -20.870
  421   2HG   GLU  57          HG3       GLU  57  -0.241  22.280 -19.836
  422    H    LYS  58           H        LYS  58   1.271  20.361 -16.649
  423    HA   LYS  58           HA       LYS  58  -1.478  19.521 -16.851
  424   1HB   LYS  58          HB2       LYS  58   0.625  18.102 -16.932
  425   2HB   LYS  58          HB3       LYS  58   0.683  18.201 -15.171
  426   1HG   LYS  58          HG2       LYS  58  -1.369  16.990 -14.925
  427   2HG   LYS  58          HG3       LYS  58  -1.838  17.243 -16.602
  428   1HD   LYS  58          HD2       LYS  58   0.590  15.620 -15.781
  429   2HD   LYS  58          HD3       LYS  58  -1.000  14.890 -16.000
  430   1HE   LYS  58          HE2       LYS  58   0.482  16.484 -18.137
  431   2HE   LYS  58          HE3       LYS  58   0.552  14.727 -17.986
  432   1HZ   LYS  58          HZ1       LYS  58  -1.174  15.787 -19.575
  433   2HZ   LYS  58          HZ2       LYS  58  -1.587  14.488 -18.688
  434   3HZ   LYS  58          HZ3       LYS  58  -2.091  16.001 -18.241
  435    H    HIS  59           H        HIS  59   0.002  21.496 -14.545
  436    HA   HIS  59           HA       HIS  59  -0.682  22.519 -12.721
  437   1HB   HIS  59          HB2       HIS  59  -2.813  22.742 -14.038
  438   2HB   HIS  59          HB3       HIS  59  -3.473  21.411 -13.084
  439    HD1  HIS  59           HD1      HIS  59  -4.784  22.314 -10.997
  440    HD2  HIS  59           HD2      HIS  59  -1.653  24.811 -12.303
  441    HE1  HIS  59           HE1      HIS  59  -4.829  24.365  -9.488
  442    H    ILE  60           H        ILE  60   0.762  20.407 -12.380
  443    HA   ILE  60           HA       ILE  60  -0.164  19.240  -9.798
  444    HB   ILE  60           HB       ILE  60   1.750  18.057 -11.837
  445   1HG1  ILE  60          HG12      ILE  60  -0.977  16.953 -11.019
  446   2HG1  ILE  60          HG13      ILE  60  -0.768  17.967 -12.438
  447   1HG2  ILE  60          HG21      ILE  60   2.420  17.365  -9.593
  448   2HG2  ILE  60          HG22      ILE  60   0.733  17.060  -9.124
  449   3HG2  ILE  60          HG23      ILE  60   1.539  16.002 -10.271
  450   1HD1  ILE  60          HD11      ILE  60   0.670  15.306 -12.096
  451   2HD1  ILE  60          HD12      ILE  60  -0.799  15.592 -13.031
  452   3HD1  ILE  60          HD13      ILE  60   0.711  16.394 -13.495
  453    H    ALA  61           H        ALA  61   2.262  21.093 -11.546
  454    HA   ALA  61           HA       ALA  61   4.074  22.272 -10.913
  455   1HB   ALA  61          HB1       ALA  61   2.532  22.546  -8.309
  456   2HB   ALA  61          HB2       ALA  61   3.812  23.622  -8.900
  457   3HB   ALA  61          HB3       ALA  61   2.279  23.507  -9.782
  458    H    LEU  62           H        LEU  62   4.961  20.005 -11.061
  459    HA   LEU  62           HA       LEU  62   5.549  18.096  -9.401
  460   1HB   LEU  62          HB2       LEU  62   6.198  18.170 -11.655
  461   2HB   LEU  62          HB3       LEU  62   7.384  19.428 -11.408
  462    HG   LEU  62           HG       LEU  62   7.596  16.522 -10.485
  463   1HD1  LEU  62          HD11      LEU  62   7.687  16.863 -12.964
  464   2HD1  LEU  62          HD12      LEU  62   8.999  18.038 -12.741
  465   3HD1  LEU  62          HD13      LEU  62   9.238  16.329 -12.316
  466   1HD2  LEU  62          HD21      LEU  62   9.042  17.674  -9.021
  467   2HD2  LEU  62          HD22      LEU  62  10.114  17.246 -10.348
  468   3HD2  LEU  62          HD23      LEU  62   9.484  18.888 -10.242
  469    H    ASN  63           H        ASN  63   7.728  20.935  -9.389
  470    HA   ASN  63           HA       ASN  63   9.589  21.376  -8.094
  471   1HB   ASN  63          HB2       ASN  63   7.160  21.703  -6.316
  472   2HB   ASN  63          HB3       ASN  63   8.761  22.303  -5.892
  473   1HD2  ASN  63          HD22      ASN  63   6.021  22.747  -8.051
  474   2HD2  ASN  63          HD21      ASN  63   6.591  24.247  -8.781
  475    H    HIS  64           H        HIS  64  10.989  19.640  -7.854
  476    HA   HIS  64           HA       HIS  64  10.794  18.065  -5.335
  477   1HB   HIS  64          HB2       HIS  64   9.877  16.697  -7.154
  478   2HB   HIS  64          HB3       HIS  64  11.294  17.041  -8.162
  479    HD1  HIS  64           HD1      HIS  64  10.292  14.888  -5.126
  480    HD2  HIS  64           HD2      HIS  64  13.458  15.610  -7.806
  481    HE1  HIS  64           HE1      HIS  64  11.972  13.010  -4.778
  482    H    VAL  65           H        VAL  65  12.792  17.357  -4.543
  483    HA   VAL  65           HA       VAL  65  15.301  18.382  -5.767
  484    HB   VAL  65           HB       VAL  65  14.567  18.430  -2.809
  485   1HG1  VAL  65          HG11      VAL  65  16.990  17.971  -3.272
  486   2HG1  VAL  65          HG12      VAL  65  17.065  19.484  -4.204
  487   3HG1  VAL  65          HG13      VAL  65  16.719  19.521  -2.465
  488   1HG2  VAL  65          HG21      VAL  65  14.808  20.904  -3.008
  489   2HG2  VAL  65          HG22      VAL  65  14.952  20.737  -4.768
  490   3HG2  VAL  65          HG23      VAL  65  13.441  20.292  -3.944
  491    H    SER  66           H        SER  66  16.625  16.745  -6.085
  492    HA   SER  66           HA       SER  66  15.867  14.053  -5.858
  493   1HB   SER  66          HB2       SER  66  18.589  15.322  -6.360
  494   2HB   SER  66          HB3       SER  66  18.082  13.699  -6.865
  495    HG   SER  66           HG       SER  66  17.961  15.446  -8.477
  496    H    SER  67           H        SER  67  17.350  12.321  -5.065
  497    HA   SER  67           HA       SER  67  19.250  12.749  -2.962
  498   1HB   SER  67          HB2       SER  67  16.566  11.410  -2.360
  499   2HB   SER  67          HB3       SER  67  18.020  11.171  -1.374
  500    HG   SER  67           HG       SER  67  17.216  13.786  -1.977
  501    HA   PRO  68           HA       PRO  68  20.439   9.033  -5.137
  502   1HB   PRO  68          HB2       PRO  68  22.104   7.745  -3.390
  503   2HB   PRO  68          HB3       PRO  68  22.544   9.278  -4.194
  504   1HG   PRO  68          HG2       PRO  68  21.397   8.902  -1.411
  505   2HG   PRO  68          HG3       PRO  68  22.806   9.897  -1.902
  506   1HD   PRO  68          HD2       PRO  68  20.323  10.971  -1.548
  507   2HD   PRO  68          HD3       PRO  68  21.417  11.559  -2.838
  508    H    LEU  69           H        LEU  69  19.996   6.770  -5.268
  509    HA   LEU  69           HA       LEU  69  17.960   5.698  -3.397
  510   1HB   LEU  69          HB2       LEU  69  17.666   5.267  -5.800
  511   2HB   LEU  69          HB3       LEU  69  19.272   4.562  -5.913
  512    HG   LEU  69           HG       LEU  69  18.646   2.643  -4.659
  513   1HD1  LEU  69          HD11      LEU  69  17.241   3.476  -2.857
  514   2HD1  LEU  69          HD12      LEU  69  16.031   4.063  -4.019
  515   3HD1  LEU  69          HD13      LEU  69  16.287   2.322  -3.773
  516   1HD2  LEU  69          HD21      LEU  69  17.925   2.707  -7.009
  517   2HD2  LEU  69          HD22      LEU  69  16.873   1.682  -6.023
  518   3HD2  LEU  69          HD23      LEU  69  16.326   3.303  -6.505
  519    H    THR  70           H        THR  70  18.697   4.947  -1.505
  520    HA   THR  70           HA       THR  70  21.219   3.428  -1.411
  521    HB   THR  70           HB       THR  70  21.343   4.495   0.971
  522    HG1  THR  70           HG1      THR  70  20.424   6.512   1.120
  523   1HG2  THR  70          HG21      THR  70  21.941   6.136  -1.529
  524   2HG2  THR  70          HG22      THR  70  22.700   6.337   0.068
  525   3HG2  THR  70          HG23      THR  70  22.961   4.847  -0.857
  526    H    GLU  71           H        GLU  71  21.295   2.112   0.688
  527    HA   GLU  71           HA       GLU  71  19.418   0.220  -0.093
  528   1HB   GLU  71          HB2       GLU  71  21.785  -0.138   0.715
  529   2HB   GLU  71          HB3       GLU  71  21.208   0.081   2.372
  530   1HG   GLU  71          HG2       GLU  71  19.710  -1.882   2.100
  531   2HG   GLU  71          HG3       GLU  71  20.214  -2.048   0.416
  532    H    GLU  72           H        GLU  72  19.414   2.322   2.755
  533    HA   GLU  72           HA       GLU  72  17.364   0.926   4.145
  534   1HB   GLU  72          HB2       GLU  72  17.128   3.004   5.463
  535   2HB   GLU  72          HB3       GLU  72  18.804   2.474   5.308
  536   1HG   GLU  72          HG2       GLU  72  19.159   4.190   3.515
  537   2HG   GLU  72          HG3       GLU  72  17.499   4.745   3.744
  538    H    LEU  73           H        LEU  73  17.235   3.410   1.614
  539    HA   LEU  73           HA       LEU  73  14.395   3.805   1.837
  540   1HB   LEU  73          HB2       LEU  73  15.882   5.483   0.770
  541   2HB   LEU  73          HB3       LEU  73  16.295   4.308  -0.486
  542    HG   LEU  73           HG       LEU  73  13.963   4.272  -1.249
  543   1HD1  LEU  73          HD11      LEU  73  12.349   5.982  -0.525
  544   2HD1  LEU  73          HD12      LEU  73  12.706   4.818   0.746
  545   3HD1  LEU  73          HD13      LEU  73  13.440   6.443   0.805
  546   1HD2  LEU  73          HD21      LEU  73  15.586   5.820  -2.271
  547   2HD2  LEU  73          HD22      LEU  73  13.942   6.465  -2.317
  548   3HD2  LEU  73          HD23      LEU  73  15.105   7.083  -1.119
  549    H    MET  74           H        MET  74  16.553   1.777  -0.109
  550    HA   MET  74           HA       MET  74  14.622   0.472  -1.696
  551   1HB   MET  74          HB2       MET  74  16.750   0.153  -2.443
  552   2HB   MET  74          HB3       MET  74  17.427  -0.047  -0.841
  553   1HG   MET  74          HG2       MET  74  17.641  -2.107  -2.021
  554   2HG   MET  74          HG3       MET  74  16.549  -2.302  -0.665
  555   1HE   MET  74          HE1       MET  74  16.363  -1.203  -4.504
  556   2HE   MET  74          HE2       MET  74  17.137  -2.803  -4.406
  557   3HE   MET  74          HE3       MET  74  15.541  -2.639  -5.161
  558    H    GLU  75           H        GLU  75  15.859  -0.364   1.554
  559    HA   GLU  75           HA       GLU  75  14.259  -2.740   1.832
  560   1HB   GLU  75          HB2       GLU  75  15.719  -0.955   3.813
  561   2HB   GLU  75          HB3       GLU  75  14.751  -2.340   4.328
  562   1HG   GLU  75          HG2       GLU  75  16.088  -3.837   2.868
  563   2HG   GLU  75          HG3       GLU  75  17.137  -2.493   2.438
  564    H    SER  76           H        SER  76  13.676   0.701   2.603
  565    HA   SER  76           HA       SER  76  11.268   0.247   4.096
  566   1HB   SER  76          HB2       SER  76  12.188   2.720   2.569
  567   2HB   SER  76          HB3       SER  76  10.913   2.654   3.800
  568    HG   SER  76           HG       SER  76  13.695   2.155   4.117
  569    H    ALA  77           H        ALA  77  11.889   0.719   0.579
  570    HA   ALA  77           HA       ALA  77   9.031   0.941   0.027
  571   1HB   ALA  77          HB1       ALA  77   9.681   1.177  -2.284
  572   2HB   ALA  77          HB2       ALA  77  10.695   2.195  -1.261
  573   3HB   ALA  77          HB3       ALA  77  11.343   0.653  -1.913
  574    H    ASP  78           H        ASP  78   8.209  -0.461  -1.933
  575    HA   ASP  78           HA       ASP  78   8.752  -3.320  -1.344
  576   1HB   ASP  78          HB2       ASP  78   6.694  -2.319  -0.214
  577   2HB   ASP  78          HB3       ASP  78   6.010  -2.126  -1.831
  578    H    LEU  79           H        LEU  79   8.367  -0.892  -3.774
  579    HA   LEU  79           HA       LEU  79   8.943  -2.919  -5.831
  580   1HB   LEU  79          HB2       LEU  79   6.462  -2.234  -5.914
  581   2HB   LEU  79          HB3       LEU  79   7.003  -0.590  -6.168
  582    HG   LEU  79           HG       LEU  79   8.159  -1.336  -8.291
  583   1HD1  LEU  79          HD11      LEU  79   8.412  -3.751  -7.826
  584   2HD1  LEU  79          HD12      LEU  79   6.644  -3.933  -7.744
  585   3HD1  LEU  79          HD13      LEU  79   7.429  -3.507  -9.276
  586   1HD2  LEU  79          HD21      LEU  79   5.197  -2.007  -8.305
  587   2HD2  LEU  79          HD22      LEU  79   5.832  -0.352  -8.280
  588   3HD2  LEU  79          HD23      LEU  79   6.186  -1.418  -9.645
  589    H    VAL  80           H        VAL  80  10.439  -2.111  -7.347
  590    HA   VAL  80           HA       VAL  80  11.180   0.751  -7.168
  591    HB   VAL  80           HB       VAL  80  13.118  -1.593  -7.354
  592   1HG1  VAL  80          HG11      VAL  80  13.651   1.402  -7.128
  593   2HG1  VAL  80          HG12      VAL  80  14.877   0.119  -7.133
  594   3HG1  VAL  80          HG13      VAL  80  13.905   0.413  -8.579
  595   1HG2  VAL  80          HG21      VAL  80  13.941  -0.697  -5.110
  596   2HG2  VAL  80          HG22      VAL  80  12.427   0.229  -5.035
  597   3HG2  VAL  80          HG23      VAL  80  12.392  -1.543  -5.082
  598    H    LEU  81           H        LEU  81  11.380   1.667  -9.187
  599    HA   LEU  81           HA       LEU  81  10.830  -0.089 -11.492
  600   1HB   LEU  81          HB2       LEU  81   8.885   1.324 -10.138
  601   2HB   LEU  81          HB3       LEU  81   9.317   2.448 -11.423
  602    HG   LEU  81           HG       LEU  81   8.579  -0.502 -11.898
  603   1HD1  LEU  81          HD11      LEU  81   6.668   0.713 -10.949
  604   2HD1  LEU  81          HD12      LEU  81   6.922   2.040 -12.097
  605   3HD1  LEU  81          HD13      LEU  81   6.408   0.437 -12.678
  606   1HD2  LEU  81          HD21      LEU  81   8.909   1.849 -13.770
  607   2HD2  LEU  81          HD22      LEU  81   9.942   0.402 -13.677
  608   3HD2  LEU  81          HD23      LEU  81   8.261   0.244 -14.204
  609    H    ALA  82           H        ALA  82  12.620   0.154 -12.644
  610    HA   ALA  82           HA       ALA  82  14.149   2.664 -12.439
  611   1HB   ALA  82          HB1       ALA  82  16.069   1.273 -12.950
  612   2HB   ALA  82          HB2       ALA  82  15.160   0.492 -11.653
  613   3HB   ALA  82          HB3       ALA  82  15.031  -0.121 -13.319
  614    H    MET  83           H        MET  83  14.571   3.863 -14.226
  615    HA   MET  83           HA       MET  83  12.938   3.591 -16.471
  616   1HB   MET  83          HB2       MET  83  15.565   5.102 -16.387
  617   2HB   MET  83          HB3       MET  83  14.289   5.298 -17.570
  618   1HG   MET  83          HG2       MET  83  14.264   6.064 -14.658
  619   2HG   MET  83          HG3       MET  83  14.101   7.076 -16.086
  620   1HE   MET  83          HE1       MET  83  12.301   6.637 -13.155
  621   2HE   MET  83          HE2       MET  83  10.711   5.911 -13.503
  622   3HE   MET  83          HE3       MET  83  12.161   4.877 -13.435
  623    H    THR  84           H        THR  84  16.291   2.237 -16.145
  624    HA   THR  84           HA       THR  84  15.833   0.911 -18.751
  625    HB   THR  84           HB       THR  84  18.078   1.340 -19.435
  626    HG1  THR  84           HG1      THR  84  19.425   2.674 -18.081
  627   1HG2  THR  84          HG21      THR  84  16.462   3.228 -19.840
  628   2HG2  THR  84          HG22      THR  84  17.086   4.020 -18.374
  629   3HG2  THR  84          HG23      THR  84  18.158   3.725 -19.755
  630    H    HIS  85           H        HIS  85  17.118  -1.066 -19.047
  631    HA   HIS  85           HA       HIS  85  17.141  -2.650 -16.680
  632   1HB   HIS  85          HB2       HIS  85  16.784  -3.619 -18.921
  633   2HB   HIS  85          HB3       HIS  85  18.447  -3.213 -19.370
  634    HD1  HIS  85           HD1      HIS  85  19.884  -5.403 -19.221
  635    HD2  HIS  85           HD2      HIS  85  16.915  -5.077 -16.258
  636    HE1  HIS  85           HE1      HIS  85  20.130  -7.449 -17.730
  637    H    GLN  86           H        GLN  86  19.586  -0.679 -18.338
  638    HA   GLN  86           HA       GLN  86  21.834  -1.632 -16.911
  639   1HB   GLN  86          HB2       GLN  86  21.898  -0.126 -18.935
  640   2HB   GLN  86          HB3       GLN  86  21.320   1.199 -17.923
  641   1HG   GLN  86          HG2       GLN  86  23.714   1.388 -18.196
  642   2HG   GLN  86          HG3       GLN  86  23.371   1.006 -16.513
  643   1HE2  GLN  86          HE22      GLN  86  24.335  -0.523 -19.654
  644   2HE2  GLN  86          HE21      GLN  86  25.266  -1.808 -18.929
  645    H    HIS  87           H        HIS  87  19.439   0.923 -16.097
  646    HA   HIS  87           HA       HIS  87  20.627   1.593 -13.588
  647   1HB   HIS  87          HB2       HIS  87  17.701   1.659 -14.362
  648   2HB   HIS  87          HB3       HIS  87  18.400   2.421 -12.940
  649    HD1  HIS  87           HD1      HIS  87  20.833   3.388 -15.439
  650    HD2  HIS  87           HD2      HIS  87  16.805   4.252 -14.649
  651    HE1  HIS  87           HE1      HIS  87  20.334   5.604 -16.593
  652    H    LYS  88           H        LYS  88  18.186  -0.870 -14.477
  653    HA   LYS  88           HA       LYS  88  17.757  -1.816 -11.834
  654   1HB   LYS  88          HB2       LYS  88  16.224  -2.362 -13.604
  655   2HB   LYS  88          HB3       LYS  88  17.466  -3.233 -14.501
  656   1HG   LYS  88          HG2       LYS  88  17.510  -5.038 -12.972
  657   2HG   LYS  88          HG3       LYS  88  16.617  -4.146 -11.729
  658   1HD   LYS  88          HD2       LYS  88  14.571  -4.232 -13.004
  659   2HD   LYS  88          HD3       LYS  88  15.402  -4.782 -14.462
  660   1HE   LYS  88          HE2       LYS  88  15.888  -6.932 -13.513
  661   2HE   LYS  88          HE3       LYS  88  15.350  -6.426 -11.902
  662   1HZ   LYS  88          HZ1       LYS  88  13.739  -7.797 -13.242
  663   2HZ   LYS  88          HZ2       LYS  88  13.148  -6.440 -12.564
  664   3HZ   LYS  88          HZ3       LYS  88  13.461  -6.496 -14.192
  665    H    GLN  89           H        GLN  89  20.251  -2.756 -14.189
  666    HA   GLN  89           HA       GLN  89  21.350  -4.767 -12.454
  667   1HB   GLN  89          HB2       GLN  89  22.552  -3.299 -14.847
  668   2HB   GLN  89          HB3       GLN  89  23.341  -4.638 -14.015
  669   1HG   GLN  89          HG2       GLN  89  20.665  -4.830 -15.464
  670   2HG   GLN  89          HG3       GLN  89  22.216  -5.355 -16.095
  671   1HE2  GLN  89          HE22      GLN  89  23.140  -7.349 -15.289
  672   2HE2  GLN  89          HE21      GLN  89  22.222  -8.422 -14.265
  673    H    ILE  90           H        ILE  90  22.039  -1.295 -12.849
  674    HA   ILE  90           HA       ILE  90  24.315  -1.341 -11.133
  675    HB   ILE  90           HB       ILE  90  22.348   0.898 -11.749
  676   1HG1  ILE  90          HG12      ILE  90  25.254   0.664 -12.647
  677   2HG1  ILE  90          HG13      ILE  90  23.964  -0.062 -13.581
  678   1HG2  ILE  90          HG21      ILE  90  24.056   2.449 -10.768
  679   2HG2  ILE  90          HG22      ILE  90  23.396   1.367  -9.555
  680   3HG2  ILE  90          HG23      ILE  90  25.003   1.049 -10.236
  681   1HD1  ILE  90          HD11      ILE  90  22.847   2.156 -13.798
  682   2HD1  ILE  90          HD12      ILE  90  24.206   2.907 -12.942
  683   3HD1  ILE  90          HD13      ILE  90  24.475   2.118 -14.502
  684    H    ILE  91           H        ILE  91  20.840  -0.830 -10.461
  685    HA   ILE  91           HA       ILE  91  21.040  -0.497  -7.666
  686    HB   ILE  91           HB       ILE  91  18.831  -1.731  -9.355
  687   1HG1  ILE  91          HG12      ILE  91  18.966   1.027  -8.066
  688   2HG1  ILE  91          HG13      ILE  91  19.527   0.738  -9.694
  689   1HG2  ILE  91          HG21      ILE  91  17.304  -1.328  -7.442
  690   2HG2  ILE  91          HG22      ILE  91  18.554  -2.481  -7.001
  691   3HG2  ILE  91          HG23      ILE  91  18.677  -0.790  -6.460
  692   1HD1  ILE  91          HD11      ILE  91  17.268  -0.106 -10.342
  693   2HD1  ILE  91          HD12      ILE  91  16.671   0.369  -8.739
  694   3HD1  ILE  91          HD13      ILE  91  17.311   1.594  -9.852
  695    H    ALA  92           H        ALA  92  20.668  -3.429  -9.602
  696    HA   ALA  92           HA       ALA  92  20.672  -5.247  -7.435
  697   1HB   ALA  92          HB1       ALA  92  21.328  -5.709 -10.387
  698   2HB   ALA  92          HB2       ALA  92  20.854  -6.956  -9.231
  699   3HB   ALA  92          HB3       ALA  92  19.689  -5.698  -9.697
  700    H    SER  93           H        SER  93  23.306  -3.496  -8.632
  701    HA   SER  93           HA       SER  93  25.180  -5.551  -7.580
  702   1HB   SER  93          HB2       SER  93  25.675  -3.331  -9.602
  703   2HB   SER  93          HB3       SER  93  26.817  -4.615  -9.138
  704    HG   SER  93           HG       SER  93  24.444  -4.721 -10.651
  705    H    GLN  94           H        GLN  94  24.009  -2.255  -7.151
  706    HA   GLN  94           HA       GLN  94  26.249  -1.590  -5.365
  707   1HB   GLN  94          HB2       GLN  94  25.067   0.421  -4.787
  708   2HB   GLN  94          HB3       GLN  94  25.265   0.270  -6.529
  709   1HG   GLN  94          HG2       GLN  94  22.945  -0.180  -6.844
  710   2HG   GLN  94          HG3       GLN  94  22.663  -0.453  -5.131
  711   1HE2  GLN  94          HE22      GLN  94  21.374   1.129  -4.390
  712   2HE2  GLN  94          HE21      GLN  94  21.610   2.839  -4.621
  713    H    PHE  95           H        PHE  95  22.868  -2.791  -5.129
  714    HA   PHE  95           HA       PHE  95  23.206  -3.093  -2.187
  715   1HB   PHE  95          HB2       PHE  95  20.866  -3.712  -4.013
  716   2HB   PHE  95          HB3       PHE  95  20.849  -3.715  -2.251
  717    HD1  PHE  95           HD1      PHE  95  19.206  -2.126  -4.456
  718    HD2  PHE  95           HD2      PHE  95  22.386  -1.063  -1.741
  719    HE1  PHE  95           HE1      PHE  95  18.307   0.185  -4.277
  720    HE2  PHE  95           HE2      PHE  95  21.559   1.215  -1.651
  721    HZ   PHE  95           HZ       PHE  95  19.433   1.837  -2.800
  722    H    GLY  96           H        GLY  96  23.763  -4.908  -5.026
  723   1HA   GLY  96          HA2       GLY  96  24.143  -7.208  -5.349
  724   2HA   GLY  96          HA3       GLY  96  23.628  -7.545  -3.688
  725    H    ARG  97           H        ARG  97  22.439  -9.138  -5.136
  726    HA   ARG  97           HA       ARG  97  20.306  -8.395  -6.841
  727   1HB   ARG  97          HB2       ARG  97  21.472 -10.939  -5.777
  728   2HB   ARG  97          HB3       ARG  97  19.846 -11.053  -6.410
  729   1HG   ARG  97          HG2       ARG  97  21.600 -11.601  -8.060
  730   2HG   ARG  97          HG3       ARG  97  20.440 -10.378  -8.579
  731   1HD   ARG  97          HD2       ARG  97  22.028  -8.608  -8.251
  732   2HD   ARG  97          HD3       ARG  97  23.218  -9.712  -7.527
  733    HE   ARG  97           HE       ARG  97  22.729 -10.782 -10.015
  734   1HH1  ARG  97          HH21      ARG  97  23.773  -7.581  -8.891
  735   2HH1  ARG  97          HH22      ARG  97  24.720  -7.212 -10.279
  736   1HH2  ARG  97          HH11      ARG  97  24.008 -10.331 -11.889
  737   2HH2  ARG  97          HH12      ARG  97  24.868  -8.843 -12.020
  738    H    TYR  98           H        TYR  98  19.726  -6.974  -4.647
  739    HA   TYR  98           HA       TYR  98  17.101  -7.764  -3.634
  740   1HB   TYR  98          HB2       TYR  98  18.497  -5.114  -4.176
  741   2HB   TYR  98          HB3       TYR  98  16.811  -5.192  -3.721
  742    HD1  TYR  98           HD1      TYR  98  20.207  -6.262  -2.491
  743    HD2  TYR  98           HD2      TYR  98  16.151  -5.194  -1.485
  744    HE1  TYR  98           HE1      TYR  98  20.828  -6.190  -0.105
  745    HE2  TYR  98           HE2      TYR  98  16.762  -5.114   0.911
  746    HH   TYR  98           HH       TYR  98  20.093  -5.799   2.078
  747    H    ARG  99           H        ARG  99  18.340  -7.484  -6.727
  748    HA   ARG  99           HA       ARG  99  16.811  -6.171  -8.445
  749   1HB   ARG  99          HB2       ARG  99  18.754  -7.776  -8.806
  750   2HB   ARG  99          HB3       ARG  99  17.594  -9.096  -8.817
  751   1HG   ARG  99          HG2       ARG  99  16.508  -8.174 -10.816
  752   2HG   ARG  99          HG3       ARG  99  17.542  -6.729 -10.747
  753   1HD   ARG  99          HD2       ARG  99  19.547  -8.107 -11.088
  754   2HD   ARG  99          HD3       ARG  99  18.580  -9.582 -11.100
  755    HE   ARG  99           HE       ARG  99  18.981  -7.649 -13.231
  756   1HH1  ARG  99          HH11      ARG  99  16.931 -10.348 -12.143
  757   2HH1  ARG  99          HH12      ARG  99  16.286 -10.670 -13.706
  758   1HH2  ARG  99          HH21      ARG  99  18.036  -8.011 -15.306
  759   2HH2  ARG  99          HH22      ARG  99  16.963  -9.340 -15.540
  760    H    ASP 100           H        ASP 100  15.593  -9.052  -6.730
  761    HA   ASP 100           HA       ASP 100  13.386  -9.695  -8.329
  762   1HB   ASP 100          HB2       ASP 100  14.139 -11.050  -6.442
  763   2HB   ASP 100          HB3       ASP 100  13.689  -9.773  -5.308
  764    H    LYS 101           H        LYS 101  13.701  -6.984  -5.972
  765    HA   LYS 101           HA       LYS 101  10.839  -6.356  -6.219
  766   1HB   LYS 101          HB2       LYS 101  13.047  -4.727  -4.890
  767   2HB   LYS 101          HB3       LYS 101  11.300  -4.460  -4.775
  768   1HG   LYS 101          HG2       LYS 101  11.233  -6.939  -3.890
  769   2HG   LYS 101          HG3       LYS 101  12.956  -6.682  -3.578
  770   1HD   LYS 101          HD2       LYS 101  10.603  -5.096  -2.449
  771   2HD   LYS 101          HD3       LYS 101  11.631  -6.239  -1.574
  772   1HE   LYS 101          HE2       LYS 101  13.599  -4.730  -2.006
  773   2HE   LYS 101          HE3       LYS 101  12.509  -3.567  -2.766
  774   1HZ   LYS 101          HZ1       LYS 101  11.338  -3.370  -0.623
  775   2HZ   LYS 101          HZ2       LYS 101  12.393  -4.429   0.069
  776   3HZ   LYS 101          HZ3       LYS 101  12.888  -2.963  -0.503
  777    H    VAL 102           H        VAL 102  13.468  -5.827  -8.290
  778    HA   VAL 102           HA       VAL 102  12.630  -3.089  -8.968
  779    HB   VAL 102           HB       VAL 102  15.023  -4.579 -10.081
  780   1HG1  VAL 102          HG11      VAL 102  15.872  -2.246 -10.439
  781   2HG1  VAL 102          HG12      VAL 102  14.359  -2.530 -11.303
  782   3HG1  VAL 102          HG13      VAL 102  14.354  -1.608  -9.792
  783   1HG2  VAL 102          HG21      VAL 102  16.491  -3.526  -8.517
  784   2HG2  VAL 102          HG22      VAL 102  15.143  -2.731  -7.668
  785   3HG2  VAL 102          HG23      VAL 102  15.331  -4.496  -7.594
  786    H    PHE 103           H        PHE 103  11.676  -2.669 -10.946
  787    HA   PHE 103           HA       PHE 103  11.739  -4.755 -13.044
  788   1HB   PHE 103          HB2       PHE 103   9.321  -3.133 -12.168
  789   2HB   PHE 103          HB3       PHE 103   9.456  -4.002 -13.696
  790    HD1  PHE 103           HD1      PHE 103   9.488  -4.527  -9.978
  791    HD2  PHE 103           HD2      PHE 103   8.919  -6.303 -13.869
  792    HE1  PHE 103           HE1      PHE 103   8.639  -6.597  -8.910
  793    HE2  PHE 103           HE2      PHE 103   8.067  -8.370 -12.795
  794    HZ   PHE 103           HZ       PHE 103   7.925  -8.523 -10.316
  795    H    THR 104           H        THR 104  12.011  -3.901 -15.069
  796    HA   THR 104           HA       THR 104  13.004  -1.171 -15.211
  797    HB   THR 104           HB       THR 104  12.410  -2.863 -17.645
  798    HG1  THR 104           HG1      THR 104  13.474  -4.284 -16.125
  799   1HG2  THR 104          HG21      THR 104  14.641  -1.008 -16.815
  800   2HG2  THR 104          HG22      THR 104  14.589  -1.894 -18.367
  801   3HG2  THR 104          HG23      THR 104  13.375  -0.653 -18.007
  802    H    LEU 105           H        LEU 105  12.038   0.483 -16.537
  803    HA   LEU 105           HA       LEU 105   9.430   0.938 -15.902
  804   1HB   LEU 105          HB2       LEU 105  11.035   2.661 -16.468
  805   2HB   LEU 105          HB3       LEU 105  10.950   2.207 -18.182
  806    HG   LEU 105           HG       LEU 105   8.535   2.804 -18.179
  807   1HD1  LEU 105          HD11      LEU 105   7.865   2.500 -15.844
  808   2HD1  LEU 105          HD12      LEU 105   9.076   3.690 -15.302
  809   3HD1  LEU 105          HD13      LEU 105   7.664   4.204 -16.235
  810   1HD2  LEU 105          HD21      LEU 105  10.334   5.007 -17.165
  811   2HD2  LEU 105          HD22      LEU 105  10.227   4.453 -18.835
  812   3HD2  LEU 105          HD23      LEU 105   8.831   5.238 -18.059
  813    H    LYS 106           H        LYS 106  10.468  -0.178 -19.203
  814    HA   LYS 106           HA       LYS 106   7.644  -0.620 -19.866
  815   1HB   LYS 106          HB2       LYS 106  10.197  -1.455 -21.275
  816   2HB   LYS 106          HB3       LYS 106   8.595  -1.806 -21.888
  817   1HG   LYS 106          HG2       LYS 106   9.498   1.047 -21.304
  818   2HG   LYS 106          HG3       LYS 106   9.744   0.258 -22.865
  819   1HD   LYS 106          HD2       LYS 106   7.372   0.011 -23.237
  820   2HD   LYS 106          HD3       LYS 106   6.996   0.500 -21.592
  821   1HE   LYS 106          HE2       LYS 106   6.472   2.323 -23.034
  822   2HE   LYS 106          HE3       LYS 106   7.842   2.782 -22.025
  823   1HZ   LYS 106          HZ1       LYS 106   9.289   2.553 -23.896
  824   2HZ   LYS 106          HZ2       LYS 106   8.111   1.856 -24.829
  825   3HZ   LYS 106          HZ3       LYS 106   7.992   3.429 -24.382
  826    H    GLU 107           H        GLU 107  10.286  -2.656 -18.577
  827    HA   GLU 107           HA       GLU 107   9.202  -5.169 -19.041
  828   1HB   GLU 107          HB2       GLU 107  11.444  -4.772 -18.132
  829   2HB   GLU 107          HB3       GLU 107  10.726  -4.186 -16.625
  830   1HG   GLU 107          HG2       GLU 107   9.783  -6.483 -16.246
  831   2HG   GLU 107          HG3       GLU 107  10.669  -7.025 -17.678
  832    H    TYR 108           H        TYR 108   8.424  -2.958 -16.324
  833    HA   TYR 108           HA       TYR 108   6.747  -4.738 -14.894
  834   1HB   TYR 108          HB2       TYR 108   7.759  -2.580 -14.072
  835   2HB   TYR 108          HB3       TYR 108   6.624  -1.700 -15.067
  836    HD1  TYR 108           HD1      TYR 108   4.531  -1.096 -14.176
  837    HD2  TYR 108           HD2      TYR 108   6.761  -4.263 -12.295
  838    HE1  TYR 108           HE1      TYR 108   2.834  -1.212 -12.365
  839    HE2  TYR 108           HE2      TYR 108   5.103  -4.351 -10.460
  840    HH   TYR 108           HH       TYR 108   2.227  -2.190 -10.378
  841    H    VAL 109           H        VAL 109   6.116  -3.172 -17.915
  842    HA   VAL 109           HA       VAL 109   3.159  -3.374 -17.541
  843    HB   VAL 109           HB       VAL 109   4.774  -1.429 -19.244
  844   1HG1  VAL 109          HG11      VAL 109   2.489  -1.696 -20.082
  845   2HG1  VAL 109          HG12      VAL 109   1.840  -1.498 -18.439
  846   3HG1  VAL 109          HG13      VAL 109   2.627  -0.134 -19.266
  847   1HG2  VAL 109          HG21      VAL 109   5.277  -0.911 -16.933
  848   2HG2  VAL 109          HG22      VAL 109   4.097   0.250 -17.502
  849   3HG2  VAL 109          HG23      VAL 109   3.565  -1.100 -16.472
  850    H    THR 110           H        THR 110   5.728  -3.505 -20.136
  851    HA   THR 110           HA       THR 110   3.813  -4.798 -21.942
  852    HB   THR 110           HB       THR 110   5.590  -4.449 -23.587
  853    HG1  THR 110           HG1      THR 110   7.554  -3.627 -22.972
  854   1HG2  THR 110          HG21      THR 110   5.697  -2.023 -23.598
  855   2HG2  THR 110          HG22      THR 110   4.109  -2.485 -22.967
  856   3HG2  THR 110          HG23      THR 110   5.375  -1.922 -21.856
  857    H    GLY 111           H        GLY 111   6.223  -5.733 -19.650
  858   1HA   GLY 111          HA2       GLY 111   6.857  -7.865 -19.016
  859   2HA   GLY 111          HA3       GLY 111   6.118  -8.550 -20.469
  860    H    SER 112           H        SER 112   8.154  -5.844 -21.257
  861    HA   SER 112           HA       SER 112  10.513  -7.578 -21.737
  862   1HB   SER 112          HB2       SER 112   9.180  -5.714 -23.748
  863   2HB   SER 112          HB3       SER 112  10.650  -6.668 -24.015
  864    HG   SER 112           HG       SER 112   8.772  -7.670 -24.880
  865    H    HIS 113           H        HIS 113  12.489  -6.496 -21.576
  866    HA   HIS 113           HA       HIS 113  12.601  -4.112 -20.050
  867   1HB   HIS 113          HB2       HIS 113  14.734  -5.412 -21.793
  868   2HB   HIS 113          HB3       HIS 113  15.024  -4.127 -20.627
  869    HD1  HIS 113           HD1      HIS 113  14.466  -4.858 -17.931
  870    HD2  HIS 113           HD2      HIS 113  14.834  -7.870 -20.863
  871    HE1  HIS 113           HE1      HIS 113  14.802  -7.042 -16.683
  872    H    GLY 114           H        GLY 114  12.934  -1.963 -20.602
  873   1HA   GLY 114          HA2       GLY 114  13.727  -0.785 -22.951
  874   2HA   GLY 114          HA3       GLY 114  11.985  -1.071 -23.155
  875    H    ASP 115           H        ASP 115  12.512   1.481 -23.154
  876    HA   ASP 115           HA       ASP 115  11.909   2.553 -20.478
  877   1HB   ASP 115          HB2       ASP 115  14.381   2.684 -20.949
  878   2HB   ASP 115          HB3       ASP 115  14.018   3.644 -22.380
  879    H    VAL 116           H        VAL 116  11.272   4.911 -20.748
  880    HA   VAL 116           HA       VAL 116   9.424   5.345 -23.040
  881    HB   VAL 116           HB       VAL 116   9.863   6.528 -20.275
  882   1HG1  VAL 116          HG11      VAL 116   7.988   8.077 -20.584
  883   2HG1  VAL 116          HG12      VAL 116   9.374   8.505 -21.576
  884   3HG1  VAL 116          HG13      VAL 116   7.966   7.725 -22.314
  885   1HG2  VAL 116          HG21      VAL 116   7.457   5.247 -21.651
  886   2HG2  VAL 116          HG22      VAL 116   8.502   4.469 -20.459
  887   3HG2  VAL 116          HG23      VAL 116   7.492   5.838 -19.979
  888    H    LEU 117           H        LEU 117   9.572   7.664 -23.964
  889    HA   LEU 117           HA       LEU 117  11.973   8.398 -25.133
  890   1HB   LEU 117          HB2       LEU 117   9.488   9.226 -25.397
  891   2HB   LEU 117          HB3       LEU 117   9.879  10.363 -24.131
  892    HG   LEU 117           HG       LEU 117   9.968  11.436 -26.249
  893   1HD1  LEU 117          HD11      LEU 117  12.063  12.484 -26.313
  894   2HD1  LEU 117          HD12      LEU 117  11.790  12.068 -24.616
  895   3HD1  LEU 117          HD13      LEU 117  12.907  11.101 -25.611
  896   1HD2  LEU 117          HD21      LEU 117  11.402  10.774 -28.105
  897   2HD2  LEU 117          HD22      LEU 117  12.031   9.395 -27.184
  898   3HD2  LEU 117          HD23      LEU 117  10.323   9.444 -27.666
  899    H    ASP 118           H        ASP 118  13.809   9.437 -24.375
  900    HA   ASP 118           HA       ASP 118  13.932  10.285 -21.531
  901   1HB   ASP 118          HB2       ASP 118  15.629   8.725 -22.033
  902   2HB   ASP 118          HB3       ASP 118  16.082   9.578 -23.515
  903    HA   PRO 119           HA       PRO 119  13.839  14.334 -23.593
  904   1HB   PRO 119          HB2       PRO 119  12.620  15.813 -21.697
  905   2HB   PRO 119          HB3       PRO 119  11.725  14.552 -22.568
  906   1HG   PRO 119          HG2       PRO 119  13.099  14.317 -19.858
  907   2HG   PRO 119          HG3       PRO 119  11.404  13.902 -20.259
  908   1HD   PRO 119          HD2       PRO 119  13.435  12.044 -20.247
  909   2HD   PRO 119          HD3       PRO 119  12.082  11.953 -21.413
  910    H    PHE 120           H        PHE 120  15.822  13.301 -20.977
  911    HA   PHE 120           HA       PHE 120  16.366  15.731 -19.707
  912   1HB   PHE 120          HB2       PHE 120  16.928  13.447 -18.887
  913   2HB   PHE 120          HB3       PHE 120  18.267  13.388 -20.029
  914    HD1  PHE 120           HD1      PHE 120  16.854  15.552 -17.265
  915    HD2  PHE 120           HD2      PHE 120  20.398  14.115 -19.276
  916    HE1  PHE 120           HE1      PHE 120  18.273  16.663 -15.568
  917    HE2  PHE 120           HE2      PHE 120  21.810  15.239 -17.573
  918    HZ   PHE 120           HZ       PHE 120  20.751  16.512 -15.714
  919    H    GLY 121           H        GLY 121  17.199  17.555 -20.465
  920   1HA   GLY 121          HA2       GLY 121  18.954  18.874 -21.334
  921   2HA   GLY 121          HA3       GLY 121  19.442  17.559 -22.405
  922    H    GLY 122           H        GLY 122  16.124  17.561 -22.737
  923   1HA   GLY 122          HA2       GLY 122  16.254  18.971 -25.296
  924   2HA   GLY 122          HA3       GLY 122  14.957  17.958 -24.660
  925    H    SER 123           H        SER 123  14.023  20.060 -25.870
  926    HA   SER 123           HA       SER 123  13.626  22.379 -24.143
  927   1HB   SER 123          HB2       SER 123  12.062  22.975 -26.063
  928   2HB   SER 123          HB3       SER 123  13.769  22.789 -26.490
  929    HG   SER 123           HG       SER 123  12.438  21.710 -27.974
  930    H    ILE 124           H        ILE 124  11.221  22.973 -23.820
  931    HA   ILE 124           HA       ILE 124   9.878  21.143 -22.193
  932    HB   ILE 124           HB       ILE 124   9.457  23.481 -22.035
  933   1HG1  ILE 124          HG12      ILE 124   7.014  23.660 -22.051
  934   2HG1  ILE 124          HG13      ILE 124   6.873  22.230 -23.066
  935   1HG2  ILE 124          HG21      ILE 124   8.274  24.824 -23.715
  936   2HG2  ILE 124          HG22      ILE 124   9.795  24.225 -24.361
  937   3HG2  ILE 124          HG23      ILE 124   8.263  23.456 -24.838
  938   1HD1  ILE 124          HD11      ILE 124   8.014  22.274 -20.238
  939   2HD1  ILE 124          HD12      ILE 124   6.369  21.777 -20.693
  940   3HD1  ILE 124          HD13      ILE 124   7.750  20.822 -21.233
  941    H    ASP 125           H        ASP 125   9.675  21.549 -25.699
  942    HA   ASP 125           HA       ASP 125   7.346  20.000 -26.113
  943   1HB   ASP 125          HB2       ASP 125   8.374  21.387 -27.873
  944   2HB   ASP 125          HB3       ASP 125   9.757  20.286 -27.939
  945    H    ILE 126           H        ILE 126  10.714  19.004 -25.574
  946    HA   ILE 126           HA       ILE 126  10.212  16.256 -26.380
  947    HB   ILE 126           HB       ILE 126  12.523  17.164 -24.658
  948   1HG1  ILE 126          HG12      ILE 126  12.579  18.712 -26.510
  949   2HG1  ILE 126          HG13      ILE 126  13.854  17.532 -26.703
  950   1HG2  ILE 126          HG21      ILE 126  12.218  14.937 -26.731
  951   2HG2  ILE 126          HG22      ILE 126  13.675  15.282 -25.773
  952   3HG2  ILE 126          HG23      ILE 126  12.187  14.727 -24.984
  953   1HD1  ILE 126          HD11      ILE 126  11.214  17.510 -28.236
  954   2HD1  ILE 126          HD12      ILE 126  12.772  18.087 -28.842
  955   3HD1  ILE 126          HD13      ILE 126  12.563  16.372 -28.463
  956    H    TYR 127           H        TYR 127  10.191  18.077 -23.323
  957    HA   TYR 127           HA       TYR 127   9.681  15.744 -21.695
  958   1HB   TYR 127          HB2       TYR 127   9.286  18.702 -21.158
  959   2HB   TYR 127          HB3       TYR 127   8.843  17.452 -20.008
  960    HD1  TYR 127           HD1      TYR 127  11.706  18.927 -21.831
  961    HD2  TYR 127           HD2      TYR 127  10.501  16.302 -18.673
  962    HE1  TYR 127           HE1      TYR 127  14.039  18.904 -20.999
  963    HE2  TYR 127           HE2      TYR 127  12.831  16.241 -17.821
  964    HH   TYR 127           HH       TYR 127  15.421  18.273 -19.238
  965    H    LYS 128           H        LYS 128   7.671  18.045 -23.493
  966    HA   LYS 128           HA       LYS 128   5.184  17.074 -22.488
  967   1HB   LYS 128          HB2       LYS 128   5.489  19.285 -23.456
  968   2HB   LYS 128          HB3       LYS 128   5.858  18.607 -25.032
  969   1HG   LYS 128          HG2       LYS 128   3.200  17.939 -23.746
  970   2HG   LYS 128          HG3       LYS 128   3.460  19.563 -24.391
  971   1HD   LYS 128          HD2       LYS 128   4.070  18.640 -26.591
  972   2HD   LYS 128          HD3       LYS 128   3.762  16.993 -26.000
  973   1HE   LYS 128          HE2       LYS 128   1.404  17.611 -25.511
  974   2HE   LYS 128          HE3       LYS 128   1.713  19.256 -26.078
  975   1HZ   LYS 128          HZ1       LYS 128   2.165  18.345 -28.282
  976   2HZ   LYS 128          HZ2       LYS 128   1.877  16.820 -27.762
  977   3HZ   LYS 128          HZ3       LYS 128   0.674  17.919 -27.790
  978    H    GLN 129           H        GLN 129   7.158  16.088 -25.289
  979    HA   GLN 129           HA       GLN 129   5.332  14.084 -26.205
  980   1HB   GLN 129          HB2       GLN 129   8.375  14.308 -26.400
  981   2HB   GLN 129          HB3       GLN 129   7.456  12.991 -27.120
  982   1HG   GLN 129          HG2       GLN 129   6.218  14.580 -28.545
  983   2HG   GLN 129          HG3       GLN 129   7.086  15.931 -27.829
  984   1HE2  GLN 129          HE22      GLN 129   8.688  16.686 -29.275
  985   2HE2  GLN 129          HE21      GLN 129   9.685  15.617 -30.237
  986    H    THR 130           H        THR 130   8.034  14.013 -23.895
  987    HA   THR 130           HA       THR 130   7.919  11.262 -23.298
  988    HB   THR 130           HB       THR 130   8.781  13.630 -21.567
  989    HG1  THR 130           HG1      THR 130   9.955  13.518 -23.434
  990   1HG2  THR 130          HG21      THR 130  10.175  12.003 -20.336
  991   2HG2  THR 130          HG22      THR 130   8.468  11.645 -20.141
  992   3HG2  THR 130          HG23      THR 130   9.442  10.683 -21.271
  993    H    ARG 131           H        ARG 131   6.249  14.000 -21.712
  994    HA   ARG 131           HA       ARG 131   5.240  12.267 -19.672
  995   1HB   ARG 131          HB2       ARG 131   3.940  14.068 -18.821
  996   2HB   ARG 131          HB3       ARG 131   5.534  14.644 -19.254
  997   1HG   ARG 131          HG2       ARG 131   4.597  16.298 -20.380
  998   2HG   ARG 131          HG3       ARG 131   3.996  15.141 -21.559
  999   1HD   ARG 131          HD2       ARG 131   2.527  16.007 -19.047
 1000   2HD   ARG 131          HD3       ARG 131   2.265  16.705 -20.636
 1001    HE   ARG 131           HE       ARG 131   1.401  14.031 -19.697
 1002   1HH1  ARG 131          HH11      ARG 131   1.985  15.895 -22.658
 1003   2HH1  ARG 131          HH12      ARG 131   0.644  15.200 -23.499
 1004   1HH2  ARG 131          HH22      ARG 131  -0.489  13.249 -20.775
 1005   2HH2  ARG 131          HH21      ARG 131  -0.521  13.431 -22.523
 1006    H    ASP 132           H        ASP 132   4.056  13.012 -22.915
 1007    HA   ASP 132           HA       ASP 132   1.436  11.991 -22.369
 1008   1HB   ASP 132          HB2       ASP 132   2.169  13.444 -24.379
 1009   2HB   ASP 132          HB3       ASP 132   2.740  11.940 -25.098
 1010    H    GLU 133           H        GLU 133   4.451  10.461 -23.475
 1011    HA   GLU 133           HA       GLU 133   3.202   7.873 -23.790
 1012   1HB   GLU 133          HB2       GLU 133   5.300   8.380 -24.963
 1013   2HB   GLU 133          HB3       GLU 133   6.120   8.719 -23.433
 1014   1HG   GLU 133          HG2       GLU 133   5.830   6.366 -22.731
 1015   2HG   GLU 133          HG3       GLU 133   4.933   6.017 -24.212
 1016    H    LEU 134           H        LEU 134   4.992   9.524 -21.235
 1017    HA   LEU 134           HA       LEU 134   5.161   7.358 -19.455
 1018   1HB   LEU 134          HB2       LEU 134   6.437   9.599 -19.427
 1019   2HB   LEU 134          HB3       LEU 134   4.986  10.305 -18.717
 1020    HG   LEU 134           HG       LEU 134   5.233   8.733 -16.768
 1021   1HD1  LEU 134          HD11      LEU 134   7.857   8.042 -18.165
 1022   2HD1  LEU 134          HD12      LEU 134   7.490   7.633 -16.477
 1023   3HD1  LEU 134          HD13      LEU 134   6.542   6.913 -17.786
 1024   1HD2  LEU 134          HD21      LEU 134   7.581  10.562 -17.442
 1025   2HD2  LEU 134          HD22      LEU 134   6.076  11.022 -16.631
 1026   3HD2  LEU 134          HD23      LEU 134   7.216   9.938 -15.822
 1027    H    GLU 135           H        GLU 135   2.645   9.868 -19.841
 1028    HA   GLU 135           HA       GLU 135   1.160   9.074 -17.559
 1029   1HB   GLU 135          HB2       GLU 135   0.955  11.250 -18.895
 1030   2HB   GLU 135          HB3       GLU 135   0.017  10.338 -20.086
 1031   1HG   GLU 135          HG2       GLU 135  -1.565   9.756 -18.163
 1032   2HG   GLU 135          HG3       GLU 135  -0.619  10.864 -17.149
 1033    H    GLU 136           H        GLU 136   1.043   7.998 -20.970
 1034    HA   GLU 136           HA       GLU 136  -1.307   6.411 -20.551
 1035   1HB   GLU 136          HB2       GLU 136  -0.708   7.142 -22.789
 1036   2HB   GLU 136          HB3       GLU 136   0.839   6.301 -22.698
 1037   1HG   GLU 136          HG2       GLU 136  -0.777   5.091 -24.089
 1038   2HG   GLU 136          HG3       GLU 136  -0.233   4.136 -22.720
 1039    H    LEU 137           H        LEU 137   2.176   5.751 -20.356
 1040    HA   LEU 137           HA       LEU 137   1.981   2.969 -19.826
 1041   1HB   LEU 137          HB2       LEU 137   4.071   4.334 -20.449
 1042   2HB   LEU 137          HB3       LEU 137   4.063   4.927 -18.786
 1043    HG   LEU 137           HG       LEU 137   3.956   2.375 -18.143
 1044   1HD1  LEU 137          HD11      LEU 137   5.167   2.232 -20.951
 1045   2HD1  LEU 137          HD12      LEU 137   5.115   0.901 -19.780
 1046   3HD1  LEU 137          HD13      LEU 137   3.614   1.533 -20.482
 1047   1HD2  LEU 137          HD21      LEU 137   6.357   2.240 -18.084
 1048   2HD2  LEU 137          HD22      LEU 137   6.501   3.566 -19.270
 1049   3HD2  LEU 137          HD23      LEU 137   5.825   3.870 -17.652
 1050    H    LEU 138           H        LEU 138   2.003   5.843 -17.680
 1051    HA   LEU 138           HA       LEU 138   1.946   4.286 -15.292
 1052   1HB   LEU 138          HB2       LEU 138   1.699   7.188 -15.962
 1053   2HB   LEU 138          HB3       LEU 138   1.068   6.653 -14.417
 1054    HG   LEU 138           HG       LEU 138   3.116   5.820 -13.646
 1055   1HD1  LEU 138          HD11      LEU 138   4.500   6.398 -16.292
 1056   2HD1  LEU 138          HD12      LEU 138   5.252   5.813 -14.804
 1057   3HD1  LEU 138          HD13      LEU 138   4.127   4.782 -15.681
 1058   1HD2  LEU 138          HD21      LEU 138   4.497   7.806 -13.643
 1059   2HD2  LEU 138          HD22      LEU 138   3.644   8.436 -15.075
 1060   3HD2  LEU 138          HD23      LEU 138   2.785   8.228 -13.532
 1061    H    ARG 139           H        ARG 139  -0.661   5.391 -17.403
 1062    HA   ARG 139           HA       ARG 139  -2.767   4.704 -15.547
 1063   1HB   ARG 139          HB2       ARG 139  -2.703   4.586 -18.584
 1064   2HB   ARG 139          HB3       ARG 139  -4.155   4.345 -17.621
 1065   1HG   ARG 139          HG2       ARG 139  -4.215   6.617 -16.882
 1066   2HG   ARG 139          HG3       ARG 139  -2.563   6.928 -17.418
 1067   1HD   ARG 139          HD2       ARG 139  -3.367   6.311 -19.777
 1068   2HD   ARG 139          HD3       ARG 139  -5.010   6.439 -19.138
 1069    HE   ARG 139           HE       ARG 139  -3.931   8.828 -18.412
 1070   1HH1  ARG 139          HH21      ARG 139  -3.777   7.157 -21.594
 1071   2HH1  ARG 139          HH22      ARG 139  -4.016   8.618 -22.479
 1072   1HH2  ARG 139          HH11      ARG 139  -3.868  10.768 -19.672
 1073   2HH2  ARG 139          HH12      ARG 139  -4.066  10.679 -21.389
 1074    H    GLN 140           H        GLN 140  -0.795   2.800 -17.846
 1075    HA   GLN 140           HA       GLN 140  -2.177   0.367 -17.219
 1076   1HB   GLN 140          HB2       GLN 140   0.605   0.665 -18.365
 1077   2HB   GLN 140          HB3       GLN 140  -0.378  -0.807 -18.310
 1078   1HG   GLN 140          HG2       GLN 140  -2.014   0.145 -19.833
 1079   2HG   GLN 140          HG3       GLN 140  -1.174   1.694 -19.845
 1080   1HE2  GLN 140          HE22      GLN 140  -0.868  -1.754 -20.824
 1081   2HE2  GLN 140          HE21      GLN 140   0.365  -1.470 -22.024
 1082    H    LEU 141           H        LEU 141   0.644   1.999 -15.727
 1083    HA   LEU 141           HA       LEU 141   1.250  -0.069 -13.870
 1084   1HB   LEU 141          HB2       LEU 141   1.493   2.944 -13.646
 1085   2HB   LEU 141          HB3       LEU 141   1.670   1.953 -12.221
 1086    HG   LEU 141           HG       LEU 141   3.557   0.769 -13.152
 1087   1HD1  LEU 141          HD11      LEU 141   4.672   1.421 -15.181
 1088   2HD1  LEU 141          HD12      LEU 141   3.008   0.946 -15.568
 1089   3HD1  LEU 141          HD13      LEU 141   3.446   2.657 -15.522
 1090   1HD2  LEU 141          HD21      LEU 141   3.723   3.793 -13.176
 1091   2HD2  LEU 141          HD22      LEU 141   4.023   2.701 -11.813
 1092   3HD2  LEU 141          HD23      LEU 141   5.131   2.730 -13.201
 1093    H    ALA 142           H        ALA 142  -1.230   2.494 -13.705
 1094    HA   ALA 142           HA       ALA 142  -2.243   1.758 -11.170
 1095   1HB   ALA 142          HB1       ALA 142  -3.766   3.043 -13.494
 1096   2HB   ALA 142          HB2       ALA 142  -4.257   3.017 -11.798
 1097   3HB   ALA 142          HB3       ALA 142  -2.795   3.900 -12.282
 1098    H    LYS 143           H        LYS 143  -3.106   0.618 -14.431
 1099    HA   LYS 143           HA       LYS 143  -5.123  -1.214 -13.602
 1100   1HB   LYS 143          HB2       LYS 143  -3.231  -1.415 -15.984
 1101   2HB   LYS 143          HB3       LYS 143  -4.613  -2.469 -15.708
 1102   1HG   LYS 143          HG2       LYS 143  -6.172  -0.613 -15.869
 1103   2HG   LYS 143          HG3       LYS 143  -4.849   0.551 -16.010
 1104   1HD   LYS 143          HD2       LYS 143  -4.108  -0.534 -18.131
 1105   2HD   LYS 143          HD3       LYS 143  -5.458  -1.684 -17.991
 1106   1HE   LYS 143          HE2       LYS 143  -7.066   0.232 -18.003
 1107   2HE   LYS 143          HE3       LYS 143  -5.716   1.354 -18.206
 1108   1HZ   LYS 143          HZ1       LYS 143  -5.241   0.280 -20.341
 1109   2HZ   LYS 143          HZ2       LYS 143  -6.491  -0.758 -20.141
 1110   3HZ   LYS 143          HZ3       LYS 143  -6.771   0.834 -20.314
 1111    H    GLN 144           H        GLN 144  -1.581  -1.681 -13.896
 1112    HA   GLN 144           HA       GLN 144  -1.601  -4.450 -13.281
 1113   1HB   GLN 144          HB2       GLN 144   0.532  -2.324 -12.851
 1114   2HB   GLN 144          HB3       GLN 144   0.812  -4.023 -12.525
 1115   1HG   GLN 144          HG2       GLN 144  -0.070  -3.047 -15.272
 1116   2HG   GLN 144          HG3       GLN 144   1.614  -3.115 -14.771
 1117   1HE2  GLN 144          HE22      GLN 144   2.691  -5.014 -15.263
 1118   2HE2  GLN 144          HE21      GLN 144   1.899  -6.540 -15.577
 1119    H    LEU 145           H        LEU 145  -1.410  -1.611 -11.073
 1120    HA   LEU 145           HA       LEU 145  -1.230  -3.234  -8.698
 1121   1HB   LEU 145          HB2       LEU 145  -2.296  -0.396  -9.042
 1122   2HB   LEU 145          HB3       LEU 145  -2.012  -1.196  -7.498
 1123    HG   LEU 145           HG       LEU 145   0.080  -0.390  -9.550
 1124   1HD1  LEU 145          HD11      LEU 145   0.846   1.106  -7.808
 1125   2HD1  LEU 145          HD12      LEU 145  -0.889   1.366  -8.035
 1126   3HD1  LEU 145          HD13      LEU 145  -0.319   0.433  -6.643
 1127   1HD2  LEU 145          HD21      LEU 145   0.813  -2.541  -8.584
 1128   2HD2  LEU 145          HD22      LEU 145   1.777  -1.211  -7.960
 1129   3HD2  LEU 145          HD23      LEU 145   0.496  -1.927  -6.948
 1130    H    LYS 146           H        LYS 146  -4.081  -1.627 -10.258
 1131    HA   LYS 146           HA       LYS 146  -5.914  -2.602  -8.316
 1132   1HB   LYS 146          HB2       LYS 146  -6.095  -1.371 -11.050
 1133   2HB   LYS 146          HB3       LYS 146  -7.513  -2.275 -10.487
 1134   1HG   LYS 146          HG2       LYS 146  -7.517  -0.916  -8.393
 1135   2HG   LYS 146          HG3       LYS 146  -6.164   0.035  -9.038
 1136   1HD   LYS 146          HD2       LYS 146  -7.558   0.761 -10.942
 1137   2HD   LYS 146          HD3       LYS 146  -8.897  -0.260 -10.368
 1138   1HE   LYS 146          HE2       LYS 146  -8.938   1.050  -8.230
 1139   2HE   LYS 146          HE3       LYS 146  -7.673   2.104  -8.879
 1140   1HZ   LYS 146          HZ1       LYS 146 -10.397   1.790 -10.000
 1141   2HZ   LYS 146          HZ2       LYS 146  -9.806   3.099  -9.200
 1142   3HZ   LYS 146          HZ3       LYS 146  -9.208   2.711 -10.677
 1143    H    LYS 147           H        LYS 147  -4.772  -4.149 -11.345
 1144    HA   LYS 147           HA       LYS 147  -6.698  -6.270 -11.284
 1145   1HB   LYS 147          HB2       LYS 147  -3.947  -6.002 -12.547
 1146   2HB   LYS 147          HB3       LYS 147  -4.924  -7.457 -12.724
 1147   1HG   LYS 147          HG2       LYS 147  -6.746  -6.193 -13.777
 1148   2HG   LYS 147          HG3       LYS 147  -5.824  -4.700 -13.658
 1149   1HD   LYS 147          HD2       LYS 147  -5.110  -7.183 -15.276
 1150   2HD   LYS 147          HD3       LYS 147  -5.640  -5.618 -15.909
 1151   1HE   LYS 147          HE2       LYS 147  -3.567  -4.563 -14.987
 1152   2HE   LYS 147          HE3       LYS 147  -3.038  -6.140 -14.393
 1153   1HZ   LYS 147          HZ1       LYS 147  -3.366  -5.395 -17.236
 1154   2HZ   LYS 147          HZ2       LYS 147  -1.966  -5.709 -16.436
 1155   3HZ   LYS 147          HZ3       LYS 147  -3.033  -6.910 -16.722
 1156    H    ASP 148           H        ASP 148  -3.299  -6.100 -10.002
 1157    HA   ASP 148           HA       ASP 148  -3.846  -8.720  -8.638
 1158   1HB   ASP 148          HB2       ASP 148  -2.890  -8.966 -10.939
 1159   2HB   ASP 148          HB3       ASP 148  -1.502  -8.013 -10.422
 1160    H    ARG 149           H        ARG 149  -2.501  -5.598  -8.136
 1161    HA   ARG 149           HA       ARG 149  -0.800  -4.771  -6.869
 1162   1HB   ARG 149          HB2       ARG 149  -2.473  -5.118  -5.222
 1163   2HB   ARG 149          HB3       ARG 149  -2.033  -6.800  -4.990
 1164   1HG   ARG 149          HG2       ARG 149  -1.404  -5.176  -3.177
 1165   2HG   ARG 149          HG3       ARG 149  -0.151  -6.278  -3.689
 1166   1HD   ARG 149          HD2       ARG 149  -0.158  -3.589  -5.034
 1167   2HD   ARG 149          HD3       ARG 149   0.185  -3.599  -3.314
 1168    HE   ARG 149           HE       ARG 149   1.842  -4.883  -5.436
 1169   1HH1  ARG 149          HH12      ARG 149   1.528  -4.249  -1.892
 1170   2HH1  ARG 149          HH11      ARG 149   3.268  -4.447  -1.707
 1171   1HH2  ARG 149          HH21      ARG 149   3.917  -5.260  -5.006
 1172   2HH2  ARG 149          HH22      ARG 149   4.580  -4.995  -3.363
 1173    H    ARG 150           H        ARG 150   0.545  -5.708  -8.596
 1174    HA   ARG 150           HA       ARG 150   2.145  -7.996  -8.431
 1175   1HB   ARG 150          HB2       ARG 150   3.136  -5.265  -9.327
 1176   2HB   ARG 150          HB3       ARG 150   3.738  -6.831  -9.835
 1177   1HG   ARG 150          HG2       ARG 150   1.068  -5.568 -10.565
 1178   2HG   ARG 150          HG3       ARG 150   2.472  -5.789 -11.613
 1179   1HD   ARG 150          HD2       ARG 150   2.240  -8.279 -11.342
 1180   2HD   ARG 150          HD3       ARG 150   0.764  -7.997 -10.403
 1181    HE   ARG 150           HE       ARG 150   0.620  -6.664 -12.937
 1182   1HH1  ARG 150          HH11      ARG 150   0.171  -9.877 -11.463
 1183   2HH1  ARG 150          HH12      ARG 150  -0.452 -10.584 -12.917
 1184   1HH2  ARG 150          HH21      ARG 150  -0.473  -7.513 -14.714
 1185   2HH2  ARG 150          HH22      ARG 150  -0.936  -9.187 -14.767
  Start of MODEL   17
    1   1H    MET   1           H1       MET   1   1.767   0.364   0.614
    2   2H    MET   1           H2       MET   1   1.870  -1.277   0.598
    3   3H    MET   1           H3       MET   1   3.131  -0.372   1.126
    4    HA   MET   1           HA       MET   1   3.621  -1.188  -1.056
    5   1HB   MET   1          HB2       MET   1   1.306  -1.443  -1.823
    6   2HB   MET   1          HB3       MET   1   1.084   0.308  -1.869
    7   1HG   MET   1          HG2       MET   1   1.498  -0.710  -4.094
    8   2HG   MET   1          HG3       MET   1   2.676   0.532  -3.691
    9   1HE   MET   1          HE1       MET   1   3.418  -1.080  -6.105
   10   2HE   MET   1          HE2       MET   1   4.104  -2.709  -5.885
   11   3HE   MET   1          HE3       MET   1   2.375  -2.442  -5.619
   12    H    ASP   2           H        ASP   2   5.365   0.001  -1.797
   13    HA   ASP   2           HA       ASP   2   5.147   2.914  -1.938
   14   1HB   ASP   2          HB2       ASP   2   5.962   2.623   0.300
   15   2HB   ASP   2          HB3       ASP   2   7.176   1.477  -0.249
   16    H    ILE   3           H        ILE   3   6.036   3.531  -3.837
   17    HA   ILE   3           HA       ILE   3   7.672   1.543  -5.315
   18    HB   ILE   3           HB       ILE   3   5.903   3.650  -6.553
   19   1HG1  ILE   3          HG12      ILE   3   5.129   0.751  -6.022
   20   2HG1  ILE   3          HG13      ILE   3   4.475   2.152  -5.180
   21   1HG2  ILE   3          HG21      ILE   3   6.124   2.256  -8.590
   22   2HG2  ILE   3          HG22      ILE   3   7.667   2.847  -8.012
   23   3HG2  ILE   3          HG23      ILE   3   7.215   1.164  -7.706
   24   1HD1  ILE   3          HD11      ILE   3   3.577   3.034  -7.331
   25   2HD1  ILE   3          HD12      ILE   3   4.062   1.501  -8.109
   26   3HD1  ILE   3          HD13      ILE   3   2.886   1.498  -6.784
   27    H    ILE   4           H        ILE   4   9.775   2.186  -5.714
   28    HA   ILE   4           HA       ILE   4  10.420   5.074  -5.644
   29    HB   ILE   4           HB       ILE   4  12.376   2.784  -5.969
   30   1HG1  ILE   4          HG12      ILE   4  11.619   4.097  -3.335
   31   2HG1  ILE   4          HG13      ILE   4  11.155   2.469  -3.843
   32   1HG2  ILE   4          HG21      ILE   4  13.051   5.158  -6.619
   33   2HG2  ILE   4          HG22      ILE   4  12.817   5.621  -4.928
   34   3HG2  ILE   4          HG23      ILE   4  14.053   4.426  -5.382
   35   1HD1  ILE   4          HD11      ILE   4  13.068   2.326  -2.371
   36   2HD1  ILE   4          HD12      ILE   4  13.550   1.809  -3.995
   37   3HD1  ILE   4          HD13      ILE   4  14.002   3.410  -3.404
   38    H    PHE   5           H        PHE   5  10.029   6.038  -7.586
   39    HA   PHE   5           HA       PHE   5  10.544   4.669 -10.135
   40   1HB   PHE   5          HB2       PHE   5   9.856   7.562  -9.399
   41   2HB   PHE   5          HB3       PHE   5  10.153   7.014 -11.038
   42    HD1  PHE   5           HD1      PHE   5   7.644   7.351  -8.459
   43    HD2  PHE   5           HD2      PHE   5   8.692   5.130 -12.011
   44    HE1  PHE   5           HE1      PHE   5   5.269   6.684  -8.758
   45    HE2  PHE   5           HE2      PHE   5   6.321   4.493 -12.306
   46    HZ   PHE   5           HZ       PHE   5   4.605   5.244 -10.672
   47    H    VAL   6           H        VAL   6  12.570   4.771 -11.154
   48    HA   VAL   6           HA       VAL   6  14.514   6.686 -10.064
   49    HB   VAL   6           HB       VAL   6  14.423   4.861  -8.498
   50   1HG1  VAL   6          HG11      VAL   6  15.063   2.623  -8.931
   51   2HG1  VAL   6          HG12      VAL   6  13.680   3.052  -9.933
   52   3HG1  VAL   6          HG13      VAL   6  15.321   2.968 -10.654
   53   1HG2  VAL   6          HG21      VAL   6  16.954   5.313  -9.985
   54   2HG2  VAL   6          HG22      VAL   6  16.485   5.724  -8.331
   55   3HG2  VAL   6          HG23      VAL   6  16.897   4.068  -8.716
   56    H    CYS   7           H        CYS   7  15.935   7.440 -11.407
   57    HA   CYS   7           HA       CYS   7  16.821   5.955 -13.738
   58   1HB   CYS   7          HB2       CYS   7  16.604   7.899 -15.251
   59   2HB   CYS   7          HB3       CYS   7  15.027   7.302 -14.717
   60    HG   CYS   7           HG       CYS   7  14.714   8.998 -12.775
   61    H    THR   8           H        THR   8  18.944   7.168 -14.538
   62    HA   THR   8           HA       THR   8  20.519   6.703 -12.382
   63    HB   THR   8           HB       THR   8  22.356   7.837 -13.871
   64    HG1  THR   8           HG1      THR   8  21.682   8.248 -15.950
   65   1HG2  THR   8          HG21      THR   8  21.921   5.382 -13.742
   66   2HG2  THR   8          HG22      THR   8  20.672   5.548 -14.999
   67   3HG2  THR   8          HG23      THR   8  22.371   5.902 -15.370
   68    H    GLY   9           H        GLY   9  19.752  10.015 -13.548
   69   1HA   GLY   9          HA2       GLY   9  21.111  11.155 -11.168
   70   2HA   GLY   9          HA3       GLY   9  20.627  11.992 -12.652
   71    H    ASN  10           H        ASN  10  18.144   9.962 -11.625
   72    HA   ASN  10           HA       ASN  10  16.078  10.222 -11.163
   73   1HB   ASN  10          HB2       ASN  10  15.470  10.675  -9.113
   74   2HB   ASN  10          HB3       ASN  10  17.200  10.833  -8.814
   75   1HD2  ASN  10          HD22      ASN  10  18.016  13.208  -9.148
   76   2HD2  ASN  10          HD21      ASN  10  16.984  14.442  -8.453
   77    H    THR  11           H        THR  11  17.457  13.542 -11.565
   78    HA   THR  11           HA       THR  11  14.945  14.777 -11.911
   79    HB   THR  11           HB       THR  11  16.400  16.563 -13.053
   80    HG1  THR  11           HG1      THR  11  18.622  16.218 -12.909
   81   1HG2  THR  11          HG21      THR  11  17.399  15.593 -10.344
   82   2HG2  THR  11          HG22      THR  11  17.400  17.254 -10.958
   83   3HG2  THR  11          HG23      THR  11  15.865  16.461 -10.566
   84    H    CYS  12           H        CYS  12  16.845  12.876 -14.176
   85    HA   CYS  12           HA       CYS  12  15.912  13.806 -16.604
   86   1HB   CYS  12          HB2       CYS  12  16.328  10.860 -15.978
   87   2HB   CYS  12          HB3       CYS  12  16.545  11.686 -17.520
   88    HG   CYS  12           HG       CYS  12  18.883  11.012 -16.576
   89    H    ARG  13           H        ARG  13  14.177  11.586 -14.335
   90    HA   ARG  13           HA       ARG  13  11.705  12.429 -15.516
   91   1HB   ARG  13          HB2       ARG  13  12.784  10.426 -17.044
   92   2HB   ARG  13          HB3       ARG  13  11.904   9.469 -15.862
   93   1HG   ARG  13          HG2       ARG  13   9.848  10.882 -16.385
   94   2HG   ARG  13          HG3       ARG  13  10.779  11.643 -17.681
   95   1HD   ARG  13          HD2       ARG  13  10.067   8.686 -17.426
   96   2HD   ARG  13          HD3       ARG  13   9.319   9.849 -18.512
   97    HE   ARG  13           HE       ARG  13  11.178   9.929 -19.887
   98   1HH1  ARG  13          HH21      ARG  13  11.600   7.397 -17.361
   99   2HH1  ARG  13          HH22      ARG  13  12.503   6.405 -18.481
  100   1HH2  ARG  13          HH11      ARG  13  12.645   8.769 -21.020
  101   2HH2  ARG  13          HH12      ARG  13  13.375   7.295 -20.395
  102    H    SER  14           H        SER  14  13.353  10.688 -12.915
  103    HA   SER  14           HA       SER  14  11.325   9.105 -11.940
  104   1HB   SER  14          HB2       SER  14  13.244  10.717 -10.236
  105   2HB   SER  14          HB3       SER  14  12.351   9.263  -9.770
  106    HG   SER  14           HG       SER  14  14.467   8.776 -10.354
  107    HA   PRO  15           HA       PRO  15   9.324  12.503  -9.389
  108   1HB   PRO  15          HB2       PRO  15   9.701  15.162  -9.751
  109   2HB   PRO  15          HB3       PRO  15  10.768  14.148  -8.736
  110   1HG   PRO  15          HG2       PRO  15  11.219  14.992 -11.617
  111   2HG   PRO  15          HG3       PRO  15  12.368  15.086 -10.241
  112   1HD   PRO  15          HD2       PRO  15  12.392  13.027 -12.008
  113   2HD   PRO  15          HD3       PRO  15  12.741  12.768 -10.272
  114    H    MET  16           H        MET  16   9.679  12.956 -12.895
  115    HA   MET  16           HA       MET  16   7.085  14.174 -13.269
  116   1HB   MET  16          HB2       MET  16   8.721  12.442 -15.172
  117   2HB   MET  16          HB3       MET  16   7.256  13.319 -15.587
  118   1HG   MET  16          HG2       MET  16   8.358  15.452 -15.220
  119   2HG   MET  16          HG3       MET  16   9.804  14.646 -14.607
  120   1HE   MET  16          HE1       MET  16   8.457  14.473 -19.062
  121   2HE   MET  16          HE2       MET  16   7.701  13.414 -17.857
  122   3HE   MET  16          HE3       MET  16   7.496  15.185 -17.747
  123    H    ALA  17           H        ALA  17   8.401  10.844 -13.358
  124    HA   ALA  17           HA       ALA  17   5.906   9.586 -13.872
  125   1HB   ALA  17          HB1       ALA  17   7.028   7.517 -13.133
  126   2HB   ALA  17          HB2       ALA  17   8.105   8.450 -14.192
  127   3HB   ALA  17          HB3       ALA  17   8.350   8.460 -12.427
  128    H    GLU  18           H        GLU  18   7.610  10.332 -10.842
  129    HA   GLU  18           HA       GLU  18   5.758   9.167  -9.084
  130   1HB   GLU  18          HB2       GLU  18   8.080  10.090  -8.594
  131   2HB   GLU  18          HB3       GLU  18   7.362  11.713  -8.613
  132   1HG   GLU  18          HG2       GLU  18   5.709  10.622  -6.847
  133   2HG   GLU  18          HG3       GLU  18   7.018   9.459  -6.641
  134    H    ALA  19           H        ALA  19   5.835  12.464 -10.448
  135    HA   ALA  19           HA       ALA  19   3.586  13.414  -8.987
  136   1HB   ALA  19          HB1       ALA  19   5.277  14.904  -9.999
  137   2HB   ALA  19          HB2       ALA  19   4.801  14.366 -11.627
  138   3HB   ALA  19          HB3       ALA  19   3.675  15.294 -10.626
  139    H    LEU  20           H        LEU  20   3.929  11.953 -12.209
  140    HA   LEU  20           HA       LEU  20   1.167  12.271 -12.939
  141   1HB   LEU  20          HB2       LEU  20   3.298  10.325 -13.913
  142   2HB   LEU  20          HB3       LEU  20   1.649  10.330 -14.531
  143    HG   LEU  20           HG       LEU  20   3.658  12.597 -14.807
  144   1HD1  LEU  20          HD11      LEU  20   3.623  12.044 -17.149
  145   2HD1  LEU  20          HD12      LEU  20   3.944  10.558 -16.223
  146   3HD1  LEU  20          HD13      LEU  20   2.337  10.853 -16.889
  147   1HD2  LEU  20          HD21      LEU  20   0.756  12.447 -15.733
  148   2HD2  LEU  20          HD22      LEU  20   1.464  13.635 -14.615
  149   3HD2  LEU  20          HD23      LEU  20   1.960  13.625 -16.308
  150    H    PHE  21           H        PHE  21   2.988   9.665 -11.287
  151    HA   PHE  21           HA       PHE  21   0.710   7.955 -11.297
  152   1HB   PHE  21          HB2       PHE  21   3.192   7.250 -10.883
  153   2HB   PHE  21          HB3       PHE  21   2.877   7.671  -9.205
  154    HD1  PHE  21           HD1      PHE  21   1.405   5.761 -12.101
  155    HD2  PHE  21           HD2      PHE  21   1.697   6.068  -7.810
  156    HE1  PHE  21           HE1      PHE  21   0.048   3.736 -11.869
  157    HE2  PHE  21           HE2      PHE  21   0.387   3.965  -7.594
  158    HZ   PHE  21           HZ       PHE  21  -0.447   2.799  -9.620
  159    H    LYS  22           H        LYS  22   1.925  10.328  -8.972
  160    HA   LYS  22           HA       LYS  22  -0.014   9.757  -6.954
  161   1HB   LYS  22          HB2       LYS  22   1.626  12.214  -7.650
  162   2HB   LYS  22          HB3       LYS  22   0.438  12.267  -6.336
  163   1HG   LYS  22          HG2       LYS  22   1.538  10.645  -5.039
  164   2HG   LYS  22          HG3       LYS  22   2.364   9.948  -6.417
  165   1HD   LYS  22          HD2       LYS  22   3.973  10.993  -5.028
  166   2HD   LYS  22          HD3       LYS  22   3.877  11.875  -6.558
  167   1HE   LYS  22          HE2       LYS  22   2.736  13.707  -5.533
  168   2HE   LYS  22          HE3       LYS  22   2.486  12.801  -4.027
  169   1HZ   LYS  22          HZ1       LYS  22   4.705  12.995  -3.472
  170   2HZ   LYS  22          HZ2       LYS  22   5.246  13.263  -4.981
  171   3HZ   LYS  22          HZ3       LYS  22   4.440  14.449  -4.155
  172    H    SER  23           H        SER  23  -0.177  11.987  -9.743
  173    HA   SER  23           HA       SER  23  -2.844  12.807  -9.206
  174   1HB   SER  23          HB2       SER  23  -1.286  13.957 -10.774
  175   2HB   SER  23          HB3       SER  23  -1.363  12.563 -11.865
  176    HG   SER  23           HG       SER  23  -3.408  14.416 -11.208
  177    H    ILE  24           H        ILE  24  -1.603  10.056 -11.107
  178    HA   ILE  24           HA       ILE  24  -4.183   9.240 -11.991
  179    HB   ILE  24           HB       ILE  24  -1.497   7.870 -11.915
  180   1HG1  ILE  24          HG12      ILE  24  -3.303   8.676 -14.251
  181   2HG1  ILE  24          HG13      ILE  24  -2.134   9.790 -13.550
  182   1HG2  ILE  24          HG21      ILE  24  -4.110   6.705 -12.991
  183   2HG2  ILE  24          HG22      ILE  24  -2.489   6.015 -13.260
  184   3HG2  ILE  24          HG23      ILE  24  -3.158   6.074 -11.638
  185   1HD1  ILE  24          HD11      ILE  24  -0.281   8.322 -14.110
  186   2HD1  ILE  24          HD12      ILE  24  -1.402   7.126 -14.813
  187   3HD1  ILE  24          HD13      ILE  24  -1.236   8.715 -15.550
  188    H    ALA  25           H        ALA  25  -2.252   8.388  -9.117
  189    HA   ALA  25           HA       ALA  25  -4.002   6.314  -8.298
  190   1HB   ALA  25          HB1       ALA  25  -1.710   6.513  -7.388
  191   2HB   ALA  25          HB2       ALA  25  -2.139   8.057  -6.613
  192   3HB   ALA  25          HB3       ALA  25  -2.902   6.548  -6.072
  193    H    GLU  26           H        GLU  26  -3.920   9.818  -7.625
  194    HA   GLU  26           HA       GLU  26  -6.108   9.748  -5.825
  195   1HB   GLU  26          HB2       GLU  26  -4.482  11.624  -6.052
  196   2HB   GLU  26          HB3       GLU  26  -5.160  12.020  -7.637
  197   1HG   GLU  26          HG2       GLU  26  -7.337  12.544  -6.591
  198   2HG   GLU  26          HG3       GLU  26  -6.718  12.048  -5.014
  199    H    ARG  27           H        ARG  27  -6.013  10.134  -9.384
  200    HA   ARG  27           HA       ARG  27  -8.848  10.622  -9.500
  201   1HB   ARG  27          HB2       ARG  27  -8.666  10.870 -11.757
  202   2HB   ARG  27          HB3       ARG  27  -7.068  11.338 -11.181
  203   1HG   ARG  27          HG2       ARG  27  -6.275   9.018 -11.864
  204   2HG   ARG  27          HG3       ARG  27  -7.864   8.746 -12.563
  205   1HD   ARG  27          HD2       ARG  27  -6.383   9.377 -14.306
  206   2HD   ARG  27          HD3       ARG  27  -7.498  10.727 -14.053
  207    HE   ARG  27           HE       ARG  27  -5.379  11.460 -12.502
  208   1HH1  ARG  27          HH21      ARG  27  -5.551  10.406 -15.931
  209   2HH1  ARG  27          HH22      ARG  27  -4.097  11.304 -16.343
  210   1HH2  ARG  27          HH11      ARG  27  -3.508  12.737 -13.275
  211   2HH2  ARG  27          HH12      ARG  27  -3.024  12.498 -14.951
  212    H    GLU  28           H        GLU  28  -6.856   7.759  -9.743
  213    HA   GLU  28           HA       GLU  28  -9.021   5.961 -10.498
  214   1HB   GLU  28          HB2       GLU  28  -6.167   5.543  -9.496
  215   2HB   GLU  28          HB3       GLU  28  -7.241   4.202  -9.796
  216   1HG   GLU  28          HG2       GLU  28  -6.436   6.258 -11.895
  217   2HG   GLU  28          HG3       GLU  28  -5.753   4.645 -11.716
  218    H    GLY  29           H        GLY  29  -7.783   7.181  -7.425
  219   1HA   GLY  29          HA2       GLY  29  -8.644   6.895  -5.302
  220   2HA   GLY  29          HA3       GLY  29  -9.843   5.738  -5.908
  221    H    LEU  30           H        LEU  30  -6.324   5.571  -6.521
  222    HA   LEU  30           HA       LEU  30  -6.152   2.898  -5.261
  223   1HB   LEU  30          HB2       LEU  30  -4.585   4.464  -7.252
  224   2HB   LEU  30          HB3       LEU  30  -3.583   3.610  -6.097
  225    HG   LEU  30           HG       LEU  30  -5.865   2.215  -7.555
  226   1HD1  LEU  30          HD11      LEU  30  -2.979   2.396  -8.499
  227   2HD1  LEU  30          HD12      LEU  30  -4.273   1.401  -9.220
  228   3HD1  LEU  30          HD13      LEU  30  -4.386   3.168  -9.261
  229   1HD2  LEU  30          HD21      LEU  30  -4.521   0.177  -7.094
  230   2HD2  LEU  30          HD22      LEU  30  -3.301   1.161  -6.262
  231   3HD2  LEU  30          HD23      LEU  30  -4.943   1.008  -5.597
  232    H    ASN  31           H        ASN  31  -4.186   2.628  -3.802
  233    HA   ASN  31           HA       ASN  31  -3.598   5.012  -2.126
  234   1HB   ASN  31          HB2       ASN  31  -5.376   3.870  -0.899
  235   2HB   ASN  31          HB3       ASN  31  -4.576   2.310  -1.116
  236   1HD2  ASN  31          HD22      ASN  31  -4.006   1.765   1.021
  237   2HD2  ASN  31          HD21      ASN  31  -3.013   2.774   2.036
  238    H    VAL  32           H        VAL  32  -1.455   5.198  -2.117
  239    HA   VAL  32           HA       VAL  32   0.368   2.919  -2.048
  240    HB   VAL  32           HB       VAL  32   1.596   3.774  -4.057
  241   1HG1  VAL  32          HG11      VAL  32  -1.201   2.947  -4.905
  242   2HG1  VAL  32          HG12      VAL  32   0.350   2.702  -5.735
  243   3HG1  VAL  32          HG13      VAL  32   0.015   1.825  -4.237
  244   1HG2  VAL  32          HG21      VAL  32   0.581   5.211  -5.699
  245   2HG2  VAL  32          HG22      VAL  32  -0.929   5.333  -4.776
  246   3HG2  VAL  32          HG23      VAL  32   0.571   6.081  -4.168
  247    H    ASN  33           H        ASN  33   2.667   3.849  -1.973
  248    HA   ASN  33           HA       ASN  33   2.836   6.741  -1.477
  249   1HB   ASN  33          HB2       ASN  33   3.465   5.395   0.636
  250   2HB   ASN  33          HB3       ASN  33   4.764   4.672  -0.318
  251   1HD2  ASN  33          HD22      ASN  33   6.662   5.933  -0.738
  252   2HD2  ASN  33          HD21      ASN  33   6.857   7.543  -0.059
  253    H    VAL  34           H        VAL  34   4.644   7.593  -2.702
  254    HA   VAL  34           HA       VAL  34   6.219   5.700  -4.212
  255    HB   VAL  34           HB       VAL  34   5.886   6.809  -6.376
  256   1HG1  VAL  34          HG11      VAL  34   4.337   4.848  -5.764
  257   2HG1  VAL  34          HG12      VAL  34   3.089   6.042  -5.425
  258   3HG1  VAL  34          HG13      VAL  34   3.786   5.920  -7.051
  259   1HG2  VAL  34          HG21      VAL  34   3.514   8.288  -5.171
  260   2HG2  VAL  34          HG22      VAL  34   5.098   9.022  -5.406
  261   3HG2  VAL  34          HG23      VAL  34   4.188   8.433  -6.815
  262    H    ARG  35           H        ARG  35   8.100   6.622  -5.139
  263    HA   ARG  35           HA       ARG  35   9.048   9.132  -3.907
  264   1HB   ARG  35          HB2       ARG  35   9.498   6.599  -2.751
  265   2HB   ARG  35          HB3       ARG  35  10.852   6.728  -3.850
  266   1HG   ARG  35          HG2       ARG  35  11.825   7.732  -2.071
  267   2HG   ARG  35          HG3       ARG  35  11.045   9.178  -2.707
  268   1HD   ARG  35          HD2       ARG  35  10.026   7.358  -0.485
  269   2HD   ARG  35          HD3       ARG  35  10.708   8.977  -0.293
  270    HE   ARG  35           HE       ARG  35   8.270   8.596  -1.974
  271   1HH1  ARG  35          HH21      ARG  35   9.605   9.983   1.024
  272   2HH1  ARG  35          HH22      ARG  35   8.224  10.973   1.314
  273   1HH2  ARG  35          HH11      ARG  35   6.529   9.853  -1.627
  274   2HH2  ARG  35          HH12      ARG  35   6.387  10.884  -0.234
  275    H    SER  36           H        SER  36  11.274   9.611  -4.776
  276    HA   SER  36           HA       SER  36  11.777   8.568  -7.499
  277   1HB   SER  36          HB2       SER  36  11.885  11.468  -6.530
  278   2HB   SER  36          HB3       SER  36  12.388  10.911  -8.127
  279    HG   SER  36           HG       SER  36   9.811  11.010  -6.956
  280    H    ALA  37           H        ALA  37  13.933   8.069  -7.801
  281    HA   ALA  37           HA       ALA  37  15.990   9.388  -6.163
  282   1HB   ALA  37          HB1       ALA  37  15.624   6.357  -6.121
  283   2HB   ALA  37          HB2       ALA  37  16.887   7.306  -5.291
  284   3HB   ALA  37          HB3       ALA  37  15.209   7.442  -4.777
  285    H    GLY  38           H        GLY  38  18.181   8.250  -6.832
  286   1HA   GLY  38          HA2       GLY  38  18.216   7.053  -9.481
  287   2HA   GLY  38          HA3       GLY  38  18.976   8.647  -9.412
  288    H    VAL  39           H        VAL  39  20.230   5.982  -9.904
  289    HA   VAL  39           HA       VAL  39  21.642   5.138  -7.557
  290    HB   VAL  39           HB       VAL  39  23.238   4.108  -9.349
  291   1HG1  VAL  39          HG11      VAL  39  20.314   3.362  -9.034
  292   2HG1  VAL  39          HG12      VAL  39  21.516   2.331  -9.851
  293   3HG1  VAL  39          HG13      VAL  39  21.704   2.744  -8.137
  294   1HG2  VAL  39          HG21      VAL  39  20.922   4.734 -11.212
  295   2HG2  VAL  39          HG22      VAL  39  22.499   5.531 -11.277
  296   3HG2  VAL  39          HG23      VAL  39  22.355   3.783 -11.569
  297    H    PHE  40           H        PHE  40  22.191   7.844  -9.710
  298    HA   PHE  40           HA       PHE  40  24.642   8.529  -8.182
  299   1HB   PHE  40          HB2       PHE  40  24.301   8.527 -11.206
  300   2HB   PHE  40          HB3       PHE  40  25.617   9.338 -10.368
  301    HD1  PHE  40           HD1      PHE  40  27.143   7.979  -8.809
  302    HD2  PHE  40           HD2      PHE  40  24.553   6.165 -11.749
  303    HE1  PHE  40           HE1      PHE  40  28.493   5.900  -8.725
  304    HE2  PHE  40           HE2      PHE  40  25.905   4.096 -11.657
  305    HZ   PHE  40           HZ       PHE  40  27.875   3.952 -10.146
  306    H    ALA  41           H        ALA  41  21.775   9.371  -8.007
  307    HA   ALA  41           HA       ALA  41  21.752  12.207  -8.765
  308   1HB   ALA  41          HB1       ALA  41  19.676  12.222  -7.401
  309   2HB   ALA  41          HB2       ALA  41  19.643  10.914  -8.600
  310   3HB   ALA  41          HB3       ALA  41  19.994  10.549  -6.904
  311    H    SER  42           H        SER  42  21.442  13.774  -6.831
  312    HA   SER  42           HA       SER  42  23.262  13.132  -4.593
  313   1HB   SER  42          HB2       SER  42  23.402  15.636  -6.307
  314   2HB   SER  42          HB3       SER  42  24.421  15.258  -4.906
  315    HG   SER  42           HG       SER  42  25.440  14.773  -6.909
  316    HA   PRO  43           HA       PRO  43  19.991  14.855  -2.193
  317   1HB   PRO  43          HB2       PRO  43  22.207  15.932  -0.451
  318   2HB   PRO  43          HB3       PRO  43  20.665  15.146   0.035
  319   1HG   PRO  43          HG2       PRO  43  22.855  13.623  -0.063
  320   2HG   PRO  43          HG3       PRO  43  21.367  13.046  -0.914
  321   1HD   PRO  43          HD2       PRO  43  23.750  14.503  -2.120
  322   2HD   PRO  43          HD3       PRO  43  22.971  12.974  -2.627
  323    H    ASN  44           H        ASN  44  21.660  17.100  -4.038
  324    HA   ASN  44           HA       ASN  44  19.934  19.281  -3.201
  325   1HB   ASN  44          HB2       ASN  44  21.689  19.642  -1.588
  326   2HB   ASN  44          HB3       ASN  44  22.926  19.604  -2.861
  327   1HD2  ASN  44          HD22      ASN  44  23.654  21.786  -2.544
  328   2HD2  ASN  44          HD21      ASN  44  22.637  23.166  -2.867
  329    H    GLY  45           H        GLY  45  19.344  18.385  -5.288
  330   1HA   GLY  45          HA2       GLY  45  19.876  20.580  -7.078
  331   2HA   GLY  45          HA3       GLY  45  20.021  18.974  -7.843
  332    H    LYS  46           H        LYS  46  17.805  20.487  -8.718
  333    HA   LYS  46           HA       LYS  46  15.682  18.789  -7.692
  334   1HB   LYS  46          HB2       LYS  46  14.110  20.565  -7.131
  335   2HB   LYS  46          HB3       LYS  46  15.502  20.548  -6.058
  336   1HG   LYS  46          HG2       LYS  46  16.482  22.476  -7.299
  337   2HG   LYS  46          HG3       LYS  46  15.017  22.555  -8.293
  338   1HD   LYS  46          HD2       LYS  46  15.151  22.895  -5.267
  339   2HD   LYS  46          HD3       LYS  46  14.991  24.195  -6.457
  340   1HE   LYS  46          HE2       LYS  46  12.823  23.219  -7.222
  341   2HE   LYS  46          HE3       LYS  46  12.968  21.955  -5.995
  342   1HZ   LYS  46          HZ1       LYS  46  12.703  24.850  -5.448
  343   2HZ   LYS  46          HZ2       LYS  46  11.555  23.702  -5.227
  344   3HZ   LYS  46          HZ3       LYS  46  12.900  23.702  -4.297
  345    H    ALA  47           H        ALA  47  14.181  18.370  -9.067
  346    HA   ALA  47           HA       ALA  47  13.360  17.913 -11.157
  347   1HB   ALA  47          HB1       ALA  47  11.924  19.583  -9.960
  348   2HB   ALA  47          HB2       ALA  47  12.686  20.869 -10.916
  349   3HB   ALA  47          HB3       ALA  47  11.730  19.593 -11.719
  350    H    THR  48           H        THR  48  12.914  19.944 -13.327
  351    HA   THR  48           HA       THR  48  15.551  20.749 -14.191
  352    HB   THR  48           HB       THR  48  15.511  19.851 -16.383
  353    HG1  THR  48           HG1      THR  48  13.851  18.496 -17.110
  354   1HG2  THR  48          HG21      THR  48  14.692  17.533 -14.614
  355   2HG2  THR  48          HG22      THR  48  15.584  17.433 -16.147
  356   3HG2  THR  48          HG23      THR  48  16.338  18.214 -14.750
  357    HA   PRO  49           HA       PRO  49  13.187  24.294 -15.386
  358   1HB   PRO  49          HB2       PRO  49  14.469  24.113 -18.120
  359   2HB   PRO  49          HB3       PRO  49  14.279  25.545 -17.059
  360   1HG   PRO  49          HG2       PRO  49  16.658  24.262 -17.192
  361   2HG   PRO  49          HG3       PRO  49  16.013  24.779 -15.599
  362   1HD   PRO  49          HD2       PRO  49  15.928  22.033 -16.860
  363   2HD   PRO  49          HD3       PRO  49  16.319  22.497 -15.176
  364    H    HIS  50           H        HIS  50  12.927  21.406 -17.398
  365    HA   HIS  50           HA       HIS  50  10.472  22.491 -18.663
  366   1HB   HIS  50          HB2       HIS  50  12.525  20.550 -19.703
  367   2HB   HIS  50          HB3       HIS  50  10.992  20.894 -20.510
  368    HD1  HIS  50           HD1      HIS  50  13.962  21.491 -21.778
  369    HD2  HIS  50           HD2      HIS  50  11.246  24.202 -20.017
  370    HE1  HIS  50           HE1      HIS  50  14.556  23.793 -22.668
  371    H    ALA  51           H        ALA  51  11.802  19.652 -16.935
  372    HA   ALA  51           HA       ALA  51   9.442  18.073 -17.177
  373   1HB   ALA  51          HB1       ALA  51  11.480  18.294 -14.897
  374   2HB   ALA  51          HB2       ALA  51  10.238  17.041 -15.021
  375   3HB   ALA  51          HB3       ALA  51  11.525  17.130 -16.231
  376    H    VAL  52           H        VAL  52  10.489  20.510 -14.805
  377    HA   VAL  52           HA       VAL  52   8.194  20.309 -13.205
  378    HB   VAL  52           HB       VAL  52  10.598  21.335 -12.878
  379   1HG1  VAL  52          HG11      VAL  52   9.129  23.898 -13.477
  380   2HG1  VAL  52          HG12      VAL  52  10.783  23.713 -12.845
  381   3HG1  VAL  52          HG13      VAL  52  10.419  23.173 -14.487
  382   1HG2  VAL  52          HG21      VAL  52   9.856  22.601 -10.913
  383   2HG2  VAL  52          HG22      VAL  52   8.176  22.488 -11.498
  384   3HG2  VAL  52          HG23      VAL  52   9.089  21.021 -11.078
  385    H    GLU  53           H        GLU  53   8.968  22.339 -15.991
  386    HA   GLU  53           HA       GLU  53   6.625  23.922 -15.802
  387   1HB   GLU  53          HB2       GLU  53   8.650  24.625 -16.997
  388   2HB   GLU  53          HB3       GLU  53   8.411  23.352 -18.205
  389   1HG   GLU  53          HG2       GLU  53   6.383  24.409 -19.014
  390   2HG   GLU  53          HG3       GLU  53   6.365  25.537 -17.655
  391    H    ALA  54           H        ALA  54   7.368  20.890 -17.515
  392    HA   ALA  54           HA       ALA  54   4.946  20.716 -18.963
  393   1HB   ALA  54          HB1       ALA  54   5.522  18.291 -19.145
  394   2HB   ALA  54          HB2       ALA  54   6.913  19.328 -19.497
  395   3HB   ALA  54          HB3       ALA  54   6.784  18.503 -17.928
  396    H    LEU  55           H        LEU  55   5.808  19.571 -15.689
  397    HA   LEU  55           HA       LEU  55   3.098  18.467 -15.356
  398   1HB   LEU  55          HB2       LEU  55   5.499  18.729 -13.569
  399   2HB   LEU  55          HB3       LEU  55   3.923  18.295 -12.891
  400    HG   LEU  55           HG       LEU  55   5.399  16.365 -13.275
  401   1HD1  LEU  55          HD11      LEU  55   3.732  14.888 -14.230
  402   2HD1  LEU  55          HD12      LEU  55   2.971  16.075 -13.172
  403   3HD1  LEU  55          HD13      LEU  55   2.861  16.257 -14.947
  404   1HD2  LEU  55          HD21      LEU  55   4.967  16.794 -16.260
  405   2HD2  LEU  55          HD22      LEU  55   6.505  16.989 -15.390
  406   3HD2  LEU  55          HD23      LEU  55   5.741  15.401 -15.489
  407    H    PHE  56           H        PHE  56   4.622  21.585 -14.653
  408    HA   PHE  56           HA       PHE  56   2.394  22.479 -13.029
  409   1HB   PHE  56          HB2       PHE  56   4.756  23.780 -14.326
  410   2HB   PHE  56          HB3       PHE  56   3.337  24.787 -14.161
  411    HD1  PHE  56           HD1      PHE  56   6.164  23.425 -12.360
  412    HD2  PHE  56           HD2      PHE  56   2.179  25.008 -11.900
  413    HE1  PHE  56           HE1      PHE  56   6.615  23.857  -9.965
  414    HE2  PHE  56           HE2      PHE  56   2.639  25.454  -9.508
  415    HZ   PHE  56           HZ       PHE  56   4.864  24.897  -8.534
  416    H    GLU  57           H        GLU  57   3.082  22.507 -16.574
  417    HA   GLU  57           HA       GLU  57   0.674  23.881 -17.244
  418   1HB   GLU  57          HB2       GLU  57   2.735  23.497 -18.663
  419   2HB   GLU  57          HB3       GLU  57   2.175  21.860 -18.964
  420   1HG   GLU  57          HG2       GLU  57   0.657  24.437 -19.608
  421   2HG   GLU  57          HG3       GLU  57   1.660  23.556 -20.755
  422    H    LYS  58           H        LYS  58   1.417  20.365 -16.810
  423    HA   LYS  58           HA       LYS  58  -1.303  19.523 -17.263
  424   1HB   LYS  58          HB2       LYS  58   0.815  18.107 -17.315
  425   2HB   LYS  58          HB3       LYS  58   0.756  18.082 -15.549
  426   1HG   LYS  58          HG2       LYS  58  -1.350  16.903 -15.556
  427   2HG   LYS  58          HG3       LYS  58  -1.602  17.187 -17.278
  428   1HD   LYS  58          HD2       LYS  58   0.730  15.582 -16.185
  429   2HD   LYS  58          HD3       LYS  58  -0.824  14.836 -16.549
  430   1HE   LYS  58          HE2       LYS  58   0.802  16.405 -18.597
  431   2HE   LYS  58          HE3       LYS  58   0.965  14.662 -18.354
  432   1HZ   LYS  58          HZ1       LYS  58  -0.592  15.218 -20.158
  433   2HZ   LYS  58          HZ2       LYS  58  -1.296  14.338 -18.983
  434   3HZ   LYS  58          HZ3       LYS  58  -1.599  15.953 -19.099
  435    H    HIS  59           H        HIS  59   0.012  21.338 -14.732
  436    HA   HIS  59           HA       HIS  59  -0.768  22.212 -12.876
  437   1HB   HIS  59          HB2       HIS  59  -2.808  22.569 -14.288
  438   2HB   HIS  59          HB3       HIS  59  -3.533  21.161 -13.511
  439    HD1  HIS  59           HD1      HIS  59  -4.913  21.820 -11.370
  440    HD2  HIS  59           HD2      HIS  59  -1.823  24.506 -12.356
  441    HE1  HIS  59           HE1      HIS  59  -5.075  23.735  -9.700
  442    H    ILE  60           H        ILE  60   0.688  20.161 -12.510
  443    HA   ILE  60           HA       ILE  60  -0.487  18.713 -10.180
  444    HB   ILE  60           HB       ILE  60   1.590  17.760 -12.169
  445   1HG1  ILE  60          HG12      ILE  60  -1.253  16.750 -11.627
  446   2HG1  ILE  60          HG13      ILE  60  -0.772  17.707 -13.025
  447   1HG2  ILE  60          HG21      ILE  60   1.462  15.579 -10.904
  448   2HG2  ILE  60          HG22      ILE  60   2.089  16.871  -9.910
  449   3HG2  ILE  60          HG23      ILE  60   0.402  16.352  -9.717
  450   1HD1  ILE  60          HD11      ILE  60  -0.957  15.417 -13.695
  451   2HD1  ILE  60          HD12      ILE  60   0.744  15.921 -13.769
  452   3HD1  ILE  60          HD13      ILE  60   0.166  14.875 -12.448
  453    H    ALA  61           H        ALA  61   1.951  20.911 -11.324
  454    HA   ALA  61           HA       ALA  61   3.589  22.063 -10.314
  455   1HB   ALA  61          HB1       ALA  61   3.164  22.819  -8.023
  456   2HB   ALA  61          HB2       ALA  61   1.688  22.865  -9.009
  457   3HB   ALA  61          HB3       ALA  61   1.927  21.569  -7.817
  458    H    LEU  62           H        LEU  62   4.970  20.210 -10.951
  459    HA   LEU  62           HA       LEU  62   5.921  18.246  -9.077
  460   1HB   LEU  62          HB2       LEU  62   6.145  18.240 -11.573
  461   2HB   LEU  62          HB3       LEU  62   7.322  19.541 -11.465
  462    HG   LEU  62           HG       LEU  62   7.601  16.671 -10.455
  463   1HD1  LEU  62          HD11      LEU  62   7.654  16.999 -12.935
  464   2HD1  LEU  62          HD12      LEU  62   9.021  18.114 -12.735
  465   3HD1  LEU  62          HD13      LEU  62   9.182  16.403 -12.290
  466   1HD2  LEU  62          HD21      LEU  62   9.103  17.719  -9.005
  467   2HD2  LEU  62          HD22      LEU  62  10.140  17.371 -10.370
  468   3HD2  LEU  62          HD23      LEU  62   9.510  19.008 -10.172
  469    H    ASN  63           H        ASN  63   7.408  18.506  -7.422
  470    HA   ASN  63           HA       ASN  63   9.537  20.402  -7.656
  471   1HB   ASN  63          HB2       ASN  63   7.264  21.378  -6.188
  472   2HB   ASN  63          HB3       ASN  63   8.478  20.938  -4.990
  473   1HD2  ASN  63          HD22      ASN  63   8.311  22.526  -8.226
  474   2HD2  ASN  63          HD21      ASN  63   9.415  23.835  -7.830
  475    H    HIS  64           H        HIS  64  11.215  19.103  -7.094
  476    HA   HIS  64           HA       HIS  64  11.024  17.305  -4.770
  477   1HB   HIS  64          HB2       HIS  64  10.127  15.956  -6.665
  478   2HB   HIS  64          HB3       HIS  64  11.569  16.333  -7.617
  479    HD1  HIS  64           HD1      HIS  64  10.605  14.334  -4.427
  480    HD2  HIS  64           HD2      HIS  64  13.738  14.884  -7.186
  481    HE1  HIS  64           HE1      HIS  64  12.367  12.582  -3.875
  482    H    VAL  65           H        VAL  65  12.898  17.706  -3.701
  483    HA   VAL  65           HA       VAL  65  15.308  18.541  -5.183
  484    HB   VAL  65           HB       VAL  65  14.785  18.145  -2.202
  485   1HG1  VAL  65          HG11      VAL  65  17.173  17.684  -2.725
  486   2HG1  VAL  65          HG12      VAL  65  17.286  19.241  -3.571
  487   3HG1  VAL  65          HG13      VAL  65  16.987  19.187  -1.823
  488   1HG2  VAL  65          HG21      VAL  65  15.020  20.585  -2.056
  489   2HG2  VAL  65          HG22      VAL  65  15.305  20.695  -3.799
  490   3HG2  VAL  65          HG23      VAL  65  13.713  20.188  -3.188
  491    H    SER  66           H        SER  66  16.686  17.104  -5.886
  492    HA   SER  66           HA       SER  66  16.390  14.374  -6.083
  493   1HB   SER  66          HB2       SER  66  18.871  16.146  -6.067
  494   2HB   SER  66          HB3       SER  66  18.764  14.548  -6.834
  495    HG   SER  66           HG       SER  66  18.411  16.472  -8.211
  496    H    SER  67           H        SER  67  17.437  12.591  -5.131
  497    HA   SER  67           HA       SER  67  19.334  12.790  -2.925
  498   1HB   SER  67          HB2       SER  67  16.611  11.406  -2.623
  499   2HB   SER  67          HB3       SER  67  17.980  11.202  -1.524
  500    HG   SER  67           HG       SER  67  16.451  12.724  -0.762
  501    HA   PRO  68           HA       PRO  68  20.422   9.098  -5.262
  502   1HB   PRO  68          HB2       PRO  68  22.053   7.749  -3.552
  503   2HB   PRO  68          HB3       PRO  68  22.522   9.318  -4.268
  504   1HG   PRO  68          HG2       PRO  68  21.286   8.823  -1.538
  505   2HG   PRO  68          HG3       PRO  68  22.744   9.795  -1.929
  506   1HD   PRO  68          HD2       PRO  68  20.287  10.937  -1.614
  507   2HD   PRO  68          HD3       PRO  68  21.440  11.538  -2.845
  508    H    LEU  69           H        LEU  69  20.094   6.780  -5.320
  509    HA   LEU  69           HA       LEU  69  17.958   5.735  -3.532
  510   1HB   LEU  69          HB2       LEU  69  17.760   5.248  -5.939
  511   2HB   LEU  69          HB3       LEU  69  19.385   4.579  -5.979
  512    HG   LEU  69           HG       LEU  69  18.763   2.664  -4.732
  513   1HD1  LEU  69          HD11      LEU  69  17.298   3.494  -2.969
  514   2HD1  LEU  69          HD12      LEU  69  16.101   4.030  -4.166
  515   3HD1  LEU  69          HD13      LEU  69  16.396   2.299  -3.887
  516   1HD2  LEU  69          HD21      LEU  69  17.091   1.633  -6.132
  517   2HD2  LEU  69          HD22      LEU  69  16.422   3.214  -6.583
  518   3HD2  LEU  69          HD23      LEU  69  18.053   2.746  -7.119
  519    H    THR  70           H        THR  70  18.663   5.072  -1.593
  520    HA   THR  70           HA       THR  70  21.202   3.593  -1.387
  521    HB   THR  70           HB       THR  70  21.231   4.774   0.965
  522    HG1  THR  70           HG1      THR  70  20.333   6.798   0.961
  523   1HG2  THR  70          HG21      THR  70  22.942   4.999  -0.793
  524   2HG2  THR  70          HG22      THR  70  21.967   6.239  -1.608
  525   3HG2  THR  70          HG23      THR  70  22.646   6.554   0.008
  526    H    GLU  71           H        GLU  71  21.269   2.377   0.760
  527    HA   GLU  71           HA       GLU  71  19.446   0.410   0.049
  528   1HB   GLU  71          HB2       GLU  71  21.796   0.140   0.911
  529   2HB   GLU  71          HB3       GLU  71  21.198   0.454   2.545
  530   1HG   GLU  71          HG2       GLU  71  19.734  -1.544   2.388
  531   2HG   GLU  71          HG3       GLU  71  20.258  -1.812   0.723
  532    H    GLU  72           H        GLU  72  19.342   2.656   2.780
  533    HA   GLU  72           HA       GLU  72  17.321   1.330   4.264
  534   1HB   GLU  72          HB2       GLU  72  16.989   3.496   5.379
  535   2HB   GLU  72          HB3       GLU  72  18.688   3.034   5.273
  536   1HG   GLU  72          HG2       GLU  72  18.966   4.599   3.330
  537   2HG   GLU  72          HG3       GLU  72  17.285   5.099   3.522
  538    H    LEU  73           H        LEU  73  17.126   3.582   1.520
  539    HA   LEU  73           HA       LEU  73  14.265   3.850   1.696
  540   1HB   LEU  73          HB2       LEU  73  15.693   5.560   0.610
  541   2HB   LEU  73          HB3       LEU  73  16.173   4.365  -0.607
  542    HG   LEU  73           HG       LEU  73  13.886   4.239  -1.434
  543   1HD1  LEU  73          HD11      LEU  73  12.124   5.752  -0.838
  544   2HD1  LEU  73          HD12      LEU  73  12.547   4.727   0.522
  545   3HD1  LEU  73          HD13      LEU  73  13.107   6.422   0.498
  546   1HD2  LEU  73          HD21      LEU  73  15.493   5.865  -2.386
  547   2HD2  LEU  73          HD22      LEU  73  13.820   6.413  -2.534
  548   3HD2  LEU  73          HD23      LEU  73  14.875   7.105  -1.278
  549    H    MET  74           H        MET  74  16.559   1.792  -0.057
  550    HA   MET  74           HA       MET  74  14.689   0.384  -1.641
  551   1HB   MET  74          HB2       MET  74  16.722  -0.063  -2.443
  552   2HB   MET  74          HB3       MET  74  17.515   0.139  -0.900
  553   1HG   MET  74          HG2       MET  74  17.937  -2.067  -1.668
  554   2HG   MET  74          HG3       MET  74  16.940  -2.139  -0.234
  555   1HE   MET  74          HE1       MET  74  17.260  -3.048  -4.048
  556   2HE   MET  74          HE2       MET  74  15.571  -3.268  -4.534
  557   3HE   MET  74          HE3       MET  74  16.169  -1.642  -4.135
  558    H    GLU  75           H        GLU  75  15.887  -0.260   1.658
  559    HA   GLU  75           HA       GLU  75  14.356  -2.665   2.041
  560   1HB   GLU  75          HB2       GLU  75  15.656  -0.695   3.965
  561   2HB   GLU  75          HB3       GLU  75  14.762  -2.118   4.511
  562   1HG   GLU  75          HG2       GLU  75  16.257  -3.583   3.170
  563   2HG   GLU  75          HG3       GLU  75  17.230  -2.187   2.725
  564    H    SER  76           H        SER  76  13.670   0.802   2.634
  565    HA   SER  76           HA       SER  76  11.230   0.377   4.071
  566   1HB   SER  76          HB2       SER  76  12.110   2.761   2.387
  567   2HB   SER  76          HB3       SER  76  10.799   2.745   3.577
  568    HG   SER  76           HG       SER  76  13.584   2.365   4.020
  569    H    ALA  77           H        ALA  77  11.934   0.687   0.555
  570    HA   ALA  77           HA       ALA  77   9.137   0.937  -0.083
  571   1HB   ALA  77          HB1       ALA  77   9.874   1.043  -2.391
  572   2HB   ALA  77          HB2       ALA  77  10.868   2.078  -1.365
  573   3HB   ALA  77          HB3       ALA  77  11.506   0.500  -1.922
  574    H    ASP  78           H        ASP  78   8.151  -0.422  -1.858
  575    HA   ASP  78           HA       ASP  78   8.580  -3.306  -1.291
  576   1HB   ASP  78          HB2       ASP  78   6.557  -2.233  -0.188
  577   2HB   ASP  78          HB3       ASP  78   5.907  -1.963  -1.806
  578    H    LEU  79           H        LEU  79   8.329  -0.846  -3.732
  579    HA   LEU  79           HA       LEU  79   8.848  -2.890  -5.776
  580   1HB   LEU  79          HB2       LEU  79   6.335  -2.192  -5.733
  581   2HB   LEU  79          HB3       LEU  79   6.898  -0.596  -6.193
  582    HG   LEU  79           HG       LEU  79   7.943  -1.663  -8.271
  583   1HD1  LEU  79          HD11      LEU  79   6.990  -3.891  -8.926
  584   2HD1  LEU  79          HD12      LEU  79   8.066  -4.007  -7.527
  585   3HD1  LEU  79          HD13      LEU  79   6.306  -4.053  -7.298
  586   1HD2  LEU  79          HD21      LEU  79   5.855  -1.812  -9.500
  587   2HD2  LEU  79          HD22      LEU  79   4.931  -2.044  -8.007
  588   3HD2  LEU  79          HD23      LEU  79   5.732  -0.496  -8.331
  589    H    VAL  80           H        VAL  80  10.165  -2.018  -7.466
  590    HA   VAL  80           HA       VAL  80  10.980   0.816  -7.258
  591    HB   VAL  80           HB       VAL  80  12.876  -1.558  -7.480
  592   1HG1  VAL  80          HG11      VAL  80  14.685   0.120  -7.322
  593   2HG1  VAL  80          HG12      VAL  80  13.696   0.396  -8.760
  594   3HG1  VAL  80          HG13      VAL  80  13.487   1.427  -7.337
  595   1HG2  VAL  80          HG21      VAL  80  13.796  -0.731  -5.285
  596   2HG2  VAL  80          HG22      VAL  80  12.391   0.362  -5.181
  597   3HG2  VAL  80          HG23      VAL  80  12.162  -1.386  -5.174
  598    H    LEU  81           H        LEU  81  11.247   1.729  -9.291
  599    HA   LEU  81           HA       LEU  81  10.671  -0.027 -11.588
  600   1HB   LEU  81          HB2       LEU  81   8.752   1.462 -10.271
  601   2HB   LEU  81          HB3       LEU  81   9.204   2.526 -11.597
  602    HG   LEU  81           HG       LEU  81   8.455  -0.440 -11.980
  603   1HD1  LEU  81          HD11      LEU  81   6.542   0.746 -11.037
  604   2HD1  LEU  81          HD12      LEU  81   6.780   2.084 -12.176
  605   3HD1  LEU  81          HD13      LEU  81   6.272   0.481 -12.769
  606   1HD2  LEU  81          HD21      LEU  81   9.800   0.447 -13.792
  607   2HD2  LEU  81          HD22      LEU  81   8.119   0.250 -14.304
  608   3HD2  LEU  81          HD23      LEU  81   8.745   1.871 -13.904
  609    H    ALA  82           H        ALA  82  12.561   0.099 -12.551
  610    HA   ALA  82           HA       ALA  82  14.182   2.538 -12.431
  611   1HB   ALA  82          HB1       ALA  82  15.215   0.406 -11.683
  612   2HB   ALA  82          HB2       ALA  82  14.864  -0.317 -13.272
  613   3HB   ALA  82          HB3       ALA  82  16.017   1.027 -13.137
  614    H    MET  83           H        MET  83  15.020   3.424 -14.317
  615    HA   MET  83           HA       MET  83  13.297   3.017 -16.655
  616   1HB   MET  83          HB2       MET  83  14.911   5.373 -15.689
  617   2HB   MET  83          HB3       MET  83  13.902   5.370 -17.149
  618   1HG   MET  83          HG2       MET  83  11.945   4.654 -15.792
  619   2HG   MET  83          HG3       MET  83  12.905   4.728 -14.334
  620   1HE   MET  83          HE1       MET  83  10.114   5.935 -14.531
  621   2HE   MET  83          HE2       MET  83  11.158   6.013 -13.095
  622   3HE   MET  83          HE3       MET  83  10.367   7.491 -13.696
  623    H    THR  84           H        THR  84  16.092   1.603 -16.026
  624    HA   THR  84           HA       THR  84  16.470   1.110 -18.828
  625    HB   THR  84           HB       THR  84  19.158   1.394 -18.058
  626    HG1  THR  84           HG1      THR  84  19.355   3.572 -17.483
  627   1HG2  THR  84          HG21      THR  84  17.532   3.317 -19.768
  628   2HG2  THR  84          HG22      THR  84  19.295   3.103 -19.794
  629   3HG2  THR  84          HG23      THR  84  18.240   1.781 -20.313
  630    H    HIS  85           H        HIS  85  17.323  -1.045 -19.091
  631    HA   HIS  85           HA       HIS  85  17.071  -2.710 -16.797
  632   1HB   HIS  85          HB2       HIS  85  16.641  -3.553 -19.040
  633   2HB   HIS  85          HB3       HIS  85  18.316  -3.258 -19.518
  634    HD1  HIS  85           HD1      HIS  85  19.373  -5.643 -19.736
  635    HD2  HIS  85           HD2      HIS  85  16.950  -5.114 -16.333
  636    HE1  HIS  85           HE1      HIS  85  19.594  -7.770 -18.359
  637    H    GLN  86           H        GLN  86  19.915  -1.321 -18.446
  638    HA   GLN  86           HA       GLN  86  21.878  -2.572 -16.856
  639   1HB   GLN  86          HB2       GLN  86  22.457  -1.301 -18.871
  640   2HB   GLN  86          HB3       GLN  86  21.875   0.194 -18.136
  641   1HG   GLN  86          HG2       GLN  86  24.300   0.134 -18.099
  642   2HG   GLN  86          HG3       GLN  86  23.688   0.113 -16.457
  643   1HE2  GLN  86          HE22      GLN  86  23.812  -1.963 -15.227
  644   2HE2  GLN  86          HE21      GLN  86  25.006  -3.152 -15.704
  645    H    HIS  87           H        HIS  87  19.996   0.404 -16.234
  646    HA   HIS  87           HA       HIS  87  21.191   1.013 -13.753
  647   1HB   HIS  87          HB2       HIS  87  19.906   2.564 -15.125
  648   2HB   HIS  87          HB3       HIS  87  18.428   1.646 -14.844
  649    HD1  HIS  87           HD1      HIS  87  19.217   1.481 -11.524
  650    HD2  HIS  87           HD2      HIS  87  18.636   4.685 -14.179
  651    HE1  HIS  87           HE1      HIS  87  18.434   3.451 -10.119
  652    H    LYS  88           H        LYS  88  18.400  -1.107 -14.525
  653    HA   LYS  88           HA       LYS  88  17.786  -1.768 -11.816
  654   1HB   LYS  88          HB2       LYS  88  16.222  -2.350 -13.491
  655   2HB   LYS  88          HB3       LYS  88  17.396  -3.266 -14.421
  656   1HG   LYS  88          HG2       LYS  88  17.432  -5.065 -12.854
  657   2HG   LYS  88          HG3       LYS  88  16.504  -4.152 -11.650
  658   1HD   LYS  88          HD2       LYS  88  14.511  -4.210 -13.018
  659   2HD   LYS  88          HD3       LYS  88  15.399  -4.780 -14.435
  660   1HE   LYS  88          HE2       LYS  88  15.790  -6.937 -13.471
  661   2HE   LYS  88          HE3       LYS  88  15.212  -6.421 -11.877
  662   1HZ   LYS  88          HZ1       LYS  88  13.618  -7.744 -13.287
  663   2HZ   LYS  88          HZ2       LYS  88  13.033  -6.379 -12.615
  664   3HZ   LYS  88          HZ3       LYS  88  13.400  -6.428 -14.232
  665    H    GLN  89           H        GLN  89  20.235  -3.112 -14.034
  666    HA   GLN  89           HA       GLN  89  21.153  -4.945 -12.002
  667   1HB   GLN  89          HB2       GLN  89  22.571  -4.090 -14.548
  668   2HB   GLN  89          HB3       GLN  89  23.022  -5.444 -13.513
  669   1HG   GLN  89          HG2       GLN  89  20.490  -5.183 -15.181
  670   2HG   GLN  89          HG3       GLN  89  21.833  -6.266 -15.465
  671   1HE2  GLN  89          HE22      GLN  89  19.098  -7.106 -15.282
  672   2HE2  GLN  89          HE21      GLN  89  18.974  -8.162 -13.897
  673    H    ILE  90           H        ILE  90  22.058  -1.590 -12.764
  674    HA   ILE  90           HA       ILE  90  24.360  -1.563 -11.078
  675    HB   ILE  90           HB       ILE  90  22.440   0.705 -11.721
  676   1HG1  ILE  90          HG12      ILE  90  25.269   0.188 -12.766
  677   2HG1  ILE  90          HG13      ILE  90  23.825  -0.278 -13.634
  678   1HG2  ILE  90          HG21      ILE  90  24.185   2.247 -10.858
  679   2HG2  ILE  90          HG22      ILE  90  23.648   1.175  -9.581
  680   3HG2  ILE  90          HG23      ILE  90  25.191   0.860 -10.393
  681   1HD1  ILE  90          HD11      ILE  90  23.089   2.169 -13.579
  682   2HD1  ILE  90          HD12      ILE  90  24.725   2.546 -13.006
  683   3HD1  ILE  90          HD13      ILE  90  24.503   1.783 -14.585
  684    H    ILE  91           H        ILE  91  20.897  -0.961 -10.391
  685    HA   ILE  91           HA       ILE  91  21.105  -0.598  -7.590
  686    HB   ILE  91           HB       ILE  91  18.887  -1.851  -9.239
  687   1HG1  ILE  91          HG12      ILE  91  19.091   0.915  -7.982
  688   2HG1  ILE  91          HG13      ILE  91  19.543   0.591  -9.642
  689   1HG2  ILE  91          HG21      ILE  91  18.725  -0.885  -6.363
  690   2HG2  ILE  91          HG22      ILE  91  17.385  -1.517  -7.336
  691   3HG2  ILE  91          HG23      ILE  91  18.686  -2.593  -6.862
  692   1HD1  ILE  91          HD11      ILE  91  17.299   1.476  -9.628
  693   2HD1  ILE  91          HD12      ILE  91  17.238  -0.224 -10.130
  694   3HD1  ILE  91          HD13      ILE  91  16.753   0.251  -8.486
  695    H    ALA  92           H        ALA  92  20.756  -3.568  -9.493
  696    HA   ALA  92           HA       ALA  92  20.880  -5.370  -7.340
  697   1HB   ALA  92          HB1       ALA  92  20.905  -7.068  -9.034
  698   2HB   ALA  92          HB2       ALA  92  20.110  -5.702  -9.858
  699   3HB   ALA  92          HB3       ALA  92  21.815  -6.058 -10.162
  700    H    SER  93           H        SER  93  23.425  -3.507  -8.448
  701    HA   SER  93           HA       SER  93  25.421  -5.480  -7.461
  702   1HB   SER  93          HB2       SER  93  25.858  -3.189  -9.419
  703   2HB   SER  93          HB3       SER  93  27.023  -4.448  -8.966
  704    HG   SER  93           HG       SER  93  24.634  -4.653 -10.477
  705    H    GLN  94           H        GLN  94  24.090  -2.239  -7.022
  706    HA   GLN  94           HA       GLN  94  26.294  -1.505  -5.216
  707   1HB   GLN  94          HB2       GLN  94  25.091   0.497  -4.700
  708   2HB   GLN  94          HB3       GLN  94  25.329   0.317  -6.435
  709   1HG   GLN  94          HG2       GLN  94  23.023  -0.078  -6.816
  710   2HG   GLN  94          HG3       GLN  94  22.690  -0.408  -5.118
  711   1HE2  GLN  94          HE22      GLN  94  21.386   1.185  -4.356
  712   2HE2  GLN  94          HE21      GLN  94  21.660   2.897  -4.547
  713    H    PHE  95           H        PHE  95  22.933  -2.772  -4.996
  714    HA   PHE  95           HA       PHE  95  23.226  -2.885  -2.032
  715   1HB   PHE  95          HB2       PHE  95  20.940  -3.642  -3.874
  716   2HB   PHE  95          HB3       PHE  95  20.880  -3.635  -2.116
  717    HD1  PHE  95           HD1      PHE  95  19.232  -2.099  -4.341
  718    HD2  PHE  95           HD2      PHE  95  22.371  -0.920  -1.617
  719    HE1  PHE  95           HE1      PHE  95  18.297   0.198  -4.225
  720    HE2  PHE  95           HE2      PHE  95  21.495   1.339  -1.577
  721    HZ   PHE  95           HZ       PHE  95  19.380   1.903  -2.770
  722    H    GLY  96           H        GLY  96  23.802  -4.888  -4.750
  723   1HA   GLY  96          HA2       GLY  96  24.470  -7.200  -4.711
  724   2HA   GLY  96          HA3       GLY  96  23.627  -7.414  -3.168
  725    H    ARG  97           H        ARG  97  22.921  -9.137  -4.974
  726    HA   ARG  97           HA       ARG  97  21.219  -8.389  -7.048
  727   1HB   ARG  97          HB2       ARG  97  22.657 -10.604  -6.452
  728   2HB   ARG  97          HB3       ARG  97  21.099 -11.177  -5.900
  729   1HG   ARG  97          HG2       ARG  97  20.831 -11.842  -8.046
  730   2HG   ARG  97          HG3       ARG  97  20.405 -10.170  -8.386
  731   1HD   ARG  97          HD2       ARG  97  23.135 -11.492  -8.705
  732   2HD   ARG  97          HD3       ARG  97  22.034 -11.000  -9.996
  733    HE   ARG  97           HE       ARG  97  22.881  -8.808  -8.246
  734   1HH1  ARG  97          HH21      ARG  97  23.866 -10.714 -11.085
  735   2HH1  ARG  97          HH22      ARG  97  24.884  -9.477 -11.719
  736   1HH2  ARG  97          HH11      ARG  97  24.222  -7.214  -9.053
  737   2HH2  ARG  97          HH12      ARG  97  25.086  -7.399 -10.530
  738    H    TYR  98           H        TYR  98  20.032  -7.367  -4.523
  739    HA   TYR  98           HA       TYR  98  17.486  -8.711  -4.095
  740   1HB   TYR  98          HB2       TYR  98  18.455  -5.921  -3.360
  741   2HB   TYR  98          HB3       TYR  98  16.970  -6.670  -2.788
  742    HD1  TYR  98           HD1      TYR  98  20.508  -6.316  -2.185
  743    HD2  TYR  98           HD2      TYR  98  17.104  -8.860  -1.444
  744    HE1  TYR  98           HE1      TYR  98  21.721  -7.382  -0.308
  745    HE2  TYR  98           HE2      TYR  98  18.301  -9.930   0.437
  746    HH   TYR  98           HH       TYR  98  20.271 -10.004   1.685
  747    H    ARG  99           H        ARG  99  17.974  -8.253  -6.915
  748    HA   ARG  99           HA       ARG  99  16.540  -5.865  -7.740
  749   1HB   ARG  99          HB2       ARG  99  17.012  -6.564 -10.006
  750   2HB   ARG  99          HB3       ARG  99  18.440  -6.687  -8.987
  751   1HG   ARG  99          HG2       ARG  99  18.092  -9.153  -8.804
  752   2HG   ARG  99          HG3       ARG  99  16.696  -9.007  -9.890
  753   1HD   ARG  99          HD2       ARG  99  18.210  -8.123 -11.662
  754   2HD   ARG  99          HD3       ARG  99  19.588  -8.336 -10.566
  755    HE   ARG  99           HE       ARG  99  17.926 -10.714 -10.973
  756   1HH1  ARG  99          HH21      ARG  99  20.787  -8.987 -12.246
  757   2HH1  ARG  99          HH22      ARG  99  21.493 -10.422 -12.896
  758   1HH2  ARG  99          HH11      ARG  99  18.893 -12.583 -11.837
  759   2HH2  ARG  99          HH12      ARG  99  20.399 -12.496 -12.663
  760    H    ASP 100           H        ASP 100  15.379  -8.763  -6.528
  761    HA   ASP 100           HA       ASP 100  13.385  -9.564  -8.311
  762   1HB   ASP 100          HB2       ASP 100  14.033 -10.853  -6.346
  763   2HB   ASP 100          HB3       ASP 100  13.400  -9.601  -5.273
  764    H    LYS 101           H        LYS 101  13.237  -6.902  -5.885
  765    HA   LYS 101           HA       LYS 101  10.432  -6.397  -6.545
  766   1HB   LYS 101          HB2       LYS 101  10.453  -4.687  -4.917
  767   2HB   LYS 101          HB3       LYS 101  11.272  -6.090  -4.240
  768   1HG   LYS 101          HG2       LYS 101  13.469  -5.002  -4.566
  769   2HG   LYS 101          HG3       LYS 101  12.706  -3.662  -5.420
  770   1HD   LYS 101          HD2       LYS 101  13.111  -2.852  -3.243
  771   2HD   LYS 101          HD3       LYS 101  11.375  -3.152  -3.314
  772   1HE   LYS 101          HE2       LYS 101  11.711  -5.327  -2.134
  773   2HE   LYS 101          HE3       LYS 101  13.457  -5.044  -2.115
  774   1HZ   LYS 101          HZ1       LYS 101  11.441  -3.356  -0.710
  775   2HZ   LYS 101          HZ2       LYS 101  12.468  -4.421  -0.013
  776   3HZ   LYS 101          HZ3       LYS 101  13.034  -3.059  -0.734
  777    H    VAL 102           H        VAL 102  13.161  -5.766  -8.343
  778    HA   VAL 102           HA       VAL 102  12.377  -3.019  -9.058
  779    HB   VAL 102           HB       VAL 102  14.797  -4.547 -10.055
  780   1HG1  VAL 102          HG11      VAL 102  14.128  -1.568  -9.916
  781   2HG1  VAL 102          HG12      VAL 102  15.672  -2.234 -10.471
  782   3HG1  VAL 102          HG13      VAL 102  14.195  -2.552 -11.383
  783   1HG2  VAL 102          HG21      VAL 102  14.975  -4.335  -7.543
  784   2HG2  VAL 102          HG22      VAL 102  16.217  -3.488  -8.478
  785   3HG2  VAL 102          HG23      VAL 102  14.882  -2.578  -7.739
  786    H    PHE 103           H        PHE 103  11.470  -2.609 -11.057
  787    HA   PHE 103           HA       PHE 103  11.620  -4.691 -13.155
  788   1HB   PHE 103          HB2       PHE 103   9.152  -3.087 -12.392
  789   2HB   PHE 103          HB3       PHE 103   9.337  -4.053 -13.854
  790    HD1  PHE 103           HD1      PHE 103   9.103  -4.250 -10.132
  791    HD2  PHE 103           HD2      PHE 103   9.027  -6.438 -13.851
  792    HE1  PHE 103           HE1      PHE 103   8.257  -6.257  -8.939
  793    HE2  PHE 103           HE2      PHE 103   8.172  -8.435 -12.653
  794    HZ   PHE 103           HZ       PHE 103   7.784  -8.349 -10.197
  795    H    THR 104           H        THR 104  11.899  -3.813 -15.189
  796    HA   THR 104           HA       THR 104  12.863  -1.074 -15.279
  797    HB   THR 104           HB       THR 104  12.406  -2.714 -17.762
  798    HG1  THR 104           HG1      THR 104  13.381  -4.171 -16.180
  799   1HG2  THR 104          HG21      THR 104  14.690  -0.961 -16.783
  800   2HG2  THR 104          HG22      THR 104  14.599  -1.749 -18.377
  801   3HG2  THR 104          HG23      THR 104  13.443  -0.475 -17.953
  802    H    LEU 105           H        LEU 105  11.893   0.602 -16.579
  803    HA   LEU 105           HA       LEU 105   9.265   0.984 -16.046
  804   1HB   LEU 105          HB2       LEU 105  10.903   2.750 -16.515
  805   2HB   LEU 105          HB3       LEU 105  10.801   2.381 -18.243
  806    HG   LEU 105           HG       LEU 105   8.397   3.035 -18.218
  807   1HD1  LEU 105          HD11      LEU 105   7.718   2.572 -15.921
  808   2HD1  LEU 105          HD12      LEU 105   8.900   3.751 -15.294
  809   3HD1  LEU 105          HD13      LEU 105   7.498   4.289 -16.237
  810   1HD2  LEU 105          HD21      LEU 105   8.745   5.434 -17.983
  811   2HD2  LEU 105          HD22      LEU 105  10.168   5.177 -16.962
  812   3HD2  LEU 105          HD23      LEU 105  10.212   4.712 -18.672
  813    H    LYS 106           H        LYS 106  10.432  -0.166 -19.267
  814    HA   LYS 106           HA       LYS 106   7.630  -0.585 -20.091
  815   1HB   LYS 106          HB2       LYS 106  10.275  -1.425 -21.305
  816   2HB   LYS 106          HB3       LYS 106   8.730  -1.864 -22.002
  817   1HG   LYS 106          HG2       LYS 106   9.456   1.039 -21.485
  818   2HG   LYS 106          HG3       LYS 106   9.906   0.196 -22.970
  819   1HD   LYS 106          HD2       LYS 106   7.612  -0.212 -23.573
  820   2HD   LYS 106          HD3       LYS 106   7.026   0.454 -22.027
  821   1HE   LYS 106          HE2       LYS 106   7.972   2.621 -22.540
  822   2HE   LYS 106          HE3       LYS 106   8.721   2.026 -24.019
  823   1HZ   LYS 106          HZ1       LYS 106   6.675   3.271 -24.437
  824   2HZ   LYS 106          HZ2       LYS 106   6.540   1.729 -24.973
  825   3HZ   LYS 106          HZ3       LYS 106   5.790   2.184 -23.589
  826    H    GLU 107           H        GLU 107  10.231  -2.593 -18.666
  827    HA   GLU 107           HA       GLU 107   9.207  -5.121 -19.193
  828   1HB   GLU 107          HB2       GLU 107  11.424  -4.686 -18.222
  829   2HB   GLU 107          HB3       GLU 107  10.656  -4.125 -16.733
  830   1HG   GLU 107          HG2       GLU 107   9.744  -6.439 -16.387
  831   2HG   GLU 107          HG3       GLU 107  10.674  -6.959 -17.799
  832    H    TYR 108           H        TYR 108   8.340  -2.945 -16.476
  833    HA   TYR 108           HA       TYR 108   6.641  -4.767 -15.114
  834   1HB   TYR 108          HB2       TYR 108   7.632  -2.592 -14.253
  835   2HB   TYR 108          HB3       TYR 108   6.466  -1.727 -15.226
  836    HD1  TYR 108           HD1      TYR 108   4.443  -1.093 -14.191
  837    HD2  TYR 108           HD2      TYR 108   6.604  -4.486 -12.654
  838    HE1  TYR 108           HE1      TYR 108   2.785  -1.310 -12.359
  839    HE2  TYR 108           HE2      TYR 108   4.964  -4.709 -10.827
  840    HH   TYR 108           HH       TYR 108   2.160  -2.507 -10.463
  841    H    VAL 109           H        VAL 109   6.097  -3.089 -18.078
  842    HA   VAL 109           HA       VAL 109   3.133  -3.266 -17.788
  843    HB   VAL 109           HB       VAL 109   4.756  -1.312 -19.468
  844   1HG1  VAL 109          HG11      VAL 109   2.660   0.001 -19.406
  845   2HG1  VAL 109          HG12      VAL 109   2.397  -1.583 -20.144
  846   3HG1  VAL 109          HG13      VAL 109   1.880  -1.297 -18.469
  847   1HG2  VAL 109          HG21      VAL 109   4.226   0.336 -17.640
  848   2HG2  VAL 109          HG22      VAL 109   3.750  -1.037 -16.614
  849   3HG2  VAL 109          HG23      VAL 109   5.423  -0.855 -17.206
  850    H    THR 110           H        THR 110   5.651  -3.231 -20.442
  851    HA   THR 110           HA       THR 110   3.735  -4.487 -22.262
  852    HB   THR 110           HB       THR 110   5.533  -4.143 -23.895
  853    HG1  THR 110           HG1      THR 110   7.501  -3.389 -23.265
  854   1HG2  THR 110          HG21      THR 110   5.344  -1.639 -22.130
  855   2HG2  THR 110          HG22      THR 110   5.664  -1.720 -23.872
  856   3HG2  THR 110          HG23      THR 110   4.069  -2.166 -23.247
  857    H    GLY 111           H        GLY 111   6.190  -5.449 -20.038
  858   1HA   GLY 111          HA2       GLY 111   6.708  -7.630 -19.374
  859   2HA   GLY 111          HA3       GLY 111   6.017  -8.278 -20.866
  860    H    SER 112           H        SER 112   8.133  -5.600 -21.525
  861    HA   SER 112           HA       SER 112  10.487  -7.359 -21.922
  862   1HB   SER 112          HB2       SER 112   9.258  -5.491 -23.996
  863   2HB   SER 112          HB3       SER 112  10.730  -6.458 -24.196
  864    HG   SER 112           HG       SER 112   8.884  -7.443 -25.143
  865    H    HIS 113           H        HIS 113  12.480  -6.240 -21.771
  866    HA   HIS 113           HA       HIS 113  12.513  -3.909 -20.160
  867   1HB   HIS 113          HB2       HIS 113  14.714  -5.113 -21.885
  868   2HB   HIS 113          HB3       HIS 113  14.948  -3.878 -20.655
  869    HD1  HIS 113           HD1      HIS 113  14.372  -4.740 -18.009
  870    HD2  HIS 113           HD2      HIS 113  14.739  -7.617 -21.073
  871    HE1  HIS 113           HE1      HIS 113  14.657  -6.984 -16.861
  872    H    GLY 114           H        GLY 114  12.974  -1.727 -20.635
  873   1HA   GLY 114          HA2       GLY 114  13.710  -0.470 -22.951
  874   2HA   GLY 114          HA3       GLY 114  11.976  -0.777 -23.161
  875    H    ASP 115           H        ASP 115  12.339   1.757 -23.126
  876    HA   ASP 115           HA       ASP 115  11.774   2.827 -20.451
  877   1HB   ASP 115          HB2       ASP 115  14.240   2.897 -20.786
  878   2HB   ASP 115          HB3       ASP 115  14.003   3.794 -22.288
  879    H    VAL 116           H        VAL 116  11.288   5.307 -20.784
  880    HA   VAL 116           HA       VAL 116   9.429   5.565 -23.116
  881    HB   VAL 116           HB       VAL 116   9.056   6.456 -20.223
  882   1HG1  VAL 116          HG11      VAL 116   7.142   6.544 -22.595
  883   2HG1  VAL 116          HG12      VAL 116   6.674   6.838 -20.910
  884   3HG1  VAL 116          HG13      VAL 116   7.778   7.945 -21.716
  885   1HG2  VAL 116          HG21      VAL 116   7.547   4.287 -21.713
  886   2HG2  VAL 116          HG22      VAL 116   8.851   3.944 -20.543
  887   3HG2  VAL 116          HG23      VAL 116   7.372   4.746 -20.016
  888    H    LEU 117           H        LEU 117  11.452   6.554 -24.079
  889    HA   LEU 117           HA       LEU 117  12.597   8.308 -24.901
  890   1HB   LEU 117          HB2       LEU 117  10.139   8.823 -25.331
  891   2HB   LEU 117          HB3       LEU 117  10.239  10.009 -24.042
  892    HG   LEU 117           HG       LEU 117  11.795   9.999 -26.664
  893   1HD1  LEU 117          HD11      LEU 117   9.611  11.852 -25.635
  894   2HD1  LEU 117          HD12      LEU 117  10.426  11.961 -27.210
  895   3HD1  LEU 117          HD13      LEU 117   9.396  10.569 -26.844
  896   1HD2  LEU 117          HD21      LEU 117  13.281  11.067 -25.124
  897   2HD2  LEU 117          HD22      LEU 117  12.506  12.313 -26.093
  898   3HD2  LEU 117          HD23      LEU 117  11.960  12.037 -24.427
  899    H    ASP 118           H        ASP 118  14.492   8.624 -23.639
  900    HA   ASP 118           HA       ASP 118  14.498   9.957 -21.063
  901   1HB   ASP 118          HB2       ASP 118  16.360   8.587 -21.568
  902   2HB   ASP 118          HB3       ASP 118  16.651   9.412 -23.105
  903    HA   PRO 119           HA       PRO 119  13.860  13.852 -23.263
  904   1HB   PRO 119          HB2       PRO 119  12.627  15.327 -21.395
  905   2HB   PRO 119          HB3       PRO 119  11.853  13.837 -21.991
  906   1HG   PRO 119          HG2       PRO 119  13.512  14.179 -19.475
  907   2HG   PRO 119          HG3       PRO 119  11.897  13.421 -19.624
  908   1HD   PRO 119          HD2       PRO 119  14.306  12.021 -19.682
  909   2HD   PRO 119          HD3       PRO 119  12.814  11.459 -20.463
  910    H    PHE 120           H        PHE 120  16.140  13.246 -20.745
  911    HA   PHE 120           HA       PHE 120  16.538  15.779 -19.675
  912   1HB   PHE 120          HB2       PHE 120  17.402  13.639 -18.766
  913   2HB   PHE 120          HB3       PHE 120  18.644  13.624 -20.015
  914    HD1  PHE 120           HD1      PHE 120  17.298  15.605 -17.118
  915    HD2  PHE 120           HD2      PHE 120  20.680  14.880 -19.705
  916    HE1  PHE 120           HE1      PHE 120  18.715  17.023 -15.664
  917    HE2  PHE 120           HE2      PHE 120  22.090  16.311 -18.247
  918    HZ   PHE 120           HZ       PHE 120  21.114  17.382 -16.224
  919    H    GLY 121           H        GLY 121  17.276  17.630 -20.447
  920   1HA   GLY 121          HA2       GLY 121  18.767  19.083 -21.470
  921   2HA   GLY 121          HA3       GLY 121  19.421  17.767 -22.454
  922    H    GLY 122           H        GLY 122  16.085  17.417 -22.699
  923   1HA   GLY 122          HA2       GLY 122  16.036  18.535 -25.382
  924   2HA   GLY 122          HA3       GLY 122  14.773  17.623 -24.548
  925    H    SER 123           H        SER 123  14.064  19.751 -26.075
  926    HA   SER 123           HA       SER 123  13.629  22.176 -24.537
  927   1HB   SER 123          HB2       SER 123  12.221  21.139 -27.038
  928   2HB   SER 123          HB3       SER 123  12.284  22.815 -26.460
  929    HG   SER 123           HG       SER 123  13.789  22.418 -28.143
  930    H    ILE 124           H        ILE 124  11.252  22.853 -24.150
  931    HA   ILE 124           HA       ILE 124   9.919  21.057 -22.469
  932    HB   ILE 124           HB       ILE 124   9.572  23.421 -22.320
  933   1HG1  ILE 124          HG12      ILE 124   7.144  23.639 -22.162
  934   2HG1  ILE 124          HG13      ILE 124   6.903  22.210 -23.160
  935   1HG2  ILE 124          HG21      ILE 124   8.197  23.369 -25.037
  936   2HG2  ILE 124          HG22      ILE 124   8.311  24.758 -23.946
  937   3HG2  ILE 124          HG23      ILE 124   9.774  24.111 -24.678
  938   1HD1  ILE 124          HD11      ILE 124   6.560  21.792 -20.739
  939   2HD1  ILE 124          HD12      ILE 124   7.848  20.779 -21.395
  940   3HD1  ILE 124          HD13      ILE 124   8.258  22.217 -20.425
  941    H    ASP 125           H        ASP 125   9.635  21.433 -25.966
  942    HA   ASP 125           HA       ASP 125   7.313  19.857 -26.317
  943   1HB   ASP 125          HB2       ASP 125   8.288  21.201 -28.128
  944   2HB   ASP 125          HB3       ASP 125   9.704  20.141 -28.170
  945    H    ILE 126           H        ILE 126  10.683  18.876 -25.811
  946    HA   ILE 126           HA       ILE 126  10.266  16.085 -26.509
  947    HB   ILE 126           HB       ILE 126  12.431  17.321 -24.776
  948   1HG1  ILE 126          HG12      ILE 126  12.514  18.430 -26.934
  949   2HG1  ILE 126          HG13      ILE 126  13.863  17.321 -26.783
  950   1HG2  ILE 126          HG21      ILE 126  12.309  14.659 -26.245
  951   2HG2  ILE 126          HG22      ILE 126  13.743  15.312 -25.419
  952   3HG2  ILE 126          HG23      ILE 126  12.290  14.907 -24.496
  953   1HD1  ILE 126          HD11      ILE 126  12.929  17.246 -29.039
  954   2HD1  ILE 126          HD12      ILE 126  12.692  15.678 -28.252
  955   3HD1  ILE 126          HD13      ILE 126  11.332  16.814 -28.413
  956    H    TYR 127           H        TYR 127  10.245  18.017 -23.514
  957    HA   TYR 127           HA       TYR 127   9.678  15.807 -21.794
  958   1HB   TYR 127          HB2       TYR 127   9.445  18.820 -21.551
  959   2HB   TYR 127          HB3       TYR 127   8.845  17.758 -20.288
  960    HD1  TYR 127           HD1      TYR 127  10.276  16.335 -19.024
  961    HD2  TYR 127           HD2      TYR 127  11.952  18.937 -21.984
  962    HE1  TYR 127           HE1      TYR 127  12.525  16.083 -17.955
  963    HE2  TYR 127           HE2      TYR 127  14.183  18.709 -20.957
  964    HH   TYR 127           HH       TYR 127  15.365  17.948 -19.101
  965    H    LYS 128           H        LYS 128   7.633  18.048 -23.610
  966    HA   LYS 128           HA       LYS 128   5.159  17.090 -22.560
  967   1HB   LYS 128          HB2       LYS 128   5.309  19.253 -23.551
  968   2HB   LYS 128          HB3       LYS 128   5.871  18.612 -25.085
  969   1HG   LYS 128          HG2       LYS 128   3.195  17.618 -24.149
  970   2HG   LYS 128          HG3       LYS 128   3.301  19.335 -24.562
  971   1HD   LYS 128          HD2       LYS 128   4.204  18.808 -26.774
  972   2HD   LYS 128          HD3       LYS 128   4.154  17.068 -26.413
  973   1HE   LYS 128          HE2       LYS 128   1.692  17.197 -26.113
  974   2HE   LYS 128          HE3       LYS 128   1.735  18.934 -26.443
  975   1HZ   LYS 128          HZ1       LYS 128   2.531  18.424 -28.680
  976   2HZ   LYS 128          HZ2       LYS 128   2.482  16.815 -28.378
  977   3HZ   LYS 128          HZ3       LYS 128   1.107  17.687 -28.403
  978    H    GLN 129           H        GLN 129   7.086  16.027 -25.390
  979    HA   GLN 129           HA       GLN 129   5.170  14.078 -26.238
  980   1HB   GLN 129          HB2       GLN 129   8.221  14.156 -26.498
  981   2HB   GLN 129          HB3       GLN 129   7.228  12.877 -27.188
  982   1HG   GLN 129          HG2       GLN 129   6.052  14.512 -28.611
  983   2HG   GLN 129          HG3       GLN 129   7.018  15.817 -27.930
  984   1HE2  GLN 129          HE22      GLN 129   8.608  16.460 -29.433
  985   2HE2  GLN 129          HE21      GLN 129   9.529  15.324 -30.395
  986    H    THR 130           H        THR 130   7.881  13.973 -23.972
  987    HA   THR 130           HA       THR 130   7.695  11.239 -23.317
  988    HB   THR 130           HB       THR 130   8.709  13.587 -21.638
  989    HG1  THR 130           HG1      THR 130   9.760  13.575 -23.572
  990   1HG2  THR 130          HG21      THR 130   9.351  10.623 -21.499
  991   2HG2  THR 130          HG22      THR 130  10.265  11.899 -20.666
  992   3HG2  THR 130          HG23      THR 130   8.572  11.601 -20.239
  993    H    ARG 131           H        ARG 131   6.149  14.079 -21.771
  994    HA   ARG 131           HA       ARG 131   5.130  12.542 -19.614
  995   1HB   ARG 131          HB2       ARG 131   4.065  14.432 -18.833
  996   2HB   ARG 131          HB3       ARG 131   5.339  15.151 -19.812
  997   1HG   ARG 131          HG2       ARG 131   3.599  15.275 -21.699
  998   2HG   ARG 131          HG3       ARG 131   2.389  14.800 -20.508
  999   1HD   ARG 131          HD2       ARG 131   2.908  16.851 -19.204
 1000   2HD   ARG 131          HD3       ARG 131   4.090  17.313 -20.449
 1001    HE   ARG 131           HE       ARG 131   1.869  16.860 -21.937
 1002   1HH1  ARG 131          HH21      ARG 131   2.392  19.073 -19.107
 1003   2HH1  ARG 131          HH22      ARG 131   1.141  20.139 -19.715
 1004   1HH2  ARG 131          HH11      ARG 131   0.246  18.440 -22.539
 1005   2HH2  ARG 131          HH12      ARG 131   0.046  19.835 -21.496
 1006    H    ASP 132           H        ASP 132   3.876  13.134 -22.868
 1007    HA   ASP 132           HA       ASP 132   1.235  12.219 -22.282
 1008   1HB   ASP 132          HB2       ASP 132   1.702  13.615 -24.241
 1009   2HB   ASP 132          HB3       ASP 132   2.766  12.374 -24.909
 1010    H    GLU 133           H        GLU 133   4.183  10.557 -23.451
 1011    HA   GLU 133           HA       GLU 133   2.725   8.063 -23.763
 1012   1HB   GLU 133          HB2       GLU 133   4.814   8.640 -25.062
 1013   2HB   GLU 133          HB3       GLU 133   5.745   8.397 -23.571
 1014   1HG   GLU 133          HG2       GLU 133   4.811   6.061 -23.430
 1015   2HG   GLU 133          HG3       GLU 133   3.944   6.333 -24.940
 1016    H    LEU 134           H        LEU 134   4.727   9.611 -21.311
 1017    HA   LEU 134           HA       LEU 134   4.961   7.431 -19.548
 1018   1HB   LEU 134          HB2       LEU 134   6.289   9.611 -19.564
 1019   2HB   LEU 134          HB3       LEU 134   4.890  10.377 -18.806
 1020    HG   LEU 134           HG       LEU 134   5.178   8.754 -16.870
 1021   1HD1  LEU 134          HD11      LEU 134   7.412   7.630 -16.687
 1022   2HD1  LEU 134          HD12      LEU 134   6.403   6.940 -17.958
 1023   3HD1  LEU 134          HD13      LEU 134   7.726   8.045 -18.389
 1024   1HD2  LEU 134          HD21      LEU 134   7.500  10.586 -17.630
 1025   2HD2  LEU 134          HD22      LEU 134   6.068  11.034 -16.717
 1026   3HD2  LEU 134          HD23      LEU 134   7.241   9.920 -16.004
 1027    H    GLU 135           H        GLU 135   2.427   9.981 -19.776
 1028    HA   GLU 135           HA       GLU 135   1.110   9.064 -17.432
 1029   1HB   GLU 135          HB2       GLU 135   0.798  11.328 -18.598
 1030   2HB   GLU 135          HB3       GLU 135  -0.280  10.490 -19.732
 1031   1HG   GLU 135          HG2       GLU 135  -1.700   9.780 -17.807
 1032   2HG   GLU 135          HG3       GLU 135  -0.553  10.539 -16.692
 1033    H    GLU 136           H        GLU 136   0.801   8.096 -20.835
 1034    HA   GLU 136           HA       GLU 136  -1.504   6.459 -20.406
 1035   1HB   GLU 136          HB2       GLU 136  -0.782   7.298 -22.631
 1036   2HB   GLU 136          HB3       GLU 136   0.646   6.256 -22.562
 1037   1HG   GLU 136          HG2       GLU 136  -0.800   4.250 -22.501
 1038   2HG   GLU 136          HG3       GLU 136  -2.240   5.270 -22.464
 1039    H    LEU 137           H        LEU 137   1.993   5.816 -20.340
 1040    HA   LEU 137           HA       LEU 137   1.757   3.007 -19.834
 1041   1HB   LEU 137          HB2       LEU 137   3.782   4.102 -20.725
 1042   2HB   LEU 137          HB3       LEU 137   4.023   4.936 -19.192
 1043    HG   LEU 137           HG       LEU 137   3.637   2.084 -18.724
 1044   1HD1  LEU 137          HD11      LEU 137   5.912   2.732 -20.629
 1045   2HD1  LEU 137          HD12      LEU 137   5.673   1.191 -19.776
 1046   3HD1  LEU 137          HD13      LEU 137   4.491   1.720 -20.984
 1047   1HD2  LEU 137          HD21      LEU 137   5.809   2.276 -17.577
 1048   2HD2  LEU 137          HD22      LEU 137   6.051   3.883 -18.294
 1049   3HD2  LEU 137          HD23      LEU 137   4.731   3.607 -17.145
 1050    H    LEU 138           H        LEU 138   2.004   5.856 -17.719
 1051    HA   LEU 138           HA       LEU 138   2.112   4.416 -15.254
 1052   1HB   LEU 138          HB2       LEU 138   1.353   7.257 -15.963
 1053   2HB   LEU 138          HB3       LEU 138   1.258   6.658 -14.334
 1054    HG   LEU 138           HG       LEU 138   3.430   7.923 -15.478
 1055   1HD1  LEU 138          HD11      LEU 138   2.874   7.821 -13.127
 1056   2HD1  LEU 138          HD12      LEU 138   3.416   6.125 -13.038
 1057   3HD1  LEU 138          HD13      LEU 138   4.571   7.416 -13.380
 1058   1HD2  LEU 138          HD21      LEU 138   5.351   6.435 -15.326
 1059   2HD2  LEU 138          HD22      LEU 138   4.305   5.028 -15.093
 1060   3HD2  LEU 138          HD23      LEU 138   4.303   5.906 -16.639
 1061    H    ARG 139           H        ARG 139  -0.589   5.411 -17.336
 1062    HA   ARG 139           HA       ARG 139  -2.582   4.777 -15.382
 1063   1HB   ARG 139          HB2       ARG 139  -2.822   6.006 -17.730
 1064   2HB   ARG 139          HB3       ARG 139  -3.050   4.371 -18.349
 1065   1HG   ARG 139          HG2       ARG 139  -5.230   5.210 -17.916
 1066   2HG   ARG 139          HG3       ARG 139  -4.897   4.102 -16.573
 1067   1HD   ARG 139          HD2       ARG 139  -4.275   6.036 -15.143
 1068   2HD   ARG 139          HD3       ARG 139  -4.551   7.145 -16.481
 1069    HE   ARG 139           HE       ARG 139  -6.566   5.699 -14.846
 1070   1HH1  ARG 139          HH21      ARG 139  -6.103   7.818 -17.684
 1071   2HH1  ARG 139          HH22      ARG 139  -7.727   8.397 -17.641
 1072   1HH2  ARG 139          HH11      ARG 139  -8.565   6.382 -14.808
 1073   2HH2  ARG 139          HH12      ARG 139  -9.226   7.544 -15.948
 1074    H    GLN 140           H        GLN 140  -0.810   2.803 -17.763
 1075    HA   GLN 140           HA       GLN 140  -2.239   0.419 -17.045
 1076   1HB   GLN 140          HB2       GLN 140   0.473   0.642 -18.388
 1077   2HB   GLN 140          HB3       GLN 140  -0.503  -0.828 -18.202
 1078   1HG   GLN 140          HG2       GLN 140  -2.350   0.359 -19.496
 1079   2HG   GLN 140          HG3       GLN 140  -1.167   1.611 -19.888
 1080   1HE2  GLN 140          HE22      GLN 140   0.848   0.881 -21.107
 1081   2HE2  GLN 140          HE21      GLN 140   0.751  -0.546 -22.105
 1082    H    LEU 141           H        LEU 141   0.637   2.040 -15.663
 1083    HA   LEU 141           HA       LEU 141   1.297  -0.057 -13.847
 1084   1HB   LEU 141          HB2       LEU 141   1.553   2.945 -13.615
 1085   2HB   LEU 141          HB3       LEU 141   1.765   1.956 -12.191
 1086    HG   LEU 141           HG       LEU 141   3.640   0.802 -13.120
 1087   1HD1  LEU 141          HD11      LEU 141   4.659   1.383 -15.249
 1088   2HD1  LEU 141          HD12      LEU 141   3.002   0.829 -15.531
 1089   3HD1  LEU 141          HD13      LEU 141   3.374   2.560 -15.584
 1090   1HD2  LEU 141          HD21      LEU 141   5.136   2.864 -13.419
 1091   2HD2  LEU 141          HD22      LEU 141   3.668   3.834 -13.264
 1092   3HD2  LEU 141          HD23      LEU 141   4.170   2.787 -11.927
 1093    H    ALA 142           H        ALA 142  -1.166   2.518 -13.570
 1094    HA   ALA 142           HA       ALA 142  -2.083   1.705 -10.997
 1095   1HB   ALA 142          HB1       ALA 142  -3.568   3.182 -13.215
 1096   2HB   ALA 142          HB2       ALA 142  -4.126   3.004 -11.547
 1097   3HB   ALA 142          HB3       ALA 142  -2.626   3.892 -11.880
 1098    H    LYS 143           H        LYS 143  -3.057   0.750 -14.272
 1099    HA   LYS 143           HA       LYS 143  -5.130  -1.049 -13.580
 1100   1HB   LYS 143          HB2       LYS 143  -4.639  -0.253 -15.869
 1101   2HB   LYS 143          HB3       LYS 143  -3.142  -1.193 -15.878
 1102   1HG   LYS 143          HG2       LYS 143  -4.405  -3.281 -15.669
 1103   2HG   LYS 143          HG3       LYS 143  -5.927  -2.379 -15.705
 1104   1HD   LYS 143          HD2       LYS 143  -3.796  -2.385 -17.901
 1105   2HD   LYS 143          HD3       LYS 143  -5.230  -3.403 -17.918
 1106   1HE   LYS 143          HE2       LYS 143  -5.255  -0.345 -17.943
 1107   2HE   LYS 143          HE3       LYS 143  -5.400  -1.374 -19.366
 1108   1HZ   LYS 143          HZ1       LYS 143  -7.343  -1.315 -17.129
 1109   2HZ   LYS 143          HZ2       LYS 143  -7.560  -0.669 -18.606
 1110   3HZ   LYS 143          HZ3       LYS 143  -7.448  -2.283 -18.445
 1111    H    GLN 144           H        GLN 144  -1.602  -1.621 -13.863
 1112    HA   GLN 144           HA       GLN 144  -1.657  -4.364 -13.189
 1113   1HB   GLN 144          HB2       GLN 144   0.483  -2.236 -12.869
 1114   2HB   GLN 144          HB3       GLN 144   0.755  -3.877 -12.332
 1115   1HG   GLN 144          HG2       GLN 144  -0.064  -3.257 -15.196
 1116   2HG   GLN 144          HG3       GLN 144   1.607  -3.217 -14.645
 1117   1HE2  GLN 144          HE22      GLN 144   2.603  -5.052 -15.465
 1118   2HE2  GLN 144          HE21      GLN 144   1.860  -6.635 -15.509
 1119    H    LEU 145           H        LEU 145  -1.398  -1.510 -10.963
 1120    HA   LEU 145           HA       LEU 145  -1.220  -3.209  -8.639
 1121   1HB   LEU 145          HB2       LEU 145  -2.222  -0.336  -8.840
 1122   2HB   LEU 145          HB3       LEU 145  -1.830  -1.188  -7.349
 1123    HG   LEU 145           HG       LEU 145   0.100  -0.351  -9.538
 1124   1HD1  LEU 145          HD11      LEU 145   0.993   1.117  -7.886
 1125   2HD1  LEU 145          HD12      LEU 145  -0.759   1.341  -7.856
 1126   3HD1  LEU 145          HD13      LEU 145   0.019   0.378  -6.590
 1127   1HD2  LEU 145          HD21      LEU 145   0.705  -1.970  -7.034
 1128   2HD2  LEU 145          HD22      LEU 145   0.855  -2.551  -8.701
 1129   3HD2  LEU 145          HD23      LEU 145   1.914  -1.260  -8.128
 1130    H    LYS 146           H        LYS 146  -4.035  -1.656 -10.250
 1131    HA   LYS 146           HA       LYS 146  -5.916  -2.545  -8.278
 1132   1HB   LYS 146          HB2       LYS 146  -6.051  -1.400 -11.052
 1133   2HB   LYS 146          HB3       LYS 146  -7.469  -2.302 -10.484
 1134   1HG   LYS 146          HG2       LYS 146  -7.539  -0.895  -8.439
 1135   2HG   LYS 146          HG3       LYS 146  -6.161   0.039  -9.045
 1136   1HD   LYS 146          HD2       LYS 146  -7.485   0.767 -10.998
 1137   2HD   LYS 146          HD3       LYS 146  -8.851  -0.240 -10.461
 1138   1HE   LYS 146          HE2       LYS 146  -8.941   1.074  -8.327
 1139   2HE   LYS 146          HE3       LYS 146  -7.641   2.109  -8.933
 1140   1HZ   LYS 146          HZ1       LYS 146  -9.113   2.757 -10.769
 1141   2HZ   LYS 146          HZ2       LYS 146 -10.331   1.839 -10.143
 1142   3HZ   LYS 146          HZ3       LYS 146  -9.758   3.132  -9.307
 1143    H    LYS 147           H        LYS 147  -4.614  -4.158 -11.219
 1144    HA   LYS 147           HA       LYS 147  -6.245  -6.524 -10.989
 1145   1HB   LYS 147          HB2       LYS 147  -3.439  -6.052 -12.083
 1146   2HB   LYS 147          HB3       LYS 147  -4.235  -7.621 -12.119
 1147   1HG   LYS 147          HG2       LYS 147  -5.883  -6.911 -13.665
 1148   2HG   LYS 147          HG3       LYS 147  -5.550  -5.199 -13.387
 1149   1HD   LYS 147          HD2       LYS 147  -4.610  -5.907 -15.540
 1150   2HD   LYS 147          HD3       LYS 147  -3.342  -5.397 -14.422
 1151   1HE   LYS 147          HE2       LYS 147  -3.051  -7.907 -13.848
 1152   2HE   LYS 147          HE3       LYS 147  -4.091  -8.236 -15.236
 1153   1HZ   LYS 147          HZ1       LYS 147  -2.432  -7.027 -16.602
 1154   2HZ   LYS 147          HZ2       LYS 147  -1.467  -6.846 -15.274
 1155   3HZ   LYS 147          HZ3       LYS 147  -1.789  -8.332 -15.868
 1156    H    ASP 148           H        ASP 148  -2.899  -5.791  -9.819
 1157    HA   ASP 148           HA       ASP 148  -3.153  -7.481  -7.449
 1158   1HB   ASP 148          HB2       ASP 148  -2.863  -9.185  -9.228
 1159   2HB   ASP 148          HB3       ASP 148  -1.457  -8.315  -9.847
 1160    H    ARG 149           H        ARG 149  -2.160  -5.955  -6.102
 1161    HA   ARG 149           HA       ARG 149   0.282  -4.539  -6.796
 1162   1HB   ARG 149          HB2       ARG 149  -0.818  -5.439  -4.088
 1163   2HB   ARG 149          HB3       ARG 149   0.651  -4.487  -4.313
 1164   1HG   ARG 149          HG2       ARG 149  -0.728  -2.688  -5.417
 1165   2HG   ARG 149          HG3       ARG 149  -2.185  -3.611  -5.004
 1166   1HD   ARG 149          HD2       ARG 149  -1.498  -3.529  -2.585
 1167   2HD   ARG 149          HD3       ARG 149  -0.061  -2.624  -3.043
 1168    HE   ARG 149           HE       ARG 149  -1.294  -0.696  -3.231
 1169   1HH1  ARG 149          HH21      ARG 149  -3.596  -3.400  -3.108
 1170   2HH1  ARG 149          HH22      ARG 149  -4.958  -2.402  -2.762
 1171   1HH2  ARG 149          HH12      ARG 149  -3.056   0.607  -2.647
 1172   2HH2  ARG 149          HH11      ARG 149  -4.653  -0.072  -2.530
 1173    H    ARG 150           H        ARG 150   2.282  -5.411  -7.013
 1174    HA   ARG 150           HA       ARG 150   2.680  -8.186  -7.211
 1175   1HB   ARG 150          HB2       ARG 150   4.801  -6.069  -6.651
 1176   2HB   ARG 150          HB3       ARG 150   5.083  -7.686  -7.282
 1177   1HG   ARG 150          HG2       ARG 150   3.689  -5.385  -8.709
 1178   2HG   ARG 150          HG3       ARG 150   5.261  -6.096  -9.049
 1179   1HD   ARG 150          HD2       ARG 150   4.232  -7.285 -10.615
 1180   2HD   ARG 150          HD3       ARG 150   3.664  -8.318  -9.315
 1181    HE   ARG 150           HE       ARG 150   1.584  -6.876  -9.255
 1182   1HH1  ARG 150          HH21      ARG 150   3.435  -7.158 -12.287
 1183   2HH1  ARG 150          HH22      ARG 150   2.095  -6.721 -13.285
 1184   1HH2  ARG 150          HH11      ARG 150  -0.142  -6.277 -10.572
 1185   2HH2  ARG 150          HH12      ARG 150  -0.012  -6.369 -12.314
  Start of MODEL   18
    1   1H    MET   1           H1       MET   1   1.294   0.207  -0.381
    2   2H    MET   1           H2       MET   1   1.415  -1.426  -0.526
    3   3H    MET   1           H3       MET   1   2.536  -0.582   0.322
    4    HA   MET   1           HA       MET   1   3.462  -1.199  -1.782
    5   1HB   MET   1          HB2       MET   1   1.518  -1.438  -3.151
    6   2HB   MET   1          HB3       MET   1   1.008   0.229  -2.875
    7   1HG   MET   1          HG2       MET   1   1.987  -0.135  -5.131
    8   2HG   MET   1          HG3       MET   1   2.805   1.105  -4.199
    9   1HE   MET   1          HE1       MET   1   4.514  -2.900  -5.635
   10   2HE   MET   1          HE2       MET   1   2.990  -2.820  -4.728
   11   3HE   MET   1          HE3       MET   1   3.137  -1.998  -6.306
   12    H    ASP   2           H        ASP   2   5.263   0.006  -2.165
   13    HA   ASP   2           HA       ASP   2   5.122   2.923  -2.082
   14   1HB   ASP   2          HB2       ASP   2   5.743   2.412   0.183
   15   2HB   ASP   2          HB3       ASP   2   6.978   1.281  -0.364
   16    H    ILE   3           H        ILE   3   5.914   3.460  -4.059
   17    HA   ILE   3           HA       ILE   3   7.746   1.583  -5.430
   18    HB   ILE   3           HB       ILE   3   6.186   3.862  -6.670
   19   1HG1  ILE   3          HG12      ILE   3   5.308   0.959  -6.515
   20   2HG1  ILE   3          HG13      ILE   3   4.582   2.288  -5.614
   21   1HG2  ILE   3          HG21      ILE   3   8.070   3.099  -8.031
   22   2HG2  ILE   3          HG22      ILE   3   7.508   1.421  -7.922
   23   3HG2  ILE   3          HG23      ILE   3   6.568   2.647  -8.800
   24   1HD1  ILE   3          HD11      ILE   3   3.932   3.372  -7.766
   25   2HD1  ILE   3          HD12      ILE   3   4.478   1.899  -8.616
   26   3HD1  ILE   3          HD13      ILE   3   3.174   1.803  -7.432
   27    H    ILE   4           H        ILE   4   9.839   2.254  -5.998
   28    HA   ILE   4           HA       ILE   4  10.498   5.144  -5.699
   29    HB   ILE   4           HB       ILE   4  12.452   2.823  -5.752
   30   1HG1  ILE   4          HG12      ILE   4  11.759   4.472  -3.293
   31   2HG1  ILE   4          HG13      ILE   4  10.981   2.932  -3.639
   32   1HG2  ILE   4          HG21      ILE   4  14.105   4.546  -5.081
   33   2HG2  ILE   4          HG22      ILE   4  13.352   4.977  -6.600
   34   3HG2  ILE   4          HG23      ILE   4  12.840   5.789  -5.106
   35   1HD1  ILE   4          HD11      ILE   4  13.127   1.756  -3.585
   36   2HD1  ILE   4          HD12      ILE   4  13.981   3.283  -3.291
   37   3HD1  ILE   4          HD13      ILE   4  12.850   2.656  -2.096
   38    H    PHE   5           H        PHE   5  10.354   6.124  -7.649
   39    HA   PHE   5           HA       PHE   5  10.930   4.691 -10.145
   40   1HB   PHE   5          HB2       PHE   5  10.320   7.623  -9.524
   41   2HB   PHE   5          HB3       PHE   5  10.580   6.974 -11.136
   42    HD1  PHE   5           HD1      PHE   5   8.102   7.579  -8.564
   43    HD2  PHE   5           HD2      PHE   5   9.013   5.110 -11.990
   44    HE1  PHE   5           HE1      PHE   5   5.702   6.995  -8.798
   45    HE2  PHE   5           HE2      PHE   5   6.608   4.542 -12.213
   46    HZ   PHE   5           HZ       PHE   5   4.951   5.476 -10.614
   47    H    VAL   6           H        VAL   6  12.978   4.855 -11.190
   48    HA   VAL   6           HA       VAL   6  14.943   6.695 -10.051
   49    HB   VAL   6           HB       VAL   6  15.119   5.014  -8.450
   50   1HG1  VAL   6          HG11      VAL   6  15.203   2.820 -10.539
   51   2HG1  VAL   6          HG12      VAL   6  15.301   2.645  -8.779
   52   3HG1  VAL   6          HG13      VAL   6  13.803   3.197  -9.507
   53   1HG2  VAL   6          HG21      VAL   6  17.293   4.284 -10.449
   54   2HG2  VAL   6          HG22      VAL   6  17.319   5.642  -9.304
   55   3HG2  VAL   6          HG23      VAL   6  17.312   3.991  -8.707
   56    H    CYS   7           H        CYS   7  16.816   6.972 -11.130
   57    HA   CYS   7           HA       CYS   7  17.324   5.624 -13.668
   58   1HB   CYS   7          HB2       CYS   7  15.839   7.782 -13.992
   59   2HB   CYS   7          HB3       CYS   7  17.327   8.662 -13.626
   60    HG   CYS   7           HG       CYS   7  16.725   8.437 -16.253
   61    H    THR   8           H        THR   8  19.601   7.199 -14.438
   62    HA   THR   8           HA       THR   8  21.503   6.590 -12.370
   63    HB   THR   8           HB       THR   8  22.883   8.214 -14.029
   64    HG1  THR   8           HG1      THR   8  22.050   8.058 -16.092
   65   1HG2  THR   8          HG21      THR   8  23.358   6.112 -15.368
   66   2HG2  THR   8          HG22      THR   8  23.492   5.930 -13.609
   67   3HG2  THR   8          HG23      THR   8  22.056   5.322 -14.439
   68    H    GLY   9           H        GLY   9  20.442   9.711 -13.766
   69   1HA   GLY   9          HA2       GLY   9  20.956  11.065 -11.165
   70   2HA   GLY   9          HA3       GLY   9  20.776  11.830 -12.765
   71    H    ASN  10           H        ASN  10  19.125  11.320  -9.973
   72    HA   ASN  10           HA       ASN  10  16.756  10.162 -10.381
   73   1HB   ASN  10          HB2       ASN  10  17.380  11.066  -8.223
   74   2HB   ASN  10          HB3       ASN  10  17.386  12.710  -8.866
   75   1HD2  ASN  10          HD22      ASN  10  15.633  13.853  -8.089
   76   2HD2  ASN  10          HD21      ASN  10  14.078  13.124  -7.720
   77    H    THR  11           H        THR  11  17.525  13.521 -11.308
   78    HA   THR  11           HA       THR  11  14.939  14.432 -11.950
   79    HB   THR  11           HB       THR  11  16.401  16.204 -13.145
   80    HG1  THR  11           HG1      THR  11  18.618  16.005 -12.748
   81   1HG2  THR  11          HG21      THR  11  17.042  15.461 -10.245
   82   2HG2  THR  11          HG22      THR  11  17.331  17.035 -10.996
   83   3HG2  THR  11          HG23      THR  11  15.668  16.441 -10.788
   84    H    CYS  12           H        CYS  12  16.903  12.177 -13.697
   85    HA   CYS  12           HA       CYS  12  15.919  12.777 -16.365
   86   1HB   CYS  12          HB2       CYS  12  17.175  10.246 -15.252
   87   2HB   CYS  12          HB3       CYS  12  16.931  10.642 -16.962
   88    HG   CYS  12           HG       CYS  12  18.821  12.019 -14.653
   89    H    ARG  13           H        ARG  13  13.708  13.057 -15.538
   90    HA   ARG  13           HA       ARG  13  11.584  12.532 -15.938
   91   1HB   ARG  13          HB2       ARG  13  12.727  10.901 -17.666
   92   2HB   ARG  13          HB3       ARG  13  12.168   9.644 -16.554
   93   1HG   ARG  13          HG2       ARG  13   9.832  10.779 -16.763
   94   2HG   ARG  13          HG3       ARG  13  10.531  11.686 -18.104
   95   1HD   ARG  13          HD2       ARG  13  10.140   8.682 -17.846
   96   2HD   ARG  13          HD3       ARG  13   9.337   9.768 -18.965
   97    HE   ARG  13           HE       ARG  13  11.284   9.929 -20.310
   98   1HH1  ARG  13          HH21      ARG  13  11.711   7.519 -17.669
   99   2HH1  ARG  13          HH22      ARG  13  12.668   6.509 -18.718
  100   1HH2  ARG  13          HH11      ARG  13  12.815   8.657 -21.394
  101   2HH2  ARG  13          HH12      ARG  13  13.552   7.279 -20.627
  102    H    SER  14           H        SER  14  13.289  10.314 -13.719
  103    HA   SER  14           HA       SER  14  11.258   8.945 -12.619
  104   1HB   SER  14          HB2       SER  14  13.176  10.196 -10.685
  105   2HB   SER  14          HB3       SER  14  12.571   8.545 -10.773
  106    HG   SER  14           HG       SER  14  14.643   9.823 -12.083
  107    HA   PRO  15           HA       PRO  15   9.654  12.298  -9.695
  108   1HB   PRO  15          HB2       PRO  15  10.149  14.962 -10.047
  109   2HB   PRO  15          HB3       PRO  15  11.186  13.862  -9.090
  110   1HG   PRO  15          HG2       PRO  15  11.577  14.720 -11.974
  111   2HG   PRO  15          HG3       PRO  15  12.778  14.735 -10.639
  112   1HD   PRO  15          HD2       PRO  15  12.681  12.689 -12.392
  113   2HD   PRO  15          HD3       PRO  15  12.963  12.381 -10.654
  114    H    MET  16           H        MET  16   9.765  12.920 -13.204
  115    HA   MET  16           HA       MET  16   7.211  14.266 -13.338
  116   1HB   MET  16          HB2       MET  16   8.580  12.521 -15.433
  117   2HB   MET  16          HB3       MET  16   7.163  13.525 -15.687
  118   1HG   MET  16          HG2       MET  16   8.435  15.549 -15.341
  119   2HG   MET  16          HG3       MET  16   9.853  14.635 -14.817
  120   1HE   MET  16          HE1       MET  16   7.563  13.593 -17.992
  121   2HE   MET  16          HE2       MET  16   7.431  15.366 -17.801
  122   3HE   MET  16          HE3       MET  16   8.295  14.679 -19.195
  123    H    ALA  17           H        ALA  17   8.393  10.907 -13.497
  124    HA   ALA  17           HA       ALA  17   5.845   9.725 -13.925
  125   1HB   ALA  17          HB1       ALA  17   8.283   8.456 -12.582
  126   2HB   ALA  17          HB2       ALA  17   6.934   7.606 -13.342
  127   3HB   ALA  17          HB3       ALA  17   8.055   8.558 -14.339
  128    H    GLU  18           H        GLU  18   7.679  10.481 -10.988
  129    HA   GLU  18           HA       GLU  18   5.893   9.373  -9.125
  130   1HB   GLU  18          HB2       GLU  18   8.215  10.274  -8.759
  131   2HB   GLU  18          HB3       GLU  18   7.553  11.911  -8.823
  132   1HG   GLU  18          HG2       GLU  18   6.010  11.144  -6.884
  133   2HG   GLU  18          HG3       GLU  18   7.113   9.762  -6.750
  134    H    ALA  19           H        ALA  19   5.938  12.648 -10.539
  135    HA   ALA  19           HA       ALA  19   3.734  13.559  -8.972
  136   1HB   ALA  19          HB1       ALA  19   4.825  14.614 -11.624
  137   2HB   ALA  19          HB2       ALA  19   3.781  15.508 -10.500
  138   3HB   ALA  19          HB3       ALA  19   5.416  15.055 -10.005
  139    H    LEU  20           H        LEU  20   3.972  12.163 -12.220
  140    HA   LEU  20           HA       LEU  20   1.170  12.492 -12.831
  141   1HB   LEU  20          HB2       LEU  20   3.323  10.640 -13.943
  142   2HB   LEU  20          HB3       LEU  20   1.639  10.491 -14.428
  143    HG   LEU  20           HG       LEU  20   3.498  12.808 -15.012
  144   1HD1  LEU  20          HD11      LEU  20   3.706  10.797 -16.426
  145   2HD1  LEU  20          HD12      LEU  20   1.982  10.901 -16.810
  146   3HD1  LEU  20          HD13      LEU  20   3.081  12.187 -17.342
  147   1HD2  LEU  20          HD21      LEU  20   0.507  12.572 -15.598
  148   2HD2  LEU  20          HD22      LEU  20   1.288  13.787 -14.563
  149   3HD2  LEU  20          HD23      LEU  20   1.601  13.790 -16.294
  150    H    PHE  21           H        PHE  21   3.092   9.850 -11.357
  151    HA   PHE  21           HA       PHE  21   0.792   8.174 -11.326
  152   1HB   PHE  21          HB2       PHE  21   3.207   7.357 -11.250
  153   2HB   PHE  21          HB3       PHE  21   3.180   7.733  -9.520
  154    HD1  PHE  21           HD1      PHE  21   1.394   5.891 -12.249
  155    HD2  PHE  21           HD2      PHE  21   1.996   6.223  -7.995
  156    HE1  PHE  21           HE1      PHE  21  -0.038   3.922 -11.906
  157    HE2  PHE  21           HE2      PHE  21   0.594   4.185  -7.666
  158    HZ   PHE  21           HZ       PHE  21  -0.438   3.049  -9.618
  159    H    LYS  22           H        LYS  22   2.140  10.433  -8.929
  160    HA   LYS  22           HA       LYS  22   0.338   9.754  -6.827
  161   1HB   LYS  22          HB2       LYS  22   1.707  12.354  -7.639
  162   2HB   LYS  22          HB3       LYS  22   0.634  12.279  -6.241
  163   1HG   LYS  22          HG2       LYS  22   2.046  10.757  -5.066
  164   2HG   LYS  22          HG3       LYS  22   3.017  10.418  -6.497
  165   1HD   LYS  22          HD2       LYS  22   3.962  12.639  -6.522
  166   2HD   LYS  22          HD3       LYS  22   2.808  13.218  -5.306
  167   1HE   LYS  22          HE2       LYS  22   3.801  11.819  -3.588
  168   2HE   LYS  22          HE3       LYS  22   4.899  11.071  -4.755
  169   1HZ   LYS  22          HZ1       LYS  22   6.089  13.101  -4.985
  170   2HZ   LYS  22          HZ2       LYS  22   4.944  13.974  -4.172
  171   3HZ   LYS  22          HZ3       LYS  22   5.878  12.898  -3.387
  172    H    SER  23           H        SER  23   0.012  12.063  -9.538
  173    HA   SER  23           HA       SER  23  -2.607  12.847  -8.788
  174   1HB   SER  23          HB2       SER  23  -1.351  12.885 -11.557
  175   2HB   SER  23          HB3       SER  23  -2.716  13.873 -10.988
  176    HG   SER  23           HG       SER  23   0.010  13.945 -10.199
  177    H    ILE  24           H        ILE  24  -1.491  10.230 -10.907
  178    HA   ILE  24           HA       ILE  24  -4.104   9.498 -11.811
  179    HB   ILE  24           HB       ILE  24  -1.416   8.109 -11.875
  180   1HG1  ILE  24          HG12      ILE  24  -3.144   9.162 -14.171
  181   2HG1  ILE  24          HG13      ILE  24  -1.987  10.187 -13.342
  182   1HG2  ILE  24          HG21      ILE  24  -3.138   6.337 -11.806
  183   2HG2  ILE  24          HG22      ILE  24  -4.000   7.103 -13.154
  184   3HG2  ILE  24          HG23      ILE  24  -2.378   6.411 -13.390
  185   1HD1  ILE  24          HD11      ILE  24  -1.297   7.668 -14.904
  186   2HD1  ILE  24          HD12      ILE  24  -0.978   9.346 -15.363
  187   3HD1  ILE  24          HD13      ILE  24  -0.144   8.648 -13.964
  188    H    ALA  25           H        ALA  25  -2.057   8.449  -9.068
  189    HA   ALA  25           HA       ALA  25  -3.808   6.361  -8.264
  190   1HB   ALA  25          HB1       ALA  25  -1.489   6.486  -7.432
  191   2HB   ALA  25          HB2       ALA  25  -1.844   8.026  -6.615
  192   3HB   ALA  25          HB3       ALA  25  -2.623   6.532  -6.066
  193    H    GLU  26           H        GLU  26  -3.628   9.817  -7.435
  194    HA   GLU  26           HA       GLU  26  -5.690   9.768  -5.517
  195   1HB   GLU  26          HB2       GLU  26  -4.007  11.619  -5.906
  196   2HB   GLU  26          HB3       GLU  26  -4.891  12.063  -7.364
  197   1HG   GLU  26          HG2       GLU  26  -5.534  13.571  -5.633
  198   2HG   GLU  26          HG3       GLU  26  -6.915  12.535  -5.952
  199    H    ARG  27           H        ARG  27  -5.866  10.240  -9.072
  200    HA   ARG  27           HA       ARG  27  -8.705  10.731  -8.925
  201   1HB   ARG  27          HB2       ARG  27  -8.831  10.845 -11.211
  202   2HB   ARG  27          HB3       ARG  27  -7.288  11.544 -10.748
  203   1HG   ARG  27          HG2       ARG  27  -6.751  10.431 -12.670
  204   2HG   ARG  27          HG3       ARG  27  -6.252   9.322 -11.420
  205   1HD   ARG  27          HD2       ARG  27  -7.271   8.096 -13.247
  206   2HD   ARG  27          HD3       ARG  27  -8.313   7.950 -11.838
  207    HE   ARG  27           HE       ARG  27  -9.051  10.185 -13.512
  208   1HH1  ARG  27          HH21      ARG  27  -9.359   6.619 -13.268
  209   2HH1  ARG  27          HH22      ARG  27 -10.829   6.585 -14.177
  210   1HH2  ARG  27          HH11      ARG  27 -11.009  10.085 -14.698
  211   2HH2  ARG  27          HH12      ARG  27 -11.776   8.576 -15.006
  212    H    GLU  28           H        GLU  28  -6.756   7.882  -9.398
  213    HA   GLU  28           HA       GLU  28  -9.022   6.187 -10.021
  214   1HB   GLU  28          HB2       GLU  28  -6.549   6.023 -10.820
  215   2HB   GLU  28          HB3       GLU  28  -6.234   5.235  -9.275
  216   1HG   GLU  28          HG2       GLU  28  -6.573   3.617 -11.082
  217   2HG   GLU  28          HG3       GLU  28  -7.843   3.463  -9.879
  218    H    GLY  29           H        GLY  29  -7.569   7.212  -7.034
  219   1HA   GLY  29          HA2       GLY  29  -8.404   6.882  -4.903
  220   2HA   GLY  29          HA3       GLY  29  -9.508   5.628  -5.491
  221    H    LEU  30           H        LEU  30  -6.055   5.635  -6.241
  222    HA   LEU  30           HA       LEU  30  -5.603   3.120  -4.721
  223   1HB   LEU  30          HB2       LEU  30  -4.097   4.672  -6.843
  224   2HB   LEU  30          HB3       LEU  30  -3.207   3.574  -5.801
  225    HG   LEU  30           HG       LEU  30  -5.673   2.663  -7.329
  226   1HD1  LEU  30          HD11      LEU  30  -4.117   3.499  -9.009
  227   2HD1  LEU  30          HD12      LEU  30  -2.792   2.554  -8.299
  228   3HD1  LEU  30          HD13      LEU  30  -4.179   1.730  -9.062
  229   1HD2  LEU  30          HD21      LEU  30  -3.291   1.142  -6.170
  230   2HD2  LEU  30          HD22      LEU  30  -4.933   1.172  -5.496
  231   3HD2  LEU  30          HD23      LEU  30  -4.644   0.420  -7.063
  232    H    ASN  31           H        ASN  31  -3.788   3.081  -3.189
  233    HA   ASN  31           HA       ASN  31  -3.411   5.678  -1.766
  234   1HB   ASN  31          HB2       ASN  31  -5.339   4.181  -0.931
  235   2HB   ASN  31          HB3       ASN  31  -4.094   3.077  -0.354
  236   1HD2  ASN  31          HD22      ASN  31  -2.336   4.237   1.085
  237   2HD2  ASN  31          HD21      ASN  31  -2.955   5.413   2.236
  238    H    VAL  32           H        VAL  32  -1.524   4.773  -3.455
  239    HA   VAL  32           HA       VAL  32   0.478   3.076  -2.219
  240    HB   VAL  32           HB       VAL  32   1.883   3.884  -4.101
  241   1HG1  VAL  32          HG11      VAL  32   0.711   2.825  -5.851
  242   2HG1  VAL  32          HG12      VAL  32   0.292   1.972  -4.362
  243   3HG1  VAL  32          HG13      VAL  32  -0.877   3.089  -5.095
  244   1HG2  VAL  32          HG21      VAL  32   0.937   6.222  -4.287
  245   2HG2  VAL  32          HG22      VAL  32   1.047   5.361  -5.816
  246   3HG2  VAL  32          HG23      VAL  32  -0.525   5.527  -5.018
  247    H    ASN  33           H        ASN  33   2.752   3.963  -2.004
  248    HA   ASN  33           HA       ASN  33   2.930   6.858  -1.523
  249   1HB   ASN  33          HB2       ASN  33   3.577   5.566   0.584
  250   2HB   ASN  33          HB3       ASN  33   4.818   4.748  -0.372
  251   1HD2  ASN  33          HD22      ASN  33   6.797   5.835  -0.716
  252   2HD2  ASN  33          HD21      ASN  33   7.083   7.473  -0.142
  253    H    VAL  34           H        VAL  34   4.745   7.711  -2.718
  254    HA   VAL  34           HA       VAL  34   6.296   5.828  -4.256
  255    HB   VAL  34           HB       VAL  34   6.126   7.009  -6.379
  256   1HG1  VAL  34          HG11      VAL  34   3.288   6.295  -5.565
  257   2HG1  VAL  34          HG12      VAL  34   4.042   6.195  -7.165
  258   3HG1  VAL  34          HG13      VAL  34   4.529   5.069  -5.888
  259   1HG2  VAL  34          HG21      VAL  34   4.379   8.601  -6.878
  260   2HG2  VAL  34          HG22      VAL  34   3.755   8.528  -5.214
  261   3HG2  VAL  34          HG23      VAL  34   5.348   9.233  -5.526
  262    H    ARG  35           H        ARG  35   8.306   6.623  -4.889
  263    HA   ARG  35           HA       ARG  35   9.289   9.177  -3.741
  264   1HB   ARG  35          HB2       ARG  35  10.680   6.458  -3.755
  265   2HB   ARG  35          HB3       ARG  35  11.293   7.912  -2.998
  266   1HG   ARG  35          HG2       ARG  35   8.822   6.407  -2.012
  267   2HG   ARG  35          HG3       ARG  35  10.452   6.051  -1.500
  268   1HD   ARG  35          HD2       ARG  35   9.524   7.430   0.177
  269   2HD   ARG  35          HD3       ARG  35  10.702   8.423  -0.701
  270    HE   ARG  35           HE       ARG  35   8.150   8.746  -1.919
  271   1HH1  ARG  35          HH21      ARG  35   9.772   9.728   1.091
  272   2HH1  ARG  35          HH22      ARG  35   8.732  11.077   1.352
  273   1HH2  ARG  35          HH11      ARG  35   6.782  10.425  -1.571
  274   2HH2  ARG  35          HH12      ARG  35   6.969  11.505  -0.226
  275    H    SER  36           H        SER  36  11.439   9.677  -4.783
  276    HA   SER  36           HA       SER  36  12.014   8.113  -7.176
  277   1HB   SER  36          HB2       SER  36  12.287  11.115  -7.303
  278   2HB   SER  36          HB3       SER  36  12.419   9.926  -8.604
  279    HG   SER  36           HG       SER  36  10.073  10.632  -7.165
  280    H    ALA  37           H        ALA  37  14.260   7.987  -7.625
  281    HA   ALA  37           HA       ALA  37  16.162   9.483  -5.982
  282   1HB   ALA  37          HB1       ALA  37  17.185   7.474  -5.019
  283   2HB   ALA  37          HB2       ALA  37  15.514   7.608  -4.477
  284   3HB   ALA  37          HB3       ALA  37  15.925   6.447  -5.759
  285    H    GLY  38           H        GLY  38  18.456   8.530  -6.597
  286   1HA   GLY  38          HA2       GLY  38  18.468   7.365  -9.302
  287   2HA   GLY  38          HA3       GLY  38  19.348   8.864  -9.103
  288    H    VAL  39           H        VAL  39  20.338   6.089  -9.731
  289    HA   VAL  39           HA       VAL  39  21.679   5.074  -7.395
  290    HB   VAL  39           HB       VAL  39  23.217   3.956  -9.131
  291   1HG1  VAL  39          HG11      VAL  39  20.218   3.453  -9.243
  292   2HG1  VAL  39          HG12      VAL  39  21.493   2.333  -9.778
  293   3HG1  VAL  39          HG13      VAL  39  21.369   2.776  -8.062
  294   1HG2  VAL  39          HG21      VAL  39  22.492   3.802 -11.413
  295   2HG2  VAL  39          HG22      VAL  39  21.076   4.810 -11.112
  296   3HG2  VAL  39          HG23      VAL  39  22.716   5.515 -11.026
  297    H    PHE  40           H        PHE  40  22.412   7.800  -9.477
  298    HA   PHE  40           HA       PHE  40  24.797   8.371  -7.806
  299   1HB   PHE  40          HB2       PHE  40  24.619   8.479 -10.845
  300   2HB   PHE  40          HB3       PHE  40  25.908   9.225  -9.909
  301    HD1  PHE  40           HD1      PHE  40  27.371   7.792  -8.391
  302    HD2  PHE  40           HD2      PHE  40  24.777   6.115 -11.404
  303    HE1  PHE  40           HE1      PHE  40  28.670   5.678  -8.340
  304    HE2  PHE  40           HE2      PHE  40  26.083   4.010 -11.352
  305    HZ   PHE  40           HZ       PHE  40  28.027   3.782  -9.819
  306    H    ALA  41           H        ALA  41  22.001   9.256  -7.644
  307    HA   ALA  41           HA       ALA  41  21.961  12.087  -8.442
  308   1HB   ALA  41          HB1       ALA  41  20.193  10.418  -6.597
  309   2HB   ALA  41          HB2       ALA  41  19.879  12.101  -7.064
  310   3HB   ALA  41          HB3       ALA  41  19.857  10.831  -8.292
  311    H    SER  42           H        SER  42  21.448  13.622  -6.519
  312    HA   SER  42           HA       SER  42  23.094  13.080  -4.145
  313   1HB   SER  42          HB2       SER  42  23.261  15.628  -5.802
  314   2HB   SER  42          HB3       SER  42  24.137  15.294  -4.297
  315    HG   SER  42           HG       SER  42  25.413  14.925  -6.171
  316    HA   PRO  43           HA       PRO  43  19.540  14.618  -2.073
  317   1HB   PRO  43          HB2       PRO  43  21.455  16.026  -0.217
  318   2HB   PRO  43          HB3       PRO  43  20.002  15.045   0.183
  319   1HG   PRO  43          HG2       PRO  43  22.391  13.855   0.330
  320   2HG   PRO  43          HG3       PRO  43  21.076  13.032  -0.598
  321   1HD   PRO  43          HD2       PRO  43  23.297  14.796  -1.700
  322   2HD   PRO  43          HD3       PRO  43  22.839  13.133  -2.166
  323    H    ASN  44           H        ASN  44  21.169  16.874  -3.888
  324    HA   ASN  44           HA       ASN  44  19.131  18.923  -3.349
  325   1HB   ASN  44          HB2       ASN  44  21.109  19.503  -1.920
  326   2HB   ASN  44          HB3       ASN  44  22.085  19.626  -3.390
  327   1HD2  ASN  44          HD22      ASN  44  22.481  21.871  -3.483
  328   2HD2  ASN  44          HD21      ASN  44  21.225  23.080  -3.476
  329    H    GLY  45           H        GLY  45  19.796  16.930  -5.500
  330   1HA   GLY  45          HA2       GLY  45  19.981  18.709  -7.879
  331   2HA   GLY  45          HA3       GLY  45  19.612  16.972  -7.865
  332    H    LYS  46           H        LYS  46  17.848  18.961  -9.146
  333    HA   LYS  46           HA       LYS  46  15.407  18.289  -7.737
  334   1HB   LYS  46          HB2       LYS  46  14.598  20.594  -7.432
  335   2HB   LYS  46          HB3       LYS  46  15.999  20.246  -6.431
  336   1HG   LYS  46          HG2       LYS  46  17.454  21.482  -8.043
  337   2HG   LYS  46          HG3       LYS  46  16.035  21.807  -9.060
  338   1HD   LYS  46          HD2       LYS  46  14.977  23.038  -7.171
  339   2HD   LYS  46          HD3       LYS  46  16.423  22.732  -6.178
  340   1HE   LYS  46          HE2       LYS  46  17.815  23.935  -7.852
  341   2HE   LYS  46          HE3       LYS  46  16.375  24.237  -8.835
  342   1HZ   LYS  46          HZ1       LYS  46  16.812  25.276  -6.093
  343   2HZ   LYS  46          HZ2       LYS  46  16.928  26.144  -7.466
  344   3HZ   LYS  46          HZ3       LYS  46  15.482  25.556  -7.004
  345    H    ALA  47           H        ALA  47  13.514  19.023  -8.881
  346    HA   ALA  47           HA       ALA  47  13.356  18.071 -11.412
  347   1HB   ALA  47          HB1       ALA  47  11.647  20.352 -10.330
  348   2HB   ALA  47          HB2       ALA  47  11.194  19.208 -11.609
  349   3HB   ALA  47          HB3       ALA  47  11.436  18.625  -9.946
  350    H    THR  48           H        THR  48  13.547  18.737 -13.552
  351    HA   THR  48           HA       THR  48  15.361  20.916 -13.996
  352    HB   THR  48           HB       THR  48  15.474  20.150 -16.234
  353    HG1  THR  48           HG1      THR  48  13.953  18.826 -17.160
  354   1HG2  THR  48          HG21      THR  48  15.901  17.816 -16.084
  355   2HG2  THR  48          HG22      THR  48  16.280  18.492 -14.489
  356   3HG2  THR  48          HG23      THR  48  14.754  17.606 -14.745
  357    HA   PRO  49           HA       PRO  49  12.487  24.132 -14.868
  358   1HB   PRO  49          HB2       PRO  49  13.578  25.544 -16.976
  359   2HB   PRO  49          HB3       PRO  49  14.214  25.566 -15.305
  360   1HG   PRO  49          HG2       PRO  49  15.145  23.855 -17.629
  361   2HG   PRO  49          HG3       PRO  49  16.144  24.844 -16.512
  362   1HD   PRO  49          HD2       PRO  49  15.835  22.197 -16.126
  363   2HD   PRO  49          HD3       PRO  49  15.825  23.310 -14.730
  364    H    HIS  50           H        HIS  50  12.783  21.549 -17.093
  365    HA   HIS  50           HA       HIS  50  10.409  22.540 -18.561
  366   1HB   HIS  50          HB2       HIS  50  12.637  20.783 -19.568
  367   2HB   HIS  50          HB3       HIS  50  11.101  21.026 -20.412
  368    HD1  HIS  50           HD1      HIS  50  13.971  21.883 -21.656
  369    HD2  HIS  50           HD2      HIS  50  11.082  24.337 -19.803
  370    HE1  HIS  50           HE1      HIS  50  14.385  24.248 -22.490
  371    H    ALA  51           H        ALA  51  11.795  19.742 -16.811
  372    HA   ALA  51           HA       ALA  51   9.508  18.080 -17.157
  373   1HB   ALA  51          HB1       ALA  51  10.284  17.065 -14.984
  374   2HB   ALA  51          HB2       ALA  51  11.592  17.213 -16.172
  375   3HB   ALA  51          HB3       ALA  51  11.473  18.365 -14.828
  376    H    VAL  52           H        VAL  52  10.385  20.520 -14.710
  377    HA   VAL  52           HA       VAL  52   8.014  20.284 -13.230
  378    HB   VAL  52           HB       VAL  52  10.373  21.314 -12.779
  379   1HG1  VAL  52          HG11      VAL  52  10.273  23.151 -14.400
  380   2HG1  VAL  52          HG12      VAL  52   8.965  23.895 -13.429
  381   3HG1  VAL  52          HG13      VAL  52  10.594  23.670 -12.740
  382   1HG2  VAL  52          HG21      VAL  52   9.521  22.596 -10.860
  383   2HG2  VAL  52          HG22      VAL  52   7.876  22.447 -11.533
  384   3HG2  VAL  52          HG23      VAL  52   8.800  20.997 -11.054
  385    H    GLU  53           H        GLU  53   8.870  22.313 -15.986
  386    HA   GLU  53           HA       GLU  53   6.470  23.831 -15.926
  387   1HB   GLU  53          HB2       GLU  53   8.557  24.577 -17.051
  388   2HB   GLU  53          HB3       GLU  53   8.364  23.294 -18.244
  389   1HG   GLU  53          HG2       GLU  53   7.647  25.423 -19.166
  390   2HG   GLU  53          HG3       GLU  53   6.295  24.305 -19.067
  391    H    ALA  54           H        ALA  54   7.414  20.826 -17.574
  392    HA   ALA  54           HA       ALA  54   5.103  20.513 -19.160
  393   1HB   ALA  54          HB1       ALA  54   7.093  19.160 -19.555
  394   2HB   ALA  54          HB2       ALA  54   7.015  18.470 -17.925
  395   3HB   ALA  54          HB3       ALA  54   5.785  18.046 -19.100
  396    H    LEU  55           H        LEU  55   5.787  19.464 -15.819
  397    HA   LEU  55           HA       LEU  55   3.073  18.379 -15.589
  398   1HB   LEU  55          HB2       LEU  55   5.382  18.728 -13.715
  399   2HB   LEU  55          HB3       LEU  55   3.774  18.354 -13.070
  400    HG   LEU  55           HG       LEU  55   5.228  16.368 -13.332
  401   1HD1  LEU  55          HD11      LEU  55   3.587  14.893 -14.241
  402   2HD1  LEU  55          HD12      LEU  55   2.792  16.152 -13.304
  403   3HD1  LEU  55          HD13      LEU  55   2.760  16.211 -15.092
  404   1HD2  LEU  55          HD21      LEU  55   5.639  15.328 -15.486
  405   2HD2  LEU  55          HD22      LEU  55   4.904  16.689 -16.341
  406   3HD2  LEU  55          HD23      LEU  55   6.415  16.915 -15.432
  407    H    PHE  56           H        PHE  56   4.504  21.560 -15.023
  408    HA   PHE  56           HA       PHE  56   2.216  22.521 -13.542
  409   1HB   PHE  56          HB2       PHE  56   4.408  23.712 -13.614
  410   2HB   PHE  56          HB3       PHE  56   4.118  24.101 -15.311
  411    HD1  PHE  56           HD1      PHE  56   2.495  24.358 -11.924
  412    HD2  PHE  56           HD2      PHE  56   2.966  26.133 -15.828
  413    HE1  PHE  56           HE1      PHE  56   1.042  26.233 -11.239
  414    HE2  PHE  56           HE2      PHE  56   1.548  28.043 -15.121
  415    HZ   PHE  56           HZ       PHE  56   0.576  28.101 -12.830
  416    H    GLU  57           H        GLU  57   3.004  22.312 -17.053
  417    HA   GLU  57           HA       GLU  57   0.547  23.476 -17.923
  418   1HB   GLU  57          HB2       GLU  57   2.630  23.207 -19.270
  419   2HB   GLU  57          HB3       GLU  57   2.325  21.469 -19.369
  420   1HG   GLU  57          HG2       GLU  57   0.225  21.877 -20.576
  421   2HG   GLU  57          HG3       GLU  57   0.385  23.621 -20.329
  422    H    LYS  58           H        LYS  58   1.458  20.075 -17.155
  423    HA   LYS  58           HA       LYS  58  -1.119  18.939 -17.688
  424   1HB   LYS  58          HB2       LYS  58   1.092  17.716 -17.293
  425   2HB   LYS  58          HB3       LYS  58   0.902  18.086 -15.582
  426   1HG   LYS  58          HG2       LYS  58   0.251  15.827 -15.956
  427   2HG   LYS  58          HG3       LYS  58  -1.162  16.747 -15.483
  428   1HD   LYS  58          HD2       LYS  58  -1.846  15.222 -17.142
  429   2HD   LYS  58          HD3       LYS  58  -1.824  16.798 -17.946
  430   1HE   LYS  58          HE2       LYS  58   0.415  16.266 -18.885
  431   2HE   LYS  58          HE3       LYS  58   0.432  14.724 -18.027
  432   1HZ   LYS  58          HZ1       LYS  58  -0.296  14.465 -20.360
  433   2HZ   LYS  58          HZ2       LYS  58  -1.483  14.007 -19.341
  434   3HZ   LYS  58          HZ3       LYS  58  -1.571  15.454 -20.110
  435    H    HIS  59           H        HIS  59  -0.133  21.149 -15.258
  436    HA   HIS  59           HA       HIS  59  -1.100  22.149 -13.559
  437   1HB   HIS  59          HB2       HIS  59  -3.108  22.125 -15.152
  438   2HB   HIS  59          HB3       HIS  59  -3.785  20.887 -14.097
  439    HD1  HIS  59           HD1      HIS  59  -3.313  24.615 -14.345
  440    HD2  HIS  59           HD2      HIS  59  -4.118  21.716 -11.401
  441    HE1  HIS  59           HE1      HIS  59  -4.195  25.880 -12.321
  442    H    ILE  60           H        ILE  60   0.469  20.262 -12.935
  443    HA   ILE  60           HA       ILE  60  -0.722  18.935 -10.541
  444    HB   ILE  60           HB       ILE  60   1.372  17.918 -12.481
  445   1HG1  ILE  60          HG12      ILE  60  -1.278  16.718 -11.535
  446   2HG1  ILE  60          HG13      ILE  60  -1.062  17.586 -13.052
  447   1HG2  ILE  60          HG21      ILE  60   1.599  15.928 -10.981
  448   2HG2  ILE  60          HG22      ILE  60   2.193  17.394 -10.227
  449   3HG2  ILE  60          HG23      ILE  60   0.600  16.748  -9.771
  450   1HD1  ILE  60          HD11      ILE  60   0.267  14.938 -12.366
  451   2HD1  ILE  60          HD12      ILE  60  -1.027  15.242 -13.530
  452   3HD1  ILE  60          HD13      ILE  60   0.595  15.922 -13.792
  453    H    ALA  61           H        ALA  61   1.787  20.996 -11.884
  454    HA   ALA  61           HA       ALA  61   3.442  22.219 -10.980
  455   1HB   ALA  61          HB1       ALA  61   1.665  22.274  -8.517
  456   2HB   ALA  61          HB2       ALA  61   2.963  23.414  -8.921
  457   3HB   ALA  61          HB3       ALA  61   1.510  23.330  -9.937
  458    H    LEU  62           H        LEU  62   4.644  20.195 -11.236
  459    HA   LEU  62           HA       LEU  62   5.432  18.423  -9.172
  460   1HB   LEU  62          HB2       LEU  62   5.806  18.320 -11.665
  461   2HB   LEU  62          HB3       LEU  62   7.060  19.537 -11.505
  462    HG   LEU  62           HG       LEU  62   7.045  16.643 -10.561
  463   1HD1  LEU  62          HD11      LEU  62   7.465  17.122 -12.986
  464   2HD1  LEU  62          HD12      LEU  62   8.861  18.114 -12.521
  465   3HD1  LEU  62          HD13      LEU  62   8.842  16.372 -12.177
  466   1HD2  LEU  62          HD21      LEU  62   8.340  17.538  -8.848
  467   2HD2  LEU  62          HD22      LEU  62   9.542  17.115 -10.045
  468   3HD2  LEU  62          HD23      LEU  62   9.050  18.809  -9.895
  469    H    ASN  63           H        ASN  63   6.948  18.659  -7.519
  470    HA   ASN  63           HA       ASN  63   9.052  20.602  -7.723
  471   1HB   ASN  63          HB2       ASN  63   6.761  21.449  -6.201
  472   2HB   ASN  63          HB3       ASN  63   8.001  20.998  -5.033
  473   1HD2  ASN  63          HD22      ASN  63   7.832  22.656  -8.244
  474   2HD2  ASN  63          HD21      ASN  63   8.885  23.991  -7.804
  475    H    HIS  64           H        HIS  64  10.797  19.399  -7.147
  476    HA   HIS  64           HA       HIS  64  10.576  17.273  -5.125
  477   1HB   HIS  64          HB2       HIS  64   9.736  16.300  -7.306
  478   2HB   HIS  64          HB3       HIS  64  11.285  16.712  -8.055
  479    HD1  HIS  64           HD1      HIS  64   9.680  13.994  -5.928
  480    HD2  HIS  64           HD2      HIS  64  13.486  15.365  -7.136
  481    HE1  HIS  64           HE1      HIS  64  11.327  12.170  -5.340
  482    H    VAL  65           H        VAL  65  12.589  16.774  -4.286
  483    HA   VAL  65           HA       VAL  65  15.035  17.958  -5.492
  484    HB   VAL  65           HB       VAL  65  14.327  17.893  -2.529
  485   1HG1  VAL  65          HG11      VAL  65  16.757  17.528  -2.994
  486   2HG1  VAL  65          HG12      VAL  65  16.784  19.040  -3.927
  487   3HG1  VAL  65          HG13      VAL  65  16.447  19.067  -2.185
  488   1HG2  VAL  65          HG21      VAL  65  13.131  19.740  -3.625
  489   2HG2  VAL  65          HG22      VAL  65  14.475  20.377  -2.670
  490   3HG2  VAL  65          HG23      VAL  65  14.629  20.258  -4.434
  491    H    SER  66           H        SER  66  16.376  16.395  -5.931
  492    HA   SER  66           HA       SER  66  15.868  13.656  -5.713
  493   1HB   SER  66          HB2       SER  66  18.471  15.160  -6.212
  494   2HB   SER  66          HB3       SER  66  18.100  13.511  -6.746
  495    HG   SER  66           HG       SER  66  17.789  15.264  -8.320
  496    H    SER  67           H        SER  67  17.438  12.007  -4.914
  497    HA   SER  67           HA       SER  67  19.311  12.545  -2.806
  498   1HB   SER  67          HB2       SER  67  16.695  11.073  -2.215
  499   2HB   SER  67          HB3       SER  67  18.151  10.908  -1.217
  500    HG   SER  67           HG       SER  67  17.227  13.480  -1.835
  501    HA   PRO  68           HA       PRO  68  20.758   8.879  -4.903
  502   1HB   PRO  68          HB2       PRO  68  22.432   7.692  -3.098
  503   2HB   PRO  68          HB3       PRO  68  22.809   9.254  -3.884
  504   1HG   PRO  68          HG2       PRO  68  21.576   8.801  -1.147
  505   2HG   PRO  68          HG3       PRO  68  22.951   9.871  -1.576
  506   1HD   PRO  68          HD2       PRO  68  20.413  10.819  -1.325
  507   2HD   PRO  68          HD3       PRO  68  21.518  11.454  -2.584
  508    H    LEU  69           H        LEU  69  20.049   6.772  -5.224
  509    HA   LEU  69           HA       LEU  69  18.080   5.634  -3.379
  510   1HB   LEU  69          HB2       LEU  69  17.864   5.249  -5.806
  511   2HB   LEU  69          HB3       LEU  69  19.440   4.470  -5.856
  512    HG   LEU  69           HG       LEU  69  18.685   2.581  -4.641
  513   1HD1  LEU  69          HD11      LEU  69  16.301   2.350  -3.802
  514   2HD1  LEU  69          HD12      LEU  69  17.280   3.456  -2.856
  515   3HD1  LEU  69          HD13      LEU  69  16.118   4.102  -4.034
  516   1HD2  LEU  69          HD21      LEU  69  16.892   1.713  -6.043
  517   2HD2  LEU  69          HD22      LEU  69  16.413   3.361  -6.504
  518   3HD2  LEU  69          HD23      LEU  69  17.992   2.713  -7.001
  519    H    THR  70           H        THR  70  18.676   4.770  -1.519
  520    HA   THR  70           HA       THR  70  21.186   3.255  -1.302
  521    HB   THR  70           HB       THR  70  21.247   4.492   1.056
  522    HG1  THR  70           HG1      THR  70  20.057   6.437  -0.656
  523   1HG2  THR  70          HG21      THR  70  22.268   5.730  -1.534
  524   2HG2  THR  70          HG22      THR  70  22.895   6.046   0.104
  525   3HG2  THR  70          HG23      THR  70  23.043   4.427  -0.611
  526    H    GLU  71           H        GLU  71  21.202   2.070   0.885
  527    HA   GLU  71           HA       GLU  71  19.303   0.207   0.101
  528   1HB   GLU  71          HB2       GLU  71  21.632  -0.200   0.960
  529   2HB   GLU  71          HB3       GLU  71  21.043   0.089   2.602
  530   1HG   GLU  71          HG2       GLU  71  19.498  -1.837   2.389
  531   2HG   GLU  71          HG3       GLU  71  19.986  -2.062   0.707
  532    H    GLU  72           H        GLU  72  19.252   2.387   2.886
  533    HA   GLU  72           HA       GLU  72  17.152   1.080   4.287
  534   1HB   GLU  72          HB2       GLU  72  16.888   3.223   5.480
  535   2HB   GLU  72          HB3       GLU  72  18.565   2.682   5.398
  536   1HG   GLU  72          HG2       GLU  72  18.972   4.300   3.525
  537   2HG   GLU  72          HG3       GLU  72  17.310   4.872   3.685
  538    H    LEU  73           H        LEU  73  17.111   3.425   1.627
  539    HA   LEU  73           HA       LEU  73  14.273   3.866   1.751
  540   1HB   LEU  73          HB2       LEU  73  15.906   5.451   0.698
  541   2HB   LEU  73          HB3       LEU  73  16.231   4.245  -0.550
  542    HG   LEU  73           HG       LEU  73  13.901   4.404  -1.329
  543   1HD1  LEU  73          HD11      LEU  73  12.467   6.282  -0.595
  544   2HD1  LEU  73          HD12      LEU  73  12.638   4.992   0.592
  545   3HD1  LEU  73          HD13      LEU  73  13.545   6.518   0.800
  546   1HD2  LEU  73          HD21      LEU  73  15.660   5.827  -2.317
  547   2HD2  LEU  73          HD22      LEU  73  14.072   6.601  -2.369
  548   3HD2  LEU  73          HD23      LEU  73  15.272   7.109  -1.153
  549    H    MET  74           H        MET  74  16.467   1.732  -0.031
  550    HA   MET  74           HA       MET  74  14.555   0.388  -1.626
  551   1HB   MET  74          HB2       MET  74  16.654   0.008  -2.358
  552   2HB   MET  74          HB3       MET  74  17.359  -0.036  -0.758
  553   1HG   MET  74          HG2       MET  74  17.620  -2.182  -1.792
  554   2HG   MET  74          HG3       MET  74  16.579  -2.299  -0.387
  555   1HE   MET  74          HE1       MET  74  15.312  -2.917  -4.792
  556   2HE   MET  74          HE2       MET  74  16.190  -1.463  -4.263
  557   3HE   MET  74          HE3       MET  74  16.966  -3.067  -4.180
  558    H    GLU  75           H        GLU  75  15.727  -0.329   1.676
  559    HA   GLU  75           HA       GLU  75  14.142  -2.708   1.998
  560   1HB   GLU  75          HB2       GLU  75  15.507  -0.824   3.959
  561   2HB   GLU  75          HB3       GLU  75  14.551  -2.210   4.493
  562   1HG   GLU  75          HG2       GLU  75  15.965  -3.733   3.144
  563   2HG   GLU  75          HG3       GLU  75  16.999  -2.386   2.686
  564    H    SER  76           H        SER  76  13.506   0.754   2.644
  565    HA   SER  76           HA       SER  76  11.034   0.354   4.033
  566   1HB   SER  76          HB2       SER  76  11.945   2.727   2.349
  567   2HB   SER  76          HB3       SER  76  10.637   2.719   3.541
  568    HG   SER  76           HG       SER  76  13.421   2.310   3.992
  569    H    ALA  77           H        ALA  77  11.815   0.697   0.534
  570    HA   ALA  77           HA       ALA  77   9.042   0.904  -0.193
  571   1HB   ALA  77          HB1       ALA  77   9.911   0.958  -2.495
  572   2HB   ALA  77          HB2       ALA  77  10.760   2.059  -1.409
  573   3HB   ALA  77          HB3       ALA  77  11.524   0.511  -1.887
  574    H    ASP  78           H        ASP  78   8.105  -0.418  -1.976
  575    HA   ASP  78           HA       ASP  78   8.467  -3.327  -1.482
  576   1HB   ASP  78          HB2       ASP  78   6.366  -2.352  -0.515
  577   2HB   ASP  78          HB3       ASP  78   5.877  -1.885  -2.146
  578    H    LEU  79           H        LEU  79   8.395  -0.764  -3.875
  579    HA   LEU  79           HA       LEU  79   8.963  -2.779  -5.948
  580   1HB   LEU  79          HB2       LEU  79   6.502  -2.037  -6.022
  581   2HB   LEU  79          HB3       LEU  79   7.084  -0.418  -6.343
  582    HG   LEU  79           HG       LEU  79   8.162  -1.271  -8.462
  583   1HD1  LEU  79          HD11      LEU  79   6.666  -3.837  -7.739
  584   2HD1  LEU  79          HD12      LEU  79   7.394  -3.490  -9.319
  585   3HD1  LEU  79          HD13      LEU  79   8.425  -3.659  -7.895
  586   1HD2  LEU  79          HD21      LEU  79   5.171  -1.802  -8.198
  587   2HD2  LEU  79          HD22      LEU  79   5.927  -0.231  -8.522
  588   3HD2  LEU  79          HD23      LEU  79   6.054  -1.527  -9.715
  589    H    VAL  80           H        VAL  80  10.423  -2.000  -7.503
  590    HA   VAL  80           HA       VAL  80  11.354   0.811  -7.297
  591    HB   VAL  80           HB       VAL  80  12.957  -1.763  -7.341
  592   1HG1  VAL  80          HG11      VAL  80  15.009  -0.475  -7.566
  593   2HG1  VAL  80          HG12      VAL  80  14.008  -0.192  -8.974
  594   3HG1  VAL  80          HG13      VAL  80  14.080   1.044  -7.687
  595   1HG2  VAL  80          HG21      VAL  80  12.338  -1.026  -5.091
  596   2HG2  VAL  80          HG22      VAL  80  14.073  -0.810  -5.346
  597   3HG2  VAL  80          HG23      VAL  80  12.985   0.586  -5.435
  598    H    LEU  81           H        LEU  81  11.561   1.757  -9.284
  599    HA   LEU  81           HA       LEU  81  11.024   0.079 -11.647
  600   1HB   LEU  81          HB2       LEU  81   9.098   1.602 -10.294
  601   2HB   LEU  81          HB3       LEU  81   9.539   2.609 -11.669
  602    HG   LEU  81           HG       LEU  81   8.818  -0.361 -11.902
  603   1HD1  LEU  81          HD11      LEU  81   6.616   0.448 -12.721
  604   2HD1  LEU  81          HD12      LEU  81   6.892   0.911 -11.035
  605   3HD1  LEU  81          HD13      LEU  81   7.098   2.116 -12.323
  606   1HD2  LEU  81          HD21      LEU  81   8.471   0.186 -14.270
  607   2HD2  LEU  81          HD22      LEU  81   9.078   1.836 -13.964
  608   3HD2  LEU  81          HD23      LEU  81  10.148   0.430 -13.774
  609    H    ALA  82           H        ALA  82  12.886   0.269 -12.653
  610    HA   ALA  82           HA       ALA  82  14.469   2.734 -12.544
  611   1HB   ALA  82          HB1       ALA  82  16.198   1.332 -13.616
  612   2HB   ALA  82          HB2       ALA  82  15.587   0.538 -12.151
  613   3HB   ALA  82          HB3       ALA  82  15.045  -0.006 -13.758
  614    H    MET  83           H        MET  83  14.587   4.084 -14.279
  615    HA   MET  83           HA       MET  83  12.811   3.925 -16.456
  616   1HB   MET  83          HB2       MET  83  15.486   5.344 -16.331
  617   2HB   MET  83          HB3       MET  83  14.258   5.609 -17.552
  618   1HG   MET  83          HG2       MET  83  14.175   6.391 -14.636
  619   2HG   MET  83          HG3       MET  83  14.162   7.392 -16.075
  620   1HE   MET  83          HE1       MET  83  10.476   5.847 -13.878
  621   2HE   MET  83          HE2       MET  83  11.771   4.670 -14.196
  622   3HE   MET  83          HE3       MET  83  12.105   6.116 -13.208
  623    H    THR  84           H        THR  84  16.165   2.615 -16.182
  624    HA   THR  84           HA       THR  84  15.790   1.330 -18.814
  625    HB   THR  84           HB       THR  84  18.457   2.528 -18.151
  626    HG1  THR  84           HG1      THR  84  17.802   4.519 -19.052
  627   1HG2  THR  84          HG21      THR  84  16.834   2.328 -20.729
  628   2HG2  THR  84          HG22      THR  84  18.496   2.936 -20.597
  629   3HG2  THR  84          HG23      THR  84  18.154   1.238 -20.244
  630    H    HIS  85           H        HIS  85  17.057  -0.538 -19.182
  631    HA   HIS  85           HA       HIS  85  16.991  -2.240 -16.944
  632   1HB   HIS  85          HB2       HIS  85  17.943  -3.935 -18.535
  633   2HB   HIS  85          HB3       HIS  85  16.487  -3.120 -19.075
  634    HD1  HIS  85           HD1      HIS  85  16.649  -1.816 -21.398
  635    HD2  HIS  85           HD2      HIS  85  20.309  -3.188 -19.825
  636    HE1  HIS  85           HE1      HIS  85  18.398  -1.404 -23.188
  637    H    GLN  86           H        GLN  86  19.733  -0.591 -18.480
  638    HA   GLN  86           HA       GLN  86  21.742  -1.958 -16.999
  639   1HB   GLN  86          HB2       GLN  86  22.276  -0.621 -18.993
  640   2HB   GLN  86          HB3       GLN  86  21.720   0.848 -18.190
  641   1HG   GLN  86          HG2       GLN  86  24.150   0.763 -18.214
  642   2HG   GLN  86          HG3       GLN  86  23.572   0.699 -16.561
  643   1HE2  GLN  86          HE22      GLN  86  23.722  -1.394 -15.386
  644   2HE2  GLN  86          HE21      GLN  86  24.882  -2.592 -15.927
  645    H    HIS  87           H        HIS  87  19.742   0.903 -16.254
  646    HA   HIS  87           HA       HIS  87  21.111   1.502 -13.828
  647   1HB   HIS  87          HB2       HIS  87  18.259   2.236 -14.554
  648   2HB   HIS  87          HB3       HIS  87  19.305   3.038 -13.388
  649    HD1  HIS  87           HD1      HIS  87  18.061   4.682 -15.855
  650    HD2  HIS  87           HD2      HIS  87  21.848   2.841 -15.778
  651    HE1  HIS  87           HE1      HIS  87  19.472   5.869 -17.583
  652    H    LYS  88           H        LYS  88  18.270  -0.510 -14.607
  653    HA   LYS  88           HA       LYS  88  17.665  -1.374 -11.967
  654   1HB   LYS  88          HB2       LYS  88  16.077  -2.071 -13.438
  655   2HB   LYS  88          HB3       LYS  88  17.215  -2.455 -14.718
  656   1HG   LYS  88          HG2       LYS  88  17.740  -4.579 -13.826
  657   2HG   LYS  88          HG3       LYS  88  17.034  -4.200 -12.250
  658   1HD   LYS  88          HD2       LYS  88  14.783  -4.120 -13.237
  659   2HD   LYS  88          HD3       LYS  88  15.455  -4.473 -14.843
  660   1HE   LYS  88          HE2       LYS  88  16.159  -6.659 -14.196
  661   2HE   LYS  88          HE3       LYS  88  15.939  -6.311 -12.471
  662   1HZ   LYS  88          HZ1       LYS  88  13.686  -6.449 -14.402
  663   2HZ   LYS  88          HZ2       LYS  88  14.149  -7.682 -13.444
  664   3HZ   LYS  88          HZ3       LYS  88  13.606  -6.310 -12.744
  665    H    GLN  89           H        GLN  89  20.058  -2.669 -14.266
  666    HA   GLN  89           HA       GLN  89  20.964  -4.678 -12.444
  667   1HB   GLN  89          HB2       GLN  89  22.198  -3.444 -14.931
  668   2HB   GLN  89          HB3       GLN  89  23.004  -4.726 -14.019
  669   1HG   GLN  89          HG2       GLN  89  21.257  -6.298 -14.429
  670   2HG   GLN  89          HG3       GLN  89  20.141  -5.059 -14.995
  671   1HE2  GLN  89          HE22      GLN  89  20.389  -4.145 -17.069
  672   2HE2  GLN  89          HE21      GLN  89  21.363  -4.928 -18.316
  673    H    ILE  90           H        ILE  90  21.989  -1.272 -12.855
  674    HA   ILE  90           HA       ILE  90  24.234  -1.519 -11.103
  675    HB   ILE  90           HB       ILE  90  22.500   0.916 -11.675
  676   1HG1  ILE  90          HG12      ILE  90  25.320   0.332 -12.697
  677   2HG1  ILE  90          HG13      ILE  90  23.888  -0.104 -13.601
  678   1HG2  ILE  90          HG21      ILE  90  23.680   1.218  -9.505
  679   2HG2  ILE  90          HG22      ILE  90  25.216   0.787 -10.275
  680   3HG2  ILE  90          HG23      ILE  90  24.361   2.277 -10.721
  681   1HD1  ILE  90          HD11      ILE  90  24.602   1.989 -14.477
  682   2HD1  ILE  90          HD12      ILE  90  23.156   2.336 -13.502
  683   3HD1  ILE  90          HD13      ILE  90  24.768   2.706 -12.869
  684    H    ILE  91           H        ILE  91  20.792  -0.800 -10.494
  685    HA   ILE  91           HA       ILE  91  21.010  -0.351  -7.707
  686    HB   ILE  91           HB       ILE  91  18.723  -1.527  -9.336
  687   1HG1  ILE  91          HG12      ILE  91  19.064   1.293  -8.243
  688   2HG1  ILE  91          HG13      ILE  91  19.545   0.853  -9.857
  689   1HG2  ILE  91          HG21      ILE  91  18.628  -0.410  -6.512
  690   2HG2  ILE  91          HG22      ILE  91  17.232  -0.934  -7.473
  691   3HG2  ILE  91          HG23      ILE  91  18.412  -2.121  -6.957
  692   1HD1  ILE  91          HD11      ILE  91  16.733   0.851  -8.762
  693   2HD1  ILE  91          HD12      ILE  91  17.404   1.779 -10.116
  694   3HD1  ILE  91          HD13      ILE  91  17.162   0.030 -10.276
  695    H    ALA  92           H        ALA  92  20.441  -3.341  -9.541
  696    HA   ALA  92           HA       ALA  92  20.359  -5.047  -7.264
  697   1HB   ALA  92          HB1       ALA  92  19.439  -5.661  -9.466
  698   2HB   ALA  92          HB2       ALA  92  21.078  -5.664 -10.166
  699   3HB   ALA  92          HB3       ALA  92  20.643  -6.865  -8.938
  700    H    SER  93           H        SER  93  23.081  -3.920  -9.257
  701    HA   SER  93           HA       SER  93  25.023  -5.647  -8.068
  702   1HB   SER  93          HB2       SER  93  25.420  -2.945  -9.417
  703   2HB   SER  93          HB3       SER  93  26.678  -4.148  -9.088
  704    HG   SER  93           HG       SER  93  24.422  -4.395 -10.802
  705    H    GLN  94           H        GLN  94  23.873  -2.365  -7.156
  706    HA   GLN  94           HA       GLN  94  25.987  -2.125  -5.161
  707   1HB   GLN  94          HB2       GLN  94  24.921  -0.089  -4.433
  708   2HB   GLN  94          HB3       GLN  94  25.187  -0.107  -6.176
  709   1HG   GLN  94          HG2       GLN  94  22.835  -0.440  -6.594
  710   2HG   GLN  94          HG3       GLN  94  22.499  -0.705  -4.888
  711   1HE2  GLN  94          HE22      GLN  94  21.220   0.978  -4.293
  712   2HE2  GLN  94          HE21      GLN  94  21.634   2.666  -4.462
  713    H    PHE  95           H        PHE  95  22.586  -3.176  -5.141
  714    HA   PHE  95           HA       PHE  95  22.656  -3.392  -2.199
  715   1HB   PHE  95          HB2       PHE  95  20.480  -3.802  -4.256
  716   2HB   PHE  95          HB3       PHE  95  20.240  -3.945  -2.517
  717    HD1  PHE  95           HD1      PHE  95  18.890  -2.094  -4.597
  718    HD2  PHE  95           HD2      PHE  95  22.032  -1.413  -1.707
  719    HE1  PHE  95           HE1      PHE  95  18.121   0.239  -4.278
  720    HE2  PHE  95           HE2      PHE  95  21.320   0.889  -1.472
  721    HZ   PHE  95           HZ       PHE  95  19.290   1.721  -2.660
  722    H    GLY  96           H        GLY  96  23.623  -5.547  -4.611
  723   1HA   GLY  96          HA2       GLY  96  24.552  -7.626  -4.104
  724   2HA   GLY  96          HA3       GLY  96  23.756  -7.622  -2.524
  725    H    ARG  97           H        ARG  97  22.665  -7.395  -5.908
  726    HA   ARG  97           HA       ARG  97  20.984  -8.210  -7.047
  727   1HB   ARG  97          HB2       ARG  97  22.621 -10.194  -6.851
  728   2HB   ARG  97          HB3       ARG  97  21.388 -10.946  -5.831
  729   1HG   ARG  97          HG2       ARG  97  19.727 -10.599  -7.727
  730   2HG   ARG  97          HG3       ARG  97  21.040  -9.943  -8.705
  731   1HD   ARG  97          HD2       ARG  97  20.861 -12.765  -7.577
  732   2HD   ARG  97          HD3       ARG  97  20.550 -12.299  -9.248
  733    HE   ARG  97           HE       ARG  97  23.133 -12.606  -7.894
  734   1HH1  ARG  97          HH21      ARG  97  21.519 -11.377 -10.812
  735   2HH1  ARG  97          HH22      ARG  97  22.962 -11.311 -11.751
  736   1HH2  ARG  97          HH11      ARG  97  25.050 -12.517  -9.146
  737   2HH2  ARG  97          HH12      ARG  97  25.010 -11.986 -10.783
  738    H    TYR  98           H        TYR  98  20.091  -6.822  -4.891
  739    HA   TYR  98           HA       TYR  98  17.700  -8.148  -3.866
  740   1HB   TYR  98          HB2       TYR  98  19.096  -6.093  -2.938
  741   2HB   TYR  98          HB3       TYR  98  18.030  -5.153  -3.964
  742    HD1  TYR  98           HD1      TYR  98  15.572  -7.291  -3.223
  743    HD2  TYR  98           HD2      TYR  98  18.369  -4.840  -1.019
  744    HE1  TYR  98           HE1      TYR  98  13.975  -7.142  -1.364
  745    HE2  TYR  98           HE2      TYR  98  16.756  -4.671   0.840
  746    HH   TYR  98           HH       TYR  98  14.642  -5.293   1.637
  747    H    ARG  99           H        ARG  99  18.305  -8.084  -6.829
  748    HA   ARG  99           HA       ARG  99  16.810  -6.391  -8.403
  749   1HB   ARG  99          HB2       ARG  99  18.578  -8.160  -8.945
  750   2HB   ARG  99          HB3       ARG  99  17.311  -9.375  -8.814
  751   1HG   ARG  99          HG2       ARG  99  16.124  -8.313 -10.736
  752   2HG   ARG  99          HG3       ARG  99  17.407  -7.082 -10.824
  753   1HD   ARG  99          HD2       ARG  99  19.091  -8.894 -11.166
  754   2HD   ARG  99          HD3       ARG  99  17.817 -10.103 -11.131
  755    HE   ARG  99           HE       ARG  99  18.552  -8.289 -13.292
  756   1HH1  ARG  99          HH21      ARG  99  15.981 -10.439 -12.104
  757   2HH1  ARG  99          HH22      ARG  99  15.307 -10.723 -13.663
  758   1HH2  ARG  99          HH11      ARG  99  17.664  -8.693 -15.374
  759   2HH2  ARG  99          HH12      ARG  99  16.268  -9.678 -15.554
  760    H    ASP 100           H        ASP 100  15.587  -8.938  -6.335
  761    HA   ASP 100           HA       ASP 100  13.430  -9.941  -7.700
  762   1HB   ASP 100          HB2       ASP 100  14.285 -10.829  -5.591
  763   2HB   ASP 100          HB3       ASP 100  13.714  -9.400  -4.725
  764    H    LYS 101           H        LYS 101  13.525  -6.761  -6.058
  765    HA   LYS 101           HA       LYS 101  10.624  -6.491  -6.616
  766   1HB   LYS 101          HB2       LYS 101  10.396  -4.941  -4.928
  767   2HB   LYS 101          HB3       LYS 101  11.407  -6.203  -4.236
  768   1HG   LYS 101          HG2       LYS 101  13.416  -4.749  -4.533
  769   2HG   LYS 101          HG3       LYS 101  12.427  -3.532  -5.332
  770   1HD   LYS 101          HD2       LYS 101  12.644  -2.708  -3.168
  771   2HD   LYS 101          HD3       LYS 101  11.014  -3.379  -3.208
  772   1HE   LYS 101          HE2       LYS 101  11.801  -5.426  -2.062
  773   2HE   LYS 101          HE3       LYS 101  13.474  -4.846  -2.161
  774   1HZ   LYS 101          HZ1       LYS 101  12.548  -4.451   0.019
  775   2HZ   LYS 101          HZ2       LYS 101  12.875  -3.012  -0.702
  776   3HZ   LYS 101          HZ3       LYS 101  11.337  -3.505  -0.588
  777    H    VAL 102           H        VAL 102  13.246  -5.912  -8.412
  778    HA   VAL 102           HA       VAL 102  12.473  -3.134  -9.029
  779    HB   VAL 102           HB       VAL 102  14.503  -2.371  -8.949
  780   1HG1  VAL 102          HG11      VAL 102  15.232  -4.860  -7.395
  781   2HG1  VAL 102          HG12      VAL 102  15.986  -3.264  -7.273
  782   3HG1  VAL 102          HG13      VAL 102  14.320  -3.488  -6.740
  783   1HG2  VAL 102          HG21      VAL 102  15.394  -3.344 -10.847
  784   2HG2  VAL 102          HG22      VAL 102  16.578  -3.283  -9.550
  785   3HG2  VAL 102          HG23      VAL 102  15.797  -4.854  -9.954
  786    H    PHE 103           H        PHE 103  11.971  -2.575 -11.047
  787    HA   PHE 103           HA       PHE 103  12.272  -4.586 -13.201
  788   1HB   PHE 103          HB2       PHE 103   9.737  -3.107 -12.395
  789   2HB   PHE 103          HB3       PHE 103   9.926  -4.132 -13.815
  790    HD1  PHE 103           HD1      PHE 103   9.963  -6.582 -13.633
  791    HD2  PHE 103           HD2      PHE 103   9.637  -4.097 -10.120
  792    HE1  PHE 103           HE1      PHE 103   9.321  -8.565 -12.285
  793    HE2  PHE 103           HE2      PHE 103   8.987  -6.084  -8.778
  794    HZ   PHE 103           HZ       PHE 103   8.837  -8.321  -9.855
  795    H    THR 104           H        THR 104  12.289  -3.688 -15.245
  796    HA   THR 104           HA       THR 104  13.121  -0.897 -15.401
  797    HB   THR 104           HB       THR 104  12.559  -2.597 -17.833
  798    HG1  THR 104           HG1      THR 104  13.728  -3.986 -16.360
  799   1HG2  THR 104          HG21      THR 104  13.414  -0.328 -18.170
  800   2HG2  THR 104          HG22      THR 104  14.748  -0.664 -17.051
  801   3HG2  THR 104          HG23      THR 104  14.646  -1.514 -18.620
  802    H    LEU 105           H        LEU 105  12.043   0.673 -16.696
  803    HA   LEU 105           HA       LEU 105   9.447   1.023 -16.086
  804   1HB   LEU 105          HB2       LEU 105  11.107   2.708 -16.750
  805   2HB   LEU 105          HB3       LEU 105  10.862   2.281 -18.446
  806    HG   LEU 105           HG       LEU 105   8.538   3.036 -18.311
  807   1HD1  LEU 105          HD11      LEU 105   9.149   3.688 -15.382
  808   2HD1  LEU 105          HD12      LEU 105   7.734   4.292 -16.260
  809   3HD1  LEU 105          HD13      LEU 105   7.904   2.563 -15.978
  810   1HD2  LEU 105          HD21      LEU 105  10.312   4.658 -18.843
  811   2HD2  LEU 105          HD22      LEU 105   8.981   5.449 -17.968
  812   3HD2  LEU 105          HD23      LEU 105  10.487   5.036 -17.129
  813    H    LYS 106           H        LYS 106  10.450  -0.111 -19.408
  814    HA   LYS 106           HA       LYS 106   7.595  -0.713 -19.935
  815   1HB   LYS 106          HB2       LYS 106  10.117  -0.919 -21.544
  816   2HB   LYS 106          HB3       LYS 106   8.807  -2.000 -21.944
  817   1HG   LYS 106          HG2       LYS 106   8.711  -0.012 -23.322
  818   2HG   LYS 106          HG3       LYS 106   7.263  -0.195 -22.330
  819   1HD   LYS 106          HD2       LYS 106   8.091   1.528 -20.762
  820   2HD   LYS 106          HD3       LYS 106   9.561   1.719 -21.719
  821   1HE   LYS 106          HE2       LYS 106   6.717   2.192 -22.752
  822   2HE   LYS 106          HE3       LYS 106   7.747   3.454 -22.085
  823   1HZ   LYS 106          HZ1       LYS 106   9.352   2.975 -23.884
  824   2HZ   LYS 106          HZ2       LYS 106   8.258   1.951 -24.574
  825   3HZ   LYS 106          HZ3       LYS 106   7.911   3.550 -24.401
  826    H    GLU 107           H        GLU 107  10.365  -2.488 -18.613
  827    HA   GLU 107           HA       GLU 107   9.495  -5.115 -19.206
  828   1HB   GLU 107          HB2       GLU 107  11.710  -4.578 -18.282
  829   2HB   GLU 107          HB3       GLU 107  10.950  -4.051 -16.776
  830   1HG   GLU 107          HG2       GLU 107  10.126  -6.408 -16.442
  831   2HG   GLU 107          HG3       GLU 107  11.072  -6.876 -17.864
  832    H    TYR 108           H        TYR 108   8.703  -2.991 -16.426
  833    HA   TYR 108           HA       TYR 108   7.109  -4.833 -15.023
  834   1HB   TYR 108          HB2       TYR 108   8.028  -2.727 -14.100
  835   2HB   TYR 108          HB3       TYR 108   6.949  -1.796 -15.125
  836    HD1  TYR 108           HD1      TYR 108   4.866  -1.110 -14.248
  837    HD2  TYR 108           HD2      TYR 108   6.854  -4.526 -12.510
  838    HE1  TYR 108           HE1      TYR 108   3.004  -1.378 -12.631
  839    HE2  TYR 108           HE2      TYR 108   5.002  -4.779 -10.887
  840    HH   TYR 108           HH       TYR 108   2.844  -4.100 -10.335
  841    H    VAL 109           H        VAL 109   6.276  -2.950 -17.894
  842    HA   VAL 109           HA       VAL 109   3.372  -3.356 -17.378
  843    HB   VAL 109           HB       VAL 109   4.723  -1.353 -19.218
  844   1HG1  VAL 109          HG11      VAL 109   2.613  -0.068 -18.933
  845   2HG1  VAL 109          HG12      VAL 109   2.358  -1.625 -19.722
  846   3HG1  VAL 109          HG13      VAL 109   1.937  -1.426 -18.005
  847   1HG2  VAL 109          HG21      VAL 109   4.328   0.301 -17.400
  848   2HG2  VAL 109          HG22      VAL 109   3.875  -1.039 -16.322
  849   3HG2  VAL 109          HG23      VAL 109   5.532  -0.888 -16.958
  850    H    THR 110           H        THR 110   5.933  -4.072 -19.703
  851    HA   THR 110           HA       THR 110   3.908  -5.115 -21.618
  852    HB   THR 110           HB       THR 110   5.425  -4.524 -23.377
  853    HG1  THR 110           HG1      THR 110   7.204  -3.641 -21.343
  854   1HG2  THR 110          HG21      THR 110   5.373  -2.122 -21.486
  855   2HG2  THR 110          HG22      THR 110   5.526  -2.112 -23.250
  856   3HG2  THR 110          HG23      THR 110   4.010  -2.646 -22.502
  857    H    GLY 111           H        GLY 111   6.411  -6.070 -19.484
  858   1HA   GLY 111          HA2       GLY 111   7.283  -8.147 -19.074
  859   2HA   GLY 111          HA3       GLY 111   6.465  -8.799 -20.501
  860    H    SER 112           H        SER 112   8.287  -5.971 -21.338
  861    HA   SER 112           HA       SER 112  10.722  -7.519 -22.010
  862   1HB   SER 112          HB2       SER 112   9.128  -5.724 -23.891
  863   2HB   SER 112          HB3       SER 112  10.656  -6.540 -24.267
  864    HG   SER 112           HG       SER 112   8.818  -7.676 -25.054
  865    H    HIS 113           H        HIS 113  12.611  -6.293 -21.879
  866    HA   HIS 113           HA       HIS 113  12.569  -3.949 -20.286
  867   1HB   HIS 113          HB2       HIS 113  14.767  -5.084 -22.062
  868   2HB   HIS 113          HB3       HIS 113  14.988  -3.784 -20.899
  869    HD1  HIS 113           HD1      HIS 113  14.637  -4.521 -18.202
  870    HD2  HIS 113           HD2      HIS 113  14.917  -7.556 -21.122
  871    HE1  HIS 113           HE1      HIS 113  15.090  -6.677 -16.955
  872    H    GLY 114           H        GLY 114  12.849  -1.762 -20.778
  873   1HA   GLY 114          HA2       GLY 114  13.559  -0.548 -23.158
  874   2HA   GLY 114          HA3       GLY 114  11.801  -0.792 -23.249
  875    H    ASP 115           H        ASP 115  12.534   1.760 -23.221
  876    HA   ASP 115           HA       ASP 115  11.971   2.792 -20.518
  877   1HB   ASP 115          HB2       ASP 115  14.425   2.920 -20.950
  878   2HB   ASP 115          HB3       ASP 115  14.101   3.824 -22.429
  879    H    VAL 116           H        VAL 116  11.257   5.135 -20.734
  880    HA   VAL 116           HA       VAL 116   9.370   5.510 -23.011
  881    HB   VAL 116           HB       VAL 116   9.865   6.809 -20.309
  882   1HG1  VAL 116          HG11      VAL 116   7.964   8.321 -20.649
  883   2HG1  VAL 116          HG12      VAL 116   9.295   8.707 -21.733
  884   3HG1  VAL 116          HG13      VAL 116   7.874   7.852 -22.349
  885   1HG2  VAL 116          HG21      VAL 116   7.388   5.515 -21.536
  886   2HG2  VAL 116          HG22      VAL 116   8.500   4.713 -20.414
  887   3HG2  VAL 116          HG23      VAL 116   7.550   6.101 -19.875
  888    H    LEU 117           H        LEU 117   9.488   7.800 -24.036
  889    HA   LEU 117           HA       LEU 117  11.883   8.504 -25.258
  890   1HB   LEU 117          HB2       LEU 117   9.423   9.333 -25.566
  891   2HB   LEU 117          HB3       LEU 117   9.764  10.462 -24.279
  892    HG   LEU 117           HG       LEU 117   9.905  11.575 -26.367
  893   1HD1  LEU 117          HD11      LEU 117  11.693  12.183 -24.690
  894   2HD1  LEU 117          HD12      LEU 117  12.830  11.226 -25.675
  895   3HD1  LEU 117          HD13      LEU 117  12.006  12.619 -26.376
  896   1HD2  LEU 117          HD21      LEU 117  10.289   9.610 -27.814
  897   2HD2  LEU 117          HD22      LEU 117  11.379  10.947 -28.205
  898   3HD2  LEU 117          HD23      LEU 117  11.987   9.550 -27.294
  899    H    ASP 118           H        ASP 118  13.760   9.457 -24.461
  900    HA   ASP 118           HA       ASP 118  13.837  10.396 -21.646
  901   1HB   ASP 118          HB2       ASP 118  15.516   8.786 -22.072
  902   2HB   ASP 118          HB3       ASP 118  16.018   9.597 -23.561
  903    HA   PRO 119           HA       PRO 119  13.900  14.392 -23.798
  904   1HB   PRO 119          HB2       PRO 119  12.524  15.910 -22.052
  905   2HB   PRO 119          HB3       PRO 119  11.707  14.581 -22.902
  906   1HG   PRO 119          HG2       PRO 119  12.965  14.493 -20.125
  907   2HG   PRO 119          HG3       PRO 119  11.287  14.064 -20.570
  908   1HD   PRO 119          HD2       PRO 119  13.308  12.201 -20.410
  909   2HD   PRO 119          HD3       PRO 119  11.999  12.080 -21.624
  910    H    PHE 120           H        PHE 120  15.746  13.391 -21.103
  911    HA   PHE 120           HA       PHE 120  16.099  15.637 -19.604
  912   1HB   PHE 120          HB2       PHE 120  16.938  13.390 -19.062
  913   2HB   PHE 120          HB3       PHE 120  18.272  13.621 -20.190
  914    HD1  PHE 120           HD1      PHE 120  16.653  15.014 -17.098
  915    HD2  PHE 120           HD2      PHE 120  20.253  14.804 -19.475
  916    HE1  PHE 120           HE1      PHE 120  17.915  16.150 -15.294
  917    HE2  PHE 120           HE2      PHE 120  21.506  15.946 -17.664
  918    HZ   PHE 120           HZ       PHE 120  20.343  16.620 -15.570
  919    H    GLY 121           H        GLY 121  16.520  17.654 -20.166
  920   1HA   GLY 121          HA2       GLY 121  17.992  19.398 -20.615
  921   2HA   GLY 121          HA3       GLY 121  19.061  18.311 -21.508
  922    H    GLY 122           H        GLY 122  15.886  17.782 -22.616
  923   1HA   GLY 122          HA2       GLY 122  16.325  19.205 -25.127
  924   2HA   GLY 122          HA3       GLY 122  14.974  18.155 -24.678
  925    H    SER 123           H        SER 123  14.042  20.186 -25.968
  926    HA   SER 123           HA       SER 123  13.473  22.533 -24.332
  927   1HB   SER 123          HB2       SER 123  11.952  23.003 -26.328
  928   2HB   SER 123          HB3       SER 123  13.686  22.912 -26.665
  929    HG   SER 123           HG       SER 123  12.495  21.741 -28.196
  930    H    ILE 124           H        ILE 124  11.090  23.055 -24.036
  931    HA   ILE 124           HA       ILE 124   9.799  21.199 -22.398
  932    HB   ILE 124           HB       ILE 124   9.365  23.533 -22.227
  933   1HG1  ILE 124          HG12      ILE 124   6.944  23.704 -22.146
  934   2HG1  ILE 124          HG13      ILE 124   6.752  22.312 -23.207
  935   1HG2  ILE 124          HG21      ILE 124   9.643  24.293 -24.550
  936   2HG2  ILE 124          HG22      ILE 124   8.114  23.504 -25.003
  937   3HG2  ILE 124          HG23      ILE 124   8.125  24.869 -23.877
  938   1HD1  ILE 124          HD11      ILE 124   7.600  20.813 -21.465
  939   2HD1  ILE 124          HD12      ILE 124   8.005  22.204 -20.427
  940   3HD1  ILE 124          HD13      ILE 124   6.311  21.824 -20.813
  941    H    ASP 125           H        ASP 125   9.580  21.588 -25.905
  942    HA   ASP 125           HA       ASP 125   7.269  19.991 -26.283
  943   1HB   ASP 125          HB2       ASP 125   8.231  21.399 -28.063
  944   2HB   ASP 125          HB3       ASP 125   9.644  20.338 -28.146
  945    H    ILE 126           H        ILE 126  10.664  19.066 -25.799
  946    HA   ILE 126           HA       ILE 126  10.229  16.302 -26.601
  947    HB   ILE 126           HB       ILE 126  12.481  17.249 -24.819
  948   1HG1  ILE 126          HG12      ILE 126  12.553  18.818 -26.646
  949   2HG1  ILE 126          HG13      ILE 126  13.863  17.671 -26.811
  950   1HG2  ILE 126          HG21      ILE 126  12.279  15.040 -26.921
  951   2HG2  ILE 126          HG22      ILE 126  13.699  15.404 -25.918
  952   3HG2  ILE 126          HG23      ILE 126  12.201  14.813 -25.177
  953   1HD1  ILE 126          HD11      ILE 126  12.834  18.228 -28.978
  954   2HD1  ILE 126          HD12      ILE 126  12.657  16.504 -28.626
  955   3HD1  ILE 126          HD13      ILE 126  11.272  17.604 -28.428
  956    H    TYR 127           H        TYR 127  10.249  18.135 -23.562
  957    HA   TYR 127           HA       TYR 127   9.713  15.903 -21.855
  958   1HB   TYR 127          HB2       TYR 127   9.425  18.920 -21.588
  959   2HB   TYR 127          HB3       TYR 127   8.880  17.826 -20.329
  960    HD1  TYR 127           HD1      TYR 127  10.362  16.448 -19.096
  961    HD2  TYR 127           HD2      TYR 127  11.923  19.173 -22.002
  962    HE1  TYR 127           HE1      TYR 127  12.615  16.265 -18.031
  963    HE2  TYR 127           HE2      TYR 127  14.176  18.984 -21.003
  964    HH   TYR 127           HH       TYR 127  14.817  17.012 -18.074
  965    H    LYS 128           H        LYS 128   7.663  18.102 -23.700
  966    HA   LYS 128           HA       LYS 128   5.181  17.166 -22.644
  967   1HB   LYS 128          HB2       LYS 128   5.514  19.315 -23.856
  968   2HB   LYS 128          HB3       LYS 128   5.767  18.444 -25.353
  969   1HG   LYS 128          HG2       LYS 128   3.210  17.847 -23.880
  970   2HG   LYS 128          HG3       LYS 128   3.384  19.474 -24.551
  971   1HD   LYS 128          HD2       LYS 128   3.857  18.580 -26.767
  972   2HD   LYS 128          HD3       LYS 128   3.731  16.914 -26.157
  973   1HE   LYS 128          HE2       LYS 128   1.372  17.329 -25.498
  974   2HE   LYS 128          HE3       LYS 128   1.495  18.995 -26.076
  975   1HZ   LYS 128          HZ1       LYS 128   1.851  18.126 -28.314
  976   2HZ   LYS 128          HZ2       LYS 128   1.736  16.582 -27.784
  977   3HZ   LYS 128          HZ3       LYS 128   0.446  17.572 -27.712
  978    H    GLN 129           H        GLN 129   7.087  16.098 -25.463
  979    HA   GLN 129           HA       GLN 129   5.238  14.082 -26.293
  980   1HB   GLN 129          HB2       GLN 129   8.277  14.274 -26.565
  981   2HB   GLN 129          HB3       GLN 129   7.320  12.976 -27.273
  982   1HG   GLN 129          HG2       GLN 129   6.076  14.591 -28.658
  983   2HG   GLN 129          HG3       GLN 129   6.974  15.927 -27.948
  984   1HE2  GLN 129          HE21      GLN 129   8.553  16.679 -29.427
  985   2HE2  GLN 129          HE22      GLN 129   9.517  15.607 -30.415
  986    H    THR 130           H        THR 130   7.912  14.078 -23.976
  987    HA   THR 130           HA       THR 130   7.794  11.341 -23.278
  988    HB   THR 130           HB       THR 130   8.678  13.772 -21.655
  989    HG1  THR 130           HG1      THR 130   9.827  13.595 -23.544
  990   1HG2  THR 130          HG21      THR 130   8.384  11.842 -20.166
  991   2HG2  THR 130          HG22      THR 130   9.322  10.835 -21.289
  992   3HG2  THR 130          HG23      THR 130  10.096  12.171 -20.416
  993    H    ARG 131           H        ARG 131   6.134  14.176 -21.833
  994    HA   ARG 131           HA       ARG 131   5.114  12.636 -19.683
  995   1HB   ARG 131          HB2       ARG 131   4.217  14.519 -18.866
  996   2HB   ARG 131          HB3       ARG 131   5.247  15.296 -20.053
  997   1HG   ARG 131          HG2       ARG 131   3.216  15.352 -21.619
  998   2HG   ARG 131          HG3       ARG 131   2.281  14.660 -20.282
  999   1HD   ARG 131          HD2       ARG 131   1.795  16.914 -20.185
 1000   2HD   ARG 131          HD3       ARG 131   2.977  16.695 -18.893
 1001    HE   ARG 131           HE       ARG 131   4.683  17.557 -20.538
 1002   1HH1  ARG 131          HH21      ARG 131   1.251  18.587 -20.874
 1003   2HH1  ARG 131          HH22      ARG 131   1.727  20.109 -21.603
 1004   1HH2  ARG 131          HH11      ARG 131   5.127  19.671 -21.550
 1005   2HH2  ARG 131          HH12      ARG 131   3.745  20.682 -21.917
 1006    H    ASP 132           H        ASP 132   3.877  13.174 -22.949
 1007    HA   ASP 132           HA       ASP 132   1.283  12.095 -22.433
 1008   1HB   ASP 132          HB2       ASP 132   1.738  13.445 -24.425
 1009   2HB   ASP 132          HB3       ASP 132   2.902  12.251 -25.005
 1010    H    GLU 133           H        GLU 133   4.339  10.575 -23.510
 1011    HA   GLU 133           HA       GLU 133   3.135   7.972 -23.824
 1012   1HB   GLU 133          HB2       GLU 133   5.237   8.553 -24.978
 1013   2HB   GLU 133          HB3       GLU 133   6.048   8.809 -23.427
 1014   1HG   GLU 133          HG2       GLU 133   5.696   6.409 -22.852
 1015   2HG   GLU 133          HG3       GLU 133   4.844   6.165 -24.378
 1016    H    LEU 134           H        LEU 134   4.883   9.637 -21.258
 1017    HA   LEU 134           HA       LEU 134   5.092   7.486 -19.468
 1018   1HB   LEU 134          HB2       LEU 134   6.315   9.740 -19.485
 1019   2HB   LEU 134          HB3       LEU 134   4.862  10.446 -18.784
 1020    HG   LEU 134           HG       LEU 134   5.162   8.953 -16.787
 1021   1HD1  LEU 134          HD11      LEU 134   6.433   7.085 -17.770
 1022   2HD1  LEU 134          HD12      LEU 134   7.755   8.186 -18.208
 1023   3HD1  LEU 134          HD13      LEU 134   7.406   7.838 -16.504
 1024   1HD2  LEU 134          HD21      LEU 134   7.224  10.172 -15.974
 1025   2HD2  LEU 134          HD22      LEU 134   7.485  10.752 -17.625
 1026   3HD2  LEU 134          HD23      LEU 134   6.028  11.230 -16.738
 1027    H    GLU 135           H        GLU 135   2.494   9.927 -19.874
 1028    HA   GLU 135           HA       GLU 135   1.007   9.054 -17.608
 1029   1HB   GLU 135          HB2       GLU 135   0.690  11.243 -18.906
 1030   2HB   GLU 135          HB3       GLU 135  -0.102  10.284 -20.161
 1031   1HG   GLU 135          HG2       GLU 135  -1.599   9.461 -18.074
 1032   2HG   GLU 135          HG3       GLU 135  -1.013  10.955 -17.357
 1033    H    GLU 136           H        GLU 136   0.998   8.026 -21.020
 1034    HA   GLU 136           HA       GLU 136  -1.298   6.371 -20.761
 1035   1HB   GLU 136          HB2       GLU 136  -0.155   7.246 -22.916
 1036   2HB   GLU 136          HB3       GLU 136   1.045   5.981 -22.689
 1037   1HG   GLU 136          HG2       GLU 136  -0.600   5.237 -24.295
 1038   2HG   GLU 136          HG3       GLU 136  -0.748   4.259 -22.836
 1039    H    LEU 137           H        LEU 137   2.165   5.745 -20.364
 1040    HA   LEU 137           HA       LEU 137   1.931   2.963 -19.807
 1041   1HB   LEU 137          HB2       LEU 137   4.031   4.336 -20.418
 1042   2HB   LEU 137          HB3       LEU 137   4.002   4.931 -18.757
 1043    HG   LEU 137           HG       LEU 137   3.932   2.399 -18.089
 1044   1HD1  LEU 137          HD11      LEU 137   3.553   1.485 -20.385
 1045   2HD1  LEU 137          HD12      LEU 137   5.065   2.223 -20.934
 1046   3HD1  LEU 137          HD13      LEU 137   5.104   0.917 -19.738
 1047   1HD2  LEU 137          HD21      LEU 137   6.367   2.284 -18.125
 1048   2HD2  LEU 137          HD22      LEU 137   6.433   3.621 -19.306
 1049   3HD2  LEU 137          HD23      LEU 137   5.817   3.900 -17.661
 1050    H    LEU 138           H        LEU 138   1.932   5.862 -17.717
 1051    HA   LEU 138           HA       LEU 138   1.920   4.326 -15.301
 1052   1HB   LEU 138          HB2       LEU 138   1.698   7.230 -15.980
 1053   2HB   LEU 138          HB3       LEU 138   1.090   6.709 -14.423
 1054    HG   LEU 138           HG       LEU 138   3.150   5.830 -13.698
 1055   1HD1  LEU 138          HD11      LEU 138   4.458   6.429 -16.376
 1056   2HD1  LEU 138          HD12      LEU 138   5.258   5.845 -14.913
 1057   3HD1  LEU 138          HD13      LEU 138   4.107   4.811 -15.752
 1058   1HD2  LEU 138          HD21      LEU 138   4.533   7.824 -13.702
 1059   2HD2  LEU 138          HD22      LEU 138   3.642   8.475 -15.100
 1060   3HD2  LEU 138          HD23      LEU 138   2.826   8.248 -13.537
 1061    H    ARG 139           H        ARG 139  -0.697   5.419 -17.395
 1062    HA   ARG 139           HA       ARG 139  -2.706   4.784 -15.409
 1063   1HB   ARG 139          HB2       ARG 139  -2.795   5.201 -18.404
 1064   2HB   ARG 139          HB3       ARG 139  -4.201   4.573 -17.517
 1065   1HG   ARG 139          HG2       ARG 139  -4.096   6.512 -15.965
 1066   2HG   ARG 139          HG3       ARG 139  -2.780   7.212 -16.902
 1067   1HD   ARG 139          HD2       ARG 139  -5.500   6.581 -18.137
 1068   2HD   ARG 139          HD3       ARG 139  -5.189   8.069 -17.255
 1069    HE   ARG 139           HE       ARG 139  -3.852   8.907 -18.927
 1070   1HH1  ARG 139          HH21      ARG 139  -4.768   5.578 -19.838
 1071   2HH1  ARG 139          HH22      ARG 139  -4.039   5.700 -21.411
 1072   1HH2  ARG 139          HH11      ARG 139  -3.153   9.127 -20.934
 1073   2HH2  ARG 139          HH12      ARG 139  -3.185   7.802 -22.116
 1074    H    GLN 140           H        GLN 140  -0.902   2.843 -17.808
 1075    HA   GLN 140           HA       GLN 140  -2.377   0.458 -17.203
 1076   1HB   GLN 140          HB2       GLN 140   0.498   0.606 -18.134
 1077   2HB   GLN 140          HB3       GLN 140  -0.557  -0.811 -18.122
 1078   1HG   GLN 140          HG2       GLN 140  -2.007   0.195 -19.812
 1079   2HG   GLN 140          HG3       GLN 140  -1.033   1.670 -19.807
 1080   1HE2  GLN 140          HE22      GLN 140  -0.752  -1.899 -20.413
 1081   2HE2  GLN 140          HE21      GLN 140   0.525  -1.745 -21.588
 1082    H    LEU 141           H        LEU 141   0.518   1.961 -15.725
 1083    HA   LEU 141           HA       LEU 141   1.061  -0.061 -13.817
 1084   1HB   LEU 141          HB2       LEU 141   1.410   2.947 -13.674
 1085   2HB   LEU 141          HB3       LEU 141   1.555   1.994 -12.219
 1086    HG   LEU 141           HG       LEU 141   3.383   0.697 -13.161
 1087   1HD1  LEU 141          HD11      LEU 141   2.863   0.937 -15.583
 1088   2HD1  LEU 141          HD12      LEU 141   3.324   2.644 -15.497
 1089   3HD1  LEU 141          HD13      LEU 141   4.534   1.391 -15.184
 1090   1HD2  LEU 141          HD21      LEU 141   3.864   2.638 -11.788
 1091   2HD2  LEU 141          HD22      LEU 141   5.041   2.563 -13.110
 1092   3HD2  LEU 141          HD23      LEU 141   3.707   3.720 -13.184
 1093    H    ALA 142           H        ALA 142  -1.285   2.613 -13.643
 1094    HA   ALA 142           HA       ALA 142  -2.233   2.012 -11.049
 1095   1HB   ALA 142          HB1       ALA 142  -4.149   3.424 -11.588
 1096   2HB   ALA 142          HB2       ALA 142  -2.653   4.150 -12.207
 1097   3HB   ALA 142          HB3       ALA 142  -3.777   3.334 -13.319
 1098    H    LYS 143           H        LYS 143  -3.273   0.779 -14.233
 1099    HA   LYS 143           HA       LYS 143  -5.479  -0.766 -13.286
 1100   1HB   LYS 143          HB2       LYS 143  -3.617  -1.360 -15.626
 1101   2HB   LYS 143          HB3       LYS 143  -5.108  -2.220 -15.281
 1102   1HG   LYS 143          HG2       LYS 143  -6.454  -0.242 -15.683
 1103   2HG   LYS 143          HG3       LYS 143  -5.023   0.775 -15.803
 1104   1HD   LYS 143          HD2       LYS 143  -5.777   0.379 -18.028
 1105   2HD   LYS 143          HD3       LYS 143  -4.279  -0.545 -17.820
 1106   1HE   LYS 143          HE2       LYS 143  -5.602  -2.613 -17.440
 1107   2HE   LYS 143          HE3       LYS 143  -7.104  -1.689 -17.562
 1108   1HZ   LYS 143          HZ1       LYS 143  -5.150  -2.051 -19.761
 1109   2HZ   LYS 143          HZ2       LYS 143  -6.588  -2.802 -19.632
 1110   3HZ   LYS 143          HZ3       LYS 143  -6.540  -1.194 -19.869
 1111    H    GLN 144           H        GLN 144  -2.010  -1.564 -13.595
 1112    HA   GLN 144           HA       GLN 144  -2.268  -4.267 -12.758
 1113   1HB   GLN 144          HB2       GLN 144   0.110  -2.368 -12.599
 1114   2HB   GLN 144          HB3       GLN 144   0.191  -4.091 -12.235
 1115   1HG   GLN 144          HG2       GLN 144  -0.487  -4.680 -14.500
 1116   2HG   GLN 144          HG3       GLN 144  -0.762  -2.995 -14.919
 1117   1HE2  GLN 144          HE22      GLN 144   1.787  -5.375 -14.091
 1118   2HE2  GLN 144          HE21      GLN 144   3.087  -4.466 -14.841
 1119    H    LEU 145           H        LEU 145  -1.581  -1.295 -10.794
 1120    HA   LEU 145           HA       LEU 145  -1.370  -2.785  -8.346
 1121   1HB   LEU 145          HB2       LEU 145  -2.248   0.108  -8.578
 1122   2HB   LEU 145          HB3       LEU 145  -1.597  -0.714  -7.163
 1123    HG   LEU 145           HG       LEU 145  -0.165   0.167  -9.666
 1124   1HD1  LEU 145          HD11      LEU 145   1.130   1.485  -8.171
 1125   2HD1  LEU 145          HD12      LEU 145  -0.566   1.717  -7.725
 1126   3HD1  LEU 145          HD13      LEU 145   0.458   0.651  -6.746
 1127   1HD2  LEU 145          HD21      LEU 145   0.754  -2.090  -9.200
 1128   2HD2  LEU 145          HD22      LEU 145   1.927  -0.831  -8.820
 1129   3HD2  LEU 145          HD23      LEU 145   1.032  -1.620  -7.511
 1130    H    LYS 146           H        LYS 146  -4.176  -1.134  -9.913
 1131    HA   LYS 146           HA       LYS 146  -6.046  -1.720  -7.831
 1132   1HB   LYS 146          HB2       LYS 146  -6.156  -1.063 -10.766
 1133   2HB   LYS 146          HB3       LYS 146  -7.621  -1.718 -10.032
 1134   1HG   LYS 146          HG2       LYS 146  -6.132   0.740  -9.050
 1135   2HG   LYS 146          HG3       LYS 146  -7.489   0.762 -10.172
 1136   1HD   LYS 146          HD2       LYS 146  -8.887  -0.401  -8.382
 1137   2HD   LYS 146          HD3       LYS 146  -7.545  -0.107  -7.247
 1138   1HE   LYS 146          HE2       LYS 146  -7.672   2.336  -7.781
 1139   2HE   LYS 146          HE3       LYS 146  -9.002   2.014  -8.892
 1140   1HZ   LYS 146          HZ1       LYS 146  -9.798   2.815  -6.816
 1141   2HZ   LYS 146          HZ2       LYS 146 -10.328   1.279  -7.006
 1142   3HZ   LYS 146          HZ3       LYS 146  -9.102   1.597  -5.964
 1143    H    LYS 147           H        LYS 147  -4.851  -3.725 -10.556
 1144    HA   LYS 147           HA       LYS 147  -6.753  -5.804 -10.188
 1145   1HB   LYS 147          HB2       LYS 147  -5.414  -5.420 -12.239
 1146   2HB   LYS 147          HB3       LYS 147  -3.958  -5.971 -11.396
 1147   1HG   LYS 147          HG2       LYS 147  -5.013  -8.192 -11.030
 1148   2HG   LYS 147          HG3       LYS 147  -6.468  -7.644 -11.871
 1149   1HD   LYS 147          HD2       LYS 147  -3.681  -7.839 -13.101
 1150   2HD   LYS 147          HD3       LYS 147  -4.959  -9.053 -13.261
 1151   1HE   LYS 147          HE2       LYS 147  -6.431  -7.349 -14.344
 1152   2HE   LYS 147          HE3       LYS 147  -5.116  -6.171 -14.254
 1153   1HZ   LYS 147          HZ1       LYS 147  -3.803  -7.632 -15.686
 1154   2HZ   LYS 147          HZ2       LYS 147  -5.024  -8.717 -15.768
 1155   3HZ   LYS 147          HZ3       LYS 147  -5.204  -7.235 -16.416
 1156    H    ASP 148           H        ASP 148  -3.313  -5.590  -8.981
 1157    HA   ASP 148           HA       ASP 148  -4.045  -7.629  -6.926
 1158   1HB   ASP 148          HB2       ASP 148  -3.254  -8.677  -9.133
 1159   2HB   ASP 148          HB3       ASP 148  -1.673  -7.966  -8.787
 1160    H    ARG 149           H        ARG 149  -3.106  -4.719  -6.850
 1161    HA   ARG 149           HA       ARG 149  -1.867  -3.373  -5.602
 1162   1HB   ARG 149          HB2       ARG 149  -2.568  -4.934  -3.794
 1163   2HB   ARG 149          HB3       ARG 149  -1.038  -5.798  -3.970
 1164   1HG   ARG 149          HG2       ARG 149   0.213  -3.769  -3.333
 1165   2HG   ARG 149          HG3       ARG 149  -1.300  -2.863  -3.179
 1166   1HD   ARG 149          HD2       ARG 149  -0.523  -5.346  -1.584
 1167   2HD   ARG 149          HD3       ARG 149  -0.311  -3.683  -1.021
 1168    HE   ARG 149           HE       ARG 149  -2.980  -3.790  -1.669
 1169   1HH1  ARG 149          HH22      ARG 149  -0.914  -5.679   0.516
 1170   2HH1  ARG 149          HH21      ARG 149  -2.188  -6.077   1.607
 1171   1HH2  ARG 149          HH12      ARG 149  -4.681  -4.326  -0.220
 1172   2HH2  ARG 149          HH11      ARG 149  -4.374  -5.282   1.179
 1173    H    ARG 150           H        ARG 150  -0.206  -5.915  -7.268
 1174    HA   ARG 150           HA       ARG 150   2.308  -4.366  -7.394
 1175   1HB   ARG 150          HB2       ARG 150   1.917  -7.281  -6.569
 1176   2HB   ARG 150          HB3       ARG 150   3.459  -6.643  -7.137
 1177   1HG   ARG 150          HG2       ARG 150   3.707  -5.203  -5.243
 1178   2HG   ARG 150          HG3       ARG 150   2.048  -5.516  -4.680
 1179   1HD   ARG 150          HD2       ARG 150   2.527  -7.835  -4.281
 1180   2HD   ARG 150          HD3       ARG 150   4.142  -7.694  -4.998
 1181    HE   ARG 150           HE       ARG 150   4.330  -5.856  -3.027
 1182   1HH1  ARG 150          HH11      ARG 150   3.064  -9.188  -2.878
 1183   2HH1  ARG 150          HH12      ARG 150   3.667  -9.487  -1.292
 1184   1HH2  ARG 150          HH22      ARG 150   5.267  -6.320  -1.019
 1185   2HH2  ARG 150          HH21      ARG 150   4.887  -7.793  -0.174
  Start of MODEL   19
    1   1H    MET   1           H1       MET   1   3.041  -0.608   0.754
    2   2H    MET   1           H2       MET   1   1.678   0.102   0.203
    3   3H    MET   1           H3       MET   1   1.838  -1.532   0.132
    4    HA   MET   1           HA       MET   1   3.659  -1.324  -1.439
    5   1HB   MET   1          HB2       MET   1   1.358  -1.602  -2.316
    6   2HB   MET   1          HB3       MET   1   1.128   0.148  -2.318
    7   1HG   MET   1          HG2       MET   1   1.638  -0.732  -4.546
    8   2HG   MET   1          HG3       MET   1   2.867   0.413  -4.035
    9   1HE   MET   1          HE1       MET   1   4.116  -2.847  -6.329
   10   2HE   MET   1          HE2       MET   1   2.411  -2.435  -6.106
   11   3HE   MET   1          HE3       MET   1   3.582  -1.157  -6.510
   12    H    ASP   2           H        ASP   2   5.475  -0.063  -1.749
   13    HA   ASP   2           HA       ASP   2   5.117   2.840  -2.002
   14   1HB   ASP   2          HB2       ASP   2   5.908   2.638   0.257
   15   2HB   ASP   2          HB3       ASP   2   7.191   1.537  -0.252
   16    H    ILE   3           H        ILE   3   6.108   3.531  -3.814
   17    HA   ILE   3           HA       ILE   3   7.746   1.551  -5.304
   18    HB   ILE   3           HB       ILE   3   5.948   3.702  -6.439
   19   1HG1  ILE   3          HG12      ILE   3   5.218   0.771  -6.060
   20   2HG1  ILE   3          HG13      ILE   3   4.564   2.116  -5.133
   21   1HG2  ILE   3          HG21      ILE   3   7.671   3.024  -7.994
   22   2HG2  ILE   3          HG22      ILE   3   7.308   1.312  -7.733
   23   3HG2  ILE   3          HG23      ILE   3   6.140   2.377  -8.550
   24   1HD1  ILE   3          HD11      ILE   3   3.661   3.116  -7.245
   25   2HD1  ILE   3          HD12      ILE   3   4.093   1.594  -8.071
   26   3HD1  ILE   3          HD13      ILE   3   2.943   1.579  -6.724
   27    H    ILE   4           H        ILE   4   9.839   2.190  -5.782
   28    HA   ILE   4           HA       ILE   4  10.471   5.088  -5.712
   29    HB   ILE   4           HB       ILE   4  12.476   2.830  -5.910
   30   1HG1  ILE   4          HG12      ILE   4  11.610   4.222  -3.347
   31   2HG1  ILE   4          HG13      ILE   4  11.197   2.564  -3.804
   32   1HG2  ILE   4          HG21      ILE   4  12.789   5.727  -4.984
   33   2HG2  ILE   4          HG22      ILE   4  14.086   4.556  -5.315
   34   3HG2  ILE   4          HG23      ILE   4  13.122   5.178  -6.635
   35   1HD1  ILE   4          HD11      ILE   4  13.078   2.537  -2.272
   36   2HD1  ILE   4          HD12      ILE   4  13.599   1.948  -3.860
   37   3HD1  ILE   4          HD13      ILE   4  14.012   3.586  -3.337
   38    H    PHE   5           H        PHE   5  10.034   5.961  -7.702
   39    HA   PHE   5           HA       PHE   5  10.574   4.509 -10.194
   40   1HB   PHE   5          HB2       PHE   5   9.901   7.429  -9.561
   41   2HB   PHE   5          HB3       PHE   5  10.154   6.808 -11.182
   42    HD1  PHE   5           HD1      PHE   5   8.632   4.869 -12.010
   43    HD2  PHE   5           HD2      PHE   5   7.711   7.344  -8.593
   44    HE1  PHE   5           HE1      PHE   5   6.240   4.237 -12.193
   45    HE2  PHE   5           HE2      PHE   5   5.319   6.716  -8.797
   46    HZ   PHE   5           HZ       PHE   5   4.580   5.157 -10.587
   47    H    VAL   6           H        VAL   6  12.605   4.636 -11.255
   48    HA   VAL   6           HA       VAL   6  14.535   6.562 -10.147
   49    HB   VAL   6           HB       VAL   6  14.363   4.632  -8.618
   50   1HG1  VAL   6          HG11      VAL   6  13.864   2.851 -10.185
   51   2HG1  VAL   6          HG12      VAL   6  15.543   2.929 -10.805
   52   3HG1  VAL   6          HG13      VAL   6  15.214   2.475  -9.118
   53   1HG2  VAL   6          HG21      VAL   6  16.885   4.069  -8.655
   54   2HG2  VAL   6          HG22      VAL   6  16.943   5.318  -9.923
   55   3HG2  VAL   6          HG23      VAL   6  16.325   5.690  -8.308
   56    H    CYS   7           H        CYS   7  15.948   7.347 -11.450
   57    HA   CYS   7           HA       CYS   7  16.904   5.890 -13.782
   58   1HB   CYS   7          HB2       CYS   7  16.507   7.713 -15.349
   59   2HB   CYS   7          HB3       CYS   7  14.959   7.188 -14.660
   60    HG   CYS   7           HG       CYS   7  14.805   8.982 -12.838
   61    H    THR   8           H        THR   8  18.908   7.123 -14.637
   62    HA   THR   8           HA       THR   8  20.531   6.699 -12.606
   63    HB   THR   8           HB       THR   8  21.364   8.443 -14.941
   64    HG1  THR   8           HG1      THR   8  21.259   6.620 -16.206
   65   1HG2  THR   8          HG21      THR   8  23.150   7.723 -13.334
   66   2HG2  THR   8          HG22      THR   8  22.699   6.026 -13.630
   67   3HG2  THR   8          HG23      THR   8  23.364   7.020 -14.944
   68    H    GLY   9           H        GLY   9  19.614  10.031 -13.582
   69   1HA   GLY   9          HA2       GLY   9  21.113  11.129 -11.260
   70   2HA   GLY   9          HA3       GLY   9  20.655  11.977 -12.747
   71    H    ASN  10           H        ASN  10  18.166   9.949 -11.541
   72    HA   ASN  10           HA       ASN  10  16.108  10.231 -10.807
   73   1HB   ASN  10          HB2       ASN  10  17.120  10.918  -8.674
   74   2HB   ASN  10          HB3       ASN  10  17.156  12.596  -9.210
   75   1HD2  ASN  10          HD22      ASN  10  15.529  13.715  -8.092
   76   2HD2  ASN  10          HD21      ASN  10  13.962  13.019  -7.722
   77    H    THR  11           H        THR  11  17.340  13.566 -11.485
   78    HA   THR  11           HA       THR  11  14.767  14.618 -11.967
   79    HB   THR  11           HB       THR  11  16.103  16.588 -12.784
   80    HG1  THR  11           HG1      THR  11  18.361  16.369 -12.736
   81   1HG2  THR  11          HG21      THR  11  15.720  16.170 -10.331
   82   2HG2  THR  11          HG22      THR  11  17.241  15.244 -10.285
   83   3HG2  THR  11          HG23      THR  11  17.283  16.965 -10.653
   84    H    CYS  12           H        CYS  12  16.706  12.687 -14.057
   85    HA   CYS  12           HA       CYS  12  16.125  13.762 -16.567
   86   1HB   CYS  12          HB2       CYS  12  16.349  10.785 -16.021
   87   2HB   CYS  12          HB3       CYS  12  16.836  11.676 -17.455
   88    HG   CYS  12           HG       CYS  12  18.745  13.066 -16.303
   89    H    ARG  13           H        ARG  13  14.129  11.503 -14.576
   90    HA   ARG  13           HA       ARG  13  11.759  12.428 -15.954
   91   1HB   ARG  13          HB2       ARG  13  12.714  10.724 -17.602
   92   2HB   ARG  13          HB3       ARG  13  12.433   9.477 -16.389
   93   1HG   ARG  13          HG2       ARG  13  10.012   9.890 -16.474
   94   2HG   ARG  13          HG3       ARG  13  10.266  11.342 -17.452
   95   1HD   ARG  13          HD2       ARG  13   9.499   9.642 -18.917
   96   2HD   ARG  13          HD3       ARG  13  11.207   9.899 -19.276
   97    HE   ARG  13           HE       ARG  13   9.911   7.631 -17.877
   98   1HH1  ARG  13          HH11      ARG  13  12.719   8.712 -19.815
   99   2HH1  ARG  13          HH12      ARG  13  13.368   7.085 -19.869
  100   1HH2  ARG  13          HH21      ARG  13  10.971   5.567 -17.939
  101   2HH2  ARG  13          HH22      ARG  13  12.400   5.419 -18.956
  102    H    SER  14           H        SER  14  13.193  10.242 -13.465
  103    HA   SER  14           HA       SER  14  10.870   9.009 -12.734
  104   1HB   SER  14          HB2       SER  14  13.136   9.782 -10.879
  105   2HB   SER  14          HB3       SER  14  11.937   8.503 -10.615
  106    HG   SER  14           HG       SER  14  12.711   7.553 -12.598
  107    HA   PRO  15           HA       PRO  15   9.586  12.469  -9.630
  108   1HB   PRO  15          HB2       PRO  15  10.646  14.846 -11.135
  109   2HB   PRO  15          HB3       PRO  15  10.347  14.625  -9.373
  110   1HG   PRO  15          HG2       PRO  15  12.863  14.446 -10.348
  111   2HG   PRO  15          HG3       PRO  15  12.266  13.259  -9.137
  112   1HD   PRO  15          HD2       PRO  15  12.449  12.920 -12.135
  113   2HD   PRO  15          HD3       PRO  15  12.911  11.800 -10.814
  114    H    MET  16           H        MET  16   9.686  12.897 -13.200
  115    HA   MET  16           HA       MET  16   7.143  14.219 -13.422
  116   1HB   MET  16          HB2       MET  16   8.527  12.434 -15.466
  117   2HB   MET  16          HB3       MET  16   7.173  13.502 -15.760
  118   1HG   MET  16          HG2       MET  16   8.534  15.467 -15.350
  119   2HG   MET  16          HG3       MET  16   9.885  14.475 -14.796
  120   1HE   MET  16          HE1       MET  16   7.642  13.690 -18.124
  121   2HE   MET  16          HE2       MET  16   7.626  15.447 -17.796
  122   3HE   MET  16          HE3       MET  16   8.507  14.818 -19.204
  123    H    ALA  17           H        ALA  17   8.314  10.854 -13.492
  124    HA   ALA  17           HA       ALA  17   5.774   9.705 -14.027
  125   1HB   ALA  17          HB1       ALA  17   6.827   7.559 -13.465
  126   2HB   ALA  17          HB2       ALA  17   7.983   8.531 -14.401
  127   3HB   ALA  17          HB3       ALA  17   8.156   8.380 -12.640
  128    H    GLU  18           H        GLU  18   7.520  10.377 -11.024
  129    HA   GLU  18           HA       GLU  18   5.647   9.286  -9.212
  130   1HB   GLU  18          HB2       GLU  18   7.660   9.806  -8.253
  131   2HB   GLU  18          HB3       GLU  18   7.829  11.339  -9.124
  132   1HG   GLU  18          HG2       GLU  18   6.182  12.405  -7.664
  133   2HG   GLU  18          HG3       GLU  18   5.957  10.897  -6.789
  134    H    ALA  19           H        ALA  19   5.836  12.575 -10.621
  135    HA   ALA  19           HA       ALA  19   3.632  13.508  -9.090
  136   1HB   ALA  19          HB1       ALA  19   4.796  14.535 -11.724
  137   2HB   ALA  19          HB2       ALA  19   3.711  15.450 -10.659
  138   3HB   ALA  19          HB3       ALA  19   5.317  14.994 -10.082
  139    H    LEU  20           H        LEU  20   3.848  12.095 -12.329
  140    HA   LEU  20           HA       LEU  20   1.046  12.431 -12.915
  141   1HB   LEU  20          HB2       LEU  20   3.174  10.569 -14.028
  142   2HB   LEU  20          HB3       LEU  20   1.490  10.471 -14.542
  143    HG   LEU  20           HG       LEU  20   3.408  12.778 -14.997
  144   1HD1  LEU  20          HD11      LEU  20   1.930  10.954 -16.917
  145   2HD1  LEU  20          HD12      LEU  20   3.056  12.247 -17.367
  146   3HD1  LEU  20          HD13      LEU  20   3.646  10.822 -16.489
  147   1HD2  LEU  20          HD21      LEU  20   1.557  13.804 -16.331
  148   2HD2  LEU  20          HD22      LEU  20   0.433  12.596 -15.667
  149   3HD2  LEU  20          HD23      LEU  20   1.217  13.787 -14.602
  150    H    PHE  21           H        PHE  21   2.950   9.761 -11.453
  151    HA   PHE  21           HA       PHE  21   0.611   8.124 -11.367
  152   1HB   PHE  21          HB2       PHE  21   3.022   7.268 -11.343
  153   2HB   PHE  21          HB3       PHE  21   3.010   7.610  -9.607
  154    HD1  PHE  21           HD1      PHE  21   1.223   5.793 -12.359
  155    HD2  PHE  21           HD2      PHE  21   1.805   6.079  -8.096
  156    HE1  PHE  21           HE1      PHE  21  -0.212   3.834 -12.045
  157    HE2  PHE  21           HE2      PHE  21   0.386   4.063  -7.793
  158    HZ   PHE  21           HZ       PHE  21  -0.647   2.953  -9.766
  159    H    LYS  22           H        LYS  22   2.050  10.374  -9.022
  160    HA   LYS  22           HA       LYS  22   0.294   9.738  -6.869
  161   1HB   LYS  22          HB2       LYS  22   1.726  12.298  -7.713
  162   2HB   LYS  22          HB3       LYS  22   0.663  12.265  -6.306
  163   1HG   LYS  22          HG2       LYS  22   2.034  10.677  -5.148
  164   2HG   LYS  22          HG3       LYS  22   3.038  10.384  -6.572
  165   1HD   LYS  22          HD2       LYS  22   3.929  12.653  -6.506
  166   2HD   LYS  22          HD3       LYS  22   2.805  13.106  -5.210
  167   1HE   LYS  22          HE2       LYS  22   3.859  11.524  -3.671
  168   2HE   LYS  22          HE3       LYS  22   4.951  10.953  -4.936
  169   1HZ   LYS  22          HZ1       LYS  22   5.916  12.604  -3.371
  170   2HZ   LYS  22          HZ2       LYS  22   6.084  13.056  -4.921
  171   3HZ   LYS  22          HZ3       LYS  22   4.933  13.755  -3.965
  172    H    SER  23           H        SER  23  -0.043  12.027  -9.604
  173    HA   SER  23           HA       SER  23  -2.642  12.847  -8.823
  174   1HB   SER  23          HB2       SER  23  -1.451  12.781 -11.624
  175   2HB   SER  23          HB3       SER  23  -2.807  13.784 -11.065
  176    HG   SER  23           HG       SER  23  -0.067  13.898 -10.329
  177    H    ILE  24           H        ILE  24  -1.632  10.150 -10.929
  178    HA   ILE  24           HA       ILE  24  -4.323   9.489 -11.665
  179    HB   ILE  24           HB       ILE  24  -1.790   7.835 -11.853
  180   1HG1  ILE  24          HG12      ILE  24  -3.352   9.174 -14.116
  181   2HG1  ILE  24          HG13      ILE  24  -2.100  10.047 -13.264
  182   1HG2  ILE  24          HG21      ILE  24  -3.153   6.450 -13.491
  183   2HG2  ILE  24          HG22      ILE  24  -3.748   6.335 -11.838
  184   3HG2  ILE  24          HG23      ILE  24  -4.592   7.380 -12.997
  185   1HD1  ILE  24          HD11      ILE  24  -1.159   9.107 -15.278
  186   2HD1  ILE  24          HD12      ILE  24  -0.432   8.306 -13.874
  187   3HD1  ILE  24          HD13      ILE  24  -1.677   7.473 -14.835
  188    H    ALA  25           H        ALA  25  -2.167   8.432  -9.031
  189    HA   ALA  25           HA       ALA  25  -3.874   6.378  -8.071
  190   1HB   ALA  25          HB1       ALA  25  -1.519   6.517  -7.379
  191   2HB   ALA  25          HB2       ALA  25  -1.832   8.071  -6.566
  192   3HB   ALA  25          HB3       ALA  25  -2.584   6.581  -5.964
  193    H    GLU  26           H        GLU  26  -3.701   9.882  -7.411
  194    HA   GLU  26           HA       GLU  26  -5.757   9.884  -5.465
  195   1HB   GLU  26          HB2       GLU  26  -4.111  11.753  -5.949
  196   2HB   GLU  26          HB3       GLU  26  -5.030  12.122  -7.406
  197   1HG   GLU  26          HG2       GLU  26  -5.691  13.667  -5.717
  198   2HG   GLU  26          HG3       GLU  26  -7.044  12.582  -5.986
  199    H    ARG  27           H        ARG  27  -5.902  10.165  -9.043
  200    HA   ARG  27           HA       ARG  27  -8.727  10.548  -9.186
  201   1HB   ARG  27          HB2       ARG  27  -7.160   8.912 -11.226
  202   2HB   ARG  27          HB3       ARG  27  -8.696   9.715 -11.441
  203   1HG   ARG  27          HG2       ARG  27  -5.940  10.851 -11.488
  204   2HG   ARG  27          HG3       ARG  27  -7.242  11.057 -12.618
  205   1HD   ARG  27          HD2       ARG  27  -7.008  12.357  -9.875
  206   2HD   ARG  27          HD3       ARG  27  -6.779  13.149 -11.435
  207    HE   ARG  27           HE       ARG  27  -9.297  12.216 -11.713
  208   1HH1  ARG  27          HH11      ARG  27  -7.785  14.128  -9.134
  209   2HH1  ARG  27          HH12      ARG  27  -9.252  14.885  -8.635
  210   1HH2  ARG  27          HH21      ARG  27 -11.257  13.220 -11.051
  211   2HH2  ARG  27          HH22      ARG  27 -11.267  14.365  -9.765
  212    H    GLU  28           H        GLU  28  -6.787   7.591  -9.089
  213    HA   GLU  28           HA       GLU  28  -9.070   5.838  -9.389
  214   1HB   GLU  28          HB2       GLU  28  -6.094   5.479  -8.867
  215   2HB   GLU  28          HB3       GLU  28  -7.170   4.097  -8.922
  216   1HG   GLU  28          HG2       GLU  28  -6.799   6.098 -11.193
  217   2HG   GLU  28          HG3       GLU  28  -6.005   4.532 -11.069
  218    H    GLY  29           H        GLY  29  -7.525   7.253  -6.602
  219   1HA   GLY  29          HA2       GLY  29  -7.898   6.977  -4.350
  220   2HA   GLY  29          HA3       GLY  29  -9.204   5.818  -4.686
  221    H    LEU  30           H        LEU  30  -5.864   5.675  -5.945
  222    HA   LEU  30           HA       LEU  30  -5.729   2.839  -5.193
  223   1HB   LEU  30          HB2       LEU  30  -4.742   4.403  -7.331
  224   2HB   LEU  30          HB3       LEU  30  -3.298   3.962  -6.435
  225    HG   LEU  30           HG       LEU  30  -5.433   1.979  -7.322
  226   1HD1  LEU  30          HD11      LEU  30  -4.424   3.067  -9.288
  227   2HD1  LEU  30          HD12      LEU  30  -2.801   2.648  -8.699
  228   3HD1  LEU  30          HD13      LEU  30  -3.948   1.370  -9.178
  229   1HD2  LEU  30          HD21      LEU  30  -4.009   1.149  -5.464
  230   2HD2  LEU  30          HD22      LEU  30  -3.701   0.268  -6.961
  231   3HD2  LEU  30          HD23      LEU  30  -2.556   1.512  -6.418
  232    H    ASN  31           H        ASN  31  -4.854   2.189  -3.295
  233    HA   ASN  31           HA       ASN  31  -3.515   4.061  -1.522
  234   1HB   ASN  31          HB2       ASN  31  -4.981   2.350  -0.585
  235   2HB   ASN  31          HB3       ASN  31  -4.017   1.068  -1.331
  236   1HD2  ASN  31          HD22      ASN  31  -3.466   0.074   0.702
  237   2HD2  ASN  31          HD21      ASN  31  -2.382   0.842   1.831
  238    H    VAL  32           H        VAL  32  -1.517   4.724  -2.244
  239    HA   VAL  32           HA       VAL  32   0.627   2.714  -2.242
  240    HB   VAL  32           HB       VAL  32   1.730   3.793  -4.189
  241   1HG1  VAL  32          HG11      VAL  32   0.443   1.689  -4.487
  242   2HG1  VAL  32          HG12      VAL  32  -0.943   2.661  -5.038
  243   3HG1  VAL  32          HG13      VAL  32   0.593   2.693  -5.936
  244   1HG2  VAL  32          HG21      VAL  32   0.519   5.974  -4.205
  245   2HG2  VAL  32          HG22      VAL  32   0.528   5.177  -5.776
  246   3HG2  VAL  32          HG23      VAL  32  -0.939   5.135  -4.779
  247    H    ASN  33           H        ASN  33   2.746   3.811  -2.107
  248    HA   ASN  33           HA       ASN  33   2.747   6.702  -1.637
  249   1HB   ASN  33          HB2       ASN  33   3.275   5.455   0.567
  250   2HB   ASN  33          HB3       ASN  33   4.674   4.764  -0.264
  251   1HD2  ASN  33          HD22      ASN  33   6.477   6.112  -0.702
  252   2HD2  ASN  33          HD21      ASN  33   6.581   7.777  -0.133
  253    H    VAL  34           H        VAL  34   4.705   7.574  -2.664
  254    HA   VAL  34           HA       VAL  34   6.313   5.679  -4.114
  255    HB   VAL  34           HB       VAL  34   6.131   6.601  -6.297
  256   1HG1  VAL  34          HG11      VAL  34   3.878   6.107  -7.022
  257   2HG1  VAL  34          HG12      VAL  34   4.286   4.966  -5.749
  258   3HG1  VAL  34          HG13      VAL  34   3.225   6.337  -5.394
  259   1HG2  VAL  34          HG21      VAL  34   4.154   8.643  -5.218
  260   2HG2  VAL  34          HG22      VAL  34   5.812   8.958  -5.792
  261   3HG2  VAL  34          HG23      VAL  34   4.576   8.404  -6.930
  262    H    ARG  35           H        ARG  35   8.300   6.573  -4.856
  263    HA   ARG  35           HA       ARG  35   9.094   9.276  -3.994
  264   1HB   ARG  35          HB2       ARG  35  10.496   6.650  -3.231
  265   2HB   ARG  35          HB3       ARG  35  11.369   8.158  -3.379
  266   1HG   ARG  35          HG2       ARG  35  11.022   8.372  -1.212
  267   2HG   ARG  35          HG3       ARG  35   9.470   9.045  -1.703
  268   1HD   ARG  35          HD2       ARG  35   8.442   6.785  -1.359
  269   2HD   ARG  35          HD3       ARG  35  10.021   6.163  -0.853
  270    HE   ARG  35           HE       ARG  35   9.163   8.540   0.599
  271   1HH1  ARG  35          HH21      ARG  35   8.986   4.957   0.641
  272   2HH1  ARG  35          HH22      ARG  35   8.840   4.893   2.362
  273   1HH2  ARG  35          HH11      ARG  35   8.878   8.399   2.854
  274   2HH2  ARG  35          HH12      ARG  35   8.735   6.871   3.630
  275    H    SER  36           H        SER  36  11.248   9.751  -5.063
  276    HA   SER  36           HA       SER  36  11.759   8.107  -7.430
  277   1HB   SER  36          HB2       SER  36  11.859  11.136  -7.533
  278   2HB   SER  36          HB3       SER  36  12.119   9.992  -8.853
  279    HG   SER  36           HG       SER  36   9.713  10.497  -7.440
  280    H    ALA  37           H        ALA  37  13.970   8.003  -8.002
  281    HA   ALA  37           HA       ALA  37  15.967   9.466  -6.427
  282   1HB   ALA  37          HB1       ALA  37  15.688   6.439  -6.151
  283   2HB   ALA  37          HB2       ALA  37  16.965   7.460  -5.441
  284   3HB   ALA  37          HB3       ALA  37  15.302   7.623  -4.886
  285    H    GLY  38           H        GLY  38  18.195   8.280  -6.989
  286   1HA   GLY  38          HA2       GLY  38  18.271   6.980  -9.600
  287   2HA   GLY  38          HA3       GLY  38  19.049   8.565  -9.566
  288    H    VAL  39           H        VAL  39  20.329   5.916  -9.976
  289    HA   VAL  39           HA       VAL  39  21.704   5.143  -7.579
  290    HB   VAL  39           HB       VAL  39  23.405   4.169  -9.278
  291   1HG1  VAL  39          HG11      VAL  39  21.726   2.355  -9.915
  292   2HG1  VAL  39          HG12      VAL  39  21.905   2.718  -8.187
  293   3HG1  VAL  39          HG13      VAL  39  20.506   3.332  -9.069
  294   1HG2  VAL  39          HG21      VAL  39  22.748   3.891 -11.560
  295   2HG2  VAL  39          HG22      VAL  39  21.190   4.634 -11.300
  296   3HG2  VAL  39          HG23      VAL  39  22.641   5.635 -11.227
  297    H    PHE  40           H        PHE  40  22.232   7.832  -9.781
  298    HA   PHE  40           HA       PHE  40  24.583   8.646  -8.158
  299   1HB   PHE  40          HB2       PHE  40  24.334   8.657 -11.191
  300   2HB   PHE  40          HB3       PHE  40  25.601   9.485 -10.297
  301    HD1  PHE  40           HD1      PHE  40  24.653   6.307 -11.759
  302    HD2  PHE  40           HD2      PHE  40  27.110   8.130  -8.714
  303    HE1  PHE  40           HE1      PHE  40  26.044   4.266 -11.658
  304    HE2  PHE  40           HE2      PHE  40  28.501   6.079  -8.620
  305    HZ   PHE  40           HZ       PHE  40  27.969   4.140 -10.087
  306    H    ALA  41           H        ALA  41  21.712   9.330  -8.000
  307    HA   ALA  41           HA       ALA  41  21.509  12.161  -8.777
  308   1HB   ALA  41          HB1       ALA  41  19.834  10.420  -6.908
  309   2HB   ALA  41          HB2       ALA  41  19.419  12.049  -7.478
  310   3HB   ALA  41          HB3       ALA  41  19.501  10.707  -8.629
  311    H    SER  42           H        SER  42  20.976  13.659  -6.809
  312    HA   SER  42           HA       SER  42  22.803  13.170  -4.543
  313   1HB   SER  42          HB2       SER  42  22.742  15.715  -6.207
  314   2HB   SER  42          HB3       SER  42  23.762  15.408  -4.790
  315    HG   SER  42           HG       SER  42  24.871  15.073  -6.775
  316    HA   PRO  43           HA       PRO  43  19.376  14.589  -2.184
  317   1HB   PRO  43          HB2       PRO  43  21.398  15.992  -0.441
  318   2HB   PRO  43          HB3       PRO  43  19.996  14.975   0.041
  319   1HG   PRO  43          HG2       PRO  43  22.413  13.831  -0.006
  320   2HG   PRO  43          HG3       PRO  43  21.050  12.999  -0.852
  321   1HD   PRO  43          HD2       PRO  43  23.153  14.824  -2.080
  322   2HD   PRO  43          HD3       PRO  43  22.693  13.161  -2.543
  323    H    ASN  44           H        ASN  44  21.060  16.976  -3.903
  324    HA   ASN  44           HA       ASN  44  18.881  18.893  -3.403
  325   1HB   ASN  44          HB2       ASN  44  20.780  19.553  -1.910
  326   2HB   ASN  44          HB3       ASN  44  21.796  19.741  -3.346
  327   1HD2  ASN  44          HD22      ASN  44  22.088  22.008  -3.370
  328   2HD2  ASN  44          HD21      ASN  44  20.774  23.152  -3.411
  329    H    GLY  45           H        GLY  45  19.556  16.983  -5.532
  330   1HA   GLY  45          HA2       GLY  45  19.773  18.776  -7.899
  331   2HA   GLY  45          HA3       GLY  45  19.427  17.034  -7.905
  332    H    LYS  46           H        LYS  46  17.639  18.922  -9.213
  333    HA   LYS  46           HA       LYS  46  15.208  18.259  -7.765
  334   1HB   LYS  46          HB2       LYS  46  14.345  20.569  -7.667
  335   2HB   LYS  46          HB3       LYS  46  15.720  20.329  -6.607
  336   1HG   LYS  46          HG2       LYS  46  17.203  21.519  -8.105
  337   2HG   LYS  46          HG3       LYS  46  16.013  21.544  -9.404
  338   1HD   LYS  46          HD2       LYS  46  15.691  22.967  -6.734
  339   2HD   LYS  46          HD3       LYS  46  16.292  23.730  -8.200
  340   1HE   LYS  46          HE2       LYS  46  13.510  22.505  -7.868
  341   2HE   LYS  46          HE3       LYS  46  13.900  24.217  -7.743
  342   1HZ   LYS  46          HZ1       LYS  46  13.076  23.782  -9.911
  343   2HZ   LYS  46          HZ2       LYS  46  14.656  24.129 -10.075
  344   3HZ   LYS  46          HZ3       LYS  46  14.127  22.575 -10.213
  345    H    ALA  47           H        ALA  47  13.287  18.879  -8.956
  346    HA   ALA  47           HA       ALA  47  13.207  18.018 -11.586
  347   1HB   ALA  47          HB1       ALA  47  11.011  19.112 -11.728
  348   2HB   ALA  47          HB2       ALA  47  11.242  18.338 -10.142
  349   3HB   ALA  47          HB3       ALA  47  11.388  20.111 -10.310
  350    H    THR  48           H        THR  48  13.512  18.907 -13.628
  351    HA   THR  48           HA       THR  48  15.255  21.175 -13.691
  352    HB   THR  48           HB       THR  48  15.521  20.645 -16.025
  353    HG1  THR  48           HG1      THR  48  14.165  19.174 -17.051
  354   1HG2  THR  48          HG21      THR  48  16.205  18.361 -15.950
  355   2HG2  THR  48          HG22      THR  48  16.415  18.983 -14.301
  356   3HG2  THR  48          HG23      THR  48  15.009  17.960 -14.697
  357    HA   PRO  49           HA       PRO  49  12.496  24.504 -14.868
  358   1HB   PRO  49          HB2       PRO  49  14.222  24.793 -17.333
  359   2HB   PRO  49          HB3       PRO  49  13.614  26.068 -16.229
  360   1HG   PRO  49          HG2       PRO  49  16.167  25.199 -16.013
  361   2HG   PRO  49          HG3       PRO  49  15.182  25.443 -14.532
  362   1HD   PRO  49          HD2       PRO  49  15.782  22.863 -15.989
  363   2HD   PRO  49          HD3       PRO  49  15.808  23.204 -14.230
  364    H    HIS  50           H        HIS  50  12.888  21.709 -16.944
  365    HA   HIS  50           HA       HIS  50  10.536  22.562 -18.530
  366   1HB   HIS  50          HB2       HIS  50  12.842  20.779 -19.311
  367   2HB   HIS  50          HB3       HIS  50  11.363  20.977 -20.258
  368    HD1  HIS  50           HD1      HIS  50  14.230  21.754 -21.476
  369    HD2  HIS  50           HD2      HIS  50  11.403  24.344 -19.711
  370    HE1  HIS  50           HE1      HIS  50  14.725  24.076 -22.361
  371    H    ALA  51           H        ALA  51  11.922  19.821 -16.676
  372    HA   ALA  51           HA       ALA  51   9.673  18.119 -17.087
  373   1HB   ALA  51          HB1       ALA  51  11.530  18.403 -14.673
  374   2HB   ALA  51          HB2       ALA  51  10.398  17.063 -14.942
  375   3HB   ALA  51          HB3       ALA  51  11.762  17.305 -16.045
  376    H    VAL  52           H        VAL  52  10.421  20.585 -14.626
  377    HA   VAL  52           HA       VAL  52   8.004  20.223 -13.206
  378    HB   VAL  52           HB       VAL  52  10.325  21.322 -12.640
  379   1HG1  VAL  52          HG11      VAL  52  10.442  23.674 -12.487
  380   2HG1  VAL  52          HG12      VAL  52  10.175  23.238 -14.176
  381   3HG1  VAL  52          HG13      VAL  52   8.819  23.872 -13.193
  382   1HG2  VAL  52          HG21      VAL  52   8.766  20.857 -10.955
  383   2HG2  VAL  52          HG22      VAL  52   9.296  22.520 -10.705
  384   3HG2  VAL  52          HG23      VAL  52   7.702  22.213 -11.444
  385    H    GLU  53           H        GLU  53   8.917  22.316 -15.896
  386    HA   GLU  53           HA       GLU  53   6.484  23.785 -15.855
  387   1HB   GLU  53          HB2       GLU  53   8.536  24.677 -16.801
  388   2HB   GLU  53          HB3       GLU  53   8.531  23.447 -18.077
  389   1HG   GLU  53          HG2       GLU  53   6.527  24.397 -19.066
  390   2HG   GLU  53          HG3       GLU  53   6.283  25.461 -17.675
  391    H    ALA  54           H        ALA  54   7.516  20.827 -17.557
  392    HA   ALA  54           HA       ALA  54   5.236  20.573 -19.220
  393   1HB   ALA  54          HB1       ALA  54   7.047  18.417 -18.037
  394   2HB   ALA  54          HB2       ALA  54   5.898  18.173 -19.361
  395   3HB   ALA  54          HB3       ALA  54   7.281  19.254 -19.588
  396    H    LEU  55           H        LEU  55   5.891  19.438 -15.903
  397    HA   LEU  55           HA       LEU  55   3.168  18.364 -15.686
  398   1HB   LEU  55          HB2       LEU  55   5.505  18.692 -13.861
  399   2HB   LEU  55          HB3       LEU  55   3.918  18.330 -13.162
  400    HG   LEU  55           HG       LEU  55   5.375  16.340 -13.466
  401   1HD1  LEU  55          HD11      LEU  55   2.936  16.096 -13.325
  402   2HD1  LEU  55          HD12      LEU  55   2.831  16.160 -15.112
  403   3HD1  LEU  55          HD13      LEU  55   3.703  14.848 -14.298
  404   1HD2  LEU  55          HD21      LEU  55   4.918  16.653 -16.459
  405   2HD2  LEU  55          HD22      LEU  55   6.465  16.887 -15.617
  406   3HD2  LEU  55          HD23      LEU  55   5.693  15.295 -15.635
  407    H    PHE  56           H        PHE  56   4.584  21.551 -15.167
  408    HA   PHE  56           HA       PHE  56   2.308  22.505 -13.653
  409   1HB   PHE  56          HB2       PHE  56   4.492  23.697 -13.707
  410   2HB   PHE  56          HB3       PHE  56   4.226  24.079 -15.410
  411    HD1  PHE  56           HD1      PHE  56   3.117  26.114 -15.964
  412    HD2  PHE  56           HD2      PHE  56   2.563  24.383 -12.050
  413    HE1  PHE  56           HE1      PHE  56   1.733  28.061 -15.289
  414    HE2  PHE  56           HE2      PHE  56   1.150  26.303 -11.394
  415    HZ   PHE  56           HZ       PHE  56   0.741  28.161 -13.009
  416    H    GLU  57           H        GLU  57   3.098  22.290 -17.164
  417    HA   GLU  57           HA       GLU  57   0.631  23.391 -18.087
  418   1HB   GLU  57          HB2       GLU  57   2.588  23.130 -19.483
  419   2HB   GLU  57          HB3       GLU  57   2.552  21.384 -19.351
  420   1HG   GLU  57          HG2       GLU  57   0.281  23.031 -20.545
  421   2HG   GLU  57          HG3       GLU  57   1.647  22.448 -21.492
  422    H    LYS  58           H        LYS  58   1.571  20.013 -17.206
  423    HA   LYS  58           HA       LYS  58  -1.034  18.925 -17.551
  424   1HB   LYS  58          HB2       LYS  58   1.260  17.747 -17.181
  425   2HB   LYS  58          HB3       LYS  58   0.965  18.006 -15.464
  426   1HG   LYS  58          HG2       LYS  58   0.336  15.774 -16.036
  427   2HG   LYS  58          HG3       LYS  58  -1.111  16.660 -15.605
  428   1HD   LYS  58          HD2       LYS  58  -1.560  15.196 -17.446
  429   2HD   LYS  58          HD3       LYS  58  -1.689  16.860 -18.027
  430   1HE   LYS  58          HE2       LYS  58   0.554  16.705 -19.042
  431   2HE   LYS  58          HE3       LYS  58   0.798  15.107 -18.320
  432   1HZ   LYS  58          HZ1       LYS  58   0.077  14.923 -20.647
  433   2HZ   LYS  58          HZ2       LYS  58  -1.037  14.267 -19.646
  434   3HZ   LYS  58          HZ3       LYS  58  -1.305  15.738 -20.325
  435    H    HIS  59           H        HIS  59   0.008  21.201 -15.266
  436    HA   HIS  59           HA       HIS  59  -0.863  22.233 -13.536
  437   1HB   HIS  59          HB2       HIS  59  -2.885  22.292 -15.022
  438   2HB   HIS  59          HB3       HIS  59  -3.549  20.955 -14.082
  439    HD1  HIS  59           HD1      HIS  59  -5.034  21.816 -12.091
  440    HD2  HIS  59           HD2      HIS  59  -2.028  24.500 -13.314
  441    HE1  HIS  59           HE1      HIS  59  -5.330  23.911 -10.676
  442    H    ILE  60           H        ILE  60   0.686  20.294 -12.923
  443    HA   ILE  60           HA       ILE  60  -0.441  19.092 -10.434
  444    HB   ILE  60           HB       ILE  60   1.576  17.914 -12.368
  445   1HG1  ILE  60          HG12      ILE  60  -1.168  16.859 -11.525
  446   2HG1  ILE  60          HG13      ILE  60  -0.884  17.752 -13.012
  447   1HG2  ILE  60          HG21      ILE  60   1.528  15.910 -10.823
  448   2HG2  ILE  60          HG22      ILE  60   2.248  17.325 -10.077
  449   3HG2  ILE  60          HG23      ILE  60   0.580  16.858  -9.677
  450   1HD1  ILE  60          HD11      ILE  60  -0.960  15.407 -13.518
  451   2HD1  ILE  60          HD12      ILE  60   0.670  16.044 -13.810
  452   3HD1  ILE  60          HD13      ILE  60   0.348  15.045 -12.392
  453    H    ALA  61           H        ALA  61   2.100  21.006 -11.931
  454    HA   ALA  61           HA       ALA  61   3.852  22.166 -11.114
  455   1HB   ALA  61          HB1       ALA  61   1.946  23.339 -10.037
  456   2HB   ALA  61          HB2       ALA  61   2.172  22.344  -8.586
  457   3HB   ALA  61          HB3       ALA  61   3.450  23.460  -9.103
  458    H    LEU  62           H        LEU  62   4.670  19.842 -11.270
  459    HA   LEU  62           HA       LEU  62   5.151  17.872  -9.696
  460   1HB   LEU  62          HB2       LEU  62   6.029  18.246 -11.910
  461   2HB   LEU  62          HB3       LEU  62   7.287  19.289 -11.326
  462    HG   LEU  62           HG       LEU  62   7.024  16.275 -10.938
  463   1HD1  LEU  62          HD11      LEU  62   8.978  16.187 -12.417
  464   2HD1  LEU  62          HD12      LEU  62   7.668  17.060 -13.215
  465   3HD1  LEU  62          HD13      LEU  62   9.024  17.959 -12.512
  466   1HD2  LEU  62          HD21      LEU  62   9.034  18.238  -9.809
  467   2HD2  LEU  62          HD22      LEU  62   8.156  16.916  -8.989
  468   3HD2  LEU  62          HD23      LEU  62   9.456  16.553 -10.113
  469    H    ASN  63           H        ASN  63   7.480  20.582  -9.373
  470    HA   ASN  63           HA       ASN  63   9.179  20.931  -7.895
  471   1HB   ASN  63          HB2       ASN  63   6.644  21.187  -6.266
  472   2HB   ASN  63          HB3       ASN  63   8.225  21.665  -5.655
  473   1HD2  ASN  63          HD22      ASN  63   5.727  22.429  -8.032
  474   2HD2  ASN  63          HD21      ASN  63   6.418  23.966  -8.543
  475    H    HIS  64           H        HIS  64  10.557  19.199  -7.713
  476    HA   HIS  64           HA       HIS  64  10.278  17.455  -5.319
  477   1HB   HIS  64          HB2       HIS  64   9.487  16.227  -7.335
  478   2HB   HIS  64          HB3       HIS  64  11.016  16.601  -8.154
  479    HD1  HIS  64           HD1      HIS  64   9.461  13.946  -5.962
  480    HD2  HIS  64           HD2      HIS  64  13.256  15.349  -7.184
  481    HE1  HIS  64           HE1      HIS  64  11.112  12.120  -5.431
  482    H    VAL  65           H        VAL  65  12.291  16.889  -4.423
  483    HA   VAL  65           HA       VAL  65  14.786  18.022  -5.600
  484    HB   VAL  65           HB       VAL  65  13.954  18.032  -2.669
  485   1HG1  VAL  65          HG11      VAL  65  16.077  19.182  -2.247
  486   2HG1  VAL  65          HG12      VAL  65  16.392  17.604  -2.974
  487   3HG1  VAL  65          HG13      VAL  65  16.511  19.075  -3.964
  488   1HG2  VAL  65          HG21      VAL  65  14.415  20.343  -4.609
  489   2HG2  VAL  65          HG22      VAL  65  12.860  19.871  -3.885
  490   3HG2  VAL  65          HG23      VAL  65  14.153  20.505  -2.862
  491    H    SER  66           H        SER  66  16.186  16.458  -5.910
  492    HA   SER  66           HA       SER  66  15.565  13.721  -5.692
  493   1HB   SER  66          HB2       SER  66  18.186  15.163  -6.254
  494   2HB   SER  66          HB3       SER  66  17.786  13.509  -6.755
  495    HG   SER  66           HG       SER  66  17.492  15.304  -8.322
  496    H    SER  67           H        SER  67  17.195  12.070  -4.987
  497    HA   SER  67           HA       SER  67  19.130  12.561  -2.939
  498   1HB   SER  67          HB2       SER  67  16.551  11.056  -2.270
  499   2HB   SER  67          HB3       SER  67  18.051  10.881  -1.342
  500    HG   SER  67           HG       SER  67  17.063  13.456  -1.857
  501    HA   PRO  68           HA       PRO  68  20.458   8.959  -5.237
  502   1HB   PRO  68          HB2       PRO  68  22.283   7.765  -3.588
  503   2HB   PRO  68          HB3       PRO  68  22.583   9.334  -4.385
  504   1HG   PRO  68          HG2       PRO  68  21.612   8.844  -1.554
  505   2HG   PRO  68          HG3       PRO  68  22.910   9.951  -2.105
  506   1HD   PRO  68          HD2       PRO  68  20.367  10.815  -1.601
  507   2HD   PRO  68          HD3       PRO  68  21.352  11.515  -2.923
  508    H    LEU  69           H        LEU  69  19.835   6.817  -5.518
  509    HA   LEU  69           HA       LEU  69  17.995   5.603  -3.593
  510   1HB   LEU  69          HB2       LEU  69  17.678   5.159  -5.977
  511   2HB   LEU  69          HB3       LEU  69  19.312   4.516  -6.123
  512    HG   LEU  69           HG       LEU  69  18.782   2.580  -4.828
  513   1HD1  LEU  69          HD11      LEU  69  16.424   2.181  -3.942
  514   2HD1  LEU  69          HD12      LEU  69  17.344   3.365  -3.029
  515   3HD1  LEU  69          HD13      LEU  69  16.119   3.912  -4.193
  516   1HD2  LEU  69          HD21      LEU  69  17.106   1.510  -6.186
  517   2HD2  LEU  69          HD22      LEU  69  16.372   3.069  -6.609
  518   3HD2  LEU  69          HD23      LEU  69  17.999   2.657  -7.200
  519    H    THR  70           H        THR  70  18.720   4.851  -1.738
  520    HA   THR  70           HA       THR  70  21.317   3.477  -1.569
  521    HB   THR  70           HB       THR  70  21.377   4.767   0.749
  522    HG1  THR  70           HG1      THR  70  19.995   6.605  -0.939
  523   1HG2  THR  70          HG21      THR  70  22.195   6.027  -1.900
  524   2HG2  THR  70          HG22      THR  70  22.848   6.445  -0.296
  525   3HG2  THR  70          HG23      THR  70  23.113   4.826  -0.972
  526    H    GLU  71           H        GLU  71  21.454   2.314   0.623
  527    HA   GLU  71           HA       GLU  71  19.597   0.361  -0.050
  528   1HB   GLU  71          HB2       GLU  71  21.976   0.078   0.755
  529   2HB   GLU  71          HB3       GLU  71  21.405   0.359   2.405
  530   1HG   GLU  71          HG2       GLU  71  19.927  -1.636   2.217
  531   2HG   GLU  71          HG3       GLU  71  20.450  -1.873   0.548
  532    H    GLU  72           H        GLU  72  19.587   2.577   2.708
  533    HA   GLU  72           HA       GLU  72  17.557   1.213   4.160
  534   1HB   GLU  72          HB2       GLU  72  17.314   3.335   5.408
  535   2HB   GLU  72          HB3       GLU  72  18.994   2.813   5.259
  536   1HG   GLU  72          HG2       GLU  72  19.322   4.468   3.403
  537   2HG   GLU  72          HG3       GLU  72  17.661   5.019   3.627
  538    H    LEU  73           H        LEU  73  17.394   3.604   1.545
  539    HA   LEU  73           HA       LEU  73  14.550   3.983   1.767
  540   1HB   LEU  73          HB2       LEU  73  16.016   5.648   0.659
  541   2HB   LEU  73          HB3       LEU  73  16.447   4.441  -0.564
  542    HG   LEU  73           HG       LEU  73  14.136   4.360  -1.342
  543   1HD1  LEU  73          HD11      LEU  73  13.536   6.574   0.641
  544   2HD1  LEU  73          HD12      LEU  73  12.477   6.054  -0.695
  545   3HD1  LEU  73          HD13      LEU  73  12.836   4.933   0.614
  546   1HD2  LEU  73          HD21      LEU  73  15.248   7.185  -1.263
  547   2HD2  LEU  73          HD22      LEU  73  15.737   5.903  -2.390
  548   3HD2  LEU  73          HD23      LEU  73  14.091   6.544  -2.453
  549    H    MET  74           H        MET  74  16.724   1.905  -0.115
  550    HA   MET  74           HA       MET  74  14.795   0.548  -1.657
  551   1HB   MET  74          HB2       MET  74  16.920   0.196  -2.393
  552   2HB   MET  74          HB3       MET  74  17.600   0.050  -0.787
  553   1HG   MET  74          HG2       MET  74  17.796  -2.054  -1.916
  554   2HG   MET  74          HG3       MET  74  16.737  -2.192  -0.527
  555   1HE   MET  74          HE1       MET  74  15.509  -2.570  -4.986
  556   2HE   MET  74          HE2       MET  74  16.300  -1.102  -4.366
  557   3HE   MET  74          HE3       MET  74  17.161  -2.659  -4.352
  558    H    GLU  75           H        GLU  75  16.042  -0.181   1.615
  559    HA   GLU  75           HA       GLU  75  14.436  -2.542   1.973
  560   1HB   GLU  75          HB2       GLU  75  15.906  -0.709   3.902
  561   2HB   GLU  75          HB3       GLU  75  14.956  -2.097   4.445
  562   1HG   GLU  75          HG2       GLU  75  16.296  -3.598   2.984
  563   2HG   GLU  75          HG3       GLU  75  17.332  -2.250   2.540
  564    H    SER  76           H        SER  76  13.861   0.923   2.640
  565    HA   SER  76           HA       SER  76  11.460   0.540   4.157
  566   1HB   SER  76          HB2       SER  76  12.340   2.921   2.468
  567   2HB   SER  76          HB3       SER  76  11.067   2.919   3.697
  568    HG   SER  76           HG       SER  76  13.854   2.459   4.059
  569    H    ALA  77           H        ALA  77  12.068   0.868   0.619
  570    HA   ALA  77           HA       ALA  77   9.224   1.060   0.070
  571   1HB   ALA  77          HB1       ALA  77   9.857   1.253  -2.238
  572   2HB   ALA  77          HB2       ALA  77  10.920   2.254  -1.255
  573   3HB   ALA  77          HB3       ALA  77  11.511   0.685  -1.885
  574    H    ASP  78           H        ASP  78   8.379  -0.347  -1.843
  575    HA   ASP  78           HA       ASP  78   8.843  -3.216  -1.222
  576   1HB   ASP  78          HB2       ASP  78   6.855  -2.230  -0.056
  577   2HB   ASP  78          HB3       ASP  78   6.171  -1.852  -1.640
  578    H    LEU  79           H        LEU  79   8.511  -0.786  -3.676
  579    HA   LEU  79           HA       LEU  79   9.020  -2.847  -5.713
  580   1HB   LEU  79          HB2       LEU  79   6.542  -2.180  -5.793
  581   2HB   LEU  79          HB3       LEU  79   7.065  -0.524  -6.033
  582    HG   LEU  79           HG       LEU  79   8.178  -1.191  -8.179
  583   1HD1  LEU  79          HD11      LEU  79   7.569  -3.403  -9.161
  584   2HD1  LEU  79          HD12      LEU  79   8.607  -3.580  -7.744
  585   3HD1  LEU  79          HD13      LEU  79   6.860  -3.884  -7.605
  586   1HD2  LEU  79          HD21      LEU  79   6.161  -1.454  -9.490
  587   2HD2  LEU  79          HD22      LEU  79   5.258  -2.027  -8.083
  588   3HD2  LEU  79          HD23      LEU  79   5.813  -0.350  -8.153
  589    H    VAL  80           H        VAL  80  10.500  -2.077  -7.268
  590    HA   VAL  80           HA       VAL  80  11.221   0.793  -7.177
  591    HB   VAL  80           HB       VAL  80  13.178  -1.535  -7.350
  592   1HG1  VAL  80          HG11      VAL  80  13.924   0.421  -8.667
  593   2HG1  VAL  80          HG12      VAL  80  13.687   1.473  -7.260
  594   3HG1  VAL  80          HG13      VAL  80  14.926   0.204  -7.228
  595   1HG2  VAL  80          HG21      VAL  80  12.499  -1.386  -5.061
  596   2HG2  VAL  80          HG22      VAL  80  14.053  -0.559  -5.163
  597   3HG2  VAL  80          HG23      VAL  80  12.550   0.383  -5.084
  598    H    LEU  81           H        LEU  81  11.439   1.656  -9.234
  599    HA   LEU  81           HA       LEU  81  10.760  -0.151 -11.466
  600   1HB   LEU  81          HB2       LEU  81   8.975   1.499 -10.042
  601   2HB   LEU  81          HB3       LEU  81   9.264   2.350 -11.546
  602    HG   LEU  81           HG       LEU  81   8.546  -0.649 -11.485
  603   1HD1  LEU  81          HD11      LEU  81   6.793   0.766 -10.356
  604   2HD1  LEU  81          HD12      LEU  81   6.656   1.706 -11.855
  605   3HD1  LEU  81          HD13      LEU  81   6.264  -0.040 -11.826
  606   1HD2  LEU  81          HD21      LEU  81   9.573   0.030 -13.524
  607   2HD2  LEU  81          HD22      LEU  81   7.831  -0.144 -13.798
  608   3HD2  LEU  81          HD23      LEU  81   8.543   1.475 -13.606
  609    H    ALA  82           H        ALA  82  12.601  -0.037 -12.516
  610    HA   ALA  82           HA       ALA  82  14.226   2.396 -12.509
  611   1HB   ALA  82          HB1       ALA  82  14.846  -0.469 -13.363
  612   2HB   ALA  82          HB2       ALA  82  16.015   0.865 -13.295
  613   3HB   ALA  82          HB3       ALA  82  15.275   0.267 -11.798
  614    H    MET  83           H        MET  83  14.827   3.420 -14.337
  615    HA   MET  83           HA       MET  83  13.035   3.021 -16.589
  616   1HB   MET  83          HB2       MET  83  14.825   5.298 -15.739
  617   2HB   MET  83          HB3       MET  83  13.789   5.331 -17.177
  618   1HG   MET  83          HG2       MET  83  11.863   4.564 -15.687
  619   2HG   MET  83          HG3       MET  83  12.893   4.814 -14.299
  620   1HE   MET  83          HE1       MET  83   9.987   5.730 -14.591
  621   2HE   MET  83          HE2       MET  83  11.029   5.910 -13.176
  622   3HE   MET  83          HE3       MET  83  10.106   7.308 -13.796
  623    H    THR  84           H        THR  84  16.182   1.874 -16.102
  624    HA   THR  84           HA       THR  84  16.094   1.040 -18.886
  625    HB   THR  84           HB       THR  84  18.448   1.383 -19.331
  626    HG1  THR  84           HG1      THR  84  19.667   2.739 -17.911
  627   1HG2  THR  84          HG21      THR  84  16.933   3.240 -20.002
  628   2HG2  THR  84          HG22      THR  84  17.309   4.072 -18.473
  629   3HG2  THR  84          HG23      THR  84  18.586   3.773 -19.669
  630    H    HIS  85           H        HIS  85  17.171  -1.049 -19.135
  631    HA   HIS  85           HA       HIS  85  17.094  -2.575 -16.714
  632   1HB   HIS  85          HB2       HIS  85  16.622  -3.329 -19.174
  633   2HB   HIS  85          HB3       HIS  85  18.367  -3.608 -19.250
  634    HD1  HIS  85           HD1      HIS  85  15.333  -4.594 -17.030
  635    HD2  HIS  85           HD2      HIS  85  19.161  -5.914 -18.180
  636    HE1  HIS  85           HE1      HIS  85  15.620  -6.927 -16.042
  637    H    GLN  86           H        GLN  86  19.631  -0.861 -18.449
  638    HA   GLN  86           HA       GLN  86  21.869  -1.997 -17.111
  639   1HB   GLN  86          HB2       GLN  86  22.021  -0.508 -19.106
  640   2HB   GLN  86          HB3       GLN  86  21.460   0.853 -18.121
  641   1HG   GLN  86          HG2       GLN  86  23.479   0.637 -16.680
  642   2HG   GLN  86          HG3       GLN  86  23.992  -0.772 -17.608
  643   1HE2  GLN  86          HE22      GLN  86  25.678  -0.228 -18.977
  644   2HE2  GLN  86          HE21      GLN  86  25.814   1.277 -19.848
  645    H    HIS  87           H        HIS  87  19.724   0.770 -16.282
  646    HA   HIS  87           HA       HIS  87  20.935   1.327 -13.805
  647   1HB   HIS  87          HB2       HIS  87  19.352   2.754 -15.115
  648   2HB   HIS  87          HB3       HIS  87  18.022   1.724 -14.578
  649    HD1  HIS  87           HD1      HIS  87  18.795   1.547 -11.473
  650    HD2  HIS  87           HD2      HIS  87  19.028   4.933 -13.932
  651    HE1  HIS  87           HE1      HIS  87  18.551   3.560  -9.941
  652    H    LYS  88           H        LYS  88  18.316  -0.981 -14.612
  653    HA   LYS  88           HA       LYS  88  17.852  -1.841 -11.926
  654   1HB   LYS  88          HB2       LYS  88  16.338  -2.387 -13.741
  655   2HB   LYS  88          HB3       LYS  88  17.566  -3.359 -14.549
  656   1HG   LYS  88          HG2       LYS  88  17.463  -5.078 -12.935
  657   2HG   LYS  88          HG3       LYS  88  16.607  -4.081 -11.759
  658   1HD   LYS  88          HD2       LYS  88  14.562  -4.157 -13.004
  659   2HD   LYS  88          HD3       LYS  88  15.363  -4.738 -14.463
  660   1HE   LYS  88          HE2       LYS  88  15.797  -6.907 -13.489
  661   2HE   LYS  88          HE3       LYS  88  15.256  -6.371 -11.892
  662   1HZ   LYS  88          HZ1       LYS  88  13.634  -7.718 -13.259
  663   2HZ   LYS  88          HZ2       LYS  88  13.069  -6.382 -12.543
  664   3HZ   LYS  88          HZ3       LYS  88  13.355  -6.401 -14.179
  665    H    GLN  89           H        GLN  89  20.297  -2.911 -14.279
  666    HA   GLN  89           HA       GLN  89  21.417  -4.865 -12.497
  667   1HB   GLN  89          HB2       GLN  89  22.518  -3.497 -14.978
  668   2HB   GLN  89          HB3       GLN  89  23.409  -4.734 -14.092
  669   1HG   GLN  89          HG2       GLN  89  21.802  -6.428 -14.567
  670   2HG   GLN  89          HG3       GLN  89  20.590  -5.266 -15.101
  671   1HE2  GLN  89          HE22      GLN  89  20.862  -4.160 -17.113
  672   2HE2  GLN  89          HE21      GLN  89  21.877  -4.829 -18.388
  673    H    ILE  90           H        ILE  90  22.122  -1.383 -12.968
  674    HA   ILE  90           HA       ILE  90  24.413  -1.427 -11.270
  675    HB   ILE  90           HB       ILE  90  22.528   0.892 -11.832
  676   1HG1  ILE  90          HG12      ILE  90  25.310   0.387 -12.997
  677   2HG1  ILE  90          HG13      ILE  90  23.850  -0.125 -13.813
  678   1HG2  ILE  90          HG21      ILE  90  25.339   0.904 -10.609
  679   2HG2  ILE  90          HG22      ILE  90  24.399   2.350 -11.013
  680   3HG2  ILE  90          HG23      ILE  90  23.846   1.280  -9.738
  681   1HD1  ILE  90          HD11      ILE  90  24.492   1.971 -14.767
  682   2HD1  ILE  90          HD12      ILE  90  23.032   2.262 -13.799
  683   3HD1  ILE  90          HD13      ILE  90  24.626   2.744 -13.183
  684    H    ILE  91           H        ILE  91  20.949  -0.915 -10.570
  685    HA   ILE  91           HA       ILE  91  21.192  -0.512  -7.778
  686    HB   ILE  91           HB       ILE  91  18.967  -1.801  -9.399
  687   1HG1  ILE  91          HG12      ILE  91  19.106   0.935  -8.069
  688   2HG1  ILE  91          HG13      ILE  91  19.600   0.686  -9.725
  689   1HG2  ILE  91          HG21      ILE  91  18.890  -0.893  -6.492
  690   2HG2  ILE  91          HG22      ILE  91  17.497  -1.464  -7.421
  691   3HG2  ILE  91          HG23      ILE  91  18.788  -2.584  -7.039
  692   1HD1  ILE  91          HD11      ILE  91  17.310   1.512  -9.665
  693   2HD1  ILE  91          HD12      ILE  91  17.342  -0.132 -10.329
  694   3HD1  ILE  91          HD13      ILE  91  16.790   0.165  -8.665
  695    H    ALA  92           H        ALA  92  20.843  -3.538  -9.633
  696    HA   ALA  92           HA       ALA  92  20.965  -5.284  -7.425
  697   1HB   ALA  92          HB1       ALA  92  20.297  -5.909  -9.775
  698   2HB   ALA  92          HB2       ALA  92  22.004  -5.822 -10.250
  699   3HB   ALA  92          HB3       ALA  92  21.485  -7.033  -9.069
  700    H    SER  93           H        SER  93  23.578  -3.842  -9.332
  701    HA   SER  93           HA       SER  93  25.680  -5.401  -8.170
  702   1HB   SER  93          HB2       SER  93  25.812  -2.709  -9.593
  703   2HB   SER  93          HB3       SER  93  27.168  -3.812  -9.303
  704    HG   SER  93           HG       SER  93  24.860  -4.249 -10.913
  705    H    GLN  94           H        GLN  94  24.220  -2.254  -7.275
  706    HA   GLN  94           HA       GLN  94  26.391  -1.747  -5.381
  707   1HB   GLN  94          HB2       GLN  94  25.234   0.236  -4.719
  708   2HB   GLN  94          HB3       GLN  94  25.404   0.154  -6.472
  709   1HG   GLN  94          HG2       GLN  94  23.051  -0.329  -6.736
  710   2HG   GLN  94          HG3       GLN  94  22.833  -0.543  -5.004
  711   1HE2  GLN  94          HE22      GLN  94  21.425   1.079  -4.482
  712   2HE2  GLN  94          HE21      GLN  94  21.748   2.780  -4.698
  713    H    PHE  95           H        PHE  95  23.048  -2.994  -5.211
  714    HA   PHE  95           HA       PHE  95  23.237  -3.036  -2.260
  715   1HB   PHE  95          HB2       PHE  95  21.011  -3.709  -4.192
  716   2HB   PHE  95          HB3       PHE  95  20.860  -3.774  -2.439
  717    HD1  PHE  95           HD1      PHE  95  19.270  -2.153  -4.525
  718    HD2  PHE  95           HD2      PHE  95  22.475  -1.095  -1.832
  719    HE1  PHE  95           HE1      PHE  95  18.367   0.150  -4.325
  720    HE2  PHE  95           HE2      PHE  95  21.614   1.166  -1.688
  721    HZ   PHE  95           HZ       PHE  95  19.491   1.795  -2.841
  722    H    GLY  96           H        GLY  96  23.812  -5.386  -4.784
  723   1HA   GLY  96          HA2       GLY  96  24.650  -7.541  -4.384
  724   2HA   GLY  96          HA3       GLY  96  24.141  -7.464  -2.693
  725    H    ARG  97           H        ARG  97  22.652  -7.192  -5.921
  726    HA   ARG  97           HA       ARG  97  20.788  -7.957  -6.858
  727   1HB   ARG  97          HB2       ARG  97  22.394  -9.933  -6.707
  728   2HB   ARG  97          HB3       ARG  97  21.322 -10.590  -5.469
  729   1HG   ARG  97          HG2       ARG  97  19.426 -10.491  -7.161
  730   2HG   ARG  97          HG3       ARG  97  20.565  -9.834  -8.340
  731   1HD   ARG  97          HD2       ARG  97  20.290 -12.170  -8.782
  732   2HD   ARG  97          HD3       ARG  97  21.928 -11.912  -8.154
  733    HE   ARG  97           HE       ARG  97  20.076 -12.560  -6.041
  734   1HH1  ARG  97          HH21      ARG  97  21.891 -14.084  -8.681
  735   2HH1  ARG  97          HH22      ARG  97  21.959 -15.636  -7.933
  736   1HH2  ARG  97          HH11      ARG  97  20.172 -14.625  -5.033
  737   2HH2  ARG  97          HH12      ARG  97  20.954 -15.946  -5.812
  738    H    TYR  98           H        TYR  98  19.946  -6.386  -4.908
  739    HA   TYR  98           HA       TYR  98  17.499  -7.592  -3.772
  740   1HB   TYR  98          HB2       TYR  98  18.589  -4.771  -4.006
  741   2HB   TYR  98          HB3       TYR  98  16.908  -5.059  -3.624
  742    HD1  TYR  98           HD1      TYR  98  20.290  -6.269  -2.399
  743    HD2  TYR  98           HD2      TYR  98  16.252  -5.107  -1.414
  744    HE1  TYR  98           HE1      TYR  98  20.821  -6.472  -0.002
  745    HE2  TYR  98           HE2      TYR  98  16.774  -5.307   0.989
  746    HH   TYR  98           HH       TYR  98  18.406  -5.816   2.582
  747    H    ARG  99           H        ARG  99  18.437  -7.606  -6.748
  748    HA   ARG  99           HA       ARG  99  16.943  -6.080  -8.472
  749   1HB   ARG  99          HB2       ARG  99  18.856  -7.533  -9.033
  750   2HB   ARG  99          HB3       ARG  99  17.879  -8.972  -8.746
  751   1HG   ARG  99          HG2       ARG  99  16.486  -8.509 -10.662
  752   2HG   ARG  99          HG3       ARG  99  17.241  -6.918 -10.905
  753   1HD   ARG  99          HD2       ARG  99  19.291  -7.861 -11.628
  754   2HD   ARG  99          HD3       ARG  99  18.931  -9.432 -10.909
  755    HE   ARG  99           HE       ARG  99  17.507 -10.012 -12.648
  756   1HH1  ARG  99          HH21      ARG  99  19.057  -6.878 -13.352
  757   2HH1  ARG  99          HH22      ARG  99  18.577  -6.911 -15.030
  758   1HH2  ARG  99          HH11      ARG  99  17.029 -10.045 -14.902
  759   2HH2  ARG  99          HH12      ARG  99  17.503  -8.704 -15.899
  760    H    ASP 100           H        ASP 100  15.775  -8.907  -6.643
  761    HA   ASP 100           HA       ASP 100  13.513  -9.471  -8.240
  762   1HB   ASP 100          HB2       ASP 100  12.778 -10.845  -6.549
  763   2HB   ASP 100          HB3       ASP 100  14.518 -10.847  -6.302
  764    H    LYS 101           H        LYS 101  14.021  -6.823  -5.886
  765    HA   LYS 101           HA       LYS 101  11.191  -6.162  -5.781
  766   1HB   LYS 101          HB2       LYS 101  13.082  -5.741  -4.020
  767   2HB   LYS 101          HB3       LYS 101  13.507  -4.338  -5.019
  768   1HG   LYS 101          HG2       LYS 101  11.155  -3.520  -4.794
  769   2HG   LYS 101          HG3       LYS 101  10.767  -4.943  -3.827
  770   1HD   LYS 101          HD2       LYS 101  12.720  -2.726  -3.069
  771   2HD   LYS 101          HD3       LYS 101  11.069  -2.911  -2.479
  772   1HE   LYS 101          HE2       LYS 101  11.763  -5.230  -1.619
  773   2HE   LYS 101          HE3       LYS 101  13.435  -4.762  -1.972
  774   1HZ   LYS 101          HZ1       LYS 101  12.801  -4.286   0.341
  775   2HZ   LYS 101          HZ2       LYS 101  13.133  -2.873  -0.451
  776   3HZ   LYS 101          HZ3       LYS 101  11.599  -3.276  -0.150
  777    H    VAL 102           H        VAL 102  13.621  -5.734  -8.178
  778    HA   VAL 102           HA       VAL 102  12.647  -3.066  -8.930
  779    HB   VAL 102           HB       VAL 102  15.042  -4.512 -10.093
  780   1HG1  VAL 102          HG11      VAL 102  14.266  -2.502 -11.318
  781   2HG1  VAL 102          HG12      VAL 102  14.316  -1.556  -9.825
  782   3HG1  VAL 102          HG13      VAL 102  15.815  -2.174 -10.535
  783   1HG2  VAL 102          HG21      VAL 102  15.185  -2.652  -7.690
  784   2HG2  VAL 102          HG22      VAL 102  15.468  -4.403  -7.646
  785   3HG2  VAL 102          HG23      VAL 102  16.539  -3.375  -8.593
  786    H    PHE 103           H        PHE 103  11.618  -2.736 -10.876
  787    HA   PHE 103           HA       PHE 103  11.653  -4.873 -12.919
  788   1HB   PHE 103          HB2       PHE 103   9.232  -3.309 -11.959
  789   2HB   PHE 103          HB3       PHE 103   9.309  -4.189 -13.481
  790    HD1  PHE 103           HD1      PHE 103   9.516  -4.644  -9.763
  791    HD2  PHE 103           HD2      PHE 103   8.923  -6.544 -13.591
  792    HE1  PHE 103           HE1      PHE 103   8.804  -6.726  -8.621
  793    HE2  PHE 103           HE2      PHE 103   8.211  -8.623 -12.444
  794    HZ   PHE 103           HZ       PHE 103   8.147  -8.720  -9.958
  795    H    THR 104           H        THR 104  11.761  -4.027 -15.004
  796    HA   THR 104           HA       THR 104  12.752  -1.287 -15.140
  797    HB   THR 104           HB       THR 104  12.208  -2.908 -17.620
  798    HG1  THR 104           HG1      THR 104  13.175  -4.431 -16.117
  799   1HG2  THR 104          HG21      THR 104  14.420  -2.027 -18.286
  800   2HG2  THR 104          HG22      THR 104  13.338  -0.703 -17.800
  801   3HG2  THR 104          HG23      THR 104  14.602  -1.275 -16.688
  802    H    LEU 105           H        LEU 105  11.709   0.382 -16.421
  803    HA   LEU 105           HA       LEU 105   9.101   0.710 -15.671
  804   1HB   LEU 105          HB2       LEU 105  10.680   2.514 -16.301
  805   2HB   LEU 105          HB3       LEU 105  10.408   2.128 -18.005
  806    HG   LEU 105           HG       LEU 105   7.979   2.686 -17.715
  807   1HD1  LEU 105          HD11      LEU 105   7.375   4.058 -15.634
  808   2HD1  LEU 105          HD12      LEU 105   7.522   2.323 -15.388
  809   3HD1  LEU 105          HD13      LEU 105   8.844   3.418 -14.880
  810   1HD2  LEU 105          HD21      LEU 105   9.827   4.895 -16.764
  811   2HD2  LEU 105          HD22      LEU 105   9.624   4.357 -18.468
  812   3HD2  LEU 105          HD23      LEU 105   8.272   5.096 -17.594
  813    H    LYS 106           H        LYS 106  10.097  -0.224 -19.003
  814    HA   LYS 106           HA       LYS 106   7.308  -0.675 -19.751
  815   1HB   LYS 106          HB2       LYS 106   9.929  -1.463 -21.061
  816   2HB   LYS 106          HB3       LYS 106   8.365  -1.825 -21.761
  817   1HG   LYS 106          HG2       LYS 106   9.200   1.030 -21.088
  818   2HG   LYS 106          HG3       LYS 106   9.558   0.268 -22.639
  819   1HD   LYS 106          HD2       LYS 106   7.226  -0.002 -23.177
  820   2HD   LYS 106          HD3       LYS 106   6.732   0.437 -21.550
  821   1HE   LYS 106          HE2       LYS 106   6.243   2.299 -22.917
  822   2HE   LYS 106          HE3       LYS 106   7.605   2.748 -21.893
  823   1HZ   LYS 106          HZ1       LYS 106   7.787   3.462 -24.224
  824   2HZ   LYS 106          HZ2       LYS 106   9.065   2.533 -23.771
  825   3HZ   LYS 106          HZ3       LYS 106   7.870   1.903 -24.722
  826    H    GLU 107           H        GLU 107   9.912  -2.740 -18.406
  827    HA   GLU 107           HA       GLU 107   8.783  -5.250 -18.866
  828   1HB   GLU 107          HB2       GLU 107  11.036  -4.867 -17.926
  829   2HB   GLU 107          HB3       GLU 107  10.309  -4.286 -16.434
  830   1HG   GLU 107          HG2       GLU 107   9.310  -6.571 -16.092
  831   2HG   GLU 107          HG3       GLU 107  10.263  -7.117 -17.480
  832    H    TYR 108           H        TYR 108   8.091  -2.989 -16.153
  833    HA   TYR 108           HA       TYR 108   6.365  -4.783 -14.774
  834   1HB   TYR 108          HB2       TYR 108   7.557  -2.681 -13.922
  835   2HB   TYR 108          HB3       TYR 108   6.269  -1.752 -14.670
  836    HD1  TYR 108           HD1      TYR 108   4.321  -1.311 -13.390
  837    HD2  TYR 108           HD2      TYR 108   6.846  -4.606 -12.279
  838    HE1  TYR 108           HE1      TYR 108   2.956  -1.659 -11.343
  839    HE2  TYR 108           HE2      TYR 108   5.549  -4.936 -10.216
  840    HH   TYR 108           HH       TYR 108   3.715  -4.207  -8.925
  841    H    VAL 109           H        VAL 109   5.767  -2.783 -17.576
  842    HA   VAL 109           HA       VAL 109   2.818  -2.969 -17.191
  843    HB   VAL 109           HB       VAL 109   4.499  -0.983 -18.771
  844   1HG1  VAL 109          HG11      VAL 109   2.410   0.344 -18.855
  845   2HG1  VAL 109          HG12      VAL 109   2.205  -1.196 -19.690
  846   3HG1  VAL 109          HG13      VAL 109   1.534  -0.984 -18.058
  847   1HG2  VAL 109          HG21      VAL 109   3.792   0.592 -16.946
  848   2HG2  VAL 109          HG22      VAL 109   3.161  -0.794 -16.034
  849   3HG2  VAL 109          HG23      VAL 109   4.899  -0.655 -16.387
  850    H    THR 110           H        THR 110   5.216  -2.981 -19.975
  851    HA   THR 110           HA       THR 110   3.158  -4.096 -21.720
  852    HB   THR 110           HB       THR 110   4.920  -3.977 -23.416
  853    HG1  THR 110           HG1      THR 110   6.970  -3.375 -22.894
  854   1HG2  THR 110          HG21      THR 110   5.307  -1.579 -23.465
  855   2HG2  THR 110          HG22      THR 110   3.684  -1.861 -22.819
  856   3HG2  THR 110          HG23      THR 110   5.014  -1.425 -21.722
  857    H    GLY 111           H        GLY 111   5.817  -5.197 -19.727
  858   1HA   GLY 111          HA2       GLY 111   6.016  -7.449 -18.963
  859   2HA   GLY 111          HA3       GLY 111   5.275  -8.037 -20.453
  860    H    SER 112           H        SER 112   7.574  -5.548 -21.173
  861    HA   SER 112           HA       SER 112   9.793  -7.483 -21.528
  862   1HB   SER 112          HB2       SER 112   8.713  -5.591 -23.659
  863   2HB   SER 112          HB3       SER 112  10.075  -6.707 -23.837
  864    HG   SER 112           HG       SER 112   8.618  -8.439 -23.596
  865    H    HIS 113           H        HIS 113  11.832  -6.549 -21.288
  866    HA   HIS 113           HA       HIS 113  12.015  -4.187 -19.761
  867   1HB   HIS 113          HB2       HIS 113  14.279  -5.372 -21.382
  868   2HB   HIS 113          HB3       HIS 113  14.387  -4.448 -19.889
  869    HD1  HIS 113           HD1      HIS 113  13.158  -5.927 -17.650
  870    HD2  HIS 113           HD2      HIS 113  14.384  -7.919 -21.152
  871    HE1  HIS 113           HE1      HIS 113  13.313  -8.390 -17.057
  872    H    GLY 114           H        GLY 114  12.578  -2.017 -20.282
  873   1HA   GLY 114          HA2       GLY 114  13.442  -0.998 -22.724
  874   2HA   GLY 114          HA3       GLY 114  11.678  -1.123 -22.833
  875    H    ASP 115           H        ASP 115  12.304   1.291 -23.059
  876    HA   ASP 115           HA       ASP 115  12.198   2.752 -20.500
  877   1HB   ASP 115          HB2       ASP 115  14.534   2.659 -21.283
  878   2HB   ASP 115          HB3       ASP 115  14.038   3.182 -22.888
  879    H    VAL 116           H        VAL 116  11.578   5.130 -21.083
  880    HA   VAL 116           HA       VAL 116   9.421   5.101 -23.165
  881    HB   VAL 116           HB       VAL 116   9.795   6.700 -20.630
  882   1HG1  VAL 116          HG11      VAL 116   7.786   7.219 -22.836
  883   2HG1  VAL 116          HG12      VAL 116   7.631   7.847 -21.182
  884   3HG1  VAL 116          HG13      VAL 116   8.976   8.363 -22.197
  885   1HG2  VAL 116          HG21      VAL 116   7.461   5.009 -21.616
  886   2HG2  VAL 116          HG22      VAL 116   8.728   4.406 -20.530
  887   3HG2  VAL 116          HG23      VAL 116   7.662   5.721 -20.005
  888    H    LEU 117           H        LEU 117  11.445   7.727 -21.822
  889    HA   LEU 117           HA       LEU 117  12.796   8.363 -24.314
  890   1HB   LEU 117          HB2       LEU 117  10.291   9.138 -24.486
  891   2HB   LEU 117          HB3       LEU 117  10.680  10.286 -23.228
  892    HG   LEU 117           HG       LEU 117  12.022  10.142 -25.995
  893   1HD1  LEU 117          HD11      LEU 117   9.641  10.729 -26.138
  894   2HD1  LEU 117          HD12      LEU 117   9.900  12.064 -24.999
  895   3HD1  LEU 117          HD13      LEU 117  10.687  12.083 -26.588
  896   1HD2  LEU 117          HD21      LEU 117  12.332  12.203 -23.799
  897   2HD2  LEU 117          HD22      LEU 117  13.594  11.236 -24.604
  898   3HD2  LEU 117          HD23      LEU 117  12.757  12.483 -25.500
  899    H    ASP 118           H        ASP 118  14.695   9.449 -23.521
  900    HA   ASP 118           HA       ASP 118  14.651  10.419 -20.716
  901   1HB   ASP 118          HB2       ASP 118  16.447   8.931 -21.075
  902   2HB   ASP 118          HB3       ASP 118  16.911   9.731 -22.585
  903    HA   PRO 119           HA       PRO 119  14.311  14.267 -23.137
  904   1HB   PRO 119          HB2       PRO 119  12.897  15.815 -21.411
  905   2HB   PRO 119          HB3       PRO 119  12.126  14.465 -22.271
  906   1HG   PRO 119          HG2       PRO 119  13.315  14.419 -19.479
  907   2HG   PRO 119          HG3       PRO 119  11.657  13.936 -19.969
  908   1HD   PRO 119          HD2       PRO 119  13.629  12.080 -19.758
  909   2HD   PRO 119          HD3       PRO 119  12.451  12.034 -21.108
  910    H    PHE 120           H        PHE 120  16.259  13.552 -20.427
  911    HA   PHE 120           HA       PHE 120  16.627  15.919 -19.127
  912   1HB   PHE 120          HB2       PHE 120  17.562  13.774 -18.435
  913   2HB   PHE 120          HB3       PHE 120  18.775  13.870 -19.708
  914    HD1  PHE 120           HD1      PHE 120  17.486  15.645 -16.646
  915    HD2  PHE 120           HD2      PHE 120  20.832  15.034 -19.307
  916    HE1  PHE 120           HE1      PHE 120  18.942  16.933 -15.114
  917    HE2  PHE 120           HE2      PHE 120  22.284  16.328 -17.766
  918    HZ   PHE 120           HZ       PHE 120  21.344  17.280 -15.668
  919    H    GLY 121           H        GLY 121  16.982  17.898 -19.883
  920   1HA   GLY 121          HA2       GLY 121  18.393  19.618 -20.540
  921   2HA   GLY 121          HA3       GLY 121  19.477  18.468 -21.334
  922    H    GLY 122           H        GLY 122  16.288  17.781 -22.319
  923   1HA   GLY 122          HA2       GLY 122  16.625  18.935 -24.971
  924   2HA   GLY 122          HA3       GLY 122  15.255  18.007 -24.346
  925    H    SER 123           H        SER 123  14.429  20.000 -25.828
  926    HA   SER 123           HA       SER 123  13.973  22.481 -24.361
  927   1HB   SER 123          HB2       SER 123  12.386  22.838 -26.321
  928   2HB   SER 123          HB3       SER 123  14.095  22.651 -26.738
  929    HG   SER 123           HG       SER 123  12.785  21.398 -28.097
  930    H    ILE 124           H        ILE 124  11.602  23.056 -23.972
  931    HA   ILE 124           HA       ILE 124  10.372  21.272 -22.210
  932    HB   ILE 124           HB       ILE 124   9.905  23.613 -22.111
  933   1HG1  ILE 124          HG12      ILE 124   7.460  23.755 -22.032
  934   2HG1  ILE 124          HG13      ILE 124   7.301  22.286 -22.984
  935   1HG2  ILE 124          HG21      ILE 124  10.132  24.277 -24.472
  936   2HG2  ILE 124          HG22      ILE 124   8.594  23.466 -24.857
  937   3HG2  ILE 124          HG23      ILE 124   8.628  24.875 -23.786
  938   1HD1  ILE 124          HD11      ILE 124   6.901  21.920 -20.576
  939   2HD1  ILE 124          HD12      ILE 124   8.272  20.961 -21.137
  940   3HD1  ILE 124          HD13      ILE 124   8.559  22.452 -20.212
  941    H    ASP 125           H        ASP 125  10.013  21.534 -25.713
  942    HA   ASP 125           HA       ASP 125   7.678  19.947 -25.893
  943   1HB   ASP 125          HB2       ASP 125   8.572  21.289 -27.790
  944   2HB   ASP 125          HB3       ASP 125   9.874  20.101 -27.979
  945    H    ILE 126           H        ILE 126  11.095  19.005 -25.547
  946    HA   ILE 126           HA       ILE 126  10.612  16.222 -26.220
  947    HB   ILE 126           HB       ILE 126  12.862  17.343 -24.522
  948   1HG1  ILE 126          HG12      ILE 126  12.860  18.503 -26.684
  949   2HG1  ILE 126          HG13      ILE 126  14.232  17.425 -26.538
  950   1HG2  ILE 126          HG21      ILE 126  14.077  15.313 -25.289
  951   2HG2  ILE 126          HG22      ILE 126  12.612  14.899 -24.384
  952   3HG2  ILE 126          HG23      ILE 126  12.609  14.757 -26.128
  953   1HD1  ILE 126          HD11      ILE 126  13.132  15.760 -28.023
  954   2HD1  ILE 126          HD12      ILE 126  11.702  16.809 -28.140
  955   3HD1  ILE 126          HD13      ILE 126  13.256  17.345 -28.802
  956    H    TYR 127           H        TYR 127  10.554  18.120 -23.210
  957    HA   TYR 127           HA       TYR 127   9.966  15.828 -21.559
  958   1HB   TYR 127          HB2       TYR 127   9.590  18.798 -21.060
  959   2HB   TYR 127          HB3       TYR 127   9.179  17.555 -19.893
  960    HD1  TYR 127           HD1      TYR 127  12.027  19.005 -21.796
  961    HD2  TYR 127           HD2      TYR 127  10.850  16.523 -18.507
  962    HE1  TYR 127           HE1      TYR 127  14.362  19.037 -20.960
  963    HE2  TYR 127           HE2      TYR 127  13.169  16.537 -17.651
  964    HH   TYR 127           HH       TYR 127  15.295  17.414 -17.894
  965    H    LYS 128           H        LYS 128   8.012  18.107 -23.464
  966    HA   LYS 128           HA       LYS 128   5.571  17.117 -22.352
  967   1HB   LYS 128          HB2       LYS 128   4.509  18.756 -23.413
  968   2HB   LYS 128          HB3       LYS 128   6.114  19.386 -23.619
  969   1HG   LYS 128          HG2       LYS 128   5.346  19.685 -25.725
  970   2HG   LYS 128          HG3       LYS 128   5.981  18.059 -25.961
  971   1HD   LYS 128          HD2       LYS 128   3.660  17.178 -25.435
  972   2HD   LYS 128          HD3       LYS 128   3.098  18.853 -25.414
  973   1HE   LYS 128          HE2       LYS 128   4.284  17.295 -27.757
  974   2HE   LYS 128          HE3       LYS 128   2.604  17.800 -27.561
  975   1HZ   LYS 128          HZ1       LYS 128   3.639  19.298 -29.042
  976   2HZ   LYS 128          HZ2       LYS 128   3.470  20.141 -27.657
  977   3HZ   LYS 128          HZ3       LYS 128   4.946  19.531 -28.099
  978    H    GLN 129           H        GLN 129   7.448  16.109 -25.191
  979    HA   GLN 129           HA       GLN 129   5.519  14.194 -26.088
  980   1HB   GLN 129          HB2       GLN 129   8.566  13.975 -26.249
  981   2HB   GLN 129          HB3       GLN 129   7.415  13.000 -27.143
  982   1HG   GLN 129          HG2       GLN 129   8.103  15.907 -27.569
  983   2HG   GLN 129          HG3       GLN 129   8.396  14.567 -28.631
  984   1HE2  GLN 129          HE22      GLN 129   6.998  17.134 -29.147
  985   2HE2  GLN 129          HE21      GLN 129   5.439  16.643 -29.799
  986    H    THR 130           H        THR 130   8.201  14.075 -23.759
  987    HA   THR 130           HA       THR 130   8.017  11.343 -23.105
  988    HB   THR 130           HB       THR 130   8.826  13.677 -21.295
  989    HG1  THR 130           HG1      THR 130  10.071  13.692 -23.150
  990   1HG2  THR 130          HG21      THR 130  10.271  12.022 -20.177
  991   2HG2  THR 130          HG22      THR 130   8.562  11.612 -20.004
  992   3HG2  THR 130          HG23      THR 130   9.570  10.730 -21.177
  993    H    ARG 131           H        ARG 131   6.374  14.149 -21.615
  994    HA   ARG 131           HA       ARG 131   5.228  12.579 -19.555
  995   1HB   ARG 131          HB2       ARG 131   4.223  14.489 -18.770
  996   2HB   ARG 131          HB3       ARG 131   5.460  15.215 -19.789
  997   1HG   ARG 131          HG2       ARG 131   3.613  15.155 -21.626
  998   2HG   ARG 131          HG3       ARG 131   2.487  14.897 -20.288
  999   1HD   ARG 131          HD2       ARG 131   3.332  17.050 -19.288
 1000   2HD   ARG 131          HD3       ARG 131   4.319  17.303 -20.719
 1001    HE   ARG 131           HE       ARG 131   1.856  18.308 -20.471
 1002   1HH1  ARG 131          HH21      ARG 131   3.036  16.020 -23.034
 1003   2HH1  ARG 131          HH22      ARG 131   1.680  16.388 -24.026
 1004   1HH2  ARG 131          HH11      ARG 131   0.327  18.810 -21.838
 1005   2HH2  ARG 131          HH12      ARG 131   0.140  18.043 -23.397
 1006    H    ASP 132           H        ASP 132   4.175  13.156 -22.868
 1007    HA   ASP 132           HA       ASP 132   1.492  12.243 -22.472
 1008   1HB   ASP 132          HB2       ASP 132   2.086  13.649 -24.383
 1009   2HB   ASP 132          HB3       ASP 132   3.198  12.419 -24.984
 1010    H    GLU 133           H        GLU 133   4.526  10.600 -23.456
 1011    HA   GLU 133           HA       GLU 133   3.091   8.094 -23.887
 1012   1HB   GLU 133          HB2       GLU 133   5.178   8.566 -25.112
 1013   2HB   GLU 133          HB3       GLU 133   6.085   8.545 -23.591
 1014   1HG   GLU 133          HG2       GLU 133   5.403   6.180 -23.215
 1015   2HG   GLU 133          HG3       GLU 133   4.426   6.212 -24.682
 1016    H    LEU 134           H        LEU 134   4.937   9.652 -21.331
 1017    HA   LEU 134           HA       LEU 134   5.098   7.509 -19.525
 1018   1HB   LEU 134          HB2       LEU 134   6.338   9.752 -19.537
 1019   2HB   LEU 134          HB3       LEU 134   4.870  10.476 -18.875
 1020    HG   LEU 134           HG       LEU 134   5.147   8.994 -16.857
 1021   1HD1  LEU 134          HD11      LEU 134   6.449   7.149 -17.815
 1022   2HD1  LEU 134          HD12      LEU 134   7.745   8.279 -18.285
 1023   3HD1  LEU 134          HD13      LEU 134   7.421   7.937 -16.570
 1024   1HD2  LEU 134          HD21      LEU 134   7.164  10.249 -16.015
 1025   2HD2  LEU 134          HD22      LEU 134   7.482  10.801 -17.664
 1026   3HD2  LEU 134          HD23      LEU 134   5.992  11.295 -16.832
 1027    H    GLU 135           H        GLU 135   2.553  10.003 -19.947
 1028    HA   GLU 135           HA       GLU 135   0.972   9.127 -17.764
 1029   1HB   GLU 135          HB2       GLU 135   0.662  11.301 -18.989
 1030   2HB   GLU 135          HB3       GLU 135   0.021  10.398 -20.371
 1031   1HG   GLU 135          HG2       GLU 135  -1.789   9.486 -18.821
 1032   2HG   GLU 135          HG3       GLU 135  -1.154  10.545 -17.558
 1033    H    GLU 136           H        GLU 136   1.019   8.112 -21.185
 1034    HA   GLU 136           HA       GLU 136  -1.284   6.458 -20.954
 1035   1HB   GLU 136          HB2       GLU 136  -0.237   7.318 -23.104
 1036   2HB   GLU 136          HB3       GLU 136   1.069   6.158 -22.877
 1037   1HG   GLU 136          HG2       GLU 136  -0.436   5.200 -24.442
 1038   2HG   GLU 136          HG3       GLU 136  -0.647   4.299 -22.950
 1039    H    LEU 137           H        LEU 137   2.176   5.842 -20.530
 1040    HA   LEU 137           HA       LEU 137   1.948   3.036 -20.021
 1041   1HB   LEU 137          HB2       LEU 137   4.061   4.006 -20.659
 1042   2HB   LEU 137          HB3       LEU 137   4.041   5.115 -19.299
 1043    HG   LEU 137           HG       LEU 137   3.795   2.374 -18.298
 1044   1HD1  LEU 137          HD11      LEU 137   4.931   1.695 -20.364
 1045   2HD1  LEU 137          HD12      LEU 137   6.240   2.863 -20.025
 1046   3HD1  LEU 137          HD13      LEU 137   5.958   1.480 -18.941
 1047   1HD2  LEU 137          HD21      LEU 137   5.692   3.006 -16.964
 1048   2HD2  LEU 137          HD22      LEU 137   6.023   4.422 -18.008
 1049   3HD2  LEU 137          HD23      LEU 137   4.553   4.351 -17.017
 1050    H    LEU 138           H        LEU 138   1.901   5.902 -17.879
 1051    HA   LEU 138           HA       LEU 138   1.809   4.285 -15.512
 1052   1HB   LEU 138          HB2       LEU 138   1.347   7.229 -16.006
 1053   2HB   LEU 138          HB3       LEU 138   1.194   6.519 -14.408
 1054    HG   LEU 138           HG       LEU 138   3.728   6.330 -16.098
 1055   1HD1  LEU 138          HD11      LEU 138   4.637   8.013 -14.628
 1056   2HD1  LEU 138          HD12      LEU 138   3.205   8.635 -15.460
 1057   3HD1  LEU 138          HD13      LEU 138   3.096   8.143 -13.750
 1058   1HD2  LEU 138          HD21      LEU 138   3.626   4.503 -14.465
 1059   2HD2  LEU 138          HD22      LEU 138   4.862   5.676 -14.038
 1060   3HD2  LEU 138          HD23      LEU 138   3.328   5.667 -13.157
 1061    H    ARG 139           H        ARG 139  -0.699   5.549 -17.618
 1062    HA   ARG 139           HA       ARG 139  -2.885   4.967 -15.862
 1063   1HB   ARG 139          HB2       ARG 139  -2.628   6.201 -18.276
 1064   2HB   ARG 139          HB3       ARG 139  -3.170   4.644 -18.858
 1065   1HG   ARG 139          HG2       ARG 139  -4.650   6.315 -16.758
 1066   2HG   ARG 139          HG3       ARG 139  -4.858   6.518 -18.491
 1067   1HD   ARG 139          HD2       ARG 139  -6.650   5.179 -17.899
 1068   2HD   ARG 139          HD3       ARG 139  -5.502   4.074 -18.641
 1069    HE   ARG 139           HE       ARG 139  -5.035   3.096 -16.540
 1070   1HH1  ARG 139          HH21      ARG 139  -7.363   5.792 -16.070
 1071   2HH1  ARG 139          HH22      ARG 139  -7.821   5.185 -14.485
 1072   1HH2  ARG 139          HH11      ARG 139  -5.851   2.359 -14.483
 1073   2HH2  ARG 139          HH12      ARG 139  -7.034   3.367 -13.664
 1074    H    GLN 140           H        GLN 140  -1.091   2.983 -18.248
 1075    HA   GLN 140           HA       GLN 140  -2.616   0.631 -17.607
 1076   1HB   GLN 140          HB2       GLN 140   0.150   0.842 -18.812
 1077   2HB   GLN 140          HB3       GLN 140  -0.828  -0.637 -18.686
 1078   1HG   GLN 140          HG2       GLN 140  -2.568   0.465 -20.116
 1079   2HG   GLN 140          HG3       GLN 140  -1.453   1.820 -20.355
 1080   1HE2  GLN 140          HE22      GLN 140   0.783   1.225 -21.274
 1081   2HE2  GLN 140          HE21      GLN 140   0.864  -0.103 -22.404
 1082    H    LEU 141           H        LEU 141   0.351   2.069 -16.240
 1083    HA   LEU 141           HA       LEU 141   1.006  -0.050 -14.510
 1084   1HB   LEU 141          HB2       LEU 141   2.218   2.189 -15.039
 1085   2HB   LEU 141          HB3       LEU 141   1.315   2.838 -13.672
 1086    HG   LEU 141           HG       LEU 141   2.620   0.300 -12.967
 1087   1HD1  LEU 141          HD11      LEU 141   4.908   0.936 -13.198
 1088   2HD1  LEU 141          HD12      LEU 141   4.179   1.090 -14.778
 1089   3HD1  LEU 141          HD13      LEU 141   4.491   2.541 -13.815
 1090   1HD2  LEU 141          HD21      LEU 141   1.810   1.879 -11.291
 1091   2HD2  LEU 141          HD22      LEU 141   3.549   1.596 -11.124
 1092   3HD2  LEU 141          HD23      LEU 141   2.966   3.104 -11.862
 1093    H    ALA 142           H        ALA 142  -1.324   2.619 -14.058
 1094    HA   ALA 142           HA       ALA 142  -2.119   1.875 -11.428
 1095   1HB   ALA 142          HB1       ALA 142  -3.679   3.344 -13.598
 1096   2HB   ALA 142          HB2       ALA 142  -4.139   3.240 -11.887
 1097   3HB   ALA 142          HB3       ALA 142  -2.648   4.077 -12.354
 1098    H    LYS 143           H        LYS 143  -3.310   0.869 -14.644
 1099    HA   LYS 143           HA       LYS 143  -5.359  -0.880 -13.681
 1100   1HB   LYS 143          HB2       LYS 143  -3.659  -1.244 -16.186
 1101   2HB   LYS 143          HB3       LYS 143  -5.091  -2.169 -15.780
 1102   1HG   LYS 143          HG2       LYS 143  -6.511  -0.193 -15.948
 1103   2HG   LYS 143          HG3       LYS 143  -5.109   0.845 -16.166
 1104   1HD   LYS 143          HD2       LYS 143  -6.086   0.499 -18.337
 1105   2HD   LYS 143          HD3       LYS 143  -4.532  -0.323 -18.280
 1106   1HE   LYS 143          HE2       LYS 143  -6.073  -1.748 -19.429
 1107   2HE   LYS 143          HE3       LYS 143  -5.699  -2.499 -17.880
 1108   1HZ   LYS 143          HZ1       LYS 143  -7.845  -1.677 -17.054
 1109   2HZ   LYS 143          HZ2       LYS 143  -8.166  -0.964 -18.493
 1110   3HZ   LYS 143          HZ3       LYS 143  -8.061  -2.583 -18.388
 1111    H    GLN 144           H        GLN 144  -1.886  -1.489 -14.286
 1112    HA   GLN 144           HA       GLN 144  -1.859  -4.216 -13.538
 1113   1HB   GLN 144          HB2       GLN 144   0.338  -2.127 -13.202
 1114   2HB   GLN 144          HB3       GLN 144   0.559  -3.838 -12.924
 1115   1HG   GLN 144          HG2       GLN 144  -0.314  -2.730 -15.620
 1116   2HG   GLN 144          HG3       GLN 144   1.364  -2.924 -15.138
 1117   1HE2  GLN 144          HE22      GLN 144   2.326  -4.950 -15.409
 1118   2HE2  GLN 144          HE21      GLN 144   1.437  -6.398 -15.842
 1119    H    LEU 145           H        LEU 145  -1.303  -1.290 -11.445
 1120    HA   LEU 145           HA       LEU 145  -0.897  -2.836  -9.133
 1121   1HB   LEU 145          HB2       LEU 145  -1.973   0.002  -9.314
 1122   2HB   LEU 145          HB3       LEU 145  -1.498  -0.809  -7.826
 1123    HG   LEU 145           HG       LEU 145   0.265   0.162 -10.069
 1124   1HD1  LEU 145          HD11      LEU 145   1.334   1.380  -8.351
 1125   2HD1  LEU 145          HD12      LEU 145  -0.398   1.546  -8.026
 1126   3HD1  LEU 145          HD13      LEU 145   0.565   0.418  -7.061
 1127   1HD2  LEU 145          HD21      LEU 145   2.200  -0.946  -8.926
 1128   2HD2  LEU 145          HD22      LEU 145   1.043  -1.899  -7.966
 1129   3HD2  LEU 145          HD23      LEU 145   1.114  -2.084  -9.725
 1130    H    LYS 146           H        LYS 146  -3.990  -1.461 -10.385
 1131    HA   LYS 146           HA       LYS 146  -5.482  -2.456  -8.112
 1132   1HB   LYS 146          HB2       LYS 146  -6.191  -1.261 -10.789
 1133   2HB   LYS 146          HB3       LYS 146  -7.426  -2.219  -9.947
 1134   1HG   LYS 146          HG2       LYS 146  -7.054  -0.858  -7.884
 1135   2HG   LYS 146          HG3       LYS 146  -5.938   0.170  -8.798
 1136   1HD   LYS 146          HD2       LYS 146  -7.756   0.874 -10.291
 1137   2HD   LYS 146          HD3       LYS 146  -8.873  -0.270  -9.508
 1138   1HE   LYS 146          HE2       LYS 146  -8.551   0.916  -7.334
 1139   2HE   LYS 146          HE3       LYS 146  -7.482   2.074  -8.136
 1140   1HZ   LYS 146          HZ1       LYS 146 -10.366   1.711  -8.702
 1141   2HZ   LYS 146          HZ2       LYS 146  -9.652   2.996  -7.957
 1142   3HZ   LYS 146          HZ3       LYS 146  -9.368   2.720  -9.543
 1143    H    LYS 147           H        LYS 147  -4.512  -3.953 -11.211
 1144    HA   LYS 147           HA       LYS 147  -6.167  -6.273 -10.893
 1145   1HB   LYS 147          HB2       LYS 147  -5.023  -5.611 -13.011
 1146   2HB   LYS 147          HB3       LYS 147  -3.462  -6.037 -12.292
 1147   1HG   LYS 147          HG2       LYS 147  -4.256  -8.383 -12.021
 1148   2HG   LYS 147          HG3       LYS 147  -5.802  -7.918 -12.771
 1149   1HD   LYS 147          HD2       LYS 147  -4.472  -7.115 -14.785
 1150   2HD   LYS 147          HD3       LYS 147  -3.028  -7.831 -14.063
 1151   1HE   LYS 147          HE2       LYS 147  -5.610  -9.303 -14.742
 1152   2HE   LYS 147          HE3       LYS 147  -4.185  -9.247 -15.786
 1153   1HZ   LYS 147          HZ1       LYS 147  -4.271 -10.484 -13.093
 1154   2HZ   LYS 147          HZ2       LYS 147  -4.218 -11.276 -14.512
 1155   3HZ   LYS 147          HZ3       LYS 147  -2.937 -10.391 -14.042
 1156    H    ASP 148           H        ASP 148  -2.711  -5.616  -9.930
 1157    HA   ASP 148           HA       ASP 148  -2.981  -7.292  -7.566
 1158   1HB   ASP 148          HB2       ASP 148  -2.640  -9.001  -9.393
 1159   2HB   ASP 148          HB3       ASP 148  -1.150  -8.156  -9.845
 1160    H    ARG 149           H        ARG 149  -1.174  -7.002  -6.131
 1161    HA   ARG 149           HA       ARG 149   0.265  -4.550  -6.455
 1162   1HB   ARG 149          HB2       ARG 149  -0.535  -5.645  -4.310
 1163   2HB   ARG 149          HB3       ARG 149   0.801  -6.792  -4.460
 1164   1HG   ARG 149          HG2       ARG 149   2.428  -4.927  -4.314
 1165   2HG   ARG 149          HG3       ARG 149   1.104  -3.753  -4.246
 1166   1HD   ARG 149          HD2       ARG 149   1.622  -5.971  -2.220
 1167   2HD   ARG 149          HD3       ARG 149   2.133  -4.285  -2.030
 1168    HE   ARG 149           HE       ARG 149  -0.574  -4.087  -2.488
 1169   1HH1  ARG 149          HH21      ARG 149   1.391  -5.808  -0.086
 1170   2HH1  ARG 149          HH22      ARG 149   0.175  -5.788   1.137
 1171   1HH2  ARG 149          HH12      ARG 149  -2.205  -4.067  -0.864
 1172   2HH2  ARG 149          HH11      ARG 149  -1.911  -4.767   0.680
 1173    H    ARG 150           H        ARG 150   1.038  -7.768  -7.542
 1174    HA   ARG 150           HA       ARG 150   2.891  -8.830  -8.215
 1175   1HB   ARG 150          HB2       ARG 150   3.998  -6.121  -8.975
 1176   2HB   ARG 150          HB3       ARG 150   4.505  -7.667  -9.618
 1177   1HG   ARG 150          HG2       ARG 150   1.711  -6.512 -10.080
 1178   2HG   ARG 150          HG3       ARG 150   3.089  -6.185 -11.111
 1179   1HD   ARG 150          HD2       ARG 150   1.784  -7.939 -12.116
 1180   2HD   ARG 150          HD3       ARG 150   3.362  -8.572 -11.618
 1181    HE   ARG 150           HE       ARG 150   1.243  -8.932  -9.632
 1182   1HH1  ARG 150          HH11      ARG 150   2.733 -10.460 -12.488
 1183   2HH1  ARG 150          HH12      ARG 150   2.288 -12.055 -12.003
 1184   1HH2  ARG 150          HH21      ARG 150   0.700 -10.903  -9.015
 1185   2HH2  ARG 150          HH22      ARG 150   1.066 -12.344  -9.942
  Start of MODEL   20
    1   1H    MET   1           H1       MET   1   2.105  -0.454   0.083
    2   2H    MET   1           H2       MET   1   1.044   0.571  -0.612
    3   3H    MET   1           H3       MET   1   0.925  -1.045  -0.891
    4    HA   MET   1           HA       MET   1   3.076  -1.033  -2.009
    5   1HB   MET   1          HB2       MET   1   1.042  -0.806  -3.396
    6   2HB   MET   1          HB3       MET   1   1.045   0.947  -3.176
    7   1HG   MET   1          HG2       MET   1   1.955   0.199  -5.362
    8   2HG   MET   1          HG3       MET   1   3.039   1.212  -4.437
    9   1HE   MET   1          HE1       MET   1   2.545  -2.087  -6.334
   10   2HE   MET   1          HE2       MET   1   3.635  -0.873  -7.035
   11   3HE   MET   1          HE3       MET   1   4.260  -2.466  -6.547
   12    H    ASP   2           H        ASP   2   5.069   0.019  -2.286
   13    HA   ASP   2           HA       ASP   2   5.124   2.924  -2.104
   14   1HB   ASP   2          HB2       ASP   2   5.701   2.386   0.172
   15   2HB   ASP   2          HB3       ASP   2   6.940   1.246  -0.380
   16    H    ILE   3           H        ILE   3   6.120   3.561  -3.896
   17    HA   ILE   3           HA       ILE   3   7.782   1.628  -5.408
   18    HB   ILE   3           HB       ILE   3   6.114   3.918  -6.502
   19   1HG1  ILE   3          HG12      ILE   3   5.335   0.994  -6.296
   20   2HG1  ILE   3          HG13      ILE   3   4.591   2.360  -5.473
   21   1HG2  ILE   3          HG21      ILE   3   7.549   1.625  -7.896
   22   2HG2  ILE   3          HG22      ILE   3   6.404   2.712  -8.711
   23   3HG2  ILE   3          HG23      ILE   3   7.888   3.357  -8.032
   24   1HD1  ILE   3          HD11      ILE   3   3.886   3.282  -7.718
   25   2HD1  ILE   3          HD12      ILE   3   4.416   1.738  -8.432
   26   3HD1  ILE   3          HD13      ILE   3   3.137   1.756  -7.217
   27    H    ILE   4           H        ILE   4   9.851   2.290  -6.020
   28    HA   ILE   4           HA       ILE   4  10.538   5.167  -5.717
   29    HB   ILE   4           HB       ILE   4  12.404   2.788  -5.663
   30   1HG1  ILE   4          HG12      ILE   4  11.956   4.745  -3.385
   31   2HG1  ILE   4          HG13      ILE   4  10.959   3.300  -3.544
   32   1HG2  ILE   4          HG21      ILE   4  13.463   4.747  -6.735
   33   2HG2  ILE   4          HG22      ILE   4  12.965   5.784  -5.383
   34   3HG2  ILE   4          HG23      ILE   4  14.166   4.500  -5.153
   35   1HD1  ILE   4          HD11      ILE   4  12.957   1.854  -3.533
   36   2HD1  ILE   4          HD12      ILE   4  14.004   3.268  -3.363
   37   3HD1  ILE   4          HD13      ILE   4  12.860   2.845  -2.080
   38    H    PHE   5           H        PHE   5  10.444   6.117  -7.712
   39    HA   PHE   5           HA       PHE   5  11.060   4.591 -10.146
   40   1HB   PHE   5          HB2       PHE   5  10.411   7.533  -9.629
   41   2HB   PHE   5          HB3       PHE   5  10.731   6.854 -11.216
   42    HD1  PHE   5           HD1      PHE   5   9.156   5.015 -12.127
   43    HD2  PHE   5           HD2      PHE   5   8.208   7.448  -8.692
   44    HE1  PHE   5           HE1      PHE   5   6.756   4.492 -12.421
   45    HE2  PHE   5           HE2      PHE   5   5.798   6.902  -8.996
   46    HZ   PHE   5           HZ       PHE   5   5.071   5.428 -10.851
   47    H    VAL   6           H        VAL   6  13.127   4.698 -11.133
   48    HA   VAL   6           HA       VAL   6  15.071   6.608 -10.054
   49    HB   VAL   6           HB       VAL   6  15.299   5.010  -8.394
   50   1HG1  VAL   6          HG11      VAL   6  15.539   2.602  -8.673
   51   2HG1  VAL   6          HG12      VAL   6  13.984   3.146  -9.287
   52   3HG1  VAL   6          HG13      VAL   6  15.295   2.758 -10.423
   53   1HG2  VAL   6          HG21      VAL   6  17.469   5.653  -9.365
   54   2HG2  VAL   6          HG22      VAL   6  17.517   4.047  -8.646
   55   3HG2  VAL   6          HG23      VAL   6  17.446   4.216 -10.404
   56    H    CYS   7           H        CYS   7  16.563   7.274 -11.306
   57    HA   CYS   7           HA       CYS   7  17.493   5.692 -13.612
   58   1HB   CYS   7          HB2       CYS   7  17.535   7.713 -15.029
   59   2HB   CYS   7          HB3       CYS   7  15.886   7.350 -14.514
   60    HG   CYS   7           HG       CYS   7  15.639   9.061 -12.674
   61    H    THR   8           H        THR   8  19.515   7.659 -14.380
   62    HA   THR   8           HA       THR   8  21.404   6.993 -12.362
   63    HB   THR   8           HB       THR   8  22.445   9.037 -14.108
   64    HG1  THR   8           HG1      THR   8  21.076   6.948 -15.438
   65   1HG2  THR   8          HG21      THR   8  22.813   6.010 -14.022
   66   2HG2  THR   8          HG22      THR   8  23.840   7.150 -14.927
   67   3HG2  THR   8          HG23      THR   8  23.769   7.230 -13.160
   68    H    GLY   9           H        GLY   9  20.038  10.163 -13.360
   69   1HA   GLY   9          HA2       GLY   9  21.340  11.419 -11.013
   70   2HA   GLY   9          HA3       GLY   9  20.846  12.187 -12.529
   71    H    ASN  10           H        ASN  10  18.462  10.071 -11.348
   72    HA   ASN  10           HA       ASN  10  16.404  10.236 -10.502
   73   1HB   ASN  10          HB2       ASN  10  17.425  11.024  -8.432
   74   2HB   ASN  10          HB3       ASN  10  17.417  12.685  -9.015
   75   1HD2  ASN  10          HD22      ASN  10  15.758  13.881  -8.086
   76   2HD2  ASN  10          HD21      ASN  10  14.228  13.171  -7.604
   77    H    THR  11           H        THR  11  17.455  13.590 -11.399
   78    HA   THR  11           HA       THR  11  14.822  14.497 -11.836
   79    HB   THR  11           HB       THR  11  16.068  16.442 -12.898
   80    HG1  THR  11           HG1      THR  11  18.325  16.329 -12.825
   81   1HG2  THR  11          HG21      THR  11  17.176  15.418 -10.244
   82   2HG2  THR  11          HG22      THR  11  17.214  17.091 -10.817
   83   3HG2  THR  11          HG23      THR  11  15.657  16.321 -10.444
   84    H    CYS  12           H        CYS  12  16.802  12.579 -13.963
   85    HA   CYS  12           HA       CYS  12  16.180  13.650 -16.434
   86   1HB   CYS  12          HB2       CYS  12  16.530  10.676 -15.893
   87   2HB   CYS  12          HB3       CYS  12  16.896  11.554 -17.378
   88    HG   CYS  12           HG       CYS  12  19.137  10.882 -16.242
   89    H    ARG  13           H        ARG  13  14.204  11.406 -14.503
   90    HA   ARG  13           HA       ARG  13  11.844  12.285 -15.869
   91   1HB   ARG  13          HB2       ARG  13  12.917  10.346 -17.390
   92   2HB   ARG  13          HB3       ARG  13  12.178   9.289 -16.189
   93   1HG   ARG  13          HG2       ARG  13   9.973  10.520 -16.639
   94   2HG   ARG  13          HG3       ARG  13  10.798  11.383 -17.936
   95   1HD   ARG  13          HD2       ARG  13  10.291   8.383 -17.748
   96   2HD   ARG  13          HD3       ARG  13   9.485   9.523 -18.813
   97    HE   ARG  13           HE       ARG  13  11.404   9.725 -20.175
   98   1HH1  ARG  13          HH21      ARG  13  11.774   7.178 -17.736
   99   2HH1  ARG  13          HH22      ARG  13  13.158   6.472 -18.514
  100   1HH2  ARG  13          HH11      ARG  13  13.095   8.719 -21.208
  101   2HH2  ARG  13          HH12      ARG  13  13.994   7.429 -20.490
  102    H    SER  14           H        SER  14  13.406  10.259 -13.385
  103    HA   SER  14           HA       SER  14  11.306   8.840 -12.452
  104   1HB   SER  14          HB2       SER  14  13.396  10.118 -10.672
  105   2HB   SER  14          HB3       SER  14  12.548   8.585 -10.436
  106    HG   SER  14           HG       SER  14  13.583   7.832 -12.369
  107    HA   PRO  15           HA       PRO  15   9.607  12.135  -9.548
  108   1HB   PRO  15          HB2       PRO  15  10.107  14.794  -9.782
  109   2HB   PRO  15          HB3       PRO  15  11.140  13.659  -8.860
  110   1HG   PRO  15          HG2       PRO  15  11.567  14.636 -11.698
  111   2HG   PRO  15          HG3       PRO  15  12.747  14.608 -10.344
  112   1HD   PRO  15          HD2       PRO  15  12.658  12.630 -12.185
  113   2HD   PRO  15          HD3       PRO  15  12.970  12.265 -10.459
  114    H    MET  16           H        MET  16   9.875  12.794 -13.032
  115    HA   MET  16           HA       MET  16   7.354  14.176 -13.274
  116   1HB   MET  16          HB2       MET  16   8.764  12.392 -15.311
  117   2HB   MET  16          HB3       MET  16   7.377  13.412 -15.618
  118   1HG   MET  16          HG2       MET  16   8.656  15.420 -15.283
  119   2HG   MET  16          HG3       MET  16  10.040  14.507 -14.669
  120   1HE   MET  16          HE1       MET  16   7.829  13.522 -17.917
  121   2HE   MET  16          HE2       MET  16   7.830  15.304 -17.826
  122   3HE   MET  16          HE3       MET  16   8.707  14.476 -19.128
  123    H    ALA  17           H        ALA  17   8.466  10.793 -13.483
  124    HA   ALA  17           HA       ALA  17   5.906   9.666 -13.974
  125   1HB   ALA  17          HB1       ALA  17   8.110   8.500 -14.393
  126   2HB   ALA  17          HB2       ALA  17   8.326   8.348 -12.638
  127   3HB   ALA  17          HB3       ALA  17   6.983   7.519 -13.436
  128    H    GLU  18           H        GLU  18   7.694  10.283 -10.986
  129    HA   GLU  18           HA       GLU  18   5.864   9.171  -9.173
  130   1HB   GLU  18          HB2       GLU  18   8.215  10.029  -8.796
  131   2HB   GLU  18          HB3       GLU  18   7.577  11.672  -8.877
  132   1HG   GLU  18          HG2       GLU  18   6.054  10.899  -6.897
  133   2HG   GLU  18          HG3       GLU  18   7.234   9.599  -6.732
  134    H    ALA  19           H        ALA  19   5.960  12.479 -10.512
  135    HA   ALA  19           HA       ALA  19   3.734  13.359  -8.924
  136   1HB   ALA  19          HB1       ALA  19   5.496  14.848  -9.865
  137   2HB   ALA  19          HB2       ALA  19   4.856  14.548 -11.499
  138   3HB   ALA  19          HB3       ALA  19   3.869  15.383 -10.277
  139    H    LEU  20           H        LEU  20   4.071  12.099 -12.204
  140    HA   LEU  20           HA       LEU  20   1.348  12.570 -12.942
  141   1HB   LEU  20          HB2       LEU  20   3.619  11.854 -14.333
  142   2HB   LEU  20          HB3       LEU  20   2.758  10.325 -14.294
  143    HG   LEU  20           HG       LEU  20   1.772  12.997 -15.385
  144   1HD1  LEU  20          HD11      LEU  20   3.449  11.915 -16.789
  145   2HD1  LEU  20          HD12      LEU  20   2.524  10.396 -16.773
  146   3HD1  LEU  20          HD13      LEU  20   1.864  11.846 -17.564
  147   1HD2  LEU  20          HD21      LEU  20  -0.189  11.786 -16.243
  148   2HD2  LEU  20          HD22      LEU  20   0.334  10.313 -15.386
  149   3HD2  LEU  20          HD23      LEU  20  -0.170  11.763 -14.489
  150    H    PHE  21           H        PHE  21   3.091   9.781 -11.478
  151    HA   PHE  21           HA       PHE  21   0.754   8.152 -11.631
  152   1HB   PHE  21          HB2       PHE  21   3.140   7.250 -11.377
  153   2HB   PHE  21          HB3       PHE  21   2.999   7.648  -9.661
  154    HD1  PHE  21           HD1      PHE  21   1.414   5.806 -12.491
  155    HD2  PHE  21           HD2      PHE  21   1.555   6.226  -8.210
  156    HE1  PHE  21           HE1      PHE  21  -0.094   3.893 -12.259
  157    HE2  PHE  21           HE2      PHE  21   0.044   4.267  -7.989
  158    HZ   PHE  21           HZ       PHE  21  -0.761   3.085 -10.001
  159    H    LYS  22           H        LYS  22   2.027  10.356  -9.115
  160    HA   LYS  22           HA       LYS  22   0.067   9.606  -7.179
  161   1HB   LYS  22          HB2       LYS  22   1.652  12.164  -7.635
  162   2HB   LYS  22          HB3       LYS  22   0.397  12.078  -6.378
  163   1HG   LYS  22          HG2       LYS  22   1.442   9.987  -5.461
  164   2HG   LYS  22          HG3       LYS  22   2.723  10.160  -6.645
  165   1HD   LYS  22          HD2       LYS  22   2.164  12.235  -4.488
  166   2HD   LYS  22          HD3       LYS  22   3.280  10.868  -4.318
  167   1HE   LYS  22          HE2       LYS  22   4.350  11.723  -6.524
  168   2HE   LYS  22          HE3       LYS  22   3.515  13.243  -6.206
  169   1HZ   LYS  22          HZ1       LYS  22   5.292  11.958  -4.212
  170   2HZ   LYS  22          HZ2       LYS  22   5.875  13.000  -5.305
  171   3HZ   LYS  22          HZ3       LYS  22   4.752  13.506  -4.204
  172    H    SER  23           H        SER  23  -0.064  11.948  -9.851
  173    HA   SER  23           HA       SER  23  -2.681  12.817  -9.187
  174   1HB   SER  23          HB2       SER  23  -1.339  12.742 -11.919
  175   2HB   SER  23          HB3       SER  23  -2.721  13.756 -11.442
  176    HG   SER  23           HG       SER  23  -0.043  13.829 -10.474
  177    H    ILE  24           H        ILE  24  -1.631  10.108 -11.273
  178    HA   ILE  24           HA       ILE  24  -4.350   9.463 -11.988
  179    HB   ILE  24           HB       ILE  24  -1.814   7.819 -12.261
  180   1HG1  ILE  24          HG12      ILE  24  -3.499   9.432 -14.256
  181   2HG1  ILE  24          HG13      ILE  24  -1.930   9.915 -13.631
  182   1HG2  ILE  24          HG21      ILE  24  -3.831   6.340 -12.145
  183   2HG2  ILE  24          HG22      ILE  24  -4.605   7.308 -13.413
  184   3HG2  ILE  24          HG23      ILE  24  -3.142   6.343 -13.753
  185   1HD1  ILE  24          HD11      ILE  24  -1.628   9.065 -15.852
  186   2HD1  ILE  24          HD12      ILE  24  -0.905   7.904 -14.721
  187   3HD1  ILE  24          HD13      ILE  24  -2.480   7.570 -15.485
  188    H    ALA  25           H        ALA  25  -2.165   8.410  -9.400
  189    HA   ALA  25           HA       ALA  25  -3.830   6.342  -8.405
  190   1HB   ALA  25          HB1       ALA  25  -1.775   8.054  -6.939
  191   2HB   ALA  25          HB2       ALA  25  -2.490   6.548  -6.337
  192   3HB   ALA  25          HB3       ALA  25  -1.454   6.516  -7.778
  193    H    GLU  26           H        GLU  26  -3.725   9.861  -7.783
  194    HA   GLU  26           HA       GLU  26  -5.759   9.744  -5.783
  195   1HB   GLU  26          HB2       GLU  26  -4.173  11.611  -5.989
  196   2HB   GLU  26          HB3       GLU  26  -4.895  12.074  -7.533
  197   1HG   GLU  26          HG2       GLU  26  -7.046  12.542  -6.399
  198   2HG   GLU  26          HG3       GLU  26  -6.393  11.952  -4.870
  199    H    ARG  27           H        ARG  27  -5.861  10.027  -9.361
  200    HA   ARG  27           HA       ARG  27  -8.699  10.399  -9.507
  201   1HB   ARG  27          HB2       ARG  27  -7.108   8.723 -11.498
  202   2HB   ARG  27          HB3       ARG  27  -8.708   9.380 -11.700
  203   1HG   ARG  27          HG2       ARG  27  -6.075  10.774 -11.944
  204   2HG   ARG  27          HG3       ARG  27  -7.425  10.694 -13.042
  205   1HD   ARG  27          HD2       ARG  27  -7.703  12.847 -12.356
  206   2HD   ARG  27          HD3       ARG  27  -8.675  12.067 -11.100
  207    HE   ARG  27           HE       ARG  27  -5.802  12.346 -10.539
  208   1HH1  ARG  27          HH21      ARG  27  -9.013  13.769  -9.956
  209   2HH1  ARG  27          HH22      ARG  27  -8.461  14.792  -8.679
  210   1HH2  ARG  27          HH11      ARG  27  -5.068  13.804  -8.999
  211   2HH2  ARG  27          HH12      ARG  27  -6.174  14.636  -7.966
  212    H    GLU  28           H        GLU  28  -6.753   7.427  -9.391
  213    HA   GLU  28           HA       GLU  28  -9.120   5.736  -9.476
  214   1HB   GLU  28          HB2       GLU  28  -6.154   5.099  -9.136
  215   2HB   GLU  28          HB3       GLU  28  -7.416   3.894  -9.362
  216   1HG   GLU  28          HG2       GLU  28  -6.525   5.999 -11.365
  217   2HG   GLU  28          HG3       GLU  28  -6.335   4.256 -11.475
  218    H    GLY  29           H        GLY  29  -7.338   7.154  -6.885
  219   1HA   GLY  29          HA2       GLY  29  -7.485   6.963  -4.623
  220   2HA   GLY  29          HA3       GLY  29  -8.856   5.849  -4.788
  221    H    LEU  30           H        LEU  30  -5.468   5.555  -6.122
  222    HA   LEU  30           HA       LEU  30  -5.387   2.774  -5.205
  223   1HB   LEU  30          HB2       LEU  30  -3.759   4.494  -7.012
  224   2HB   LEU  30          HB3       LEU  30  -2.772   3.404  -6.062
  225    HG   LEU  30           HG       LEU  30  -5.322   2.400  -7.444
  226   1HD1  LEU  30          HD11      LEU  30  -4.037   1.649  -9.386
  227   2HD1  LEU  30          HD12      LEU  30  -4.077   3.416  -9.253
  228   3HD1  LEU  30          HD13      LEU  30  -2.612   2.534  -8.782
  229   1HD2  LEU  30          HD21      LEU  30  -2.726   1.016  -6.636
  230   2HD2  LEU  30          HD22      LEU  30  -4.273   0.901  -5.783
  231   3HD2  LEU  30          HD23      LEU  30  -4.122   0.231  -7.407
  232    H    ASN  31           H        ASN  31  -4.796   2.171  -3.241
  233    HA   ASN  31           HA       ASN  31  -3.602   3.954  -1.289
  234   1HB   ASN  31          HB2       ASN  31  -4.925   2.037  -0.515
  235   2HB   ASN  31          HB3       ASN  31  -3.861   0.910  -1.370
  236   1HD2  ASN  31          HD22      ASN  31  -3.873   3.403   1.254
  237   2HD2  ASN  31          HD21      ASN  31  -2.521   2.722   2.117
  238    H    VAL  32           H        VAL  32  -1.577   4.740  -1.672
  239    HA   VAL  32           HA       VAL  32   0.563   2.955  -2.576
  240    HB   VAL  32           HB       VAL  32  -0.838   3.991  -4.510
  241   1HG1  VAL  32          HG11      VAL  32  -0.865   6.274  -3.744
  242   2HG1  VAL  32          HG12      VAL  32   0.868   6.373  -4.189
  243   3HG1  VAL  32          HG13      VAL  32  -0.375   6.011  -5.420
  244   1HG2  VAL  32          HG21      VAL  32   2.048   3.759  -4.741
  245   2HG2  VAL  32          HG22      VAL  32   0.685   2.721  -5.317
  246   3HG2  VAL  32          HG23      VAL  32   0.961   4.280  -6.058
  247    H    ASN  33           H        ASN  33   2.475   4.229  -2.889
  248    HA   ASN  33           HA       ASN  33   2.772   6.884  -1.831
  249   1HB   ASN  33          HB2       ASN  33   3.096   5.359   0.198
  250   2HB   ASN  33          HB3       ASN  33   4.458   4.622  -0.656
  251   1HD2  ASN  33          HD22      ASN  33   6.465   5.830  -0.808
  252   2HD2  ASN  33          HD21      ASN  33   6.656   7.410  -0.062
  253    H    VAL  34           H        VAL  34   4.421   7.761  -3.224
  254    HA   VAL  34           HA       VAL  34   6.100   5.846  -4.612
  255    HB   VAL  34           HB       VAL  34   5.509   6.455  -6.816
  256   1HG1  VAL  34          HG11      VAL  34   2.747   5.957  -5.522
  257   2HG1  VAL  34          HG12      VAL  34   3.299   5.597  -7.162
  258   3HG1  VAL  34          HG13      VAL  34   3.962   4.708  -5.817
  259   1HG2  VAL  34          HG21      VAL  34   3.621   7.975  -7.377
  260   2HG2  VAL  34          HG22      VAL  34   3.481   8.367  -5.645
  261   3HG2  VAL  34          HG23      VAL  34   4.940   8.810  -6.563
  262    H    ARG  35           H        ARG  35   8.081   6.637  -4.906
  263    HA   ARG  35           HA       ARG  35   8.660   9.504  -4.601
  264   1HB   ARG  35          HB2       ARG  35  10.437   8.869  -2.911
  265   2HB   ARG  35          HB3       ARG  35   8.766   8.950  -2.394
  266   1HG   ARG  35          HG2       ARG  35   8.652   6.419  -2.489
  267   2HG   ARG  35          HG3       ARG  35  10.411   6.420  -2.800
  268   1HD   ARG  35          HD2       ARG  35  10.830   7.567  -0.711
  269   2HD   ARG  35          HD3       ARG  35   9.102   7.884  -0.466
  270    HE   ARG  35           HE       ARG  35   9.192   5.147  -0.493
  271   1HH1  ARG  35          HH21      ARG  35  10.744   7.726   1.437
  272   2HH1  ARG  35          HH22      ARG  35  10.769   6.799   2.887
  273   1HH2  ARG  35          HH11      ARG  35   9.246   3.967   1.351
  274   2HH2  ARG  35          HH12      ARG  35   9.819   4.609   2.885
  275    H    SER  36           H        SER  36  11.128   9.750  -4.910
  276    HA   SER  36           HA       SER  36  12.009   7.912  -7.048
  277   1HB   SER  36          HB2       SER  36  12.258  10.919  -7.289
  278   2HB   SER  36          HB3       SER  36  12.540   9.683  -8.517
  279    HG   SER  36           HG       SER  36  10.095  10.520  -7.357
  280    H    ALA  37           H        ALA  37  14.258   7.933  -7.515
  281    HA   ALA  37           HA       ALA  37  16.086   9.518  -5.888
  282   1HB   ALA  37          HB1       ALA  37  15.579   7.647  -4.337
  283   2HB   ALA  37          HB2       ALA  37  15.999   6.477  -5.606
  284   3HB   ALA  37          HB3       ALA  37  17.237   7.569  -4.927
  285    H    GLY  38           H        GLY  38  18.423   8.683  -6.536
  286   1HA   GLY  38          HA2       GLY  38  18.405   7.555  -9.264
  287   2HA   GLY  38          HA3       GLY  38  19.278   9.051  -9.018
  288    H    VAL  39           H        VAL  39  20.204   6.259  -9.755
  289    HA   VAL  39           HA       VAL  39  21.537   5.117  -7.484
  290    HB   VAL  39           HB       VAL  39  22.963   3.962  -9.266
  291   1HG1  VAL  39          HG11      VAL  39  21.019   2.886  -8.237
  292   2HG1  VAL  39          HG12      VAL  39  19.937   3.669  -9.415
  293   3HG1  VAL  39          HG13      VAL  39  21.137   2.480  -9.962
  294   1HG2  VAL  39          HG21      VAL  39  22.587   5.612 -11.125
  295   2HG2  VAL  39          HG22      VAL  39  22.199   3.937 -11.557
  296   3HG2  VAL  39          HG23      VAL  39  20.892   5.067 -11.202
  297    H    PHE  40           H        PHE  40  22.404   7.826  -9.538
  298    HA   PHE  40           HA       PHE  40  24.816   8.261  -7.878
  299   1HB   PHE  40          HB2       PHE  40  24.682   8.340 -10.919
  300   2HB   PHE  40          HB3       PHE  40  25.990   9.041  -9.979
  301    HD1  PHE  40           HD1      PHE  40  24.751   5.954 -11.443
  302    HD2  PHE  40           HD2      PHE  40  27.373   7.575  -8.423
  303    HE1  PHE  40           HE1      PHE  40  25.979   3.808 -11.354
  304    HE2  PHE  40           HE2      PHE  40  28.590   5.415  -8.330
  305    HZ   PHE  40           HZ       PHE  40  27.895   3.526  -9.794
  306    H    ALA  41           H        ALA  41  22.040   9.292  -7.811
  307    HA   ALA  41           HA       ALA  41  22.190  12.113  -8.605
  308   1HB   ALA  41          HB1       ALA  41  20.002  11.016  -8.477
  309   2HB   ALA  41          HB2       ALA  41  20.284  10.583  -6.770
  310   3HB   ALA  41          HB3       ALA  41  20.099  12.280  -7.254
  311    H    SER  42           H        SER  42  21.774  13.683  -6.695
  312    HA   SER  42           HA       SER  42  23.274  13.014  -4.258
  313   1HB   SER  42          HB2       SER  42  23.728  15.546  -5.893
  314   2HB   SER  42          HB3       SER  42  24.489  15.145  -4.345
  315    HG   SER  42           HG       SER  42  25.840  14.693  -6.149
  316    HA   PRO  43           HA       PRO  43  19.833  15.241  -2.446
  317   1HB   PRO  43          HB2       PRO  43  21.882  16.445  -0.594
  318   2HB   PRO  43          HB3       PRO  43  20.298  15.699  -0.201
  319   1HG   PRO  43          HG2       PRO  43  22.543  14.262   0.193
  320   2HG   PRO  43          HG3       PRO  43  21.151  13.491  -0.661
  321   1HD   PRO  43          HD2       PRO  43  23.579  14.828  -1.919
  322   2HD   PRO  43          HD3       PRO  43  22.951  13.180  -2.195
  323    H    ASN  44           H        ASN  44  18.974  17.385  -2.298
  324    HA   ASN  44           HA       ASN  44  18.542  19.426  -3.059
  325   1HB   ASN  44          HB2       ASN  44  20.243  19.937  -1.295
  326   2HB   ASN  44          HB3       ASN  44  21.457  20.061  -2.571
  327   1HD2  ASN  44          HD22      ASN  44  21.902  22.288  -2.601
  328   2HD2  ASN  44          HD21      ASN  44  20.684  23.521  -2.794
  329    H    GLY  45           H        GLY  45  19.564  17.406  -5.072
  330   1HA   GLY  45          HA2       GLY  45  19.758  19.255  -7.396
  331   2HA   GLY  45          HA3       GLY  45  19.549  17.491  -7.451
  332    H    LYS  46           H        LYS  46  17.658  19.224  -8.805
  333    HA   LYS  46           HA       LYS  46  15.229  18.376  -7.484
  334   1HB   LYS  46          HB2       LYS  46  14.209  20.618  -7.270
  335   2HB   LYS  46          HB3       LYS  46  15.563  20.383  -6.177
  336   1HG   LYS  46          HG2       LYS  46  17.022  21.703  -7.729
  337   2HG   LYS  46          HG3       LYS  46  15.621  21.960  -8.792
  338   1HD   LYS  46          HD2       LYS  46  14.416  23.048  -6.897
  339   2HD   LYS  46          HD3       LYS  46  15.839  22.848  -5.871
  340   1HE   LYS  46          HE2       LYS  46  15.734  24.446  -8.472
  341   2HE   LYS  46          HE3       LYS  46  15.581  25.134  -6.853
  342   1HZ   LYS  46          HZ1       LYS  46  17.991  23.756  -7.887
  343   2HZ   LYS  46          HZ2       LYS  46  17.823  25.358  -7.660
  344   3HZ   LYS  46          HZ3       LYS  46  17.831  24.363  -6.372
  345    H    ALA  47           H        ALA  47  13.308  19.039  -8.740
  346    HA   ALA  47           HA       ALA  47  13.380  18.011 -11.272
  347   1HB   ALA  47          HB1       ALA  47  11.439  20.150 -10.288
  348   2HB   ALA  47          HB2       ALA  47  11.149  18.980 -11.591
  349   3HB   ALA  47          HB3       ALA  47  11.345  18.409  -9.918
  350    H    THR  48           H        THR  48  13.530  18.731 -13.423
  351    HA   THR  48           HA       THR  48  15.341  20.909 -13.729
  352    HB   THR  48           HB       THR  48  15.491  20.265 -16.020
  353    HG1  THR  48           HG1      THR  48  14.015  18.741 -16.891
  354   1HG2  THR  48          HG21      THR  48  16.335  18.594 -14.303
  355   2HG2  THR  48          HG22      THR  48  14.830  17.675 -14.574
  356   3HG2  THR  48          HG23      THR  48  15.974  17.924 -15.908
  357    HA   PRO  49           HA       PRO  49  12.720  24.357 -14.751
  358   1HB   PRO  49          HB2       PRO  49  14.323  24.581 -17.304
  359   2HB   PRO  49          HB3       PRO  49  13.853  25.873 -16.154
  360   1HG   PRO  49          HG2       PRO  49  16.357  24.849 -16.093
  361   2HG   PRO  49          HG3       PRO  49  15.474  25.138 -14.556
  362   1HD   PRO  49          HD2       PRO  49  15.845  22.538 -16.054
  363   2HD   PRO  49          HD3       PRO  49  15.972  22.867 -14.298
  364    H    HIS  50           H        HIS  50  12.957  21.647 -16.995
  365    HA   HIS  50           HA       HIS  50  10.559  22.627 -18.436
  366   1HB   HIS  50          HB2       HIS  50  12.757  20.757 -19.306
  367   2HB   HIS  50          HB3       HIS  50  11.283  21.063 -20.234
  368    HD1  HIS  50           HD1      HIS  50  14.168  21.674 -21.473
  369    HD2  HIS  50           HD2      HIS  50  11.586  24.412 -19.558
  370    HE1  HIS  50           HE1      HIS  50  14.816  23.983 -22.302
  371    H    ALA  51           H        ALA  51  11.879  19.790 -16.683
  372    HA   ALA  51           HA       ALA  51   9.607  18.128 -17.120
  373   1HB   ALA  51          HB1       ALA  51  11.461  18.378 -14.691
  374   2HB   ALA  51          HB2       ALA  51  10.301  17.067 -14.944
  375   3HB   ALA  51          HB3       ALA  51  11.671  17.262 -16.048
  376    H    VAL  52           H        VAL  52  10.391  20.521 -14.614
  377    HA   VAL  52           HA       VAL  52   7.991  20.196 -13.191
  378    HB   VAL  52           HB       VAL  52  10.344  21.233 -12.649
  379   1HG1  VAL  52          HG11      VAL  52  10.242  23.149 -14.172
  380   2HG1  VAL  52          HG12      VAL  52   8.894  23.813 -13.196
  381   3HG1  VAL  52          HG13      VAL  52  10.511  23.590 -12.481
  382   1HG2  VAL  52          HG21      VAL  52   9.434  22.399 -10.681
  383   2HG2  VAL  52          HG22      VAL  52   7.805  22.264 -11.396
  384   3HG2  VAL  52          HG23      VAL  52   8.737  20.802 -10.969
  385    H    GLU  53           H        GLU  53   8.885  22.313 -15.865
  386    HA   GLU  53           HA       GLU  53   6.486  23.830 -15.765
  387   1HB   GLU  53          HB2       GLU  53   8.558  24.644 -16.828
  388   2HB   GLU  53          HB3       GLU  53   8.436  23.383 -18.051
  389   1HG   GLU  53          HG2       GLU  53   7.691  25.507 -18.958
  390   2HG   GLU  53          HG3       GLU  53   6.355  24.365 -18.907
  391    H    ALA  54           H        ALA  54   7.454  20.885 -17.525
  392    HA   ALA  54           HA       ALA  54   5.156  20.699 -19.164
  393   1HB   ALA  54          HB1       ALA  54   6.989  18.500 -18.090
  394   2HB   ALA  54          HB2       ALA  54   5.844  18.314 -19.427
  395   3HB   ALA  54          HB3       ALA  54   7.216  19.416 -19.596
  396    H    LEU  55           H        LEU  55   5.826  19.445 -15.893
  397    HA   LEU  55           HA       LEU  55   3.153  18.227 -15.762
  398   1HB   LEU  55          HB2       LEU  55   5.440  18.559 -13.847
  399   2HB   LEU  55          HB3       LEU  55   3.845  18.103 -13.236
  400    HG   LEU  55           HG       LEU  55   5.392  16.187 -13.556
  401   1HD1  LEU  55          HD11      LEU  55   3.791  14.669 -14.577
  402   2HD1  LEU  55          HD12      LEU  55   2.986  15.830 -13.522
  403   3HD1  LEU  55          HD13      LEU  55   2.905  16.032 -15.293
  404   1HD2  LEU  55          HD21      LEU  55   5.840  15.250 -15.760
  405   2HD2  LEU  55          HD22      LEU  55   5.052  16.622 -16.553
  406   3HD2  LEU  55          HD23      LEU  55   6.552  16.861 -15.630
  407    H    PHE  56           H        PHE  56   4.532  21.380 -14.884
  408    HA   PHE  56           HA       PHE  56   2.212  22.197 -13.384
  409   1HB   PHE  56          HB2       PHE  56   4.352  23.425 -13.269
  410   2HB   PHE  56          HB3       PHE  56   4.182  23.892 -14.964
  411    HD1  PHE  56           HD1      PHE  56   3.178  26.000 -15.426
  412    HD2  PHE  56           HD2      PHE  56   2.231  23.971 -11.737
  413    HE1  PHE  56           HE1      PHE  56   1.728  27.894 -14.745
  414    HE2  PHE  56           HE2      PHE  56   0.749  25.830 -11.086
  415    HZ   PHE  56           HZ       PHE  56   0.503  27.818 -12.578
  416    H    GLU  57           H        GLU  57   3.044  22.347 -16.892
  417    HA   GLU  57           HA       GLU  57   0.585  23.584 -17.628
  418   1HB   GLU  57          HB2       GLU  57   2.772  23.371 -18.927
  419   2HB   GLU  57          HB3       GLU  57   2.270  21.753 -19.381
  420   1HG   GLU  57          HG2       GLU  57   0.737  24.348 -19.914
  421   2HG   GLU  57          HG3       GLU  57   1.809  23.563 -21.068
  422    H    LYS  58           H        LYS  58   1.513  20.104 -17.240
  423    HA   LYS  58           HA       LYS  58  -1.089  19.092 -17.939
  424   1HB   LYS  58          HB2       LYS  58   1.025  17.752 -17.813
  425   2HB   LYS  58          HB3       LYS  58   0.940  17.829 -16.047
  426   1HG   LYS  58          HG2       LYS  58  -1.042  16.522 -15.964
  427   2HG   LYS  58          HG3       LYS  58  -1.392  16.750 -17.674
  428   1HD   LYS  58          HD2       LYS  58   0.997  15.183 -16.615
  429   2HD   LYS  58          HD3       LYS  58  -0.555  14.448 -16.997
  430   1HE   LYS  58          HE2       LYS  58   1.166  15.979 -18.994
  431   2HE   LYS  58          HE3       LYS  58   1.167  14.220 -18.806
  432   1HZ   LYS  58          HZ1       LYS  58  -1.142  14.158 -19.465
  433   2HZ   LYS  58          HZ2       LYS  58  -1.227  15.794 -19.584
  434   3HZ   LYS  58          HZ3       LYS  58  -0.294  14.939 -20.614
  435    H    HIS  59           H        HIS  59  -0.091  20.923 -15.247
  436    HA   HIS  59           HA       HIS  59  -1.180  21.844 -13.562
  437   1HB   HIS  59          HB2       HIS  59  -3.160  21.795 -15.203
  438   2HB   HIS  59          HB3       HIS  59  -3.796  20.492 -14.201
  439    HD1  HIS  59           HD1      HIS  59  -3.537  24.234 -14.336
  440    HD2  HIS  59           HD2      HIS  59  -4.147  21.219 -11.463
  441    HE1  HIS  59           HE1      HIS  59  -4.484  25.391 -12.277
  442    H    ILE  60           H        ILE  60   0.464  19.936 -13.074
  443    HA   ILE  60           HA       ILE  60  -0.704  18.408 -10.792
  444    HB   ILE  60           HB       ILE  60   1.504  17.686 -12.745
  445   1HG1  ILE  60          HG12      ILE  60  -1.161  16.395 -12.009
  446   2HG1  ILE  60          HG13      ILE  60  -0.807  17.253 -13.500
  447   1HG2  ILE  60          HG21      ILE  60   1.857  15.632 -11.386
  448   2HG2  ILE  60          HG22      ILE  60   2.293  17.080 -10.506
  449   3HG2  ILE  60          HG23      ILE  60   0.751  16.271 -10.155
  450   1HD1  ILE  60          HD11      ILE  60  -0.802  14.852 -13.867
  451   2HD1  ILE  60          HD12      ILE  60   0.793  15.552 -14.181
  452   3HD1  ILE  60          HD13      ILE  60   0.494  14.624 -12.686
  453    H    ALA  61           H        ALA  61   1.697  20.717 -11.900
  454    HA   ALA  61           HA       ALA  61   3.302  21.921 -10.880
  455   1HB   ALA  61          HB1       ALA  61   2.753  22.939  -8.743
  456   2HB   ALA  61          HB2       ALA  61   1.316  22.888  -9.785
  457   3HB   ALA  61          HB3       ALA  61   1.488  21.730  -8.449
  458    H    LEU  62           H        LEU  62   4.580  19.955 -11.269
  459    HA   LEU  62           HA       LEU  62   5.367  18.069  -9.291
  460   1HB   LEU  62          HB2       LEU  62   5.812  18.106 -11.785
  461   2HB   LEU  62          HB3       LEU  62   7.028  19.342 -11.520
  462    HG   LEU  62           HG       LEU  62   7.056  16.405 -10.711
  463   1HD1  LEU  62          HD11      LEU  62   8.913  18.011 -12.517
  464   2HD1  LEU  62          HD12      LEU  62   8.937  16.255 -12.249
  465   3HD1  LEU  62          HD13      LEU  62   7.574  16.998 -13.088
  466   1HD2  LEU  62          HD21      LEU  62   8.965  18.586  -9.848
  467   2HD2  LEU  62          HD22      LEU  62   8.235  17.259  -8.892
  468   3HD2  LEU  62          HD23      LEU  62   9.503  16.912 -10.046
  469    H    ASN  63           H        ASN  63   6.755  18.317  -7.529
  470    HA   ASN  63           HA       ASN  63   8.812  20.325  -7.594
  471   1HB   ASN  63          HB2       ASN  63   6.424  21.074  -6.186
  472   2HB   ASN  63          HB3       ASN  63   7.602  20.625  -4.955
  473   1HD2  ASN  63          HD22      ASN  63   7.587  22.351  -8.135
  474   2HD2  ASN  63          HD21      ASN  63   8.573  23.702  -7.603
  475    H    HIS  64           H        HIS  64  10.550  19.171  -7.001
  476    HA   HIS  64           HA       HIS  64  10.381  17.037  -4.990
  477   1HB   HIS  64          HB2       HIS  64   9.639  15.992  -7.157
  478   2HB   HIS  64          HB3       HIS  64  11.140  16.542  -7.916
  479    HD1  HIS  64           HD1      HIS  64   9.800  13.639  -5.877
  480    HD2  HIS  64           HD2      HIS  64  13.471  15.386  -7.012
  481    HE1  HIS  64           HE1      HIS  64  11.598  11.974  -5.298
  482    H    VAL  65           H        VAL  65  12.429  16.607  -4.153
  483    HA   VAL  65           HA       VAL  65  14.770  18.061  -5.260
  484    HB   VAL  65           HB       VAL  65  14.046  17.849  -2.310
  485   1HG1  VAL  65          HG11      VAL  65  16.241  19.441  -3.703
  486   2HG1  VAL  65          HG12      VAL  65  15.940  19.354  -1.956
  487   3HG1  VAL  65          HG13      VAL  65  16.498  17.915  -2.825
  488   1HG2  VAL  65          HG21      VAL  65  13.770  20.336  -2.410
  489   2HG2  VAL  65          HG22      VAL  65  13.880  20.253  -4.183
  490   3HG2  VAL  65          HG23      VAL  65  12.530  19.479  -3.323
  491    H    SER  66           H        SER  66  16.253  16.622  -5.748
  492    HA   SER  66           HA       SER  66  15.875  13.854  -5.586
  493   1HB   SER  66          HB2       SER  66  18.410  15.457  -6.129
  494   2HB   SER  66          HB3       SER  66  18.088  13.798  -6.667
  495    HG   SER  66           HG       SER  66  17.670  15.567  -8.216
  496    H    SER  67           H        SER  67  17.431  12.257  -4.826
  497    HA   SER  67           HA       SER  67  19.414  12.797  -2.822
  498   1HB   SER  67          HB2       SER  67  16.840  11.303  -2.110
  499   2HB   SER  67          HB3       SER  67  18.340  11.153  -1.182
  500    HG   SER  67           HG       SER  67  17.389  13.721  -1.753
  501    HA   PRO  68           HA       PRO  68  20.730   9.109  -5.010
  502   1HB   PRO  68          HB2       PRO  68  22.361   7.808  -3.240
  503   2HB   PRO  68          HB3       PRO  68  22.811   9.354  -4.012
  504   1HG   PRO  68          HG2       PRO  68  21.569   8.940  -1.273
  505   2HG   PRO  68          HG3       PRO  68  23.008   9.929  -1.696
  506   1HD   PRO  68          HD2       PRO  68  20.554  11.050  -1.417
  507   2HD   PRO  68          HD3       PRO  68  21.666  11.597  -2.708
  508    H    LEU  69           H        LEU  69  20.306   6.837  -5.173
  509    HA   LEU  69           HA       LEU  69  18.214   5.771  -3.365
  510   1HB   LEU  69          HB2       LEU  69  17.978   5.358  -5.784
  511   2HB   LEU  69          HB3       LEU  69  19.564   4.604  -5.844
  512    HG   LEU  69           HG       LEU  69  18.856   2.722  -4.588
  513   1HD1  LEU  69          HD11      LEU  69  17.422   3.632  -2.829
  514   2HD1  LEU  69          HD12      LEU  69  16.234   4.176  -4.033
  515   3HD1  LEU  69          HD13      LEU  69  16.494   2.445  -3.732
  516   1HD2  LEU  69          HD21      LEU  69  16.597   3.407  -6.492
  517   2HD2  LEU  69          HD22      LEU  69  18.196   2.766  -6.943
  518   3HD2  LEU  69          HD23      LEU  69  17.093   1.781  -5.973
  519    H    THR  70           H        THR  70  18.947   5.092  -1.444
  520    HA   THR  70           HA       THR  70  21.420   3.493  -1.308
  521    HB   THR  70           HB       THR  70  21.518   4.606   1.069
  522    HG1  THR  70           HG1      THR  70  20.680   6.656   1.142
  523   1HG2  THR  70          HG21      THR  70  22.970   6.372   0.147
  524   2HG2  THR  70          HG22      THR  70  23.202   4.840  -0.717
  525   3HG2  THR  70          HG23      THR  70  22.250   6.139  -1.464
  526    H    GLU  71           H        GLU  71  21.451   2.223   0.816
  527    HA   GLU  71           HA       GLU  71  19.537   0.349   0.069
  528   1HB   GLU  71          HB2       GLU  71  21.881  -0.046   0.901
  529   2HB   GLU  71          HB3       GLU  71  21.312   0.258   2.548
  530   1HG   GLU  71          HG2       GLU  71  19.757  -1.670   2.358
  531   2HG   GLU  71          HG3       GLU  71  20.262  -1.925   0.685
  532    H    GLU  72           H        GLU  72  19.541   2.544   2.848
  533    HA   GLU  72           HA       GLU  72  17.483   1.251   4.316
  534   1HB   GLU  72          HB2       GLU  72  17.243   3.397   5.497
  535   2HB   GLU  72          HB3       GLU  72  18.919   2.863   5.370
  536   1HG   GLU  72          HG2       GLU  72  19.267   4.469   3.476
  537   2HG   GLU  72          HG3       GLU  72  17.610   5.039   3.682
  538    H    LEU  73           H        LEU  73  17.360   3.611   1.659
  539    HA   LEU  73           HA       LEU  73  14.508   3.970   1.818
  540   1HB   LEU  73          HB2       LEU  73  15.915   5.667   0.745
  541   2HB   LEU  73          HB3       LEU  73  16.496   4.470  -0.424
  542    HG   LEU  73           HG       LEU  73  14.314   4.266  -1.405
  543   1HD1  LEU  73          HD11      LEU  73  12.442   5.771  -0.912
  544   2HD1  LEU  73          HD12      LEU  73  12.790   4.721   0.459
  545   3HD1  LEU  73          HD13      LEU  73  13.325   6.419   0.494
  546   1HD2  LEU  73          HD21      LEU  73  15.845   5.968  -2.284
  547   2HD2  LEU  73          HD22      LEU  73  14.145   6.426  -2.503
  548   3HD2  LEU  73          HD23      LEU  73  15.117   7.181  -1.212
  549    H    MET  74           H        MET  74  16.736   1.873   0.017
  550    HA   MET  74           HA       MET  74  14.796   0.601  -1.584
  551   1HB   MET  74          HB2       MET  74  16.634  -0.161  -2.511
  552   2HB   MET  74          HB3       MET  74  17.595   0.440  -1.190
  553   1HG   MET  74          HG2       MET  74  18.193  -1.807  -1.521
  554   2HG   MET  74          HG3       MET  74  17.345  -1.711   0.004
  555   1HE   MET  74          HE1       MET  74  15.729  -1.897  -3.687
  556   2HE   MET  74          HE2       MET  74  17.163  -2.946  -3.783
  557   3HE   MET  74          HE3       MET  74  15.528  -3.651  -3.845
  558    H    GLU  75           H        GLU  75  15.980  -0.196   1.681
  559    HA   GLU  75           HA       GLU  75  14.404  -2.587   1.987
  560   1HB   GLU  75          HB2       GLU  75  15.752  -0.703   3.962
  561   2HB   GLU  75          HB3       GLU  75  14.809  -2.106   4.476
  562   1HG   GLU  75          HG2       GLU  75  16.257  -3.592   3.109
  563   2HG   GLU  75          HG3       GLU  75  17.278  -2.222   2.694
  564    H    SER  76           H        SER  76  13.807   0.879   2.694
  565    HA   SER  76           HA       SER  76  11.356   0.481   4.097
  566   1HB   SER  76          HB2       SER  76  12.279   2.885   2.468
  567   2HB   SER  76          HB3       SER  76  10.986   2.860   3.677
  568    HG   SER  76           HG       SER  76  13.766   2.410   4.081
  569    H    ALA  77           H        ALA  77  12.037   0.880   0.571
  570    HA   ALA  77           HA       ALA  77   9.172   1.002  -0.008
  571   1HB   ALA  77          HB1       ALA  77  11.509   0.832  -1.937
  572   2HB   ALA  77          HB2       ALA  77   9.842   1.320  -2.317
  573   3HB   ALA  77          HB3       ALA  77  10.816   2.349  -1.268
  574    H    ASP  78           H        ASP  78   8.366  -0.328  -1.935
  575    HA   ASP  78           HA       ASP  78   8.932  -3.195  -1.388
  576   1HB   ASP  78          HB2       ASP  78   6.884  -2.204  -0.260
  577   2HB   ASP  78          HB3       ASP  78   6.214  -1.953  -1.878
  578    H    LEU  79           H        LEU  79   8.491  -0.730  -3.791
  579    HA   LEU  79           HA       LEU  79   9.034  -2.748  -5.868
  580   1HB   LEU  79          HB2       LEU  79   6.584  -2.003  -6.006
  581   2HB   LEU  79          HB3       LEU  79   7.157  -0.356  -6.154
  582    HG   LEU  79           HG       LEU  79   8.378  -0.993  -8.274
  583   1HD1  LEU  79          HD11      LEU  79   6.831  -3.601  -7.912
  584   2HD1  LEU  79          HD12      LEU  79   7.716  -3.110  -9.373
  585   3HD1  LEU  79          HD13      LEU  79   8.605  -3.438  -7.884
  586   1HD2  LEU  79          HD21      LEU  79   5.413  -1.615  -8.318
  587   2HD2  LEU  79          HD22      LEU  79   6.096   0.009  -8.333
  588   3HD2  LEU  79          HD23      LEU  79   6.407  -1.086  -9.685
  589    H    VAL  80           H        VAL  80  10.638  -2.039  -7.277
  590    HA   VAL  80           HA       VAL  80  11.453   0.807  -7.132
  591    HB   VAL  80           HB       VAL  80  13.316  -1.591  -7.319
  592   1HG1  VAL  80          HG11      VAL  80  14.156   0.419  -8.502
  593   2HG1  VAL  80          HG12      VAL  80  13.898   1.393  -7.038
  594   3HG1  VAL  80          HG13      VAL  80  15.109   0.094  -7.048
  595   1HG2  VAL  80          HG21      VAL  80  12.720   0.222  -4.971
  596   2HG2  VAL  80          HG22      VAL  80  12.546  -1.539  -5.047
  597   3HG2  VAL  80          HG23      VAL  80  14.157  -0.820  -5.072
  598    H    LEU  81           H        LEU  81  11.661   1.706  -9.136
  599    HA   LEU  81           HA       LEU  81  10.989  -0.023 -11.425
  600   1HB   LEU  81          HB2       LEU  81   9.213   1.637 -10.036
  601   2HB   LEU  81          HB3       LEU  81   9.645   2.592 -11.449
  602    HG   LEU  81           HG       LEU  81   8.765  -0.337 -11.572
  603   1HD1  LEU  81          HD11      LEU  81   6.951   1.135 -10.676
  604   2HD1  LEU  81          HD12      LEU  81   7.084   2.128 -12.144
  605   3HD1  LEU  81          HD13      LEU  81   6.583   0.420 -12.249
  606   1HD2  LEU  81          HD21      LEU  81   8.347   0.181 -13.952
  607   2HD2  LEU  81          HD22      LEU  81   9.058   1.794 -13.692
  608   3HD2  LEU  81          HD23      LEU  81  10.051   0.332 -13.520
  609    H    ALA  82           H        ALA  82  12.778   0.030 -12.551
  610    HA   ALA  82           HA       ALA  82  14.567   2.342 -12.438
  611   1HB   ALA  82          HB1       ALA  82  15.445   0.067 -12.032
  612   2HB   ALA  82          HB2       ALA  82  14.880  -0.438 -13.649
  613   3HB   ALA  82          HB3       ALA  82  16.154   0.785 -13.489
  614    H    MET  83           H        MET  83  14.809   3.719 -14.069
  615    HA   MET  83           HA       MET  83  13.044   3.744 -16.267
  616   1HB   MET  83          HB2       MET  83  15.514   5.309 -15.497
  617   2HB   MET  83          HB3       MET  83  14.864   5.491 -17.118
  618   1HG   MET  83          HG2       MET  83  13.897   7.208 -15.859
  619   2HG   MET  83          HG3       MET  83  12.626   6.032 -16.169
  620   1HE   MET  83          HE1       MET  83  11.625   4.395 -14.345
  621   2HE   MET  83          HE2       MET  83  11.228   5.178 -12.808
  622   3HE   MET  83          HE3       MET  83  10.754   5.959 -14.327
  623    H    THR  84           H        THR  84  16.167   2.066 -16.092
  624    HA   THR  84           HA       THR  84  15.487   0.941 -18.687
  625    HB   THR  84           HB       THR  84  17.634   1.164 -19.712
  626    HG1  THR  84           HG1      THR  84  19.326   2.208 -18.731
  627   1HG2  THR  84          HG21      THR  84  16.193   3.148 -20.100
  628   2HG2  THR  84          HG22      THR  84  16.968   3.967 -18.722
  629   3HG2  THR  84          HG23      THR  84  17.919   3.527 -20.152
  630    H    HIS  85           H        HIS  85  16.890  -1.017 -19.104
  631    HA   HIS  85           HA       HIS  85  16.977  -2.695 -16.813
  632   1HB   HIS  85          HB2       HIS  85  18.048  -4.322 -18.334
  633   2HB   HIS  85          HB3       HIS  85  16.572  -3.626 -18.994
  634    HD1  HIS  85           HD1      HIS  85  20.401  -3.496 -19.568
  635    HD2  HIS  85           HD2      HIS  85  16.739  -2.357 -21.316
  636    HE1  HIS  85           HE1      HIS  85  20.950  -2.666 -21.907
  637    H    GLN  86           H        GLN  86  19.412  -0.693 -18.435
  638    HA   GLN  86           HA       GLN  86  21.653  -1.722 -17.040
  639   1HB   GLN  86          HB2       GLN  86  21.896  -0.294 -19.026
  640   2HB   GLN  86          HB3       GLN  86  21.170   1.066 -18.167
  641   1HG   GLN  86          HG2       GLN  86  23.581   1.333 -18.284
  642   2HG   GLN  86          HG3       GLN  86  23.083   1.151 -16.612
  643   1HE2  GLN  86          HE22      GLN  86  23.535  -0.960 -15.520
  644   2HE2  GLN  86          HE21      GLN  86  24.843  -1.956 -16.125
  645    H    HIS  87           H        HIS  87  19.357   0.904 -16.195
  646    HA   HIS  87           HA       HIS  87  20.619   1.509 -13.711
  647   1HB   HIS  87          HB2       HIS  87  17.742   1.900 -14.599
  648   2HB   HIS  87          HB3       HIS  87  18.407   2.505 -13.083
  649    HD1  HIS  87           HD1      HIS  87  18.357   3.306 -16.792
  650    HD2  HIS  87           HD2      HIS  87  20.544   4.320 -13.365
  651    HE1  HIS  87           HE1      HIS  87  19.570   5.454 -17.348
  652    H    LYS  88           H        LYS  88  18.075  -0.858 -14.571
  653    HA   LYS  88           HA       LYS  88  17.637  -1.781 -11.928
  654   1HB   LYS  88          HB2       LYS  88  16.145  -2.436 -13.725
  655   2HB   LYS  88          HB3       LYS  88  17.443  -3.284 -14.568
  656   1HG   LYS  88          HG2       LYS  88  17.573  -4.991 -12.880
  657   2HG   LYS  88          HG3       LYS  88  16.547  -4.085 -11.779
  658   1HD   LYS  88          HD2       LYS  88  15.280  -5.904 -12.743
  659   2HD   LYS  88          HD3       LYS  88  14.616  -4.384 -13.353
  660   1HE   LYS  88          HE2       LYS  88  15.680  -4.672 -15.502
  661   2HE   LYS  88          HE3       LYS  88  16.680  -6.007 -14.903
  662   1HZ   LYS  88          HZ1       LYS  88  14.646  -7.329 -14.681
  663   2HZ   LYS  88          HZ2       LYS  88  13.733  -6.090 -15.266
  664   3HZ   LYS  88          HZ3       LYS  88  14.827  -6.797 -16.220
  665    H    GLN  89           H        GLN  89  20.117  -2.778 -14.272
  666    HA   GLN  89           HA       GLN  89  21.225  -4.753 -12.500
  667   1HB   GLN  89          HB2       GLN  89  22.313  -3.377 -14.995
  668   2HB   GLN  89          HB3       GLN  89  23.221  -4.605 -14.112
  669   1HG   GLN  89          HG2       GLN  89  20.468  -5.053 -15.355
  670   2HG   GLN  89          HG3       GLN  89  22.003  -5.529 -16.074
  671   1HE2  GLN  89          HE22      GLN  89  23.387  -7.108 -14.761
  672   2HE2  GLN  89          HE21      GLN  89  22.553  -8.276 -13.768
  673    H    ILE  90           H        ILE  90  21.909  -1.280 -12.932
  674    HA   ILE  90           HA       ILE  90  24.218  -1.336 -11.255
  675    HB   ILE  90           HB       ILE  90  22.252   0.921 -11.804
  676   1HG1  ILE  90          HG12      ILE  90  25.136   0.649 -12.770
  677   2HG1  ILE  90          HG13      ILE  90  23.800  -0.007 -13.689
  678   1HG2  ILE  90          HG21      ILE  90  24.942   1.023 -10.347
  679   2HG2  ILE  90          HG22      ILE  90  24.004   2.442 -10.840
  680   3HG2  ILE  90          HG23      ILE  90  23.355   1.352  -9.628
  681   1HD1  ILE  90          HD11      ILE  90  22.753   2.270 -13.794
  682   2HD1  ILE  90          HD12      ILE  90  24.193   2.933 -12.996
  683   3HD1  ILE  90          HD13      ILE  90  24.339   2.166 -14.584
  684    H    ILE  91           H        ILE  91  20.747  -0.853 -10.518
  685    HA   ILE  91           HA       ILE  91  21.011  -0.511  -7.725
  686    HB   ILE  91           HB       ILE  91  18.770  -1.754  -9.348
  687   1HG1  ILE  91          HG12      ILE  91  18.914   1.026  -8.119
  688   2HG1  ILE  91          HG13      ILE  91  19.534   0.725  -9.721
  689   1HG2  ILE  91          HG21      ILE  91  17.302  -1.258  -7.404
  690   2HG2  ILE  91          HG22      ILE  91  18.531  -2.445  -6.982
  691   3HG2  ILE  91          HG23      ILE  91  18.720  -0.752  -6.469
  692   1HD1  ILE  91          HD11      ILE  91  17.333   1.565  -9.970
  693   2HD1  ILE  91          HD12      ILE  91  17.312  -0.137 -10.441
  694   3HD1  ILE  91          HD13      ILE  91  16.655   0.350  -8.865
  695    H    ALA  92           H        ALA  92  20.601  -3.437  -9.654
  696    HA   ALA  92           HA       ALA  92  20.745  -5.272  -7.488
  697   1HB   ALA  92          HB1       ALA  92  20.680  -6.973  -9.282
  698   2HB   ALA  92          HB2       ALA  92  19.526  -5.672  -9.645
  699   3HB   ALA  92          HB3       ALA  92  21.091  -5.747 -10.487
  700    H    SER  93           H        SER  93  23.245  -3.469  -8.698
  701    HA   SER  93           HA       SER  93  25.210  -5.521  -7.822
  702   1HB   SER  93          HB2       SER  93  25.683  -3.164  -9.687
  703   2HB   SER  93          HB3       SER  93  26.832  -4.455  -9.280
  704    HG   SER  93           HG       SER  93  24.452  -4.555 -10.806
  705    H    GLN  94           H        GLN  94  24.005  -2.217  -7.320
  706    HA   GLN  94           HA       GLN  94  26.259  -1.554  -5.574
  707   1HB   GLN  94          HB2       GLN  94  25.098   0.465  -4.988
  708   2HB   GLN  94          HB3       GLN  94  25.234   0.291  -6.733
  709   1HG   GLN  94          HG2       GLN  94  22.918  -0.105  -6.984
  710   2HG   GLN  94          HG3       GLN  94  22.671  -0.455  -5.278
  711   1HE2  GLN  94          HE22      GLN  94  21.455   1.113  -4.366
  712   2HE2  GLN  94          HE21      GLN  94  21.685   2.828  -4.571
  713    H    PHE  95           H        PHE  95  22.890  -2.776  -5.192
  714    HA   PHE  95           HA       PHE  95  23.310  -2.913  -2.256
  715   1HB   PHE  95          HB2       PHE  95  20.989  -3.683  -4.052
  716   2HB   PHE  95          HB3       PHE  95  20.965  -3.731  -2.290
  717    HD1  PHE  95           HD1      PHE  95  19.251  -2.127  -4.447
  718    HD2  PHE  95           HD2      PHE  95  22.421  -1.033  -1.714
  719    HE1  PHE  95           HE1      PHE  95  18.317   0.163  -4.237
  720    HE2  PHE  95           HE2      PHE  95  21.538   1.216  -1.581
  721    HZ   PHE  95           HZ       PHE  95  19.413   1.816  -2.725
  722    H    GLY  96           H        GLY  96  24.058  -4.843  -4.914
  723   1HA   GLY  96          HA2       GLY  96  24.623  -7.164  -5.013
  724   2HA   GLY  96          HA3       GLY  96  23.816  -7.431  -3.457
  725    H    ARG  97           H        ARG  97  22.858  -9.096  -5.121
  726    HA   ARG  97           HA       ARG  97  21.136  -8.106  -7.156
  727   1HB   ARG  97          HB2       ARG  97  22.572 -10.311  -7.027
  728   2HB   ARG  97          HB3       ARG  97  21.171 -10.990  -6.223
  729   1HG   ARG  97          HG2       ARG  97  20.362 -11.445  -8.279
  730   2HG   ARG  97          HG3       ARG  97  20.038  -9.731  -8.476
  731   1HD   ARG  97          HD2       ARG  97  22.491 -11.281  -9.380
  732   2HD   ARG  97          HD3       ARG  97  21.244 -10.541 -10.398
  733    HE   ARG  97           HE       ARG  97  22.533  -8.538  -8.775
  734   1HH1  ARG  97          HH11      ARG  97  23.219 -10.606 -11.590
  735   2HH1  ARG  97          HH12      ARG  97  24.447  -9.566 -12.209
  736   1HH2  ARG  97          HH21      ARG  97  24.054  -7.146  -9.626
  737   2HH2  ARG  97          HH22      ARG  97  24.885  -7.484 -11.097
  738    H    TYR  98           H        TYR  98  20.105  -6.949  -4.960
  739    HA   TYR  98           HA       TYR  98  17.587  -8.129  -4.111
  740   1HB   TYR  98          HB2       TYR  98  18.739  -5.318  -4.099
  741   2HB   TYR  98          HB3       TYR  98  17.086  -5.636  -3.611
  742    HD1  TYR  98           HD1      TYR  98  16.493  -6.619  -1.526
  743    HD2  TYR  98           HD2      TYR  98  20.628  -6.353  -2.720
  744    HE1  TYR  98           HE1      TYR  98  17.190  -7.215   0.774
  745    HE2  TYR  98           HE2      TYR  98  21.338  -6.950  -0.430
  746    HH   TYR  98           HH       TYR  98  20.647  -7.497   1.731
  747    H    ARG  99           H        ARG  99  18.234  -8.117  -7.087
  748    HA   ARG  99           HA       ARG  99  16.633  -6.286  -8.520
  749   1HB   ARG  99          HB2       ARG  99  18.534  -7.886  -9.278
  750   2HB   ARG  99          HB3       ARG  99  17.294  -9.131  -9.381
  751   1HG   ARG  99          HG2       ARG  99  16.079  -7.789 -11.077
  752   2HG   ARG  99          HG3       ARG  99  17.202  -6.443 -10.827
  753   1HD   ARG  99          HD2       ARG  99  17.839  -7.575 -12.850
  754   2HD   ARG  99          HD3       ARG  99  19.081  -7.876 -11.625
  755    HE   ARG  99           HE       ARG  99  17.135  -9.979 -11.586
  756   1HH1  ARG  99          HH21      ARG  99  19.765  -8.743 -13.628
  757   2HH1  ARG  99          HH22      ARG  99  20.127 -10.288 -14.330
  758   1HH2  ARG  99          HH11      ARG  99  17.639 -12.034 -12.494
  759   2HH2  ARG  99          HH12      ARG  99  18.895 -12.194 -13.657
  760    H    ASP 100           H        ASP 100  15.709  -9.054  -6.628
  761    HA   ASP 100           HA       ASP 100  13.509 -10.102  -7.903
  762   1HB   ASP 100          HB2       ASP 100  14.524 -11.015  -5.874
  763   2HB   ASP 100          HB3       ASP 100  13.953  -9.633  -4.935
  764    H    LYS 101           H        LYS 101  13.627  -6.952  -6.251
  765    HA   LYS 101           HA       LYS 101  10.756  -6.618  -6.925
  766   1HB   LYS 101          HB2       LYS 101  10.425  -5.197  -5.051
  767   2HB   LYS 101          HB3       LYS 101  11.085  -6.739  -4.507
  768   1HG   LYS 101          HG2       LYS 101  13.318  -5.687  -4.229
  769   2HG   LYS 101          HG3       LYS 101  12.651  -4.137  -4.793
  770   1HD   LYS 101          HD2       LYS 101  10.992  -4.191  -2.923
  771   2HD   LYS 101          HD3       LYS 101  11.716  -5.709  -2.343
  772   1HE   LYS 101          HE2       LYS 101  13.900  -4.536  -2.076
  773   2HE   LYS 101          HE3       LYS 101  13.151  -3.033  -2.629
  774   1HZ   LYS 101          HZ1       LYS 101  13.185  -2.990  -0.305
  775   2HZ   LYS 101          HZ2       LYS 101  11.641  -3.178  -0.685
  776   3HZ   LYS 101          HZ3       LYS 101  12.489  -4.484  -0.131
  777    H    VAL 102           H        VAL 102  13.452  -5.913  -8.366
  778    HA   VAL 102           HA       VAL 102  12.752  -3.100  -8.921
  779    HB   VAL 102           HB       VAL 102  15.108  -4.616 -10.073
  780   1HG1  VAL 102          HG11      VAL 102  14.458  -2.589 -11.315
  781   2HG1  VAL 102          HG12      VAL 102  14.407  -1.644  -9.814
  782   3HG1  VAL 102          HG13      VAL 102  15.949  -2.252 -10.428
  783   1HG2  VAL 102          HG21      VAL 102  15.279  -2.746  -7.678
  784   2HG2  VAL 102          HG22      VAL 102  15.469  -4.509  -7.604
  785   3HG2  VAL 102          HG23      VAL 102  16.613  -3.546  -8.546
  786    H    PHE 103           H        PHE 103  11.821  -2.666 -10.944
  787    HA   PHE 103           HA       PHE 103  11.823  -4.775 -13.012
  788   1HB   PHE 103          HB2       PHE 103   9.391  -3.197 -12.071
  789   2HB   PHE 103          HB3       PHE 103   9.475  -4.090 -13.584
  790    HD1  PHE 103           HD1      PHE 103   9.026  -6.438 -13.676
  791    HD2  PHE 103           HD2      PHE 103   9.573  -4.498  -9.863
  792    HE1  PHE 103           HE1      PHE 103   8.181  -8.462 -12.520
  793    HE2  PHE 103           HE2      PHE 103   8.717  -6.522  -8.711
  794    HZ   PHE 103           HZ       PHE 103   8.024  -8.509 -10.036
  795    H    THR 104           H        THR 104  11.785  -3.847 -15.113
  796    HA   THR 104           HA       THR 104  12.851  -1.129 -15.231
  797    HB   THR 104           HB       THR 104  12.137  -2.772 -17.668
  798    HG1  THR 104           HG1      THR 104  13.142  -4.282 -16.372
  799   1HG2  THR 104          HG21      THR 104  14.332  -1.853 -18.429
  800   2HG2  THR 104          HG22      THR 104  13.178  -0.575 -18.014
  801   3HG2  THR 104          HG23      THR 104  14.460  -1.003 -16.862
  802    H    LEU 105           H        LEU 105  11.930   0.539 -16.547
  803    HA   LEU 105           HA       LEU 105   9.412   1.123 -15.747
  804   1HB   LEU 105          HB2       LEU 105  11.114   2.737 -16.391
  805   2HB   LEU 105          HB3       LEU 105  10.839   2.369 -18.101
  806    HG   LEU 105           HG       LEU 105   8.563   3.230 -17.948
  807   1HD1  LEU 105          HD11      LEU 105   9.156   3.762 -14.990
  808   2HD1  LEU 105          HD12      LEU 105   7.770   4.435 -15.874
  809   3HD1  LEU 105          HD13      LEU 105   7.889   2.697 -15.633
  810   1HD2  LEU 105          HD21      LEU 105  10.526   5.166 -16.675
  811   2HD2  LEU 105          HD22      LEU 105  10.428   4.786 -18.412
  812   3HD2  LEU 105          HD23      LEU 105   9.071   5.592 -17.601
  813    H    LYS 106           H        LYS 106  10.112  -0.009 -19.135
  814    HA   LYS 106           HA       LYS 106   7.222  -0.186 -19.632
  815   1HB   LYS 106          HB2       LYS 106   9.610  -1.378 -21.078
  816   2HB   LYS 106          HB3       LYS 106   7.958  -1.674 -21.575
  817   1HG   LYS 106          HG2       LYS 106   8.999   1.170 -21.291
  818   2HG   LYS 106          HG3       LYS 106   9.234   0.235 -22.772
  819   1HD   LYS 106          HD2       LYS 106   6.889   0.037 -23.180
  820   2HD   LYS 106          HD3       LYS 106   6.477   0.579 -21.562
  821   1HE   LYS 106          HE2       LYS 106   5.991   2.353 -23.115
  822   2HE   LYS 106          HE3       LYS 106   7.318   2.850 -22.062
  823   1HZ   LYS 106          HZ1       LYS 106   7.664   3.430 -24.397
  824   2HZ   LYS 106          HZ2       LYS 106   8.854   2.469 -23.845
  825   3HZ   LYS 106          HZ3       LYS 106   7.678   1.846 -24.830
  826    H    GLU 107           H        GLU 107   9.762  -2.483 -18.631
  827    HA   GLU 107           HA       GLU 107   8.441  -4.833 -18.854
  828   1HB   GLU 107          HB2       GLU 107  10.804  -4.539 -18.220
  829   2HB   GLU 107          HB3       GLU 107  10.292  -3.999 -16.619
  830   1HG   GLU 107          HG2       GLU 107   9.297  -6.257 -16.210
  831   2HG   GLU 107          HG3       GLU 107   9.927  -6.773 -17.783
  832    H    TYR 108           H        TYR 108   8.116  -2.687 -15.969
  833    HA   TYR 108           HA       TYR 108   6.538  -4.521 -14.487
  834   1HB   TYR 108          HB2       TYR 108   7.701  -2.472 -13.613
  835   2HB   TYR 108          HB3       TYR 108   6.464  -1.487 -14.372
  836    HD1  TYR 108           HD1      TYR 108   4.484  -1.005 -13.204
  837    HD2  TYR 108           HD2      TYR 108   6.908  -4.292 -11.875
  838    HE1  TYR 108           HE1      TYR 108   3.041  -1.244 -11.206
  839    HE2  TYR 108           HE2      TYR 108   5.504  -4.528  -9.857
  840    HH   TYR 108           HH       TYR 108   3.584  -3.765  -8.667
  841    H    VAL 109           H        VAL 109   5.641  -2.659 -17.269
  842    HA   VAL 109           HA       VAL 109   2.745  -2.961 -16.698
  843    HB   VAL 109           HB       VAL 109   4.166  -1.022 -18.555
  844   1HG1  VAL 109          HG11      VAL 109   2.074   0.260 -18.382
  845   2HG1  VAL 109          HG12      VAL 109   1.783  -1.342 -19.072
  846   3HG1  VAL 109          HG13      VAL 109   1.360  -1.020 -17.372
  847   1HG2  VAL 109          HG21      VAL 109   4.947  -0.456 -16.336
  848   2HG2  VAL 109          HG22      VAL 109   3.691   0.693 -16.769
  849   3HG2  VAL 109          HG23      VAL 109   3.306  -0.640 -15.658
  850    H    THR 110           H        THR 110   5.150  -3.156 -19.443
  851    HA   THR 110           HA       THR 110   3.179  -4.351 -21.211
  852    HB   THR 110           HB       THR 110   5.147  -4.498 -22.733
  853    HG1  THR 110           HG1      THR 110   7.143  -3.783 -21.972
  854   1HG2  THR 110          HG21      THR 110   5.091  -1.784 -21.325
  855   2HG2  THR 110          HG22      THR 110   5.585  -2.129 -22.997
  856   3HG2  THR 110          HG23      THR 110   3.890  -2.324 -22.523
  857    H    GLY 111           H        GLY 111   5.585  -5.435 -18.932
  858   1HA   GLY 111          HA2       GLY 111   5.988  -7.610 -18.152
  859   2HA   GLY 111          HA3       GLY 111   5.135  -8.295 -19.539
  860    H    SER 112           H        SER 112   7.319  -5.828 -20.620
  861    HA   SER 112           HA       SER 112   9.494  -7.783 -21.123
  862   1HB   SER 112          HB2       SER 112   8.105  -6.047 -23.206
  863   2HB   SER 112          HB3       SER 112   9.457  -7.155 -23.494
  864    HG   SER 112           HG       SER 112   7.429  -8.072 -24.055
  865    H    HIS 113           H        HIS 113  11.549  -6.862 -21.396
  866    HA   HIS 113           HA       HIS 113  12.140  -4.481 -20.046
  867   1HB   HIS 113          HB2       HIS 113  13.727  -5.990 -22.157
  868   2HB   HIS 113          HB3       HIS 113  14.363  -4.639 -21.226
  869    HD1  HIS 113           HD1      HIS 113  13.770  -8.359 -20.880
  870    HD2  HIS 113           HD2      HIS 113  14.656  -4.985 -18.520
  871    HE1  HIS 113           HE1      HIS 113  14.588  -9.242 -18.645
  872    H    GLY 114           H        GLY 114  12.384  -2.339 -20.630
  873   1HA   GLY 114          HA2       GLY 114  12.937  -1.236 -23.086
  874   2HA   GLY 114          HA3       GLY 114  11.169  -1.364 -23.041
  875    H    ASP 115           H        ASP 115  11.969   1.101 -23.198
  876    HA   ASP 115           HA       ASP 115  11.815   2.352 -20.549
  877   1HB   ASP 115          HB2       ASP 115  13.691   3.705 -20.910
  878   2HB   ASP 115          HB3       ASP 115  14.231   2.075 -21.284
  879    H    VAL 116           H        VAL 116  11.865   4.904 -21.137
  880    HA   VAL 116           HA       VAL 116   9.709   5.403 -23.153
  881    HB   VAL 116           HB       VAL 116  10.200   6.450 -20.339
  882   1HG1  VAL 116          HG11      VAL 116   8.256   7.914 -20.513
  883   2HG1  VAL 116          HG12      VAL 116   9.523   8.422 -21.626
  884   3HG1  VAL 116          HG13      VAL 116   8.102   7.553 -22.235
  885   1HG2  VAL 116          HG21      VAL 116   7.909   5.625 -19.921
  886   2HG2  VAL 116          HG22      VAL 116   7.782   5.093 -21.610
  887   3HG2  VAL 116          HG23      VAL 116   8.942   4.319 -20.508
  888    H    LEU 117           H        LEU 117   9.844   7.693 -24.065
  889    HA   LEU 117           HA       LEU 117  12.336   8.387 -25.099
  890   1HB   LEU 117          HB2       LEU 117  10.056   9.091 -25.855
  891   2HB   LEU 117          HB3       LEU 117   9.991  10.264 -24.544
  892    HG   LEU 117           HG       LEU 117  12.350  10.347 -26.455
  893   1HD1  LEU 117          HD11      LEU 117  11.069  11.757 -28.024
  894   2HD1  LEU 117          HD12      LEU 117  10.440  10.106 -27.961
  895   3HD1  LEU 117          HD13      LEU 117   9.578  11.410 -27.120
  896   1HD2  LEU 117          HD21      LEU 117  10.734  12.654 -25.334
  897   2HD2  LEU 117          HD22      LEU 117  12.110  11.959 -24.471
  898   3HD2  LEU 117          HD23      LEU 117  12.354  12.666 -26.069
  899    H    ASP 118           H        ASP 118  13.986   9.727 -24.443
  900    HA   ASP 118           HA       ASP 118  14.081  10.442 -21.562
  901   1HB   ASP 118          HB2       ASP 118  15.822   8.958 -22.143
  902   2HB   ASP 118          HB3       ASP 118  16.247   9.898 -23.579
  903    HA   PRO 119           HA       PRO 119  13.939  14.590 -23.365
  904   1HB   PRO 119          HB2       PRO 119  12.652  15.923 -21.425
  905   2HB   PRO 119          HB3       PRO 119  11.799  14.690 -22.377
  906   1HG   PRO 119          HG2       PRO 119  13.121  14.342 -19.654
  907   2HG   PRO 119          HG3       PRO 119  11.448  13.901 -20.119
  908   1HD   PRO 119          HD2       PRO 119  13.542  12.111 -20.163
  909   2HD   PRO 119          HD3       PRO 119  12.200  12.034 -21.344
  910    H    PHE 120           H        PHE 120  15.931  13.454 -20.801
  911    HA   PHE 120           HA       PHE 120  16.466  15.892 -19.493
  912   1HB   PHE 120          HB2       PHE 120  17.036  13.626 -18.652
  913   2HB   PHE 120          HB3       PHE 120  18.348  13.534 -19.822
  914    HD1  PHE 120           HD1      PHE 120  17.023  15.728 -17.039
  915    HD2  PHE 120           HD2      PHE 120  20.501  14.312 -19.174
  916    HE1  PHE 120           HE1      PHE 120  18.493  16.881 -15.416
  917    HE2  PHE 120           HE2      PHE 120  21.966  15.481 -17.548
  918    HZ   PHE 120           HZ       PHE 120  20.966  16.765 -15.664
  919    H    GLY 121           H        GLY 121  17.309  17.712 -20.275
  920   1HA   GLY 121          HA2       GLY 121  19.003  19.046 -21.190
  921   2HA   GLY 121          HA3       GLY 121  19.586  17.690 -22.160
  922    H    GLY 122           H        GLY 122  16.241  17.632 -22.561
  923   1HA   GLY 122          HA2       GLY 122  16.410  18.868 -25.211
  924   2HA   GLY 122          HA3       GLY 122  15.092  17.917 -24.523
  925    H    SER 123           H        SER 123  14.264  20.022 -25.869
  926    HA   SER 123           HA       SER 123  13.905  22.409 -24.230
  927   1HB   SER 123          HB2       SER 123  12.356  22.966 -26.173
  928   2HB   SER 123          HB3       SER 123  14.057  22.732 -26.592
  929    HG   SER 123           HG       SER 123  12.711  21.627 -28.038
  930    H    ILE 124           H        ILE 124  11.537  23.053 -23.879
  931    HA   ILE 124           HA       ILE 124  10.203  21.245 -22.222
  932    HB   ILE 124           HB       ILE 124   9.906  23.636 -22.095
  933   1HG1  ILE 124          HG12      ILE 124   7.496  23.874 -21.852
  934   2HG1  ILE 124          HG13      ILE 124   7.205  22.427 -22.817
  935   1HG2  ILE 124          HG21      ILE 124   8.608  24.959 -23.696
  936   2HG2  ILE 124          HG22      ILE 124  10.032  24.279 -24.476
  937   3HG2  ILE 124          HG23      ILE 124   8.432  23.554 -24.759
  938   1HD1  ILE 124          HD11      ILE 124   6.987  22.072 -20.357
  939   2HD1  ILE 124          HD12      ILE 124   8.206  21.020 -21.085
  940   3HD1  ILE 124          HD13      ILE 124   8.710  22.457 -20.164
  941    H    ASP 125           H        ASP 125   9.978  21.628 -25.720
  942    HA   ASP 125           HA       ASP 125   7.606  20.141 -26.123
  943   1HB   ASP 125          HB2       ASP 125   8.624  21.480 -27.906
  944   2HB   ASP 125          HB3       ASP 125  10.027  20.402 -27.936
  945    H    ILE 126           H        ILE 126  10.955  19.074 -25.593
  946    HA   ILE 126           HA       ILE 126  10.412  16.327 -26.371
  947    HB   ILE 126           HB       ILE 126  12.705  17.309 -24.653
  948   1HG1  ILE 126          HG12      ILE 126  12.746  18.649 -26.701
  949   2HG1  ILE 126          HG13      ILE 126  14.064  17.497 -26.685
  950   1HG2  ILE 126          HG21      ILE 126  12.357  14.856 -24.741
  951   2HG2  ILE 126          HG22      ILE 126  12.386  14.893 -26.493
  952   3HG2  ILE 126          HG23      ILE 126  13.853  15.314 -25.582
  953   1HD1  ILE 126          HD11      ILE 126  13.043  17.699 -28.920
  954   2HD1  ILE 126          HD12      ILE 126  12.873  16.048 -28.304
  955   3HD1  ILE 126          HD13      ILE 126  11.482  17.157 -28.279
  956    H    TYR 127           H        TYR 127  10.417  18.158 -23.321
  957    HA   TYR 127           HA       TYR 127   9.818  15.917 -21.637
  958   1HB   TYR 127          HB2       TYR 127   9.464  18.919 -21.355
  959   2HB   TYR 127          HB3       TYR 127   8.913  17.787 -20.130
  960    HD1  TYR 127           HD1      TYR 127  10.411  16.445 -18.861
  961    HD2  TYR 127           HD2      TYR 127  11.960  19.190 -21.755
  962    HE1  TYR 127           HE1      TYR 127  12.668  16.277 -17.793
  963    HE2  TYR 127           HE2      TYR 127  14.203  19.036 -20.740
  964    HH   TYR 127           HH       TYR 127  15.431  18.276 -18.912
  965    H    LYS 128           H        LYS 128   7.837  18.203 -23.482
  966    HA   LYS 128           HA       LYS 128   5.336  17.100 -22.642
  967   1HB   LYS 128          HB2       LYS 128   5.018  19.187 -23.350
  968   2HB   LYS 128          HB3       LYS 128   6.251  19.135 -24.575
  969   1HG   LYS 128          HG2       LYS 128   3.575  17.760 -25.024
  970   2HG   LYS 128          HG3       LYS 128   3.814  19.492 -25.266
  971   1HD   LYS 128          HD2       LYS 128   5.775  18.956 -26.770
  972   2HD   LYS 128          HD3       LYS 128   5.264  17.262 -26.747
  973   1HE   LYS 128          HE2       LYS 128   3.069  17.909 -27.698
  974   2HE   LYS 128          HE3       LYS 128   3.537  19.614 -27.621
  975   1HZ   LYS 128          HZ1       LYS 128   5.401  19.056 -29.140
  976   2HZ   LYS 128          HZ2       LYS 128   4.777  17.550 -29.335
  977   3HZ   LYS 128          HZ3       LYS 128   3.919  18.848 -29.821
  978    H    GLN 129           H        GLN 129   7.492  16.137 -25.307
  979    HA   GLN 129           HA       GLN 129   5.642  14.187 -26.321
  980   1HB   GLN 129          HB2       GLN 129   8.690  14.338 -26.445
  981   2HB   GLN 129          HB3       GLN 129   7.739  13.067 -27.212
  982   1HG   GLN 129          HG2       GLN 129   6.560  14.739 -28.600
  983   2HG   GLN 129          HG3       GLN 129   7.485  16.034 -27.850
  984   1HE2  GLN 129          HE22      GLN 129   9.032  16.777 -29.345
  985   2HE2  GLN 129          HE21      GLN 129  10.008  15.703 -30.325
  986    H    THR 130           H        THR 130   8.189  14.091 -23.852
  987    HA   THR 130           HA       THR 130   7.999  11.333 -23.275
  988    HB   THR 130           HB       THR 130   8.803  13.640 -21.440
  989    HG1  THR 130           HG1      THR 130  10.042  13.618 -23.299
  990   1HG2  THR 130          HG21      THR 130   8.473  11.568 -20.150
  991   2HG2  THR 130          HG22      THR 130   9.475  10.678 -21.316
  992   3HG2  THR 130          HG23      THR 130  10.190  11.943 -20.289
  993    H    ARG 131           H        ARG 131   6.285  14.111 -21.807
  994    HA   ARG 131           HA       ARG 131   5.119  12.525 -19.758
  995   1HB   ARG 131          HB2       ARG 131   3.883  14.383 -19.083
  996   2HB   ARG 131          HB3       ARG 131   5.343  15.078 -19.794
  997   1HG   ARG 131          HG2       ARG 131   3.996  15.304 -21.957
  998   2HG   ARG 131          HG3       ARG 131   2.561  14.878 -21.031
  999   1HD   ARG 131          HD2       ARG 131   2.947  16.877 -19.589
 1000   2HD   ARG 131          HD3       ARG 131   4.339  17.302 -20.602
 1001    HE   ARG 131           HE       ARG 131   2.403  16.991 -22.468
 1002   1HH1  ARG 131          HH11      ARG 131   2.489  19.060 -19.502
 1003   2HH1  ARG 131          HH12      ARG 131   1.262  20.111 -20.194
 1004   1HH2  ARG 131          HH21      ARG 131   0.832  18.567 -23.212
 1005   2HH2  ARG 131          HH22      ARG 131   0.441  19.894 -22.137
 1006    H    ASP 132           H        ASP 132   4.138  13.075 -23.107
 1007    HA   ASP 132           HA       ASP 132   1.463  12.106 -22.777
 1008   1HB   ASP 132          HB2       ASP 132   2.092  13.459 -24.713
 1009   2HB   ASP 132          HB3       ASP 132   3.257  12.235 -25.228
 1010    H    GLU 133           H        GLU 133   4.556  10.533 -23.644
 1011    HA   GLU 133           HA       GLU 133   3.340   7.936 -24.035
 1012   1HB   GLU 133          HB2       GLU 133   5.511   8.506 -25.064
 1013   2HB   GLU 133          HB3       GLU 133   6.231   8.752 -23.464
 1014   1HG   GLU 133          HG2       GLU 133   5.876   6.361 -22.922
 1015   2HG   GLU 133          HG3       GLU 133   5.073   6.119 -24.474
 1016    H    LEU 134           H        LEU 134   4.936   9.624 -21.393
 1017    HA   LEU 134           HA       LEU 134   5.037   7.501 -19.559
 1018   1HB   LEU 134          HB2       LEU 134   6.315   9.700 -19.534
 1019   2HB   LEU 134          HB3       LEU 134   4.827  10.480 -18.982
 1020    HG   LEU 134           HG       LEU 134   4.901   9.085 -16.917
 1021   1HD1  LEU 134          HD11      LEU 134   7.607   8.171 -18.010
 1022   2HD1  LEU 134          HD12      LEU 134   6.993   7.859 -16.372
 1023   3HD1  LEU 134          HD13      LEU 134   6.193   7.129 -17.758
 1024   1HD2  LEU 134          HD21      LEU 134   5.867  11.329 -16.917
 1025   2HD2  LEU 134          HD22      LEU 134   6.906  10.263 -15.962
 1026   3HD2  LEU 134          HD23      LEU 134   7.390  10.722 -17.599
 1027    H    GLU 135           H        GLU 135   2.486   9.945 -20.173
 1028    HA   GLU 135           HA       GLU 135   0.862   9.172 -17.980
 1029   1HB   GLU 135          HB2       GLU 135   0.554  11.279 -19.368
 1030   2HB   GLU 135          HB3       GLU 135  -0.104  10.264 -20.661
 1031   1HG   GLU 135          HG2       GLU 135  -1.827   9.429 -18.957
 1032   2HG   GLU 135          HG3       GLU 135  -1.202  10.631 -17.840
 1033    H    GLU 136           H        GLU 136   1.032   7.977 -21.347
 1034    HA   GLU 136           HA       GLU 136  -1.264   6.301 -21.056
 1035   1HB   GLU 136          HB2       GLU 136  -0.338   7.057 -23.245
 1036   2HB   GLU 136          HB3       GLU 136   1.082   6.032 -22.995
 1037   1HG   GLU 136          HG2       GLU 136  -0.352   4.018 -22.986
 1038   2HG   GLU 136          HG3       GLU 136  -1.795   5.025 -23.124
 1039    H    LEU 137           H        LEU 137   2.203   5.786 -20.556
 1040    HA   LEU 137           HA       LEU 137   2.019   3.011 -19.940
 1041   1HB   LEU 137          HB2       LEU 137   4.181   4.246 -20.446
 1042   2HB   LEU 137          HB3       LEU 137   3.995   5.107 -18.920
 1043    HG   LEU 137           HG       LEU 137   3.970   2.769 -17.773
 1044   1HD1  LEU 137          HD11      LEU 137   5.079   2.024 -20.510
 1045   2HD1  LEU 137          HD12      LEU 137   5.188   1.008 -19.055
 1046   3HD1  LEU 137          HD13      LEU 137   3.608   1.375 -19.770
 1047   1HD2  LEU 137          HD21      LEU 137   6.537   3.604 -19.126
 1048   2HD2  LEU 137          HD22      LEU 137   5.853   4.358 -17.664
 1049   3HD2  LEU 137          HD23      LEU 137   6.317   2.660 -17.621
 1050    H    LEU 138           H        LEU 138   1.866   5.938 -17.894
 1051    HA   LEU 138           HA       LEU 138   1.763   4.321 -15.523
 1052   1HB   LEU 138          HB2       LEU 138   1.734   7.256 -16.070
 1053   2HB   LEU 138          HB3       LEU 138   1.084   6.702 -14.541
 1054    HG   LEU 138           HG       LEU 138   3.102   5.601 -13.891
 1055   1HD1  LEU 138          HD11      LEU 138   4.317   6.270 -16.588
 1056   2HD1  LEU 138          HD12      LEU 138   5.205   5.658 -15.180
 1057   3HD1  LEU 138          HD13      LEU 138   3.983   4.647 -15.945
 1058   1HD2  LEU 138          HD21      LEU 138   3.811   8.297 -15.099
 1059   2HD2  LEU 138          HD22      LEU 138   2.929   8.054 -13.582
 1060   3HD2  LEU 138          HD23      LEU 138   4.600   7.497 -13.720
 1061    H    ARG 139           H        ARG 139  -0.728   5.624 -17.638
 1062    HA   ARG 139           HA       ARG 139  -2.891   5.069 -15.843
 1063   1HB   ARG 139          HB2       ARG 139  -3.079   6.470 -17.866
 1064   2HB   ARG 139          HB3       ARG 139  -2.819   5.054 -18.894
 1065   1HG   ARG 139          HG2       ARG 139  -4.895   4.043 -18.147
 1066   2HG   ARG 139          HG3       ARG 139  -5.119   5.272 -16.894
 1067   1HD   ARG 139          HD2       ARG 139  -5.076   5.874 -19.885
 1068   2HD   ARG 139          HD3       ARG 139  -6.538   5.563 -18.957
 1069    HE   ARG 139           HE       ARG 139  -6.210   7.529 -17.663
 1070   1HH1  ARG 139          HH21      ARG 139  -4.048   7.432 -20.528
 1071   2HH1  ARG 139          HH22      ARG 139  -3.741   9.156 -20.425
 1072   1HH2  ARG 139          HH11      ARG 139  -5.742   9.813 -17.693
 1073   2HH2  ARG 139          HH12      ARG 139  -4.661  10.422 -18.931
 1074    H    GLN 140           H        GLN 140  -1.126   3.083 -18.256
 1075    HA   GLN 140           HA       GLN 140  -2.619   0.702 -17.683
 1076   1HB   GLN 140          HB2       GLN 140   0.111   1.131 -18.903
 1077   2HB   GLN 140          HB3       GLN 140  -0.639  -0.462 -18.693
 1078   1HG   GLN 140          HG2       GLN 140  -2.213   1.617 -20.188
 1079   2HG   GLN 140          HG3       GLN 140  -0.779   0.955 -20.966
 1080   1HE2  GLN 140          HE22      GLN 140  -0.586  -1.561 -20.930
 1081   2HE2  GLN 140          HE21      GLN 140  -2.068  -2.431 -21.201
 1082    H    LEU 141           H        LEU 141   0.283   2.169 -16.206
 1083    HA   LEU 141           HA       LEU 141   0.927  -0.006 -14.523
 1084   1HB   LEU 141          HB2       LEU 141   2.260   2.069 -15.138
 1085   2HB   LEU 141          HB3       LEU 141   1.388   2.913 -13.857
 1086    HG   LEU 141           HG       LEU 141   2.846   0.383 -13.106
 1087   1HD1  LEU 141          HD11      LEU 141   4.914   1.669 -12.871
 1088   2HD1  LEU 141          HD12      LEU 141   4.458   1.296 -14.530
 1089   3HD1  LEU 141          HD13      LEU 141   4.213   2.946 -13.885
 1090   1HD2  LEU 141          HD21      LEU 141   3.307   1.544 -11.059
 1091   2HD2  LEU 141          HD22      LEU 141   2.693   3.071 -11.716
 1092   3HD2  LEU 141          HD23      LEU 141   1.583   1.717 -11.398
 1093    H    ALA 142           H        ALA 142  -1.347   2.707 -14.047
 1094    HA   ALA 142           HA       ALA 142  -2.040   2.010 -11.356
 1095   1HB   ALA 142          HB1       ALA 142  -4.030   3.435 -11.746
 1096   2HB   ALA 142          HB2       ALA 142  -2.551   4.224 -12.324
 1097   3HB   ALA 142          HB3       ALA 142  -3.676   3.479 -13.483
 1098    H    LYS 143           H        LYS 143  -3.378   1.129 -14.529
 1099    HA   LYS 143           HA       LYS 143  -5.435  -0.629 -13.663
 1100   1HB   LYS 143          HB2       LYS 143  -5.399   0.057 -15.928
 1101   2HB   LYS 143          HB3       LYS 143  -3.735  -0.440 -16.151
 1102   1HG   LYS 143          HG2       LYS 143  -4.436  -2.845 -15.914
 1103   2HG   LYS 143          HG3       LYS 143  -6.120  -2.297 -15.899
 1104   1HD   LYS 143          HD2       LYS 143  -4.080  -1.746 -18.123
 1105   2HD   LYS 143          HD3       LYS 143  -5.259  -3.071 -18.136
 1106   1HE   LYS 143          HE2       LYS 143  -7.126  -1.414 -18.000
 1107   2HE   LYS 143          HE3       LYS 143  -5.945  -0.097 -18.060
 1108   1HZ   LYS 143          HZ1       LYS 143  -5.253  -0.910 -20.241
 1109   2HZ   LYS 143          HZ2       LYS 143  -6.390  -2.094 -20.201
 1110   3HZ   LYS 143          HZ3       LYS 143  -6.846  -0.529 -20.240
 1111    H    GLN 144           H        GLN 144  -1.969  -1.271 -14.309
 1112    HA   GLN 144           HA       GLN 144  -1.983  -4.001 -13.608
 1113   1HB   GLN 144          HB2       GLN 144   0.211  -1.911 -13.406
 1114   2HB   GLN 144          HB3       GLN 144   0.472  -3.580 -12.959
 1115   1HG   GLN 144          HG2       GLN 144  -0.646  -2.928 -15.703
 1116   2HG   GLN 144          HG3       GLN 144   1.069  -2.738 -15.356
 1117   1HE2  GLN 144          HE22      GLN 144   2.391  -4.616 -14.995
 1118   2HE2  GLN 144          HE21      GLN 144   1.774  -6.226 -15.300
 1119    H    LEU 145           H        LEU 145  -1.247  -1.158 -11.427
 1120    HA   LEU 145           HA       LEU 145  -0.828  -2.701  -9.153
 1121   1HB   LEU 145          HB2       LEU 145  -2.131   0.052  -9.205
 1122   2HB   LEU 145          HB3       LEU 145  -1.520  -0.772  -7.778
 1123    HG   LEU 145           HG       LEU 145   0.019   0.519 -10.003
 1124   1HD1  LEU 145          HD11      LEU 145   1.092   1.691  -8.195
 1125   2HD1  LEU 145          HD12      LEU 145  -0.652   1.778  -7.940
 1126   3HD1  LEU 145          HD13      LEU 145   0.312   0.647  -6.979
 1127   1HD2  LEU 145          HD21      LEU 145   1.122  -1.537  -8.041
 1128   2HD2  LEU 145          HD22      LEU 145   1.121  -1.646  -9.806
 1129   3HD2  LEU 145          HD23      LEU 145   2.123  -0.432  -9.006
 1130    H    LYS 146           H        LYS 146  -3.912  -1.348 -10.340
 1131    HA   LYS 146           HA       LYS 146  -5.546  -2.276  -8.169
 1132   1HB   LYS 146          HB2       LYS 146  -5.948  -1.271 -10.981
 1133   2HB   LYS 146          HB3       LYS 146  -7.317  -2.066 -10.159
 1134   1HG   LYS 146          HG2       LYS 146  -6.928  -0.384  -8.256
 1135   2HG   LYS 146          HG3       LYS 146  -5.833   0.451  -9.365
 1136   1HD   LYS 146          HD2       LYS 146  -8.808  -0.072  -9.732
 1137   2HD   LYS 146          HD3       LYS 146  -8.033   1.493  -9.466
 1138   1HE   LYS 146          HE2       LYS 146  -6.909   1.335 -11.669
 1139   2HE   LYS 146          HE3       LYS 146  -7.600  -0.275 -11.922
 1140   1HZ   LYS 146          HZ1       LYS 146  -9.115   2.263 -11.765
 1141   2HZ   LYS 146          HZ2       LYS 146  -8.914   1.318 -13.078
 1142   3HZ   LYS 146          HZ3       LYS 146  -9.820   0.776 -11.837
 1143    H    LYS 147           H        LYS 147  -4.753  -3.729 -11.376
 1144    HA   LYS 147           HA       LYS 147  -6.509  -5.963 -11.078
 1145   1HB   LYS 147          HB2       LYS 147  -5.729  -5.102 -13.228
 1146   2HB   LYS 147          HB3       LYS 147  -4.053  -5.503 -12.820
 1147   1HG   LYS 147          HG2       LYS 147  -4.533  -7.886 -12.908
 1148   2HG   LYS 147          HG3       LYS 147  -6.269  -7.581 -13.036
 1149   1HD   LYS 147          HD2       LYS 147  -5.288  -8.206 -15.221
 1150   2HD   LYS 147          HD3       LYS 147  -6.029  -6.613 -15.233
 1151   1HE   LYS 147          HE2       LYS 147  -3.996  -6.473 -16.492
 1152   2HE   LYS 147          HE3       LYS 147  -3.784  -5.552 -15.007
 1153   1HZ   LYS 147          HZ1       LYS 147  -1.849  -6.839 -15.398
 1154   2HZ   LYS 147          HZ2       LYS 147  -2.579  -7.534 -14.116
 1155   3HZ   LYS 147          HZ3       LYS 147  -2.683  -8.239 -15.593
 1156    H    ASP 148           H        ASP 148  -3.020  -5.523 -10.323
 1157    HA   ASP 148           HA       ASP 148  -2.998  -8.014  -8.722
 1158   1HB   ASP 148          HB2       ASP 148  -2.331  -8.730 -10.988
 1159   2HB   ASP 148          HB3       ASP 148  -1.171  -7.398 -11.088
 1160    H    ARG 149           H        ARG 149  -1.963  -7.497  -6.844
 1161    HA   ARG 149           HA       ARG 149  -0.379  -5.047  -6.679
 1162   1HB   ARG 149          HB2       ARG 149  -1.970  -5.612  -4.920
 1163   2HB   ARG 149          HB3       ARG 149  -1.114  -7.107  -4.560
 1164   1HG   ARG 149          HG2       ARG 149  -0.799  -5.076  -3.027
 1165   2HG   ARG 149          HG3       ARG 149   0.628  -5.988  -3.468
 1166   1HD   ARG 149          HD2       ARG 149  -0.075  -3.568  -5.151
 1167   2HD   ARG 149          HD3       ARG 149   0.524  -3.300  -3.528
 1168    HE   ARG 149           HE       ARG 149   2.085  -4.313  -5.803
 1169   1HH1  ARG 149          HH11      ARG 149   1.985  -4.117  -2.207
 1170   2HH1  ARG 149          HH12      ARG 149   3.733  -4.284  -2.128
 1171   1HH2  ARG 149          HH21      ARG 149   4.258  -4.714  -5.521
 1172   2HH2  ARG 149          HH22      ARG 149   4.978  -4.574  -3.894
 1173    H    ARG 150           H        ARG 150   0.899  -6.075  -8.447
 1174    HA   ARG 150           HA       ARG 150   2.964  -7.989  -7.916
 1175   1HB   ARG 150          HB2       ARG 150   2.179  -7.126 -10.199
 1176   2HB   ARG 150          HB3       ARG 150   2.920  -5.593  -9.815
 1177   1HG   ARG 150          HG2       ARG 150   4.423  -6.852 -11.213
 1178   2HG   ARG 150          HG3       ARG 150   5.135  -6.673  -9.608
 1179   1HD   ARG 150          HD2       ARG 150   5.420  -8.950 -10.656
 1180   2HD   ARG 150          HD3       ARG 150   4.692  -8.967  -9.046
 1181    HE   ARG 150           HE       ARG 150   2.446  -9.033 -10.354
 1182   1HH1  ARG 150          HH11      ARG 150   5.363 -10.811 -11.393
 1183   2HH1  ARG 150          HH12      ARG 150   4.451 -12.041 -12.186
 1184   1HH2  ARG 150          HH21      ARG 150   1.325 -10.542 -11.309
 1185   2HH2  ARG 150          HH22      ARG 150   2.039 -11.904 -12.156