*HEADER    ELECTRON TRANSPORT                      26-MAR-05   1Z7P              
*TITLE     SOLUTION STRUCTURE OF REDUCED GLUTAREDOXIN C1 FROM POPULUS            
*TITLE    2 TREMULA X TREMULOIDES                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GLUTAREDOXIN;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: GLUTAREDOXIN C1;                                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: POPULUS TREMULA X POPULUS TREMULOIDES;          
*SOURCE   3 ORGANISM_COMMON: POPULUS;                                            
*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: PET3D                                     
*KEYWDS    ELECTRON TRANSPORT                                                    
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    Y.FENG, N.ZHONG, N.ROUHIER, J.JACQUOT, B.XIA                          
*REVDAT   1   28-MAR-06 1Z7P    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:  N C HA CB
 &rst iat=20,28,23,24, &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=32,37,35,36, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=30,39,33,34, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=43,48,46,47, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat=45,51,49,50, &end
#
#  chirality for residue 4 atoms:  CD NZ HE2 HE3
 &rst iat=51,57,55,56, &end
#
#  chirality for residue 4 atoms:  CG CE HD2 HD3
 &rst iat=48,54,52,53, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=41,61,44,45, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=65,70,68,69, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=67,73,71,72, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=63,78,66,67, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=82,87,85,86, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=84,90,88,89, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=80,93,83,84, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=97,102,100,101, &end
#
#  chirality for residue 7 atoms:  CB CD1 CD2 HG
 &rst iat=99,104,108,103, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=95,112,98,99, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=116,121,119,120, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=114,124,117,118, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=126,134,129,130, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=136,144,139,140, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=148,153,151,152, &end
#
#  chirality for residue 11 atoms:  CB CD1 CD2 HG
 &rst iat=150,155,159,154, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=146,163,149,150, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=167,172,170,171, &end
#
#  chirality for residue 12 atoms:  CB CD HG2 HG3
 &rst iat=169,175,173,174, &end
#
#  chirality for residue 12 atoms:  CD NZ HE2 HE3
 &rst iat=175,181,179,180, &end
#
#  chirality for residue 12 atoms:  CG CE HD2 HD3
 &rst iat=172,178,176,177, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=165,185,168,169, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=189,194,192,193, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=191,197,195,196, &end
#
#  chirality for residue 13 atoms:  CD NZ HE2 HE3
 &rst iat=197,203,201,202, &end
#
#  chirality for residue 13 atoms:  CG CE HD2 HD3
 &rst iat=194,200,198,199, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=187,207,190,191, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=209,217,212,213, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=221,226,224,225, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=223,229,227,228, &end
#
#  chirality for residue 15 atoms:  CD NZ HE2 HE3
 &rst iat=229,235,233,234, &end
#
#  chirality for residue 15 atoms:  CG CE HD2 HD3
 &rst iat=226,232,230,231, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=219,239,222,223, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=243,248,246,247, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=245,251,249,250, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=241,254,244,245, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=258,263,261,262, &end
#
#  chirality for residue 17 atoms:  CB CD1 CD2 HG
 &rst iat=260,265,269,264, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=256,273,259,260, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=275,283,278,279, &end
#
#  chirality for residue 19 atoms:  CA OG HB2 HB3
 &rst iat=287,292,290,291, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=285,294,288,289, &end
#
#  chirality for residue 20 atoms:  CA OG HB2 HB3
 &rst iat=298,303,301,302, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=296,305,299,300, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=307,315,310,311, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=327,321,325,326, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=324,318,322,323, &end
#
#  chirality for residue 22 atoms:  CG N HD2 HD3
 &rst iat=321,317,319,320, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=317,329,328,324, &end
#
#  chirality for residue 23 atoms:  CA CG1 CG2 HB
 &rst iat=333,337,341,336, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=331,345,334,335, &end
#
#  chirality for residue 24 atoms:  CA CG1 CG2 HB
 &rst iat=349,353,357,352, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=347,361,350,351, &end
#
#  chirality for residue 25 atoms:  CA CG1 CG2 HB
 &rst iat=365,369,373,368, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=363,377,366,367, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=381,386,384,385, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=379,397,382,383, &end
#
#  chirality for residue 27 atoms:  CA OG HB2 HB3
 &rst iat=401,406,404,405, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=399,408,402,403, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=412,417,415,416, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=414,420,418,419, &end
#
#  chirality for residue 28 atoms:  CD NZ HE2 HE3
 &rst iat=420,426,424,425, &end
#
#  chirality for residue 28 atoms:  CG CE HD2 HD3
 &rst iat=417,423,421,422, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=410,430,413,414, &end
#
#  chirality for residue 29 atoms:  CA CG2 OG1 HB
 &rst iat=434,438,442,437, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=432,444,435,436, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=448,453,451,452, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=446,465,449,450, &end
#
#  chirality for residue 31 atoms:  CA SG HB2 HB3
 &rst iat=469,474,473,472, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=467,475,470,471, &end
#
#  chirality for residue 32 atoms:  N C HA2 HA3
 &rst iat=477,482,480,481, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=486,491,489,490, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=484,503,487,488, &end
#
#  chirality for residue 34 atoms:  CA SG HB2 HB3
 &rst iat=507,512,510,511, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=505,514,508,509, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=518,523,521,522, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=516,528,519,520, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=532,537,535,536, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=534,540,538,539, &end
#
#  chirality for residue 36 atoms:  CG NE HD2 HD3
 &rst iat=537,543,541,542, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=530,552,533,534, &end
#
#  chirality for residue 37 atoms:  CA CG1 CG2 HB
 &rst iat=556,560,564,559, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=554,568,557,558, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=572,577,575,576, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=574,580,578,579, &end
#
#  chirality for residue 38 atoms:  CD NZ HE2 HE3
 &rst iat=580,586,584,585, &end
#
#  chirality for residue 38 atoms:  CG CE HD2 HD3
 &rst iat=577,583,581,582, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=570,590,573,574, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=594,599,597,598, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=596,602,600,601, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=592,607,595,596, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=611,616,614,615, &end
#
#  chirality for residue 40 atoms:  CB CD1 CD2 HG
 &rst iat=613,618,622,617, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=609,626,612,613, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=630,635,633,634, &end
#
#  chirality for residue 41 atoms:  CB CD1 CD2 HG
 &rst iat=632,637,641,636, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=628,645,631,632, &end
#
#  chirality for residue 42 atoms:  CA CG2 OG1 HB
 &rst iat=649,653,657,652, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=647,659,650,651, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=663,668,666,667, &end
#
#  chirality for residue 43 atoms:  CB CD HG2 HG3
 &rst iat=665,671,669,670, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=661,676,664,665, &end
#
#  chirality for residue 44 atoms:  CA CG1 CG2 HB
 &rst iat=680,684,688,683, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=678,692,681,682, &end
#
#  chirality for residue 45 atoms:  N C HA2 HA3
 &rst iat=694,699,697,698, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=701,709,704,705, &end
#
#  chirality for residue 47 atoms:  CA OG HB2 HB3
 &rst iat=713,718,716,717, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=711,720,714,715, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=724,729,727,728, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=722,741,725,726, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=745,750,748,749, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=747,753,751,752, &end
#
#  chirality for residue 49 atoms:  CD NZ HE2 HE3
 &rst iat=753,759,757,758, &end
#
#  chirality for residue 49 atoms:  CG CE HD2 HD3
 &rst iat=750,756,754,755, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=743,763,746,747, &end
#
#  chirality for residue 50 atoms:  CA CG1 CG2 HB
 &rst iat=767,771,775,770, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=765,779,768,769, &end
#
#  chirality for residue 51 atoms:  CA CG1 CG2 HB
 &rst iat=783,787,791,786, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=781,795,784,785, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=799,804,802,803, &end
#
#  chirality for residue 52 atoms:  CB CD HG2 HG3
 &rst iat=801,807,805,806, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=797,810,800,801, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=814,819,817,818, &end
#
#  chirality for residue 53 atoms:  CB CD1 CD2 HG
 &rst iat=816,821,825,820, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=812,829,815,816, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=833,838,836,837, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=831,841,834,835, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=845,850,848,849, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=847,853,851,852, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=843,856,846,847, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=860,865,863,864, &end
#
#  chirality for residue 56 atoms:  CB CD1 CD2 HG
 &rst iat=862,867,871,866, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=858,875,861,862, &end
#
#  chirality for residue 57 atoms:  CA OG HB2 HB3
 &rst iat=879,884,882,883, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=877,886,880,881, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=890,895,893,894, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=888,898,891,892, &end
#
#  chirality for residue 59 atoms:  N C HA2 HA3
 &rst iat=900,905,903,904, &end
#
#  chirality for residue 60 atoms:  CA OG HB2 HB3
 &rst iat=909,914,912,913, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=907,916,910,911, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=920,925,923,924, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=922,928,926,927, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=918,933,921,922, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=937,942,940,941, &end
#
#  chirality for residue 62 atoms:  CB CD1 CD2 HG
 &rst iat=939,944,948,943, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=935,952,938,939, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=956,961,959,960, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=958,964,962,963, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=954,969,957,958, &end
#
#  chirality for residue 64 atoms:  CA OG HB2 HB3
 &rst iat=973,978,976,977, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=971,980,974,975, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=982,990,985,986, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=994,999,997,998, &end
#
#  chirality for residue 66 atoms:  CB CD1 CD2 HG
 &rst iat=996,1001,1005,1000, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=992,1009,995,996, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1011,1019,1014,1015, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1023,1028,1026,1027, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1021,1036,1024,1025, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1040,1045,1043,1044, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1038,1060,1041,1042, &end
#
#  chirality for residue 70 atoms:  CA CG2 OG1 HB
 &rst iat=1064,1068,1072,1067, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1062,1074,1065,1066, &end
#
#  chirality for residue 71 atoms:  N C HA2 HA3
 &rst iat=1076,1081,1079,1080, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1085,1090,1088,1089, &end
#
#  chirality for residue 72 atoms:  CB CD HG2 HG3
 &rst iat=1087,1093,1091,1092, &end
#
#  chirality for residue 72 atoms:  CG NE HD2 HD3
 &rst iat=1090,1096,1094,1095, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1083,1105,1086,1087, &end
#
#  chirality for residue 73 atoms:  N C HA2 HA3
 &rst iat=1107,1112,1110,1111, &end
#
#  chirality for residue 74 atoms:  CA CG2 OG1 HB
 &rst iat=1116,1120,1124,1119, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1114,1126,1117,1118, &end
#
#  chirality for residue 75 atoms:  CA CG1 CG2 HB
 &rst iat=1130,1134,1138,1133, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1128,1142,1131,1132, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1154,1148,1152,1153, &end
#
#  chirality for residue 76 atoms:  CB CD HG2 HG3
 &rst iat=1151,1145,1149,1150, &end
#
#  chirality for residue 76 atoms:  CG N HD2 HD3
 &rst iat=1148,1144,1146,1147, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1144,1156,1155,1151, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1160,1165,1163,1164, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1158,1170,1161,1162, &end
#
#  chirality for residue 78 atoms:  CA CG1 CG2 HB
 &rst iat=1174,1178,1182,1177, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1172,1186,1175,1176, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1190,1195,1193,1194, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1188,1206,1191,1192, &end
#
#  chirality for residue 80 atoms:  CA CG2 CG1 HB
 &rst iat=1210,1214,1218,1213, &end
#
#  chirality for residue 80 atoms:  CB CD1 HG12 HG13
 &rst iat=1212,1221,1219,1220, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1208,1225,1211,1212, &end
#
#  chirality for residue 81 atoms:  N C HA2 HA3
 &rst iat=1227,1232,1230,1231, &end
#
#  chirality for residue 82 atoms:  N C HA2 HA3
 &rst iat=1234,1239,1237,1238, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1243,1248,1246,1247, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1245,1251,1249,1250, &end
#
#  chirality for residue 83 atoms:  CD NZ HE2 HE3
 &rst iat=1251,1257,1255,1256, &end
#
#  chirality for residue 83 atoms:  CG CE HD2 HD3
 &rst iat=1248,1254,1252,1253, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1241,1261,1244,1245, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1265,1270,1268,1269, &end
#
#  chirality for residue 84 atoms:  CB CD HG2 HG3
 &rst iat=1267,1273,1271,1272, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1263,1278,1266,1267, &end
#
#  chirality for residue 85 atoms:  CA CG2 CG1 HB
 &rst iat=1282,1286,1290,1285, &end
#
#  chirality for residue 85 atoms:  CB CD1 HG12 HG13
 &rst iat=1284,1293,1291,1292, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1280,1297,1283,1284, &end
#
#  chirality for residue 86 atoms:  N C HA2 HA3
 &rst iat=1299,1304,1302,1303, &end
#
#  chirality for residue 87 atoms:  N C HA2 HA3
 &rst iat=1306,1311,1309,1310, &end
#
#  chirality for residue 88 atoms:  CA SG HB2 HB3
 &rst iat=1315,1320,1318,1319, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1313,1322,1316,1317, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1326,1331,1329,1330, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1324,1334,1327,1328, &end
#
#  chirality for residue 90 atoms:  CA CG2 OG1 HB
 &rst iat=1338,1342,1346,1341, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1336,1348,1339,1340, &end
#
#  chirality for residue 91 atoms:  CA CG1 CG2 HB
 &rst iat=1352,1356,1360,1355, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1350,1364,1353,1354, &end
#
#  chirality for residue 92 atoms:  CA CG1 CG2 HB
 &rst iat=1368,1372,1376,1371, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1366,1380,1369,1370, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1384,1389,1387,1388, &end
#
#  chirality for residue 93 atoms:  CB CD HG2 HG3
 &rst iat=1386,1392,1390,1391, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1382,1395,1385,1386, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1399,1404,1402,1403, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1401,1407,1405,1406, &end
#
#  chirality for residue 94 atoms:  CD NZ HE2 HE3
 &rst iat=1407,1413,1411,1412, &end
#
#  chirality for residue 94 atoms:  CG CE HD2 HD3
 &rst iat=1404,1410,1408,1409, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1397,1417,1400,1401, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1421,1426,1424,1425, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1419,1434,1422,1423, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1438,1443,1441,1442, &end
#
#  chirality for residue 96 atoms:  CB CD HG2 HG3
 &rst iat=1440,1446,1444,1445, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1436,1451,1439,1440, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1455,1460,1458,1459, &end
#
#  chirality for residue 97 atoms:  CB CD HG2 HG3
 &rst iat=1457,1463,1461,1462, &end
#
#  chirality for residue 97 atoms:  CG NE HD2 HD3
 &rst iat=1460,1466,1464,1465, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1453,1475,1456,1457, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1479,1484,1482,1483, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1477,1489,1480,1481, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1493,1498,1496,1497, &end
#
#  chirality for residue 99 atoms:  CB CD HG2 HG3
 &rst iat=1495,1501,1499,1500, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1491,1504,1494,1495, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1508,1513,1511,1512, &end
#
#  chirality for residue 100 atoms:  CB CD1 CD2 HG
 &rst iat=1510,1515,1519,1514, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1506,1523,1509,1510, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1527,1532,1530,1531, &end
#
#  chirality for residue 101 atoms:  CB CD1 CD2 HG
 &rst iat=1529,1534,1538,1533, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1525,1542,1528,1529, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1554,1548,1552,1553, &end
#
#  chirality for residue 102 atoms:  CB CD HG2 HG3
 &rst iat=1551,1545,1549,1550, &end
#
#  chirality for residue 102 atoms:  CG N HD2 HD3
 &rst iat=1548,1544,1546,1547, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1544,1556,1555,1551, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1560,1565,1563,1564, &end
#
#  chirality for residue 103 atoms:  CB CD1 CD2 HG
 &rst iat=1562,1567,1571,1566, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1558,1575,1561,1562, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1579,1584,1582,1583, &end
#
#  chirality for residue 104 atoms:  CB CD1 CD2 HG
 &rst iat=1581,1586,1590,1585, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1577,1594,1580,1581, &end
#
#  chirality for residue 105 atoms:  CA CG HB2 HB3
 &rst iat=1598,1603,1601,1602, &end
#
#  chirality for residue 105 atoms:  CB CD HG2 HG3
 &rst iat=1600,1606,1604,1605, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1596,1611,1599,1600, &end
#
#  chirality for residue 106 atoms:  CA CG HB2 HB3
 &rst iat=1615,1620,1618,1619, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1613,1623,1616,1617, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1625,1633,1628,1629, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1635,1643,1638,1639, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1645,1653,1648,1649, &end
#
#  chirality for residue 110 atoms:  CA CG2 OG1 HB
 &rst iat=1657,1661,1665,1660, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1655,1667,1658,1659, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1669,1677,1672,1673, &end
#
#  chirality for residue 112 atoms:  CA CG HB2 HB3
 &rst iat=1681,1686,1684,1685, &end
#
#  chirality for residue 112 atoms:  CB CD HG2 HG3
 &rst iat=1683,1689,1687,1688, &end
#
#  chirality for residue 112 atoms:  CD NZ HE2 HE3
 &rst iat=1689,1695,1693,1694, &end
#
#  chirality for residue 112 atoms:  CG CE HD2 HD3
 &rst iat=1686,1692,1690,1691, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1679,1699,1682,1683, &end
#
#  chirality for residue 113 atoms:  CA CG HB2 HB3
 &rst iat=1703,1708,1706,1707, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1701,1713,1704,1705, &end
#
#  chirality for residue 114 atoms:  CA CG HB2 HB3
 &rst iat=1725,1719,1723,1724, &end
#
#  chirality for residue 114 atoms:  CB CD HG2 HG3
 &rst iat=1722,1716,1720,1721, &end
#
#  chirality for residue 114 atoms:  CG N HD2 HD3
 &rst iat=1719,1715,1717,1718, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1715,1727,1726,1722, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1729,1737,1732,1733, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=1741,1746,1744,1745, &end
#
#  chirality for residue 116 atoms:  CB CD HG2 HG3
 &rst iat=1743,1749,1747,1748, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1739,1754,1742,1743, &end
#
#  chirality for residue 117 atoms:  CA CG HB2 HB3
 &rst iat=1758,1763,1761,1762, &end
#
#  chirality for residue 117 atoms:  CB CD1 CD2 HG
 &rst iat=1760,1765,1769,1764, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=1756,1773,1759,1760, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=32,30,28,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=43,41,39,32, &end
#
#  trans-omega constraint for residue 5
 &rst iat=65,63,61,43, &end
#
#  trans-omega constraint for residue 6
 &rst iat=82,80,78,65, &end
#
#  trans-omega constraint for residue 7
 &rst iat=97,95,93,82, &end
#
#  trans-omega constraint for residue 8
 &rst iat=116,114,112,97, &end
#
#  trans-omega constraint for residue 9
 &rst iat=128,126,124,116, &end
#
#  trans-omega constraint for residue 10
 &rst iat=138,136,134,128, &end
#
#  trans-omega constraint for residue 11
 &rst iat=148,146,144,138, &end
#
#  trans-omega constraint for residue 12
 &rst iat=167,165,163,148, &end
#
#  trans-omega constraint for residue 13
 &rst iat=189,187,185,167, &end
#
#  trans-omega constraint for residue 14
 &rst iat=211,209,207,189, &end
#
#  trans-omega constraint for residue 15
 &rst iat=221,219,217,211, &end
#
#  trans-omega constraint for residue 16
 &rst iat=243,241,239,221, &end
#
#  trans-omega constraint for residue 17
 &rst iat=258,256,254,243, &end
#
#  trans-omega constraint for residue 18
 &rst iat=277,275,273,258, &end
#
#  trans-omega constraint for residue 19
 &rst iat=287,285,283,277, &end
#
#  trans-omega constraint for residue 20
 &rst iat=298,296,294,287, &end
#
#  trans-omega constraint for residue 21
 &rst iat=309,307,305,298, &end
#
#  trans-omega constraint for residue 22
 &rst iat=327,317,315,309, &end
#
#  trans-omega constraint for residue 23
 &rst iat=333,331,329,327, &end
#
#  trans-omega constraint for residue 24
 &rst iat=349,347,345,333, &end
#
#  trans-omega constraint for residue 25
 &rst iat=365,363,361,349, &end
#
#  trans-omega constraint for residue 26
 &rst iat=381,379,377,365, &end
#
#  trans-omega constraint for residue 27
 &rst iat=401,399,397,381, &end
#
#  trans-omega constraint for residue 28
 &rst iat=412,410,408,401, &end
#
#  trans-omega constraint for residue 29
 &rst iat=434,432,430,412, &end
#
#  trans-omega constraint for residue 30
 &rst iat=448,446,444,434, &end
#
#  trans-omega constraint for residue 31
 &rst iat=469,467,465,448, &end
#
#  trans-omega constraint for residue 32
 &rst iat=479,477,475,469, &end
#
#  trans-omega constraint for residue 33
 &rst iat=486,484,482,479, &end
#
#  trans-omega constraint for residue 34
 &rst iat=507,505,503,486, &end
#
#  trans-omega constraint for residue 35
 &rst iat=518,516,514,507, &end
#
#  trans-omega constraint for residue 36
 &rst iat=532,530,528,518, &end
#
#  trans-omega constraint for residue 37
 &rst iat=556,554,552,532, &end
#
#  trans-omega constraint for residue 38
 &rst iat=572,570,568,556, &end
#
#  trans-omega constraint for residue 39
 &rst iat=594,592,590,572, &end
#
#  trans-omega constraint for residue 40
 &rst iat=611,609,607,594, &end
#
#  trans-omega constraint for residue 41
 &rst iat=630,628,626,611, &end
#
#  trans-omega constraint for residue 42
 &rst iat=649,647,645,630, &end
#
#  trans-omega constraint for residue 43
 &rst iat=663,661,659,649, &end
#
#  trans-omega constraint for residue 44
 &rst iat=680,678,676,663, &end
#
#  trans-omega constraint for residue 45
 &rst iat=696,694,692,680, &end
#
#  trans-omega constraint for residue 46
 &rst iat=703,701,699,696, &end
#
#  trans-omega constraint for residue 47
 &rst iat=713,711,709,703, &end
#
#  trans-omega constraint for residue 48
 &rst iat=724,722,720,713, &end
#
#  trans-omega constraint for residue 49
 &rst iat=745,743,741,724, &end
#
#  trans-omega constraint for residue 50
 &rst iat=767,765,763,745, &end
#
#  trans-omega constraint for residue 51
 &rst iat=783,781,779,767, &end
#
#  trans-omega constraint for residue 52
 &rst iat=799,797,795,783, &end
#
#  trans-omega constraint for residue 53
 &rst iat=814,812,810,799, &end
#
#  trans-omega constraint for residue 54
 &rst iat=833,831,829,814, &end
#
#  trans-omega constraint for residue 55
 &rst iat=845,843,841,833, &end
#
#  trans-omega constraint for residue 56
 &rst iat=860,858,856,845, &end
#
#  trans-omega constraint for residue 57
 &rst iat=879,877,875,860, &end
#
#  trans-omega constraint for residue 58
 &rst iat=890,888,886,879, &end
#
#  trans-omega constraint for residue 59
 &rst iat=902,900,898,890, &end
#
#  trans-omega constraint for residue 60
 &rst iat=909,907,905,902, &end
#
#  trans-omega constraint for residue 61
 &rst iat=920,918,916,909, &end
#
#  trans-omega constraint for residue 62
 &rst iat=937,935,933,920, &end
#
#  trans-omega constraint for residue 63
 &rst iat=956,954,952,937, &end
#
#  trans-omega constraint for residue 64
 &rst iat=973,971,969,956, &end
#
#  trans-omega constraint for residue 65
 &rst iat=984,982,980,973, &end
#
#  trans-omega constraint for residue 66
 &rst iat=994,992,990,984, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1013,1011,1009,994, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1023,1021,1019,1013, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1040,1038,1036,1023, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1064,1062,1060,1040, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1078,1076,1074,1064, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1085,1083,1081,1078, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1109,1107,1105,1085, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1116,1114,1112,1109, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1130,1128,1126,1116, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1160,1158,1156,1154, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1174,1172,1170,1160, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1190,1188,1186,1174, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1210,1208,1206,1190, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1229,1227,1225,1210, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1236,1234,1232,1229, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1243,1241,1239,1236, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1265,1263,1261,1243, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1282,1280,1278,1265, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1301,1299,1297,1282, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1308,1306,1304,1301, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1315,1313,1311,1308, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1326,1324,1322,1315, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1338,1336,1334,1326, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1352,1350,1348,1338, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1368,1366,1364,1352, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1384,1382,1380,1368, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1399,1397,1395,1384, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1421,1419,1417,1399, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1438,1436,1434,1421, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1455,1453,1451,1438, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1479,1477,1475,1455, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1493,1491,1489,1479, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1508,1506,1504,1493, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1527,1525,1523,1508, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1554,1544,1542,1527, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1560,1558,1556,1554, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1579,1577,1575,1560, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1598,1596,1594,1579, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1615,1613,1611,1598, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1627,1625,1623,1615, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1637,1635,1633,1627, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1647,1645,1643,1637, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1657,1655,1653,1647, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1671,1669,1667,1657, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1681,1679,1677,1671, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1703,1701,1699,1681, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1725,1715,1713,1703, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1731,1729,1727,1725, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1741,1739,1737,1731, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1758,1756,1754,1741, &end
#
#  cis-omega constraint for residue 76
 &rst iat=1154,1144,1142,1130,
   r1=-30., r2=-10., r3=10., r4=30., rk2 = 150., rk3=150., &end
#
# 1775 atoms read from pdb file ../grx1_amb.pdb.
# 4 LYS PHI:  (3 SER C)-(4 LYS N)-(4 LYS CA)-(4 LYS C) -71.0 -51.0
 &rst     iat =    39,    41,    43,    61,
   r1 = -72.0, r2 = -71.0, r3 = -51.0, r4 = -50.0,
   rk2 =   50.0, rk3 =  50.0,    &end

# 5 GLN PHI:  (4 LYS C)-(5 GLN N)-(5 GLN CA)-(5 GLN C) -73.0 -57.0
 &rst     iat =    61,    63,    65,    78,
   r1 = -74.0, r2 = -73.0, r3 = -57.0, r4 = -56.0,
 &end

# 6 GLU PHI:  (5 GLN C)-(6 GLU N)-(6 GLU CA)-(6 GLU C) -79.0 -55.0
 &rst     iat =    78,    80,    82,    93,
   r1 = -80.0, r2 = -79.0, r3 = -55.0, r4 = -54.0,
 &end

# 7 LEU PHI:  (6 GLU C)-(7 LEU N)-(7 LEU CA)-(7 LEU C) -77.0 -49.0
 &rst     iat =    93,    95,    97,   112,
   r1 = -78.0, r2 = -77.0, r3 = -49.0, r4 = -48.0,
 &end

# 8 ASP PHI:  (7 LEU C)-(8 ASP N)-(8 ASP CA)-(8 ASP C) -83.0 -51.0
 &rst     iat =   112,   114,   116,   124,
   r1 = -84.0, r2 = -83.0, r3 = -51.0, r4 = -50.0,
 &end

# 9 ALA PHI:  (8 ASP C)-(9 ALA N)-(9 ALA CA)-(9 ALA C) -78.0 -58.0
 &rst     iat =   124,   126,   128,   134,
   r1 = -79.0, r2 = -78.0, r3 = -58.0, r4 = -57.0,
 &end

# 10 ALA PHI:  (9 ALA C)-(10 ALA N)-(10 ALA CA)-(10 ALA C) -81.0 -57.0
 &rst     iat =   134,   136,   138,   144,
   r1 = -82.0, r2 = -81.0, r3 = -57.0, r4 = -56.0,
 &end

# 11 LEU PHI:  (10 ALA C)-(11 LEU N)-(11 LEU CA)-(11 LEU C) -78.0 -54.0
 &rst     iat =   144,   146,   148,   163,
   r1 = -79.0, r2 = -78.0, r3 = -54.0, r4 = -53.0,
 &end

# 12 LYS PHI:  (11 LEU C)-(12 LYS N)-(12 LYS CA)-(12 LYS C) -79.0 -55.0
 &rst     iat =   163,   165,   167,   185,
   r1 = -80.0, r2 = -79.0, r3 = -55.0, r4 = -54.0,
 &end

# 13 LYS PHI:  (12 LYS C)-(13 LYS N)-(13 LYS CA)-(13 LYS C) -78.0 -58.0
 &rst     iat =   185,   187,   189,   207,
   r1 = -79.0, r2 = -78.0, r3 = -58.0, r4 = -57.0,
 &end

# 14 ALA PHI:  (13 LYS C)-(14 ALA N)-(14 ALA CA)-(14 ALA C) -77.0 -49.0
 &rst     iat =   207,   209,   211,   217,
   r1 = -78.0, r2 = -77.0, r3 = -49.0, r4 = -48.0,
 &end

# 15 LYS PHI:  (14 ALA C)-(15 LYS N)-(15 LYS CA)-(15 LYS C) -69.0 -57.0
 &rst     iat =   217,   219,   221,   239,
   r1 = -70.0, r2 = -69.0, r3 = -57.0, r4 = -56.0,
 &end

# 16 GLU PHI:  (15 LYS C)-(16 GLU N)-(16 GLU CA)-(16 GLU C) -71.0 -59.0
 &rst     iat =   239,   241,   243,   254,
   r1 = -72.0, r2 = -71.0, r3 = -59.0, r4 = -58.0,
 &end

# 17 LEU PHI:  (16 GLU C)-(17 LEU N)-(17 LEU CA)-(17 LEU C) -79.0 -55.0
 &rst     iat =   254,   256,   258,   273,
   r1 = -80.0, r2 = -79.0, r3 = -55.0, r4 = -54.0,
 &end

# 18 ALA PHI:  (17 LEU C)-(18 ALA N)-(18 ALA CA)-(18 ALA C) -76.0 -48.0
 &rst     iat =   273,   275,   277,   283,
   r1 = -77.0, r2 = -76.0, r3 = -48.0, r4 = -47.0,
 &end

# 19 SER PHI:  (18 ALA C)-(19 SER N)-(19 SER CA)-(19 SER C) -136.0 -68.0
 &rst     iat =   283,   285,   287,   294,
   r1 = -137.0, r2 = -136.0, r3 = -68.0, r4 = -67.0,
 &end

# 23 VAL PHI:  (22 PRO C)-(23 VAL N)-(23 VAL CA)-(23 VAL C) -166.0 -94.0
 &rst     iat =   329,   331,   333,   345,
   r1 = -167.0, r2 = -166.0, r3 = -94.0, r4 = -93.0,
 &end

# 24 VAL PHI:  (23 VAL C)-(24 VAL N)-(24 VAL CA)-(24 VAL C) -156.0 -92.0
 &rst     iat =   345,   347,   349,   361,
   r1 = -157.0, r2 = -156.0, r3 = -92.0, r4 = -91.0,
 &end

# 25 VAL PHI:  (24 VAL C)-(25 VAL N)-(25 VAL CA)-(25 VAL C) -143.0 -99.0
 &rst     iat =   361,   363,   365,   377,
   r1 = -144.0, r2 = -143.0, r3 = -99.0, r4 = -98.0,
 &end

# 26 PHE PHI:  (25 VAL C)-(26 PHE N)-(26 PHE CA)-(26 PHE C) -126.0 -66.0
 &rst     iat =   377,   379,   381,   397,
   r1 = -127.0, r2 = -126.0, r3 = -66.0, r4 = -65.0,
 &end

# 27 SER PHI:  (26 PHE C)-(27 SER N)-(27 SER CA)-(27 SER C) -155.0 -99.0
 &rst     iat =   397,   399,   401,   408,
   r1 = -156.0, r2 = -155.0, r3 = -99.0, r4 = -98.0,
 &end

# 28 LYS PHI:  (27 SER C)-(28 LYS N)-(28 LYS CA)-(28 LYS C) -139.0 -31.0
 &rst     iat =   408,   410,   412,   430,
   r1 = -140.0, r2 = -139.0, r3 = -31.0, r4 = -30.0,
 &end

# 29 THR PHI:  (28 LYS C)-(29 THR N)-(29 THR CA)-(29 THR C) -93.0 -33.0
 &rst     iat =   430,   432,   434,   444,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 30 TYR PHI:  (29 THR C)-(30 TYR N)-(30 TYR CA)-(30 TYR C) -180.0   0.0
 &rst     iat =   444,   446,   448,   465,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 31 CYS PHI:  (30 TYR C)-(31 CYS N)-(31 CYS CA)-(31 CYS C) -147.0 -27.0
 &rst     iat =   465,   467,   469,   475,
   r1 = -148.0, r2 = -147.0, r3 = -27.0, r4 = -26.0,
 &end

# 32 GLY PHI:  (31 CYS C)-(32 GLY N)-(32 GLY CA)-(32 GLY C) -74.0 -50.0
 &rst     iat =   475,   477,   479,   482,
   r1 = -75.0, r2 = -74.0, r3 = -50.0, r4 = -49.0,
 &end

# 33 TYR PHI:  (32 GLY C)-(33 TYR N)-(33 TYR CA)-(33 TYR C) -75.0 -55.0
 &rst     iat =   482,   484,   486,   503,
   r1 = -76.0, r2 = -75.0, r3 = -55.0, r4 = -54.0,
 &end

# 34 CYS PHI:  (33 TYR C)-(34 CYS N)-(34 CYS CA)-(34 CYS C) -78.0 -50.0
 &rst     iat =   503,   505,   507,   514,
   r1 = -79.0, r2 = -78.0, r3 = -50.0, r4 = -49.0,
 &end

# 35 ASN PHI:  (34 CYS C)-(35 ASN N)-(35 ASN CA)-(35 ASN C) -73.0 -49.0
 &rst     iat =   514,   516,   518,   528,
   r1 = -74.0, r2 = -73.0, r3 = -49.0, r4 = -48.0,
 &end

# 36 ARG PHI:  (35 ASN C)-(36 ARG N)-(36 ARG CA)-(36 ARG C) -78.0 -54.0
 &rst     iat =   528,   530,   532,   552,
   r1 = -79.0, r2 = -78.0, r3 = -54.0, r4 = -53.0,
 &end

# 37 VAL PHI:  (36 ARG C)-(37 VAL N)-(37 VAL CA)-(37 VAL C) -69.0 -57.0
 &rst     iat =   552,   554,   556,   568,
   r1 = -70.0, r2 = -69.0, r3 = -57.0, r4 = -56.0,
 &end

# 38 LYS PHI:  (37 VAL C)-(38 LYS N)-(38 LYS CA)-(38 LYS C) -70.0 -50.0
 &rst     iat =   568,   570,   572,   590,
   r1 = -71.0, r2 = -70.0, r3 = -50.0, r4 = -49.0,
 &end

# 39 GLN PHI:  (38 LYS C)-(39 GLN N)-(39 GLN CA)-(39 GLN C) -76.0 -56.0
 &rst     iat =   590,   592,   594,   607,
   r1 = -77.0, r2 = -76.0, r3 = -56.0, r4 = -55.0,
 &end

# 40 LEU PHI:  (39 GLN C)-(40 LEU N)-(40 LEU CA)-(40 LEU C) -67.0 -59.0
 &rst     iat =   607,   609,   611,   626,
   r1 = -68.0, r2 = -67.0, r3 = -59.0, r4 = -58.0,
 &end

# 41 LEU PHI:  (40 LEU C)-(41 LEU N)-(41 LEU CA)-(41 LEU C) -70.0 -54.0
 &rst     iat =   626,   628,   630,   645,
   r1 = -71.0, r2 = -70.0, r3 = -54.0, r4 = -53.0,
 &end

# 42 THR PHI:  (41 LEU C)-(42 THR N)-(42 THR CA)-(42 THR C) -75.0 -59.0
 &rst     iat =   645,   647,   649,   659,
   r1 = -76.0, r2 = -75.0, r3 = -59.0, r4 = -58.0,
 &end

# 43 GLN PHI:  (42 THR C)-(43 GLN N)-(43 GLN CA)-(43 GLN C) -86.0 -50.0
 &rst     iat =   659,   661,   663,   676,
   r1 = -87.0, r2 = -86.0, r3 = -50.0, r4 = -49.0,
 &end

# 44 VAL PHI:  (43 GLN C)-(44 VAL N)-(44 VAL CA)-(44 VAL C) -121.0 -69.0
 &rst     iat =   676,   678,   680,   692,
   r1 = -122.0, r2 = -121.0, r3 = -69.0, r4 = -68.0,
 &end

# 49 LYS PHI:  (48 TYR C)-(49 LYS N)-(49 LYS CA)-(49 LYS C) -163.0 -83.0
 &rst     iat =   741,   743,   745,   763,
   r1 = -164.0, r2 = -163.0, r3 = -83.0, r4 = -82.0,
 &end

# 50 VAL PHI:  (49 LYS C)-(50 VAL N)-(50 VAL CA)-(50 VAL C) -142.0 -74.0
 &rst     iat =   763,   765,   767,   779,
   r1 = -143.0, r2 = -142.0, r3 = -74.0, r4 = -73.0,
 &end

# 51 VAL PHI:  (50 VAL C)-(51 VAL N)-(51 VAL CA)-(51 VAL C) -149.0 -73.0
 &rst     iat =   779,   781,   783,   795,
   r1 = -150.0, r2 = -149.0, r3 = -73.0, r4 = -72.0,
 &end

# 52 GLU PHI:  (51 VAL C)-(52 GLU N)-(52 GLU CA)-(52 GLU C) -114.0 -74.0
 &rst     iat =   795,   797,   799,   810,
   r1 = -115.0, r2 = -114.0, r3 = -74.0, r4 = -73.0,
 &end

# 53 LEU PHI:  (52 GLU C)-(53 LEU N)-(53 LEU CA)-(53 LEU C) -76.0 -40.0
 &rst     iat =   810,   812,   814,   829,
   r1 = -77.0, r2 = -76.0, r3 = -40.0, r4 = -39.0,
 &end

# 54 ASP PHI:  (53 LEU C)-(54 ASP N)-(54 ASP CA)-(54 ASP C) -86.0 -58.0
 &rst     iat =   829,   831,   833,   841,
   r1 = -87.0, r2 = -86.0, r3 = -58.0, r4 = -57.0,
 &end

# 55 GLU PHI:  (54 ASP C)-(55 GLU N)-(55 GLU CA)-(55 GLU C) -180.0   0.0
 &rst     iat =   841,   843,   845,   856,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 56 LEU PHI:  (55 GLU C)-(56 LEU N)-(56 LEU CA)-(56 LEU C) -166.0 -38.0
 &rst     iat =   856,   858,   860,   875,
   r1 = -167.0, r2 = -166.0, r3 = -38.0, r4 = -37.0,
 &end

# 57 SER PHI:  (56 LEU C)-(57 SER N)-(57 SER CA)-(57 SER C) -96.0 -32.0
 &rst     iat =   875,   877,   879,   886,
   r1 = -97.0, r2 = -96.0, r3 = -32.0, r4 = -31.0,
 &end

# 58 ASP PHI:  (57 SER C)-(58 ASP N)-(58 ASP CA)-(58 ASP C) -144.0 -40.0
 &rst     iat =   886,   888,   890,   898,
   r1 = -145.0, r2 = -144.0, r3 = -40.0, r4 = -39.0,
 &end

# 59 GLY PHI:  (58 ASP C)-(59 GLY N)-(59 GLY CA)-(59 GLY C) -180.0   0.0
 &rst     iat =   898,   900,   902,   905,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 60 SER PHI:  (59 GLY C)-(60 SER N)-(60 SER CA)-(60 SER C) -87.0 -43.0
 &rst     iat =   905,   907,   909,   916,
   r1 = -88.0, r2 = -87.0, r3 = -43.0, r4 = -42.0,
 &end

# 61 GLN PHI:  (60 SER C)-(61 GLN N)-(61 GLN CA)-(61 GLN C) -75.0 -55.0
 &rst     iat =   916,   918,   920,   933,
   r1 = -76.0, r2 = -75.0, r3 = -55.0, r4 = -54.0,
 &end

# 62 LEU PHI:  (61 GLN C)-(62 LEU N)-(62 LEU CA)-(62 LEU C) -68.0 -52.0
 &rst     iat =   933,   935,   937,   952,
   r1 = -69.0, r2 = -68.0, r3 = -52.0, r4 = -51.0,
 &end

# 63 GLN PHI:  (62 LEU C)-(63 GLN N)-(63 GLN CA)-(63 GLN C) -77.0 -53.0
 &rst     iat =   952,   954,   956,   969,
   r1 = -78.0, r2 = -77.0, r3 = -53.0, r4 = -52.0,
 &end

# 64 SER PHI:  (63 GLN C)-(64 SER N)-(64 SER CA)-(64 SER C) -74.0 -58.0
 &rst     iat =   969,   971,   973,   980,
   r1 = -75.0, r2 = -74.0, r3 = -58.0, r4 = -57.0,
 &end

# 65 ALA PHI:  (64 SER C)-(65 ALA N)-(65 ALA CA)-(65 ALA C) -74.0 -62.0
 &rst     iat =   980,   982,   984,   990,
   r1 = -75.0, r2 = -74.0, r3 = -62.0, r4 = -61.0,
 &end

# 66 LEU PHI:  (65 ALA C)-(66 LEU N)-(66 LEU CA)-(66 LEU C) -73.0 -49.0
 &rst     iat =   990,   992,   994,  1009,
   r1 = -74.0, r2 = -73.0, r3 = -49.0, r4 = -48.0,
 &end

# 67 ALA PHI:  (66 LEU C)-(67 ALA N)-(67 ALA CA)-(67 ALA C) -84.0 -56.0
 &rst     iat =  1009,  1011,  1013,  1019,
   r1 = -85.0, r2 = -84.0, r3 = -56.0, r4 = -55.0,
 &end

# 68 HIS PHI:  (67 ALA C)-(68 HIS N)-(68 HIS CA)-(68 HIS C) -84.0 -52.0
 &rst     iat =  1019,  1021,  1023,  1036,
   r1 = -85.0, r2 = -84.0, r3 = -52.0, r4 = -51.0,
 &end

# 69 TRP PHI:  (68 HIS C)-(69 TRP N)-(69 TRP CA)-(69 TRP C) -103.0 -59.0
 &rst     iat =  1036,  1038,  1040,  1060,
   r1 = -104.0, r2 = -103.0, r3 = -59.0, r4 = -58.0,
 &end

# 70 THR PHI:  (69 TRP C)-(70 THR N)-(70 THR CA)-(70 THR C) -137.0 -81.0
 &rst     iat =  1060,  1062,  1064,  1074,
   r1 = -138.0, r2 = -137.0, r3 = -81.0, r4 = -80.0,
 &end

# 77 ASN PHI:  (76 PRO C)-(77 ASN N)-(77 ASN CA)-(77 ASN C) -149.0 -77.0
 &rst     iat =  1156,  1158,  1160,  1170,
   r1 = -150.0, r2 = -149.0, r3 = -77.0, r4 = -76.0,
 &end

# 78 VAL PHI:  (77 ASN C)-(78 VAL N)-(78 VAL CA)-(78 VAL C) -131.0 -95.0
 &rst     iat =  1170,  1172,  1174,  1186,
   r1 = -132.0, r2 = -131.0, r3 = -95.0, r4 = -94.0,
 &end

# 79 PHE PHI:  (78 VAL C)-(79 PHE N)-(79 PHE CA)-(79 PHE C) -154.0 -90.0
 &rst     iat =  1186,  1188,  1190,  1206,
   r1 = -155.0, r2 = -154.0, r3 = -90.0, r4 = -89.0,
 &end

# 80 ILE PHI:  (79 PHE C)-(80 ILE N)-(80 ILE CA)-(80 ILE C) -159.0 -91.0
 &rst     iat =  1206,  1208,  1210,  1225,
   r1 = -160.0, r2 = -159.0, r3 = -91.0, r4 = -90.0,
 &end

# 88 CYS PHI:  (87 GLY C)-(88 CYS N)-(88 CYS CA)-(88 CYS C) -70.0 -46.0
 &rst     iat =  1311,  1313,  1315,  1322,
   r1 = -71.0, r2 = -70.0, r3 = -46.0, r4 = -45.0,
 &end

# 89 ASP PHI:  (88 CYS C)-(89 ASP N)-(89 ASP CA)-(89 ASP C) -76.0 -48.0
 &rst     iat =  1322,  1324,  1326,  1334,
   r1 = -77.0, r2 = -76.0, r3 = -48.0, r4 = -47.0,
 &end

# 90 THR PHI:  (89 ASP C)-(90 THR N)-(90 THR CA)-(90 THR C) -79.0 -51.0
 &rst     iat =  1334,  1336,  1338,  1348,
   r1 = -80.0, r2 = -79.0, r3 = -51.0, r4 = -50.0,
 &end

# 91 VAL PHI:  (90 THR C)-(91 VAL N)-(91 VAL CA)-(91 VAL C) -71.0 -55.0
 &rst     iat =  1348,  1350,  1352,  1364,
   r1 = -72.0, r2 = -71.0, r3 = -55.0, r4 = -54.0,
 &end

# 92 VAL PHI:  (91 VAL C)-(92 VAL N)-(92 VAL CA)-(92 VAL C) -75.0 -51.0
 &rst     iat =  1364,  1366,  1368,  1380,
   r1 = -76.0, r2 = -75.0, r3 = -51.0, r4 = -50.0,
 &end

# 93 GLU PHI:  (92 VAL C)-(93 GLU N)-(93 GLU CA)-(93 GLU C) -72.0 -56.0
 &rst     iat =  1380,  1382,  1384,  1395,
   r1 = -73.0, r2 = -72.0, r3 = -56.0, r4 = -55.0,
 &end

# 94 LYS PHI:  (93 GLU C)-(94 LYS N)-(94 LYS CA)-(94 LYS C) -72.0 -52.0
 &rst     iat =  1395,  1397,  1399,  1417,
   r1 = -73.0, r2 = -72.0, r3 = -52.0, r4 = -51.0,
 &end

# 95 HIS PHI:  (94 LYS C)-(95 HIS N)-(95 HIS CA)-(95 HIS C) -80.0 -56.0
 &rst     iat =  1417,  1419,  1421,  1434,
   r1 = -81.0, r2 = -80.0, r3 = -56.0, r4 = -55.0,
 &end

# 96 GLN PHI:  (95 HIS C)-(96 GLN N)-(96 GLN CA)-(96 GLN C) -78.0 -54.0
 &rst     iat =  1434,  1436,  1438,  1451,
   r1 = -79.0, r2 = -78.0, r3 = -54.0, r4 = -53.0,
 &end

# 97 ARG PHI:  (96 GLN C)-(97 ARG N)-(97 ARG CA)-(97 ARG C) -123.0 -63.0
 &rst     iat =  1451,  1453,  1455,  1475,
   r1 = -124.0, r2 = -123.0, r3 = -63.0, r4 = -62.0,
 &end

# 101 LEU PHI:  (100 LEU C)-(101 LEU N)-(101 LEU CA)-(101 LEU C) -75.0 -31.0
 &rst     iat =  1523,  1525,  1527,  1542,
   r1 = -76.0, r2 = -75.0, r3 = -31.0, r4 = -30.0,
 &end

# 103 LEU PHI:  (102 PRO C)-(103 LEU N)-(103 LEU CA)-(103 LEU C) -81.0 -49.0
 &rst     iat =  1556,  1558,  1560,  1575,
   r1 = -82.0, r2 = -81.0, r3 = -49.0, r4 = -48.0,
 &end

# 104 LEU PHI:  (103 LEU C)-(104 LEU N)-(104 LEU CA)-(104 LEU C) -76.0 -56.0
 &rst     iat =  1575,  1577,  1579,  1594,
   r1 = -77.0, r2 = -76.0, r3 = -56.0, r4 = -55.0,
 &end

# 105 GLN PHI:  (104 LEU C)-(105 GLN N)-(105 GLN CA)-(105 GLN C) -75.0 -51.0
 &rst     iat =  1594,  1596,  1598,  1611,
   r1 = -76.0, r2 = -75.0, r3 = -51.0, r4 = -50.0,
 &end

# 106 ASP PHI:  (105 GLN C)-(106 ASP N)-(106 ASP CA)-(106 ASP C) -81.0 -53.0
 &rst     iat =  1611,  1613,  1615,  1623,
   r1 = -82.0, r2 = -81.0, r3 = -53.0, r4 = -52.0,
 &end

# 4 LYS PSI:  (4 LYS N)-(4 LYS CA)-(4 LYS C)-(5 GLN N) -51.0 -11.0
 &rst     iat =    41,    43,    61,    63,
   r1 = -52.0, r2 = -51.0, r3 = -11.0, r4 = -10.0,
 &end

# 5 GLN PSI:  (5 GLN N)-(5 GLN CA)-(5 GLN C)-(6 GLU N) -50.0 -30.0
 &rst     iat =    63,    65,    78,    80,
   r1 = -51.0, r2 = -50.0, r3 = -30.0, r4 = -29.0,
 &end

# 6 GLU PSI:  (6 GLU N)-(6 GLU CA)-(6 GLU C)-(7 LEU N) -54.0 -30.0
 &rst     iat =    80,    82,    93,    95,
   r1 = -55.0, r2 = -54.0, r3 = -30.0, r4 = -29.0,
 &end

# 7 LEU PSI:  (7 LEU N)-(7 LEU CA)-(7 LEU C)-(8 ASP N) -49.0 -33.0
 &rst     iat =    95,    97,   112,   114,
   r1 = -50.0, r2 = -49.0, r3 = -33.0, r4 = -32.0,
 &end

# 8 ASP PSI:  (8 ASP N)-(8 ASP CA)-(8 ASP C)-(9 ALA N) -48.0 -28.0
 &rst     iat =   114,   116,   124,   126,
   r1 = -49.0, r2 = -48.0, r3 = -28.0, r4 = -27.0,
 &end

# 9 ALA PSI:  (9 ALA N)-(9 ALA CA)-(9 ALA C)-(10 ALA N) -62.0 -14.0
 &rst     iat =   126,   128,   134,   136,
   r1 = -63.0, r2 = -62.0, r3 = -14.0, r4 = -13.0,
 &end

# 10 ALA PSI:  (10 ALA N)-(10 ALA CA)-(10 ALA C)-(11 LEU N) -57.0 -17.0
 &rst     iat =   136,   138,   144,   146,
   r1 = -58.0, r2 = -57.0, r3 = -17.0, r4 = -16.0,
 &end

# 11 LEU PSI:  (11 LEU N)-(11 LEU CA)-(11 LEU C)-(12 LYS N) -55.0 -31.0
 &rst     iat =   146,   148,   163,   165,
   r1 = -56.0, r2 = -55.0, r3 = -31.0, r4 = -30.0,
 &end

# 12 LYS PSI:  (12 LYS N)-(12 LYS CA)-(12 LYS C)-(13 LYS N) -49.0 -29.0
 &rst     iat =   165,   167,   185,   187,
   r1 = -50.0, r2 = -49.0, r3 = -29.0, r4 = -28.0,
 &end

# 13 LYS PSI:  (13 LYS N)-(13 LYS CA)-(13 LYS C)-(14 ALA N) -59.0 -11.0
 &rst     iat =   187,   189,   207,   209,
   r1 = -60.0, r2 = -59.0, r3 = -11.0, r4 = -10.0,
 &end

# 14 ALA PSI:  (14 ALA N)-(14 ALA CA)-(14 ALA C)-(15 LYS N) -50.0 -30.0
 &rst     iat =   209,   211,   217,   219,
   r1 = -51.0, r2 = -50.0, r3 = -30.0, r4 = -29.0,
 &end

# 15 LYS PSI:  (15 LYS N)-(15 LYS CA)-(15 LYS C)-(16 GLU N) -54.0 -30.0
 &rst     iat =   219,   221,   239,   241,
   r1 = -55.0, r2 = -54.0, r3 = -30.0, r4 = -29.0,
 &end

# 16 GLU PSI:  (16 GLU N)-(16 GLU CA)-(16 GLU C)-(17 LEU N) -56.0 -32.0
 &rst     iat =   241,   243,   254,   256,
   r1 = -57.0, r2 = -56.0, r3 = -32.0, r4 = -31.0,
 &end

# 17 LEU PSI:  (17 LEU N)-(17 LEU CA)-(17 LEU C)-(18 ALA N) -56.0 -12.0
 &rst     iat =   256,   258,   273,   275,
   r1 = -57.0, r2 = -56.0, r3 = -12.0, r4 = -11.0,
 &end

# 18 ALA PSI:  (18 ALA N)-(18 ALA CA)-(18 ALA C)-(19 SER N) -51.0 -15.0
 &rst     iat =   275,   277,   283,   285,
   r1 = -52.0, r2 = -51.0, r3 = -15.0, r4 = -14.0,
 &end

# 19 SER PSI:  (19 SER N)-(19 SER CA)-(19 SER C)-(20 SER N) -56.0  48.0
 &rst     iat =   285,   287,   294,   296,
   r1 = -57.0, r2 = -56.0, r3 =  48.0, r4 =  49.0,
 &end

# 23 VAL PSI:  (23 VAL N)-(23 VAL CA)-(23 VAL C)-(24 VAL N) 127.0 171.0
 &rst     iat =   331,   333,   345,   347,
   r1 = 126.0, r2 = 127.0, r3 = 171.0, r4 = 172.0,
 &end

# 24 VAL PSI:  (24 VAL N)-(24 VAL CA)-(24 VAL C)-(25 VAL N) 107.0 155.0
 &rst     iat =   347,   349,   361,   363,
   r1 = 106.0, r2 = 107.0, r3 = 155.0, r4 = 156.0,
 &end

# 25 VAL PSI:  (25 VAL N)-(25 VAL CA)-(25 VAL C)-(26 PHE N)  90.0 170.0
 &rst     iat =   363,   365,   377,   379,
   r1 =  89.0, r2 =  90.0, r3 = 170.0, r4 = 171.0,
 &end

# 26 PHE PSI:  (26 PHE N)-(26 PHE CA)-(26 PHE C)-(27 SER N) 112.0 144.0
 &rst     iat =   379,   381,   397,   399,
   r1 = 111.0, r2 = 112.0, r3 = 144.0, r4 = 145.0,
 &end

# 27 SER PSI:  (27 SER N)-(27 SER CA)-(27 SER C)-(28 LYS N)  83.0 199.0
 &rst     iat =   399,   401,   408,   410,
   r1 =  82.0, r2 =  83.0, r3 = 199.0, r4 = 200.0,
 &end

# 28 LYS PSI:  (28 LYS N)-(28 LYS CA)-(28 LYS C)-(29 THR N)  86.0 218.0
 &rst     iat =   410,   412,   430,   432,
   r1 =  85.0, r2 =  86.0, r3 = 218.0, r4 = 219.0,
 &end

# 29 THR PSI:  (29 THR N)-(29 THR CA)-(29 THR C)-(30 TYR N) -45.0  -1.0
 &rst     iat =   432,   434,   444,   446,
   r1 = -46.0, r2 = -45.0, r3 =  -1.0, r4 =   0.0,
 &end

# 30 TYR PSI:  (30 TYR N)-(30 TYR CA)-(30 TYR C)-(31 CYS N) -120.0  60.0
 &rst     iat =   446,   448,   465,   467,
   r1 = -121.0, r2 = -120.0, r3 =  60.0, r4 =  61.0,
 &end

# 31 CYS PSI:  (31 CYS N)-(31 CYS CA)-(31 CYS C)-(32 GLY N)  69.0 189.0
 &rst     iat =   467,   469,   475,   477,
   r1 =  68.0, r2 =  69.0, r3 = 189.0, r4 = 190.0,
 &end

# 32 GLY PSI:  (32 GLY N)-(32 GLY CA)-(32 GLY C)-(33 TYR N) -56.0 -16.0
 &rst     iat =   477,   479,   482,   484,
   r1 = -57.0, r2 = -56.0, r3 = -16.0, r4 = -15.0,
 &end

# 33 TYR PSI:  (33 TYR N)-(33 TYR CA)-(33 TYR C)-(34 CYS N) -58.0  -6.0
 &rst     iat =   484,   486,   503,   505,
   r1 = -59.0, r2 = -58.0, r3 =  -6.0, r4 =  -5.0,
 &end

# 34 CYS PSI:  (34 CYS N)-(34 CYS CA)-(34 CYS C)-(35 ASN N) -61.0 -29.0
 &rst     iat =   505,   507,   514,   516,
   r1 = -62.0, r2 = -61.0, r3 = -29.0, r4 = -28.0,
 &end

# 35 ASN PSI:  (35 ASN N)-(35 ASN CA)-(35 ASN C)-(36 ARG N) -53.0 -29.0
 &rst     iat =   516,   518,   528,   530,
   r1 = -54.0, r2 = -53.0, r3 = -29.0, r4 = -28.0,
 &end

# 36 ARG PSI:  (36 ARG N)-(36 ARG CA)-(36 ARG C)-(37 VAL N) -57.0 -21.0
 &rst     iat =   530,   532,   552,   554,
   r1 = -58.0, r2 = -57.0, r3 = -21.0, r4 = -20.0,
 &end

# 37 VAL PSI:  (37 VAL N)-(37 VAL CA)-(37 VAL C)-(38 LYS N) -54.0 -30.0
 &rst     iat =   554,   556,   568,   570,
   r1 = -55.0, r2 = -54.0, r3 = -30.0, r4 = -29.0,
 &end

# 38 LYS PSI:  (38 LYS N)-(38 LYS CA)-(38 LYS C)-(39 GLN N) -52.0 -32.0
 &rst     iat =   570,   572,   590,   592,
   r1 = -53.0, r2 = -52.0, r3 = -32.0, r4 = -31.0,
 &end

# 39 GLN PSI:  (39 GLN N)-(39 GLN CA)-(39 GLN C)-(40 LEU N) -51.0 -23.0
 &rst     iat =   592,   594,   607,   609,
   r1 = -52.0, r2 = -51.0, r3 = -23.0, r4 = -22.0,
 &end

# 40 LEU PSI:  (40 LEU N)-(40 LEU CA)-(40 LEU C)-(41 LEU N) -54.0 -34.0
 &rst     iat =   609,   611,   626,   628,
   r1 = -55.0, r2 = -54.0, r3 = -34.0, r4 = -33.0,
 &end

# 41 LEU PSI:  (41 LEU N)-(41 LEU CA)-(41 LEU C)-(42 THR N) -54.0 -30.0
 &rst     iat =   628,   630,   645,   647,
   r1 = -55.0, r2 = -54.0, r3 = -30.0, r4 = -29.0,
 &end

# 42 THR PSI:  (42 THR N)-(42 THR CA)-(42 THR C)-(43 GLN N) -49.0 -33.0
 &rst     iat =   647,   649,   659,   661,
   r1 = -50.0, r2 = -49.0, r3 = -33.0, r4 = -32.0,
 &end

# 43 GLN PSI:  (43 GLN N)-(43 GLN CA)-(43 GLN C)-(44 VAL N) -53.0  -9.0
 &rst     iat =   661,   663,   676,   678,
   r1 = -54.0, r2 = -53.0, r3 =  -9.0, r4 =  -8.0,
 &end

# 44 VAL PSI:  (44 VAL N)-(44 VAL CA)-(44 VAL C)-(45 GLY N) -29.0  31.0
 &rst     iat =   678,   680,   692,   694,
   r1 = -30.0, r2 = -29.0, r3 =  31.0, r4 =  32.0,
 &end

# 49 LYS PSI:  (49 LYS N)-(49 LYS CA)-(49 LYS C)-(50 VAL N) 112.0 156.0
 &rst     iat =   743,   745,   763,   765,
   r1 = 111.0, r2 = 112.0, r3 = 156.0, r4 = 157.0,
 &end

# 50 VAL PSI:  (50 VAL N)-(50 VAL CA)-(50 VAL C)-(51 VAL N) 102.0 158.0
 &rst     iat =   765,   767,   779,   781,
   r1 = 101.0, r2 = 102.0, r3 = 158.0, r4 = 159.0,
 &end

# 51 VAL PSI:  (51 VAL N)-(51 VAL CA)-(51 VAL C)-(52 GLU N)  79.0 175.0
 &rst     iat =   781,   783,   795,   797,
   r1 =  78.0, r2 =  79.0, r3 = 175.0, r4 = 176.0,
 &end

# 52 GLU PSI:  (52 GLU N)-(52 GLU CA)-(52 GLU C)-(53 LEU N)  71.0 159.0
 &rst     iat =   797,   799,   810,   812,
   r1 =  70.0, r2 =  71.0, r3 = 159.0, r4 = 160.0,
 &end

# 53 LEU PSI:  (53 LEU N)-(53 LEU CA)-(53 LEU C)-(54 ASP N) -55.0   1.0
 &rst     iat =   812,   814,   829,   831,
   r1 = -56.0, r2 = -55.0, r3 =   1.0, r4 =   2.0,
 &end

# 54 ASP PSI:  (54 ASP N)-(54 ASP CA)-(54 ASP C)-(55 GLU N) -36.0  16.0
 &rst     iat =   831,   833,   841,   843,
   r1 = -37.0, r2 = -36.0, r3 =  16.0, r4 =  17.0,
 &end

# 55 GLU PSI:  (55 GLU N)-(55 GLU CA)-(55 GLU C)-(56 LEU N) -120.0  60.0
 &rst     iat =   843,   845,   856,   858,
   r1 = -121.0, r2 = -120.0, r3 =  60.0, r4 =  61.0,
 &end

# 56 LEU PSI:  (56 LEU N)-(56 LEU CA)-(56 LEU C)-(57 SER N)  77.0 217.0
 &rst     iat =   858,   860,   875,   877,
   r1 =  76.0, r2 =  77.0, r3 = 217.0, r4 = 218.0,
 &end

# 57 SER PSI:  (57 SER N)-(57 SER CA)-(57 SER C)-(58 ASP N) -47.0  -7.0
 &rst     iat =   877,   879,   886,   888,
   r1 = -48.0, r2 = -47.0, r3 =  -7.0, r4 =  -6.0,
 &end

# 58 ASP PSI:  (58 ASP N)-(58 ASP CA)-(58 ASP C)-(59 GLY N) -52.0  56.0
 &rst     iat =   888,   890,   898,   900,
   r1 = -53.0, r2 = -52.0, r3 =  56.0, r4 =  57.0,
 &end

# 59 GLY PSI:  (59 GLY N)-(59 GLY CA)-(59 GLY C)-(60 SER N) -120.0  60.0
 &rst     iat =   900,   902,   905,   907,
   r1 = -121.0, r2 = -120.0, r3 =  60.0, r4 =  61.0,
 &end

# 60 SER PSI:  (60 SER N)-(60 SER CA)-(60 SER C)-(61 GLN N) -53.0 -21.0
 &rst     iat =   907,   909,   916,   918,
   r1 = -54.0, r2 = -53.0, r3 = -21.0, r4 = -20.0,
 &end

# 61 GLN PSI:  (61 GLN N)-(61 GLN CA)-(61 GLN C)-(62 LEU N) -54.0 -30.0
 &rst     iat =   918,   920,   933,   935,
   r1 = -55.0, r2 = -54.0, r3 = -30.0, r4 = -29.0,
 &end

# 62 LEU PSI:  (62 LEU N)-(62 LEU CA)-(62 LEU C)-(63 GLN N) -52.0 -32.0
 &rst     iat =   935,   937,   952,   954,
   r1 = -53.0, r2 = -52.0, r3 = -32.0, r4 = -31.0,
 &end

# 63 GLN PSI:  (63 GLN N)-(63 GLN CA)-(63 GLN C)-(64 SER N) -56.0 -28.0
 &rst     iat =   954,   956,   969,   971,
   r1 = -57.0, r2 = -56.0, r3 = -28.0, r4 = -27.0,
 &end

# 64 SER PSI:  (64 SER N)-(64 SER CA)-(64 SER C)-(65 ALA N) -52.0 -32.0
 &rst     iat =   971,   973,   980,   982,
   r1 = -53.0, r2 = -52.0, r3 = -32.0, r4 = -31.0,
 &end

# 65 ALA PSI:  (65 ALA N)-(65 ALA CA)-(65 ALA C)-(66 LEU N) -51.0 -31.0
 &rst     iat =   982,   984,   990,   992,
   r1 = -52.0, r2 = -51.0, r3 = -31.0, r4 = -30.0,
 &end

# 66 LEU PSI:  (66 LEU N)-(66 LEU CA)-(66 LEU C)-(67 ALA N) -49.0 -29.0
 &rst     iat =   992,   994,  1009,  1011,
   r1 = -50.0, r2 = -49.0, r3 = -29.0, r4 = -28.0,
 &end

# 67 ALA PSI:  (67 ALA N)-(67 ALA CA)-(67 ALA C)-(68 HIS N) -54.0 -22.0
 &rst     iat =  1011,  1013,  1019,  1021,
   r1 = -55.0, r2 = -54.0, r3 = -22.0, r4 = -21.0,
 &end

# 68 HIS PSI:  (68 HIS N)-(68 HIS CA)-(68 HIS C)-(69 TRP N) -68.0 -12.0
 &rst     iat =  1021,  1023,  1036,  1038,
   r1 = -69.0, r2 = -68.0, r3 = -12.0, r4 = -11.0,
 &end

# 69 TRP PSI:  (69 TRP N)-(69 TRP CA)-(69 TRP C)-(70 THR N) -61.0  -1.0
 &rst     iat =  1038,  1040,  1060,  1062,
   r1 = -62.0, r2 = -61.0, r3 =  -1.0, r4 =   0.0,
 &end

# 70 THR PSI:  (70 THR N)-(70 THR CA)-(70 THR C)-(71 GLY N) -40.0  20.0
 &rst     iat =  1062,  1064,  1074,  1076,
   r1 = -41.0, r2 = -40.0, r3 =  20.0, r4 =  21.0,
 &end

# 76 PRO PSI:  (76 PRO N)-(76 PRO CA)-(76 PRO C)-(77 ASN N) 111.0 171.0
 &rst     iat =  1144,  1154,  1156,  1158,
   r1 = 110.0, r2 = 111.0, r3 = 171.0, r4 = 172.0,
 &end

# 77 ASN PSI:  (77 ASN N)-(77 ASN CA)-(77 ASN C)-(78 VAL N) 103.0 143.0
 &rst     iat =  1158,  1160,  1170,  1172,
   r1 = 102.0, r2 = 103.0, r3 = 143.0, r4 = 144.0,
 &end

# 78 VAL PSI:  (78 VAL N)-(78 VAL CA)-(78 VAL C)-(79 PHE N) 114.0 146.0
 &rst     iat =  1172,  1174,  1186,  1188,
   r1 = 113.0, r2 = 114.0, r3 = 146.0, r4 = 147.0,
 &end

# 79 PHE PSI:  (79 PHE N)-(79 PHE CA)-(79 PHE C)-(80 ILE N) 120.0 172.0
 &rst     iat =  1188,  1190,  1206,  1208,
   r1 = 119.0, r2 = 120.0, r3 = 172.0, r4 = 173.0,
 &end

# 80 ILE PSI:  (80 ILE N)-(80 ILE CA)-(80 ILE C)-(81 GLY N)  89.0 169.0
 &rst     iat =  1208,  1210,  1225,  1227,
   r1 =  88.0, r2 =  89.0, r3 = 169.0, r4 = 170.0,
 &end

# 88 CYS PSI:  (88 CYS N)-(88 CYS CA)-(88 CYS C)-(89 ASP N) -64.0 -24.0
 &rst     iat =  1313,  1315,  1322,  1324,
   r1 = -65.0, r2 = -64.0, r3 = -24.0, r4 = -23.0,
 &end

# 89 ASP PSI:  (89 ASP N)-(89 ASP CA)-(89 ASP C)-(90 THR N) -58.0 -18.0
 &rst     iat =  1324,  1326,  1334,  1336,
   r1 = -59.0, r2 = -58.0, r3 = -18.0, r4 = -17.0,
 &end

# 90 THR PSI:  (90 THR N)-(90 THR CA)-(90 THR C)-(91 VAL N) -52.0 -36.0
 &rst     iat =  1336,  1338,  1348,  1350,
   r1 = -53.0, r2 = -52.0, r3 = -36.0, r4 = -35.0,
 &end

# 91 VAL PSI:  (91 VAL N)-(91 VAL CA)-(91 VAL C)-(92 VAL N) -55.0 -35.0
 &rst     iat =  1350,  1352,  1364,  1366,
   r1 = -56.0, r2 = -55.0, r3 = -35.0, r4 = -34.0,
 &end

# 92 VAL PSI:  (92 VAL N)-(92 VAL CA)-(92 VAL C)-(93 GLU N) -56.0 -28.0
 &rst     iat =  1366,  1368,  1380,  1382,
   r1 = -57.0, r2 = -56.0, r3 = -28.0, r4 = -27.0,
 &end

# 93 GLU PSI:  (93 GLU N)-(93 GLU CA)-(93 GLU C)-(94 LYS N) -50.0 -26.0
 &rst     iat =  1382,  1384,  1395,  1397,
   r1 = -51.0, r2 = -50.0, r3 = -26.0, r4 = -25.0,
 &end

# 94 LYS PSI:  (94 LYS N)-(94 LYS CA)-(94 LYS C)-(95 HIS N) -57.0 -29.0
 &rst     iat =  1397,  1399,  1417,  1419,
   r1 = -58.0, r2 = -57.0, r3 = -29.0, r4 = -28.0,
 &end

# 95 HIS PSI:  (95 HIS N)-(95 HIS CA)-(95 HIS C)-(96 GLN N) -54.0 -26.0
 &rst     iat =  1419,  1421,  1434,  1436,
   r1 = -55.0, r2 = -54.0, r3 = -26.0, r4 = -25.0,
 &end

# 96 GLN PSI:  (96 GLN N)-(96 GLN CA)-(96 GLN C)-(97 ARG N) -45.0 -21.0
 &rst     iat =  1436,  1438,  1451,  1453,
   r1 = -46.0, r2 = -45.0, r3 = -21.0, r4 = -20.0,
 &end

# 97 ARG PSI:  (97 ARG N)-(97 ARG CA)-(97 ARG C)-(98 ASN N) -24.0  24.0
 &rst     iat =  1453,  1455,  1475,  1477,
   r1 = -25.0, r2 = -24.0, r3 =  24.0, r4 =  25.0,
 &end

# 101 LEU PSI:  (101 LEU N)-(101 LEU CA)-(101 LEU C)-(102 PRO N) -63.0 -27.0
 &rst     iat =  1525,  1527,  1542,  1544,
   r1 = -64.0, r2 = -63.0, r3 = -27.0, r4 = -26.0,
 &end

# 102 PRO PSI:  (102 PRO N)-(102 PRO CA)-(102 PRO C)-(103 LEU N) -53.0 -13.0
 &rst     iat =  1544,  1554,  1556,  1558,
   r1 = -54.0, r2 = -53.0, r3 = -13.0, r4 = -12.0,
 &end

# 103 LEU PSI:  (103 LEU N)-(103 LEU CA)-(103 LEU C)-(104 LEU N) -59.0 -27.0
 &rst     iat =  1558,  1560,  1575,  1577,
   r1 = -60.0, r2 = -59.0, r3 = -27.0, r4 = -26.0,
 &end

# 104 LEU PSI:  (104 LEU N)-(104 LEU CA)-(104 LEU C)-(105 GLN N) -57.0 -25.0
 &rst     iat =  1577,  1579,  1594,  1596,
   r1 = -58.0, r2 = -57.0, r3 = -25.0, r4 = -24.0,
 &end

# 105 GLN PSI:  (105 GLN N)-(105 GLN CA)-(105 GLN C)-(106 ASP N) -54.0 -26.0
 &rst     iat =  1596,  1598,  1611,  1613,
   r1 = -55.0, r2 = -54.0, r3 = -26.0, r4 = -25.0,
 &end

# 106 ASP PSI:  (106 ASP N)-(106 ASP CA)-(106 ASP C)-(107 ALA N) -49.0  -5.0
 &rst     iat =  1613,  1615,  1623,  1625,
   r1 = -50.0, r2 = -49.0, r3 =  -5.0, r4 =  -4.0,
 &end

#
#  24 VAL  HN     79 PHE  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 348,1207, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
#  24 VAL  N      79 PHE  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 347,1207, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  26 PHE  HN     77 ASN  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 380,1171, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  26 PHE  N      77 ASN  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 379,1171, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  26 PHE  O      77 ASN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 398,1159, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  26 PHE  O      77 ASN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 398,1158, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  24 VAL  O      79 PHE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 362,1189, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  24 VAL  O      79 PHE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 362,1188, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  23 VAL  O      49 LYS+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 744, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  23 VAL  O      49 LYS+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 743, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  25 VAL  O      51 VAL  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 782, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  25 VAL  O      51 VAL  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 378, 781, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  27 SER  O      53 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 813, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  27 SER  O      53 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 812, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  25 VAL  HN     49 LYS+ O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 764, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  25 VAL  N      49 LYS+ O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 764, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  27 SER  HN     51 VAL  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 796, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  27 SER  N      51 VAL  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 796, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  80 ILE  O      83 LYS+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1226,1242, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  80 ILE  O      83 LYS+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1226,1241, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  78 VAL  O      85 ILE  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1187,1281, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  78 VAL  O      85 ILE  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1187,1280, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  80 ILE  HN     83 LYS+ O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1209,1262, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  80 ILE  N      83 LYS+ O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1208,1262, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  78 VAL  HN     86 GLY  O       2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1173,1305, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  78 VAL  N      86 GLY  O       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1172,1305, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   4 LYS+ O       8 ASP- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 115, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   4 LYS+ O       8 ASP- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  62, 114, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   5 GLN  O       9 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  79, 127, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   5 GLN  O       9 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  79, 126, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   6 GLU- O      10 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  94, 137, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   6 GLU- O      10 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  94, 136, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   7 LEU  O      11 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 147, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   7 LEU  O      11 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 146, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   8 ASP- O      12 LYS+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 166, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   8 ASP- O      12 LYS+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 165, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   9 ALA  O      13 LYS+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 188, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   9 ALA  O      13 LYS+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 187, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  10 ALA  O      14 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 210, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  10 ALA  O      14 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 209, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  11 LEU  O      15 LYS+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 220, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  11 LEU  O      15 LYS+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 219, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  12 LYS+ O      16 GLU- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 242, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  12 LYS+ O      16 GLU- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 241, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  13 LYS+ O      17 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 257, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  13 LYS+ O      17 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 256, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  14 ALA  O      18 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 276, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  14 ALA  O      18 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 275, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  31 CYS  O      35 ASN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 517, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  31 CYS  O      35 ASN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 476, 516, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  32 GLY  O      36 ARG+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 531, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  32 GLY  O      36 ARG+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 530, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  33 TYR  O      37 VAL  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 555, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  33 TYR  O      37 VAL  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 554, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  34 CYS  O      38 LYS+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 571, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  34 CYS  O      38 LYS+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 570, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  35 ASN  O      39 GLN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 593, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  35 ASN  O      39 GLN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 592, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  36 ARG+ O      40 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 610, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  36 ARG+ O      40 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 609, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  37 VAL  O      41 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 629, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  37 VAL  O      41 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 628, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  38 LYS+ O      42 THR  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 648, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  38 LYS+ O      42 THR  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 591, 647, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  39 GLN  O      43 GLN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 662, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  39 GLN  O      43 GLN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 661, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  59 GLY  O      63 GLN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 955, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  59 GLY  O      63 GLN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 954, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  60 SER  O      64 SER  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 972, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  60 SER  O      64 SER  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 971, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  61 GLN  O      65 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 934, 983, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  61 GLN  O      65 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 934, 982, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  62 LEU  O      66 LEU  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 993, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  62 LEU  O      66 LEU  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 953, 992, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  63 GLN  O      67 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 970,1012, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  63 GLN  O      67 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 970,1011, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  64 SER  O      68 HIS  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 981,1022, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  64 SER  O      68 HIS  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat= 981,1021, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  88 CYS  O      92 VAL  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1367, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  88 CYS  O      92 VAL  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1323,1366, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  89 ASP- O      93 GLU- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1335,1383, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  89 ASP- O      93 GLU- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1335,1382, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  90 THR  O      94 LYS+ HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1349,1398, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  90 THR  O      94 LYS+ N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1349,1397, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  91 VAL  O      95 HIS  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1365,1420, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  91 VAL  O      95 HIS  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1365,1419, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  92 VAL  O      96 GLN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1437, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  92 VAL  O      96 GLN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1436, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 101 LEU  O     105 GLN  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1543,1597, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 101 LEU  O     105 GLN  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1543,1596, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 102 PRO  O     106 ASP- HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1557,1614, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 102 PRO  O     106 ASP- N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1557,1613, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 103 LEU  O     107 ALA  HN      2.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1576,1626, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 103 LEU  O     107 ALA  N       3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=1576,1625, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   69 TRP  HN            0 AMB  25-1:0      4.50    (#      0:25  Single Ambig)
 &rst
  ixpk= 0, nxpk= 25, iat=1039,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr2=1043,1044,1026,1027,
 &end
#
#   30 TYR  HE           31 CYS  HB+         5.50    (#      1:25  Unique         4.74, 6.27 A)
 &rst
  ixpk= 1, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 457, 462,
 igr2= 473, 472,
 &end
#
#   30 TYR  HE           31 CYS  HB-         4.50    (#      2:25  Unique         4.74, 6.27 A)
 &rst
  ixpk= 2, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 457, 462,
 igr2= 473, 472,
 &end
#
#   97 ARG  HN           97 ARG  HB+         4.50    (#      3:25  Unique         2.32, 3.02 A)
 &rst
  ixpk= 3, nxpk= 25, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1458,1459,
 &end
#
#   97 ARG  HN           97 ARG  HB-         5.50    (#      4:25  Unique         2.32, 3.02 A)
 &rst
  ixpk= 4, nxpk= 25, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1458,1459,
 &end
#
#   65 ALA  HN           64 SER  HB+         4.50    (#      5:25  Unique         2.48, 3.21 A)
 &rst
  ixpk= 5, nxpk= 25, iat= 983,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 976, 977,
 &end
#
#   64 SER  HN           64 SER  HB+         3.50    (#      6:25  Unique         2.54, 3.09 A)
 &rst
  ixpk= 6, nxpk= 25, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 976, 977,
 &end
#
#   65 ALA  HN           64 SER  HB-         4.50    (#      7:25  Unique         2.48, 3.21 A)
 &rst
  ixpk= 7, nxpk= 25, iat= 983,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 976, 977,
 &end
#
#   64 SER  HN           64 SER  HB-         3.50    (#      8:25  Unique         2.54, 3.09 A)
 &rst
  ixpk= 8, nxpk= 25, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 976, 977,
 &end
#
#   55 GLU  HN           55 GLU  HB+         4.50    (#      9:25  Unique         2.34, 2.92 A)
 &rst
  ixpk= 9, nxpk= 25, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 848, 849,
 &end
#
#   55 GLU  HN           55 GLU  HB-         4.50    (#     10:25  Unique         2.34, 2.92 A)
 &rst
  ixpk= 10, nxpk= 25, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 848, 849,
 &end
#
#   58 ASP  HN           57 SER  QB          4.50    (#     11:25  Unique         2.96, 3.70 A)
 &rst
  ixpk= 11, nxpk= 25, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 882, 883,
 &end
#
#   60 SER  HN           60 SER  HA          4.50    (#     12:25  Unique         2.76, 2.78 A)
 &rst
  ixpk= 12, nxpk= 25, iat= 908, 910, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:13       0 AMB  25-1:13     4.50    (#     13:25  Double Ambig)
 &rst
  ixpk= 13, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 955, 936,
 igr2= 910, 976, 977,
 &end
#
#   89 ASP  HN           88 CYS  HA          5.50    (#     14:25  Unique         3.58, 3.59 A)
 &rst
  ixpk= 14, nxpk= 25, iat=1325,1316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91 VAL  HN           88 CYS  HA          5.50    (#     15:25  Unique         3.56, 3.64 A)
 &rst
  ixpk= 15, nxpk= 25, iat=1351,1316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 CYS  HN           88 CYS  HA          5.50    (#     16:25  Unique         2.77, 2.79 A)
 &rst
  ixpk= 16, nxpk= 25, iat=1314,1316, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 HIS  HN           68 HIS  HB+         3.50    (#     17:25  Unique         2.06, 2.45 A)
 &rst
  ixpk= 17, nxpk= 25, iat=1022,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1026,1027,
 &end
#
#   68 HIS  HD2          68 HIS  HB+         5.50    (#     18:25  Unique         2.58, 3.22 A)
 &rst
  ixpk= 18, nxpk= 25, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1026,1027,
 &end
#
#   69 TRP  HN           68 HIS  HB-         4.50    (#     19:25  Unique         2.75, 3.47 A)
 &rst
  ixpk= 19, nxpk= 25, iat=1039,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1026,1027,
 &end
#
#    0 AMB  25-2:20      68 HIS  HB-         5.50    (#     20:25  Single Ambig)
 &rst
  ixpk= 20, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1012, 983,1063,
 igr2=1026,1027,
 &end
#
#   68 HIS  HN           68 HIS  HB-         3.50    (#     21:25  Unique         2.06, 2.45 A)
 &rst
  ixpk= 21, nxpk= 25, iat=1022,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1026,1027,
 &end
#
#   68 HIS  HD2          68 HIS  HB-         5.50    (#     22:25  Unique         2.58, 3.22 A)
 &rst
  ixpk= 22, nxpk= 25, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1026,1027,
 &end
#
#   61 GLN  HN            0 AMB  25-1:23     4.50    (#     23:25  Single Ambig)
 &rst
  ixpk= 23, nxpk= 25, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 910, 976, 977,
 &end
#
#    7 LEU  HN            6 GLU  HB-         4.50    (#     24:25  Unique         2.57, 3.22 A)
 &rst
  ixpk= 24, nxpk= 25, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  85,  86,
 &end
#
#    6 GLU  HN            6 GLU  HB-         3.50    (#     25:25  Unique         2.28, 2.95 A)
 &rst
  ixpk= 25, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  85,  86,
 &end
#
#    7 LEU  HN            6 GLU  HB+         4.50    (#     26:25  Unique         2.57, 3.22 A)
 &rst
  ixpk= 26, nxpk= 25, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  85,  86,
 &end
#
#    6 GLU  HN            6 GLU  HB+         4.50    (#     27:25  Unique         2.28, 2.95 A)
 &rst
  ixpk= 27, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  85,  86,
 &end
#
#   33 TYR  HN           33 TYR  HA          5.50    (#     28:25  Unique         2.84, 2.86 A)
 &rst
  ixpk= 28, nxpk= 25, iat= 485, 487, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 SER  HN           60 SER  QB          5.50    (#     29:25  Unique         2.66, 3.11 A)
 &rst
  ixpk= 29, nxpk= 25, iat= 908,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 912, 913,
 &end
#
#    0 AMB  25-2:31      64 SER  HA          4.50    (#     31:25  Single Ambig)
 &rst
  ixpk= 31, nxpk= 25, iat=  -1, 974, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1012, 983,
 &end
#
#   64 SER  HN           64 SER  HA          4.50    (#     32:25  Unique         2.81, 2.84 A)
 &rst
  ixpk= 32, nxpk= 25, iat= 972, 974, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 THR  HN           70 THR  HA          4.50    (#     33:25  Unique         2.90, 2.95 A)
 &rst
  ixpk= 33, nxpk= 25, iat=1063,1065, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:34      70 THR  HA          4.50    (#     34:25  Single Ambig)
 &rst
  ixpk= 34, nxpk= 25, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1077,1168,1169,
 &end
#
#    0 AMB  25-2:35       0 AMB  25-1:35     5.50    (#     35:25  Double Ambig)
 &rst
  ixpk= 35, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1680, 517,
 igr2=1658, 487,
 &end
#
#   33 TYR  HD           33 TYR  HA          4.50    (#     36:25  Unique         2.42, 3.46 A)
 &rst
  ixpk= 36, nxpk= 25, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 493, 502,
 &end
#
#    0 AMB  25-2:37      60 SER  QB          5.50    (#     37:25  Single Ambig)
 &rst
  ixpk= 37, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 936, 955,
 igr2= 912, 913,
 &end
#
#   44 VAL  HN           44 VAL  HA          3.50    (#     38:25  Unique         2.86, 2.92 A)
 &rst
  ixpk= 38, nxpk= 25, iat= 679, 681, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ARG  HN           36 ARG  HB-         3.50    (#     39:25  Unique         2.32, 2.64 A)
 &rst
  ixpk= 39, nxpk= 25, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 535, 536,
 &end
#
#  116 GLN  HN          116 GLN  HB+         5.50    (#     40:25  Unique         2.48, 3.42 A)
 &rst
  ixpk= 40, nxpk= 25, iat=1740,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1744,1745,
 &end
#
#   36 ARG  HN           36 ARG  HB+         3.50    (#     41:25  Unique         2.32, 2.64 A)
 &rst
  ixpk= 41, nxpk= 25, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 535, 536,
 &end
#
#  116 GLN  HN          116 GLN  HB-         4.50    (#     42:25  Unique         2.48, 3.42 A)
 &rst
  ixpk= 42, nxpk= 25, iat=1740,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1744,1745,
 &end
#
#   13 LYS  HN           12 LYS  QD          5.50    (#     43:25  Unique         3.51, 5.30 A)
 &rst
  ixpk= 43, nxpk= 25, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 176, 177,
 &end
#
#   12 LYS  HN           12 LYS  QD          4.50    (#     44:25  Unique         3.61, 4.83 A)
 &rst
  ixpk= 44, nxpk= 25, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 176, 177,
 &end
#
#   50 VAL  HN           49 LYS  QD          4.50    (#     45:25  Unique         2.71, 4.65 A)
 &rst
  ixpk= 45, nxpk= 25, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 754, 755,
 &end
#
#    0 AMB  25-2:46      15 LYS  QD          4.50    (#     46:25  Single Ambig)
 &rst
  ixpk= 46, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 220, 242,
 igr2= 230, 231,
 &end
#
#    0 AMB  25-2:47       0 AMB  25-1:47     3.50    (#     47:25  Double Ambig)
 &rst
  ixpk= 47, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1656, 555,
 igr2=1658, 487,
 &end
#
#   47 SER  HN          110 THR  HA          5.50    (#     48:25  Unique         3.21, 3.81 A)
 &rst
  ixpk= 48, nxpk= 25, iat= 712,1658, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  111 ALA  HN          110 THR  HA          3.50    (#     49:25  Unique         2.19, 2.77 A)
 &rst
  ixpk= 49, nxpk= 25, iat=1670,1658, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 ASP  HN           57 SER  HA          5.50    (#     50:25  Unique         3.44, 3.50 A)
 &rst
  ixpk= 50, nxpk= 25, iat= 889, 880, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LEU  HN           16 GLU  HB+         5.50    (#     51:25  Unique         2.36, 3.05 A)
 &rst
  ixpk= 51, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 246, 247,
 &end
#
#   16 GLU  HN           16 GLU  HB+         3.50    (#     52:25  Unique         2.11, 2.72 A)
 &rst
  ixpk= 52, nxpk= 25, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 246, 247,
 &end
#
#   17 LEU  HN           16 GLU  HB+         5.50    (#     53:25  Unique         2.36, 3.05 A)
 &rst
  ixpk= 53, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 246, 247,
 &end
#
#    0 AMB  25-2:54       0 AMB  25-1:54     3.50    (#     54:25  Double Ambig)
 &rst
  ixpk= 54, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1383,1398,
 igr2=1387,1388,1387,1388,
 &end
#
#    0 AMB  25-2:55      93 GLU  HB-         2.50    (#     55:25  Single Ambig)
 &rst
  ixpk= 55, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1383,1398,
 igr2=1387,1388,
 &end
#
#   17 LEU  HN           16 GLU  HB-         4.50    (#     56:25  Unique         2.36, 3.05 A)
 &rst
  ixpk= 56, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 246, 247,
 &end
#
#   16 GLU  HN           16 GLU  HB-         3.50    (#     57:25  Unique         2.11, 2.72 A)
 &rst
  ixpk= 57, nxpk= 25, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 246, 247,
 &end
#
#    0 AMB  25-2:58      51 VAL  HA          2.50    (#     58:25  Single Ambig)
 &rst
  ixpk= 58, nxpk= 25, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 798, 782,
 &end
#
#    0 AMB  25-2:59      94 LYS  HD-         5.50    (#     59:25  Single Ambig)
 &rst
  ixpk= 59, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1398,1420,1383,
 igr2=1408,1409,
 &end
#
#   94 LYS  HN           94 LYS  HD+         5.50    (#     60:25  Unique         3.84, 4.23 A)
 &rst
  ixpk= 60, nxpk= 25, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1408,1409,
 &end
#
#   83 LYS  HN           83 LYS  QD          5.50    (#     61:25  Unique         4.76, 5.22 A)
 &rst
  ixpk= 61, nxpk= 25, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1252,1253,
 &end
#
#   84 GLN  HN           83 LYS  QD          5.50    (#     62:25  Unique         2.39, 5.26 A)
 &rst
  ixpk= 62, nxpk= 25, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1252,1253,
 &end
#
#   21 ALA  HN           20 SER  HA          4.50    (#     63:25  Unique         3.42, 3.45 A)
 &rst
  ixpk= 63, nxpk= 25, iat= 308, 299, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 CYS  HN           34 CYS  HB+         5.50    (#     64:25  Unique         2.42, 2.93 A)
 &rst
  ixpk= 64, nxpk= 25, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 510, 511,
 &end
#
#   35 ASN  HN           34 CYS  HB-         5.50    (#     65:25  Unique         2.43, 3.09 A)
 &rst
  ixpk= 65, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 510, 511,
 &end
#
#   20 SER  HN           20 SER  HA          4.50    (#     66:25  Unique         2.81, 2.88 A)
 &rst
  ixpk= 66, nxpk= 25, iat= 297, 299, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:67       0 AMB  25-1:67     5.50    (#     67:25  Double Ambig)
 &rst
  ixpk= 67, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1478, 629,
 igr2=1441,1442, 666, 667,
 &end
#
#   44 VAL  HN           43 GLN  QB          3.50    (#     68:25  Unique         2.70, 3.28 A)
 &rst
  ixpk= 68, nxpk= 25, iat= 679,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 666, 667,
 &end
#
#   43 GLN  HN           43 GLN  QB          2.50    (#     69:25  Unique         2.31, 2.97 A)
 &rst
  ixpk= 69, nxpk= 25, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 666, 667,
 &end
#
#   64 SER  HN           63 GLN  HB+         4.50    (#     70:25  Unique         2.57, 3.26 A)
 &rst
  ixpk= 70, nxpk= 25, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 959, 960,
 &end
#
#   64 SER  HN           63 GLN  HB-         4.50    (#     71:25  Unique         2.57, 3.26 A)
 &rst
  ixpk= 71, nxpk= 25, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 959, 960,
 &end
#
#  105 GLN  HN          105 GLN  HB+         3.50    (#     72:25  Unique         2.30, 3.00 A)
 &rst
  ixpk= 72, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1601,1602,
 &end
#
#    0 AMB  25-2:73       0 AMB  25-1:73     4.50    (#     73:25  Double Ambig)
 &rst
  ixpk= 73, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1449,1450,1559,
 igr2=1441,1442,1549,1550,
 &end
#
#   39 GLN  HN           39 GLN  QB          2.50    (#     74:25  Unique         2.38, 3.04 A)
 &rst
  ixpk= 74, nxpk= 25, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 597, 598,
 &end
#
#   40 LEU  HN           39 GLN  QB          3.50    (#     75:25  Unique         2.57, 3.26 A)
 &rst
  ixpk= 75, nxpk= 25, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 597, 598,
 &end
#
#    0 AMB  25-2:76       0 AMB  25-1:76     3.50    (#     76:25  Double Ambig)
 &rst
  ixpk= 76, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  64,1702,
 igr2=  68,  69,1601,1602,
 &end
#
#    0 AMB  25-2:77       0 AMB  25-1:77     5.50    (#     77:25  Double Ambig)
 &rst
  ixpk= 77, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1730,1680,  96,
 igr2=1601,1602,  68,  69,
 &end
#
#    5 GLN  HN            5 GLN  HB-         3.50    (#     78:25  Unique         2.20, 2.54 A)
 &rst
  ixpk= 78, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  68,  69,
 &end
#
#   33 TYR  HN           31 CYS  HA          5.50    (#     79:25  Unique         3.23, 3.89 A)
 &rst
  ixpk= 79, nxpk= 25, iat= 485, 470, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 GLY  HN           31 CYS  HA          3.50    (#     80:25  Unique         2.10, 2.15 A)
 &rst
  ixpk= 80, nxpk= 25, iat= 478, 470, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 TYR  HD           31 CYS  HA          5.50    (#     81:25  Unique         2.76, 4.50 A)
 &rst
  ixpk= 81, nxpk= 25, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 455, 464,
 &end
#
#   66 LEU  HN           63 GLN  HA          5.50    (#     82:25  Unique         3.09, 3.38 A)
 &rst
  ixpk= 82, nxpk= 25, iat= 993, 957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 GLN  HN           63 GLN  HA          3.50    (#     83:25  Unique         2.78, 2.83 A)
 &rst
  ixpk= 83, nxpk= 25, iat= 955, 957, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 SER  HN           63 GLN  HA          5.50    (#     84:25  Unique         3.53, 3.61 A)
 &rst
  ixpk= 84, nxpk= 25, iat= 972, 957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:85      38 LYS  HA          3.50    (#     85:25  Single Ambig)
 &rst
  ixpk= 85, nxpk= 25, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 571, 593, 629,
 &end
#
#   48 TYR  HE           38 LYS  HA          4.50    (#     86:25  Unique         2.86, 3.99 A)
 &rst
  ixpk= 86, nxpk= 25, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 733, 738,
 &end
#
#    0 AMB  25-2:87       0 AMB  25-1:87     4.50    (#     87:25  Double Ambig)
 &rst
  ixpk= 87, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1=1420, 648,1383,1398,
 igr2=1441,1442, 666, 667,1441,1442,1441,1442,
 &end
#
#    0 AMB  25-2:88       0 AMB  25-1:88     4.50    (#     88:25  Double Ambig)
 &rst
  ixpk= 88, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 674, 675,1449,1450,1454,
 igr2= 666, 667,1441,1442,1441,1442,
 &end
#
#    0 AMB  25-2:89       0 AMB  25-1:89     5.50    (#     89:25  Double Ambig)
 &rst
  ixpk= 89, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 332, 967, 968,
 igr2= 322, 323, 959, 960,
 &end
#
#   96 GLN  HN           96 GLN  HB-         3.50    (#     90:25  Unique         2.35, 3.03 A)
 &rst
  ixpk= 90, nxpk= 25, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1441,1442,
 &end
#
#    0 AMB  25-2:91      96 GLN  HB-         5.50    (#     91:25  Single Ambig)
 &rst
  ixpk= 91, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1420,1383,1398,
 igr2=1441,1442,
 &end
#
#    0 AMB  25-2:92       0 AMB  25-1:92     4.50    (#     92:25  Double Ambig)
 &rst
  ixpk= 92, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1609,1610,1454,
 igr2=1601,1602,1441,1442,
 &end
#
#  105 GLN  HN          105 GLN  HB-         3.50    (#     93:25  Unique         2.30, 3.00 A)
 &rst
  ixpk= 93, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1601,1602,
 &end
#
#  101 LEU  HN          101 LEU  HG          4.50    (#     94:25  Unique         3.30, 4.24 A)
 &rst
  ixpk= 94, nxpk= 25, iat=1526,1533, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 TYR  HE           31 CYS  HA          4.50    (#     95:25  Unique         3.63, 5.15 A)
 &rst
  ixpk= 95, nxpk= 25, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 457, 462,
 &end
#
#  101 LEU  HN          101 LEU  HA          4.50    (#     96:25  Unique         2.80, 2.83 A)
 &rst
  ixpk= 96, nxpk= 25, iat=1526,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 TRP  HZ3          15 LYS  HA          4.50    (#     97:25  Unique         3.23, 3.45 A)
 &rst
  ixpk= 97, nxpk= 25, iat=1056, 222, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 GLN  HN           61 GLN  HB+         4.50    (#     98:25  Unique         2.02, 3.09 A)
 &rst
  ixpk= 98, nxpk= 25, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 923, 924,
 &end
#
#   62 LEU  HN           61 GLN  HB-         4.50    (#     99:25  Unique         2.57, 3.42 A)
 &rst
  ixpk= 99, nxpk= 25, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 923, 924,
 &end
#
#   61 GLN  HN           61 GLN  HB-         4.50    (#    100:25  Unique         2.02, 3.09 A)
 &rst
  ixpk= 100, nxpk= 25, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 923, 924,
 &end
#
#   97 ARG  HN           97 ARG  HG-         4.50    (#    101:25  Unique         2.34, 3.05 A)
 &rst
  ixpk= 101, nxpk= 25, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1461,1462,
 &end
#
#   97 ARG  HN           97 ARG  HG+         4.50    (#    102:25  Unique         2.34, 3.05 A)
 &rst
  ixpk= 102, nxpk= 25, iat=1454,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1461,1462,
 &end
#
#  105 GLN  HN          101 LEU  HA          5.50    (#    104:25  Unique         3.79, 3.93 A)
 &rst
  ixpk= 104, nxpk= 25, iat=1597,1528, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 GLN  HN           61 GLN  HA          3.50    (#    105:25  Unique         2.88, 2.93 A)
 &rst
  ixpk= 105, nxpk= 25, iat= 919, 921, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:106     93 GLU  HA          3.50    (#    106:25  Single Ambig)
 &rst
  ixpk= 106, nxpk= 25, iat=  -1,1385, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1383,1398,
 &end
#
#   94 LYS  HN           94 LYS  HA          3.50    (#    107:25  Unique         2.85, 2.87 A)
 &rst
  ixpk= 107, nxpk= 25, iat=1398,1400, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   97 ARG  HN           94 LYS  HA          5.50    (#    108:25  Unique         3.17, 3.32 A)
 &rst
  ixpk= 108, nxpk= 25, iat=1454,1400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 LYS  HN           12 LYS  HA          3.50    (#    109:25  Unique         2.82, 2.84 A)
 &rst
  ixpk= 109, nxpk= 25, iat= 166, 168, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HN           12 LYS  HA          4.50    (#    110:25  Unique         3.60, 3.61 A)
 &rst
  ixpk= 110, nxpk= 25, iat= 188, 168, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:111     15 LYS  HA          3.50    (#    111:25  Single Ambig)
 &rst
  ixpk= 111, nxpk= 25, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 220, 242,
 &end
#
#   18 ALA  HN           15 LYS  HA          5.50    (#    112:25  Unique         3.11, 3.43 A)
 &rst
  ixpk= 112, nxpk= 25, iat= 276, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 TRP  HH2          15 LYS  HA          3.50    (#    113:25  Unique         2.21, 2.39 A)
 &rst
  ixpk= 113, nxpk= 25, iat=1054, 222, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 ARG  HN           36 ARG  HG-         4.50    (#    114:25  Unique         2.36, 4.15 A)
 &rst
  ixpk= 114, nxpk= 25, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 538, 539,
 &end
#
#   63 GLN  HE2+         74 THR  HA          5.50    (#    115:25  Unique         2.84, 4.30 A)
 &rst
  ixpk= 115, nxpk= 25, iat=  -1,1117, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 967, 968,
 &end
#
#   75 VAL  HN           74 THR  HA          2.50    (#    116:25  Unique         2.19, 2.43 A)
 &rst
  ixpk= 116, nxpk= 25, iat=1129,1117, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  25-2:117     74 THR  HA          4.50    (#    117:25  Single Ambig)
 &rst
  ixpk= 117, nxpk= 25, iat=  -1,1117, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1115, 967, 968,
 &end
#
#    0 AMB  25-2:118     68 HIS  HA          5.50    (#    118:25  Single Ambig)
 &rst
  ixpk= 118, nxpk= 25, iat=  -1,1024, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1063,1012,
 &end
#
#   68 HIS  HN           68 HIS  HA          3.50    (#    119:25  Unique         2.80, 2.83 A)
 &rst
  ixpk= 119, nxpk= 25, iat=1022,1024, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:120      0 AMB  25-1:120    4.50    (#    120:25  Double Ambig)
 &rst
  ixpk= 120, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1039,1209,
 igr2=1024,1283,
 &end
#
#   86 GLY  HN           85 ILE  HA          5.50    (#    121:25  Unique         3.62, 3.65 A)
 &rst
  ixpk= 121, nxpk= 25, iat=1300,1283, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:122      0 AMB  25-1:122    3.50    (#    122:25  Double Ambig)
 &rst
  ixpk= 122, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 188, 555,
 igr2= 190, 533,
 &end
#
#    0 AMB  25-2:123      0 AMB  25-1:123    5.50    (#    123:25  Double Ambig)
 &rst
  ixpk= 123, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1449,1450, 605, 606, 674, 675,
 igr2=1385, 533, 664,
 &end
#
#    0 AMB  25-2:124      0 AMB  25-1:124    3.50    (#    124:25  Double Ambig)
 &rst
  ixpk= 124, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 662, 115,
 igr2= 664,  44,
 &end
#
#   53 LEU  HN           53 LEU  HG          4.50    (#    125:25  Unique         2.20, 3.09 A)
 &rst
  ixpk= 125, nxpk= 25, iat= 813, 820, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  115 ALA  HN          114 PRO  QG          5.50    (#    126:25  Unique         2.75, 4.28 A)
 &rst
  ixpk= 126, nxpk= 25, iat=1730,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1720,1721,
 &end
#
#   62 LEU  HN           62 LEU  MDX         3.50    (#    127:25  Unique         2.40, 4.70 A)
 &rst
  ixpk= 127, nxpk= 25, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   36 ARG  HN           36 ARG  HG+         4.50    (#    128:25  Unique         2.36, 4.15 A)
 &rst
  ixpk= 128, nxpk= 25, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 538, 539,
 &end
#
#    0 AMB  25-2:129      0 AMB  25-1:129    5.50    (#    129:25  Double Ambig)
 &rst
  ixpk= 129, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 544,1276,1277,
 igr2= 538, 539,1268,1269,
 &end
#
#  117 LEU  HN          117 LEU  HG          5.50    (#    130:25  Unique         2.52, 4.32 A)
 &rst
  ixpk= 130, nxpk= 25, iat=1757,1764, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 THR  HN           72 ARG  HG+         5.50    (#    131:25  Unique         2.29, 3.57 A)
 &rst
  ixpk= 131, nxpk= 25, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1091,1092,
 &end
#
#    0 AMB  25-2:132      0 AMB  25-1:132    5.50    (#    132:25  Double Ambig)
 &rst
  ixpk= 132, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1168,1169,1084,
 igr2=1091,1092,1091,1092,
 &end
#
#   11 LEU  HN           11 LEU  HG          5.50    (#    133:25  Unique         4.43, 4.51 A)
 &rst
  ixpk= 133, nxpk= 25, iat= 147, 154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:134     72 ARG  HG-         5.50    (#    134:25  Single Ambig)
 &rst
  ixpk= 134, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1168,1169,1084,
 igr2=1091,1092,
 &end
#
#   74 THR  HN           72 ARG  HG-         5.50    (#    135:25  Unique         2.29, 3.57 A)
 &rst
  ixpk= 135, nxpk= 25, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1091,1092,
 &end
#
#    0 AMB  25-2:136     40 LEU  MDY         5.50    (#    136:25  Single Ambig)
 &rst
  ixpk= 136, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 610, 679,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   85 ILE  HN           85 ILE  HA          4.50    (#    137:25  Unique         2.99, 2.99 A)
 &rst
  ixpk= 137, nxpk= 25, iat=1281,1283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:138      0 AMB  25-1:138    4.50    (#    138:25  Double Ambig)
 &rst
  ixpk= 138, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1609,1610, 931, 932,
 igr2=1599,  83,
 &end
#
#   39 GLN  HN           39 GLN  HA          3.50    (#    139:25  Unique         2.84, 2.86 A)
 &rst
  ixpk= 139, nxpk= 25, iat= 593, 595, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   40 LEU  HN           39 GLN  HA          4.50    (#    140:25  Unique         3.59, 3.61 A)
 &rst
  ixpk= 140, nxpk= 25, iat= 610, 595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 LEU  HN           16 GLU  HA          4.50    (#    141:25  Unique         3.59, 3.60 A)
 &rst
  ixpk= 141, nxpk= 25, iat= 257, 244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 GLU  HN           16 GLU  HA          3.50    (#    142:25  Unique         2.80, 2.84 A)
 &rst
  ixpk= 142, nxpk= 25, iat= 242, 244, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   88 CYS  HN           88 CYS  HB+         5.50    (#    143:25  Unique         2.33, 2.95 A)
 &rst
  ixpk= 143, nxpk= 25, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1318,1319,
 &end
#
#   89 ASP  HN           88 CYS  HB+         5.50    (#    144:25  Unique         2.46, 3.48 A)
 &rst
  ixpk= 144, nxpk= 25, iat=1325,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1318,1319,
 &end
#
#   88 CYS  HN           88 CYS  HB-         4.50    (#    145:25  Unique         2.33, 2.95 A)
 &rst
  ixpk= 145, nxpk= 25, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1318,1319,
 &end
#
#   85 ILE  HN           85 ILE  HG1-        5.50    (#    147:25  Unique         2.66, 3.45 A)
 &rst
  ixpk= 147, nxpk= 25, iat=1281,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1291,1292,
 &end
#
#   85 ILE  HN           84 GLN  HB+         5.50    (#    148:25  Unique         3.11, 4.15 A)
 &rst
  ixpk= 148, nxpk= 25, iat=1281,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1268,1269,
 &end
#
#   84 GLN  HN           84 GLN  HB+         3.50    (#    149:25  Unique         2.19, 2.51 A)
 &rst
  ixpk= 149, nxpk= 25, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1268,1269,
 &end
#
#    0 AMB  25-2:150      0 AMB  25-1:150    4.50    (#    150:25  Double Ambig)
 &rst
  ixpk= 150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 993,1597,
 igr2=1000,1514,
 &end
#
#   73 GLY  HN           72 ARG  HG+         5.50    (#    151:25  Unique         1.98, 4.24 A)
 &rst
  ixpk= 151, nxpk= 25, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1091,1092,
 &end
#
#   84 GLN  HN           84 GLN  HB-         4.50    (#    152:25  Unique         2.19, 2.51 A)
 &rst
  ixpk= 152, nxpk= 25, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1268,1269,
 &end
#
#   85 ILE  HN           85 ILE  HG1+        5.50    (#    153:25  Unique         2.66, 3.45 A)
 &rst
  ixpk= 153, nxpk= 25, iat=1281,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1291,1292,
 &end
#
#   80 ILE  HN           85 ILE  HG1+        5.50    (#    154:25  Unique         2.27, 2.97 A)
 &rst
  ixpk= 154, nxpk= 25, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1291,1292,
 &end
#
#    5 GLN  HN            5 GLN  HA          3.50    (#    155:25  Unique         2.81, 2.87 A)
 &rst
  ixpk= 155, nxpk= 25, iat=  64,  66, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:156      5 GLN  HA          3.50    (#    156:25  Single Ambig)
 &rst
  ixpk= 156, nxpk= 25, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  81, 127,
 &end
#
#   69 TRP  HE3          66 LEU  HA          4.50    (#    157:25  Unique         2.36, 2.85 A)
 &rst
  ixpk= 157, nxpk= 25, iat=1058, 995, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 LYS  HN            4 LYS  HA          3.50    (#    158:25  Unique         2.74, 2.83 A)
 &rst
  ixpk= 158, nxpk= 25, iat=  42,  44, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 LEU  HN            0 AMB  25-1:159    3.50    (#    159:25  Single Ambig)
 &rst
  ixpk= 159, nxpk= 25, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  44,  83,
 &end
#
#    0 AMB  25-2:160     96 GLN  HA          4.50    (#    160:25  Single Ambig)
 &rst
  ixpk= 160, nxpk= 25, iat=  -1,1439, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1454,1449,1450,
 &end
#
#   96 GLN  HN           96 GLN  HA          3.50    (#    161:25  Unique         2.81, 2.84 A)
 &rst
  ixpk= 161, nxpk= 25, iat=1437,1439, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:162      0 AMB  25-1:162    4.50    (#    162:25  Double Ambig)
 &rst
  ixpk= 162, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  96, 517,
 igr2= 103, 538, 539,
 &end
#
#    8 ASP  HN            7 LEU  HG          5.50    (#    163:25  Unique         3.82, 4.05 A)
 &rst
  ixpk= 163, nxpk= 25, iat= 115, 103, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 LEU  HN           41 LEU  HG          4.50    (#    164:25  Unique         2.35, 2.83 A)
 &rst
  ixpk= 164, nxpk= 25, iat= 629, 636, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:165      0 AMB  25-1:165    5.50    (#    165:25  Double Ambig)
 &rst
  ixpk= 165, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1420,1012,1398,
 igr2=1514,1000,
 &end
#
#   17 LEU  HN           17 LEU  HG          4.50    (#    166:25  Unique         2.40, 2.47 A)
 &rst
  ixpk= 166, nxpk= 25, iat= 257, 264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105 GLN  HN          104 LEU  HG          5.50    (#    167:25  Unique         4.45, 4.62 A)
 &rst
  ixpk= 167, nxpk= 25, iat=1597,1585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104 LEU  HN          104 LEU  HG          4.50    (#    168:25  Unique         2.46, 2.53 A)
 &rst
  ixpk= 168, nxpk= 25, iat=1578,1585, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105 GLN  HN          105 GLN  HA          3.50    (#    169:25  Unique         2.83, 2.86 A)
 &rst
  ixpk= 169, nxpk= 25, iat=1597,1599, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:170      0 AMB  25-1:170    5.50    (#    170:25  Double Ambig)
 &rst
  ixpk= 170, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1609,1610, 931, 932,
 igr2=1599,  83,
 &end
#
#    0 AMB  25-2:171      6 GLU  HA          3.50    (#    171:25  Single Ambig)
 &rst
  ixpk= 171, nxpk= 25, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  81, 127, 137,
 &end
#
#   98 ASN  HN           96 GLN  HA          5.50    (#    172:25  Unique         3.40, 3.62 A)
 &rst
  ixpk= 172, nxpk= 25, iat=1478,1439, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  103 LEU  HN          103 LEU  HG          4.50    (#    173:25  Unique         4.35, 4.42 A)
 &rst
  ixpk= 173, nxpk= 25, iat=1559,1566, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 SER  HN           66 LEU  HG          7.00    (#    175:25  Unique         6.07, 6.49 A)
 &rst
  ixpk= 175, nxpk= 25, iat= 400,1000, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   18 ALA  HN           17 LEU  HG          5.50    (#    176:25  Unique         4.52, 4.57 A)
 &rst
  ixpk= 176, nxpk= 25, iat= 276, 264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 PHE  HZ           17 LEU  HG          5.50    (#    177:25  Unique         4.94, 5.13 A)
 &rst
  ixpk= 177, nxpk= 25, iat= 392, 264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 PHE  HE           17 LEU  HG          4.50    (#    178:25  Unique         4.38, 6.04 A)
 &rst
  ixpk= 178, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 390, 394,
 &end
#
#   26 PHE  HD           17 LEU  HG          7.00    (#    179:25  Unique         6.51, 7.89 A)
 &rst
  ixpk= 179, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 388, 396,
 &end
#
#   77 ASN  HN           75 VAL  HA          4.50    (#    180:25  Unique         3.14, 3.32 A)
 &rst
  ixpk= 180, nxpk= 25, iat=1159,1131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 VAL  HN           75 VAL  HA          4.50    (#    181:25  Unique         2.89, 2.95 A)
 &rst
  ixpk= 181, nxpk= 25, iat=1129,1131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:182      0 AMB  25-1:182    3.50    (#    182:25  Double Ambig)
 &rst
  ixpk= 182, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 936, 662,
 igr2= 938, 612,
 &end
#
#    0 AMB  25-2:183      0 AMB  25-1:183    4.50    (#    183:25  Double Ambig)
 &rst
  ixpk= 183, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 983, 648,
 igr2= 938, 612,
 &end
#
#   40 LEU  HN           40 LEU  HA          3.50    (#    184:25  Unique         2.79, 2.83 A)
 &rst
  ixpk= 184, nxpk= 25, iat= 610, 612, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  104 LEU  HN          104 LEU  MDY         4.50    (#    185:25  Unique         3.65, 4.50 A)
 &rst
  ixpk= 185, nxpk= 25, iat=1578,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#   58 ASP  HN           62 LEU  HG          5.50    (#    186:25  Unique         4.99, 5.49 A)
 &rst
  ixpk= 186, nxpk= 25, iat= 889, 943, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:187     62 LEU  HG          4.50    (#    187:25  Single Ambig)
 &rst
  ixpk= 187, nxpk= 25, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 936, 955,
 &end
#
#   26 PHE  HE           62 LEU  HG          5.50    (#    188:25  Unique         3.99, 6.57 A)
 &rst
  ixpk= 188, nxpk= 25, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 390, 394,
 &end
#
#   14 ALA  HN           62 LEU  HG          5.50    (#    189:25  Unique         5.39, 5.49 A)
 &rst
  ixpk= 189, nxpk= 25, iat= 210, 943, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104 LEU  HN          100 LEU  MDY         5.50    (#    190:25  Unique         3.71, 5.91 A)
 &rst
  ixpk= 190, nxpk= 25, iat=1578,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#   42 THR  HN           41 LEU  MDY         5.50    (#    191:25  Unique         4.83, 5.71 A)
 &rst
  ixpk= 191, nxpk= 25, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   41 LEU  HN           41 LEU  MDY         4.50    (#    192:25  Unique         2.50, 4.28 A)
 &rst
  ixpk= 192, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:193     41 LEU  MDY         4.50    (#    193:25  Single Ambig)
 &rst
  ixpk= 193, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 731, 740, 733, 738,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   54 ASP  HN           53 LEU  HA          5.50    (#    194:25  Unique         3.41, 3.54 A)
 &rst
  ixpk= 194, nxpk= 25, iat= 832, 815, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 LEU  HN           53 LEU  HA          5.50    (#    195:25  Unique         2.80, 3.09 A)
 &rst
  ixpk= 195, nxpk= 25, iat= 859, 815, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 ALA  HN           11 LEU  HA          4.50    (#    196:25  Unique         3.15, 3.27 A)
 &rst
  ixpk= 196, nxpk= 25, iat= 210, 149, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HN           11 LEU  HA          3.50    (#    197:25  Unique         2.84, 2.85 A)
 &rst
  ixpk= 197, nxpk= 25, iat= 147, 149, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 LYS  HN           38 LYS  HG-         5.50    (#    198:25  Unique         2.20, 2.92 A)
 &rst
  ixpk= 198, nxpk= 25, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 578, 579,
 &end
#
#   38 LYS  HN           38 LYS  HG+         5.50    (#    199:25  Unique         2.20, 2.92 A)
 &rst
  ixpk= 199, nxpk= 25, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 578, 579,
 &end
#
#   53 LEU  HN           53 LEU  MDY         4.50    (#    200:25  Unique         2.19, 4.07 A)
 &rst
  ixpk= 200, nxpk= 25, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:201     53 LEU  MDY         4.50    (#    201:25  Single Ambig)
 &rst
  ixpk= 201, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 955, 798,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   26 PHE  HD           53 LEU  MDY         4.50    (#    202:25  Unique         2.16, 5.45 A)
 &rst
  ixpk= 202, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 388, 396,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   27 SER  HN           53 LEU  MDY         5.50    (#    203:25  Unique         2.38, 4.69 A)
 &rst
  ixpk= 203, nxpk= 25, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   58 ASP  HN           56 LEU  MDY         5.50    (#    205:25  Unique         1.87, 4.30 A)
 &rst
  ixpk= 205, nxpk= 25, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#   59 GLY  HN           56 LEU  MDY         5.50    (#    206:25  Unique         3.14, 5.30 A)
 &rst
  ixpk= 206, nxpk= 25, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#   55 GLU  HN           56 LEU  MDY         5.50    (#    207:25  Unique         4.86, 7.00 A)
 &rst
  ixpk= 207, nxpk= 25, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#   56 LEU  HN           56 LEU  MDY         4.50    (#    208:25  Unique         3.44, 5.16 A)
 &rst
  ixpk= 208, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#    0 AMB  25-2:209     56 LEU  MDY         5.50    (#    209:25  Single Ambig)
 &rst
  ixpk= 209, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 936, 798, 955,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#  101 LEU  HN          100 LEU  MDY         5.50    (#    210:25  Unique         4.28, 5.54 A)
 &rst
  ixpk= 210, nxpk= 25, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#    0 AMB  25-2:211    100 LEU  MDY         4.50    (#    211:25  Single Ambig)
 &rst
  ixpk= 211, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1420,1398,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#  100 LEU  HN          100 LEU  MDY         5.50    (#    212:25  Unique         4.57, 5.20 A)
 &rst
  ixpk= 212, nxpk= 25, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#   53 LEU  HN           53 LEU  HA          4.50    (#    213:25  Unique         2.73, 2.77 A)
 &rst
  ixpk= 213, nxpk= 25, iat= 813, 815, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 LEU  HN           17 LEU  HA          4.50    (#    214:25  Unique         2.82, 2.83 A)
 &rst
  ixpk= 214, nxpk= 25, iat= 257, 259, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ALA  HN           17 LEU  HA          5.50    (#    215:25  Unique         3.58, 3.59 A)
 &rst
  ixpk= 215, nxpk= 25, iat= 276, 259, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:216      0 AMB  25-1:216    5.50    (#    216:25  Double Ambig)
 &rst
  ixpk= 216, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 967, 968,1047,
 igr2= 822, 823, 824, 826, 827, 828, 156, 157, 158, 160,
       161, 162,
 &end
#
#  106 ASP  HN          103 LEU  HA          4.50    (#    217:25  Unique         3.31, 3.43 A)
 &rst
  ixpk= 217, nxpk= 25, iat=1614,1561, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103 LEU  HN          103 LEU  HA          3.50    (#    218:25  Unique         2.84, 2.86 A)
 &rst
  ixpk= 218, nxpk= 25, iat=1559,1561, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  104 LEU  HN          104 LEU  HA          4.50    (#    219:25  Unique         2.86, 2.87 A)
 &rst
  ixpk= 219, nxpk= 25, iat=1578,1580, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107 ALA  HN          104 LEU  HA          5.50    (#    220:25  Unique         3.22, 3.37 A)
 &rst
  ixpk= 220, nxpk= 25, iat=1626,1580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  105 GLN  HN          104 LEU  HA          5.50    (#    221:25  Unique         3.57, 3.60 A)
 &rst
  ixpk= 221, nxpk= 25, iat=1597,1580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:222     41 LEU  HA          3.50    (#    222:25  Single Ambig)
 &rst
  ixpk= 222, nxpk= 25, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 629, 702,
 &end
#
#   44 VAL  HN           41 LEU  HA          5.50    (#    223:25  Unique         3.49, 3.58 A)
 &rst
  ixpk= 223, nxpk= 25, iat= 679, 631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   94 LYS  HN           94 LYS  QG          3.50    (#    224:25  Unique         2.25, 2.96 A)
 &rst
  ixpk= 224, nxpk= 25, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1405,1406,
 &end
#
#   50 VAL  HN           49 LYS  HG+         5.50    (#    225:25  Unique         2.15, 2.72 A)
 &rst
  ixpk= 225, nxpk= 25, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 751, 752,
 &end
#
#  103 LEU  HN            0 AMB  25-1:226    4.50    (#    226:25  Single Ambig)
 &rst
  ixpk= 226, nxpk= 25, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1568,1569,1570,1572,1573,1574,1766,1767,1768,1770,
      1771,1772,
 &end
#
#    0 AMB  25-2:227      0 AMB  25-1:227    4.50    (#    227:25  Double Ambig)
 &rst
  ixpk= 227, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=1578,1032, 901, 972, 411,
 igr2=1568,1569,1570,1572,1573,1574, 156, 157, 158, 160,
       161, 162, 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:228      0 AMB  25-1:228    5.50    (#    228:25  Double Ambig)
 &rst
  ixpk= 228, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1058, 859,
 igr2= 156, 157, 158, 160, 161, 162, 822, 823, 824, 826,
       827, 828,
 &end
#
#    0 AMB  25-2:229      0 AMB  25-1:229    4.50    (#    229:25  Double Ambig)
 &rst
  ixpk= 229, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1039,1597,
 igr2= 156, 157, 158, 160, 161, 162,1766,1767,1768,1770,
      1771,1772,
 &end
#
#    0 AMB  25-2:230      0 AMB  25-1:230    4.50    (#    230:25  Double Ambig)
 &rst
  ixpk= 230, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 147, 983,
 igr2= 156, 157, 158, 160, 161, 162, 822, 823, 824, 826,
       827, 828,
 &end
#
#  105 GLN  HE2+        117 LEU  MDX         4.50    (#    231:25  Unique         1.93, 6.83 A)
 &rst
  ixpk= 231, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1609,1610,
 igr2=1766,1767,1768,1770,1771,1772,
 &end
#
#    0 AMB  25-2:232      0 AMB  25-1:232    4.50    (#    232:25  Double Ambig)
 &rst
  ixpk= 232, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1035,1711,1712,
 igr2= 156, 157, 158, 160, 161, 162,1766,1767,1768,1770,
      1771,1772,
 &end
#
#    8 ASP  HN            8 ASP  HA          3.50    (#    233:25  Unique         2.84, 2.85 A)
 &rst
  ixpk= 233, nxpk= 25, iat= 115, 117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 LEU  HN            8 ASP  HA          4.50    (#    234:25  Unique         3.11, 3.26 A)
 &rst
  ixpk= 234, nxpk= 25, iat= 147, 117, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:235      8 ASP  HA          3.50    (#    235:25  Single Ambig)
 &rst
  ixpk= 235, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 127, 137,
 &end
#
#   12 LYS  HN            8 ASP  HA          5.50    (#    236:25  Unique         3.88, 4.02 A)
 &rst
  ixpk= 236, nxpk= 25, iat= 166, 117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ASP  HN            7 LEU  HA          4.50    (#    237:25  Unique         3.59, 3.61 A)
 &rst
  ixpk= 237, nxpk= 25, iat= 115,  98, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 LEU  HN            7 LEU  HA          3.50    (#    238:25  Unique         2.82, 2.84 A)
 &rst
  ixpk= 238, nxpk= 25, iat=  96,  98, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:239      7 LEU  HA          3.50    (#    239:25  Single Ambig)
 &rst
  ixpk= 239, nxpk= 25, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 137, 127,
 &end
#
#   42 THR  HN           41 LEU  HA          5.50    (#    240:25  Unique         3.57, 3.59 A)
 &rst
  ixpk= 240, nxpk= 25, iat= 648, 631, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 VAL  HN           49 LYS  HG-         4.50    (#    241:25  Unique         2.15, 2.72 A)
 &rst
  ixpk= 241, nxpk= 25, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 751, 752,
 &end
#
#   96 GLN  HN           40 LEU  HG          7.00    (#    242:25  Unique         6.43, 6.89 A)
 &rst
  ixpk= 242, nxpk= 25, iat=1437, 617, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  25-2:243     40 LEU  HG          5.50    (#    243:25  Single Ambig)
 &rst
  ixpk= 243, nxpk= 25, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1420, 648,1367,1383,
 &end
#
#   41 LEU  HN           40 LEU  HG          5.50    (#    244:25  Unique         3.93, 4.01 A)
 &rst
  ixpk= 244, nxpk= 25, iat= 629, 617, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:245     40 LEU  HG          4.50    (#    245:25  Single Ambig)
 &rst
  ixpk= 245, nxpk= 25, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 679, 610,
 &end
#
#   95 HIS  HD2          40 LEU  HG          4.50    (#    246:25  Unique         3.14, 4.47 A)
 &rst
  ixpk= 246, nxpk= 25, iat=1433, 617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92 VAL  HN           89 ASP  HA          3.50    (#    247:25  Unique         3.53, 3.55 A)
 &rst
  ixpk= 247, nxpk= 25, iat=1367,1327, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:248      0 AMB  25-1:248    4.50    (#    248:25  Double Ambig)
 &rst
  ixpk= 248, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1507,1337,
 igr2=1509,1327,
 &end
#
#   85 ILE  HN           84 GLN  HA          3.50    (#    249:25  Unique         2.22, 2.25 A)
 &rst
  ixpk= 249, nxpk= 25, iat=1281,1266, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:250     84 GLN  HA          4.50    (#    250:25  Single Ambig)
 &rst
  ixpk= 250, nxpk= 25, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1264,1209,
 &end
#
#   86 GLY  HN           84 GLN  HA          4.50    (#    251:25  Unique         4.05, 4.21 A)
 &rst
  ixpk= 251, nxpk= 25, iat=1300,1266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 PHE  HD           84 GLN  HA          5.50    (#    252:25  Unique         3.16, 3.61 A)
 &rst
  ixpk= 252, nxpk= 25, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1197,1205,
 &end
#
#    0 AMB  25-2:253      0 AMB  25-1:253    5.50    (#    253:25  Double Ambig)
 &rst
  ixpk= 253, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 166,1609,1610,
 igr2= 173, 174,1687,1688,
 &end
#
#   13 LYS  HN            0 AMB  25-1:254    5.50    (#    254:25  Single Ambig)
 &rst
  ixpk= 254, nxpk= 25, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 173, 174, 195, 196,
 &end
#
#   12 LYS  HN           12 LYS  HG-         4.50    (#    255:25  Unique         2.38, 4.14 A)
 &rst
  ixpk= 255, nxpk= 25, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 173, 174,
 &end
#
#   92 VAL  HN           37 VAL  MGY         5.50    (#    256:25  Unique         4.63, 6.54 A)
 &rst
  ixpk= 256, nxpk= 25, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  25-2:257     37 VAL  MGY         4.50    (#    257:25  Single Ambig)
 &rst
  ixpk= 257, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 571, 629,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   37 VAL  HN           37 VAL  MGY         3.50    (#    258:25  Unique         2.24, 3.86 A)
 &rst
  ixpk= 258, nxpk= 25, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#  117 LEU  HN          106 ASP  HA          5.50    (#    259:25  Unique         2.23, 4.62 A)
 &rst
  ixpk= 259, nxpk= 25, iat=1757,1616, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106 ASP  HN          106 ASP  HA          3.50    (#    260:25  Unique         2.82, 2.85 A)
 &rst
  ixpk= 260, nxpk= 25, iat=1614,1616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   88 CYS  HN           76 PRO  QG          5.50    (#    262:25  Unique         2.41, 3.37 A)
 &rst
  ixpk= 262, nxpk= 25, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1149,1150,
 &end
#
#   83 LYS  HN           83 LYS  QG          4.50    (#    263:25  Unique         2.51, 4.14 A)
 &rst
  ixpk= 263, nxpk= 25, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1249,1250,
 &end
#
#    0 AMB  25-2:264     83 LYS  QG          4.50    (#    264:25  Single Ambig)
 &rst
  ixpk= 264, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1264,1209,
 igr2=1249,1250,
 &end
#
#    0 AMB  25-2:265      0 AMB  25-1:265    5.50    (#    265:25  Double Ambig)
 &rst
  ixpk= 265, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  64,1702,
 igr2=  49,  50,1687,1688,
 &end
#
#    7 LEU  HN            4 LYS  HG+         5.50    (#    266:25  Unique         5.25, 5.86 A)
 &rst
  ixpk= 266, nxpk= 25, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  49,  50,
 &end
#
#    7 LEU  HN            4 LYS  HG-         5.50    (#    267:25  Unique         5.25, 5.86 A)
 &rst
  ixpk= 267, nxpk= 25, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  49,  50,
 &end
#
#   88 CYS  HN           37 VAL  MGY         5.50    (#    268:25  Unique         3.80, 5.54 A)
 &rst
  ixpk= 268, nxpk= 25, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   35 ASN  HN           35 ASN  HA          4.50    (#    269:25  Unique         2.82, 2.84 A)
 &rst
  ixpk= 269, nxpk= 25, iat= 517, 519, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 VAL  HN           35 ASN  HA          5.50    (#    270:25  Unique         4.51, 4.63 A)
 &rst
  ixpk= 270, nxpk= 25, iat= 555, 519, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104 LEU  HN          104 LEU  MDX         4.50    (#    271:25  Unique         3.65, 4.50 A)
 &rst
  ixpk= 271, nxpk= 25, iat=1578,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#    0 AMB  25-2:272     40 LEU  MDX         5.50    (#    272:25  Single Ambig)
 &rst
  ixpk= 272, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 674, 675,1449,1450,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   66 LEU  HN           66 LEU  MDY         4.50    (#    273:25  Unique         2.63, 4.21 A)
 &rst
  ixpk= 273, nxpk= 25, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   63 GLN  HN           66 LEU  MDY         5.50    (#    274:25  Unique         4.61, 7.16 A)
 &rst
  ixpk= 274, nxpk= 25, iat= 955,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:275     66 LEU  MDY         4.50    (#    275:25  Single Ambig)
 &rst
  ixpk= 275, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1012,1063,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   77 ASN  HD2+         66 LEU  MDY         5.50    (#    276:25  Unique         2.18, 5.24 A)
 &rst
  ixpk= 276, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1168,1169,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   26 PHE  HD           66 LEU  MDY         4.50    (#    277:25  Unique         2.81, 4.87 A)
 &rst
  ixpk= 277, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 388, 396,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   26 PHE  HZ           66 LEU  MDY         5.50    (#    278:25  Unique         3.67, 5.21 A)
 &rst
  ixpk= 278, nxpk= 25, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   26 PHE  HE           66 LEU  MDY         4.50    (#    279:25  Unique         3.06, 5.08 A)
 &rst
  ixpk= 279, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 394,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   69 TRP  HE3          66 LEU  MDY         5.50    (#    280:25  Unique         2.32, 3.86 A)
 &rst
  ixpk= 280, nxpk= 25, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   55 GLU  HN           55 GLU  HA          3.50    (#    281:25  Unique         2.92, 2.97 A)
 &rst
  ixpk= 281, nxpk= 25, iat= 844, 846, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 LEU  HN           55 GLU  HA          4.50    (#    282:25  Unique         3.23, 3.42 A)
 &rst
  ixpk= 282, nxpk= 25, iat= 859, 846, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:283     35 ASN  HA          4.50    (#    283:25  Single Ambig)
 &rst
  ixpk= 283, nxpk= 25, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 571, 593,
 &end
#
#   53 LEU  HN           53 LEU  MDX         4.50    (#    284:25  Unique         2.19, 4.07 A)
 &rst
  ixpk= 284, nxpk= 25, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   54 ASP  HN           53 LEU  MDX         5.50    (#    285:25  Unique         4.78, 5.88 A)
 &rst
  ixpk= 285, nxpk= 25, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   27 SER  HN           53 LEU  MDX         5.50    (#    286:25  Unique         2.38, 4.69 A)
 &rst
  ixpk= 286, nxpk= 25, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:287     53 LEU  MDX         3.50    (#    287:25  Single Ambig)
 &rst
  ixpk= 287, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 955, 798,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   26 PHE  HD           53 LEU  MDX         3.50    (#    288:25  Unique         2.16, 5.45 A)
 &rst
  ixpk= 288, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 388, 396,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   26 PHE  HE           53 LEU  MDX         4.50    (#    289:25  Unique         3.54, 6.91 A)
 &rst
  ixpk= 289, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 394,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   56 LEU  HN           53 LEU  MDX         5.50    (#    290:25  Unique         4.51, 6.66 A)
 &rst
  ixpk= 290, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#  104 LEU  HN          101 LEU  MDY         5.50    (#    291:25  Unique         4.23, 6.38 A)
 &rst
  ixpk= 291, nxpk= 25, iat=1578,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  101 LEU  HN          101 LEU  MDY         5.50    (#    292:25  Unique         2.62, 4.97 A)
 &rst
  ixpk= 292, nxpk= 25, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  105 GLN  HN          101 LEU  MDY         5.50    (#    293:25  Unique         3.37, 5.82 A)
 &rst
  ixpk= 293, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:295    101 LEU  MDY         4.50    (#    295:25  Single Ambig)
 &rst
  ixpk= 295, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1487,1488,1430,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  105 GLN  HE2-        101 LEU  MDY         5.50    (#    296:25  Unique         1.86, 5.65 A)
 &rst
  ixpk= 296, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1609,1610,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#   14 ALA  HN           11 LEU  MDY         5.50    (#    297:25  Unique         4.76, 6.75 A)
 &rst
  ixpk= 297, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#    8 ASP  HN           11 LEU  MDY         5.50    (#    298:25  Unique         5.98, 7.39 A)
 &rst
  ixpk= 298, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   15 LYS  HN           11 LEU  MDY         5.50    (#    299:25  Unique         3.56, 5.85 A)
 &rst
  ixpk= 299, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   12 LYS  HN           11 LEU  MDY         5.50    (#    300:25  Unique         2.90, 4.77 A)
 &rst
  ixpk= 300, nxpk= 25, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   69 TRP  HN           11 LEU  MDY         4.50    (#    301:25  Unique         4.06, 6.55 A)
 &rst
  ixpk= 301, nxpk= 25, iat=1039,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   11 LEU  HN            0 AMB  25-1:302    3.50    (#    302:25  Single Ambig)
 &rst
  ixpk= 302, nxpk= 25, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 105, 106, 107, 109, 110, 111, 156, 157, 158, 160,
       161, 162,
 &end
#
#   69 TRP  HD1          11 LEU  MDY         5.50    (#    303:25  Unique         2.93, 5.27 A)
 &rst
  ixpk= 303, nxpk= 25, iat=1047,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   69 TRP  HE3          11 LEU  MDY         5.50    (#    304:25  Unique         3.46, 5.97 A)
 &rst
  ixpk= 304, nxpk= 25, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   68 HIS  HD2          11 LEU  MDY         4.50    (#    305:25  Unique         2.15, 4.58 A)
 &rst
  ixpk= 305, nxpk= 25, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   69 TRP  HZ3          11 LEU  MDY         5.50    (#    306:25  Unique         4.77, 7.20 A)
 &rst
  ixpk= 306, nxpk= 25, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   68 HIS  HN            7 LEU  MDX         5.50    (#    307:25  Unique         3.87, 5.61 A)
 &rst
  ixpk= 307, nxpk= 25, iat=1022,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#  105 GLN  HN          104 LEU  MDX         5.50    (#    308:25  Unique         4.85, 5.74 A)
 &rst
  ixpk= 308, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#  107 ALA  HN          104 LEU  MDX         5.50    (#    309:25  Unique         5.15, 7.07 A)
 &rst
  ixpk= 309, nxpk= 25, iat=1626,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#  103 LEU  HN          104 LEU  MDX         5.50    (#    310:25  Unique         5.52, 6.82 A)
 &rst
  ixpk= 310, nxpk= 25, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#    0 AMB  25-2:311     40 LEU  MDX         4.50    (#    311:25  Single Ambig)
 &rst
  ixpk= 311, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1367,1420,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   41 LEU  HN           40 LEU  MDX         5.50    (#    312:25  Unique         3.19, 5.37 A)
 &rst
  ixpk= 312, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:313     40 LEU  MDX         4.50    (#    313:25  Single Ambig)
 &rst
  ixpk= 313, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 610, 679,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   95 HIS  HE1          40 LEU  MDX         5.50    (#    314:25  Unique         4.85, 6.56 A)
 &rst
  ixpk= 314, nxpk= 25, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   95 HIS  HD2          40 LEU  MDX         4.50    (#    315:25  Unique         2.38, 4.23 A)
 &rst
  ixpk= 315, nxpk= 25, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:316     40 LEU  MDX         5.50    (#    316:25  Single Ambig)
 &rst
  ixpk= 316, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 674, 675,1449,1450,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   97 ARG  HN           97 ARG  HA          3.50    (#    317:25  Unique         2.88, 2.91 A)
 &rst
  ixpk= 317, nxpk= 25, iat=1454,1456, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  113 ASN  HN          112 LYS  HA          3.50    (#    318:25  Unique         2.16, 3.34 A)
 &rst
  ixpk= 318, nxpk= 25, iat=1702,1682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 LYS  HN          112 LYS  HA          3.50    (#    319:25  Unique         2.79, 2.89 A)
 &rst
  ixpk= 319, nxpk= 25, iat=1680,1682, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   14 ALA  HN           14 ALA  HA          3.50    (#    320:25  Unique         2.80, 2.83 A)
 &rst
  ixpk= 320, nxpk= 25, iat= 210, 212, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 ALA  HN           14 ALA  HA          5.50    (#    321:25  Unique         3.75, 3.81 A)
 &rst
  ixpk= 321, nxpk= 25, iat= 276, 212, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:322     14 ALA  HA          5.50    (#    322:25  Single Ambig)
 &rst
  ixpk= 322, nxpk= 25, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 220, 242,
 &end
#
#   26 PHE  HZ           14 ALA  HA          5.50    (#    323:25  Unique         3.00, 3.20 A)
 &rst
  ixpk= 323, nxpk= 25, iat= 392, 212, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:324     53 LEU  MDX         5.50    (#    324:25  Single Ambig)
 &rst
  ixpk= 324, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 901, 972, 411,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#  101 LEU  HN          101 LEU  MDX         5.50    (#    327:25  Unique         2.62, 4.97 A)
 &rst
  ixpk= 327, nxpk= 25, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  100 LEU  HN          101 LEU  MDX         5.50    (#    328:25  Unique         4.41, 7.41 A)
 &rst
  ixpk= 328, nxpk= 25, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:329    101 LEU  MDX         5.50    (#    329:25  Single Ambig)
 &rst
  ixpk= 329, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1487,1488,1430,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  105 GLN  HE2+        101 LEU  MDX         4.50    (#    330:25  Unique         1.86, 5.65 A)
 &rst
  ixpk= 330, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1609,1610,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  105 GLN  HE2-        101 LEU  MDX         4.50    (#    331:25  Unique         1.86, 5.65 A)
 &rst
  ixpk= 331, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1609,1610,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#   14 ALA  HN           62 LEU  MDY         3.50    (#    332:25  Unique         3.02, 4.27 A)
 &rst
  ixpk= 332, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:333     62 LEU  MDY         5.50    (#    333:25  Single Ambig)
 &rst
  ixpk= 333, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 983, 147,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:334     62 LEU  MDY         5.50    (#    334:25  Single Ambig)
 &rst
  ixpk= 334, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 220, 242,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   12 LYS  HN           62 LEU  MDY         5.50    (#    335:25  Unique         6.18, 7.50 A)
 &rst
  ixpk= 335, nxpk= 25, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   66 LEU  HN           62 LEU  MDY         5.50    (#    337:25  Unique         3.44, 5.73 A)
 &rst
  ixpk= 337, nxpk= 25, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   62 LEU  HN           62 LEU  MDY         4.50    (#    338:25  Unique         2.40, 4.70 A)
 &rst
  ixpk= 338, nxpk= 25, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:339     62 LEU  MDY         5.50    (#    339:25  Single Ambig)
 &rst
  ixpk= 339, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 901, 137, 972,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   13 LYS  HN           62 LEU  MDY         4.50    (#    340:25  Unique         4.56, 5.93 A)
 &rst
  ixpk= 340, nxpk= 25, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   26 PHE  HD           62 LEU  MDY         5.50    (#    341:25  Unique         2.97, 7.16 A)
 &rst
  ixpk= 341, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 388, 396,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   26 PHE  HZ           62 LEU  MDY         5.50    (#    342:25  Unique         4.18, 6.50 A)
 &rst
  ixpk= 342, nxpk= 25, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   26 PHE  HE           62 LEU  MDY         4.50    (#    343:25  Unique         2.48, 6.56 A)
 &rst
  ixpk= 343, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 394,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   69 TRP  HZ3          62 LEU  MDY         5.50    (#    344:25  Unique         5.40, 7.18 A)
 &rst
  ixpk= 344, nxpk= 25, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:345     11 LEU  MDY         5.50    (#    345:25  Single Ambig)
 &rst
  ixpk= 345, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 188,1052,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   14 ALA  HN           11 LEU  MDY         5.50    (#    346:25  Unique         4.76, 6.75 A)
 &rst
  ixpk= 346, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#    8 ASP  HN            7 LEU  MDX         5.50    (#    347:25  Unique         3.28, 5.31 A)
 &rst
  ixpk= 347, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#   99 GLU  HN           99 GLU  HA          4.50    (#    348:25  Unique         2.96, 2.98 A)
 &rst
  ixpk= 348, nxpk= 25, iat=1492,1494, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  116 GLN  HN          116 GLN  HA          4.50    (#    349:25  Unique         2.18, 2.65 A)
 &rst
  ixpk= 349, nxpk= 25, iat=1740,1742, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105 GLN  HN          101 LEU  MDX         5.50    (#    350:25  Unique         3.37, 5.82 A)
 &rst
  ixpk= 350, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#   69 TRP  HE3          62 LEU  MDY         5.50    (#    351:25  Unique         5.41, 7.27 A)
 &rst
  ixpk= 351, nxpk= 25, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#  117 LEU  HN          116 GLN  HA          3.50    (#    352:25  Unique         2.15, 2.65 A)
 &rst
  ixpk= 352, nxpk= 25, iat=1757,1742, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 LEU  HN            7 LEU  MDY         4.50    (#    353:25  Unique         4.53, 5.14 A)
 &rst
  ixpk= 353, nxpk= 25, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    0 AMB  25-2:354      7 LEU  MDY         5.50    (#    354:25  Single Ambig)
 &rst
  ixpk= 354, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1032, 137, 972,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    8 ASP  HN            7 LEU  MDY         5.50    (#    355:25  Unique         3.28, 5.31 A)
 &rst
  ixpk= 355, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    0 AMB  25-2:356     65 ALA  HA          5.50    (#    356:25  Single Ambig)
 &rst
  ixpk= 356, nxpk= 25, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 993,1039,
 &end
#
#    0 AMB  25-2:357      0 AMB  25-1:357    3.50    (#    357:25  Double Ambig)
 &rst
  ixpk= 357, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 983, 147,1012,
 igr2= 985, 139,
 &end
#
#   68 HIS  HN           65 ALA  HA          4.50    (#    358:25  Unique         3.36, 3.49 A)
 &rst
  ixpk= 358, nxpk= 25, iat=1022, 985, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 ALA  HN           18 ALA  HA          4.50    (#    359:25  Unique         2.78, 2.81 A)
 &rst
  ixpk= 359, nxpk= 25, iat= 276, 278, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 PHE  HZ           18 ALA  HA          4.50    (#    360:25  Unique         3.08, 3.27 A)
 &rst
  ixpk= 360, nxpk= 25, iat= 392, 278, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 PHE  HE           18 ALA  HA          4.50    (#    361:25  Unique         2.96, 4.32 A)
 &rst
  ixpk= 361, nxpk= 25, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 390, 394,
 &end
#
#   68 HIS  HD2           7 LEU  MDY         5.50    (#    363:25  Unique         3.40, 5.07 A)
 &rst
  ixpk= 363, nxpk= 25, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#   11 LEU  HN            9 ALA  HA          5.50    (#    364:25  Unique         4.38, 4.45 A)
 &rst
  ixpk= 364, nxpk= 25, iat= 147, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:365      9 ALA  HA          3.50    (#    365:25  Single Ambig)
 &rst
  ixpk= 365, nxpk= 25, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 127, 137,
 &end
#
#   12 LYS  HN            9 ALA  HA          4.50    (#    366:25  Unique         3.21, 3.31 A)
 &rst
  ixpk= 366, nxpk= 25, iat= 166, 129, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:367     67 ALA  HA          3.50    (#    367:25  Single Ambig)
 &rst
  ixpk= 367, nxpk= 25, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1012,1063,
 &end
#
#   68 HIS  HN           67 ALA  HA          5.50    (#    368:25  Unique         3.56, 3.57 A)
 &rst
  ixpk= 368, nxpk= 25, iat=1022,1014, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:369     67 ALA  HA          4.50    (#    369:25  Single Ambig)
 &rst
  ixpk= 369, nxpk= 25, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1084,1077,
 &end
#
#    0 AMB  25-2:370     50 VAL  MGX         4.50    (#    370:25  Single Ambig)
 &rst
  ixpk= 370, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 364, 380,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   50 VAL  HN           50 VAL  MGX         3.50    (#    371:25  Unique         2.49, 4.13 A)
 &rst
  ixpk= 371, nxpk= 25, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#    0 AMB  25-2:372     50 VAL  MGX         4.50    (#    372:25  Single Ambig)
 &rst
  ixpk= 372, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 782, 798,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   38 LYS  HN           50 VAL  MGX         5.50    (#    373:25  Unique         5.33, 6.84 A)
 &rst
  ixpk= 373, nxpk= 25, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#    0 AMB  25-2:375     50 VAL  MGX         2.50    (#    375:25  Single Ambig)
 &rst
  ixpk= 375, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 733, 738, 731, 740,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   96 GLN  HN           92 VAL  MGY         5.50    (#    376:25  Unique         4.49, 6.01 A)
 &rst
  ixpk= 376, nxpk= 25, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#    0 AMB  25-2:377     92 VAL  MGY         2.50    (#    377:25  Single Ambig)
 &rst
  ixpk= 377, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1367,1383,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   91 VAL  HN           92 VAL  MGY         4.50    (#    378:25  Unique         4.45, 6.28 A)
 &rst
  ixpk= 378, nxpk= 25, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   85 ILE  HN           78 VAL  MGX         5.50    (#    379:25  Unique         4.58, 6.06 A)
 &rst
  ixpk= 379, nxpk= 25, iat=1281,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   38 LYS  HN           78 VAL  MGX         5.50    (#    380:25  Unique         6.68, 7.73 A)
 &rst
  ixpk= 380, nxpk= 25, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   86 GLY  HN           91 VAL  MGY         5.50    (#    382:25  Unique         4.44, 6.47 A)
 &rst
  ixpk= 382, nxpk= 25, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   78 VAL  HN           91 VAL  MGY         5.50    (#    383:25  Unique         5.03, 6.44 A)
 &rst
  ixpk= 383, nxpk= 25, iat=1173,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  25-2:384      0 AMB  25-1:384    3.50    (#    384:25  Double Ambig)
 &rst
  ixpk= 384, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1367,1420,
 igr2=1357,1358,1359,1361,1362,1363,1516,1517,1518,1520,
      1521,1522,
 &end
#
#   91 VAL  HN           91 VAL  MGY         3.50    (#    385:25  Unique         2.08, 3.15 A)
 &rst
  ixpk= 385, nxpk= 25, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  25-2:386     66 LEU  MDX         4.50    (#    386:25  Single Ambig)
 &rst
  ixpk= 386, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1012,1063,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   26 PHE  HD           66 LEU  MDX         4.50    (#    387:25  Unique         2.81, 4.87 A)
 &rst
  ixpk= 387, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 388, 396,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:388     66 LEU  MDX         4.50    (#    388:25  Single Ambig)
 &rst
  ixpk= 388, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1276,1277, 392,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   79 PHE  HE           66 LEU  MDX         3.50    (#    389:25  Unique         2.27, 5.42 A)
 &rst
  ixpk= 389, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1199,1203,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   69 TRP  HZ3          66 LEU  MDX         4.50    (#    390:25  Unique         3.02, 4.29 A)
 &rst
  ixpk= 390, nxpk= 25, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   66 LEU  HN           66 LEU  MDX         3.50    (#    391:25  Unique         2.63, 4.21 A)
 &rst
  ixpk= 391, nxpk= 25, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   77 ASN  HD2+         66 LEU  MDX         4.50    (#    392:25  Unique         2.18, 5.24 A)
 &rst
  ixpk= 392, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1168,1169,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   69 TRP  HE3          66 LEU  MDX         3.50    (#    393:25  Unique         2.32, 3.86 A)
 &rst
  ixpk= 393, nxpk= 25, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   13 LYS  HN            9 ALA  HA          5.50    (#    394:25  Unique         3.96, 4.07 A)
 &rst
  ixpk= 394, nxpk= 25, iat= 188, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 TYR  HD           23 VAL  MGX         5.50    (#    395:25  Unique         4.14, 6.15 A)
 &rst
  ixpk= 395, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 731, 740,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   79 PHE  HN           78 VAL  MGX         4.50    (#    396:25  Unique         2.53, 4.12 A)
 &rst
  ixpk= 396, nxpk= 25, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  25-2:397      0 AMB  25-1:397    2.50    (#    397:25  Double Ambig)
 &rst
  ixpk= 397, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1173, 348,
 igr2=1179,1180,1181,1183,1184,1185, 338, 339, 340, 342,
       343, 344,
 &end
#
#    0 AMB  25-2:398      0 AMB  25-1:398    4.50    (#    398:25  Double Ambig)
 &rst
  ixpk= 398, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1159, 744,1209,
 igr2=1179,1180,1181,1183,1184,1185, 338, 339, 340, 342,
       343, 344,
 &end
#
#    0 AMB  25-2:399     78 VAL  MGX         5.50    (#    399:25  Single Ambig)
 &rst
  ixpk= 399, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1307,1337,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   91 VAL  HN           78 VAL  MGX         4.50    (#    400:25  Unique         4.32, 6.00 A)
 &rst
  ixpk= 400, nxpk= 25, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   53 LEU  HN            0 AMB  25-1:402    5.50    (#    402:25  Single Ambig)
 &rst
  ixpk= 402, nxpk= 25, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 868, 869, 870, 872, 873, 874, 772, 773, 774, 776,
       777, 778,
 &end
#
#   57 SER  HN           56 LEU  MDX         5.50    (#    403:25  Unique         2.17, 4.29 A)
 &rst
  ixpk= 403, nxpk= 25, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#    0 AMB  25-2:404      0 AMB  25-1:404    4.50    (#    404:25  Double Ambig)
 &rst
  ixpk= 404, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1626, 844,
 igr2=1568,1569,1570,1572,1573,1574, 868, 869, 870, 872,
       873, 874,
 &end
#
#   56 LEU  HN           56 LEU  MDX         4.50    (#    405:25  Unique         3.44, 5.16 A)
 &rst
  ixpk= 405, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#    0 AMB  25-2:406      0 AMB  25-1:406    5.50    (#    406:25  Double Ambig)
 &rst
  ixpk= 406, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1614, 571,
 igr2=1568,1569,1570,1572,1573,1574, 772, 773, 774, 776,
       777, 778,
 &end
#
#    0 AMB  25-2:407      0 AMB  25-1:407    4.50    (#    407:25  Double Ambig)
 &rst
  ixpk= 407, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 901,1578,
 igr2= 868, 869, 870, 872, 873, 874,1568,1569,1570,1572,
      1573,1574,
 &end
#
#  103 LEU  HN          103 LEU  MDX         4.50    (#    408:25  Unique         3.86, 5.18 A)
 &rst
  ixpk= 408, nxpk= 25, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1568,1569,1570,1572,1573,1574,
 &end
#
#   18 ALA  HN           17 LEU  MDX         5.50    (#    409:25  Unique         4.81, 5.66 A)
 &rst
  ixpk= 409, nxpk= 25, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#    0 AMB  25-2:411      0 AMB  25-1:411    4.50    (#    411:25  Double Ambig)
 &rst
  ixpk= 411, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1337,1307,1507,
 igr2=1357,1358,1359,1361,1362,1363,1516,1517,1518,1520,
      1521,1522,
 &end
#
#   95 HIS  HE1         100 LEU  MDX         5.50    (#    412:25  Unique         4.67, 7.53 A)
 &rst
  ixpk= 412, nxpk= 25, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#   14 ALA  HN           10 ALA  HA          5.50    (#    414:25  Unique         3.81, 3.91 A)
 &rst
  ixpk= 414, nxpk= 25, iat= 210, 139, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   10 ALA  HN           10 ALA  HA          3.50    (#    415:25  Unique         2.84, 2.85 A)
 &rst
  ixpk= 415, nxpk= 25, iat= 137, 139, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HN           10 ALA  HA          4.50    (#    416:25  Unique         3.12, 3.33 A)
 &rst
  ixpk= 416, nxpk= 25, iat= 188, 139, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:417     90 THR  MG2         4.50    (#    417:25  Single Ambig)
 &rst
  ixpk= 417, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1398,1383,1367,
 igr2=1343,1344,1345,
 &end
#
#    0 AMB  25-2:418     90 THR  MG2         4.50    (#    418:25  Single Ambig)
 &rst
  ixpk= 418, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1307,1337,
 igr2=1343,1344,1345,
 &end
#
#   91 VAL  HN           90 THR  MG2         4.50    (#    419:25  Unique         3.99, 4.61 A)
 &rst
  ixpk= 419, nxpk= 25, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1343,1344,1345,
 &end
#
#   86 GLY  HN           90 THR  MG2         5.50    (#    420:25  Unique         4.51, 5.47 A)
 &rst
  ixpk= 420, nxpk= 25, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1343,1344,1345,
 &end
#
#    0 AMB  25-2:421     23 VAL  MGX         5.50    (#    421:25  Single Ambig)
 &rst
  ixpk= 421, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1646, 702,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   23 VAL  HN           23 VAL  MGX         3.50    (#    422:25  Unique         3.09, 4.35 A)
 &rst
  ixpk= 422, nxpk= 25, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   83 LYS  HN          103 LEU  MDX         5.50    (#    424:25  Unique         5.72, 7.59 A)
 &rst
  ixpk= 424, nxpk= 25, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1568,1569,1570,1572,1573,1574,
 &end
#
#   26 PHE  HE           24 VAL  MGY         5.50    (#    425:25  Unique         3.36, 5.56 A)
 &rst
  ixpk= 425, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 390, 394,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:426     50 VAL  MGY         3.50    (#    426:25  Single Ambig)
 &rst
  ixpk= 426, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 782, 798,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#    0 AMB  25-2:427     50 VAL  MGY         4.50    (#    427:25  Single Ambig)
 &rst
  ixpk= 427, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 733, 738, 731, 740,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   26 PHE  HZ           17 LEU  MDX         4.50    (#    428:25  Unique         3.97, 5.37 A)
 &rst
  ixpk= 428, nxpk= 25, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#   26 PHE  HE           17 LEU  MDX         5.50    (#    429:25  Unique         2.37, 5.80 A)
 &rst
  ixpk= 429, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 390, 394,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#   17 LEU  HN           17 LEU  MDX         3.50    (#    430:25  Unique         3.49, 4.46 A)
 &rst
  ixpk= 430, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#   26 PHE  HD           17 LEU  MDX         5.50    (#    431:25  Unique         3.77, 7.12 A)
 &rst
  ixpk= 431, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 388, 396,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#   27 SER  HN           75 VAL  MGY         5.50    (#    432:25  Unique         3.86, 5.77 A)
 &rst
  ixpk= 432, nxpk= 25, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   53 LEU  HN           75 VAL  MGY         5.50    (#    433:25  Unique         4.28, 6.43 A)
 &rst
  ixpk= 433, nxpk= 25, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  25-2:434      0 AMB  25-1:434    5.50    (#    434:25  Double Ambig)
 &rst
  ixpk= 434, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1526,1189,
 igr2=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   50 VAL  HN           49 LYS  HA          2.50    (#    435:25  Unique         2.29, 2.35 A)
 &rst
  ixpk= 435, nxpk= 25, iat= 766, 746, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  25-2:436     24 VAL  MGY         2.50    (#    436:25  Single Ambig)
 &rst
  ixpk= 436, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 364, 348, 380,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   20 SER  HN           24 VAL  MGY         4.50    (#    437:25  Unique         2.86, 4.82 A)
 &rst
  ixpk= 437, nxpk= 25, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:438     24 VAL  MGY         3.50    (#    438:25  Single Ambig)
 &rst
  ixpk= 438, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 308, 332,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:439     24 VAL  MGY         5.50    (#    439:25  Single Ambig)
 &rst
  ixpk= 439, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 286,1197,1205,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   50 VAL  HN           50 VAL  MGY         3.50    (#    440:25  Unique         2.49, 4.13 A)
 &rst
  ixpk= 440, nxpk= 25, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   77 ASN  HN           75 VAL  MGY         4.50    (#    441:25  Unique         3.46, 5.75 A)
 &rst
  ixpk= 441, nxpk= 25, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   63 GLN  HE2-         75 VAL  MGY         5.50    (#    442:25  Unique         2.78, 5.57 A)
 &rst
  ixpk= 442, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 967, 968,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   79 PHE  HN           24 VAL  MGY         5.50    (#    445:25  Unique         4.85, 5.78 A)
 &rst
  ixpk= 445, nxpk= 25, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   92 VAL  HN           91 VAL  MGX         3.50    (#    446:25  Unique         2.52, 4.25 A)
 &rst
  ixpk= 446, nxpk= 25, iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  25-2:447     37 VAL  MGX         3.50    (#    447:25  Single Ambig)
 &rst
  ixpk= 447, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 571, 629,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   91 VAL  HN           91 VAL  MGX         3.50    (#    448:25  Unique         2.08, 3.15 A)
 &rst
  ixpk= 448, nxpk= 25, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   42 THR  HN           41 LEU  MDX         5.50    (#    450:25  Unique         4.83, 5.71 A)
 &rst
  ixpk= 450, nxpk= 25, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   41 LEU  HN           41 LEU  MDX         3.50    (#    451:25  Unique         2.50, 4.28 A)
 &rst
  ixpk= 451, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:452     41 LEU  MDX         5.50    (#    452:25  Single Ambig)
 &rst
  ixpk= 452, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 610, 723, 679,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:453     41 LEU  MDX         4.50    (#    453:25  Single Ambig)
 &rst
  ixpk= 453, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 731, 740, 733, 738,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   54 ASP  HN           29 THR  MG2         5.50    (#    454:25  Unique         3.31, 4.75 A)
 &rst
  ixpk= 454, nxpk= 25, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 439, 440, 441,
 &end
#
#   29 THR  HN           29 THR  MG2         4.50    (#    455:25  Unique         2.40, 3.32 A)
 &rst
  ixpk= 455, nxpk= 25, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 439, 440, 441,
 &end
#
#   52 GLU  HN           29 THR  MG2         5.50    (#    456:25  Unique         5.53, 6.27 A)
 &rst
  ixpk= 456, nxpk= 25, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 439, 440, 441,
 &end
#
#  105 GLN  HN          110 THR  MG2         5.50    (#    457:25  Unique         3.78, 5.33 A)
 &rst
  ixpk= 457, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1662,1663,1664,
 &end
#
#  110 THR  HN          110 THR  MG2         3.50    (#    458:25  Unique         2.49, 3.64 A)
 &rst
  ixpk= 458, nxpk= 25, iat=1656,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1662,1663,1664,
 &end
#
#  105 GLN  HE2+        110 THR  MG2         7.00    (#    459:25  Unique         2.45, 6.59 A)
 &rst
  ixpk= 459, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1609,1610,
 igr2=1662,1663,1664,
 &end
#
#    0 AMB  25-2:460    110 THR  MG2         5.50    (#    460:25  Single Ambig)
 &rst
  ixpk= 460, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 712,1702,
 igr2=1662,1663,1664,
 &end
#
#    0 AMB  25-2:461    108 ALA  HA          5.50    (#    461:25  Single Ambig)
 &rst
  ixpk= 461, nxpk= 25, iat=  -1,1638, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1609,1610,1626,
 &end
#
#    0 AMB  25-2:462     42 THR  MG2         5.50    (#    462:25  Single Ambig)
 &rst
  ixpk= 462, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 702, 629,
 igr2= 654, 655, 656,
 &end
#
#   43 GLN  HN           42 THR  MG2         4.50    (#    463:25  Unique         3.71, 4.48 A)
 &rst
  ixpk= 463, nxpk= 25, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 654, 655, 656,
 &end
#
#   42 THR  HN           42 THR  MG2         4.50    (#    464:25  Unique         4.44, 4.52 A)
 &rst
  ixpk= 464, nxpk= 25, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 654, 655, 656,
 &end
#
#    0 AMB  25-2:465     42 THR  MG2         5.50    (#    465:25  Single Ambig)
 &rst
  ixpk= 465, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 695, 679,
 igr2= 654, 655, 656,
 &end
#
#   48 TYR  HE           42 THR  MG2         5.50    (#    466:25  Unique         3.98, 6.49 A)
 &rst
  ixpk= 466, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 733, 738,
 igr2= 654, 655, 656,
 &end
#
#   75 VAL  HN           74 THR  MG2         3.50    (#    467:25  Unique         2.25, 4.21 A)
 &rst
  ixpk= 467, nxpk= 25, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1121,1122,1123,
 &end
#
#    0 AMB  25-2:468     74 THR  MG2         5.50    (#    468:25  Single Ambig)
 &rst
  ixpk= 468, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1097, 967, 968,
 igr2=1121,1122,1123,
 &end
#
#   74 THR  HN           74 THR  MG2         4.50    (#    469:25  Unique         2.50, 3.63 A)
 &rst
  ixpk= 469, nxpk= 25, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1121,1122,1123,
 &end
#
#    0 AMB  25-2:470     51 VAL  MGY         3.50    (#    470:25  Single Ambig)
 &rst
  ixpk= 470, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 782, 798,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   26 PHE  HD           51 VAL  MGY         3.50    (#    471:25  Unique         2.52, 5.49 A)
 &rst
  ixpk= 471, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 388, 396,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   26 PHE  HE           51 VAL  MGY         3.50    (#    472:25  Unique         2.41, 5.55 A)
 &rst
  ixpk= 472, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 390, 394,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   79 PHE  HN           23 VAL  MGY         5.50    (#    473:25  Unique         4.04, 5.94 A)
 &rst
  ixpk= 473, nxpk= 25, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#  107 ALA  HN          107 ALA  HA          3.50    (#    478:25  Unique         2.87, 2.90 A)
 &rst
  ixpk= 478, nxpk= 25, iat=1626,1628, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  109 ALA  HN          108 ALA  HA          3.50    (#    479:25  Unique         2.85, 2.92 A)
 &rst
  ixpk= 479, nxpk= 25, iat=1646,1638, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  108 ALA  HN          108 ALA  HA          2.50    (#    480:25  Unique         2.20, 2.21 A)
 &rst
  ixpk= 480, nxpk= 25, iat=1636,1638, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  110 THR  HN          108 ALA  HA          5.50    (#    481:25  Unique         2.94, 3.41 A)
 &rst
  ixpk= 481, nxpk= 25, iat=1656,1638, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90 THR  HN           92 VAL  MGX         5.50    (#    482:25  Unique         4.69, 7.07 A)
 &rst
  ixpk= 482, nxpk= 25, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   24 VAL  HN           23 VAL  MGY         3.50    (#    484:25  Unique         2.78, 4.22 A)
 &rst
  ixpk= 484, nxpk= 25, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  25-2:485     23 VAL  MGY         4.50    (#    485:25  Single Ambig)
 &rst
  ixpk= 485, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 744,1209,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   23 VAL  HN           23 VAL  MGY         4.50    (#    486:25  Unique         3.09, 4.35 A)
 &rst
  ixpk= 486, nxpk= 25, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   48 TYR  HD           23 VAL  MGY         4.50    (#    487:25  Unique         4.14, 6.15 A)
 &rst
  ixpk= 487, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 731, 740,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  25-2:488     25 VAL  MGY         5.50    (#    488:25  Single Ambig)
 &rst
  ixpk= 488, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1159, 744,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:489     70 THR  MG2         4.50    (#    489:25  Single Ambig)
 &rst
  ixpk= 489, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1039,1264,
 igr2=1069,1070,1071,
 &end
#
#   70 THR  HN           70 THR  MG2         3.50    (#    490:25  Unique         2.32, 3.32 A)
 &rst
  ixpk= 490, nxpk= 25, iat=1063,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1069,1070,1071,
 &end
#
#   77 ASN  HD2+         70 THR  MG2         3.50    (#    491:25  Unique         2.11, 4.12 A)
 &rst
  ixpk= 491, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1168,1169,
 igr2=1069,1070,1071,
 &end
#
#   84 GLN  HE2+         70 THR  MG2         4.50    (#    492:25  Unique         2.70, 4.80 A)
 &rst
  ixpk= 492, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1276,1277,
 igr2=1069,1070,1071,
 &end
#
#   69 TRP  HE3          70 THR  MG2         4.50    (#    493:25  Unique         3.02, 4.16 A)
 &rst
  ixpk= 493, nxpk= 25, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1069,1070,1071,
 &end
#
#   79 PHE  HE           70 THR  MG2         4.50    (#    494:25  Unique         2.67, 4.33 A)
 &rst
  ixpk= 494, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1199,1203,
 igr2=1069,1070,1071,
 &end
#
#   84 GLN  HE2-         70 THR  MG2         5.50    (#    495:25  Unique         2.70, 4.80 A)
 &rst
  ixpk= 495, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1276,1277,
 igr2=1069,1070,1071,
 &end
#
#   69 TRP  HZ3          70 THR  MG2         5.50    (#    496:25  Unique         4.43, 5.24 A)
 &rst
  ixpk= 496, nxpk= 25, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1069,1070,1071,
 &end
#
#   47 SER  HN          109 ALA  HA          5.50    (#    497:25  Unique         3.19, 3.45 A)
 &rst
  ixpk= 497, nxpk= 25, iat= 712,1648, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  109 ALA  HN          109 ALA  HA          3.50    (#    498:25  Unique         2.84, 2.90 A)
 &rst
  ixpk= 498, nxpk= 25, iat=1646,1648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  110 THR  HN          109 ALA  HA          4.50    (#    499:25  Unique         3.46, 3.56 A)
 &rst
  ixpk= 499, nxpk= 25, iat=1656,1648, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  108 ALA  HN          107 ALA  HA          4.50    (#    500:25  Unique         3.29, 3.33 A)
 &rst
  ixpk= 500, nxpk= 25, iat=1636,1628, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:501     92 VAL  MGX         3.50    (#    501:25  Single Ambig)
 &rst
  ixpk= 501, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1367,1383,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   96 GLN  HE2+         92 VAL  MGX         4.50    (#    502:25  Unique         2.30, 5.93 A)
 &rst
  ixpk= 502, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1449,1450,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   37 VAL  HN           92 VAL  MGX         5.50    (#    503:25  Unique         5.65, 7.67 A)
 &rst
  ixpk= 503, nxpk= 25, iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   42 THR  HN           44 VAL  MGY         5.50    (#    504:25  Unique         4.60, 6.62 A)
 &rst
  ixpk= 504, nxpk= 25, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   44 VAL  HN           44 VAL  MGY         2.50    (#    505:25  Unique         1.91, 3.29 A)
 &rst
  ixpk= 505, nxpk= 25, iat= 679,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   95 HIS  HE1          44 VAL  MGY         4.50    (#    506:25  Unique         2.43, 4.25 A)
 &rst
  ixpk= 506, nxpk= 25, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#    0 AMB  25-2:507     25 VAL  MGY         3.50    (#    507:25  Single Ambig)
 &rst
  ixpk= 507, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 364, 380,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   48 TYR  HD           25 VAL  MGY         3.50    (#    508:25  Unique         2.61, 6.31 A)
 &rst
  ixpk= 508, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 731, 740,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   47 SER  HN           46 ALA  MB          3.50    (#    509:25  Unique         2.69, 3.69 A)
 &rst
  ixpk= 509, nxpk= 25, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 706, 707, 708,
 &end
#
#    0 AMB  25-2:510     46 ALA  MB          4.50    (#    510:25  Single Ambig)
 &rst
  ixpk= 510, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 723, 695, 679,
 igr2= 706, 707, 708,
 &end
#
#   43 GLN  HN           44 VAL  MGY         5.50    (#    511:25  Unique         4.06, 5.65 A)
 &rst
  ixpk= 511, nxpk= 25, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   95 HIS  HD2          44 VAL  MGY         5.50    (#    512:25  Unique         5.14, 7.07 A)
 &rst
  ixpk= 512, nxpk= 25, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#    0 AMB  25-2:513     25 VAL  MGX         5.50    (#    513:25  Single Ambig)
 &rst
  ixpk= 513, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 571, 629,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   48 TYR  HD           25 VAL  MGX         4.50    (#    514:25  Unique         2.61, 6.31 A)
 &rst
  ixpk= 514, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 731, 740,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:515     25 VAL  MGX         2.50    (#    515:25  Single Ambig)
 &rst
  ixpk= 515, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 364, 380,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:516      0 AMB  25-1:516    4.50    (#    516:25  Double Ambig)
 &rst
  ixpk= 516, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1159, 744,
 igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   51 VAL  HN           25 VAL  MGX         5.50    (#    517:25  Unique         4.25, 5.82 A)
 &rst
  ixpk= 517, nxpk= 25, iat= 782,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   26 PHE  HD           25 VAL  MGX         5.50    (#    518:25  Unique         5.59, 7.90 A)
 &rst
  ixpk= 518, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 388, 396,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#  111 ALA  HN          111 ALA  HA          3.50    (#    519:25  Unique         2.20, 2.67 A)
 &rst
  ixpk= 519, nxpk= 25, iat=1670,1672, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  112 LYS  HN          111 ALA  HA          3.50    (#    520:25  Unique         2.11, 2.95 A)
 &rst
  ixpk= 520, nxpk= 25, iat=1680,1672, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:523     21 ALA  MB          2.50    (#    523:25  Single Ambig)
 &rst
  ixpk= 523, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 332, 308,
 igr2= 312, 313, 314,
 &end
#
#    0 AMB  25-2:524     21 ALA  MB          5.50    (#    524:25  Single Ambig)
 &rst
  ixpk= 524, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 348, 364,
 igr2= 312, 313, 314,
 &end
#
#   49 LYS  HN           21 ALA  MB          4.50    (#    525:25  Unique         3.21, 3.78 A)
 &rst
  ixpk= 525, nxpk= 25, iat= 744,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 312, 313, 314,
 &end
#
#   20 SER  HN           21 ALA  MB          5.50    (#    526:25  Unique         4.82, 5.58 A)
 &rst
  ixpk= 526, nxpk= 25, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 312, 313, 314,
 &end
#
#   46 ALA  HN           46 ALA  MB          2.50    (#    527:25  Unique         2.40, 2.90 A)
 &rst
  ixpk= 527, nxpk= 25, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 706, 707, 708,
 &end
#
#   48 TYR  HD           46 ALA  MB          3.50    (#    528:25  Unique         2.45, 5.67 A)
 &rst
  ixpk= 528, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 731, 740,
 igr2= 706, 707, 708,
 &end
#
#   79 PHE  HD           78 VAL  MGY         5.50    (#    529:25  Unique         5.12, 7.55 A)
 &rst
  ixpk= 529, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1197,1205,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   79 PHE  HN           78 VAL  MGY         3.50    (#    530:25  Unique         2.53, 4.12 A)
 &rst
  ixpk= 530, nxpk= 25, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   86 GLY  HN           78 VAL  MGY         5.50    (#    531:25  Unique         4.21, 5.42 A)
 &rst
  ixpk= 531, nxpk= 25, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  25-2:532     24 VAL  MGX         3.50    (#    532:25  Single Ambig)
 &rst
  ixpk= 532, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 364, 380,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   26 PHE  HD           24 VAL  MGX         4.50    (#    533:25  Unique         3.65, 6.51 A)
 &rst
  ixpk= 533, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 388, 396,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:534     24 VAL  MGX         4.50    (#    534:25  Single Ambig)
 &rst
  ixpk= 534, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 308, 392,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   26 PHE  HE           24 VAL  MGX         3.50    (#    535:25  Unique         3.36, 5.56 A)
 &rst
  ixpk= 535, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 390, 394,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:537     24 VAL  MGX         4.50    (#    537:25  Single Ambig)
 &rst
  ixpk= 537, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 744, 276,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   47 SER  HN          109 ALA  MB          4.50    (#    538:25  Unique         2.53, 3.88 A)
 &rst
  ixpk= 538, nxpk= 25, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1650,1651,1652,
 &end
#
#  109 ALA  HN          109 ALA  MB          3.50    (#    539:25  Unique         2.40, 2.87 A)
 &rst
  ixpk= 539, nxpk= 25, iat=1646,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1650,1651,1652,
 &end
#
#    0 AMB  25-2:540    109 ALA  MB          5.50    (#    540:25  Single Ambig)
 &rst
  ixpk= 540, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1636,1578,
 igr2=1650,1651,1652,
 &end
#
#  110 THR  HN          109 ALA  MB          4.50    (#    541:25  Unique         2.39, 3.59 A)
 &rst
  ixpk= 541, nxpk= 25, iat=1656,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1650,1651,1652,
 &end
#
#  107 ALA  HN          109 ALA  MB          5.50    (#    542:25  Unique         4.84, 5.52 A)
 &rst
  ixpk= 542, nxpk= 25, iat=1626,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1650,1651,1652,
 &end
#
#   23 VAL  HN          109 ALA  MB          5.50    (#    543:25  Unique         4.73, 5.44 A)
 &rst
  ixpk= 543, nxpk= 25, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1650,1651,1652,
 &end
#
#   95 HIS  HE1          44 VAL  MGX         5.50    (#    548:25  Unique         2.43, 4.25 A)
 &rst
  ixpk= 548, nxpk= 25, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   43 GLN  HN           44 VAL  MGX         5.50    (#    549:25  Unique         4.06, 5.65 A)
 &rst
  ixpk= 549, nxpk= 25, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   42 THR  HN           44 VAL  MGX         5.50    (#    550:25  Unique         4.60, 6.62 A)
 &rst
  ixpk= 550, nxpk= 25, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   46 ALA  HN           44 VAL  MGX         3.50    (#    551:25  Unique         2.30, 4.66 A)
 &rst
  ixpk= 551, nxpk= 25, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   44 VAL  HN           44 VAL  MGX         2.50    (#    552:25  Unique         1.91, 3.29 A)
 &rst
  ixpk= 552, nxpk= 25, iat= 679,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   95 HIS  HE1          44 VAL  MGX         5.50    (#    553:25  Unique         2.43, 4.25 A)
 &rst
  ixpk= 553, nxpk= 25, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#    0 AMB  25-2:554     51 VAL  MGX         5.50    (#    554:25  Single Ambig)
 &rst
  ixpk= 554, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 364, 380,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:555     51 VAL  MGX         3.50    (#    555:25  Single Ambig)
 &rst
  ixpk= 555, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 782, 798,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   26 PHE  HD           51 VAL  MGX         4.50    (#    556:25  Unique         2.52, 5.49 A)
 &rst
  ixpk= 556, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 388, 396,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   26 PHE  HZ           51 VAL  MGX         5.50    (#    557:25  Unique         3.95, 5.76 A)
 &rst
  ixpk= 557, nxpk= 25, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   26 PHE  HE           51 VAL  MGX         4.50    (#    558:25  Unique         2.41, 5.55 A)
 &rst
  ixpk= 558, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 390, 394,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:559    107 ALA  MB          5.50    (#    559:25  Single Ambig)
 &rst
  ixpk= 559, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1597,1209,
 igr2=1630,1631,1632,
 &end
#
#  111 ALA  HN          111 ALA  MB          3.50    (#    560:25  Unique         2.37, 3.21 A)
 &rst
  ixpk= 560, nxpk= 25, iat=1670,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1674,1675,1676,
 &end
#
#  108 ALA  HN          107 ALA  MB          3.50    (#    561:25  Unique         3.49, 4.12 A)
 &rst
  ixpk= 561, nxpk= 25, iat=1636,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1630,1631,1632,
 &end
#
#  107 ALA  HN          107 ALA  MB          2.50    (#    563:25  Unique         2.44, 2.87 A)
 &rst
  ixpk= 563, nxpk= 25, iat=1626,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1630,1631,1632,
 &end
#
#   23 VAL  HN          107 ALA  MB          5.50    (#    564:25  Unique         5.73, 6.66 A)
 &rst
  ixpk= 564, nxpk= 25, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1630,1631,1632,
 &end
#
#  109 ALA  HN          107 ALA  MB          4.50    (#    565:25  Unique         2.70, 3.69 A)
 &rst
  ixpk= 565, nxpk= 25, iat=1646,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1630,1631,1632,
 &end
#
#  110 THR  HN          111 ALA  MB          5.50    (#    567:25  Unique         4.47, 5.94 A)
 &rst
  ixpk= 567, nxpk= 25, iat=1656,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1674,1675,1676,
 &end
#
#  115 ALA  HN          115 ALA  MB          3.50    (#    569:25  Unique         2.48, 3.15 A)
 &rst
  ixpk= 569, nxpk= 25, iat=1730,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1734,1735,1736,
 &end
#
#  116 GLN  HN          115 ALA  MB          5.50    (#    570:25  Unique         2.07, 3.84 A)
 &rst
  ixpk= 570, nxpk= 25, iat=1740,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1734,1735,1736,
 &end
#
#    0 AMB  25-2:571    107 ALA  MB          5.50    (#    571:25  Single Ambig)
 &rst
  ixpk= 571, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1597,1209,
 igr2=1630,1631,1632,
 &end
#
#  105 GLN  HN          107 ALA  MB          5.50    (#    572:25  Unique         5.13, 6.11 A)
 &rst
  ixpk= 572, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1630,1631,1632,
 &end
#
#   61 GLN  HE2+         10 ALA  MB          5.50    (#    573:25  Unique         2.41, 5.84 A)
 &rst
  ixpk= 573, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 931, 932,
 igr2= 141, 142, 143,
 &end
#
#    0 AMB  25-2:574      0 AMB  25-1:574    2.50    (#    574:25  Double Ambig)
 &rst
  ixpk= 574, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1670, 137,
 igr2=1674,1675,1676, 141, 142, 143,
 &end
#
#   23 VAL  HN           22 PRO  HD-         5.50    (#    576:25  Unique         3.02, 3.58 A)
 &rst
  ixpk= 576, nxpk= 25, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 319, 320,
 &end
#
#   23 VAL  HN           22 PRO  HD+         5.50    (#    577:25  Unique         3.02, 3.58 A)
 &rst
  ixpk= 577, nxpk= 25, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 319, 320,
 &end
#
#    0 AMB  25-2:578      0 AMB  25-1:578    5.50    (#    578:25  Double Ambig)
 &rst
  ixpk= 578, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1730,1680,
 igr2=1717,1718,1717,1718,
 &end
#
#   14 ALA  HN           10 ALA  MB          5.50    (#    579:25  Unique         4.66, 5.47 A)
 &rst
  ixpk= 579, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 141, 142, 143,
 &end
#
#    0 AMB  25-2:580     10 ALA  MB          4.50    (#    580:25  Single Ambig)
 &rst
  ixpk= 580, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 936, 115,
 igr2= 141, 142, 143,
 &end
#
#    0 AMB  25-2:581      9 ALA  MB          2.50    (#    581:25  Single Ambig)
 &rst
  ixpk= 581, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 127, 137,
 igr2= 131, 132, 133,
 &end
#
#   69 TRP  HE3          65 ALA  MB          5.50    (#    582:25  Unique         4.26, 5.36 A)
 &rst
  ixpk= 582, nxpk= 25, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 987, 988, 989,
 &end
#
#    0 AMB  25-2:583      0 AMB  25-1:583    4.50    (#    583:25  Double Ambig)
 &rst
  ixpk= 583, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 115, 936,
 igr2= 131, 132, 133, 987, 988, 989,
 &end
#
#    0 AMB  25-2:584      0 AMB  25-1:584    4.50    (#    584:25  Double Ambig)
 &rst
  ixpk= 584, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1084, 188,
 igr2=1016,1017,1018, 131, 132, 133, 987, 988, 989,
 &end
#
#    5 GLN  HE2-          9 ALA  MB          4.50    (#    585:25  Unique         2.42, 4.78 A)
 &rst
  ixpk= 585, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  76,  77,
 igr2= 131, 132, 133,
 &end
#
#   68 HIS  HD2          65 ALA  MB          5.50    (#    586:25  Unique         3.59, 4.80 A)
 &rst
  ixpk= 586, nxpk= 25, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 987, 988, 989,
 &end
#
#    0 AMB  25-2:587      0 AMB  25-1:587    5.50    (#    587:25  Double Ambig)
 &rst
  ixpk= 587, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=  76,  77, 967, 968,
 igr2= 131, 132, 133,1016,1017,1018,
 &end
#
#   66 LEU  HN           65 ALA  MB          3.50    (#    588:25  Unique         2.55, 3.41 A)
 &rst
  ixpk= 588, nxpk= 25, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 987, 988, 989,
 &end
#
#    0 AMB  25-2:589      0 AMB  25-1:589    2.50    (#    589:25  Double Ambig)
 &rst
  ixpk= 589, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1012, 983, 147,
 igr2=1016,1017,1018, 987, 988, 989,
 &end
#
#   68 HIS  HN           67 ALA  MB          3.50    (#    590:25  Unique         2.37, 3.28 A)
 &rst
  ixpk= 590, nxpk= 25, iat=1022,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1016,1017,1018,
 &end
#
#   63 GLN  HE2+         67 ALA  MB          5.50    (#    591:25  Unique         2.69, 5.32 A)
 &rst
  ixpk= 591, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 967, 968,
 igr2=1016,1017,1018,
 &end
#
#   75 VAL  HN           75 VAL  MGX         3.50    (#    592:25  Unique         1.99, 3.47 A)
 &rst
  ixpk= 592, nxpk= 25, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   28 LYS  HN           75 VAL  MGX         5.50    (#    593:25  Unique         3.36, 4.80 A)
 &rst
  ixpk= 593, nxpk= 25, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   63 GLN  HE2-         75 VAL  MGX         4.50    (#    594:25  Unique         2.78, 5.57 A)
 &rst
  ixpk= 594, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 967, 968,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  25-2:595     80 ILE  MG2         5.50    (#    595:25  Single Ambig)
 &rst
  ixpk= 595, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1646,1614,
 igr2=1215,1216,1217,
 &end
#
#  101 LEU  HN          102 PRO  HD-         4.50    (#    596:25  Unique         2.43, 2.94 A)
 &rst
  ixpk= 596, nxpk= 25, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1546,1547,
 &end
#
#  101 LEU  HN          102 PRO  HD+         5.50    (#    597:25  Unique         2.43, 2.94 A)
 &rst
  ixpk= 597, nxpk= 25, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1546,1547,
 &end
#
#  103 LEU  HN          102 PRO  HD+         5.50    (#    598:25  Unique         3.04, 3.77 A)
 &rst
  ixpk= 598, nxpk= 25, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1546,1547,
 &end
#
#  109 ALA  HN          108 ALA  MB          4.50    (#    599:25  Unique         4.17, 4.49 A)
 &rst
  ixpk= 599, nxpk= 25, iat=1646,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1640,1641,1642,
 &end
#
#  110 THR  HN          108 ALA  MB          5.50    (#    600:25  Unique         4.72, 5.55 A)
 &rst
  ixpk= 600, nxpk= 25, iat=1656,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1640,1641,1642,
 &end
#
#  107 ALA  HN          108 ALA  MB          5.50    (#    601:25  Unique         5.56, 6.08 A)
 &rst
  ixpk= 601, nxpk= 25, iat=1626,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1640,1641,1642,
 &end
#
#   73 GLY  HN           67 ALA  MB          5.50    (#    602:25  Unique         3.37, 4.59 A)
 &rst
  ixpk= 602, nxpk= 25, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1016,1017,1018,
 &end
#
#   15 LYS  HN           65 ALA  MB          5.50    (#    603:25  Unique         5.88, 6.65 A)
 &rst
  ixpk= 603, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 987, 988, 989,
 &end
#
#   26 PHE  HD           18 ALA  MB          5.50    (#    604:25  Unique         4.92, 6.76 A)
 &rst
  ixpk= 604, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 388, 396,
 igr2= 280, 281, 282,
 &end
#
#   17 LEU  HN           18 ALA  MB          4.50    (#    605:25  Unique         4.90, 5.47 A)
 &rst
  ixpk= 605, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 280, 281, 282,
 &end
#
#   18 ALA  HN           18 ALA  MB          2.50    (#    606:25  Unique         2.44, 2.85 A)
 &rst
  ixpk= 606, nxpk= 25, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 280, 281, 282,
 &end
#
#    0 AMB  25-2:607     18 ALA  MB          4.50    (#    607:25  Single Ambig)
 &rst
  ixpk= 607, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 220,1242, 242,
 igr2= 280, 281, 282,
 &end
#
#    0 AMB  25-2:608     18 ALA  MB          4.50    (#    608:25  Single Ambig)
 &rst
  ixpk= 608, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1052, 297,
 igr2= 280, 281, 282,
 &end
#
#   26 PHE  HZ           18 ALA  MB          3.50    (#    609:25  Unique         2.39, 3.56 A)
 &rst
  ixpk= 609, nxpk= 25, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 280, 281, 282,
 &end
#
#   69 TRP  HH2          18 ALA  MB          3.50    (#    610:25  Unique         2.34, 2.86 A)
 &rst
  ixpk= 610, nxpk= 25, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 280, 281, 282,
 &end
#
#   69 TRP  HZ3          18 ALA  MB          3.50    (#    611:25  Unique         2.69, 3.77 A)
 &rst
  ixpk= 611, nxpk= 25, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 280, 281, 282,
 &end
#
#   77 ASN  HN           75 VAL  MGX         5.50    (#    612:25  Unique         3.46, 5.75 A)
 &rst
  ixpk= 612, nxpk= 25, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  25-2:613     80 ILE  MG2         4.50    (#    613:25  Single Ambig)
 &rst
  ixpk= 613, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1209,1597,
 igr2=1215,1216,1217,
 &end
#
#  104 LEU  HN           80 ILE  MG2         5.50    (#    614:25  Unique         3.86, 5.27 A)
 &rst
  ixpk= 614, nxpk= 25, iat=1578,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1215,1216,1217,
 &end
#
#  107 ALA  HN           80 ILE  MG2         5.50    (#    615:25  Unique         3.98, 4.67 A)
 &rst
  ixpk= 615, nxpk= 25, iat=1626,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1215,1216,1217,
 &end
#
#  108 ALA  HN          108 ALA  MB          3.50    (#    616:25  Unique         3.01, 3.56 A)
 &rst
  ixpk= 616, nxpk= 25, iat=1636,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1640,1641,1642,
 &end
#
#   14 ALA  HN           14 ALA  MB          2.50    (#    617:25  Unique         2.45, 2.91 A)
 &rst
  ixpk= 617, nxpk= 25, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 214, 215, 216,
 &end
#
#    0 AMB  25-2:618     14 ALA  MB          4.50    (#    618:25  Single Ambig)
 &rst
  ixpk= 618, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 147, 983,1012,
 igr2= 214, 215, 216,
 &end
#
#   15 LYS  HN           14 ALA  MB          3.50    (#    619:25  Unique         2.61, 3.49 A)
 &rst
  ixpk= 619, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 214, 215, 216,
 &end
#
#    0 AMB  25-2:620     14 ALA  MB          4.50    (#    620:25  Single Ambig)
 &rst
  ixpk= 620, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 188,1052,
 igr2= 214, 215, 216,
 &end
#
#   12 LYS  HN           14 ALA  MB          5.50    (#    621:25  Unique         5.21, 6.07 A)
 &rst
  ixpk= 621, nxpk= 25, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 214, 215, 216,
 &end
#
#    0 AMB  25-2:622     14 ALA  MB          4.50    (#    622:25  Single Ambig)
 &rst
  ixpk= 622, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 390, 394,1054,
 igr2= 214, 215, 216,
 &end
#
#   69 TRP  HZ3          14 ALA  MB          4.50    (#    623:25  Unique         2.32, 3.18 A)
 &rst
  ixpk= 623, nxpk= 25, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 214, 215, 216,
 &end
#
#   10 ALA  HN           14 ALA  MB          7.00    (#    624:25  Unique         6.89, 7.66 A)
 &rst
  ixpk= 624, nxpk= 25, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 214, 215, 216,
 &end
#
#   26 PHE  HZ           14 ALA  MB          5.50    (#    625:25  Unique         3.39, 4.49 A)
 &rst
  ixpk= 625, nxpk= 25, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 214, 215, 216,
 &end
#
#   69 TRP  HE3          14 ALA  MB          4.50    (#    626:25  Unique         2.88, 3.40 A)
 &rst
  ixpk= 626, nxpk= 25, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 214, 215, 216,
 &end
#
#   78 VAL  HN           85 ILE  MG2         5.50    (#    627:25  Unique         5.24, 6.72 A)
 &rst
  ixpk= 627, nxpk= 25, iat=1173,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1287,1288,1289,
 &end
#
#   80 ILE  HN           85 ILE  MG2         5.50    (#    628:25  Unique         5.60, 6.13 A)
 &rst
  ixpk= 628, nxpk= 25, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1287,1288,1289,
 &end
#
#    0 AMB  25-2:629     85 ILE  MG2         5.50    (#    629:25  Single Ambig)
 &rst
  ixpk= 629, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1307,1337,
 igr2=1287,1288,1289,
 &end
#
#   85 ILE  HN           85 ILE  MG2         4.50    (#    630:25  Unique         3.96, 4.64 A)
 &rst
  ixpk= 630, nxpk= 25, iat=1281,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1287,1288,1289,
 &end
#
#    0 AMB  25-2:631     85 ILE  MG2         5.50    (#    631:25  Single Ambig)
 &rst
  ixpk= 631, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1398,1367,
 igr2=1287,1288,1289,
 &end
#
#   91 VAL  HN           85 ILE  MG2         5.50    (#    632:25  Unique         4.38, 5.74 A)
 &rst
  ixpk= 632, nxpk= 25, iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1287,1288,1289,
 &end
#
#   86 GLY  HN           85 ILE  MG2         4.50    (#    633:25  Unique         2.99, 4.33 A)
 &rst
  ixpk= 633, nxpk= 25, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1287,1288,1289,
 &end
#
#   59 GLY  HN           59 GLY  HA+         4.50    (#    634:25  Unique         2.23, 2.48 A)
 &rst
  ixpk= 634, nxpk= 25, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 903, 904,
 &end
#
#   32 GLY  HN           32 GLY  QA          3.50    (#    635:25  Unique         2.27, 2.55 A)
 &rst
  ixpk= 635, nxpk= 25, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 480, 481,
 &end
#
#   35 ASN  HN           32 GLY  QA          5.50    (#    636:25  Unique         3.20, 4.08 A)
 &rst
  ixpk= 636, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 480, 481,
 &end
#
#   35 ASN  HD2+         32 GLY  QA          4.50    (#    637:25  Unique         2.89, 5.02 A)
 &rst
  ixpk= 637, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 526, 527,
 igr2= 480, 481,
 &end
#
#   82 GLY  HN           81 GLY  HA-         5.50    (#    638:25  Unique         2.98, 3.29 A)
 &rst
  ixpk= 638, nxpk= 25, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1230,1231,
 &end
#
#   33 TYR  HN           32 GLY  QA          5.50    (#    639:25  Unique         2.83, 3.25 A)
 &rst
  ixpk= 639, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 480, 481,
 &end
#
#   82 GLY  HN           81 GLY  HA+         5.50    (#    640:25  Unique         2.98, 3.29 A)
 &rst
  ixpk= 640, nxpk= 25, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1230,1231,
 &end
#
#    0 AMB  25-2:641     80 ILE  MD1         4.50    (#    641:25  Single Ambig)
 &rst
  ixpk= 641, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1209,1597,
 igr2=1222,1223,1224,
 &end
#
#  104 LEU  HN           80 ILE  MD1         5.50    (#    642:25  Unique         4.24, 5.29 A)
 &rst
  ixpk= 642, nxpk= 25, iat=1578,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1222,1223,1224,
 &end
#
#  103 LEU  HN           80 ILE  MD1         5.50    (#    643:25  Unique         5.99, 6.73 A)
 &rst
  ixpk= 643, nxpk= 25, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1222,1223,1224,
 &end
#
#   45 GLY  HN           45 GLY  HA+         3.50    (#    644:25  Unique         2.26, 2.58 A)
 &rst
  ixpk= 644, nxpk= 25, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 697, 698,
 &end
#
#   46 ALA  HN           45 GLY  HA-         4.50    (#    645:25  Unique         2.85, 3.29 A)
 &rst
  ixpk= 645, nxpk= 25, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 697, 698,
 &end
#
#   45 GLY  HN           45 GLY  HA-         3.50    (#    646:25  Unique         2.26, 2.58 A)
 &rst
  ixpk= 646, nxpk= 25, iat= 695,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 697, 698,
 &end
#
#   71 GLY  HN           71 GLY  HA+         3.50    (#    647:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 647, nxpk= 25, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1079,1080,
 &end
#
#   46 ALA  HN           45 GLY  HA+         4.50    (#    648:25  Unique         2.85, 3.29 A)
 &rst
  ixpk= 648, nxpk= 25, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 697, 698,
 &end
#
#   71 GLY  HN           71 GLY  HA-         3.50    (#    649:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 649, nxpk= 25, iat=1077,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1079,1080,
 &end
#
#   82 GLY  HN           82 GLY  HA+         3.50    (#    650:25  Unique         2.28, 2.57 A)
 &rst
  ixpk= 650, nxpk= 25, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1237,1238,
 &end
#
#   83 LYS  HN           82 GLY  HA+         4.50    (#    651:25  Unique         3.15, 3.37 A)
 &rst
  ixpk= 651, nxpk= 25, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1237,1238,
 &end
#
#    0 AMB  25-2:652      0 AMB  25-1:652    5.50    (#    652:25  Double Ambig)
 &rst
  ixpk= 652, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 967, 968,1115,
 igr2=1110,1111,1110,1111,
 &end
#
#   73 GLY  HN           73 GLY  HA-         5.50    (#    654:25  Unique         2.26, 2.59 A)
 &rst
  ixpk= 654, nxpk= 25, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1110,1111,
 &end
#
#    0 AMB  25-2:655     73 GLY  HA-         5.50    (#    655:25  Single Ambig)
 &rst
  ixpk= 655, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 967, 968,1115,
 igr2=1110,1111,
 &end
#
#   82 GLY  HN           82 GLY  HA-         3.50    (#    656:25  Unique         2.28, 2.57 A)
 &rst
  ixpk= 656, nxpk= 25, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1237,1238,
 &end
#
#   83 LYS  HN           82 GLY  HA-         5.50    (#    657:25  Unique         3.15, 3.37 A)
 &rst
  ixpk= 657, nxpk= 25, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1237,1238,
 &end
#
#    0 AMB  25-2:659      0 AMB  25-1:659    4.50    (#    659:25  Double Ambig)
 &rst
  ixpk= 659, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1276,1277,1300,
 igr2=1302,1303,1302,1303,
 &end
#
#   87 GLY  HN           86 GLY  HA+         3.50    (#    660:25  Unique         2.16, 2.63 A)
 &rst
  ixpk= 660, nxpk= 25, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1302,1303,
 &end
#
#   87 GLY  HN           86 GLY  HA-         3.50    (#    661:25  Unique         2.16, 2.63 A)
 &rst
  ixpk= 661, nxpk= 25, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1302,1303,
 &end
#
#    0 AMB  25-2:662     86 GLY  HA-         4.50    (#    662:25  Single Ambig)
 &rst
  ixpk= 662, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1276,1277,1300,
 igr2=1302,1303,
 &end
#
#   87 GLY  HN           87 GLY  HA-         4.50    (#    663:25  Unique         2.41, 2.76 A)
 &rst
  ixpk= 663, nxpk= 25, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1309,1310,
 &end
#
#   88 CYS  HN           87 GLY  HA-         4.50    (#    664:25  Unique         2.34, 2.58 A)
 &rst
  ixpk= 664, nxpk= 25, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1309,1310,
 &end
#
#    0 AMB  25-2:665      0 AMB  25-1:665    5.50    (#    665:25  Double Ambig)
 &rst
  ixpk= 665, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1492,1437,1314,
 igr2=1464,1465, 541, 542,
 &end
#
#   97 ARG  HE           97 ARG  QD          3.50    (#    666:25  Unique         2.28, 2.68 A)
 &rst
  ixpk= 666, nxpk= 25, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1464,1465,
 &end
#
#   36 ARG  HN           36 ARG  HD-         5.50    (#    669:25  Unique         3.58, 4.96 A)
 &rst
  ixpk= 669, nxpk= 25, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 541, 542,
 &end
#
#   33 TYR  HE           36 ARG  HD+         5.50    (#    670:25  Unique         3.79, 6.53 A)
 &rst
  ixpk= 670, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 495, 500,
 igr2= 541, 542,
 &end
#
#    0 AMB  25-2:671      0 AMB  25-1:671    5.50    (#    671:25  Double Ambig)
 &rst
  ixpk= 671, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 531, 555,
 igr2= 541, 542, 541, 542,
 &end
#
#   59 GLY  HN           56 LEU  HB+         5.50    (#    673:25  Unique         2.69, 3.88 A)
 &rst
  ixpk= 673, nxpk= 25, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 863, 864,
 &end
#
#   58 ASP  HN           56 LEU  HB+         5.50    (#    674:25  Unique         2.66, 4.06 A)
 &rst
  ixpk= 674, nxpk= 25, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 863, 864,
 &end
#
#   56 LEU  HN           56 LEU  HB+         5.50    (#    675:25  Unique         2.41, 2.54 A)
 &rst
  ixpk= 675, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 863, 864,
 &end
#
#   56 LEU  HN           56 LEU  HB-         4.50    (#    676:25  Unique         2.41, 2.54 A)
 &rst
  ixpk= 676, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 863, 864,
 &end
#
#   58 ASP  HN           56 LEU  HB-         5.50    (#    677:25  Unique         2.66, 4.06 A)
 &rst
  ixpk= 677, nxpk= 25, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 863, 864,
 &end
#
#   18 ALA  HN           17 LEU  HB+         5.50    (#    678:25  Unique         2.50, 2.98 A)
 &rst
  ixpk= 678, nxpk= 25, iat= 276,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 261, 262,
 &end
#
#   26 PHE  HZ           17 LEU  HB+         5.50    (#    679:25  Unique         2.41, 2.81 A)
 &rst
  ixpk= 679, nxpk= 25, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 261, 262,
 &end
#
#   17 LEU  HN           17 LEU  HB+         4.50    (#    680:25  Unique         2.32, 2.97 A)
 &rst
  ixpk= 680, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 261, 262,
 &end
#
#  117 LEU  HN          117 LEU  QB          4.50    (#    681:25  Unique         2.27, 2.86 A)
 &rst
  ixpk= 681, nxpk= 25, iat=1757,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1761,1762,
 &end
#
#   17 LEU  HN           17 LEU  HB-         5.50    (#    682:25  Unique         2.32, 2.97 A)
 &rst
  ixpk= 682, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 261, 262,
 &end
#
#   17 LEU  HN           17 LEU  HB-         5.50    (#    683:25  Unique         2.32, 2.97 A)
 &rst
  ixpk= 683, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 261, 262,
 &end
#
#   26 PHE  HZ           17 LEU  HB-         5.50    (#    684:25  Unique         2.41, 2.81 A)
 &rst
  ixpk= 684, nxpk= 25, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 261, 262,
 &end
#
#   79 PHE  HN           79 PHE  HB+         5.50    (#    685:25  Unique         2.50, 3.11 A)
 &rst
  ixpk= 685, nxpk= 25, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1193,1194,
 &end
#
#   79 PHE  HD           79 PHE  HB+         4.50    (#    686:25  Unique         2.29, 3.09 A)
 &rst
  ixpk= 686, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1197,1205,
 igr2=1193,1194,
 &end
#
#   77 ASN  HD2+         72 ARG  HD-         5.50    (#    687:25  Unique         3.23, 4.70 A)
 &rst
  ixpk= 687, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1168,1169,
 igr2=1094,1095,
 &end
#
#    0 AMB  25-2:688     72 ARG  HD-         5.50    (#    688:25  Single Ambig)
 &rst
  ixpk= 688, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1097,1276,1277,
 igr2=1094,1095,
 &end
#
#   79 PHE  HD           79 PHE  HB-         4.50    (#    689:25  Unique         2.29, 3.09 A)
 &rst
  ixpk= 689, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1197,1205,
 igr2=1193,1194,
 &end
#
#  100 LEU  HN          100 LEU  HB+         5.50    (#    690:25  Unique         2.24, 2.53 A)
 &rst
  ixpk= 690, nxpk= 25, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1511,1512,
 &end
#
#  100 LEU  HN          100 LEU  HB-         5.50    (#    691:25  Unique         2.24, 2.53 A)
 &rst
  ixpk= 691, nxpk= 25, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1511,1512,
 &end
#
#   83 LYS  HN           83 LYS  QE          7.00    (#    692:25  Unique         4.72, 6.35 A)
 &rst
  ixpk= 692, nxpk= 25, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1255,1256,
 &end
#
#  104 LEU  HN          103 LEU  HB+         4.50    (#    693:25  Unique         2.62, 3.31 A)
 &rst
  ixpk= 693, nxpk= 25, iat=1578,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1563,1564,
 &end
#
#  103 LEU  HN          103 LEU  HB+         4.50    (#    694:25  Unique         2.11, 2.48 A)
 &rst
  ixpk= 694, nxpk= 25, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1563,1564,
 &end
#
#    0 AMB  25-2:695      0 AMB  25-1:695    3.50    (#    695:25  Double Ambig)
 &rst
  ixpk= 695, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 936, 955,
 igr2= 940, 941, 940, 941,
 &end
#
#   66 LEU  HN           66 LEU  HB+         4.50    (#    696:25  Unique         2.07, 2.85 A)
 &rst
  ixpk= 696, nxpk= 25, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 997, 998,
 &end
#
#   67 ALA  HN           66 LEU  HB+         4.50    (#    697:25  Unique         2.60, 3.06 A)
 &rst
  ixpk= 697, nxpk= 25, iat=1012,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 997, 998,
 &end
#
#   53 LEU  HN           53 LEU  HB+         5.50    (#    698:25  Unique         2.22, 2.97 A)
 &rst
  ixpk= 698, nxpk= 25, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 817, 818,
 &end
#
#  104 LEU  HN          103 LEU  HB-         5.50    (#    699:25  Unique         2.62, 3.31 A)
 &rst
  ixpk= 699, nxpk= 25, iat=1578,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1563,1564,
 &end
#
#  103 LEU  HN          103 LEU  HB-         4.50    (#    700:25  Unique         2.11, 2.48 A)
 &rst
  ixpk= 700, nxpk= 25, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1563,1564,
 &end
#
#   67 ALA  HN           66 LEU  HB-         5.50    (#    702:25  Unique         2.60, 3.06 A)
 &rst
  ixpk= 702, nxpk= 25, iat=1012,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 997, 998,
 &end
#
#   66 LEU  HN           66 LEU  HB-         4.50    (#    703:25  Unique         2.07, 2.85 A)
 &rst
  ixpk= 703, nxpk= 25, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 997, 998,
 &end
#
#    0 AMB  25-2:704     62 LEU  HB-         3.50    (#    704:25  Single Ambig)
 &rst
  ixpk= 704, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 936, 955,
 igr2= 940, 941,
 &end
#
#    0 AMB  25-2:705      0 AMB  25-1:705    5.50    (#    705:25  Double Ambig)
 &rst
  ixpk= 705, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 571, 593,
 igr2= 584, 585, 584, 585,
 &end
#
#  105 GLN  HN          103 LEU  HB+         5.50    (#    706:25  Unique         5.02, 5.51 A)
 &rst
  ixpk= 706, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1563,1564,
 &end
#
#   41 LEU  HN           40 LEU  QB          3.50    (#    707:25  Unique         2.35, 3.06 A)
 &rst
  ixpk= 707, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 614, 615,
 &end
#
#   40 LEU  HN           40 LEU  QB          2.50    (#    708:25  Unique         2.28, 2.47 A)
 &rst
  ixpk= 708, nxpk= 25, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 614, 615,
 &end
#
#   48 TYR  HE           38 LYS  HE+         5.50    (#    709:25  Unique         2.70, 5.43 A)
 &rst
  ixpk= 709, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 733, 738,
 igr2= 584, 585,
 &end
#
#   42 THR  HN           41 LEU  HB+         5.50    (#    712:25  Unique         2.60, 3.15 A)
 &rst
  ixpk= 712, nxpk= 25, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 633, 634,
 &end
#
#  105 GLN  HN          104 LEU  HB+         5.50    (#    713:25  Unique         2.53, 3.10 A)
 &rst
  ixpk= 713, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1582,1583,
 &end
#
#  104 LEU  HN          104 LEU  HB+         5.50    (#    714:25  Unique         2.33, 2.96 A)
 &rst
  ixpk= 714, nxpk= 25, iat=1578,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1582,1583,
 &end
#
#   11 LEU  HN           11 LEU  QB          2.50    (#    715:25  Unique         2.27, 2.50 A)
 &rst
  ixpk= 715, nxpk= 25, iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 151, 152,
 &end
#
#   12 LYS  HN           11 LEU  QB          3.50    (#    716:25  Unique         2.44, 3.38 A)
 &rst
  ixpk= 716, nxpk= 25, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 151, 152,
 &end
#
#  105 GLN  HN          104 LEU  HB-         5.50    (#    717:25  Unique         2.53, 3.10 A)
 &rst
  ixpk= 717, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1582,1583,
 &end
#
#  104 LEU  HN          104 LEU  HB-         4.50    (#    718:25  Unique         2.33, 2.96 A)
 &rst
  ixpk= 718, nxpk= 25, iat=1578,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1582,1583,
 &end
#
#   41 LEU  HN           41 LEU  HB+         4.50    (#    719:25  Unique         2.15, 2.93 A)
 &rst
  ixpk= 719, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 633, 634,
 &end
#
#    0 AMB  25-2:720     41 LEU  HB-         5.50    (#    720:25  Single Ambig)
 &rst
  ixpk= 720, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 731, 740, 733, 738,
 igr2= 633, 634,
 &end
#
#   41 LEU  HN           41 LEU  HB-         5.50    (#    721:25  Unique         2.15, 2.93 A)
 &rst
  ixpk= 721, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 633, 634,
 &end
#
#    0 AMB  25-2:722     41 LEU  HB-         5.50    (#    722:25  Single Ambig)
 &rst
  ixpk= 722, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 731, 740, 733, 738,
 igr2= 633, 634,
 &end
#
#    0 AMB  25-2:723     15 LYS  HE-         5.50    (#    723:25  Single Ambig)
 &rst
  ixpk= 723, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 220, 242,
 igr2= 233, 234,
 &end
#
#    0 AMB  25-2:724      0 AMB  25-1:724    4.50    (#    724:25  Double Ambig)
 &rst
  ixpk= 724, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=  81, 137, 127,1032,
 igr2= 100, 101, 151, 152,
 &end
#
#   13 LYS  HN           11 LEU  QB          5.50    (#    725:25  Unique         4.99, 5.64 A)
 &rst
  ixpk= 725, nxpk= 25, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 151, 152,
 &end
#
#    8 ASP  HN            7 LEU  QB          4.50    (#    726:25  Unique         2.47, 3.22 A)
 &rst
  ixpk= 726, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 100, 101,
 &end
#
#   80 ILE  HN           80 ILE  HB          4.50    (#    727:25  Unique         2.84, 2.87 A)
 &rst
  ixpk= 727, nxpk= 25, iat=1209,1213, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 TRP  HZ2          15 LYS  HE+         5.50    (#    728:25  Unique         2.68, 3.55 A)
 &rst
  ixpk= 728, nxpk= 25, iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 233, 234,
 &end
#
#   85 ILE  HN           85 ILE  MD1         4.50    (#    729:25  Unique         3.17, 4.47 A)
 &rst
  ixpk= 729, nxpk= 25, iat=1281,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1294,1295,1296,
 &end
#
#   80 ILE  HN           85 ILE  MD1         4.50    (#    730:25  Unique         2.13, 3.76 A)
 &rst
  ixpk= 730, nxpk= 25, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1294,1295,1296,
 &end
#
#   83 LYS  HN           85 ILE  MD1         5.50    (#    731:25  Unique         4.24, 5.13 A)
 &rst
  ixpk= 731, nxpk= 25, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1294,1295,1296,
 &end
#
#   86 GLY  HN           85 ILE  MD1         5.50    (#    732:25  Unique         4.95, 5.79 A)
 &rst
  ixpk= 732, nxpk= 25, iat=1300,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1294,1295,1296,
 &end
#
#   49 LYS  HN           48 TYR  HB+         5.50    (#    733:25  Unique         2.33, 3.12 A)
 &rst
  ixpk= 733, nxpk= 25, iat= 744,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 727, 728,
 &end
#
#   48 TYR  HD           48 TYR  HB+         4.50    (#    734:25  Unique         2.35, 3.08 A)
 &rst
  ixpk= 734, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 731, 740,
 igr2= 727, 728,
 &end
#
#   48 TYR  HD           48 TYR  HB-         4.50    (#    735:25  Unique         2.35, 3.08 A)
 &rst
  ixpk= 735, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 731, 740,
 igr2= 727, 728,
 &end
#
#   77 ASN  HN           77 ASN  HB+         5.50    (#    737:25  Unique         2.62, 2.94 A)
 &rst
  ixpk= 737, nxpk= 25, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1163,1164,
 &end
#
#   77 ASN  HD2+         77 ASN  HB+         5.50    (#    738:25  Unique         2.18, 3.19 A)
 &rst
  ixpk= 738, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1168,1169,
 igr2=1163,1164,
 &end
#
#  106 ASP  HN          106 ASP  HB+         2.50    (#    739:25  Unique         2.34, 2.50 A)
 &rst
  ixpk= 739, nxpk= 25, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=1618,1619,
 &end
#
#  107 ALA  HN          106 ASP  HB+         4.50    (#    740:25  Unique         2.59, 3.35 A)
 &rst
  ixpk= 740, nxpk= 25, iat=1626,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1618,1619,
 &end
#
#   77 ASN  HD2+         77 ASN  HB-         4.50    (#    741:25  Unique         2.18, 3.19 A)
 &rst
  ixpk= 741, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1168,1169,
 igr2=1163,1164,
 &end
#
#   77 ASN  HN           77 ASN  HB-         5.50    (#    742:25  Unique         2.62, 2.94 A)
 &rst
  ixpk= 742, nxpk= 25, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1163,1164,
 &end
#
#  106 ASP  HN          106 ASP  HB-         3.50    (#    743:25  Unique         2.34, 2.50 A)
 &rst
  ixpk= 743, nxpk= 25, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1618,1619,
 &end
#
#  107 ALA  HN          106 ASP  HB-         3.50    (#    744:25  Unique         2.59, 3.35 A)
 &rst
  ixpk= 744, nxpk= 25, iat=1626,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1618,1619,
 &end
#
#    9 ALA  HN            8 ASP  HB+         3.50    (#    745:25  Unique         2.60, 3.36 A)
 &rst
  ixpk= 745, nxpk= 25, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 119, 120,
 &end
#
#    8 ASP  HN            8 ASP  HB+         3.50    (#    746:25  Unique         2.33, 2.50 A)
 &rst
  ixpk= 746, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 119, 120,
 &end
#
#    9 ALA  HN            8 ASP  HB-         4.50    (#    747:25  Unique         2.60, 3.36 A)
 &rst
  ixpk= 747, nxpk= 25, iat= 127,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 119, 120,
 &end
#
#    8 ASP  HN            8 ASP  HB-         3.50    (#    748:25  Unique         2.33, 2.50 A)
 &rst
  ixpk= 748, nxpk= 25, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 119, 120,
 &end
#
#    0 AMB  25-2:749     70 THR  HB          5.50    (#    749:25  Single Ambig)
 &rst
  ixpk= 749, nxpk= 25, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1168,1169,1084,
 &end
#
#   70 THR  HN           70 THR  HB          5.50    (#    750:25  Unique         3.61, 3.67 A)
 &rst
  ixpk= 750, nxpk= 25, iat=1063,1067, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 VAL  HN           74 THR  HB          3.50    (#    751:25  Unique         2.21, 2.67 A)
 &rst
  ixpk= 751, nxpk= 25, iat=1129,1119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   74 THR  HN           74 THR  HB          5.50    (#    752:25  Unique         2.85, 3.42 A)
 &rst
  ixpk= 752, nxpk= 25, iat=1115,1119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 PHE  HN           26 PHE  HB+         5.50    (#    753:25  Unique         2.38, 3.04 A)
 &rst
  ixpk= 753, nxpk= 25, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 384, 385,
 &end
#
#   26 PHE  HD           26 PHE  HB+         4.50    (#    754:25  Unique         2.39, 3.09 A)
 &rst
  ixpk= 754, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 388, 396,
 igr2= 384, 385,
 &end
#
#   26 PHE  HN           26 PHE  HB-         5.50    (#    755:25  Unique         2.38, 3.04 A)
 &rst
  ixpk= 755, nxpk= 25, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 384, 385,
 &end
#
#   26 PHE  HD           26 PHE  HB-         4.50    (#    756:25  Unique         2.39, 3.09 A)
 &rst
  ixpk= 756, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 388, 396,
 igr2= 384, 385,
 &end
#
#   54 ASP  HN           54 ASP  HB+         5.50    (#    757:25  Unique         2.32, 2.52 A)
 &rst
  ixpk= 757, nxpk= 25, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 836, 837,
 &end
#
#  113 ASN  HN          113 ASN  HB-         4.50    (#    758:25  Unique         2.24, 3.02 A)
 &rst
  ixpk= 758, nxpk= 25, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1706,1707,
 &end
#
#  113 ASN  HD2+        113 ASN  HB-         5.50    (#    759:25  Unique         2.21, 3.25 A)
 &rst
  ixpk= 759, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1711,1712,
 igr2=1706,1707,
 &end
#
#    0 AMB  25-2:760      0 AMB  25-1:760    3.50    (#    760:25  Double Ambig)
 &rst
  ixpk= 760, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1702,1325,
 igr2=1706,1707,1329,1330,
 &end
#
#  113 ASN  HD2+        113 ASN  HB+         4.50    (#    761:25  Unique         2.21, 3.25 A)
 &rst
  ixpk= 761, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1711,1712,
 igr2=1706,1707,
 &end
#
#  105 GLN  HE2-        113 ASN  HB+         5.50    (#    762:25  Unique         2.19, 4.56 A)
 &rst
  ixpk= 762, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1609,1610,
 igr2=1706,1707,
 &end
#
#   90 THR  HN           89 ASP  HB+         4.50    (#    763:25  Unique         2.69, 3.42 A)
 &rst
  ixpk= 763, nxpk= 25, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1329,1330,
 &end
#
#   54 ASP  HN           54 ASP  HB-         5.50    (#    764:25  Unique         2.32, 2.52 A)
 &rst
  ixpk= 764, nxpk= 25, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 836, 837,
 &end
#
#   89 ASP  HN           89 ASP  HB-         4.50    (#    765:25  Unique         2.47, 2.51 A)
 &rst
  ixpk= 765, nxpk= 25, iat=1325,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1329,1330,
 &end
#
#  100 LEU  HN          101 LEU  QB          5.50    (#    766:25  Unique         4.56, 5.09 A)
 &rst
  ixpk= 766, nxpk= 25, iat=1507,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1530,1531,
 &end
#
#  101 LEU  HN          101 LEU  QB          3.50    (#    767:25  Unique         2.13, 2.62 A)
 &rst
  ixpk= 767, nxpk= 25, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1530,1531,
 &end
#
#   90 THR  HN           89 ASP  HB-         4.50    (#    768:25  Unique         2.69, 3.42 A)
 &rst
  ixpk= 768, nxpk= 25, iat=1337,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1329,1330,
 &end
#
#   58 ASP  HN           58 ASP  HB+         5.50    (#    769:25  Unique         2.67, 3.07 A)
 &rst
  ixpk= 769, nxpk= 25, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 893, 894,
 &end
#
#   33 TYR  HD           33 TYR  HB+         5.50    (#    770:25  Unique         2.36, 3.09 A)
 &rst
  ixpk= 770, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 493, 502,
 igr2= 489, 490,
 &end
#
#   58 ASP  HN           58 ASP  HB-         5.50    (#    771:25  Unique         2.67, 3.07 A)
 &rst
  ixpk= 771, nxpk= 25, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 893, 894,
 &end
#
#   33 TYR  HD           33 TYR  HB-         5.50    (#    772:25  Unique         2.36, 3.09 A)
 &rst
  ixpk= 772, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 493, 502,
 igr2= 489, 490,
 &end
#
#   30 TYR  HD           30 TYR  HB-         3.50    (#    773:25  Unique         2.41, 3.09 A)
 &rst
  ixpk= 773, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 455, 464,
 igr2= 451, 452,
 &end
#
#   30 TYR  HE           30 TYR  HB-         5.50    (#    774:25  Unique         4.69, 5.11 A)
 &rst
  ixpk= 774, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 457, 462,
 igr2= 451, 452,
 &end
#
#   33 TYR  HN           33 TYR  HB-         5.50    (#    775:25  Unique         2.35, 3.01 A)
 &rst
  ixpk= 775, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 489, 490,
 &end
#
#   30 TYR  HD           30 TYR  HB+         3.50    (#    776:25  Unique         2.41, 3.09 A)
 &rst
  ixpk= 776, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 455, 464,
 igr2= 451, 452,
 &end
#
#  111 ALA  HN          110 THR  HB          4.50    (#    777:25  Unique         2.18, 3.50 A)
 &rst
  ixpk= 777, nxpk= 25, iat=1670,1660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 THR  HN          110 THR  HB          4.50    (#    778:25  Unique         3.38, 3.56 A)
 &rst
  ixpk= 778, nxpk= 25, iat=1656,1660, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 ASN  HN           35 ASN  HB+         4.50    (#    779:25  Unique         2.13, 2.58 A)
 &rst
  ixpk= 779, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 521, 522,
 &end
#
#   35 ASN  HD2+         35 ASN  HB+         3.50    (#    780:25  Unique         2.24, 3.32 A)
 &rst
  ixpk= 780, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 526, 527,
 igr2= 521, 522,
 &end
#
#   35 ASN  HD2-         35 ASN  HB+         5.50    (#    781:25  Unique         2.24, 3.32 A)
 &rst
  ixpk= 781, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 526, 527,
 igr2= 521, 522,
 &end
#
#   35 ASN  HN           35 ASN  HB-         4.50    (#    782:25  Unique         2.13, 2.58 A)
 &rst
  ixpk= 782, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 521, 522,
 &end
#
#   35 ASN  HD2+         35 ASN  HB-         3.50    (#    783:25  Unique         2.24, 3.32 A)
 &rst
  ixpk= 783, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 526, 527,
 igr2= 521, 522,
 &end
#
#   43 GLN  HN           42 THR  HB          3.50    (#    784:25  Unique         2.47, 2.69 A)
 &rst
  ixpk= 784, nxpk= 25, iat= 662, 652, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 THR  HN           42 THR  HB          3.50    (#    785:25  Unique         2.45, 2.51 A)
 &rst
  ixpk= 785, nxpk= 25, iat= 648, 652, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 LEU  HN            6 GLU  HG+         5.50    (#    786:25  Unique         3.78, 4.74 A)
 &rst
  ixpk= 786, nxpk= 25, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  88,  89,
 &end
#
#    6 GLU  HN            6 GLU  HG+         4.50    (#    787:25  Unique         2.20, 3.31 A)
 &rst
  ixpk= 787, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  88,  89,
 &end
#
#    6 GLU  HN            6 GLU  HG-         4.50    (#    788:25  Unique         2.20, 3.31 A)
 &rst
  ixpk= 788, nxpk= 25, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  88,  89,
 &end
#
#   85 ILE  HN           85 ILE  HB          4.50    (#    789:25  Unique         2.35, 2.55 A)
 &rst
  ixpk= 789, nxpk= 25, iat=1281,1285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 GLY  HN           85 ILE  HB          4.50    (#    790:25  Unique         2.49, 2.58 A)
 &rst
  ixpk= 790, nxpk= 25, iat=1300,1285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:791     90 THR  HB          3.50    (#    791:25  Single Ambig)
 &rst
  ixpk= 791, nxpk= 25, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1307,1337,
 &end
#
#   91 VAL  HN           90 THR  HB          4.50    (#    792:25  Unique         2.44, 2.48 A)
 &rst
  ixpk= 792, nxpk= 25, iat=1351,1341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   98 ASN  HN           98 ASN  HB+         4.50    (#    793:25  Unique         2.98, 3.36 A)
 &rst
  ixpk= 793, nxpk= 25, iat=1478,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1482,1483,
 &end
#
#   98 ASN  HD2+         98 ASN  HB+         4.50    (#    794:25  Unique         2.28, 3.30 A)
 &rst
  ixpk= 794, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1487,1488,
 igr2=1482,1483,
 &end
#
#   98 ASN  HD2-         98 ASN  HB+         5.50    (#    795:25  Unique         2.28, 3.30 A)
 &rst
  ixpk= 795, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1487,1488,
 igr2=1482,1483,
 &end
#
#   99 GLU  HN           98 ASN  HB+         5.50    (#    796:25  Unique         4.29, 4.50 A)
 &rst
  ixpk= 796, nxpk= 25, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1482,1483,
 &end
#
#   98 ASN  HN           98 ASN  HB-         4.50    (#    797:25  Unique         2.98, 3.36 A)
 &rst
  ixpk= 797, nxpk= 25, iat=1478,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1482,1483,
 &end
#
#   98 ASN  HD2+         98 ASN  HB-         4.50    (#    798:25  Unique         2.28, 3.30 A)
 &rst
  ixpk= 798, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1487,1488,
 igr2=1482,1483,
 &end
#
#   98 ASN  HD2-         98 ASN  HB-         4.50    (#    799:25  Unique         2.28, 3.30 A)
 &rst
  ixpk= 799, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1487,1488,
 igr2=1482,1483,
 &end
#
#    0 AMB  25-2:800      0 AMB  25-1:800    3.50    (#    800:25  Double Ambig)
 &rst
  ixpk= 800, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1398,1383,
 igr2=1390,1391,1390,1391,
 &end
#
#   97 ARG  HE           93 GLU  HG-         4.50    (#    801:25  Unique         2.02, 4.28 A)
 &rst
  ixpk= 801, nxpk= 25, iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1390,1391,
 &end
#
#   55 GLU  HN           55 GLU  HG-         4.50    (#    802:25  Unique         2.36, 3.76 A)
 &rst
  ixpk= 802, nxpk= 25, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 851, 852,
 &end
#
#   17 LEU  HN           16 GLU  HG-         5.50    (#    803:25  Unique         3.66, 4.46 A)
 &rst
  ixpk= 803, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 249, 250,
 &end
#
#   16 GLU  HN           16 GLU  HG-         4.50    (#    804:25  Unique         2.37, 3.80 A)
 &rst
  ixpk= 804, nxpk= 25, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 249, 250,
 &end
#
#    0 AMB  25-2:805     93 GLU  HG-         3.50    (#    805:25  Single Ambig)
 &rst
  ixpk= 805, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1398,1383,
 igr2=1390,1391,
 &end
#
#   17 LEU  HN           16 GLU  HG+         5.50    (#    806:25  Unique         3.66, 4.46 A)
 &rst
  ixpk= 806, nxpk= 25, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 249, 250,
 &end
#
#   16 GLU  HN           16 GLU  HG+         4.50    (#    807:25  Unique         2.37, 3.80 A)
 &rst
  ixpk= 807, nxpk= 25, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 249, 250,
 &end
#
#   99 GLU  HN           99 GLU  QG          4.50    (#    808:25  Unique         2.78, 4.42 A)
 &rst
  ixpk= 808, nxpk= 25, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1499,1500,
 &end
#
#   91 VAL  HN           91 VAL  HA          4.50    (#    809:25  Unique         2.88, 2.89 A)
 &rst
  ixpk= 809, nxpk= 25, iat=1351,1353, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 VAL  HN           24 VAL  HB          4.50    (#    810:25  Unique         2.82, 2.87 A)
 &rst
  ixpk= 810, nxpk= 25, iat= 348, 352, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:811     91 VAL  HA          4.50    (#    811:25  Single Ambig)
 &rst
  ixpk= 811, nxpk= 25, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1398,1420,1367,
 &end
#
#   49 LYS  HN           49 LYS  HB+         4.50    (#    812:25  Unique         2.43, 2.79 A)
 &rst
  ixpk= 812, nxpk= 25, iat= 744,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 748, 749,
 &end
#
#   49 LYS  HN           49 LYS  HB-         4.50    (#    813:25  Unique         2.43, 2.79 A)
 &rst
  ixpk= 813, nxpk= 25, iat= 744,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 748, 749,
 &end
#
#   43 GLN  HN           42 THR  HA          5.50    (#    814:25  Unique         3.59, 3.61 A)
 &rst
  ixpk= 814, nxpk= 25, iat= 662, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 THR  HN           42 THR  HA          3.50    (#    815:25  Unique         2.82, 2.84 A)
 &rst
  ixpk= 815, nxpk= 25, iat= 648, 650, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 ALA  HN           42 THR  HA          5.50    (#    816:25  Unique         3.57, 3.77 A)
 &rst
  ixpk= 816, nxpk= 25, iat= 702, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:817     42 THR  HA          4.50    (#    817:25  Single Ambig)
 &rst
  ixpk= 817, nxpk= 25, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 695, 679,
 &end
#
#   48 TYR  HE           42 THR  HA          4.50    (#    818:25  Unique         2.59, 4.88 A)
 &rst
  ixpk= 818, nxpk= 25, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 733, 738,
 &end
#
#    0 AMB  25-2:819     92 VAL  HA          3.50    (#    819:25  Single Ambig)
 &rst
  ixpk= 819, nxpk= 25, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1367,1420,1383,
 &end
#
#  106 ASP  HN          102 PRO  HA          5.50    (#    820:25  Unique         3.77, 3.98 A)
 &rst
  ixpk= 820, nxpk= 25, iat=1614,1555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:821     37 VAL  HA          4.50    (#    821:25  Single Ambig)
 &rst
  ixpk= 821, nxpk= 25, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 571, 629, 593,
 &end
#
#   40 LEU  HN           37 VAL  HA          4.50    (#    822:25  Unique         3.23, 3.35 A)
 &rst
  ixpk= 822, nxpk= 25, iat= 610, 557, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 VAL  HN           37 VAL  HA          4.50    (#    823:25  Unique         2.85, 2.86 A)
 &rst
  ixpk= 823, nxpk= 25, iat= 555, 557, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 GLN  HN           61 GLN  HG-         3.50    (#    824:25  Unique         2.08, 2.94 A)
 &rst
  ixpk= 824, nxpk= 25, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 926, 927,
 &end
#
#   61 GLN  HE2-         61 GLN  HG-         5.50    (#    825:25  Unique         2.23, 3.47 A)
 &rst
  ixpk= 825, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 931, 932,
 igr2= 926, 927,
 &end
#
#   61 GLN  HN           61 GLN  HG+         3.50    (#    826:25  Unique         2.08, 2.94 A)
 &rst
  ixpk= 826, nxpk= 25, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 926, 927,
 &end
#
#   49 LYS  HN           23 VAL  HB          5.50    (#    827:25  Unique         3.54, 3.63 A)
 &rst
  ixpk= 827, nxpk= 25, iat= 744, 336, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  105 GLN  HN          102 PRO  HA          5.50    (#    828:25  Unique         3.16, 3.48 A)
 &rst
  ixpk= 828, nxpk= 25, iat=1597,1555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:829    102 PRO  HA          5.50    (#    829:25  Single Ambig)
 &rst
  ixpk= 829, nxpk= 25, iat=  -1,1555, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1609,1610,1559,
 &end
#
#    0 AMB  25-2:830     90 THR  HA          4.50    (#    830:25  Single Ambig)
 &rst
  ixpk= 830, nxpk= 25, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1383,1398,1367,
 &end
#
#   90 THR  HN           90 THR  HA          4.50    (#    831:25  Unique         2.82, 2.83 A)
 &rst
  ixpk= 831, nxpk= 25, iat=1337,1339, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   96 GLN  HE2+         96 GLN  HG-         5.50    (#    832:25  Unique         2.24, 3.30 A)
 &rst
  ixpk= 832, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1449,1450,
 igr2=1444,1445,
 &end
#
#   96 GLN  HN           96 GLN  HG+         3.50    (#    833:25  Unique         2.27, 3.03 A)
 &rst
  ixpk= 833, nxpk= 25, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1444,1445,
 &end
#
#    0 AMB  25-2:834      0 AMB  25-1:834    4.50    (#    834:25  Double Ambig)
 &rst
  ixpk= 834, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1702,  64,
 igr2=1604,1605,  71,  72,
 &end
#
#    0 AMB  25-2:835      0 AMB  25-1:835    3.50    (#    835:25  Double Ambig)
 &rst
  ixpk= 835, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1609,1610, 931, 932,
 igr2=1604,1605, 926, 927,
 &end
#
#    0 AMB  25-2:836      0 AMB  25-1:836    4.50    (#    836:25  Double Ambig)
 &rst
  ixpk= 836, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 972,1757,
 igr2= 962, 963,1604,1605,
 &end
#
#   63 GLN  HE2+         63 GLN  QG          4.50    (#    837:25  Unique         2.23, 3.26 A)
 &rst
  ixpk= 837, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 967, 968,
 igr2= 962, 963,
 &end
#
#   23 VAL  HN           23 VAL  HB          4.50    (#    839:25  Unique         2.79, 2.83 A)
 &rst
  ixpk= 839, nxpk= 25, iat= 332, 336, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 VAL  HN           25 VAL  HB          4.50    (#    840:25  Unique         2.51, 2.67 A)
 &rst
  ixpk= 840, nxpk= 25, iat= 364, 368, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   96 GLN  HN           96 GLN  HG-         3.50    (#    841:25  Unique         2.27, 3.03 A)
 &rst
  ixpk= 841, nxpk= 25, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1444,1445,
 &end
#
#    0 AMB  25-2:842     96 GLN  HG-         5.50    (#    842:25  Single Ambig)
 &rst
  ixpk= 842, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1420,1383,1398,
 igr2=1444,1445,
 &end
#
#    0 AMB  25-2:843     96 GLN  HG-         4.50    (#    843:25  Single Ambig)
 &rst
  ixpk= 843, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1449,1450,1454,
 igr2=1444,1445,
 &end
#
#   43 GLN  HN           43 GLN  HG-         3.50    (#    844:25  Unique         2.52, 3.21 A)
 &rst
  ixpk= 844, nxpk= 25, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 669, 670,
 &end
#
#    0 AMB  25-2:845      0 AMB  25-1:845    4.50    (#    845:25  Double Ambig)
 &rst
  ixpk= 845, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 610, 679,
 igr2= 669, 670, 600, 601,
 &end
#
#    0 AMB  25-2:846      0 AMB  25-1:846    3.50    (#    846:25  Double Ambig)
 &rst
  ixpk= 846, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 605, 606, 674, 675,
 igr2= 600, 601, 669, 670,
 &end
#
#  105 GLN  HN          105 GLN  HG-         4.50    (#    847:25  Unique         2.27, 3.01 A)
 &rst
  ixpk= 847, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1604,1605,
 &end
#
#    0 AMB  25-2:848      0 AMB  25-1:848    4.50    (#    848:25  Double Ambig)
 &rst
  ixpk= 848, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  81,1670,
 igr2=  71,  72,1604,1605,
 &end
#
#    0 AMB  25-2:849      0 AMB  25-1:849    3.50    (#    849:25  Double Ambig)
 &rst
  ixpk= 849, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1609,1610,1454,
 igr2=1604,1605,1444,1445,
 &end
#
#    0 AMB  25-2:850      0 AMB  25-1:850    4.50    (#    850:25  Double Ambig)
 &rst
  ixpk= 850, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1609,1610,1449,1450,
 igr2=1604,1605,1444,1445,
 &end
#
#  105 GLN  HN          105 GLN  HG+         3.50    (#    851:25  Unique         2.27, 3.01 A)
 &rst
  ixpk= 851, nxpk= 25, iat=1597,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1604,1605,
 &end
#
#    0 AMB  25-2:852      0 AMB  25-1:852    5.50    (#    852:25  Double Ambig)
 &rst
  ixpk= 852, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1012, 648,
 igr2= 962, 963, 669, 670,
 &end
#
#   43 GLN  HN           43 GLN  HG+         4.50    (#    853:25  Unique         2.52, 3.21 A)
 &rst
  ixpk= 853, nxpk= 25, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 669, 670,
 &end
#
#    0 AMB  25-2:854      0 AMB  25-1:854    4.50    (#    854:25  Double Ambig)
 &rst
  ixpk= 854, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1609,1610, 967, 968,
 igr2=1604,1605, 962, 963,
 &end
#
#   40 LEU  HN           39 GLN  HG-         4.50    (#    855:25  Unique         4.40, 4.87 A)
 &rst
  ixpk= 855, nxpk= 25, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 600, 601,
 &end
#
#    0 AMB  25-2:857     22 PRO  HA          5.50    (#    857:25  Single Ambig)
 &rst
  ixpk= 857, nxpk= 25, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 332, 308,
 &end
#
#   27 SER  HN           27 SER  HB+         5.50    (#    858:25  Unique         2.58, 3.42 A)
 &rst
  ixpk= 858, nxpk= 25, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 404, 405,
 &end
#
#   27 SER  HN           27 SER  HB-         5.50    (#    859:25  Unique         2.58, 3.42 A)
 &rst
  ixpk= 859, nxpk= 25, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 404, 405,
 &end
#
#   39 GLN  HN           39 GLN  HG+         3.50    (#    860:25  Unique         2.20, 3.06 A)
 &rst
  ixpk= 860, nxpk= 25, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 600, 601,
 &end
#
#    0 AMB  25-2:861      0 AMB  25-1:861    4.50    (#    861:25  Double Ambig)
 &rst
  ixpk= 861, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 605, 606, 674, 675,
 igr2= 600, 601, 669, 670,
 &end
#
#   39 GLN  HN           39 GLN  HG-         3.50    (#    862:25  Unique         2.20, 3.06 A)
 &rst
  ixpk= 862, nxpk= 25, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 600, 601,
 &end
#
#    0 AMB  25-2:863     50 VAL  HB          5.50    (#    863:25  Single Ambig)
 &rst
  ixpk= 863, nxpk= 25, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 731, 740, 733, 738,
 &end
#
#   50 VAL  HN           50 VAL  HB          3.50    (#    864:25  Unique         2.67, 2.97 A)
 &rst
  ixpk= 864, nxpk= 25, iat= 766, 770, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:865     50 VAL  HB          4.50    (#    865:25  Single Ambig)
 &rst
  ixpk= 865, nxpk= 25, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 782, 798,
 &end
#
#    0 AMB  25-2:866     83 LYS  QB          4.50    (#    866:25  Single Ambig)
 &rst
  ixpk= 866, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1264,1209,
 igr2=1246,1247,
 &end
#
#   83 LYS  HN           83 LYS  QB          3.50    (#    867:25  Unique         2.47, 3.02 A)
 &rst
  ixpk= 867, nxpk= 25, iat=1242,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1246,1247,
 &end
#
#   29 THR  HN           29 THR  HA          4.50    (#    868:25  Unique         2.77, 2.82 A)
 &rst
  ixpk= 868, nxpk= 25, iat= 433, 435, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 VAL  HN           78 VAL  HB          4.50    (#    869:25  Unique         2.59, 2.69 A)
 &rst
  ixpk= 869, nxpk= 25, iat=1173,1177, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 GLY  HN           78 VAL  HB          5.50    (#    870:25  Unique         3.04, 3.24 A)
 &rst
  ixpk= 870, nxpk= 25, iat=1300,1177, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  113 ASN  HN          112 LYS  HB+         5.50    (#    871:25  Unique         2.37, 3.63 A)
 &rst
  ixpk= 871, nxpk= 25, iat=1702,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1684,1685,
 &end
#
#   84 GLN  HE2-         84 GLN  HG-         5.50    (#    872:25  Unique         2.18, 3.16 A)
 &rst
  ixpk= 872, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1276,1277,
 igr2=1271,1272,
 &end
#
#    0 AMB  25-2:873      0 AMB  25-1:873    4.50    (#    873:25  Double Ambig)
 &rst
  ixpk= 873, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1276,1277,1300,
 igr2=1271,1272,1271,1272,
 &end
#
#    0 AMB  25-2:874      0 AMB  25-1:874    4.50    (#    874:25  Double Ambig)
 &rst
  ixpk= 874, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 593, 571,
 igr2= 575, 576, 575, 576,
 &end
#
#    0 AMB  25-2:875     38 LYS  HB-         4.50    (#    875:25  Single Ambig)
 &rst
  ixpk= 875, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 593, 571,
 igr2= 575, 576,
 &end
#
#  112 LYS  HN          112 LYS  HB+         3.50    (#    876:25  Unique         2.26, 2.97 A)
 &rst
  ixpk= 876, nxpk= 25, iat=1680,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1684,1685,
 &end
#
#   84 GLN  HN           84 GLN  HG-         4.50    (#    877:25  Unique         2.43, 4.31 A)
 &rst
  ixpk= 877, nxpk= 25, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1271,1272,
 &end
#
#    0 AMB  25-2:878     84 GLN  HG-         4.50    (#    878:25  Single Ambig)
 &rst
  ixpk= 878, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1276,1277,1300,
 igr2=1271,1272,
 &end
#
#  105 GLN  HE2-        112 LYS  HB-         5.50    (#    879:25  Unique         1.93, 4.63 A)
 &rst
  ixpk= 879, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1609,1610,
 igr2=1684,1685,
 &end
#
#  112 LYS  HN          112 LYS  HB-         4.50    (#    880:25  Unique         2.26, 2.97 A)
 &rst
  ixpk= 880, nxpk= 25, iat=1680,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1684,1685,
 &end
#
#   26 PHE  HD           51 VAL  HB          4.50    (#    881:25  Unique         2.41, 4.03 A)
 &rst
  ixpk= 881, nxpk= 25, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 388, 396,
 &end
#
#   85 ILE  HN           84 GLN  HG+         4.50    (#    882:25  Unique         2.19, 3.76 A)
 &rst
  ixpk= 882, nxpk= 25, iat=1281,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1271,1272,
 &end
#
#   84 GLN  HN           84 GLN  HG+         4.50    (#    883:25  Unique         2.43, 4.31 A)
 &rst
  ixpk= 883, nxpk= 25, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1271,1272,
 &end
#
#   84 GLN  HE2-         84 GLN  HG+         5.50    (#    884:25  Unique         2.18, 3.16 A)
 &rst
  ixpk= 884, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1276,1277,
 igr2=1271,1272,
 &end
#
#    4 LYS  HN            3 SER  HB-         5.50    (#    885:25  Unique         2.62, 3.41 A)
 &rst
  ixpk= 885, nxpk= 25, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  35,  36,
 &end
#
#    5 GLN  HN            3 SER  HB-         5.50    (#    886:25  Unique         2.73, 4.57 A)
 &rst
  ixpk= 886, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  35,  36,
 &end
#
#    5 GLN  HN            3 SER  HB+         5.50    (#    887:25  Unique         2.73, 4.57 A)
 &rst
  ixpk= 887, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  35,  36,
 &end
#
#    4 LYS  HN            3 SER  HB+         5.50    (#    888:25  Unique         2.62, 3.41 A)
 &rst
  ixpk= 888, nxpk= 25, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  35,  36,
 &end
#
#   52 GLU  HN           52 GLU  QG          4.50    (#    889:25  Unique         2.34, 3.19 A)
 &rst
  ixpk= 889, nxpk= 25, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 805, 806,
 &end
#
#   51 VAL  HN           51 VAL  HB          4.50    (#    890:25  Unique         2.64, 2.84 A)
 &rst
  ixpk= 890, nxpk= 25, iat= 782, 786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LYS  HN           13 LYS  HB+         3.50    (#    891:25  Unique         2.37, 2.52 A)
 &rst
  ixpk= 891, nxpk= 25, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 192, 193,
 &end
#
#    0 AMB  25-2:892      0 AMB  25-1:892    5.50    (#    892:25  Double Ambig)
 &rst
  ixpk= 892, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 242, 220,
 igr2= 170, 171, 192, 193,
 &end
#
#   13 LYS  HN           12 LYS  QB          3.50    (#    893:25  Unique         2.55, 3.25 A)
 &rst
  ixpk= 893, nxpk= 25, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 170, 171,
 &end
#
#    4 LYS  HN            4 LYS  HB-         3.50    (#    894:25  Unique         2.34, 2.74 A)
 &rst
  ixpk= 894, nxpk= 25, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  46,  47,
 &end
#
#   12 LYS  HN           12 LYS  QB          2.50    (#    895:25  Unique         2.30, 2.62 A)
 &rst
  ixpk= 895, nxpk= 25, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 170, 171,
 &end
#
#   34 CYS  HN           34 CYS  HA          5.50    (#    896:25  Unique         2.85, 2.90 A)
 &rst
  ixpk= 896, nxpk= 25, iat= 506, 508, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 VAL  HN           22 PRO  HB+         5.50    (#    897:25  Unique         3.76, 4.18 A)
 &rst
  ixpk= 897, nxpk= 25, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 325, 326,
 &end
#
#   23 VAL  HN           22 PRO  HB-         4.50    (#    898:25  Unique         3.76, 4.18 A)
 &rst
  ixpk= 898, nxpk= 25, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 325, 326,
 &end
#
#    0 AMB  25-2:899      0 AMB  25-1:899    3.50    (#    899:25  Double Ambig)
 &rst
  ixpk= 899, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1398,1420,
 igr2=1402,1403,1402,1403,
 &end
#
#    5 GLN  HN            4 LYS  HB+         4.50    (#    900:25  Unique         2.68, 3.51 A)
 &rst
  ixpk= 900, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  46,  47,
 &end
#
#    4 LYS  HN            4 LYS  HB+         3.50    (#    901:25  Unique         2.34, 2.74 A)
 &rst
  ixpk= 901, nxpk= 25, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  46,  47,
 &end
#
#    5 GLN  HN            4 LYS  HB-         4.50    (#    902:25  Unique         2.68, 3.51 A)
 &rst
  ixpk= 902, nxpk= 25, iat=  64,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  46,  47,
 &end
#
#    0 AMB  25-2:903      0 AMB  25-1:903    5.50    (#    903:25  Double Ambig)
 &rst
  ixpk= 903, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  81, 127, 137,
 igr2=  46,  47, 170, 171,
 &end
#
#   94 LYS  HN           94 LYS  HB-         4.50    (#    904:25  Unique         2.40, 3.02 A)
 &rst
  ixpk= 904, nxpk= 25, iat=1398,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1402,1403,
 &end
#
#    0 AMB  25-2:905      0 AMB  25-1:905    3.50    (#    905:25  Double Ambig)
 &rst
  ixpk= 905, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 220, 242,1507,
 igr2= 224, 225,1402,1403,
 &end
#
#   19 SER  HN           19 SER  HB+         4.50    (#    906:25  Unique         2.51, 3.19 A)
 &rst
  ixpk= 906, nxpk= 25, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 290, 291,
 &end
#
#   20 SER  HN           19 SER  HB-         5.50    (#    907:25  Unique         3.23, 4.06 A)
 &rst
  ixpk= 907, nxpk= 25, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 290, 291,
 &end
#
#   19 SER  HN           19 SER  HB-         4.50    (#    908:25  Unique         2.51, 3.19 A)
 &rst
  ixpk= 908, nxpk= 25, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 290, 291,
 &end
#
#   99 GLU  HN           99 GLU  HB+         4.50    (#    909:25  Unique         2.29, 2.69 A)
 &rst
  ixpk= 909, nxpk= 25, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1496,1497,
 &end
#
#   99 GLU  HN           99 GLU  HB-         4.50    (#    910:25  Unique         2.29, 2.69 A)
 &rst
  ixpk= 910, nxpk= 25, iat=1492,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1496,1497,
 &end
#
#   77 ASN  HN           75 VAL  HB          5.50    (#    911:25  Unique         4.11, 4.38 A)
 &rst
  ixpk= 911, nxpk= 25, iat=1159,1133, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:912     92 VAL  HB          3.50    (#    912:25  Single Ambig)
 &rst
  ixpk= 912, nxpk= 25, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1367,1383,
 &end
#
#   20 SER  HN           20 SER  HB+         5.50    (#    913:25  Unique         2.36, 2.99 A)
 &rst
  ixpk= 913, nxpk= 25, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 301, 302,
 &end
#
#   20 SER  HN           20 SER  HB-         4.50    (#    914:25  Unique         2.36, 2.99 A)
 &rst
  ixpk= 914, nxpk= 25, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 301, 302,
 &end
#
#   47 SER  HN           47 SER  HB+         3.50    (#    915:25  Unique         2.44, 3.07 A)
 &rst
  ixpk= 915, nxpk= 25, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 716, 717,
 &end
#
#   48 TYR  HD           47 SER  HB-         5.50    (#    916:25  Unique         5.49, 7.02 A)
 &rst
  ixpk= 916, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 731, 740,
 igr2= 716, 717,
 &end
#
#   47 SER  HN           47 SER  HB-         3.50    (#    917:25  Unique         2.44, 3.07 A)
 &rst
  ixpk= 917, nxpk= 25, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 716, 717,
 &end
#
#   48 TYR  HN           47 SER  HB-         4.50    (#    918:25  Unique         3.09, 3.89 A)
 &rst
  ixpk= 918, nxpk= 25, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 716, 717,
 &end
#
#    0 AMB  25-2:919     91 VAL  HB          4.50    (#    919:25  Single Ambig)
 &rst
  ixpk= 919, nxpk= 25, iat=  -1,1355, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1367,1420,1398,
 &end
#
#   38 LYS  HN           37 VAL  HB          4.50    (#    920:25  Unique         2.52, 2.62 A)
 &rst
  ixpk= 920, nxpk= 25, iat= 571, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 VAL  HN           37 VAL  HB          2.50    (#    921:25  Unique         2.36, 2.44 A)
 &rst
  ixpk= 921, nxpk= 25, iat= 555, 559, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  25-2:922      0 AMB  25-1:922    4.50    (#    922:25  Double Ambig)
 &rst
  ixpk= 922, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1168,1169,1084,
 igr2=1088,1089,1088,1089,
 &end
#
#    0 AMB  25-2:923     72 ARG  HB-         4.50    (#    923:25  Single Ambig)
 &rst
  ixpk= 923, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1168,1169,1084,
 igr2=1088,1089,
 &end
#
#  115 ALA  HN          114 PRO  HA          3.50    (#    924:25  Unique         2.49, 3.41 A)
 &rst
  ixpk= 924, nxpk= 25, iat=1730,1726, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   96 GLN  HN           95 HIS  HB+         5.50    (#    925:25  Unique         2.51, 3.29 A)
 &rst
  ixpk= 925, nxpk= 25, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1424,1425,
 &end
#
#   44 VAL  HN           44 VAL  HB          4.50    (#    926:25  Unique         2.37, 3.42 A)
 &rst
  ixpk= 926, nxpk= 25, iat= 679, 683, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:927     38 LYS  HD-         5.50    (#    927:25  Single Ambig)
 &rst
  ixpk= 927, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 571, 593,
 igr2= 581, 582,
 &end
#
#    0 AMB  25-2:928      0 AMB  25-1:928    5.50    (#    928:25  Double Ambig)
 &rst
  ixpk= 928, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 571, 593,
 igr2= 581, 582, 581, 582,
 &end
#
#   69 TRP  HE3          69 TRP  HB+         5.50    (#    930:25  Unique         2.47, 2.97 A)
 &rst
  ixpk= 930, nxpk= 25, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1043,1044,
 &end
#
#   96 GLN  HN           95 HIS  HB-         5.50    (#    931:25  Unique         2.51, 3.29 A)
 &rst
  ixpk= 931, nxpk= 25, iat=1437,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1424,1425,
 &end
#
#   69 TRP  HN           69 TRP  HB+         5.50    (#    932:25  Unique         2.23, 2.40 A)
 &rst
  ixpk= 932, nxpk= 25, iat=1039,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1043,1044,
 &end
#
#  103 LEU  HN          102 PRO  HB+         5.50    (#    933:25  Unique         2.45, 3.36 A)
 &rst
  ixpk= 933, nxpk= 25, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1552,1553,
 &end
#
#  103 LEU  HN          102 PRO  HB-         5.50    (#    934:25  Unique         2.45, 3.36 A)
 &rst
  ixpk= 934, nxpk= 25, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1552,1553,
 &end
#
#    0 AMB  25-2:936      0 AMB  25-1:936    5.50    (#    936:25  Double Ambig)
 &rst
  ixpk= 936, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 105, 106, 107, 109, 110, 111, 105, 106, 107, 109,
       110, 111,
 igr2= 976, 977, 976, 977,
 &end
#
#    0 AMB  25-2:937      0 AMB  25-1:937    4.50    (#    937:25  Double Ambig)
 &rst
  ixpk= 937, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 987, 988, 989,1016,1017,1018,
 igr2= 976, 977, 976, 977,
 &end
#
#    7 LEU  MDY          64 SER  HB-         5.50    (#    938:25  Unique         2.66, 4.74 A)
 &rst
  ixpk= 938, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 105, 106, 107, 109, 110, 111,
 igr2= 976, 977,
 &end
#
#   64 SER  HA           64 SER  HB-         2.50    (#    939:25  Unique         2.42, 2.75 A)
 &rst
  ixpk= 939, nxpk= 25, iat= 974,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 976, 977,
 &end
#
#    0 AMB  25-2:940     64 SER  HB-         4.50    (#    940:25  Single Ambig)
 &rst
  ixpk= 940, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 987, 988, 989,1016,1017,1018,
 igr2= 976, 977,
 &end
#
#   88 CYS  HB+          88 CYS  HA          4.50    (#    941:25  Unique         2.35, 2.57 A)
 &rst
  ixpk= 941, nxpk= 25, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1318,1319,
 &end
#
#   88 CYS  HB-          88 CYS  HA          4.50    (#    942:25  Unique         2.35, 2.57 A)
 &rst
  ixpk= 942, nxpk= 25, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1318,1319,
 &end
#
#    0 AMB  25-2:943     88 CYS  HA          5.50    (#    943:25  Single Ambig)
 &rst
  ixpk= 943, nxpk= 25, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 559,1355,
 &end
#
#    0 AMB  25-2:944     88 CYS  HA          5.50    (#    944:25  Single Ambig)
 &rst
  ixpk= 944, nxpk= 25, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1149,1150,1152,1153,
 &end
#
#   37 VAL  MGY          88 CYS  HA          3.50    (#    945:25  Unique         2.14, 3.77 A)
 &rst
  ixpk= 945, nxpk= 25, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#   52 GLU  HB-          55 GLU  HB+         5.50    (#    946:25  Unique         2.51, 4.45 A)
 &rst
  ixpk= 946, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 802, 803,
 igr2= 848, 849,
 &end
#
#   57 SER  HA           57 SER  QB          2.50    (#    949:25  Unique         2.30, 2.70 A)
 &rst
  ixpk= 949, nxpk= 25, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 882, 883,
 &end
#
#   63 GLN  HB+          60 SER  HA          4.50    (#    950:25  Unique         2.33, 3.16 A)
 &rst
  ixpk= 950, nxpk= 25, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 959, 960,
 &end
#
#    0 AMB  25-2:951     88 CYS  HA          4.50    (#    951:25  Single Ambig)
 &rst
  ixpk= 951, nxpk= 25, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 561, 562, 563, 565, 566, 567,1357,1358,1359,1361,
      1362,1363,1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  25-2:953      0 AMB  25-1:953    5.50    (#    953:25  Double Ambig)
 &rst
  ixpk= 953, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1016,1017,1018, 987, 988, 989,
 igr2=1026,1027,1026,1027,
 &end
#
#   68 HIS  HA           68 HIS  HB-         3.50    (#    954:25  Unique         2.29, 2.66 A)
 &rst
  ixpk= 954, nxpk= 25, iat=1024,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1026,1027,
 &end
#
#    0 AMB  25-2:955     68 HIS  HB-         5.50    (#    955:25  Single Ambig)
 &rst
  ixpk= 955, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1016,1017,1018, 987, 988, 989,
 igr2=1026,1027,
 &end
#
#   11 LEU  MDX          68 HIS  HB-         5.50    (#    956:25  Unique         4.50, 7.62 A)
 &rst
  ixpk= 956, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 156, 157, 158, 160, 161, 162,
 igr2=1026,1027,
 &end
#
#    7 LEU  MDX          68 HIS  HB-         5.50    (#    957:25  Unique         2.50, 4.16 A)
 &rst
  ixpk= 957, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 105, 106, 107, 109, 110, 111,
 igr2=1026,1027,
 &end
#
#   60 SER  QB           60 SER  HA          2.50    (#    959:25  Unique         2.39, 2.72 A)
 &rst
  ixpk= 959, nxpk= 25, iat=  -1, 910, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 912, 913,
 &end
#
#   68 HIS  HA           68 HIS  HB+         3.50    (#    960:25  Unique         2.29, 2.66 A)
 &rst
  ixpk= 960, nxpk= 25, iat=1024,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1026,1027,
 &end
#
#   17 LEU  HG           13 LYS  HD-         5.50    (#    963:25  Unique         2.71, 4.69 A)
 &rst
  ixpk= 963, nxpk= 25, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 198, 199,
 &end
#
#   60 SER  HA           60 SER  QB          3.50    (#    965:25  Unique         2.39, 2.72 A)
 &rst
  ixpk= 965, nxpk= 25, iat= 910,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 912, 913,
 &end
#
#   63 GLN  HB+          64 SER  HA          5.50    (#    966:25  Unique         3.93, 5.03 A)
 &rst
  ixpk= 966, nxpk= 25, iat=  -1, 974, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 959, 960,
 &end
#
#   70 THR  MG2          70 THR  HA          3.50    (#    967:25  Unique         2.45, 3.16 A)
 &rst
  ixpk= 967, nxpk= 25, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1069,1070,1071,
 &end
#
#    0 AMB  25-2:969      0 AMB  25-1:969    3.50    (#    969:25  Double Ambig)
 &rst
  ixpk= 969, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 538, 539, 198, 199,
 igr2= 535, 536, 246, 247,
 &end
#
#    0 AMB  25-2:970      0 AMB  25-1:970    3.50    (#    970:25  Double Ambig)
 &rst
  ixpk= 970, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 538, 539, 195, 196,
 igr2= 535, 536, 246, 247,
 &end
#
#   33 TYR  HA           36 ARG  HB-         5.50    (#    971:25  Unique         2.28, 2.84 A)
 &rst
  ixpk= 971, nxpk= 25, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 535, 536,
 &end
#
#   33 TYR  HA           36 ARG  HB+         4.50    (#    972:25  Unique         2.28, 2.84 A)
 &rst
  ixpk= 972, nxpk= 25, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 535, 536,
 &end
#
#    6 GLU  HA            6 GLU  HB+         3.50    (#    973:25  Unique         2.44, 2.77 A)
 &rst
  ixpk= 973, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  85,  86,
 &end
#
#    0 AMB  25-2:974      0 AMB  25-1:974    2.50    (#    974:25  Double Ambig)
 &rst
  ixpk= 974, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=  88,  89,1747,1748,
 igr2=  85,  86,1744,1745,
 &end
#
#   28 LYS  HE-          28 LYS  HD-         4.50    (#    975:25  Unique         2.36, 2.72 A)
 &rst
  ixpk= 975, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 424, 425,
 igr2= 421, 422,
 &end
#
#    0 AMB  25-2:977     28 LYS  HD-         4.50    (#    977:25  Single Ambig)
 &rst
  ixpk= 977, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 415, 416, 415, 416,
 igr2= 421, 422,
 &end
#
#   75 VAL  MGX          28 LYS  HD-         4.50    (#    978:25  Unique         2.29, 4.99 A)
 &rst
  ixpk= 978, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1135,1136,1137,1139,1140,1141,
 igr2= 421, 422,
 &end
#
#   13 LYS  HA           13 LYS  HD-         5.50    (#    979:25  Unique         2.14, 3.83 A)
 &rst
  ixpk= 979, nxpk= 25, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 198, 199,
 &end
#
#   13 LYS  QE           13 LYS  HD-         3.50    (#    980:25  Unique         2.37, 2.73 A)
 &rst
  ixpk= 980, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 201, 202,
 igr2= 198, 199,
 &end
#
#   13 LYS  HG-          13 LYS  HD-         3.50    (#    982:25  Unique         2.26, 2.72 A)
 &rst
  ixpk= 982, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 195, 196,
 igr2= 198, 199,
 &end
#
#   13 LYS  HG+          13 LYS  HD-         3.50    (#    983:25  Unique         2.26, 2.72 A)
 &rst
  ixpk= 983, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 195, 196,
 igr2= 198, 199,
 &end
#
#    0 AMB  25-2:984     13 LYS  HD-         3.50    (#    984:25  Single Ambig)
 &rst
  ixpk= 984, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 945, 946, 947, 949, 950, 951, 266, 267, 268, 270,
       271, 272, 868, 869, 870, 872, 873, 874,
 igr2= 198, 199,
 &end
#
#   13 LYS  HG+          13 LYS  HD+         3.50    (#    986:25  Unique         2.26, 2.72 A)
 &rst
  ixpk= 986, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 195, 196,
 igr2= 198, 199,
 &end
#
#    0 AMB  25-2:987      0 AMB  25-1:987    3.50    (#    987:25  Double Ambig)
 &rst
  ixpk= 987, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 945, 946, 947, 949, 950, 951, 266, 267, 268, 270,
       271, 272, 868, 869, 870, 872, 873, 874,
 igr2= 198, 199, 198, 199, 198, 199,
 &end
#
#   13 LYS  HA           13 LYS  HD+         5.50    (#    989:25  Unique         2.14, 3.83 A)
 &rst
  ixpk= 989, nxpk= 25, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 198, 199,
 &end
#
#   24 VAL  MGX          49 LYS  QD          4.50    (#    991:25  Unique         2.39, 4.47 A)
 &rst
  ixpk= 991, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 754, 755,
 &end
#
#    0 AMB  25-2:993     33 TYR  HA          4.50    (#    993:25  Single Ambig)
 &rst
  ixpk= 993, nxpk= 25, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 541, 542, 489, 490,
 &end
#
#   33 TYR  HB-          33 TYR  HA          4.50    (#    994:25  Unique         2.48, 2.77 A)
 &rst
  ixpk= 994, nxpk= 25, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 489, 490,
 &end
#
#   36 ARG  HB-          33 TYR  HA          4.50    (#    995:25  Unique         2.28, 2.84 A)
 &rst
  ixpk= 995, nxpk= 25, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 535, 536,
 &end
#
#   36 ARG  HB+          33 TYR  HA          3.50    (#    996:25  Unique         2.28, 2.84 A)
 &rst
  ixpk= 996, nxpk= 25, iat=  -1, 487, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 535, 536,
 &end
#
#    0 AMB  25-2:997      0 AMB  25-1:997    4.50    (#    997:25  Double Ambig)
 &rst
  ixpk= 997, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 538, 539,1650,1651,1652,
 igr2= 487,1658,
 &end
#
#    0 AMB  25-2:998      0 AMB  25-1:998    3.50    (#    998:25  Double Ambig)
 &rst
  ixpk= 998, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 959, 960, 923, 924, 666, 667,
 igr2= 912, 913, 681,
 &end
#
#    0 AMB  25-2:999      0 AMB  25-1:999    2.50    (#    999:25  Double Ambig)
 &rst
  ixpk= 999, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1= 683, 926, 927,
 igr2= 681, 912, 913,
 &end
#
#   44 VAL  MGY          44 VAL  HA          2.50    (#   1000:25  Unique         2.37, 3.50 A)
 &rst
  ixpk= 1000, nxpk= 25, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
#   67 ALA  MB           64 SER  HA          3.50    (#   1001:25  Unique         2.63, 3.56 A)
 &rst
  ixpk= 1001, nxpk= 25, iat=  -1, 974, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1016,1017,1018,
 &end
#
#   36 ARG  HD+          36 ARG  HB-         5.50    (#   1003:25  Unique         2.37, 3.03 A)
 &rst
  ixpk= 1003, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 541, 542,
 igr2= 535, 536,
 &end
#
#   36 ARG  HD-          36 ARG  HB-         5.50    (#   1004:25  Unique         2.37, 3.03 A)
 &rst
  ixpk= 1004, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 541, 542,
 igr2= 535, 536,
 &end
#
#    0 AMB  25-2:1005     0 AMB  25-1:1005   2.50    (#   1005:25  Double Ambig)
 &rst
  ixpk= 1005, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=1390,1391,1747,1748,
 igr2=1387,1388,1744,1745,
 &end
#
#  116 GLN  HA          116 GLN  HB+         4.50    (#   1006:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 1006, nxpk= 25, iat=1742,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1744,1745,
 &end
#
#    0 AMB  25-2:1008     0 AMB  25-1:1008   5.50    (#   1008:25  Double Ambig)
 &rst
  ixpk= 1008, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 561, 562, 563, 565, 566, 567,1373,1374,1375,1377,
      1378,1379,
 igr2= 535, 536, 535, 536,
 &end
#
#   36 ARG  HD-          36 ARG  HB+         4.50    (#   1009:25  Unique         2.37, 3.03 A)
 &rst
  ixpk= 1009, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 541, 542,
 igr2= 535, 536,
 &end
#
#   36 ARG  HD+          36 ARG  HB+         5.50    (#   1010:25  Unique         2.37, 3.03 A)
 &rst
  ixpk= 1010, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 541, 542,
 igr2= 535, 536,
 &end
#
#   36 ARG  HG-          36 ARG  HB+         3.50    (#   1011:25  Unique         2.36, 2.76 A)
 &rst
  ixpk= 1011, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 538, 539,
 igr2= 535, 536,
 &end
#
#   37 VAL  MGX          36 ARG  HB+         5.50    (#   1012:25  Unique         3.41, 6.35 A)
 &rst
  ixpk= 1012, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 561, 562, 563, 565, 566, 567,
 igr2= 535, 536,
 &end
#
#  116 GLN  HA          116 GLN  HB-         5.50    (#   1013:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 1013, nxpk= 25, iat=1742,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1744,1745,
 &end
#
#   12 LYS  HA           12 LYS  QD          4.50    (#   1015:25  Unique         3.75, 4.51 A)
 &rst
  ixpk= 1015, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 176, 177,
 &end
#
#   12 LYS  QB           12 LYS  QD          2.50    (#   1016:25  Unique         2.36, 2.90 A)
 &rst
  ixpk= 1016, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 170, 171,
 igr2= 176, 177,
 &end
#
#    0 AMB  25-2:1017    12 LYS  QD          4.50    (#   1017:25  Single Ambig)
 &rst
  ixpk= 1017, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 129, 190,
 igr2= 176, 177,
 &end
#
#   12 LYS  QE           12 LYS  QD          2.50    (#   1018:25  Unique         2.35, 2.71 A)
 &rst
  ixpk= 1018, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 179, 180,
 igr2= 176, 177,
 &end
#
#   12 LYS  HG+          12 LYS  QD          2.50    (#   1019:25  Unique         2.37, 2.74 A)
 &rst
  ixpk= 1019, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 173, 174,
 igr2= 176, 177,
 &end
#
#   12 LYS  HG-          12 LYS  QD          2.50    (#   1020:25  Unique         2.37, 2.74 A)
 &rst
  ixpk= 1020, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 173, 174,
 igr2= 176, 177,
 &end
#
#   49 LYS  HE-          49 LYS  QD          2.50    (#   1021:25  Unique         2.32, 2.63 A)
 &rst
  ixpk= 1021, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 757, 758,
 igr2= 754, 755,
 &end
#
#   49 LYS  HE+          49 LYS  QD          3.50    (#   1022:25  Unique         2.32, 2.63 A)
 &rst
  ixpk= 1022, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 757, 758,
 igr2= 754, 755,
 &end
#
#   49 LYS  HG+          49 LYS  QD          2.50    (#   1023:25  Unique         2.38, 2.77 A)
 &rst
  ixpk= 1023, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 751, 752,
 igr2= 754, 755,
 &end
#
#   17 LEU  HB-          49 LYS  QD          5.50    (#   1024:25  Unique         3.56, 5.74 A)
 &rst
  ixpk= 1024, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 261, 262,
 igr2= 754, 755,
 &end
#
#   51 VAL  MGX          49 LYS  QD          4.50    (#   1025:25  Unique         2.58, 6.05 A)
 &rst
  ixpk= 1025, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 754, 755,
 &end
#
#   85 ILE  HG1+         94 LYS  HD+         5.50    (#   1026:25  Unique         4.42, 6.38 A)
 &rst
  ixpk= 1026, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1291,1292,
 igr2=1408,1409,
 &end
#
#   12 LYS  QB           15 LYS  QD          5.50    (#   1027:25  Unique         4.36, 6.19 A)
 &rst
  ixpk= 1027, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 170, 171,
 igr2= 230, 231,
 &end
#
#   12 LYS  HA           15 LYS  QD          4.50    (#   1028:25  Unique         2.76, 3.80 A)
 &rst
  ixpk= 1028, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 230, 231,
 &end
#
#   15 LYS  HE-          15 LYS  QD          3.50    (#   1029:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1029, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 233, 234,
 igr2= 230, 231,
 &end
#
#   15 LYS  HE+          15 LYS  QD          3.50    (#   1030:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1030, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 233, 234,
 igr2= 230, 231,
 &end
#
#    0 AMB  25-2:1031    15 LYS  QD          2.50    (#   1031:25  Single Ambig)
 &rst
  ixpk= 1031, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1= 224, 225, 154, 173, 174,
 igr2= 230, 231,
 &end
#
#   15 LYS  HG-          15 LYS  QD          3.50    (#   1032:25  Unique         2.44, 2.76 A)
 &rst
  ixpk= 1032, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 227, 228,
 igr2= 230, 231,
 &end
#
#   15 LYS  HG+          15 LYS  QD          3.50    (#   1033:25  Unique         2.44, 2.76 A)
 &rst
  ixpk= 1033, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 227, 228,
 igr2= 230, 231,
 &end
#
#    0 AMB  25-2:1034   110 THR  HA          5.50    (#   1034:25  Single Ambig)
 &rst
  ixpk= 1034, nxpk= 25, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1687,1688,1674,1675,1676,1582,1583,
 &end
#
#   46 ALA  MB          110 THR  HA          5.50    (#   1035:25  Unique         4.08, 5.44 A)
 &rst
  ixpk= 1035, nxpk= 25, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 706, 707, 708,
 &end
#
#  110 THR  MG2         110 THR  HA          3.50    (#   1036:25  Unique         2.37, 3.20 A)
 &rst
  ixpk= 1036, nxpk= 25, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1662,1663,1664,
 &end
#
#    0 AMB  25-2:1037   110 THR  HA          5.50    (#   1037:25  Single Ambig)
 &rst
  ixpk= 1037, nxpk= 25, iat=  -1,1658, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1650,1651,1652,1640,1641,1642,
 &end
#
#  101 LEU  MDX          44 VAL  HA          5.50    (#   1038:25  Unique         3.62, 5.60 A)
 &rst
  ixpk= 1038, nxpk= 25, iat=  -1, 681, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1535,1536,1537,1539,1540,1541,
 &end
#
#   57 SER  QB           57 SER  HA          2.50    (#   1039:25  Unique         2.30, 2.70 A)
 &rst
  ixpk= 1039, nxpk= 25, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 882, 883,
 &end
#
#    0 AMB  25-2:1041     0 AMB  25-1:1041   2.50    (#   1041:25  Double Ambig)
 &rst
  ixpk= 1041, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 190, 533,1385,
 igr2= 246, 247, 535, 536,1387,1388,
 &end
#
#    0 AMB  25-2:1042     0 AMB  25-1:1042   4.50    (#   1042:25  Double Ambig)
 &rst
  ixpk= 1042, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1= 264,1373,1374,1375,1377,1378,1379,
 igr2= 246, 247,1387,1388, 535, 536,
 &end
#
#    0 AMB  25-2:1043     0 AMB  25-1:1043   3.50    (#   1043:25  Double Ambig)
 &rst
  ixpk= 1043, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 244,1339,
 igr2= 246, 247,1387,1388,
 &end
#
#   13 LYS  HD+          16 GLU  HB+         5.50    (#   1044:25  Unique         2.59, 5.86 A)
 &rst
  ixpk= 1044, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 198, 199,
 igr2= 246, 247,
 &end
#
#    0 AMB  25-2:1045     0 AMB  25-1:1045   2.50    (#   1045:25  Double Ambig)
 &rst
  ixpk= 1045, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 190, 533,
 igr2= 246, 247, 535, 536,
 &end
#
#   16 GLU  HA           16 GLU  HB-         3.50    (#   1046:25  Unique         2.49, 2.80 A)
 &rst
  ixpk= 1046, nxpk= 25, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 246, 247,
 &end
#
#    0 AMB  25-2:1047     0 AMB  25-1:1047   5.50    (#   1047:25  Double Ambig)
 &rst
  ixpk= 1047, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 192, 193, 170, 171,1149,1150,
 igr2= 246, 247, 535, 536,
 &end
#
#    0 AMB  25-2:1048     0 AMB  25-1:1048   4.50    (#   1048:25  Double Ambig)
 &rst
  ixpk= 1048, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 538, 539, 198, 199,
 igr2= 535, 536, 246, 247,
 &end
#
#    0 AMB  25-2:1049    16 GLU  HB-         5.50    (#   1049:25  Single Ambig)
 &rst
  ixpk= 1049, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 173, 174, 224, 225,
 igr2= 246, 247,
 &end
#
#   17 LEU  HG           16 GLU  HB-         5.50    (#   1050:25  Unique         3.28, 4.22 A)
 &rst
  ixpk= 1050, nxpk= 25, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 246, 247,
 &end
#
#    0 AMB  25-2:1051     0 AMB  25-1:1051   4.50    (#   1051:25  Double Ambig)
 &rst
  ixpk= 1051, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 259,1400,
 igr2= 754, 755,1408,1409,
 &end
#
#   17 LEU  HB+          49 LYS  QD          5.50    (#   1053:25  Unique         3.56, 5.74 A)
 &rst
  ixpk= 1053, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 261, 262,
 igr2= 754, 755,
 &end
#
#   17 LEU  HB-          49 LYS  QD          5.50    (#   1054:25  Unique         3.56, 5.74 A)
 &rst
  ixpk= 1054, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 261, 262,
 igr2= 754, 755,
 &end
#
#    0 AMB  25-2:1056    51 VAL  HA          4.50    (#   1056:25  Single Ambig)
 &rst
  ixpk= 1056, nxpk= 25, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 805, 806, 802, 803,
 &end
#
#   51 VAL  HB           51 VAL  HA          4.50    (#   1057:25  Unique         3.02, 3.04 A)
 &rst
  ixpk= 1057, nxpk= 25, iat= 786, 784, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1058    51 VAL  HA          2.50    (#   1058:25  Single Ambig)
 &rst
  ixpk= 1058, nxpk= 25, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 788, 789, 790, 792, 793, 794, 772, 773, 774, 776,
       777, 778,
 &end
#
#   51 VAL  MGX          51 VAL  HA          3.50    (#   1059:25  Unique         2.46, 3.17 A)
 &rst
  ixpk= 1059, nxpk= 25, iat=  -1, 784, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#  105 GLN  HA          112 LYS  QD          7.00    (#   1060:25  Unique         4.86, 7.06 A)
 &rst
  ixpk= 1060, nxpk= 25, iat=1599,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1690,1691,
 &end
#
#  112 LYS  HA          112 LYS  QD          4.50    (#   1061:25  Unique         2.37, 4.36 A)
 &rst
  ixpk= 1061, nxpk= 25, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1690,1691,
 &end
#
#    0 AMB  25-2:1062     0 AMB  25-1:1062   2.50    (#   1062:25  Double Ambig)
 &rst
  ixpk= 1062, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=1687,1688,  49,  50,
 igr2=1690,1691,  52,  53,
 &end
#
#    0 AMB  25-2:1063    94 LYS  HD-         5.50    (#   1063:25  Single Ambig)
 &rst
  ixpk= 1063, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1496,1497,1387,1388,1563,1564,
 igr2=1408,1409,
 &end
#
#   94 LYS  HB+          94 LYS  HD-         4.50    (#   1064:25  Unique         2.41, 3.26 A)
 &rst
  ixpk= 1064, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1402,1403,
 igr2=1408,1409,
 &end
#
#   85 ILE  MG2          94 LYS  HD-         3.50    (#   1065:25  Unique         2.75, 3.52 A)
 &rst
  ixpk= 1065, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1287,1288,1289,
 igr2=1408,1409,
 &end
#
#    0 AMB  25-2:1066     0 AMB  25-1:1066   5.50    (#   1066:25  Double Ambig)
 &rst
  ixpk= 1066, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1496,1497,1387,1388,1563,1564,
 igr2=1408,1409,1408,1409,1408,1409,
 &end
#
#   94 LYS  HB+          94 LYS  HD+         4.50    (#   1067:25  Unique         2.41, 3.26 A)
 &rst
  ixpk= 1067, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1402,1403,
 igr2=1408,1409,
 &end
#
#   90 THR  MG2          94 LYS  HD+         4.50    (#   1068:25  Unique         2.40, 3.54 A)
 &rst
  ixpk= 1068, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1343,1344,1345,
 igr2=1408,1409,
 &end
#
#    0 AMB  25-2:1070     0 AMB  25-1:1070   4.50    (#   1070:25  Double Ambig)
 &rst
  ixpk= 1070, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
      1573,1574,
 igr2=1408,1409,1408,1409,
 &end
#
#    0 AMB  25-2:1071     0 AMB  25-1:1071   4.50    (#   1071:25  Double Ambig)
 &rst
  ixpk= 1071, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.81, r4=11.31,
 igr1=1516,1517,1518,1520,1521,1522,1516,1517,1518,1520,
      1521,1522,1357,1358,1359,1361,1362,1363,1357,1358,
      1359,1361,1362,1363,
 igr2=1408,1409,1408,1409,1408,1409,1408,1409,
 &end
#
#   94 LYS  HA           94 LYS  HD+         5.50    (#   1072:25  Unique         4.60, 4.71 A)
 &rst
  ixpk= 1072, nxpk= 25, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1408,1409,
 &end
#
#    0 AMB  25-2:1073     0 AMB  25-1:1073   3.50    (#   1073:25  Double Ambig)
 &rst
  ixpk= 1073, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1411,1412,1411,1412,
 igr2=1408,1409,1408,1409,
 &end
#
#   83 LYS  QE           83 LYS  QD          2.50    (#   1075:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 1075, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1255,1256,
 igr2=1252,1253,
 &end
#
#   83 LYS  QB           83 LYS  QD          2.50    (#   1076:25  Unique         2.39, 3.02 A)
 &rst
  ixpk= 1076, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1246,1247,
 igr2=1252,1253,
 &end
#
#   85 ILE  MD1          83 LYS  QD          5.50    (#   1077:25  Unique         2.99, 5.02 A)
 &rst
  ixpk= 1077, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1294,1295,1296,
 igr2=1252,1253,
 &end
#
#    0 AMB  25-2:1078    28 LYS  QG          4.50    (#   1078:25  Single Ambig)
 &rst
  ixpk= 1078, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 421, 422, 817, 818,
 igr2= 418, 419,
 &end
#
#   85 ILE  MG2          94 LYS  HD+         3.50    (#   1079:25  Unique         2.75, 3.52 A)
 &rst
  ixpk= 1079, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1287,1288,1289,
 igr2=1408,1409,
 &end
#
#   20 SER  HB-          20 SER  HA          2.50    (#   1080:25  Unique         2.40, 2.70 A)
 &rst
  ixpk= 1080, nxpk= 25, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 301, 302,
 &end
#
#   34 CYS  HA           34 CYS  HB+         5.50    (#   1083:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 1083, nxpk= 25, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 510, 511,
 &end
#
#   34 CYS  HA           34 CYS  HB-         4.50    (#   1086:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 1086, nxpk= 25, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 510, 511,
 &end
#
#   31 CYS  HB+          34 CYS  HB+         5.50    (#   1091:25  Unique         2.14, 3.89 A)
 &rst
  ixpk= 1091, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 473, 472,
 igr2= 510, 511,
 &end
#
#    0 AMB  25-2:1092    38 LYS  HA          5.50    (#   1092:25  Single Ambig)
 &rst
  ixpk= 1092, nxpk= 25, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 561, 562, 563, 565, 566, 567, 772, 773, 774, 776,
       777, 778,
 &end
#
#   38 LYS  HD-          38 LYS  HA          5.50    (#   1093:25  Unique         4.40, 4.73 A)
 &rst
  ixpk= 1093, nxpk= 25, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 581, 582,
 &end
#
#    0 AMB  25-2:1094    38 LYS  HA          4.50    (#   1094:25  Single Ambig)
 &rst
  ixpk= 1094, nxpk= 25, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 633, 634, 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  25-2:1100     0 AMB  25-1:1100   2.50    (#   1100:25  Double Ambig)
 &rst
  ixpk= 1100, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 669, 670,1444,1445,
 igr2= 666, 667,1441,1442,
 &end
#
#   40 LEU  MDY          43 GLN  QB          5.50    (#   1101:25  Unique         3.55, 6.81 A)
 &rst
  ixpk= 1101, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2= 666, 667,
 &end
#
#    0 AMB  25-2:1102    43 GLN  QB          4.50    (#   1102:25  Single Ambig)
 &rst
  ixpk= 1102, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 685, 686, 687, 689, 690, 691, 685, 686, 687, 689,
       690, 691,
 igr2= 666, 667,
 &end
#
#    0 AMB  25-2:1103     0 AMB  25-1:1103   2.50    (#   1103:25  Double Ambig)
 &rst
  ixpk= 1103, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 664,1385, 612,
 igr2= 666, 667,1441,1442,
 &end
#
#   97 ARG  HG+          96 GLN  HB+         5.50    (#   1104:25  Unique         3.20, 4.80 A)
 &rst
  ixpk= 1104, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1461,1462,
 igr2=1441,1442,
 &end
#
#   40 LEU  MDX          43 GLN  QB          5.50    (#   1105:25  Unique         3.55, 6.81 A)
 &rst
  ixpk= 1105, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2= 666, 667,
 &end
#
#    0 AMB  25-2:1106     0 AMB  25-1:1106   3.50    (#   1106:25  Double Ambig)
 &rst
  ixpk= 1106, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 974, 912, 913,
 igr2= 959, 960, 959, 960,
 &end
#
#   66 LEU  HB-          63 GLN  HB+         5.50    (#   1107:25  Unique         4.57, 5.81 A)
 &rst
  ixpk= 1107, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 997, 998,
 igr2= 959, 960,
 &end
#
#    0 AMB  25-2:1108     0 AMB  25-1:1108   4.50    (#   1108:25  Double Ambig)
 &rst
  ixpk= 1108, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1135,1136,1137,1139,1140,1141, 945, 946, 947, 949,
       950, 951,
 igr2= 959, 960, 959, 960,
 &end
#
#    0 AMB  25-2:1109     0 AMB  25-1:1109   4.50    (#   1109:25  Double Ambig)
 &rst
  ixpk= 1109, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 822, 823, 824, 826, 827, 828,1766,1767,1768,1770,
      1771,1772,
 igr2= 959, 960,1601,1602,
 &end
#
#    0 AMB  25-2:1110   102 PRO  HG-         4.50    (#   1110:25  Single Ambig)
 &rst
  ixpk= 1110, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1494,1555,
 igr2=1549,1550,
 &end
#
#  102 PRO  HD-         102 PRO  HG-         3.50    (#   1111:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1111, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1546,1547,
 igr2=1549,1550,
 &end
#
#  102 PRO  HD+         102 PRO  HG-         3.50    (#   1112:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1112, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1546,1547,
 igr2=1549,1550,
 &end
#
#  102 PRO  HB-         102 PRO  HG-         2.50    (#   1113:25  Unique         2.35, 2.62 A)
 &rst
  ixpk= 1113, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1552,1553,
 igr2=1549,1550,
 &end
#
#    0 AMB  25-2:1114   102 PRO  HG-         4.50    (#   1114:25  Single Ambig)
 &rst
  ixpk= 1114, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1761,1762,1764,
 igr2=1549,1550,
 &end
#
#  101 LEU  MDY         102 PRO  HG-         5.50    (#   1115:25  Unique         3.65, 7.14 A)
 &rst
  ixpk= 1115, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1535,1536,1537,1539,1540,1541,
 igr2=1549,1550,
 &end
#
#   39 GLN  HA           39 GLN  QB          3.50    (#   1116:25  Unique         2.45, 2.78 A)
 &rst
  ixpk= 1116, nxpk= 25, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 597, 598,
 &end
#
#    0 AMB  25-2:1117    39 GLN  QB          5.50    (#   1117:25  Single Ambig)
 &rst
  ixpk= 1117, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 654, 655, 656, 619, 620, 621, 623, 624, 625,
 igr2= 597, 598,
 &end
#
#  105 GLN  HG-         105 GLN  HB-         2.50    (#   1118:25  Unique         2.25, 2.70 A)
 &rst
  ixpk= 1118, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1604,1605,
 igr2=1601,1602,
 &end
#
#    0 AMB  25-2:1119   105 GLN  HB-         3.50    (#   1119:25  Single Ambig)
 &rst
  ixpk= 1119, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1742,1555,
 igr2=1601,1602,
 &end
#
#  105 GLN  HA          105 GLN  HB-         2.50    (#   1120:25  Unique         2.46, 2.80 A)
 &rst
  ixpk= 1120, nxpk= 25, iat=1599,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=1601,1602,
 &end
#
#    0 AMB  25-2:1122     5 GLN  HB-         4.50    (#   1122:25  Single Ambig)
 &rst
  ixpk= 1122, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  49,  50, 131, 132, 133,
 igr2=  68,  69,
 &end
#
#    0 AMB  25-2:1123     0 AMB  25-1:1123   3.50    (#   1123:25  Double Ambig)
 &rst
  ixpk= 1123, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1494,1555,
 igr2=1549,1550,1549,1550,
 &end
#
#  102 PRO  HD-         102 PRO  HG+         4.50    (#   1124:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1124, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1546,1547,
 igr2=1549,1550,
 &end
#
#  102 PRO  HD+         102 PRO  HG+         4.50    (#   1125:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1125, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1546,1547,
 igr2=1549,1550,
 &end
#
#  102 PRO  HB-         102 PRO  HG+         2.50    (#   1126:25  Unique         2.35, 2.62 A)
 &rst
  ixpk= 1126, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1552,1553,
 igr2=1549,1550,
 &end
#
#  117 LEU  MDX         102 PRO  HG+         5.50    (#   1127:25  Unique         2.31, 5.72 A)
 &rst
  ixpk= 1127, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1766,1767,1768,1770,1771,1772,
 igr2=1549,1550,
 &end
#
#   31 CYS  HB+          31 CYS  HA          4.50    (#   1128:25  Unique         2.27, 2.71 A)
 &rst
  ixpk= 1128, nxpk= 25, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 473, 472,
 &end
#
#   31 CYS  HB-          31 CYS  HA          4.50    (#   1129:25  Unique         2.27, 2.71 A)
 &rst
  ixpk= 1129, nxpk= 25, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 473, 472,
 &end
#
#   66 LEU  HB-          63 GLN  HA          4.50    (#   1130:25  Unique         2.09, 3.22 A)
 &rst
  ixpk= 1130, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 997, 998,
 &end
#
#   53 LEU  MDY          63 GLN  HA          4.50    (#   1131:25  Unique         2.44, 4.28 A)
 &rst
  ixpk= 1131, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   66 LEU  MDY          63 GLN  HA          4.50    (#   1132:25  Unique         3.16, 5.33 A)
 &rst
  ixpk= 1132, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   38 LYS  HB+          38 LYS  HA          3.50    (#   1133:25  Unique         2.44, 2.79 A)
 &rst
  ixpk= 1133, nxpk= 25, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 575, 576,
 &end
#
#   38 LYS  HB-          38 LYS  HA          4.50    (#   1134:25  Unique         2.44, 2.79 A)
 &rst
  ixpk= 1134, nxpk= 25, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 575, 576,
 &end
#
#   38 LYS  HG-          38 LYS  HA          3.50    (#   1135:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 1135, nxpk= 25, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 578, 579,
 &end
#
#   38 LYS  HG+          38 LYS  HA          4.50    (#   1136:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 1136, nxpk= 25, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 578, 579,
 &end
#
#   41 LEU  MDY          38 LYS  HA          4.50    (#   1137:25  Unique         2.92, 5.22 A)
 &rst
  ixpk= 1137, nxpk= 25, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#   96 GLN  HA           96 GLN  HB+         3.50    (#   1141:25  Unique         2.35, 2.75 A)
 &rst
  ixpk= 1141, nxpk= 25, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1441,1442,
 &end
#
#   62 LEU  MDX          61 GLN  HB+         5.50    (#   1142:25  Unique         2.66, 6.67 A)
 &rst
  ixpk= 1142, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2= 923, 924,
 &end
#
#   53 LEU  HB-          63 GLN  HB+         5.50    (#   1143:25  Unique         2.87, 4.60 A)
 &rst
  ixpk= 1143, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 817, 818,
 igr2= 959, 960,
 &end
#
#    0 AMB  25-2:1144    22 PRO  HG-         3.50    (#   1144:25  Single Ambig)
 &rst
  ixpk= 1144, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 319, 320, 319, 320, 716, 717, 716, 717,
 igr2= 322, 323,
 &end
#
#    0 AMB  25-2:1145    22 PRO  HG-         4.50    (#   1145:25  Single Ambig)
 &rst
  ixpk= 1145, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1650,1651,1652,1640,1641,1642,1630,1631,1632,
 igr2= 322, 323,
 &end
#
#   21 ALA  MB           22 PRO  HG-         5.50    (#   1146:25  Unique         3.82, 5.27 A)
 &rst
  ixpk= 1146, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 312, 313, 314,
 igr2= 322, 323,
 &end
#
#    0 AMB  25-2:1147     0 AMB  25-1:1147   2.50    (#   1147:25  Double Ambig)
 &rst
  ixpk= 1147, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1599,1385,
 igr2=1601,1602,1441,1442,
 &end
#
#   96 GLN  HA           96 GLN  HB-         2.50    (#   1148:25  Unique         2.35, 2.75 A)
 &rst
  ixpk= 1148, nxpk= 25, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=1441,1442,
 &end
#
#   96 GLN  HG-          96 GLN  HB-         3.50    (#   1149:25  Unique         2.31, 2.70 A)
 &rst
  ixpk= 1149, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1444,1445,
 igr2=1441,1442,
 &end
#
#    0 AMB  25-2:1151     0 AMB  25-1:1151   3.50    (#   1151:25  Double Ambig)
 &rst
  ixpk= 1151, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 319, 320, 319, 320, 716, 717,
 igr2= 322, 323, 322, 323, 322, 323,
 &end
#
#   61 GLN  HA           61 GLN  HB-         3.50    (#   1152:25  Unique         2.35, 2.72 A)
 &rst
  ixpk= 1152, nxpk= 25, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 923, 924,
 &end
#
#   97 ARG  HA           97 ARG  HG-         4.50    (#   1153:25  Unique         2.30, 2.88 A)
 &rst
  ixpk= 1153, nxpk= 25, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1461,1462,
 &end
#
#    0 AMB  25-2:1154    97 ARG  HG-         2.50    (#   1154:25  Single Ambig)
 &rst
  ixpk= 1154, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1458,1459,1496,1497,
 igr2=1461,1462,
 &end
#
#   96 GLN  HB+          97 ARG  HG-         4.50    (#   1155:25  Unique         3.20, 4.80 A)
 &rst
  ixpk= 1155, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1441,1442,
 igr2=1461,1462,
 &end
#
#  101 LEU  HA          101 LEU  HG          4.50    (#   1156:25  Unique         2.32, 3.25 A)
 &rst
  ixpk= 1156, nxpk= 25, iat=1528,1533, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  102 PRO  HD-         101 LEU  HG          5.50    (#   1157:25  Unique         2.93, 4.48 A)
 &rst
  ixpk= 1157, nxpk= 25, iat=  -1,1533, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1546,1547,
 &end
#
#    0 AMB  25-2:1158   101 LEU  HG          4.50    (#   1158:25  Single Ambig)
 &rst
  ixpk= 1158, nxpk= 25, iat=  -1,1533, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 683,1604,1605,1604,1605,
 &end
#
#  101 LEU  MDX         101 LEU  HG          2.50    (#   1159:25  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1159, nxpk= 25, iat=  -1,1533, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1535,1536,1537,1539,1540,1541,
 &end
#
#  102 PRO  HD+         101 LEU  HG          5.50    (#   1160:25  Unique         2.93, 4.48 A)
 &rst
  ixpk= 1160, nxpk= 25, iat=  -1,1533, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1546,1547,
 &end
#
#   32 GLY  QA           31 CYS  HA          4.50    (#   1162:25  Unique         4.31, 4.39 A)
 &rst
  ixpk= 1162, nxpk= 25, iat=  -1, 470, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 480, 481,
 &end
#
#  102 PRO  HD-         101 LEU  HA          5.50    (#   1163:25  Unique         3.98, 4.14 A)
 &rst
  ixpk= 1163, nxpk= 25, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1546,1547,
 &end
#
#    0 AMB  25-2:1164   101 LEU  HA          2.50    (#   1164:25  Single Ambig)
 &rst
  ixpk= 1164, nxpk= 25, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1=1587,1588,1589,1591,1592,1593,1533,1530,1531,
 &end
#
#  101 LEU  MDX         101 LEU  HA          2.50    (#   1165:25  Unique         2.12, 3.61 A)
 &rst
  ixpk= 1165, nxpk= 25, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:1166   101 LEU  HA          3.50    (#   1166:25  Single Ambig)
 &rst
  ixpk= 1166, nxpk= 25, iat=  -1,1528, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1587,1588,1589,1591,1592,1593,1585,
 &end
#
#    0 AMB  25-2:1167    63 GLN  HA          2.50    (#   1167:25  Single Ambig)
 &rst
  ixpk= 1167, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 959, 960, 820,
 &end
#
#    0 AMB  25-2:1168    63 GLN  HA          4.50    (#   1168:25  Single Ambig)
 &rst
  ixpk= 1168, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1016,1017,1018, 987, 988, 989,
 &end
#
#    0 AMB  25-2:1169    15 LYS  HA          5.50    (#   1169:25  Single Ambig)
 &rst
  ixpk= 1169, nxpk= 25, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 212, 244,
 &end
#
#   18 ALA  MB           15 LYS  HA          3.50    (#   1170:25  Unique         2.31, 3.30 A)
 &rst
  ixpk= 1170, nxpk= 25, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 280, 281, 282,
 &end
#
#   15 LYS  HG+          15 LYS  HA          3.50    (#   1171:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 1171, nxpk= 25, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 227, 228,
 &end
#
#   10 ALA  MB           61 GLN  HB+         4.50    (#   1172:25  Unique         2.31, 3.77 A)
 &rst
  ixpk= 1172, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 141, 142, 143,
 igr2= 923, 924,
 &end
#
#    0 AMB  25-2:1173    61 GLN  HB-         5.50    (#   1173:25  Single Ambig)
 &rst
  ixpk= 1173, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 976, 977, 910,
 igr2= 923, 924,
 &end
#
#   10 ALA  MB           61 GLN  HB-         3.50    (#   1174:25  Unique         2.31, 3.77 A)
 &rst
  ixpk= 1174, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 141, 142, 143,
 igr2= 923, 924,
 &end
#
#    0 AMB  25-2:1175    61 GLN  HB-         3.50    (#   1175:25  Single Ambig)
 &rst
  ixpk= 1175, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 893, 894, 926, 927,
 igr2= 923, 924,
 &end
#
#   97 ARG  QD           97 ARG  HG-         3.50    (#   1176:25  Unique         2.41, 2.65 A)
 &rst
  ixpk= 1176, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1464,1465,
 igr2=1461,1462,
 &end
#
#   97 ARG  HA           97 ARG  HG+         3.50    (#   1179:25  Unique         2.30, 2.88 A)
 &rst
  ixpk= 1179, nxpk= 25, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1461,1462,
 &end
#
#    0 AMB  25-2:1180     0 AMB  25-1:1180   2.50    (#   1180:25  Double Ambig)
 &rst
  ixpk= 1180, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 541, 542,1464,1465,
 igr2= 538, 539,1461,1462,
 &end
#
#    0 AMB  25-2:1181     0 AMB  25-1:1181   2.50    (#   1181:25  Double Ambig)
 &rst
  ixpk= 1181, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=1458,1459,1496,1497,
 igr2=1461,1462,1461,1462,
 &end
#
#    0 AMB  25-2:1184     0 AMB  25-1:1184   4.50    (#   1184:25  Double Ambig)
 &rst
  ixpk= 1184, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 338, 339, 340, 342, 343, 344,1215,1216,1217,
 igr2=1219,1220,1219,1220,
 &end
#
#    0 AMB  25-2:1185     0 AMB  25-1:1185   3.50    (#   1185:25  Double Ambig)
 &rst
  ixpk= 1185, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1222,1223,1224,1179,1180,1181,1183,1184,1185,1587,
      1588,1589,1591,1592,1593,
 igr2=1219,1220,1219,1220,1219,1220,
 &end
#
#    0 AMB  25-2:1186     0 AMB  25-1:1186   5.50    (#   1186:25  Double Ambig)
 &rst
  ixpk= 1186, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
      1184,1185,
 igr2=1219,1220,1219,1220,
 &end
#
#   36 ARG  HD-          36 ARG  HA          4.50    (#   1188:25  Unique         2.16, 4.50 A)
 &rst
  ixpk= 1188, nxpk= 25, iat=  -1, 533, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 541, 542,
 &end
#
#   99 GLU  HB-          94 LYS  HA          3.50    (#   1189:25  Unique         2.55, 3.33 A)
 &rst
  ixpk= 1189, nxpk= 25, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1496,1497,
 &end
#
#    0 AMB  25-2:1190    94 LYS  HA          2.50    (#   1190:25  Single Ambig)
 &rst
  ixpk= 1190, nxpk= 25, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1461,1462,1405,1406,
 &end
#
#   94 LYS  HB-          94 LYS  HA          3.50    (#   1191:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 1191, nxpk= 25, iat=  -1,1400, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1402,1403,
 &end
#
#    0 AMB  25-2:1192    12 LYS  HA          4.50    (#   1192:25  Single Ambig)
 &rst
  ixpk= 1192, nxpk= 25, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 190, 129,
 &end
#
#    0 AMB  25-2:1193    12 LYS  HA          4.50    (#   1193:25  Single Ambig)
 &rst
  ixpk= 1193, nxpk= 25, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 149, 244, 212,
 &end
#
#   12 LYS  QB           12 LYS  HA          2.50    (#   1194:25  Unique         2.44, 2.78 A)
 &rst
  ixpk= 1194, nxpk= 25, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 170, 171,
 &end
#
#    0 AMB  25-2:1195    12 LYS  HA          4.50    (#   1195:25  Single Ambig)
 &rst
  ixpk= 1195, nxpk= 25, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 176, 177, 233, 234,
 &end
#
#   12 LYS  HG-          12 LYS  HA          4.50    (#   1196:25  Unique         2.44, 2.78 A)
 &rst
  ixpk= 1196, nxpk= 25, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 173, 174,
 &end
#
#    0 AMB  25-2:1197    12 LYS  HA          3.50    (#   1197:25  Single Ambig)
 &rst
  ixpk= 1197, nxpk= 25, iat=  -1, 168, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 173, 174, 224, 225, 154,
 &end
#
#   15 LYS  QB           15 LYS  HA          3.50    (#   1198:25  Unique         2.38, 2.78 A)
 &rst
  ixpk= 1198, nxpk= 25, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 224, 225,
 &end
#
#   15 LYS  HG-          15 LYS  HA          4.50    (#   1199:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 1199, nxpk= 25, iat=  -1, 222, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 227, 228,
 &end
#
#   36 ARG  HD+          36 ARG  HG+         3.50    (#   1201:25  Unique         2.33, 2.70 A)
 &rst
  ixpk= 1201, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 541, 542,
 igr2= 538, 539,
 &end
#
#   36 ARG  HB-          36 ARG  HG+         3.50    (#   1202:25  Unique         2.36, 2.76 A)
 &rst
  ixpk= 1202, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 535, 536,
 igr2= 538, 539,
 &end
#
#   72 ARG  HD+          72 ARG  HG+         4.50    (#   1203:25  Unique         2.33, 2.73 A)
 &rst
  ixpk= 1203, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1094,1095,
 igr2=1091,1092,
 &end
#
#    0 AMB  25-2:1204    40 LEU  MDY         3.50    (#   1204:25  Single Ambig)
 &rst
  ixpk= 1204, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,1516,1517,1518,1520,1521,1522,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   68 HIS  HB-          68 HIS  HA          2.50    (#   1206:25  Unique         2.29, 2.66 A)
 &rst
  ixpk= 1206, nxpk= 25, iat=  -1,1024, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1026,1027,
 &end
#
#   67 ALA  MB           68 HIS  HA          4.50    (#   1207:25  Unique         4.20, 4.88 A)
 &rst
  ixpk= 1207, nxpk= 25, iat=  -1,1024, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1016,1017,1018,
 &end
#
#   85 ILE  HG1+         85 ILE  HA          4.50    (#   1208:25  Unique         2.54, 3.50 A)
 &rst
  ixpk= 1208, nxpk= 25, iat=  -1,1283, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1291,1292,
 &end
#
#   61 GLN  HG-          61 GLN  HA          3.50    (#   1209:25  Unique         2.36, 2.93 A)
 &rst
  ixpk= 1209, nxpk= 25, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 926, 927,
 &end
#
#    0 AMB  25-2:1210     0 AMB  25-1:1210   3.50    (#   1210:25  Double Ambig)
 &rst
  ixpk= 1210, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1373,1374,1375,1377,1378,1379, 264,
 igr2=1385, 190,
 &end
#
#    0 AMB  25-2:1211     0 AMB  25-1:1211   2.50    (#   1211:25  Double Ambig)
 &rst
  ixpk= 1211, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 535, 536,1387,1388, 597, 598,1441,1442,
 igr2= 533,1385,
 &end
#
#    0 AMB  25-2:1212     0 AMB  25-1:1212   3.50    (#   1212:25  Double Ambig)
 &rst
  ixpk= 1212, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 669, 670, 600, 601,
 igr2= 664, 533,
 &end
#
#    0 AMB  25-2:1213    43 GLN  HA          2.50    (#   1213:25  Single Ambig)
 &rst
  ixpk= 1213, nxpk= 25, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 666, 667, 669, 670,
 &end
#
#   42 THR  MG2          43 GLN  HA          3.50    (#   1214:25  Unique         3.57, 4.67 A)
 &rst
  ixpk= 1214, nxpk= 25, iat=  -1, 664, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 654, 655, 656,
 &end
#
#    0 AMB  25-2:1215    16 GLU  HA          4.50    (#   1215:25  Single Ambig)
 &rst
  ixpk= 1215, nxpk= 25, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 224, 225, 173, 174,
 &end
#
#   53 LEU  MDX          53 LEU  HG          4.50    (#   1216:25  Unique         2.38, 2.66 A)
 &rst
  ixpk= 1216, nxpk= 25, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1217    53 LEU  HG          3.50    (#   1217:25  Single Ambig)
 &rst
  ixpk= 1217, nxpk= 25, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 822, 823, 824, 826, 827, 828, 868, 869, 870, 872,
       873, 874, 788, 789, 790, 792, 793, 794,
 &end
#
#  114 PRO  HA          114 PRO  QG          4.50    (#   1218:25  Unique         2.78, 3.70 A)
 &rst
  ixpk= 1218, nxpk= 25, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1720,1721,
 &end
#
#  114 PRO  HD-         114 PRO  QG          2.50    (#   1219:25  Unique         2.29, 2.61 A)
 &rst
  ixpk= 1219, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1717,1718,
 igr2=1720,1721,
 &end
#
#  114 PRO  HB-         114 PRO  QG          2.50    (#   1220:25  Unique         2.36, 2.63 A)
 &rst
  ixpk= 1220, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1723,1724,
 igr2=1720,1721,
 &end
#
#   62 LEU  HA           62 LEU  MDX         4.50    (#   1222:25  Unique         2.12, 3.20 A)
 &rst
  ixpk= 1222, nxpk= 25, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   62 LEU  HB-          62 LEU  MDX         4.50    (#   1223:25  Unique         2.37, 3.55 A)
 &rst
  ixpk= 1223, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 940, 941,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:1224     0 AMB  25-1:1224   4.50    (#   1224:25  Double Ambig)
 &rst
  ixpk= 1224, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 533,1067,
 igr2= 538, 539,1268,1269,
 &end
#
#   36 ARG  HB+          36 ARG  HG+         3.50    (#   1225:25  Unique         2.36, 2.76 A)
 &rst
  ixpk= 1225, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 535, 536,
 igr2= 538, 539,
 &end
#
#   36 ARG  HA           36 ARG  HG-         3.50    (#   1227:25  Unique         2.44, 2.77 A)
 &rst
  ixpk= 1227, nxpk= 25, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 538, 539,
 &end
#
#   36 ARG  HB+          36 ARG  HG-         4.50    (#   1228:25  Unique         2.36, 2.76 A)
 &rst
  ixpk= 1228, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 535, 536,
 igr2= 538, 539,
 &end
#
#    0 AMB  25-2:1229   100 LEU  HG          5.50    (#   1229:25  Single Ambig)
 &rst
  ixpk= 1229, nxpk= 25, iat=  -1,1514, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1411,1412,1411,1412,
 &end
#
#  100 LEU  HA          100 LEU  HG          5.50    (#   1230:25  Unique         2.72, 3.05 A)
 &rst
  ixpk= 1230, nxpk= 25, iat=1509,1514, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100 LEU  HB+         100 LEU  HG          5.50    (#   1231:25  Unique         2.34, 2.78 A)
 &rst
  ixpk= 1231, nxpk= 25, iat=  -1,1514, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1511,1512,
 &end
#
#    0 AMB  25-2:1232   100 LEU  HG          2.50    (#   1232:25  Single Ambig)
 &rst
  ixpk= 1232, nxpk= 25, iat=  -1,1514, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   15 LYS  QD           11 LEU  HG          5.50    (#   1233:25  Unique         3.10, 4.86 A)
 &rst
  ixpk= 1233, nxpk= 25, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 230, 231,
 &end
#
#   72 ARG  HD+          72 ARG  HG-         5.50    (#   1234:25  Unique         2.33, 2.73 A)
 &rst
  ixpk= 1234, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1094,1095,
 igr2=1091,1092,
 &end
#
#   72 ARG  HD-          72 ARG  HG-         4.50    (#   1235:25  Unique         2.33, 2.73 A)
 &rst
  ixpk= 1235, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1094,1095,
 igr2=1091,1092,
 &end
#
#   40 LEU  HA           40 LEU  MDY         4.50    (#   1236:25  Unique         2.27, 3.93 A)
 &rst
  ixpk= 1236, nxpk= 25, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:1237    40 LEU  MDY         2.50    (#   1237:25  Single Ambig)
 &rst
  ixpk= 1237, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 614, 615, 636,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:1238    85 ILE  HA          4.50    (#   1238:25  Single Ambig)
 &rst
  ixpk= 1238, nxpk= 25, iat=  -1,1283, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1266,1411,1412,
 &end
#
#    0 AMB  25-2:1239    85 ILE  HA          3.50    (#   1239:25  Single Ambig)
 &rst
  ixpk= 1239, nxpk= 25, iat=  -1,1283, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1291,1292,1285,
 &end
#
#    0 AMB  25-2:1240    85 ILE  HA          5.50    (#   1240:25  Single Ambig)
 &rst
  ixpk= 1240, nxpk= 25, iat=  -1,1283, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1268,1269,1343,1344,1345,
 &end
#
#    0 AMB  25-2:1241    85 ILE  HA          2.50    (#   1241:25  Single Ambig)
 &rst
  ixpk= 1241, nxpk= 25, iat=  -1,1283, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1294,1295,1296,1287,1288,1289,
 &end
#
#   13 LYS  HG+          13 LYS  HA          3.50    (#   1242:25  Unique         2.36, 3.07 A)
 &rst
  ixpk= 1242, nxpk= 25, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 195, 196,
 &end
#
#    0 AMB  25-2:1243     0 AMB  25-1:1243   2.50    (#   1243:25  Double Ambig)
 &rst
  ixpk= 1243, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  52,  53, 100, 101, 538, 539,
 igr2=  44, 533,
 &end
#
#   42 THR  HB           39 GLN  HA          3.50    (#   1244:25  Unique         2.25, 2.36 A)
 &rst
  ixpk= 1244, nxpk= 25, iat= 652, 595, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 GLN  HG+          39 GLN  HA          3.50    (#   1245:25  Unique         2.36, 3.01 A)
 &rst
  ixpk= 1245, nxpk= 25, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 600, 601,
 &end
#
#   39 GLN  HG-          39 GLN  HA          3.50    (#   1246:25  Unique         2.36, 3.01 A)
 &rst
  ixpk= 1246, nxpk= 25, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 600, 601,
 &end
#
#   39 GLN  QB           39 GLN  HA          2.50    (#   1247:25  Unique         2.45, 2.78 A)
 &rst
  ixpk= 1247, nxpk= 25, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 597, 598,
 &end
#
#   42 THR  MG2          39 GLN  HA          4.50    (#   1248:25  Unique         3.96, 4.58 A)
 &rst
  ixpk= 1248, nxpk= 25, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 654, 655, 656,
 &end
#
#    0 AMB  25-2:1249     0 AMB  25-1:1249   2.50    (#   1249:25  Double Ambig)
 &rst
  ixpk= 1249, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1441,1442, 249, 250, 246, 247,
 igr2=1439, 244,
 &end
#
#   88 CYS  HA           88 CYS  HB+         4.50    (#   1251:25  Unique         2.35, 2.57 A)
 &rst
  ixpk= 1251, nxpk= 25, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1318,1319,
 &end
#
#   76 PRO  QG           88 CYS  HB+         5.50    (#   1252:25  Unique         2.24, 3.46 A)
 &rst
  ixpk= 1252, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1149,1150,
 igr2=1318,1319,
 &end
#
#   37 VAL  MGY          88 CYS  HB+         5.50    (#   1253:25  Unique         2.37, 5.03 A)
 &rst
  ixpk= 1253, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 561, 562, 563, 565, 566, 567,
 igr2=1318,1319,
 &end
#
#   88 CYS  HA           88 CYS  HB-         4.50    (#   1255:25  Unique         2.35, 2.57 A)
 &rst
  ixpk= 1255, nxpk= 25, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1318,1319,
 &end
#
#   37 VAL  MGY          88 CYS  HB-         4.50    (#   1257:25  Unique         2.37, 5.03 A)
 &rst
  ixpk= 1257, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 561, 562, 563, 565, 566, 567,
 igr2=1318,1319,
 &end
#
#   33 TYR  HB-          88 CYS  HB-         5.50    (#   1258:25  Unique         2.30, 3.59 A)
 &rst
  ixpk= 1258, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 489, 490,
 igr2=1318,1319,
 &end
#
#    0 AMB  25-2:1259    88 CYS  HB-         5.50    (#   1259:25  Single Ambig)
 &rst
  ixpk= 1259, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1149,1150,1152,1153,
 igr2=1318,1319,
 &end
#
#    0 AMB  25-2:1260     0 AMB  25-1:1260   5.50    (#   1260:25  Double Ambig)
 &rst
  ixpk= 1260, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 439, 440, 441,1674,1675,1676,1734,1735,1736,
 igr2= 802, 803,1720,1721,
 &end
#
#    0 AMB  25-2:1261    17 LEU  MDY         5.50    (#   1261:25  Single Ambig)
 &rst
  ixpk= 1261, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 259, 212,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#    0 AMB  25-2:1263    62 LEU  MDX         4.50    (#   1263:25  Single Ambig)
 &rst
  ixpk= 1263, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 214, 215, 216, 141, 142, 143,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   85 ILE  HA           85 ILE  HG1-        5.50    (#   1264:25  Unique         2.54, 3.50 A)
 &rst
  ixpk= 1264, nxpk= 25, iat=1283,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1291,1292,
 &end
#
#    0 AMB  25-2:1266    85 ILE  HG1-        2.50    (#   1266:25  Single Ambig)
 &rst
  ixpk= 1266, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1222,1223,1224,1287,1288,1289,1294,1295,1296,
 igr2=1291,1292,
 &end
#
#   84 GLN  HA           84 GLN  HB+         4.50    (#   1267:25  Unique         2.35, 2.81 A)
 &rst
  ixpk= 1267, nxpk= 25, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1268,1269,
 &end
#
#    7 LEU  HA            7 LEU  HG          4.50    (#   1269:25  Unique         2.90, 3.22 A)
 &rst
  ixpk= 1269, nxpk= 25, iat=  98, 103, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1270     7 LEU  HG          2.50    (#   1270:25  Single Ambig)
 &rst
  ixpk= 1270, nxpk= 25, iat=  -1, 103, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 105, 106, 107, 109, 110, 111, 105, 106, 107, 109,
       110, 111,
 &end
#
#    0 AMB  25-2:1271     0 AMB  25-1:1271   5.50    (#   1271:25  Double Ambig)
 &rst
  ixpk= 1271, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1119, 117,
 igr2=1091,1092, 154,
 &end
#
#    0 AMB  25-2:1272    11 LEU  HG          3.50    (#   1272:25  Single Ambig)
 &rst
  ixpk= 1272, nxpk= 25, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 151, 152, 233, 234,
 &end
#
#   11 LEU  MDX          11 LEU  HG          3.50    (#   1273:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 1273, nxpk= 25, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   11 LEU  MDY          11 LEU  HG          3.50    (#   1274:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 1274, nxpk= 25, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   11 LEU  HA           11 LEU  HG          5.50    (#   1275:25  Unique         2.50, 2.78 A)
 &rst
  ixpk= 1275, nxpk= 25, iat= 149, 154, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 LYS  HE-          11 LEU  HG          5.50    (#   1276:25  Unique         2.56, 3.92 A)
 &rst
  ixpk= 1276, nxpk= 25, iat=  -1, 154, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 233, 234,
 &end
#
#   84 GLN  HA           84 GLN  HB-         4.50    (#   1277:25  Unique         2.35, 2.81 A)
 &rst
  ixpk= 1277, nxpk= 25, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1268,1269,
 &end
#
#   70 THR  MG2          84 GLN  HB-         5.50    (#   1279:25  Unique         2.75, 4.58 A)
 &rst
  ixpk= 1279, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1069,1070,1071,
 igr2=1268,1269,
 &end
#
#    0 AMB  25-2:1281     0 AMB  25-1:1281   2.50    (#   1281:25  Double Ambig)
 &rst
  ixpk= 1281, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1222,1223,1224,1287,1288,1289,1294,1295,1296,
 igr2=1291,1292,1291,1292,1291,1292,
 &end
#
#    8 ASP  HB+           5 GLN  HA          3.50    (#   1284:25  Unique         2.27, 3.11 A)
 &rst
  ixpk= 1284, nxpk= 25, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 119, 120,
 &end
#
#    5 GLN  QG            5 GLN  HA          3.50    (#   1285:25  Unique         2.33, 3.13 A)
 &rst
  ixpk= 1285, nxpk= 25, iat=  -1,  66, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  71,  72,
 &end
#
#    0 AMB  25-2:1286     0 AMB  25-1:1286   2.50    (#   1286:25  Double Ambig)
 &rst
  ixpk= 1286, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=  68,  69, 997, 998,
 igr2=  66, 995,
 &end
#
#    0 AMB  25-2:1287    66 LEU  HA          3.50    (#   1287:25  Single Ambig)
 &rst
  ixpk= 1287, nxpk= 25, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1043,1044,1043,1044,
 &end
#
#   66 LEU  MDY          66 LEU  HA          4.50    (#   1288:25  Unique         2.15, 3.21 A)
 &rst
  ixpk= 1288, nxpk= 25, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1289     0 AMB  25-1:1289   2.50    (#   1289:25  Double Ambig)
 &rst
  ixpk= 1289, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 246, 247,  85,  86,1601,1602,
 igr2= 190,  83,1599,
 &end
#
#    0 AMB  25-2:1290     0 AMB  25-1:1290   2.50    (#   1290:25  Double Ambig)
 &rst
  ixpk= 1290, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1= 131, 132, 133,  49,  50,
 igr2=  83,  44,
 &end
#
#    0 AMB  25-2:1291     4 LYS  HA          2.50    (#   1291:25  Single Ambig)
 &rst
  ixpk= 1291, nxpk= 25, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=  46,  47,  46,  47,
 &end
#
#    7 LEU  MDX           4 LYS  HA          3.50    (#   1292:25  Unique         3.44, 5.22 A)
 &rst
  ixpk= 1292, nxpk= 25, iat=  -1,  44, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 105, 106, 107, 109, 110, 111,
 &end
#
#    0 AMB  25-2:1293     0 AMB  25-1:1293   5.50    (#   1293:25  Double Ambig)
 &rst
  ixpk= 1293, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1461,1462, 170, 171, 192, 193,
 igr2=1439, 244,
 &end
#
#   96 GLN  HG+          96 GLN  HA          3.50    (#   1294:25  Unique         2.42, 3.10 A)
 &rst
  ixpk= 1294, nxpk= 25, iat=  -1,1439, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1444,1445,
 &end
#
#   96 GLN  HB+          96 GLN  HA          2.50    (#   1295:25  Unique         2.35, 2.75 A)
 &rst
  ixpk= 1295, nxpk= 25, iat=  -1,1439, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1441,1442,
 &end
#
#   62 LEU  MDX          17 LEU  MDY         3.50    (#   1297:25  Unique         2.39, 5.96 A)
 &rst
  ixpk= 1297, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#   11 LEU  MDX           7 LEU  HG          5.50    (#   1301:25  Unique         4.82, 6.78 A)
 &rst
  ixpk= 1301, nxpk= 25, iat=  -1, 103, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   66 LEU  HA           66 LEU  HG          5.50    (#   1302:25  Unique         3.67, 3.71 A)
 &rst
  ixpk= 1302, nxpk= 25, iat= 995,1000, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1303     0 AMB  25-1:1303   4.50    (#   1303:25  Double Ambig)
 &rst
  ixpk= 1303, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 997, 998,1402,1403,
 igr2=1000,1514,
 &end
#
#   66 LEU  MDY          66 LEU  HG          3.50    (#   1304:25  Unique         2.34, 2.64 A)
 &rst
  ixpk= 1304, nxpk= 25, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   66 LEU  MDX          66 LEU  HG          3.50    (#   1305:25  Unique         2.34, 2.64 A)
 &rst
  ixpk= 1305, nxpk= 25, iat=  -1,1000, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#  100 LEU  HA          104 LEU  HG          5.50    (#   1307:25  Unique         4.04, 4.16 A)
 &rst
  ixpk= 1307, nxpk= 25, iat=1509,1585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  101 LEU  HA          104 LEU  HG          4.50    (#   1308:25  Unique         3.39, 3.83 A)
 &rst
  ixpk= 1308, nxpk= 25, iat=1528,1585, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104 LEU  HA          104 LEU  HG          5.50    (#   1309:25  Unique         2.83, 2.89 A)
 &rst
  ixpk= 1309, nxpk= 25, iat=1580,1585, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1310   104 LEU  HG          5.50    (#   1310:25  Single Ambig)
 &rst
  ixpk= 1310, nxpk= 25, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 683,1604,1605,1604,1605,
 &end
#
#    0 AMB  25-2:1311   104 LEU  HG          3.50    (#   1311:25  Single Ambig)
 &rst
  ixpk= 1311, nxpk= 25, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1582,1583,1563,1564,
 &end
#
#  104 LEU  MDY         104 LEU  HG          3.50    (#   1312:25  Unique         2.43, 2.66 A)
 &rst
  ixpk= 1312, nxpk= 25, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1587,1588,1589,1591,1592,1593,
 &end
#
#    0 AMB  25-2:1313   104 LEU  HG          3.50    (#   1313:25  Single Ambig)
 &rst
  ixpk= 1313, nxpk= 25, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1514,1582,1583,
 &end
#
#   46 ALA  MB          104 LEU  HG          4.50    (#   1314:25  Unique         4.59, 5.41 A)
 &rst
  ixpk= 1314, nxpk= 25, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 706, 707, 708,
 &end
#
#    0 AMB  25-2:1315   104 LEU  HG          4.50    (#   1315:25  Single Ambig)
 &rst
  ixpk= 1315, nxpk= 25, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1535,1536,1537,1539,1540,1541, 338, 339, 340, 342,
       343, 344,
 &end
#
#   41 LEU  MDX         104 LEU  HG          4.50    (#   1316:25  Unique         4.62, 6.44 A)
 &rst
  ixpk= 1316, nxpk= 25, iat=  -1,1585, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#   66 LEU  MDX          66 LEU  HA          2.50    (#   1317:25  Unique         2.15, 3.21 A)
 &rst
  ixpk= 1317, nxpk= 25, iat=  -1, 995, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   96 GLN  HG-          96 GLN  HA          4.50    (#   1318:25  Unique         2.42, 3.10 A)
 &rst
  ixpk= 1318, nxpk= 25, iat=  -1,1439, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1444,1445,
 &end
#
#  103 LEU  HA          103 LEU  HG          4.50    (#   1319:25  Unique         3.22, 3.34 A)
 &rst
  ixpk= 1319, nxpk= 25, iat=1561,1566, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103 LEU  HB+         103 LEU  HG          3.50    (#   1320:25  Unique         2.31, 2.70 A)
 &rst
  ixpk= 1320, nxpk= 25, iat=  -1,1566, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1563,1564,
 &end
#
#    0 AMB  25-2:1321   103 LEU  HG          4.50    (#   1321:25  Single Ambig)
 &rst
  ixpk= 1321, nxpk= 25, iat=  -1,1566, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1563,1564,1630,1631,1632,
 &end
#
#    0 AMB  25-2:1322     0 AMB  25-1:1322   2.50    (#   1322:25  Double Ambig)
 &rst
  ixpk= 1322, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 788, 789, 790, 792, 793, 794, 868, 869, 870, 872,
       873, 874,1568,1569,1570,1572,1573,1574,1568,1569,
      1570,1572,1573,1574, 822, 823, 824, 826, 827, 828,
      
 igr2= 266, 267, 268, 270, 271, 272, 866,1566,
 &end
#
#   80 ILE  HB          103 LEU  HG          4.50    (#   1323:25  Unique         3.15, 3.51 A)
 &rst
  ixpk= 1323, nxpk= 25, iat=1213,1566, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 LEU  MDY          41 LEU  HG          3.50    (#   1324:25  Unique         2.43, 2.66 A)
 &rst
  ixpk= 1324, nxpk= 25, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1325    17 LEU  HG          5.50    (#   1325:25  Single Ambig)
 &rst
  ixpk= 1325, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 190, 301, 302,
 &end
#
#    0 AMB  25-2:1326    17 LEU  HG          3.50    (#   1326:25  Single Ambig)
 &rst
  ixpk= 1326, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 259, 212,
 &end
#
#   13 LYS  QE           17 LEU  HG          5.50    (#   1327:25  Unique         2.41, 4.52 A)
 &rst
  ixpk= 1327, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 201, 202,
 &end
#
#   49 LYS  HE-          17 LEU  HG          4.50    (#   1328:25  Unique         4.47, 5.15 A)
 &rst
  ixpk= 1328, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 757, 758,
 &end
#
#   17 LEU  HB+          17 LEU  HG          3.50    (#   1329:25  Unique         2.56, 2.82 A)
 &rst
  ixpk= 1329, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 261, 262,
 &end
#
#   17 LEU  MDY          17 LEU  HG          3.50    (#   1330:25  Unique         2.44, 2.66 A)
 &rst
  ixpk= 1330, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 266, 267, 268, 270, 271, 272,
 &end
#
#   13 LYS  HD-          17 LEU  HG          4.50    (#   1331:25  Unique         2.71, 4.69 A)
 &rst
  ixpk= 1331, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 198, 199,
 &end
#
#   13 LYS  HG-          17 LEU  HG          4.50    (#   1332:25  Unique         2.60, 3.50 A)
 &rst
  ixpk= 1332, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 195, 196,
 &end
#
#    0 AMB  25-2:1333    17 LEU  HG          5.50    (#   1333:25  Single Ambig)
 &rst
  ixpk= 1333, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 214, 215, 216, 224, 225,
 &end
#
#   13 LYS  HG+          17 LEU  HG          4.50    (#   1334:25  Unique         2.60, 3.50 A)
 &rst
  ixpk= 1334, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 195, 196,
 &end
#
#   17 LEU  HB-          17 LEU  HG          3.50    (#   1335:25  Unique         2.56, 2.82 A)
 &rst
  ixpk= 1335, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 261, 262,
 &end
#
#   51 VAL  MGX          17 LEU  HG          4.50    (#   1336:25  Unique         4.63, 5.75 A)
 &rst
  ixpk= 1336, nxpk= 25, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#   53 LEU  HB-          53 LEU  MDY         4.50    (#   1337:25  Unique         2.41, 3.35 A)
 &rst
  ixpk= 1337, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 817, 818,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   66 LEU  MDY          62 LEU  HG          5.50    (#   1338:25  Unique         4.70, 6.99 A)
 &rst
  ixpk= 1338, nxpk= 25, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   75 VAL  MGY          75 VAL  HA          2.50    (#   1339:25  Unique         2.29, 3.46 A)
 &rst
  ixpk= 1339, nxpk= 25, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1135,1136,1137,1139,1140,1141,
 &end
#
#  101 LEU  MDX         105 GLN  HA          5.50    (#   1340:25  Unique         4.61, 7.06 A)
 &rst
  ixpk= 1340, nxpk= 25, iat=  -1,1599, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1535,1536,1537,1539,1540,1541,
 &end
#
#  110 THR  MG2         105 GLN  HA          4.50    (#   1341:25  Unique         2.97, 5.18 A)
 &rst
  ixpk= 1341, nxpk= 25, iat=  -1,1599, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1662,1663,1664,
 &end
#
#   43 GLN  QB           40 LEU  HA          3.50    (#   1342:25  Unique         2.62, 3.84 A)
 &rst
  ixpk= 1342, nxpk= 25, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 666, 667,
 &end
#
#    0 AMB  25-2:1343     0 AMB  25-1:1343   2.50    (#   1343:25  Double Ambig)
 &rst
  ixpk= 1343, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 614, 615, 817, 818,
 igr2= 612, 815,
 &end
#
#    0 AMB  25-2:1344     0 AMB  25-1:1344   3.50    (#   1344:25  Double Ambig)
 &rst
  ixpk= 1344, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 619, 620, 621, 623, 624, 625, 940, 941,
 igr2= 612, 938,
 &end
#
#   40 LEU  MDX          40 LEU  HA          3.50    (#   1345:25  Unique         2.27, 3.93 A)
 &rst
  ixpk= 1345, nxpk= 25, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:1346     0 AMB  25-1:1346   4.50    (#   1346:25  Double Ambig)
 &rst
  ixpk= 1346, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 617,1002,1003,1004,1006,1007,1008,
 igr2= 612, 938,
 &end
#
#   38 LYS  HD-          38 LYS  HG-         5.50    (#   1348:25  Unique         2.35, 2.61 A)
 &rst
  ixpk= 1348, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 581, 582,
 igr2= 578, 579,
 &end
#
#    0 AMB  25-2:1350    62 LEU  HG          4.50    (#   1350:25  Single Ambig)
 &rst
  ixpk= 1350, nxpk= 25, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 938, 815,
 &end
#
#    0 AMB  25-2:1351     0 AMB  25-1:1351   5.50    (#   1351:25  Double Ambig)
 &rst
  ixpk= 1351, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
 igr1= 212,1580, 957,
 igr2= 943,1516,1517,1518,1520,1521,1522,
 &end
#
#   59 GLY  HA+          62 LEU  HG          4.50    (#   1352:25  Unique         3.52, 4.92 A)
 &rst
  ixpk= 1352, nxpk= 25, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 903, 904,
 &end
#
#    0 AMB  25-2:1353   100 LEU  MDY         4.50    (#   1353:25  Single Ambig)
 &rst
  ixpk= 1353, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1411,1412,1411,1412,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#    0 AMB  25-2:1354     0 AMB  25-1:1354   3.50    (#   1354:25  Double Ambig)
 &rst
  ixpk= 1354, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 940, 941,1355,1402,1403,
 igr2= 943,1516,1517,1518,1520,1521,1522,
 &end
#
#    0 AMB  25-2:1355    62 LEU  HG          4.50    (#   1355:25  Single Ambig)
 &rst
  ixpk= 1355, nxpk= 25, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 866, 266, 267, 268, 270, 271, 272,
 &end
#
#    0 AMB  25-2:1356     0 AMB  25-1:1356   2.50    (#   1356:25  Double Ambig)
 &rst
  ixpk= 1356, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1587,1588,1589,1591,1592,1593, 945, 946, 947, 949,
       950, 951,
 igr2=1516,1517,1518,1520,1521,1522, 943,
 &end
#
#   53 LEU  MDX          62 LEU  HG          3.50    (#   1357:25  Unique         2.66, 4.83 A)
 &rst
  ixpk= 1357, nxpk= 25, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   58 ASP  HB+          62 LEU  HG          5.50    (#   1358:25  Unique         4.21, 5.90 A)
 &rst
  ixpk= 1358, nxpk= 25, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 893, 894,
 &end
#
#   44 VAL  HB          100 LEU  MDY         5.50    (#   1359:25  Unique         3.86, 7.20 A)
 &rst
  ixpk= 1359, nxpk= 25, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#    0 AMB  25-2:1360     0 AMB  25-1:1360   2.50    (#   1360:25  Double Ambig)
 &rst
  ixpk= 1360, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 940, 941,1511,1512,
 igr2= 943,1516,1517,1518,1520,1521,1522,
 &end
#
#   41 LEU  HA           41 LEU  MDY         4.50    (#   1361:25  Unique         2.15, 3.85 A)
 &rst
  ixpk= 1361, nxpk= 25, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   38 LYS  HA           41 LEU  MDY         5.50    (#   1362:25  Unique         2.92, 5.22 A)
 &rst
  ixpk= 1362, nxpk= 25, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   48 TYR  HB+          41 LEU  MDY         5.50    (#   1363:25  Unique         2.34, 4.52 A)
 &rst
  ixpk= 1363, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 727, 728,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1364    41 LEU  MDY         5.50    (#   1364:25  Single Ambig)
 &rst
  ixpk= 1364, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1355, 559, 368,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1365    41 LEU  MDY         3.50    (#   1365:25  Single Ambig)
 &rst
  ixpk= 1365, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 636, 614, 615,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1366    41 LEU  MDY         3.50    (#   1366:25  Single Ambig)
 &rst
  ixpk= 1366, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 633, 634, 706, 707, 708, 619, 620, 621, 623, 624,
       625,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1367    41 LEU  MDY         4.50    (#   1367:25  Single Ambig)
 &rst
  ixpk= 1367, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
      1184,1185,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1368    41 LEU  MDY         2.50    (#   1368:25  Single Ambig)
 &rst
  ixpk= 1368, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 561, 562, 563, 565, 566, 567, 338, 339, 340, 342,
       343, 344, 633, 634,1516,1517,1518,1520,1521,1522,
       685, 686, 687, 689, 690, 691,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1369    41 LEU  MDY         3.50    (#   1369:25  Single Ambig)
 &rst
  ixpk= 1369, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 370, 371, 372, 374, 375, 376, 619, 620, 621, 623,
       624, 625,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   77 ASN  HB+          75 VAL  HA          5.50    (#   1371:25  Unique         2.85, 3.74 A)
 &rst
  ixpk= 1371, nxpk= 25, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1163,1164,
 &end
#
#    0 AMB  25-2:1372    75 VAL  HA          5.50    (#   1372:25  Single Ambig)
 &rst
  ixpk= 1372, nxpk= 25, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1152,1153, 384, 385,1094,1095, 424, 425,
 &end
#
#   75 VAL  HB           75 VAL  HA          3.50    (#   1373:25  Unique         2.48, 2.53 A)
 &rst
  ixpk= 1373, nxpk= 25, iat=1133,1131, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 GLY  HA+          53 LEU  HA          5.50    (#   1374:25  Unique         2.60, 3.58 A)
 &rst
  ixpk= 1374, nxpk= 25, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 903, 904,
 &end
#
#   53 LEU  MDX          53 LEU  HA          2.50    (#   1375:25  Unique         2.13, 3.84 A)
 &rst
  ixpk= 1375, nxpk= 25, iat=  -1, 815, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1376     0 AMB  25-1:1376   2.50    (#   1376:25  Double Ambig)
 &rst
  ixpk= 1376, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 945, 946, 947, 949, 950, 951, 868, 869, 870, 872,
       873, 874,
 igr2= 938, 815,
 &end
#
#   11 LEU  QB           11 LEU  HA          2.50    (#   1377:25  Unique         2.32, 2.71 A)
 &rst
  ixpk= 1377, nxpk= 25, iat=  -1, 149, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 151, 152,
 &end
#
#   53 LEU  HA           53 LEU  MDY         3.50    (#   1381:25  Unique         2.13, 3.84 A)
 &rst
  ixpk= 1381, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1382    53 LEU  MDY         3.50    (#   1382:25  Single Ambig)
 &rst
  ixpk= 1382, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 384, 385, 424, 425,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1383    53 LEU  MDY         2.50    (#   1383:25  Single Ambig)
 &rst
  ixpk= 1383, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 959, 960, 820,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1384    53 LEU  MDY         2.50    (#   1384:25  Single Ambig)
 &rst
  ixpk= 1384, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 817, 818, 863, 864,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   66 LEU  MDY          53 LEU  MDY         4.50    (#   1386:25  Unique         2.89, 6.42 A)
 &rst
  ixpk= 1386, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1388    56 LEU  MDY         3.50    (#   1388:25  Single Ambig)
 &rst
  ixpk= 1388, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 815, 882, 883, 784,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#    0 AMB  25-2:1389    56 LEU  MDY         3.50    (#   1389:25  Single Ambig)
 &rst
  ixpk= 1389, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 866, 266, 267, 268, 270, 271, 272,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#    0 AMB  25-2:1390    56 LEU  MDY         3.50    (#   1390:25  Single Ambig)
 &rst
  ixpk= 1390, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 863, 864, 945, 946, 947, 949, 950, 951,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#   56 LEU  HB-          56 LEU  MDY         3.50    (#   1391:25  Unique         2.40, 3.34 A)
 &rst
  ixpk= 1391, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 863, 864,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#   53 LEU  MDX          56 LEU  MDY         3.50    (#   1392:25  Unique         2.38, 6.47 A)
 &rst
  ixpk= 1392, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#   51 VAL  MGX          56 LEU  MDY         4.50    (#   1393:25  Unique         2.40, 5.66 A)
 &rst
  ixpk= 1393, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#   59 GLY  HA+          56 LEU  MDY         5.50    (#   1394:25  Unique         2.27, 5.20 A)
 &rst
  ixpk= 1394, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 903, 904,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#  100 LEU  HA          100 LEU  MDY         4.50    (#   1395:25  Unique         2.21, 3.88 A)
 &rst
  ixpk= 1395, nxpk= 25, iat=1509,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#   95 HIS  HB-         100 LEU  MDY         4.50    (#   1396:25  Unique         2.24, 4.97 A)
 &rst
  ixpk= 1396, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1424,1425,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#   95 HIS  HB+         100 LEU  MDY         4.50    (#   1397:25  Unique         2.24, 4.97 A)
 &rst
  ixpk= 1397, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1424,1425,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#  100 LEU  HB+         100 LEU  MDY         3.50    (#   1398:25  Unique         2.40, 3.32 A)
 &rst
  ixpk= 1398, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1511,1512,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#    0 AMB  25-2:1399   100 LEU  MDY         2.50    (#   1399:25  Single Ambig)
 &rst
  ixpk= 1399, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1514,1563,1564,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#   41 LEU  MDX         100 LEU  MDY         3.50    (#   1400:25  Unique         2.47, 6.06 A)
 &rst
  ixpk= 1400, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#   48 TYR  HB-          41 LEU  MDY         5.50    (#   1401:25  Unique         2.34, 4.52 A)
 &rst
  ixpk= 1401, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 727, 728,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   17 LEU  HB+          17 LEU  HA          4.50    (#   1402:25  Unique         2.57, 2.81 A)
 &rst
  ixpk= 1402, nxpk= 25, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#   17 LEU  MDY          17 LEU  HA          4.50    (#   1403:25  Unique         2.18, 3.88 A)
 &rst
  ixpk= 1403, nxpk= 25, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 266, 267, 268, 270, 271, 272,
 &end
#
#   17 LEU  HB-          17 LEU  HA          4.50    (#   1404:25  Unique         2.57, 2.81 A)
 &rst
  ixpk= 1404, nxpk= 25, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#   17 LEU  MDX          17 LEU  HA          2.50    (#   1405:25  Unique         2.18, 3.88 A)
 &rst
  ixpk= 1405, nxpk= 25, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 266, 267, 268, 270, 271, 272,
 &end
#
#   20 SER  HB+          17 LEU  HA          3.50    (#   1406:25  Unique         2.66, 3.58 A)
 &rst
  ixpk= 1406, nxpk= 25, iat=  -1, 259, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 301, 302,
 &end
#
#    0 AMB  25-2:1407     0 AMB  25-1:1407   2.50    (#   1407:25  Double Ambig)
 &rst
  ixpk= 1407, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1= 987, 988, 989,1582,1583,
 igr2= 149,1580,
 &end
#
#   49 LYS  HE+          49 LYS  HG+         5.50    (#   1409:25  Unique         2.42, 3.24 A)
 &rst
  ixpk= 1409, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 757, 758,
 igr2= 751, 752,
 &end
#
#   66 LEU  MDX          53 LEU  MDY         5.50    (#   1410:25  Unique         2.89, 6.42 A)
 &rst
  ixpk= 1410, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1411     0 AMB  25-1:1411   2.50    (#   1411:25  Double Ambig)
 &rst
  ixpk= 1411, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 233, 234, 817, 818,
 igr2= 156, 157, 158, 160, 161, 162, 822, 823, 824, 826,
       827, 828,
 &end
#
#    0 AMB  25-2:1414    56 LEU  MDY         5.50    (#   1414:25  Single Ambig)
 &rst
  ixpk= 1414, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 201, 202, 893, 894,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#  106 ASP  HB+         103 LEU  HA          3.50    (#   1417:25  Unique         2.36, 3.08 A)
 &rst
  ixpk= 1417, nxpk= 25, iat=  -1,1561, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1618,1619,
 &end
#
#    0 AMB  25-2:1418     0 AMB  25-1:1418   5.50    (#   1418:25  Double Ambig)
 &rst
  ixpk= 1418, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 117,1628,1660,1555,
 igr2= 149,1580,
 &end
#
#  104 LEU  HB+         104 LEU  HA          4.50    (#   1419:25  Unique         2.55, 2.81 A)
 &rst
  ixpk= 1419, nxpk= 25, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1582,1583,
 &end
#
#    0 AMB  25-2:1420   104 LEU  HA          2.50    (#   1420:25  Single Ambig)
 &rst
  ixpk= 1420, nxpk= 25, iat=  -1,1580, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr1=1587,1588,1589,1591,1592,1593,1585,
 &end
#
#   41 LEU  MDY          41 LEU  HA          4.50    (#   1422:25  Unique         2.15, 3.85 A)
 &rst
  ixpk= 1422, nxpk= 25, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#   41 LEU  HG           41 LEU  HA          3.50    (#   1423:25  Unique         2.61, 2.89 A)
 &rst
  ixpk= 1423, nxpk= 25, iat= 636, 631, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:1424    41 LEU  HA          3.50    (#   1424:25  Single Ambig)
 &rst
  ixpk= 1424, nxpk= 25, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 619, 620, 621, 623, 624, 625, 706, 707, 708,
 &end
#
#    0 AMB  25-2:1425    41 LEU  HA          3.50    (#   1425:25  Single Ambig)
 &rst
  ixpk= 1425, nxpk= 25, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 685, 686, 687, 689, 690, 691, 685, 686, 687, 689,
       690, 691, 633, 634,
 &end
#
#   41 LEU  MDX          41 LEU  HA          3.50    (#   1426:25  Unique         2.15, 3.85 A)
 &rst
  ixpk= 1426, nxpk= 25, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1429    94 LYS  QG          2.50    (#   1429:25  Single Ambig)
 &rst
  ixpk= 1429, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1408,1409,1402,1403,
 igr2=1405,1406,
 &end
#
#   85 ILE  MG2          94 LYS  QG          5.50    (#   1430:25  Unique         4.88, 5.74 A)
 &rst
  ixpk= 1430, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1287,1288,1289,
 igr2=1405,1406,
 &end
#
#   94 LYS  HA           94 LYS  QG          3.50    (#   1431:25  Unique         2.39, 2.71 A)
 &rst
  ixpk= 1431, nxpk= 25, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1405,1406,
 &end
#
#    0 AMB  25-2:1432    94 LYS  QG          3.50    (#   1432:25  Single Ambig)
 &rst
  ixpk= 1432, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1411,1412,1411,1412,
 igr2=1405,1406,
 &end
#
#    0 AMB  25-2:1433    94 LYS  QG          4.50    (#   1433:25  Single Ambig)
 &rst
  ixpk= 1433, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1496,1497,1387,1388,
 igr2=1405,1406,
 &end
#
#   94 LYS  HB+          94 LYS  QG          3.50    (#   1434:25  Unique         2.43, 2.78 A)
 &rst
  ixpk= 1434, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1402,1403,
 igr2=1405,1406,
 &end
#
#    0 AMB  25-2:1435    94 LYS  QG          4.50    (#   1435:25  Single Ambig)
 &rst
  ixpk= 1435, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
      1362,1363,1357,1358,1359,1361,1362,1363,
 igr2=1405,1406,
 &end
#
#   49 LYS  HE+          49 LYS  HG-         5.50    (#   1436:25  Unique         2.42, 3.24 A)
 &rst
  ixpk= 1436, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 757, 758,
 igr2= 751, 752,
 &end
#
#   51 VAL  MGX          49 LYS  HG-         5.50    (#   1437:25  Unique         2.65, 5.79 A)
 &rst
  ixpk= 1437, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 751, 752,
 &end
#
#   49 LYS  HE-          49 LYS  HG+         5.50    (#   1438:25  Unique         2.42, 3.24 A)
 &rst
  ixpk= 1438, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 757, 758,
 igr2= 751, 752,
 &end
#
#   49 LYS  QD           49 LYS  HG+         3.50    (#   1439:25  Unique         2.38, 2.77 A)
 &rst
  ixpk= 1439, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 754, 755,
 igr2= 751, 752,
 &end
#
#   24 VAL  MGX          49 LYS  HG+         5.50    (#   1440:25  Unique         2.78, 5.39 A)
 &rst
  ixpk= 1440, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 751, 752,
 &end
#
#    0 AMB  25-2:1441     0 AMB  25-1:1441   3.50    (#   1441:25  Double Ambig)
 &rst
  ixpk= 1441, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1549,1550,1563,1564,1744,1745,
 igr2=1766,1767,1768,1770,1771,1772,1568,1569,1570,1572,
      1573,1574,
 &end
#
#    0 AMB  25-2:1442   103 LEU  MDY         3.50    (#   1442:25  Single Ambig)
 &rst
  ixpk= 1442, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1294,1295,1296,1222,1223,1224,1287,1288,1289,
 igr2=1568,1569,1570,1572,1573,1574,
 &end
#
#    0 AMB  25-2:1443     0 AMB  25-1:1443   2.50    (#   1443:25  Double Ambig)
 &rst
  ixpk= 1443, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1759,1561,
 igr2=1766,1767,1768,1770,1771,1772,1568,1569,1570,1572,
      1573,1574,
 &end
#
#    0 AMB  25-2:1444     0 AMB  25-1:1444   2.50    (#   1444:25  Double Ambig)
 &rst
  ixpk= 1444, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 233, 234,1549,1550,1566, 866,
 igr2= 156, 157, 158, 160, 161, 162,1766,1767,1768,1770,
      1771,1772,1568,1569,1570,1572,1573,1574, 822, 823,
       824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1445     0 AMB  25-1:1445   3.50    (#   1445:25  Double Ambig)
 &rst
  ixpk= 1445, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 957, 149,
 igr2= 822, 823, 824, 826, 827, 828, 156, 157, 158, 160,
       161, 162,
 &end
#
#    0 AMB  25-2:1446     0 AMB  25-1:1446   5.50    (#   1446:25  Double Ambig)
 &rst
  ixpk= 1446, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 903, 904, 168,
 igr2= 822, 823, 824, 826, 827, 828, 156, 157, 158, 160,
       161, 162,
 &end
#
#    0 AMB  25-2:1447     0 AMB  25-1:1447   2.50    (#   1447:25  Double Ambig)
 &rst
  ixpk= 1447, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1043,1044, 384, 385,
 igr2= 156, 157, 158, 160, 161, 162, 822, 823, 824, 826,
       827, 828,
 &end
#
#    0 AMB  25-2:1448     0 AMB  25-1:1448   2.50    (#   1448:25  Double Ambig)
 &rst
  ixpk= 1448, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 151, 152, 863, 864,
 igr2= 156, 157, 158, 160, 161, 162, 822, 823, 824, 826,
       827, 828,
 &end
#
#    0 AMB  25-2:1449    11 LEU  MDX         2.50    (#   1449:25  Single Ambig)
 &rst
  ixpk= 1449, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 154, 173, 174, 214, 215, 216,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#    0 AMB  25-2:1452     8 ASP  HA          4.50    (#   1452:25  Single Ambig)
 &rst
  ixpk= 1452, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 129,  44,  83,
 &end
#
#    8 ASP  HB+           8 ASP  HA          3.50    (#   1453:25  Unique         2.41, 2.74 A)
 &rst
  ixpk= 1453, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 119, 120,
 &end
#
#    8 ASP  HB-           8 ASP  HA          3.50    (#   1454:25  Unique         2.41, 2.74 A)
 &rst
  ixpk= 1454, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 119, 120,
 &end
#
#   11 LEU  QB            8 ASP  HA          3.50    (#   1455:25  Unique         2.24, 2.92 A)
 &rst
  ixpk= 1455, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 151, 152,
 &end
#
#    0 AMB  25-2:1456     8 ASP  HA          4.50    (#   1456:25  Single Ambig)
 &rst
  ixpk= 1456, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 173, 174, 987, 988, 989,  49,  50,
 &end
#
#   11 LEU  MDX           8 ASP  HA          4.50    (#   1457:25  Unique         3.25, 4.74 A)
 &rst
  ixpk= 1457, nxpk= 25, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#  103 LEU  HB+         103 LEU  HA          3.50    (#   1458:25  Unique         2.41, 2.75 A)
 &rst
  ixpk= 1458, nxpk= 25, iat=  -1,1561, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1563,1564,
 &end
#
#    0 AMB  25-2:1459     0 AMB  25-1:1459   3.50    (#   1459:25  Double Ambig)
 &rst
  ixpk= 1459, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1566, 923, 924,
 igr2=1561,  98,
 &end
#
#    0 AMB  25-2:1460   103 LEU  HA          3.50    (#   1460:25  Single Ambig)
 &rst
  ixpk= 1460, nxpk= 25, iat=  -1,1561, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
      1573,1574,
 &end
#
#    7 LEU  QB            7 LEU  HA          2.50    (#   1461:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 1461, nxpk= 25, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 100, 101,
 &end
#
#    0 AMB  25-2:1462     7 LEU  HA          3.50    (#   1462:25  Single Ambig)
 &rst
  ixpk= 1462, nxpk= 25, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 141, 142, 143, 987, 988, 989,
 &end
#
#    7 LEU  MDY           7 LEU  HA          2.50    (#   1463:25  Unique         2.20, 3.82 A)
 &rst
  ixpk= 1463, nxpk= 25, iat=  -1,  98, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 105, 106, 107, 109, 110, 111,
 &end
#
#   99 GLU  HB-          94 LYS  QG          4.50    (#   1468:25  Unique         3.01, 4.64 A)
 &rst
  ixpk= 1468, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1496,1497,
 igr2=1405,1406,
 &end
#
#   91 VAL  HA           94 LYS  QG          5.50    (#   1469:25  Unique         3.78, 4.53 A)
 &rst
  ixpk= 1469, nxpk= 25, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1405,1406,
 &end
#
#   13 LYS  QE           13 LYS  HG-         5.50    (#   1471:25  Unique         2.41, 3.04 A)
 &rst
  ixpk= 1471, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 201, 202,
 igr2= 195, 196,
 &end
#
#   17 LEU  MDX          13 LYS  HG-         4.50    (#   1473:25  Unique         2.40, 4.57 A)
 &rst
  ixpk= 1473, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 266, 267, 268, 270, 271, 272,
 igr2= 195, 196,
 &end
#
#   49 LYS  HE-          49 LYS  HG-         4.50    (#   1476:25  Unique         2.42, 3.24 A)
 &rst
  ixpk= 1476, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 757, 758,
 igr2= 751, 752,
 &end
#
#   49 LYS  HE+          49 LYS  HG+         5.50    (#   1480:25  Unique         2.42, 3.24 A)
 &rst
  ixpk= 1480, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 757, 758,
 igr2= 751, 752,
 &end
#
#   51 VAL  MGX          49 LYS  HG+         5.50    (#   1481:25  Unique         2.65, 5.79 A)
 &rst
  ixpk= 1481, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 751, 752,
 &end
#
#  105 GLN  HG-         117 LEU  MDX         5.50    (#   1482:25  Unique         2.36, 6.57 A)
 &rst
  ixpk= 1482, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1604,1605,
 igr2=1766,1767,1768,1770,1771,1772,
 &end
#
#   40 LEU  HA           40 LEU  HG          4.50    (#   1483:25  Unique         2.61, 2.96 A)
 &rst
  ixpk= 1483, nxpk= 25, iat= 612, 617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 LEU  HA           40 LEU  HG          4.50    (#   1484:25  Unique         4.06, 4.17 A)
 &rst
  ixpk= 1484, nxpk= 25, iat= 631, 617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92 VAL  HA           40 LEU  HG          4.50    (#   1485:25  Unique         4.52, 4.54 A)
 &rst
  ixpk= 1485, nxpk= 25, iat=1369, 617, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95 HIS  HB+          40 LEU  HG          4.50    (#   1486:25  Unique         3.27, 3.86 A)
 &rst
  ixpk= 1486, nxpk= 25, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1424,1425,
 &end
#
#   43 GLN  QB           40 LEU  HG          5.50    (#   1488:25  Unique         4.36, 5.55 A)
 &rst
  ixpk= 1488, nxpk= 25, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 666, 667,
 &end
#
#    0 AMB  25-2:1489    40 LEU  HG          4.50    (#   1489:25  Single Ambig)
 &rst
  ixpk= 1489, nxpk= 25, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1355, 597, 598,
 &end
#
#   40 LEU  QB           40 LEU  HG          2.50    (#   1490:25  Unique         2.58, 2.82 A)
 &rst
  ixpk= 1490, nxpk= 25, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 614, 615,
 &end
#
#   40 LEU  MDY          40 LEU  HG          3.50    (#   1491:25  Unique         2.41, 2.65 A)
 &rst
  ixpk= 1491, nxpk= 25, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:1492    40 LEU  HG          4.50    (#   1492:25  Single Ambig)
 &rst
  ixpk= 1492, nxpk= 25, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1373,1374,1375,1377,1378,1379, 561, 562, 563, 565,
       566, 567,
 &end
#
#    0 AMB  25-2:1493    40 LEU  HG          3.50    (#   1493:25  Single Ambig)
 &rst
  ixpk= 1493, nxpk= 25, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1516,1517,1518,1520,1521,1522, 685, 686, 687, 689,
       690, 691,1357,1358,1359,1361,1362,1363,
 &end
#
#   89 ASP  HB+          89 ASP  HA          3.50    (#   1494:25  Unique         2.44, 2.75 A)
 &rst
  ixpk= 1494, nxpk= 25, iat=  -1,1327, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1329,1330,
 &end
#
#   89 ASP  HB-          89 ASP  HA          3.50    (#   1495:25  Unique         2.44, 2.75 A)
 &rst
  ixpk= 1495, nxpk= 25, iat=  -1,1327, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1329,1330,
 &end
#
#    0 AMB  25-2:1496     0 AMB  25-1:1496   2.50    (#   1496:25  Double Ambig)
 &rst
  ixpk= 1496, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1563,1564,1371,
 igr2=1509,1327,
 &end
#
#    0 AMB  25-2:1497   100 LEU  HA          3.50    (#   1497:25  Single Ambig)
 &rst
  ixpk= 1497, nxpk= 25, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1563,1564,1514,
 &end
#
#  100 LEU  HB-         100 LEU  HA          4.50    (#   1498:25  Unique         2.48, 2.79 A)
 &rst
  ixpk= 1498, nxpk= 25, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1511,1512,
 &end
#
#    0 AMB  25-2:1499     0 AMB  25-1:1499   3.50    (#   1499:25  Double Ambig)
 &rst
  ixpk= 1499, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1373,1374,1375,1377,1378,1379,1568,1569,1570,1572,
      1573,1574,
 igr2=1327,1509,
 &end
#
#  100 LEU  MDX         100 LEU  HA          3.50    (#   1500:25  Unique         2.21, 3.88 A)
 &rst
  ixpk= 1500, nxpk= 25, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1516,1517,1518,1520,1521,1522,
 &end
#
#    0 AMB  25-2:1501   100 LEU  HA          5.50    (#   1501:25  Single Ambig)
 &rst
  ixpk= 1501, nxpk= 25, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 8.20, r4= 8.70,
 igr1=1587,1588,1589,1591,1592,1593,1530,1531,1291,1292,
      1533,
 &end
#
#   84 GLN  HG+          84 GLN  HA          4.50    (#   1502:25  Unique         2.29, 3.01 A)
 &rst
  ixpk= 1502, nxpk= 25, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1271,1272,
 &end
#
#   85 ILE  MD1          84 GLN  HA          5.50    (#   1503:25  Unique         3.87, 5.29 A)
 &rst
  ixpk= 1503, nxpk= 25, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1294,1295,1296,
 &end
#
#   84 GLN  HB+          84 GLN  HA          4.50    (#   1504:25  Unique         2.35, 2.81 A)
 &rst
  ixpk= 1504, nxpk= 25, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1268,1269,
 &end
#
#   84 GLN  HB-          84 GLN  HA          4.50    (#   1505:25  Unique         2.35, 2.81 A)
 &rst
  ixpk= 1505, nxpk= 25, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1268,1269,
 &end
#
#   13 LYS  HA           13 LYS  HG-         4.50    (#   1511:25  Unique         2.36, 3.07 A)
 &rst
  ixpk= 1511, nxpk= 25, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 195, 196,
 &end
#
#   12 LYS  HA           12 LYS  HG+         4.50    (#   1513:25  Unique         2.44, 2.78 A)
 &rst
  ixpk= 1513, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 173, 174,
 &end
#
#    0 AMB  25-2:1514     0 AMB  25-1:1514   3.50    (#   1514:25  Double Ambig)
 &rst
  ixpk= 1514, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1693,1694, 179, 180,
 igr2=1687,1688, 173, 174,
 &end
#
#    0 AMB  25-2:1516     0 AMB  25-1:1516   5.50    (#   1516:25  Double Ambig)
 &rst
  ixpk= 1516, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 156, 157, 158, 160, 161, 162, 105, 106, 107, 109,
       110, 111,
 igr2= 173, 174,  49,  50,
 &end
#
#   13 LYS  HA            0 AMB  25-1:1517   4.50    (#   1517:25  Single Ambig)
 &rst
  ixpk= 1517, nxpk= 25, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 195, 196, 173, 174,
 &end
#
#   12 LYS  HA           12 LYS  HG-         4.50    (#   1518:25  Unique         2.44, 2.78 A)
 &rst
  ixpk= 1518, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 173, 174,
 &end
#
#   12 LYS  QE           12 LYS  HG-         3.50    (#   1519:25  Unique         2.37, 3.05 A)
 &rst
  ixpk= 1519, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 179, 180,
 igr2= 173, 174,
 &end
#
#    0 AMB  25-2:1520     0 AMB  25-1:1520   2.50    (#   1520:25  Double Ambig)
 &rst
  ixpk= 1520, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 170, 171, 192, 193, 945, 946, 947, 949, 950, 951,
      
 igr2= 173, 174, 195, 196, 195, 196,
 &end
#
#   12 LYS  QD           12 LYS  HG-         2.50    (#   1521:25  Unique         2.37, 2.74 A)
 &rst
  ixpk= 1521, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 176, 177,
 igr2= 173, 174,
 &end
#
#   15 LYS  HG-          12 LYS  HG-         5.50    (#   1523:25  Unique         3.91, 6.46 A)
 &rst
  ixpk= 1523, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 227, 228,
 igr2= 173, 174,
 &end
#
#    0 AMB  25-2:1525    37 VAL  MGY         3.50    (#   1525:25  Single Ambig)
 &rst
  ixpk= 1525, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 508,1146,1147,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   37 VAL  HA           37 VAL  MGY         2.50    (#   1526:25  Unique         2.32, 3.13 A)
 &rst
  ixpk= 1526, nxpk= 25, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   38 LYS  HA           37 VAL  MGY         5.50    (#   1527:25  Unique         3.42, 5.59 A)
 &rst
  ixpk= 1527, nxpk= 25, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   91 VAL  HA           37 VAL  MGY         5.50    (#   1528:25  Unique         6.17, 7.31 A)
 &rst
  ixpk= 1528, nxpk= 25, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   88 CYS  HB+          37 VAL  MGY         4.50    (#   1529:25  Unique         2.37, 5.03 A)
 &rst
  ixpk= 1529, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1318,1319,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   76 PRO  HB+          37 VAL  MGY         4.50    (#   1530:25  Unique         2.68, 4.58 A)
 &rst
  ixpk= 1530, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1152,1153,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   88 CYS  HB-          37 VAL  MGY         4.50    (#   1531:25  Unique         2.37, 5.03 A)
 &rst
  ixpk= 1531, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1318,1319,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   37 VAL  HB           37 VAL  MGY         2.50    (#   1533:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 1533, nxpk= 25, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  25-2:1534    37 VAL  MGY         2.50    (#   1534:25  Single Ambig)
 &rst
  ixpk= 1534, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1149,1150,1152,1153,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  25-2:1535    37 VAL  MGY         3.50    (#   1535:25  Single Ambig)
 &rst
  ixpk= 1535, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 636, 614, 615,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   40 LEU  MDX          37 VAL  MGY         3.50    (#   1538:25  Unique         3.75, 7.00 A)
 &rst
  ixpk= 1538, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   35 ASN  HA           37 VAL  MGY         5.50    (#   1540:25  Unique         6.61, 7.50 A)
 &rst
  ixpk= 1540, nxpk= 25, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   49 LYS  HE+          49 LYS  HG+         5.50    (#   1541:25  Unique         2.42, 3.24 A)
 &rst
  ixpk= 1541, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 757, 758,
 igr2= 751, 752,
 &end
#
#    0 AMB  25-2:1547    76 PRO  QG          4.50    (#   1547:25  Single Ambig)
 &rst
  ixpk= 1547, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 508,1146,1147,
 igr2=1149,1150,
 &end
#
#    0 AMB  25-2:1548    76 PRO  QG          4.50    (#   1548:25  Single Ambig)
 &rst
  ixpk= 1548, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1146,1147, 510, 511,
 igr2=1149,1150,
 &end
#
#   76 PRO  HB+          76 PRO  QG          4.50    (#   1549:25  Unique         2.32, 2.62 A)
 &rst
  ixpk= 1549, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1152,1153,
 igr2=1149,1150,
 &end
#
#   37 VAL  MGY          76 PRO  QG          3.50    (#   1550:25  Unique         2.32, 4.17 A)
 &rst
  ixpk= 1550, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 561, 562, 563, 565, 566, 567,
 igr2=1149,1150,
 &end
#
#    0 AMB  25-2:1551    76 PRO  QG          5.50    (#   1551:25  Single Ambig)
 &rst
  ixpk= 1551, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1318,1319, 404, 405,
 igr2=1149,1150,
 &end
#
#    0 AMB  25-2:1554     0 AMB  25-1:1554   3.50    (#   1554:25  Double Ambig)
 &rst
  ixpk= 1554, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1255,1256,  55,  56,
 igr2=1249,1250,  49,  50,
 &end
#
#   85 ILE  HA           83 LYS  QG          4.50    (#   1555:25  Unique         4.00, 5.36 A)
 &rst
  ixpk= 1555, nxpk= 25, iat=1283,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1249,1250,
 &end
#
#    0 AMB  25-2:1556     0 AMB  25-1:1556   2.50    (#   1556:25  Double Ambig)
 &rst
  ixpk= 1556, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=1246,1247,  46,  47,
 igr2=1249,1250,  49,  50,
 &end
#
#    0 AMB  25-2:1557     0 AMB  25-1:1557   2.50    (#   1557:25  Double Ambig)
 &rst
  ixpk= 1557, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=1252,1253,  52,  53,
 igr2=1249,1250,  49,  50,
 &end
#
#    7 LEU  MDX           4 LYS  HG+         5.50    (#   1559:25  Unique         3.15, 7.26 A)
 &rst
  ixpk= 1559, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 105, 106, 107, 109, 110, 111,
 igr2=  49,  50,
 &end
#
#   85 ILE  MD1          83 LYS  QG          4.50    (#   1560:25  Unique         2.53, 4.65 A)
 &rst
  ixpk= 1560, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1294,1295,1296,
 igr2=1249,1250,
 &end
#
#    0 AMB  25-2:1561     0 AMB  25-1:1561   4.50    (#   1561:25  Double Ambig)
 &rst
  ixpk= 1561, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  44, 190,
 igr2=  49,  50, 173, 174,
 &end
#
#    0 AMB  25-2:1562     0 AMB  25-1:1562   2.50    (#   1562:25  Double Ambig)
 &rst
  ixpk= 1562, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=1690,1691,  52,  53,
 igr2=1687,1688,  49,  50,
 &end
#
#   33 TYR  HB-          37 VAL  MGY         5.50    (#   1564:25  Unique         3.98, 6.89 A)
 &rst
  ixpk= 1564, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 489, 490,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   38 LYS  HG+          35 ASN  HA          5.50    (#   1565:25  Unique         2.71, 4.35 A)
 &rst
  ixpk= 1565, nxpk= 25, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 578, 579,
 &end
#
#    0 AMB  25-2:1566    35 ASN  HA          5.50    (#   1566:25  Single Ambig)
 &rst
  ixpk= 1566, nxpk= 25, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 508, 480, 481, 595,
 &end
#
#   35 ASN  HB-          35 ASN  HA          2.50    (#   1567:25  Unique         2.25, 2.71 A)
 &rst
  ixpk= 1567, nxpk= 25, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 521, 522,
 &end
#
#   38 LYS  HD+          35 ASN  HA          3.50    (#   1568:25  Unique         2.34, 3.36 A)
 &rst
  ixpk= 1568, nxpk= 25, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 581, 582,
 &end
#
#   38 LYS  HG-          76 PRO  QG          5.50    (#   1569:25  Unique         5.95, 7.44 A)
 &rst
  ixpk= 1569, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 578, 579,
 igr2=1149,1150,
 &end
#
#   37 VAL  MGX          76 PRO  QG          5.50    (#   1570:25  Unique         2.32, 4.17 A)
 &rst
  ixpk= 1570, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 561, 562, 563, 565, 566, 567,
 igr2=1149,1150,
 &end
#
#    0 AMB  25-2:1573   104 LEU  MDX         5.50    (#   1573:25  Single Ambig)
 &rst
  ixpk= 1573, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 727, 728,1604,1605,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#   41 LEU  MDX         104 LEU  MDX         3.50    (#   1574:25  Unique         2.50, 5.54 A)
 &rst
  ixpk= 1574, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#   66 LEU  HA           66 LEU  MDY         4.50    (#   1577:25  Unique         2.15, 3.21 A)
 &rst
  ixpk= 1577, nxpk= 25, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1578    66 LEU  MDY         3.50    (#   1578:25  Single Ambig)
 &rst
  ixpk= 1578, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 957, 212,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   77 ASN  HB-          66 LEU  MDY         5.50    (#   1579:25  Unique         2.76, 5.50 A)
 &rst
  ixpk= 1579, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1163,1164,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1580    66 LEU  MDY         4.50    (#   1580:25  Single Ambig)
 &rst
  ixpk= 1580, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 820, 261, 262, 959, 960,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1581    66 LEU  MDY         3.50    (#   1581:25  Single Ambig)
 &rst
  ixpk= 1581, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 997, 998, 940, 941,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   62 LEU  MDX          66 LEU  MDY         5.50    (#   1583:25  Unique         2.26, 6.32 A)
 &rst
  ixpk= 1583, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1585    66 LEU  MDY         2.50    (#   1585:25  Single Ambig)
 &rst
  ixpk= 1585, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1000, 987, 988, 989,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   66 LEU  HB-          66 LEU  MDY         3.50    (#   1586:25  Unique         2.28, 3.55 A)
 &rst
  ixpk= 1586, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 997, 998,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   53 LEU  MDY          66 LEU  MDY         3.50    (#   1587:25  Unique         2.89, 6.42 A)
 &rst
  ixpk= 1587, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   62 LEU  MDY          66 LEU  MDY         4.50    (#   1588:25  Unique         2.26, 6.32 A)
 &rst
  ixpk= 1588, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1590    66 LEU  MDY         4.50    (#   1590:25  Single Ambig)
 &rst
  ixpk= 1590, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 384, 385,1043,1044,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   77 ASN  HB+          66 LEU  MDY         4.50    (#   1591:25  Unique         2.76, 5.50 A)
 &rst
  ixpk= 1591, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1163,1164,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   53 LEU  MDX          66 LEU  MDY         3.50    (#   1592:25  Unique         2.89, 6.42 A)
 &rst
  ixpk= 1592, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1593    66 LEU  MDY         4.50    (#   1593:25  Single Ambig)
 &rst
  ixpk= 1593, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 945, 946, 947, 949, 950, 951, 822, 823, 824, 826,
       827, 828,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   15 LYS  HA           15 LYS  HG+         4.50    (#   1594:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 1594, nxpk= 25, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 227, 228,
 &end
#
#   15 LYS  HE-          15 LYS  HG+         5.50    (#   1595:25  Unique         2.38, 2.79 A)
 &rst
  ixpk= 1595, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 233, 234,
 igr2= 227, 228,
 &end
#
#  114 PRO  HD-         112 LYS  HA          5.50    (#   1598:25  Unique         3.62, 5.48 A)
 &rst
  ixpk= 1598, nxpk= 25, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1717,1718,
 &end
#
#   53 LEU  HA           53 LEU  MDX         2.50    (#   1600:25  Unique         2.13, 3.84 A)
 &rst
  ixpk= 1600, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   59 GLY  HA+          53 LEU  MDX         4.50    (#   1601:25  Unique         2.29, 5.11 A)
 &rst
  ixpk= 1601, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 903, 904,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   26 PHE  HB+          53 LEU  MDX         5.50    (#   1602:25  Unique         2.23, 4.70 A)
 &rst
  ixpk= 1602, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 384, 385,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1603    53 LEU  MDX         4.50    (#   1603:25  Single Ambig)
 &rst
  ixpk= 1603, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 384, 385, 424, 425, 424, 425,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1604    53 LEU  MDX         2.50    (#   1604:25  Single Ambig)
 &rst
  ixpk= 1604, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 959, 960, 820,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   62 LEU  HB+          53 LEU  MDX         3.50    (#   1605:25  Unique         2.21, 4.35 A)
 &rst
  ixpk= 1605, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 940, 941,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1606    53 LEU  MDX         3.50    (#   1606:25  Single Ambig)
 &rst
  ixpk= 1606, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 817, 818,1000,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   14 ALA  MB           53 LEU  MDX         4.50    (#   1607:25  Unique         5.74, 7.77 A)
 &rst
  ixpk= 1607, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 214, 215, 216,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   51 VAL  MGX          53 LEU  MDX         5.50    (#   1609:25  Unique         2.22, 6.02 A)
 &rst
  ixpk= 1609, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   66 LEU  MDY          53 LEU  MDX         4.50    (#   1610:25  Unique         2.89, 6.42 A)
 &rst
  ixpk= 1610, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1611   101 LEU  MDY         4.50    (#   1611:25  Single Ambig)
 &rst
  ixpk= 1611, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1555,1660, 681,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  101 LEU  HA          101 LEU  MDY         3.50    (#   1612:25  Unique         2.12, 3.61 A)
 &rst
  ixpk= 1612, nxpk= 25, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  102 PRO  HD-         101 LEU  MDY         5.50    (#   1613:25  Unique         2.43, 5.45 A)
 &rst
  ixpk= 1613, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1546,1547,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  102 PRO  HD+         101 LEU  MDY         5.50    (#   1614:25  Unique         2.43, 5.45 A)
 &rst
  ixpk= 1614, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1546,1547,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  112 LYS  QE          101 LEU  MDY         7.00    (#   1615:25  Unique         2.30, 6.53 A)
 &rst
  ixpk= 1615, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.59, r4=11.09,
 igr1=1693,1694,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:1616   101 LEU  MDY         3.50    (#   1616:25  Single Ambig)
 &rst
  ixpk= 1616, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 683,1604,1605,1604,1605,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:1617   101 LEU  MDY         4.50    (#   1617:25  Single Ambig)
 &rst
  ixpk= 1617, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1582,1583,1549,1550,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:1618   101 LEU  MDY         2.50    (#   1618:25  Single Ambig)
 &rst
  ixpk= 1618, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1=1533,1530,1531,1587,1588,1589,1591,1592,1593,1684,
      1685,1684,1685,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:1619   101 LEU  MDY         4.50    (#   1619:25  Single Ambig)
 &rst
  ixpk= 1619, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1582,1583,1687,1688,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#   44 VAL  MGY         101 LEU  MDY         2.50    (#   1620:25  Unique         2.19, 5.45 A)
 &rst
  ixpk= 1620, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 685, 686, 687, 689, 690, 691,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#   66 LEU  MDX          62 LEU  MDY         5.50    (#   1623:25  Unique         2.26, 6.32 A)
 &rst
  ixpk= 1623, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   59 GLY  HA+          62 LEU  MDY         5.50    (#   1624:25  Unique         3.74, 6.53 A)
 &rst
  ixpk= 1624, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 903, 904,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   58 ASP  HB+          62 LEU  MDY         5.50    (#   1626:25  Unique         2.40, 6.60 A)
 &rst
  ixpk= 1626, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 893, 894,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    8 ASP  HB+          11 LEU  MDY         5.50    (#   1628:25  Unique         4.77, 6.93 A)
 &rst
  ixpk= 1628, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 119, 120,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   15 LYS  HG+          11 LEU  MDY         5.50    (#   1629:25  Unique         2.31, 5.19 A)
 &rst
  ixpk= 1629, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 227, 228,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#    8 ASP  HA           11 LEU  MDY         4.50    (#   1630:25  Unique         3.25, 4.74 A)
 &rst
  ixpk= 1630, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   11 LEU  HA           11 LEU  MDY         3.50    (#   1631:25  Unique         2.47, 4.31 A)
 &rst
  ixpk= 1631, nxpk= 25, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   69 TRP  HB-          11 LEU  MDY         3.50    (#   1632:25  Unique         2.19, 5.19 A)
 &rst
  ixpk= 1632, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1043,1044,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   15 LYS  HE-          11 LEU  MDY         3.50    (#   1633:25  Unique         2.12, 4.31 A)
 &rst
  ixpk= 1633, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 233, 234,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#    0 AMB  25-2:1634    11 LEU  MDY         2.50    (#   1634:25  Single Ambig)
 &rst
  ixpk= 1634, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 154, 173, 174, 214, 215, 216,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#   15 LYS  QD           11 LEU  MDY         4.50    (#   1635:25  Unique         2.51, 5.16 A)
 &rst
  ixpk= 1635, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 230, 231,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#    8 ASP  HB+           7 LEU  MDX         5.50    (#   1637:25  Unique         3.69, 7.01 A)
 &rst
  ixpk= 1637, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 119, 120,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    8 ASP  HB-           7 LEU  MDX         5.50    (#   1638:25  Unique         3.69, 7.01 A)
 &rst
  ixpk= 1638, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 119, 120,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    0 AMB  25-2:1639   104 LEU  MDX         5.50    (#   1639:25  Single Ambig)
 &rst
  ixpk= 1639, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 683, 727, 728,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#  104 LEU  HA          104 LEU  MDX         3.50    (#   1640:25  Unique         2.17, 3.88 A)
 &rst
  ixpk= 1640, nxpk= 25, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#  104 LEU  HB+         104 LEU  MDX         3.50    (#   1642:25  Unique         2.42, 3.29 A)
 &rst
  ixpk= 1642, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1582,1583,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#   46 ALA  MB          104 LEU  MDX         3.50    (#   1644:25  Unique         2.22, 3.93 A)
 &rst
  ixpk= 1644, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 706, 707, 708,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#    0 AMB  25-2:1645   104 LEU  MDX         4.50    (#   1645:25  Single Ambig)
 &rst
  ixpk= 1645, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1=1662,1663,1664,1535,1536,1537,1539,1540,1541,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#    0 AMB  25-2:1646   104 LEU  MDX         2.50    (#   1646:25  Single Ambig)
 &rst
  ixpk= 1646, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 338, 339, 340, 342, 343, 344,1535,1536,1537,1539,
      1540,1541,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#   41 LEU  MDY         104 LEU  MDX         5.50    (#   1647:25  Unique         2.50, 5.54 A)
 &rst
  ixpk= 1647, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#   48 TYR  HB+         104 LEU  MDX         5.50    (#   1648:25  Unique         5.09, 7.10 A)
 &rst
  ixpk= 1648, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 727, 728,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#   40 LEU  HA           40 LEU  MDX         3.50    (#   1651:25  Unique         2.27, 3.93 A)
 &rst
  ixpk= 1651, nxpk= 25, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   96 GLN  HA           40 LEU  MDX         5.50    (#   1652:25  Unique         6.24, 7.81 A)
 &rst
  ixpk= 1652, nxpk= 25, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   41 LEU  HA           40 LEU  MDX         5.50    (#   1653:25  Unique         2.71, 6.13 A)
 &rst
  ixpk= 1653, nxpk= 25, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   92 VAL  HA           40 LEU  MDX         3.50    (#   1654:25  Unique         2.26, 3.40 A)
 &rst
  ixpk= 1654, nxpk= 25, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   95 HIS  HB+          40 LEU  MDX         4.50    (#   1655:25  Unique         2.40, 3.86 A)
 &rst
  ixpk= 1655, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1424,1425,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   43 GLN  QB           40 LEU  MDX         4.50    (#   1657:25  Unique         3.55, 6.81 A)
 &rst
  ixpk= 1657, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 666, 667,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:1658    40 LEU  MDX         4.50    (#   1658:25  Single Ambig)
 &rst
  ixpk= 1658, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1371, 535, 536,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:1659    40 LEU  MDX         2.50    (#   1659:25  Single Ambig)
 &rst
  ixpk= 1659, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 614, 615, 636,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   92 VAL  MGY          40 LEU  MDX         2.50    (#   1662:25  Unique         2.30, 5.01 A)
 &rst
  ixpk= 1662, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1373,1374,1375,1377,1378,1379,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:1663    40 LEU  MDX         2.50    (#   1663:25  Single Ambig)
 &rst
  ixpk= 1663, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=1357,1358,1359,1361,1362,1363,1516,1517,1518,1520,
      1521,1522,1516,1517,1518,1520,1521,1522,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   15 LYS  HE-          15 LYS  HG-         5.50    (#   1664:25  Unique         2.38, 2.79 A)
 &rst
  ixpk= 1664, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 233, 234,
 igr2= 227, 228,
 &end
#
#   15 LYS  HE-          15 LYS  HG-         5.50    (#   1666:25  Unique         2.38, 2.79 A)
 &rst
  ixpk= 1666, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 233, 234,
 igr2= 227, 228,
 &end
#
#   67 ALA  HA           66 LEU  MDY         5.50    (#   1669:25  Unique         3.18, 6.77 A)
 &rst
  ixpk= 1669, nxpk= 25, iat=1014,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   15 LYS  QD           15 LYS  HG+         3.50    (#   1671:25  Unique         2.44, 2.76 A)
 &rst
  ixpk= 1671, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 230, 231,
 igr2= 227, 228,
 &end
#
#   15 LYS  HE+          15 LYS  HG+         4.50    (#   1672:25  Unique         2.38, 2.79 A)
 &rst
  ixpk= 1672, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 233, 234,
 igr2= 227, 228,
 &end
#
#    0 AMB  25-2:1673     0 AMB  25-1:1673   3.50    (#   1673:25  Double Ambig)
 &rst
  ixpk= 1673, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 224, 225, 154,
 igr2= 227, 228, 227, 228,
 &end
#
#    0 AMB  25-2:1676    97 ARG  HA          2.50    (#   1676:25  Single Ambig)
 &rst
  ixpk= 1676, nxpk= 25, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1461,1462,1458,1459,
 &end
#
#    0 AMB  25-2:1677   112 LYS  HA          2.50    (#   1677:25  Single Ambig)
 &rst
  ixpk= 1677, nxpk= 25, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1684,1685,1684,1685,
 &end
#
#  112 LYS  QG          112 LYS  HA          3.50    (#   1678:25  Unique         2.41, 3.09 A)
 &rst
  ixpk= 1678, nxpk= 25, iat=  -1,1682, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1687,1688,
 &end
#
#   17 LEU  HB+          14 ALA  HA          4.50    (#   1679:25  Unique         2.40, 3.30 A)
 &rst
  ixpk= 1679, nxpk= 25, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#   17 LEU  MDY          14 ALA  HA          5.50    (#   1680:25  Unique         2.33, 4.71 A)
 &rst
  ixpk= 1680, nxpk= 25, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 266, 267, 268, 270, 271, 272,
 &end
#
#   14 ALA  MB           14 ALA  HA          2.50    (#   1681:25  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1681, nxpk= 25, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 214, 215, 216,
 &end
#
#   17 LEU  HB-          14 ALA  HA          4.50    (#   1682:25  Unique         2.40, 3.30 A)
 &rst
  ixpk= 1682, nxpk= 25, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#    0 AMB  25-2:1683    14 ALA  HA          3.50    (#   1683:25  Single Ambig)
 &rst
  ixpk= 1683, nxpk= 25, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 266, 267, 268, 270, 271, 272, 945, 946, 947, 949,
       950, 951,
 &end
#
#   66 LEU  MDX          53 LEU  MDX         5.50    (#   1692:25  Unique         2.89, 6.42 A)
 &rst
  ixpk= 1692, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:1693   101 LEU  MDX         4.50    (#   1693:25  Single Ambig)
 &rst
  ixpk= 1693, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1555,1660, 681,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  101 LEU  HA          101 LEU  MDX         3.50    (#   1694:25  Unique         2.12, 3.61 A)
 &rst
  ixpk= 1694, nxpk= 25, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  104 LEU  HA          101 LEU  MDX         5.50    (#   1695:25  Unique         5.35, 7.92 A)
 &rst
  ixpk= 1695, nxpk= 25, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  102 PRO  HD+         101 LEU  MDX         5.50    (#   1696:25  Unique         2.43, 5.45 A)
 &rst
  ixpk= 1696, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1546,1547,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:1697   101 LEU  MDX         3.50    (#   1697:25  Single Ambig)
 &rst
  ixpk= 1697, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 683,1604,1605,1604,1605,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:1698   101 LEU  MDX         4.50    (#   1698:25  Single Ambig)
 &rst
  ixpk= 1698, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1582,1583,1549,1550,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:1700   101 LEU  MDX         2.50    (#   1700:25  Single Ambig)
 &rst
  ixpk= 1700, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1=1533,1530,1531,1587,1588,1589,1591,1592,1593,1684,
      1685,1684,1685,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  100 LEU  HB-         101 LEU  MDX         5.50    (#   1702:25  Unique         2.92, 7.26 A)
 &rst
  ixpk= 1702, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1511,1512,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#   44 VAL  MGY         101 LEU  MDX         2.50    (#   1703:25  Unique         2.19, 5.45 A)
 &rst
  ixpk= 1703, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 685, 686, 687, 689, 690, 691,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#   51 VAL  MGX          62 LEU  MDY         5.50    (#   1705:25  Unique         3.67, 7.20 A)
 &rst
  ixpk= 1705, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   66 LEU  MDY          62 LEU  MDY         5.50    (#   1706:25  Unique         2.26, 6.32 A)
 &rst
  ixpk= 1706, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:1707     0 AMB  25-1:1707   3.50    (#   1707:25  Double Ambig)
 &rst
  ixpk= 1707, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1759, 139,
 igr2=1766,1767,1768,1770,1771,1772, 945, 946, 947, 949,
       950, 951,
 &end
#
#   62 LEU  HA           62 LEU  MDY         2.50    (#   1708:25  Unique         2.12, 3.20 A)
 &rst
  ixpk= 1708, nxpk= 25, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:1709    62 LEU  MDY         3.50    (#   1709:25  Single Ambig)
 &rst
  ixpk= 1709, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 212, 957,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:1710    62 LEU  MDY         5.50    (#   1710:25  Single Ambig)
 &rst
  ixpk= 1710, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 893, 894, 201, 202,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   26 PHE  HB-          62 LEU  MDY         4.50    (#   1711:25  Unique         4.19, 7.92 A)
 &rst
  ixpk= 1711, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 384, 385,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   58 ASP  HB+          62 LEU  MDY         5.50    (#   1712:25  Unique         2.40, 6.60 A)
 &rst
  ixpk= 1712, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 893, 894,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:1714    62 LEU  MDY         4.50    (#   1714:25  Single Ambig)
 &rst
  ixpk= 1714, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 923, 924, 820,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:1715    62 LEU  MDY         3.50    (#   1715:25  Single Ambig)
 &rst
  ixpk= 1715, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 940, 941, 997, 998,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:1717    62 LEU  MDY         3.50    (#   1717:25  Single Ambig)
 &rst
  ixpk= 1717, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 214, 215, 216, 141, 142, 143,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:1718    62 LEU  MDY         2.50    (#   1718:25  Single Ambig)
 &rst
  ixpk= 1718, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 940, 941, 195, 196,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   59 GLY  HA+          62 LEU  MDY         5.50    (#   1719:25  Unique         3.74, 6.53 A)
 &rst
  ixpk= 1719, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 903, 904,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   12 LYS  HA           11 LEU  MDY         5.50    (#   1720:25  Unique         2.46, 5.01 A)
 &rst
  ixpk= 1720, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 156, 157, 158, 160, 161, 162,
 &end
#
#    0 AMB  25-2:1721     7 LEU  MDX         2.50    (#   1721:25  Single Ambig)
 &rst
  ixpk= 1721, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=  98, 985,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    7 LEU  QB            7 LEU  MDX         2.50    (#   1722:25  Unique         2.35, 3.36 A)
 &rst
  ixpk= 1722, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 100, 101,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#   97 ARG  QD           97 ARG  HA          4.50    (#   1724:25  Unique         3.94, 4.53 A)
 &rst
  ixpk= 1724, nxpk= 25, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1464,1465,
 &end
#
#    0 AMB  25-2:1725     0 AMB  25-1:1725   2.50    (#   1725:25  Double Ambig)
 &rst
  ixpk= 1725, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1458,1459,1744,1745,
 igr2=1456,1742,
 &end
#
#  100 LEU  HB+         101 LEU  MDX         5.50    (#   1729:25  Unique         2.92, 7.26 A)
 &rst
  ixpk= 1729, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1511,1512,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:1730   101 LEU  MDX         4.50    (#   1730:25  Single Ambig)
 &rst
  ixpk= 1730, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1582,1583,1687,1688,
 igr2=1535,1536,1537,1539,1540,1541,
 &end
#
#  102 PRO  HD+          99 GLU  HA          4.50    (#   1733:25  Unique         2.49, 3.34 A)
 &rst
  ixpk= 1733, nxpk= 25, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1546,1547,
 &end
#
#  102 PRO  HD-          99 GLU  HA          5.50    (#   1734:25  Unique         2.49, 3.34 A)
 &rst
  ixpk= 1734, nxpk= 25, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1546,1547,
 &end
#
#   99 GLU  QG           99 GLU  HA          2.50    (#   1735:25  Unique         2.49, 2.82 A)
 &rst
  ixpk= 1735, nxpk= 25, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1499,1500,
 &end
#
#   94 LYS  HA           99 GLU  HA          5.50    (#   1736:25  Unique         5.50, 5.54 A)
 &rst
  ixpk= 1736, nxpk= 25, iat=1400,1494, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  116 GLN  HB-         116 GLN  HA          3.50    (#   1738:25  Unique         2.37, 2.70 A)
 &rst
  ixpk= 1738, nxpk= 25, iat=  -1,1742, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1744,1745,
 &end
#
#  115 ALA  MB          116 GLN  HA          5.50    (#   1739:25  Unique         4.70, 5.51 A)
 &rst
  ixpk= 1739, nxpk= 25, iat=  -1,1742, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1734,1735,1736,
 &end
#
#  117 LEU  HA          116 GLN  HA          5.50    (#   1740:25  Unique         4.26, 4.49 A)
 &rst
  ixpk= 1740, nxpk= 25, iat=1759,1742, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:1747    78 VAL  MGX         5.50    (#   1747:25  Single Ambig)
 &rst
  ixpk= 1747, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1163,1164, 727, 728,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#  102 PRO  HA          117 LEU  MDY         5.50    (#   1748:25  Unique         2.27, 4.57 A)
 &rst
  ixpk= 1748, nxpk= 25, iat=1555,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1766,1767,1768,1770,1771,1772,
 &end
#
#    0 AMB  25-2:1750   117 LEU  MDY         5.50    (#   1750:25  Single Ambig)
 &rst
  ixpk= 1750, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1618,1619,1706,1707,
 igr2=1766,1767,1768,1770,1771,1772,
 &end
#
#  105 GLN  HG-         117 LEU  MDY         5.50    (#   1751:25  Unique         2.36, 6.57 A)
 &rst
  ixpk= 1751, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1604,1605,
 igr2=1766,1767,1768,1770,1771,1772,
 &end
#
#    8 ASP  HB+           7 LEU  MDY         5.50    (#   1753:25  Unique         3.69, 7.01 A)
 &rst
  ixpk= 1753, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 119, 120,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    7 LEU  HA            7 LEU  MDY         2.50    (#   1754:25  Unique         2.20, 3.82 A)
 &rst
  ixpk= 1754, nxpk= 25, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#   68 HIS  HB-           7 LEU  MDY         5.50    (#   1755:25  Unique         2.50, 4.16 A)
 &rst
  ixpk= 1755, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1026,1027,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    8 ASP  HB-           7 LEU  MDY         5.50    (#   1757:25  Unique         3.69, 7.01 A)
 &rst
  ixpk= 1757, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 119, 120,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    0 AMB  25-2:1758     7 LEU  MDY         5.50    (#   1758:25  Single Ambig)
 &rst
  ixpk= 1758, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 923, 924,  85,  86,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    0 AMB  25-2:1759     7 LEU  MDY         4.50    (#   1759:25  Single Ambig)
 &rst
  ixpk= 1759, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 923, 924,  85,  86,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    7 LEU  HG            7 LEU  MDY         2.50    (#   1760:25  Unique         2.33, 2.66 A)
 &rst
  ixpk= 1760, nxpk= 25, iat= 103,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 105, 106, 107, 109, 110, 111,
 &end
#
#    0 AMB  25-2:1765     0 AMB  25-1:1765   4.50    (#   1765:25  Double Ambig)
 &rst
  ixpk= 1765, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 976, 977, 149,
 igr2= 985, 139,
 &end
#
#    0 AMB  25-2:1766    65 ALA  HA          3.50    (#   1766:25  Single Ambig)
 &rst
  ixpk= 1766, nxpk= 25, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1026,1027,1026,1027,
 &end
#
#   65 ALA  MB           65 ALA  HA          2.50    (#   1767:25  Unique         2.42, 2.64 A)
 &rst
  ixpk= 1767, nxpk= 25, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 987, 988, 989,
 &end
#
#    7 LEU  MDX          65 ALA  HA          4.50    (#   1768:25  Unique         2.29, 3.87 A)
 &rst
  ixpk= 1768, nxpk= 25, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 105, 106, 107, 109, 110, 111,
 &end
#
#   24 VAL  HB           18 ALA  HA          4.50    (#   1772:25  Unique         2.52, 2.60 A)
 &rst
  ixpk= 1772, nxpk= 25, iat= 352, 278, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:1773    18 ALA  HA          2.50    (#   1773:25  Single Ambig)
 &rst
  ixpk= 1773, nxpk= 25, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1= 354, 355, 356, 358, 359, 360, 280, 281, 282,
 &end
#
#   24 VAL  MGX          18 ALA  HA          3.50    (#   1774:25  Unique         2.20, 3.29 A)
 &rst
  ixpk= 1774, nxpk= 25, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   12 LYS  HA            9 ALA  HA          5.50    (#   1776:25  Unique         5.24, 5.39 A)
 &rst
  ixpk= 1776, nxpk= 25, iat= 168, 129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 LYS  QB            9 ALA  HA          3.50    (#   1777:25  Unique         2.65, 3.23 A)
 &rst
  ixpk= 1777, nxpk= 25, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 170, 171,
 &end
#
#   12 LYS  QD            9 ALA  HA          4.50    (#   1778:25  Unique         2.71, 4.25 A)
 &rst
  ixpk= 1778, nxpk= 25, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 176, 177,
 &end
#
#    9 ALA  MB            9 ALA  HA          2.50    (#   1779:25  Unique         2.46, 2.67 A)
 &rst
  ixpk= 1779, nxpk= 25, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 131, 132, 133,
 &end
#
#    0 AMB  25-2:1780    67 ALA  HA          4.50    (#   1780:25  Single Ambig)
 &rst
  ixpk= 1780, nxpk= 25, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1079,1080,1024,
 &end
#
#   67 ALA  MB           67 ALA  HA          2.50    (#   1783:25  Unique         2.43, 2.68 A)
 &rst
  ixpk= 1783, nxpk= 25, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1016,1017,1018,
 &end
#
#   48 TYR  HB-          50 VAL  MGX         5.50    (#   1784:25  Unique         4.51, 7.17 A)
 &rst
  ixpk= 1784, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 727, 728,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   51 VAL  HA           50 VAL  MGX         5.50    (#   1785:25  Unique         3.89, 5.72 A)
 &rst
  ixpk= 1785, nxpk= 25, iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   27 SER  HB-          50 VAL  MGX         4.50    (#   1786:25  Unique         2.48, 5.49 A)
 &rst
  ixpk= 1786, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 404, 405,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#    0 AMB  25-2:1787    50 VAL  MGX         3.50    (#   1787:25  Single Ambig)
 &rst
  ixpk= 1787, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 584, 585, 584, 585,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#    0 AMB  25-2:1788    50 VAL  MGX         3.50    (#   1788:25  Single Ambig)
 &rst
  ixpk= 1788, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 805, 806, 368,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   50 VAL  HB           50 VAL  MGX         2.50    (#   1789:25  Unique         2.35, 2.66 A)
 &rst
  ixpk= 1789, nxpk= 25, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   38 LYS  HD-          50 VAL  MGX         4.50    (#   1790:25  Unique         2.24, 4.54 A)
 &rst
  ixpk= 1790, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 581, 582,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   38 LYS  HD+          50 VAL  MGX         4.50    (#   1791:25  Unique         2.24, 4.54 A)
 &rst
  ixpk= 1791, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 581, 582,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   89 ASP  HA           92 VAL  MGY         3.50    (#   1793:25  Unique         2.11, 4.55 A)
 &rst
  ixpk= 1793, nxpk= 25, iat=1327,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   92 VAL  HA           92 VAL  MGY         2.50    (#   1794:25  Unique         2.47, 3.21 A)
 &rst
  ixpk= 1794, nxpk= 25, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   36 ARG  HD-          92 VAL  MGY         5.50    (#   1795:25  Unique         2.42, 5.28 A)
 &rst
  ixpk= 1795, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 541, 542,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   36 ARG  HD+          92 VAL  MGY         5.50    (#   1796:25  Unique         2.42, 5.28 A)
 &rst
  ixpk= 1796, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 541, 542,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   96 GLN  HG-          92 VAL  MGY         5.50    (#   1797:25  Unique         2.96, 5.78 A)
 &rst
  ixpk= 1797, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1444,1445,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#    0 AMB  25-2:1798    92 VAL  MGY         2.50    (#   1798:25  Single Ambig)
 &rst
  ixpk= 1798, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1371,1387,1388, 535, 536,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   40 LEU  MDY          92 VAL  MGY         4.50    (#   1799:25  Unique         2.30, 5.01 A)
 &rst
  ixpk= 1799, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   40 LEU  MDX          92 VAL  MGY         2.50    (#   1800:25  Unique         2.30, 5.01 A)
 &rst
  ixpk= 1800, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   40 LEU  HG           92 VAL  MGY         4.50    (#   1801:25  Unique         4.61, 6.47 A)
 &rst
  ixpk= 1801, nxpk= 25, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   40 LEU  HA           92 VAL  MGY         5.50    (#   1803:25  Unique         5.33, 7.35 A)
 &rst
  ixpk= 1803, nxpk= 25, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   90 THR  HB           91 VAL  MGY         4.50    (#   1804:25  Unique         3.04, 4.59 A)
 &rst
  ixpk= 1804, nxpk= 25, iat=1341,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  25-2:1805    91 VAL  MGY         5.50    (#   1805:25  Single Ambig)
 &rst
  ixpk= 1805, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1309,1310,1302,1303,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   91 VAL  HA            0 AMB  25-1:1806   2.50    (#   1806:25  Single Ambig)
 &rst
  ixpk= 1806, nxpk= 25, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1357,1358,1359,1361,1362,1363,1516,1517,1518,1520,
      1521,1522,
 &end
#
#   88 CYS  HB-          91 VAL  MGY         5.50    (#   1807:25  Unique         4.65, 6.48 A)
 &rst
  ixpk= 1807, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1318,1319,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   91 VAL  HB            0 AMB  25-1:1808   2.50    (#   1808:25  Single Ambig)
 &rst
  ixpk= 1808, nxpk= 25, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   41 LEU  MDY           0 AMB  25-1:1809   5.50    (#   1809:25  Single Ambig)
 &rst
  ixpk= 1809, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   88 CYS  HA           91 VAL  MGY         4.50    (#   1810:25  Unique         2.27, 4.13 A)
 &rst
  ixpk= 1810, nxpk= 25, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   66 LEU  HA           66 LEU  MDX         2.50    (#   1811:25  Unique         2.15, 3.21 A)
 &rst
  ixpk= 1811, nxpk= 25, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1812    66 LEU  MDX         4.50    (#   1812:25  Single Ambig)
 &rst
  ixpk= 1812, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 957, 212,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   73 GLY  HA-          66 LEU  MDX         5.50    (#   1813:25  Unique         2.62, 6.93 A)
 &rst
  ixpk= 1813, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1110,1111,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1814    66 LEU  MDX         4.50    (#   1814:25  Single Ambig)
 &rst
  ixpk= 1814, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 384, 385,1043,1044,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   77 ASN  HB-          66 LEU  MDX         5.50    (#   1815:25  Unique         2.76, 5.50 A)
 &rst
  ixpk= 1815, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1163,1164,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1816    66 LEU  MDX         3.50    (#   1816:25  Single Ambig)
 &rst
  ixpk= 1816, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 997, 998, 940, 941,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1817    66 LEU  MDX         2.50    (#   1817:25  Single Ambig)
 &rst
  ixpk= 1817, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1000, 987, 988, 989,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   14 ALA  MB           66 LEU  MDX         2.50    (#   1818:25  Unique         2.35, 4.34 A)
 &rst
  ixpk= 1818, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 214, 215, 216,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   53 LEU  MDX          66 LEU  MDX         5.50    (#   1819:25  Unique         2.89, 6.42 A)
 &rst
  ixpk= 1819, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   53 LEU  MDY          66 LEU  MDX         4.50    (#   1820:25  Unique         2.89, 6.42 A)
 &rst
  ixpk= 1820, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1821    66 LEU  MDX         5.50    (#   1821:25  Single Ambig)
 &rst
  ixpk= 1821, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 945, 946, 947, 949, 950, 951, 822, 823, 824, 826,
       827, 828,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   62 LEU  MDY          66 LEU  MDX         4.50    (#   1822:25  Unique         2.26, 6.32 A)
 &rst
  ixpk= 1822, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:1826    66 LEU  MDX         5.50    (#   1826:25  Single Ambig)
 &rst
  ixpk= 1826, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1= 820, 261, 262, 959, 960,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   62 LEU  MDX          66 LEU  MDX         5.50    (#   1828:25  Unique         2.26, 6.32 A)
 &rst
  ixpk= 1828, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   10 ALA  MB           10 ALA  HA          2.50    (#   1830:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 1830, nxpk= 25, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 141, 142, 143,
 &end
#
#   12 LYS  HG-           9 ALA  HA          5.50    (#   1831:25  Unique         3.86, 5.16 A)
 &rst
  ixpk= 1831, nxpk= 25, iat=  -1, 129, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 173, 174,
 &end
#
#   88 CYS  HA           90 THR  MG2         7.00    (#   1837:25  Unique         7.41, 7.83 A)
 &rst
  ixpk= 1837, nxpk= 25, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1343,1344,1345,
 &end
#
#   22 PRO  HA           23 VAL  MGX         4.50    (#   1838:25  Unique         4.54, 6.34 A)
 &rst
  ixpk= 1838, nxpk= 25, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#  104 LEU  HA           23 VAL  MGX         4.50    (#   1839:25  Unique         4.16, 5.77 A)
 &rst
  ixpk= 1839, nxpk= 25, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   48 TYR  HB+          23 VAL  MGX         4.50    (#   1840:25  Unique         2.42, 4.04 A)
 &rst
  ixpk= 1840, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 727, 728,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  25-2:1841    23 VAL  MGX         2.50    (#   1841:25  Single Ambig)
 &rst
  ixpk= 1841, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 336, 322, 323,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  25-2:1842     0 AMB  25-1:1842   2.50    (#   1842:25  Double Ambig)
 &rst
  ixpk= 1842, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1219,1220,1650,1651,1652, 636,
 igr2= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   46 ALA  MB           23 VAL  MGX         3.50    (#   1843:25  Unique         2.45, 5.07 A)
 &rst
  ixpk= 1843, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 706, 707, 708,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   41 LEU  MDX           0 AMB  25-1:1844   3.50    (#   1844:25  Single Ambig)
 &rst
  ixpk= 1844, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   87 GLY  HA-          78 VAL  MGX         4.50    (#   1845:25  Unique         2.30, 5.78 A)
 &rst
  ixpk= 1845, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1309,1310,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  25-2:1846     0 AMB  25-1:1846   5.50    (#   1846:25  Double Ambig)
 &rst
  ixpk= 1846, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.51, r4=12.01,
 igr1=1193,1194,1193,1194,1163,1164,1353,
 igr2=1179,1180,1181,1183,1184,1185, 338, 339, 340, 342,
       343, 344,
 &end
#
#   76 PRO  HB+          78 VAL  MGX         4.50    (#   1847:25  Unique         2.65, 5.39 A)
 &rst
  ixpk= 1847, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1152,1153,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   78 VAL  HB           78 VAL  MGX         2.50    (#   1848:25  Unique         2.42, 2.67 A)
 &rst
  ixpk= 1848, nxpk= 25, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  25-2:1849     0 AMB  25-1:1849   2.50    (#   1849:25  Double Ambig)
 &rst
  ixpk= 1849, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1587,1588,1589,1591,1592,1593,1152,1153,
 igr2= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   41 LEU  MDY           0 AMB  25-1:1851   4.50    (#   1851:25  Single Ambig)
 &rst
  ixpk= 1851, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
      1184,1185,
 &end
#
#    0 AMB  25-2:1854     0 AMB  25-1:1854   2.50    (#   1854:25  Double Ambig)
 &rst
  ixpk= 1854, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 863, 864, 802, 803,
 igr2= 868, 869, 870, 872, 873, 874, 772, 773, 774, 776,
       777, 778,
 &end
#
#    0 AMB  25-2:1855     0 AMB  25-1:1855   3.50    (#   1855:25  Double Ambig)
 &rst
  ixpk= 1855, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 863, 864,1213,
 igr2= 868, 869, 870, 872, 873, 874,1568,1569,1570,1572,
      1573,1574,
 &end
#
#  103 LEU  HA          103 LEU  MDX         2.50    (#   1856:25  Unique         2.19, 3.80 A)
 &rst
  ixpk= 1856, nxpk= 25, iat=1561,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1568,1569,1570,1572,1573,1574,
 &end
#
#    0 AMB  25-2:1857     0 AMB  25-1:1857   5.50    (#   1857:25  Double Ambig)
 &rst
  ixpk= 1857, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1=1552,1553, 727, 728,
 igr2=1568,1569,1570,1572,1573,1574, 772, 773, 774, 776,
       777, 778,
 &end
#
#    0 AMB  25-2:1858     0 AMB  25-1:1858   2.50    (#   1858:25  Double Ambig)
 &rst
  ixpk= 1858, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 866, 770,1566, 266, 267, 268, 270, 271, 272,
 igr2= 868, 869, 870, 872, 873, 874, 772, 773, 774, 776,
       777, 778,1568,1569,1570,1572,1573,1574,
 &end
#
#    0 AMB  25-2:1859     0 AMB  25-1:1859   2.50    (#   1859:25  Double Ambig)
 &rst
  ixpk= 1859, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 581, 582, 578, 579,1563,1564,
 igr2= 772, 773, 774, 776, 777, 778,1568,1569,1570,1572,
      1573,1574,
 &end
#
#    0 AMB  25-2:1860   103 LEU  MDX         2.50    (#   1860:25  Single Ambig)
 &rst
  ixpk= 1860, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1294,1295,1296,1222,1223,1224,
 igr2=1568,1569,1570,1572,1573,1574,
 &end
#
#   13 LYS  QE           17 LEU  MDX         5.50    (#   1861:25  Unique         2.38, 5.15 A)
 &rst
  ixpk= 1861, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 201, 202,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#   49 LYS  HE+          17 LEU  MDX         4.50    (#   1862:25  Unique         2.07, 4.52 A)
 &rst
  ixpk= 1862, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 757, 758,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#   16 GLU  HG-          17 LEU  MDX         5.50    (#   1863:25  Unique         4.73, 7.53 A)
 &rst
  ixpk= 1863, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 249, 250,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#  104 LEU  MDY         100 LEU  MDX         3.50    (#   1864:25  Unique         2.30, 5.17 A)
 &rst
  ixpk= 1864, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1587,1588,1589,1591,1592,1593,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#    0 AMB  25-2:1865     0 AMB  25-1:1865   2.50    (#   1865:25  Double Ambig)
 &rst
  ixpk= 1865, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 418, 419,1514,1563,1564,
 igr2=1135,1136,1137,1139,1140,1141,1516,1517,1518,1520,
      1521,1522,
 &end
#
#  100 LEU  HB-         100 LEU  MDX         2.50    (#   1866:25  Unique         2.40, 3.32 A)
 &rst
  ixpk= 1866, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1511,1512,
 igr2=1516,1517,1518,1520,1521,1522,
 &end
#
#   41 LEU  MDX           0 AMB  25-1:1867   3.50    (#   1867:25  Single Ambig)
 &rst
  ixpk= 1867, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   13 LYS  HB+          10 ALA  HA          3.50    (#   1869:25  Unique         2.46, 3.04 A)
 &rst
  ixpk= 1869, nxpk= 25, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 192, 193,
 &end
#
#   13 LYS  HB-          10 ALA  HA          4.50    (#   1870:25  Unique         2.46, 3.04 A)
 &rst
  ixpk= 1870, nxpk= 25, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 192, 193,
 &end
#
#   13 LYS  HG+          10 ALA  HA          5.50    (#   1871:25  Unique         4.19, 4.97 A)
 &rst
  ixpk= 1871, nxpk= 25, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 195, 196,
 &end
#
#   62 LEU  MDY          10 ALA  HA          3.50    (#   1872:25  Unique         2.59, 4.43 A)
 &rst
  ixpk= 1872, nxpk= 25, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 945, 946, 947, 949, 950, 951,
 &end
#
#   85 ILE  HA           90 THR  MG2         5.50    (#   1874:25  Unique         4.67, 5.51 A)
 &rst
  ixpk= 1874, nxpk= 25, iat=1283,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1343,1344,1345,
 &end
#
#   90 THR  HA           90 THR  MG2         3.50    (#   1875:25  Unique         2.35, 2.98 A)
 &rst
  ixpk= 1875, nxpk= 25, iat=1339,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1343,1344,1345,
 &end
#
#   90 THR  HB           90 THR  MG2         3.50    (#   1876:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 1876, nxpk= 25, iat=1341,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1343,1344,1345,
 &end
#
#   86 GLY  HA-          90 THR  MG2         4.50    (#   1877:25  Unique         2.26, 4.09 A)
 &rst
  ixpk= 1877, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1302,1303,
 igr2=1343,1344,1345,
 &end
#
#   91 VAL  HA           90 THR  MG2         5.50    (#   1878:25  Unique         3.90, 4.98 A)
 &rst
  ixpk= 1878, nxpk= 25, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1343,1344,1345,
 &end
#
#    0 AMB  25-2:1879    90 THR  MG2         3.50    (#   1879:25  Single Ambig)
 &rst
  ixpk= 1879, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1411,1412,1411,1412,
 igr2=1343,1344,1345,
 &end
#
#    0 AMB  25-2:1880    90 THR  MG2         3.50    (#   1880:25  Single Ambig)
 &rst
  ixpk= 1880, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1402,1403,1387,1388,
 igr2=1343,1344,1345,
 &end
#
#    0 AMB  25-2:1881    90 THR  MG2         5.50    (#   1881:25  Single Ambig)
 &rst
  ixpk= 1881, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1285,1291,1292,
 igr2=1343,1344,1345,
 &end
#
#   94 LYS  QG           90 THR  MG2         4.50    (#   1882:25  Unique         3.06, 4.61 A)
 &rst
  ixpk= 1882, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1405,1406,
 igr2=1343,1344,1345,
 &end
#
#    0 AMB  25-2:1884    90 THR  MG2         3.50    (#   1884:25  Single Ambig)
 &rst
  ixpk= 1884, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,
 igr2=1343,1344,1345,
 &end
#
#   85 ILE  MG2          90 THR  MG2         2.50    (#   1885:25  Unique         2.77, 4.26 A)
 &rst
  ixpk= 1885, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1=1287,1288,1289,
 igr2=1343,1344,1345,
 &end
#
#    0 AMB  25-2:1887    23 VAL  MGX         5.50    (#   1887:25  Single Ambig)
 &rst
  ixpk= 1887, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1= 716, 717, 319, 320, 319, 320, 631,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  25-2:1888    23 VAL  MGX         3.50    (#   1888:25  Single Ambig)
 &rst
  ixpk= 1888, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 727, 728, 325, 326,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   22 PRO  HD+          24 VAL  MGY         5.50    (#   1889:25  Unique         5.60, 7.87 A)
 &rst
  ixpk= 1889, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 319, 320,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   51 VAL  MGX           0 AMB  25-1:1890   4.50    (#   1890:25  Single Ambig)
 &rst
  ixpk= 1890, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 868, 869, 870, 872, 873, 874, 354, 355, 356, 358,
       359, 360,
 &end
#
#    0 AMB  25-2:1891     0 AMB  25-1:1891   3.50    (#   1891:25  Double Ambig)
 &rst
  ixpk= 1891, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 815, 882, 883, 784, 301, 302,
 igr2= 868, 869, 870, 872, 873, 874, 772, 773, 774, 776,
       777, 778, 354, 355, 356, 358, 359, 360,
 &end
#
#   27 SER  HB-          50 VAL  MGY         5.50    (#   1892:25  Unique         2.48, 5.49 A)
 &rst
  ixpk= 1892, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 404, 405,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#    0 AMB  25-2:1893     0 AMB  25-1:1893   3.50    (#   1893:25  Double Ambig)
 &rst
  ixpk= 1893, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 584, 585, 584, 585,1618,1619,
 igr2= 772, 773, 774, 776, 777, 778,1568,1569,1570,1572,
      1573,1574,
 &end
#
#    0 AMB  25-2:1894     0 AMB  25-1:1894   2.50    (#   1894:25  Double Ambig)
 &rst
  ixpk= 1894, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 805, 806, 368, 940, 941,
 igr2= 772, 773, 774, 776, 777, 778, 868, 869, 870, 872,
       873, 874,
 &end
#
#    0 AMB  25-2:1895     0 AMB  25-1:1895   4.50    (#   1895:25  Double Ambig)
 &rst
  ixpk= 1895, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 578, 579, 940, 941,
 igr2= 772, 773, 774, 776, 777, 778, 868, 869, 870, 872,
       873, 874,
 &end
#
#    0 AMB  25-2:1897    17 LEU  MDX         2.50    (#   1897:25  Single Ambig)
 &rst
  ixpk= 1897, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 259, 212,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#   51 VAL  MGX          17 LEU  MDX         3.50    (#   1899:25  Unique         2.19, 4.42 A)
 &rst
  ixpk= 1899, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#   17 LEU  HB-          17 LEU  MDX         2.50    (#   1900:25  Unique         2.40, 3.31 A)
 &rst
  ixpk= 1900, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 261, 262,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#    0 AMB  25-2:1901     0 AMB  25-1:1901   2.50    (#   1901:25  Double Ambig)
 &rst
  ixpk= 1901, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1509,1131,
 igr2=1516,1517,1518,1520,1521,1522,1135,1136,1137,1139,
      1140,1141,
 &end
#
#    0 AMB  25-2:1902     0 AMB  25-1:1902   2.50    (#   1902:25  Double Ambig)
 &rst
  ixpk= 1902, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1133,1511,1512,
 igr2=1135,1136,1137,1139,1140,1141,1516,1517,1518,1520,
      1521,1522,
 &end
#
#   18 ALA  HA           24 VAL  MGY         3.50    (#   1906:25  Unique         2.20, 3.29 A)
 &rst
  ixpk= 1906, nxpk= 25, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:1907    24 VAL  MGY         2.50    (#   1907:25  Single Ambig)
 &rst
  ixpk= 1907, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 312, 313, 314, 751, 752,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:1910     0 AMB  25-1:1910   2.50    (#   1910:25  Double Ambig)
 &rst
  ixpk= 1910, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 424, 425, 424, 425,1152,1153,
 igr2=1135,1136,1137,1139,1140,1141, 561, 562, 563, 565,
       566, 567,
 &end
#
#   38 LYS  HA           41 LEU  MDX         5.50    (#   1912:25  Unique         2.92, 5.22 A)
 &rst
  ixpk= 1912, nxpk= 25, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1917    24 VAL  MGY         5.50    (#   1917:25  Single Ambig)
 &rst
  ixpk= 1917, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 319, 320, 319, 320,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   38 LYS  HA           50 VAL  MGY         5.50    (#   1918:25  Unique         4.49, 6.08 A)
 &rst
  ixpk= 1918, nxpk= 25, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   91 VAL  HA           91 VAL  MGX         2.50    (#   1919:25  Unique         2.31, 3.48 A)
 &rst
  ixpk= 1919, nxpk= 25, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  25-2:1920     0 AMB  25-1:1920   4.50    (#   1920:25  Double Ambig)
 &rst
  ixpk= 1920, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1=1424,1425, 510, 511,
 igr2=1357,1358,1359,1361,1362,1363,1135,1136,1137,1139,
      1140,1141, 561, 562, 563, 565, 566, 567,
 &end
#
#   37 VAL  HA            0 AMB  25-1:1921   2.50    (#   1921:25  Single Ambig)
 &rst
  ixpk= 1921, nxpk= 25, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 561, 562, 563, 565, 566, 567,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   38 LYS  HA           37 VAL  MGX         4.50    (#   1922:25  Unique         3.42, 5.59 A)
 &rst
  ixpk= 1922, nxpk= 25, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   88 CYS  HB+          37 VAL  MGX         4.50    (#   1923:25  Unique         2.37, 5.03 A)
 &rst
  ixpk= 1923, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1318,1319,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  25-2:1924     0 AMB  25-1:1924   2.50    (#   1924:25  Double Ambig)
 &rst
  ixpk= 1924, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1355, 559,
 igr2=1357,1358,1359,1361,1362,1363, 561, 562, 563, 565,
       566, 567,
 &end
#
#    0 AMB  25-2:1925    37 VAL  MGX         2.50    (#   1925:25  Single Ambig)
 &rst
  ixpk= 1925, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1149,1150,1152,1153,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  25-2:1926     0 AMB  25-1:1926   2.50    (#   1926:25  Double Ambig)
 &rst
  ixpk= 1926, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 421, 422, 636,1408,1409, 817, 818, 614, 615,
 igr2=1135,1136,1137,1139,1140,1141, 561, 562, 563, 565,
       566, 567,1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  25-2:1927     0 AMB  25-1:1927   3.50    (#   1927:25  Double Ambig)
 &rst
  ixpk= 1927, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.32, r4= 7.82,
 igr1= 578, 579,1343,1344,1345,1511,1512,
 igr2= 561, 562, 563, 565, 566, 567,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   41 LEU  HA           41 LEU  MDX         2.50    (#   1930:25  Unique         2.15, 3.85 A)
 &rst
  ixpk= 1930, nxpk= 25, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   48 TYR  HB+          41 LEU  MDX         5.50    (#   1931:25  Unique         2.34, 4.52 A)
 &rst
  ixpk= 1931, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 727, 728,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   48 TYR  HB-          41 LEU  MDX         4.50    (#   1932:25  Unique         2.34, 4.52 A)
 &rst
  ixpk= 1932, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 727, 728,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1933    41 LEU  MDX         4.50    (#   1933:25  Single Ambig)
 &rst
  ixpk= 1933, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1355, 559, 368,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1934    41 LEU  MDX         2.50    (#   1934:25  Single Ambig)
 &rst
  ixpk= 1934, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 636, 614, 615,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1935    41 LEU  MDX         2.50    (#   1935:25  Single Ambig)
 &rst
  ixpk= 1935, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 706, 707, 708, 619, 620, 621, 623, 624, 625,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1936    41 LEU  MDX         3.50    (#   1936:25  Single Ambig)
 &rst
  ixpk= 1936, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
      1184,1185,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1937    41 LEU  MDX         2.50    (#   1937:25  Single Ambig)
 &rst
  ixpk= 1937, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 561, 562, 563, 565, 566, 567, 338, 339, 340, 342,
       343, 344, 633, 634,1516,1517,1518,1520,1521,1522,
       685, 686, 687, 689, 690, 691,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#  104 LEU  MDY          41 LEU  MDX         5.50    (#   1941:25  Unique         2.50, 5.54 A)
 &rst
  ixpk= 1941, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1587,1588,1589,1591,1592,1593,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   29 THR  HB           29 THR  MG2         3.50    (#   1948:25  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1948, nxpk= 25, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 439, 440, 441,
 &end
#
#   29 THR  HA           29 THR  MG2         3.50    (#   1949:25  Unique         2.37, 2.95 A)
 &rst
  ixpk= 1949, nxpk= 25, iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 439, 440, 441,
 &end
#
#    0 AMB  25-2:1950    29 THR  MG2         3.50    (#   1950:25  Single Ambig)
 &rst
  ixpk= 1950, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 802, 803, 851, 852, 805, 806,
 igr2= 439, 440, 441,
 &end
#
#   52 GLU  HB-          29 THR  MG2         4.50    (#   1951:25  Unique         2.26, 3.56 A)
 &rst
  ixpk= 1951, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 802, 803,
 igr2= 439, 440, 441,
 &end
#
#    0 AMB  25-2:1955    42 THR  MG2         4.50    (#   1955:25  Single Ambig)
 &rst
  ixpk= 1955, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 597, 598, 575, 576,
 igr2= 654, 655, 656,
 &end
#
#   41 LEU  HB-          42 THR  MG2         5.50    (#   1956:25  Unique         6.39, 7.04 A)
 &rst
  ixpk= 1956, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 633, 634,
 igr2= 654, 655, 656,
 &end
#
#    0 AMB  25-2:1959     0 AMB  25-1:1959   2.50    (#   1959:25  Double Ambig)
 &rst
  ixpk= 1959, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1660,1119,
 igr2=1662,1663,1664,1121,1122,1123,
 &end
#
#    0 AMB  25-2:1960   110 THR  MG2         4.50    (#   1960:25  Single Ambig)
 &rst
  ixpk= 1960, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1599, 697, 698,1528,
 igr2=1662,1663,1664,
 &end
#
#    0 AMB  25-2:1961   110 THR  MG2         5.50    (#   1961:25  Single Ambig)
 &rst
  ixpk= 1961, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 697, 698,1580,
 igr2=1662,1663,1664,
 &end
#
#    0 AMB  25-2:1963   110 THR  MG2         4.50    (#   1963:25  Single Ambig)
 &rst
  ixpk= 1963, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1604,1605,1604,1605, 683,
 igr2=1662,1663,1664,
 &end
#
#    0 AMB  25-2:1965   110 THR  MG2         4.50    (#   1965:25  Single Ambig)
 &rst
  ixpk= 1965, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1587,1588,1589,1591,1592,1593,1684,1685,1684,1685,
      
 igr2=1662,1663,1664,
 &end
#
#  109 ALA  MB          110 THR  MG2         3.50    (#   1966:25  Unique         2.68, 5.03 A)
 &rst
  ixpk= 1966, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1650,1651,1652,
 igr2=1662,1663,1664,
 &end
#
#    0 AMB  25-2:1967   110 THR  MG2         4.50    (#   1967:25  Single Ambig)
 &rst
  ixpk= 1967, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1582,1583,1687,1688,
 igr2=1662,1663,1664,
 &end
#
#   41 LEU  MDY          37 VAL  MGX         2.50    (#   1974:25  Unique         2.28, 5.78 A)
 &rst
  ixpk= 1974, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   40 LEU  HA           41 LEU  MDX         5.50    (#   1975:25  Unique         5.10, 7.25 A)
 &rst
  ixpk= 1975, nxpk= 25, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:1979    42 THR  MG2         2.50    (#   1979:25  Single Ambig)
 &rst
  ixpk= 1979, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 652, 650,
 igr2= 654, 655, 656,
 &end
#
#   43 GLN  HA           42 THR  MG2         3.50    (#   1980:25  Unique         3.57, 4.67 A)
 &rst
  ixpk= 1980, nxpk= 25, iat= 664,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 654, 655, 656,
 &end
#
#    0 AMB  25-2:1981    42 THR  MG2         5.50    (#   1981:25  Single Ambig)
 &rst
  ixpk= 1981, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 669, 670, 600, 601,
 igr2= 654, 655, 656,
 &end
#
#    0 AMB  25-2:1982    42 THR  MG2         4.50    (#   1982:25  Single Ambig)
 &rst
  ixpk= 1982, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 669, 670, 600, 601,
 igr2= 654, 655, 656,
 &end
#
#   74 THR  HB           74 THR  MG2         2.50    (#   1983:25  Unique         2.41, 2.66 A)
 &rst
  ixpk= 1983, nxpk= 25, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1121,1122,1123,
 &end
#
#   73 GLY  HA-          74 THR  MG2         5.50    (#   1984:25  Unique         4.04, 6.16 A)
 &rst
  ixpk= 1984, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1110,1111,
 igr2=1121,1122,1123,
 &end
#
#   40 LEU  MDY          92 VAL  MGX         5.50    (#   1985:25  Unique         2.30, 5.01 A)
 &rst
  ixpk= 1985, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#    0 AMB  25-2:1986    51 VAL  MGY         2.50    (#   1986:25  Single Ambig)
 &rst
  ixpk= 1986, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 784, 815,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   49 LYS  HE-          51 VAL  MGY         5.50    (#   1987:25  Unique         2.19, 4.89 A)
 &rst
  ixpk= 1987, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 757, 758,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:1988    51 VAL  MGY         4.50    (#   1988:25  Single Ambig)
 &rst
  ixpk= 1988, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1= 266, 267, 268, 270, 271, 272, 866,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   51 VAL  HB           51 VAL  MGY         2.50    (#   1989:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 1989, nxpk= 25, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   53 LEU  MDX          51 VAL  MGY         3.50    (#   1990:25  Unique         2.22, 6.02 A)
 &rst
  ixpk= 1990, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:1992     0 AMB  25-1:1992   5.50    (#   1992:25  Double Ambig)
 &rst
  ixpk= 1992, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 533,1230,1231, 612,
 igr2= 561, 562, 563, 565, 566, 567, 338, 339, 340, 342,
       343, 344,
 &end
#
#   89 ASP  HA           91 VAL  MGX         5.50    (#   1993:25  Unique         5.37, 6.91 A)
 &rst
  ixpk= 1993, nxpk= 25, iat=1327,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1357,1358,1359,1361,1362,1363,
 &end
#
#   80 ILE  MG2         107 ALA  HA          4.50    (#   1994:25  Unique         4.51, 5.21 A)
 &rst
  ixpk= 1994, nxpk= 25, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1215,1216,1217,
 &end
#
#  108 ALA  MB          108 ALA  HA          2.50    (#   1996:25  Unique         2.41, 2.65 A)
 &rst
  ixpk= 1996, nxpk= 25, iat=  -1,1638, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1640,1641,1642,
 &end
#
#   48 TYR  HB+          23 VAL  MGY         3.50    (#   2008:25  Unique         2.42, 4.04 A)
 &rst
  ixpk= 2008, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 727, 728,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  25-2:2009    23 VAL  MGY         2.50    (#   2009:25  Single Ambig)
 &rst
  ixpk= 2009, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 336, 322, 323,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   46 ALA  MB           23 VAL  MGY         4.50    (#   2010:25  Unique         2.45, 5.07 A)
 &rst
  ixpk= 2010, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 706, 707, 708,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   77 ASN  HB+          25 VAL  MGY         5.50    (#   2013:25  Unique         5.49, 7.99 A)
 &rst
  ixpk= 2013, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1163,1164,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:2014    25 VAL  MGY         2.50    (#   2014:25  Single Ambig)
 &rst
  ixpk= 2014, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 368, 559,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   76 PRO  HB-          25 VAL  MGY         4.50    (#   2015:25  Unique         2.33, 4.70 A)
 &rst
  ixpk= 2015, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1152,1153,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:2017    25 VAL  MGY         2.50    (#   2017:25  Single Ambig)
 &rst
  ixpk= 2017, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1179,1180,1181,1183,1184,1185, 338, 339, 340, 342,
       343, 344,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   41 LEU  MDY          25 VAL  MGY         2.50    (#   2019:25  Unique         2.28, 5.72 A)
 &rst
  ixpk= 2019, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:2021    70 THR  MG2         3.50    (#   2021:25  Single Ambig)
 &rst
  ixpk= 2021, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1065, 995,
 igr2=1069,1070,1071,
 &end
#
#   67 ALA  HA           70 THR  MG2         5.50    (#   2022:25  Unique         4.95, 6.05 A)
 &rst
  ixpk= 2022, nxpk= 25, iat=1014,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1069,1070,1071,
 &end
#
#    0 AMB  25-2:2023    70 THR  MG2         3.50    (#   2023:25  Single Ambig)
 &rst
  ixpk= 2023, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1043,1044,1043,1044,
 igr2=1069,1070,1071,
 &end
#
#    0 AMB  25-2:2024    70 THR  MG2         5.50    (#   2024:25  Single Ambig)
 &rst
  ixpk= 2024, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=1094,1095,1266, 384, 385,
 igr2=1069,1070,1071,
 &end
#
#   84 GLN  HG-          70 THR  MG2         3.50    (#   2025:25  Unique         2.32, 3.75 A)
 &rst
  ixpk= 2025, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1271,1272,
 igr2=1069,1070,1071,
 &end
#
#   84 GLN  HG+          70 THR  MG2         3.50    (#   2026:25  Unique         2.32, 3.75 A)
 &rst
  ixpk= 2026, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1271,1272,
 igr2=1069,1070,1071,
 &end
#
#   84 GLN  HB-          70 THR  MG2         5.50    (#   2027:25  Unique         2.75, 4.58 A)
 &rst
  ixpk= 2027, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1268,1269,
 igr2=1069,1070,1071,
 &end
#
#   66 LEU  MDY          70 THR  MG2         5.50    (#   2028:25  Unique         2.30, 4.85 A)
 &rst
  ixpk= 2028, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2=1069,1070,1071,
 &end
#
#    0 AMB  25-2:2029   109 ALA  HA          4.50    (#   2029:25  Single Ambig)
 &rst
  ixpk= 2029, nxpk= 25, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 716, 717, 716, 717,
 &end
#
#   22 PRO  HB+         109 ALA  HA          4.50    (#   2030:25  Unique         2.71, 3.46 A)
 &rst
  ixpk= 2030, nxpk= 25, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 325, 326,
 &end
#
#   22 PRO  HB-         109 ALA  HA          4.50    (#   2031:25  Unique         2.71, 3.46 A)
 &rst
  ixpk= 2031, nxpk= 25, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 325, 326,
 &end
#
#   22 PRO  HG+         109 ALA  HA          5.50    (#   2032:25  Unique         2.50, 2.74 A)
 &rst
  ixpk= 2032, nxpk= 25, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 322, 323,
 &end
#
#  109 ALA  MB          109 ALA  HA          2.50    (#   2033:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 2033, nxpk= 25, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1650,1651,1652,
 &end
#
#  104 LEU  MDX         109 ALA  HA          7.00    (#   2034:25  Unique         4.94, 6.71 A)
 &rst
  ixpk= 2034, nxpk= 25, iat=  -1,1648, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1587,1588,1589,1591,1592,1593,
 &end
#
#   81 GLY  HA-         107 ALA  HA          5.50    (#   2035:25  Unique         3.33, 3.98 A)
 &rst
  ixpk= 2035, nxpk= 25, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1230,1231,
 &end
#
#  107 ALA  MB          107 ALA  HA          2.50    (#   2036:25  Unique         2.45, 2.66 A)
 &rst
  ixpk= 2036, nxpk= 25, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1630,1631,1632,
 &end
#
#  104 LEU  HA          107 ALA  HA          5.50    (#   2038:25  Unique         5.28, 5.39 A)
 &rst
  ixpk= 2038, nxpk= 25, iat=1580,1628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   89 ASP  HA           92 VAL  MGX         4.50    (#   2042:25  Unique         2.11, 4.55 A)
 &rst
  ixpk= 2042, nxpk= 25, iat=1327,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#    0 AMB  25-2:2043    92 VAL  MGX         5.50    (#   2043:25  Single Ambig)
 &rst
  ixpk= 2043, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1339,1439,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   92 VAL  HA           92 VAL  MGX         3.50    (#   2044:25  Unique         2.47, 3.21 A)
 &rst
  ixpk= 2044, nxpk= 25, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   36 ARG  HD+          92 VAL  MGX         5.50    (#   2045:25  Unique         2.42, 5.28 A)
 &rst
  ixpk= 2045, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 541, 542,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   96 GLN  HG-          92 VAL  MGX         4.50    (#   2046:25  Unique         2.96, 5.78 A)
 &rst
  ixpk= 2046, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1444,1445,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   96 GLN  HG+          92 VAL  MGX         4.50    (#   2047:25  Unique         2.96, 5.78 A)
 &rst
  ixpk= 2047, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1444,1445,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#    0 AMB  25-2:2048    92 VAL  MGX         2.50    (#   2048:25  Single Ambig)
 &rst
  ixpk= 2048, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1371,1387,1388, 535, 536,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   40 LEU  MDY          92 VAL  MGX         5.50    (#   2049:25  Unique         2.30, 5.01 A)
 &rst
  ixpk= 2049, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   40 LEU  MDX          92 VAL  MGX         4.50    (#   2050:25  Unique         2.30, 5.01 A)
 &rst
  ixpk= 2050, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   40 LEU  HG           92 VAL  MGX         4.50    (#   2051:25  Unique         4.61, 6.47 A)
 &rst
  ixpk= 2051, nxpk= 25, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   44 VAL  HA           44 VAL  MGY         2.50    (#   2052:25  Unique         2.37, 3.50 A)
 &rst
  ixpk= 2052, nxpk= 25, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#    0 AMB  25-2:2053    44 VAL  MGY         4.50    (#   2053:25  Single Ambig)
 &rst
  ixpk= 2053, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 612, 664,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   41 LEU  HA           44 VAL  MGY         4.50    (#   2054:25  Unique         2.08, 4.08 A)
 &rst
  ixpk= 2054, nxpk= 25, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   44 VAL  HB           44 VAL  MGY         2.50    (#   2055:25  Unique         2.39, 2.65 A)
 &rst
  ixpk= 2055, nxpk= 25, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#    0 AMB  25-2:2056    44 VAL  MGY         4.50    (#   2056:25  Single Ambig)
 &rst
  ixpk= 2056, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1=1587,1588,1589,1591,1592,1593,1533,1530,1531,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   46 ALA  MB           44 VAL  MGY         3.50    (#   2057:25  Unique         2.32, 5.39 A)
 &rst
  ixpk= 2057, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 706, 707, 708,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   76 PRO  HB+          25 VAL  MGY         5.50    (#   2058:25  Unique         2.33, 4.70 A)
 &rst
  ixpk= 2058, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1152,1153,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   38 LYS  HA           25 VAL  MGY         5.50    (#   2059:25  Unique         3.79, 5.37 A)
 &rst
  ixpk= 2059, nxpk= 25, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   48 TYR  HB+          25 VAL  MGY         4.50    (#   2060:25  Unique         2.58, 5.86 A)
 &rst
  ixpk= 2060, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 727, 728,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   48 TYR  HB-          25 VAL  MGY         4.50    (#   2061:25  Unique         2.58, 5.86 A)
 &rst
  ixpk= 2061, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 727, 728,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   23 VAL  HB           25 VAL  MGY         5.50    (#   2062:25  Unique         4.58, 7.04 A)
 &rst
  ixpk= 2062, nxpk= 25, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:2063    25 VAL  MGY         4.50    (#   2063:25  Single Ambig)
 &rst
  ixpk= 2063, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 581, 582, 636,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:2066    46 ALA  MB          5.50    (#   2066:25  Single Ambig)
 &rst
  ixpk= 2066, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 697, 698,1528,
 igr2= 706, 707, 708,
 &end
#
#    0 AMB  25-2:2067    46 ALA  MB          4.50    (#   2067:25  Single Ambig)
 &rst
  ixpk= 2067, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 727, 728, 683,
 igr2= 706, 707, 708,
 &end
#
#   23 VAL  MGX          46 ALA  MB          3.50    (#   2068:25  Unique         2.45, 5.07 A)
 &rst
  ixpk= 2068, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2= 706, 707, 708,
 &end
#
#   41 LEU  MDY          46 ALA  MB          4.50    (#   2069:25  Unique         2.58, 4.90 A)
 &rst
  ixpk= 2069, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 706, 707, 708,
 &end
#
#   95 HIS  HB+          92 VAL  MGX         5.50    (#   2070:25  Unique         4.09, 5.83 A)
 &rst
  ixpk= 2070, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1424,1425,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   81 GLY  HA-          23 VAL  MGY         5.50    (#   2072:25  Unique         5.89, 7.83 A)
 &rst
  ixpk= 2072, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1230,1231,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   27 SER  HB+          25 VAL  MGX         3.50    (#   2074:25  Unique         2.15, 5.83 A)
 &rst
  ixpk= 2074, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 404, 405,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:2076    25 VAL  MGX         2.50    (#   2076:25  Single Ambig)
 &rst
  ixpk= 2076, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 368, 559,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:2077     0 AMB  25-1:2077   4.50    (#   2077:25  Double Ambig)
 &rst
  ixpk= 2077, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 508,1146,1147,
 igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   88 CYS  HA           78 VAL  MGY         5.50    (#   2078:25  Unique         3.64, 5.65 A)
 &rst
  ixpk= 2078, nxpk= 25, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   87 GLY  HA-          78 VAL  MGY         5.50    (#   2079:25  Unique         2.30, 5.78 A)
 &rst
  ixpk= 2079, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1309,1310,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   26 PHE  HB+          25 VAL  MGX         4.50    (#   2080:25  Unique         5.05, 7.40 A)
 &rst
  ixpk= 2080, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 384, 385,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:2081     0 AMB  25-1:2081   3.50    (#   2081:25  Double Ambig)
 &rst
  ixpk= 2081, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1152,1153,1152,1153,
 igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   38 LYS  HG+          25 VAL  MGX         4.50    (#   2082:25  Unique         2.87, 4.91 A)
 &rst
  ixpk= 2082, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 578, 579,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   41 LEU  MDX           0 AMB  25-1:2083   4.50    (#   2083:25  Single Ambig)
 &rst
  ixpk= 2083, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   24 VAL  MGX          25 VAL  MGX         5.50    (#   2085:25  Unique         5.24, 7.68 A)
 &rst
  ixpk= 2085, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   41 LEU  MDY           0 AMB  25-1:2086   3.50    (#   2086:25  Single Ambig)
 &rst
  ixpk= 2086, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#  114 PRO  HD-         111 ALA  HA          5.50    (#   2089:25  Unique         2.40, 5.75 A)
 &rst
  ixpk= 2089, nxpk= 25, iat=  -1,1672, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1717,1718,
 &end
#
#    0 AMB  25-2:2090     0 AMB  25-1:2090   2.50    (#   2090:25  Double Ambig)
 &rst
  ixpk= 2090, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1734,1735,1736,1674,1675,1676,
 igr2=1732,1672,
 &end
#
#    0 AMB  25-2:2095    21 ALA  MB          2.50    (#   2095:25  Single Ambig)
 &rst
  ixpk= 2095, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 319, 320, 319, 320,
 igr2= 312, 313, 314,
 &end
#
#    0 AMB  25-2:2096    21 ALA  MB          5.50    (#   2096:25  Single Ambig)
 &rst
  ixpk= 2096, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 727, 728, 757, 758,
 igr2= 312, 313, 314,
 &end
#
#   22 PRO  HG-          21 ALA  MB          3.50    (#   2097:25  Unique         3.82, 5.27 A)
 &rst
  ixpk= 2097, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 322, 323,
 igr2= 312, 313, 314,
 &end
#
#   22 PRO  HG+          21 ALA  MB          5.50    (#   2098:25  Unique         3.82, 5.27 A)
 &rst
  ixpk= 2098, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 322, 323,
 igr2= 312, 313, 314,
 &end
#
#   49 LYS  HB+          21 ALA  MB          3.50    (#   2099:25  Unique         2.31, 2.96 A)
 &rst
  ixpk= 2099, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 748, 749,
 igr2= 312, 313, 314,
 &end
#
#   49 LYS  QD           21 ALA  MB          3.50    (#   2100:25  Unique         2.85, 4.29 A)
 &rst
  ixpk= 2100, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 754, 755,
 igr2= 312, 313, 314,
 &end
#
#   20 SER  HA           21 ALA  MB          5.50    (#   2101:25  Unique         5.12, 5.73 A)
 &rst
  ixpk= 2101, nxpk= 25, iat= 299,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 312, 313, 314,
 &end
#
#   49 LYS  HE-          21 ALA  MB          5.50    (#   2102:25  Unique         5.36, 6.36 A)
 &rst
  ixpk= 2102, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 757, 758,
 igr2= 312, 313, 314,
 &end
#
#    0 AMB  25-2:2103    21 ALA  MB          5.50    (#   2103:25  Single Ambig)
 &rst
  ixpk= 2103, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 727, 728, 325, 326,
 igr2= 312, 313, 314,
 &end
#
#   24 VAL  MGY          21 ALA  MB          2.50    (#   2104:25  Unique         2.26, 5.19 A)
 &rst
  ixpk= 2104, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 312, 313, 314,
 &end
#
#   24 VAL  MGX          21 ALA  MB          5.50    (#   2105:25  Unique         2.26, 5.19 A)
 &rst
  ixpk= 2105, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 312, 313, 314,
 &end
#
#   22 PRO  HA           21 ALA  MB          4.50    (#   2106:25  Unique         4.97, 5.46 A)
 &rst
  ixpk= 2106, nxpk= 25, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 312, 313, 314,
 &end
#
#    0 AMB  25-2:2107    46 ALA  MB          5.50    (#   2107:25  Single Ambig)
 &rst
  ixpk= 2107, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1658,1648,
 igr2= 706, 707, 708,
 &end
#
#    0 AMB  25-2:2108    46 ALA  MB          2.50    (#   2108:25  Single Ambig)
 &rst
  ixpk= 2108, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 633, 634, 685, 686, 687, 689, 690, 691, 685, 686,
       687, 689, 690, 691, 338, 339, 340, 342, 343, 344,
      
 igr2= 706, 707, 708,
 &end
#
#  104 LEU  MDX          46 ALA  MB          2.50    (#   2109:25  Unique         2.22, 3.93 A)
 &rst
  ixpk= 2109, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1587,1588,1589,1591,1592,1593,
 igr2= 706, 707, 708,
 &end
#
#   41 LEU  MDX          46 ALA  MB          3.50    (#   2110:25  Unique         2.58, 4.90 A)
 &rst
  ixpk= 2110, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 706, 707, 708,
 &end
#
#   48 TYR  HB+          46 ALA  MB          5.50    (#   2111:25  Unique         3.20, 5.03 A)
 &rst
  ixpk= 2111, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 727, 728,
 igr2= 706, 707, 708,
 &end
#
#    0 AMB  25-2:2112    46 ALA  MB          4.50    (#   2112:25  Single Ambig)
 &rst
  ixpk= 2112, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1650,1651,1652, 636,
 igr2= 706, 707, 708,
 &end
#
#   78 VAL  HB           78 VAL  MGY         2.50    (#   2114:25  Unique         2.42, 2.67 A)
 &rst
  ixpk= 2114, nxpk= 25, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   76 PRO  HB-           0 AMB  25-1:2115   3.50    (#   2115:25  Single Ambig)
 &rst
  ixpk= 2115, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1152,1153,
 igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   80 ILE  HG1-         78 VAL  MGY         4.50    (#   2116:25  Unique         2.43, 5.49 A)
 &rst
  ixpk= 2116, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1219,1220,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   41 LEU  HB+          25 VAL  MGX         4.50    (#   2117:25  Unique         4.31, 6.68 A)
 &rst
  ixpk= 2117, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 633, 634,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   79 PHE  HB+          24 VAL  MGX         5.50    (#   2120:25  Unique         3.70, 5.10 A)
 &rst
  ixpk= 2120, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1193,1194,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:2121    24 VAL  MGX         5.50    (#   2121:25  Single Ambig)
 &rst
  ixpk= 2121, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 301, 302, 784,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   18 ALA  HA           24 VAL  MGX         3.50    (#   2122:25  Unique         2.20, 3.29 A)
 &rst
  ixpk= 2122, nxpk= 25, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   17 LEU  HB+          24 VAL  MGX         5.50    (#   2123:25  Unique         2.87, 5.31 A)
 &rst
  ixpk= 2123, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 261, 262,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   24 VAL  HB           24 VAL  MGX         3.50    (#   2125:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 2125, nxpk= 25, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   49 LYS  QD           24 VAL  MGX         4.50    (#   2126:25  Unique         2.39, 4.47 A)
 &rst
  ixpk= 2126, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 754, 755,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   51 VAL  MGX          24 VAL  MGX         3.50    (#   2130:25  Unique         2.50, 6.46 A)
 &rst
  ixpk= 2130, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#  104 LEU  MDY         109 ALA  MB          5.50    (#   2133:25  Unique         2.40, 4.55 A)
 &rst
  ixpk= 2133, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1587,1588,1589,1591,1592,1593,
 igr2=1650,1651,1652,
 &end
#
#   46 ALA  MB          109 ALA  MB          3.50    (#   2135:25  Unique         2.47, 4.46 A)
 &rst
  ixpk= 2135, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 706, 707, 708,
 igr2=1650,1651,1652,
 &end
#
#   41 LEU  MDX         109 ALA  MB          5.50    (#   2136:25  Unique         4.78, 7.46 A)
 &rst
  ixpk= 2136, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2=1650,1651,1652,
 &end
#
#    0 AMB  25-2:2139    24 VAL  MGX         5.50    (#   2139:25  Single Ambig)
 &rst
  ixpk= 2139, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 757, 758, 384, 385,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   49 LYS  HE+          24 VAL  MGX         5.50    (#   2140:25  Unique         3.70, 5.62 A)
 &rst
  ixpk= 2140, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 757, 758,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   25 VAL  HB           24 VAL  MGX         5.50    (#   2141:25  Unique         5.16, 6.77 A)
 &rst
  ixpk= 2141, nxpk= 25, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:2142    24 VAL  MGX         4.50    (#   2142:25  Single Ambig)
 &rst
  ixpk= 2142, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 312, 313, 314, 751, 752,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#  109 ALA  HA          109 ALA  MB          2.50    (#   2145:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 2145, nxpk= 25, iat=1648,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1650,1651,1652,
 &end
#
#  104 LEU  HA          109 ALA  MB          4.50    (#   2146:25  Unique         2.62, 3.56 A)
 &rst
  ixpk= 2146, nxpk= 25, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1650,1651,1652,
 &end
#
#   22 PRO  HB+         109 ALA  MB          4.50    (#   2148:25  Unique         2.29, 4.20 A)
 &rst
  ixpk= 2148, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 325, 326,
 igr2=1650,1651,1652,
 &end
#
#    0 AMB  25-2:2149   109 ALA  MB          3.50    (#   2149:25  Single Ambig)
 &rst
  ixpk= 2149, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 325, 326,1582,1583,
 igr2=1650,1651,1652,
 &end
#
#  110 THR  MG2         109 ALA  MB          4.50    (#   2150:25  Unique         2.68, 5.03 A)
 &rst
  ixpk= 2150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1662,1663,1664,
 igr2=1650,1651,1652,
 &end
#
#   23 VAL  MGX         109 ALA  MB          3.50    (#   2151:25  Unique         2.21, 4.57 A)
 &rst
  ixpk= 2151, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2=1650,1651,1652,
 &end
#
#  104 LEU  MDX         109 ALA  MB          4.50    (#   2152:25  Unique         2.40, 4.55 A)
 &rst
  ixpk= 2152, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1587,1588,1589,1591,1592,1593,
 igr2=1650,1651,1652,
 &end
#
#   81 GLY  HA+         107 ALA  MB          3.50    (#   2158:25  Unique         2.60, 3.90 A)
 &rst
  ixpk= 2158, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1230,1231,
 igr2=1630,1631,1632,
 &end
#
#    0 AMB  25-2:2160   107 ALA  MB          4.50    (#   2160:25  Single Ambig)
 &rst
  ixpk= 2160, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 322, 323, 336,
 igr2=1630,1631,1632,
 &end
#
#    0 AMB  25-2:2161   107 ALA  MB          4.50    (#   2161:25  Single Ambig)
 &rst
  ixpk= 2161, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1566, 322, 323,
 igr2=1630,1631,1632,
 &end
#
#    0 AMB  25-2:2163   107 ALA  MB          3.50    (#   2163:25  Single Ambig)
 &rst
  ixpk= 2163, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1587,1588,1589,1591,1592,1593,1222,1223,1224,
 igr2=1630,1631,1632,
 &end
#
#   44 VAL  HB           44 VAL  MGX         2.50    (#   2170:25  Unique         2.39, 2.65 A)
 &rst
  ixpk= 2170, nxpk= 25, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#    0 AMB  25-2:2171    44 VAL  MGX         4.50    (#   2171:25  Single Ambig)
 &rst
  ixpk= 2171, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 636, 614, 615,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#  104 LEU  HB-          44 VAL  MGX         4.50    (#   2172:25  Unique         4.23, 6.11 A)
 &rst
  ixpk= 2172, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1582,1583,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   41 LEU  MDX          44 VAL  MGX         4.50    (#   2173:25  Unique         2.99, 7.13 A)
 &rst
  ixpk= 2173, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   41 LEU  MDY          44 VAL  MGX         5.50    (#   2174:25  Unique         2.99, 7.13 A)
 &rst
  ixpk= 2174, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   44 VAL  HA           44 VAL  MGX         3.50    (#   2175:25  Unique         2.37, 3.50 A)
 &rst
  ixpk= 2175, nxpk= 25, iat= 681,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   45 GLY  HA+          44 VAL  MGX         4.50    (#   2176:25  Unique         4.67, 6.36 A)
 &rst
  ixpk= 2176, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 697, 698,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   41 LEU  HA           44 VAL  MGX         3.50    (#   2177:25  Unique         2.08, 4.08 A)
 &rst
  ixpk= 2177, nxpk= 25, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#  104 LEU  HB+          44 VAL  MGX         5.50    (#   2178:25  Unique         4.23, 6.11 A)
 &rst
  ixpk= 2178, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1582,1583,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#    0 AMB  25-2:2179    44 VAL  MGX         4.50    (#   2179:25  Single Ambig)
 &rst
  ixpk= 2179, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1=1587,1588,1589,1591,1592,1593,1533,1530,1531,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   46 ALA  MB           44 VAL  MGX         2.50    (#   2180:25  Unique         2.32, 5.39 A)
 &rst
  ixpk= 2180, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 706, 707, 708,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#  101 LEU  MDX          44 VAL  MGX         3.50    (#   2181:25  Unique         2.19, 5.45 A)
 &rst
  ixpk= 2181, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1535,1536,1537,1539,1540,1541,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#    0 AMB  25-2:2185    51 VAL  MGX         5.50    (#   2185:25  Single Ambig)
 &rst
  ixpk= 2185, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 940, 941, 195, 196,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:2186    51 VAL  MGX         3.50    (#   2186:25  Single Ambig)
 &rst
  ixpk= 2186, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 784, 815,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   18 ALA  HA           51 VAL  MGX         5.50    (#   2187:25  Unique         5.06, 7.30 A)
 &rst
  ixpk= 2187, nxpk= 25, iat= 278,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   49 LYS  HE-          51 VAL  MGX         4.50    (#   2188:25  Unique         2.19, 4.89 A)
 &rst
  ixpk= 2188, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 757, 758,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   49 LYS  HE+          51 VAL  MGX         4.50    (#   2189:25  Unique         2.19, 4.89 A)
 &rst
  ixpk= 2189, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 757, 758,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:2190    51 VAL  MGX         4.50    (#   2190:25  Single Ambig)
 &rst
  ixpk= 2190, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 261, 262, 820,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:2191    51 VAL  MGX         5.50    (#   2191:25  Single Ambig)
 &rst
  ixpk= 2191, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1= 940, 941, 368, 805, 806,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:2192    51 VAL  MGX         5.50    (#   2192:25  Single Ambig)
 &rst
  ixpk= 2192, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.25, r4=10.75,
 igr1= 266, 267, 268, 270, 271, 272, 866,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   51 VAL  HB           51 VAL  MGX         2.50    (#   2193:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 2193, nxpk= 25, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   49 LYS  QD           51 VAL  MGX         4.50    (#   2194:25  Unique         2.58, 6.05 A)
 &rst
  ixpk= 2194, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 754, 755,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   49 LYS  HG-          51 VAL  MGX         4.50    (#   2195:25  Unique         2.65, 5.79 A)
 &rst
  ixpk= 2195, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 751, 752,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:2196    51 VAL  MGX         3.50    (#   2196:25  Single Ambig)
 &rst
  ixpk= 2196, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 822, 823, 824, 826, 827, 828, 261, 262,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   24 VAL  MGX          51 VAL  MGX         3.50    (#   2198:25  Unique         2.50, 6.46 A)
 &rst
  ixpk= 2198, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#  106 ASP  HB-         107 ALA  MB          5.50    (#   2200:25  Unique         4.19, 5.83 A)
 &rst
  ixpk= 2200, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1618,1619,
 igr2=1630,1631,1632,
 &end
#
#   80 ILE  HG1+        107 ALA  MB          5.50    (#   2202:25  Unique         5.36, 6.13 A)
 &rst
  ixpk= 2202, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1219,1220,
 igr2=1630,1631,1632,
 &end
#
#  111 ALA  HA          111 ALA  MB          2.50    (#   2203:25  Unique         2.43, 2.66 A)
 &rst
  ixpk= 2203, nxpk= 25, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1674,1675,1676,
 &end
#
#    0 AMB  25-2:2204   111 ALA  MB          5.50    (#   2204:25  Single Ambig)
 &rst
  ixpk= 2204, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1717,1718,1717,1718,
 igr2=1674,1675,1676,
 &end
#
#  107 ALA  HA          107 ALA  MB          2.50    (#   2206:25  Unique         2.45, 2.66 A)
 &rst
  ixpk= 2206, nxpk= 25, iat=1628,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1630,1631,1632,
 &end
#
#  104 LEU  HA          107 ALA  MB          4.50    (#   2207:25  Unique         2.49, 3.52 A)
 &rst
  ixpk= 2207, nxpk= 25, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1630,1631,1632,
 &end
#
#  106 ASP  HB+         107 ALA  MB          5.50    (#   2208:25  Unique         4.19, 5.83 A)
 &rst
  ixpk= 2208, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1618,1619,
 igr2=1630,1631,1632,
 &end
#
#   22 PRO  HB+         107 ALA  MB          4.50    (#   2209:25  Unique         2.64, 4.19 A)
 &rst
  ixpk= 2209, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 325, 326,
 igr2=1630,1631,1632,
 &end
#
#   23 VAL  MGX         107 ALA  MB          4.50    (#   2210:25  Unique         4.11, 6.36 A)
 &rst
  ixpk= 2210, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2=1630,1631,1632,
 &end
#
#   80 ILE  MG2         107 ALA  MB          2.50    (#   2211:25  Unique         2.26, 3.21 A)
 &rst
  ixpk= 2211, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1=1215,1216,1217,
 igr2=1630,1631,1632,
 &end
#
#  106 ASP  HB-         107 ALA  MB          5.50    (#   2212:25  Unique         4.19, 5.83 A)
 &rst
  ixpk= 2212, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1618,1619,
 igr2=1630,1631,1632,
 &end
#
#  113 ASN  HB-         114 PRO  HD-         5.50    (#   2213:25  Unique         2.20, 4.62 A)
 &rst
  ixpk= 2213, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1706,1707,
 igr2=1717,1718,
 &end
#
#  113 ASN  HB-         114 PRO  HD+         5.50    (#   2214:25  Unique         2.20, 4.62 A)
 &rst
  ixpk= 2214, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1706,1707,
 igr2=1717,1718,
 &end
#
#   80 ILE  HG1+        107 ALA  MB          5.50    (#   2216:25  Unique         5.36, 6.13 A)
 &rst
  ixpk= 2216, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1219,1220,
 igr2=1630,1631,1632,
 &end
#
#    0 AMB  25-2:2217    10 ALA  MB          2.50    (#   2217:25  Single Ambig)
 &rst
  ixpk= 2217, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 139,  98,
 igr2= 141, 142, 143,
 &end
#
#    0 AMB  25-2:2218    10 ALA  MB          4.50    (#   2218:25  Single Ambig)
 &rst
  ixpk= 2218, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 149, 212,
 igr2= 141, 142, 143,
 &end
#
#   61 GLN  HG-          10 ALA  MB          4.50    (#   2219:25  Unique         2.55, 5.78 A)
 &rst
  ixpk= 2219, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 926, 927,
 igr2= 141, 142, 143,
 &end
#
#   61 GLN  HG+          10 ALA  MB          4.50    (#   2220:25  Unique         2.55, 5.78 A)
 &rst
  ixpk= 2220, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 926, 927,
 igr2= 141, 142, 143,
 &end
#
#   61 GLN  HB+          10 ALA  MB          4.50    (#   2221:25  Unique         2.31, 3.77 A)
 &rst
  ixpk= 2221, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 923, 924,
 igr2= 141, 142, 143,
 &end
#
#   61 GLN  HB-          10 ALA  MB          3.50    (#   2222:25  Unique         2.31, 3.77 A)
 &rst
  ixpk= 2222, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 923, 924,
 igr2= 141, 142, 143,
 &end
#
#   62 LEU  MDX          10 ALA  MB          4.50    (#   2223:25  Unique         2.28, 5.06 A)
 &rst
  ixpk= 2223, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2= 141, 142, 143,
 &end
#
#    0 AMB  25-2:2224    10 ALA  MB          4.50    (#   2224:25  Single Ambig)
 &rst
  ixpk= 2224, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 151, 152, 100, 101, 198, 199,
 igr2= 141, 142, 143,
 &end
#
#   62 LEU  MDY          10 ALA  MB          2.50    (#   2225:25  Unique         2.28, 5.06 A)
 &rst
  ixpk= 2225, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2= 141, 142, 143,
 &end
#
#   33 TYR  HB+          76 PRO  HD-         5.50    (#   2227:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 2227, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 489, 490,
 igr2=1146,1147,
 &end
#
#   37 VAL  MGY          76 PRO  HD-         5.50    (#   2228:25  Unique         4.39, 6.20 A)
 &rst
  ixpk= 2228, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 561, 562, 563, 565, 566, 567,
 igr2=1146,1147,
 &end
#
#  114 PRO  HA          114 PRO  HD-         5.50    (#   2229:25  Unique         3.34, 3.76 A)
 &rst
  ixpk= 2229, nxpk= 25, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1717,1718,
 &end
#
#  114 PRO  HB-         114 PRO  HD-         4.50    (#   2231:25  Unique         2.76, 3.68 A)
 &rst
  ixpk= 2231, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1723,1724,
 igr2=1717,1718,
 &end
#
#  114 PRO  QG          114 PRO  HD-         2.50    (#   2232:25  Unique         2.29, 2.61 A)
 &rst
  ixpk= 2232, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1720,1721,
 igr2=1717,1718,
 &end
#
#   22 PRO  HA           22 PRO  HD-         5.50    (#   2233:25  Unique         3.42, 3.77 A)
 &rst
  ixpk= 2233, nxpk= 25, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 319, 320,
 &end
#
#   22 PRO  HG-          22 PRO  HD-         4.50    (#   2234:25  Unique         2.34, 2.61 A)
 &rst
  ixpk= 2234, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 322, 323,
 igr2= 319, 320,
 &end
#
#   21 ALA  MB           22 PRO  HD-         3.50    (#   2235:25  Unique         2.12, 3.70 A)
 &rst
  ixpk= 2235, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 312, 313, 314,
 igr2= 319, 320,
 &end
#
#   22 PRO  HB+          22 PRO  HD+         5.50    (#   2236:25  Unique         2.79, 3.66 A)
 &rst
  ixpk= 2236, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 325, 326,
 igr2= 319, 320,
 &end
#
#   21 ALA  MB           22 PRO  HD+         3.50    (#   2237:25  Unique         2.12, 3.70 A)
 &rst
  ixpk= 2237, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 312, 313, 314,
 igr2= 319, 320,
 &end
#
#   22 PRO  HG-          22 PRO  HD+         4.50    (#   2239:25  Unique         2.34, 2.61 A)
 &rst
  ixpk= 2239, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 322, 323,
 igr2= 319, 320,
 &end
#
#  114 PRO  QG          114 PRO  HD+         2.50    (#   2240:25  Unique         2.29, 2.61 A)
 &rst
  ixpk= 2240, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1720,1721,
 igr2=1717,1718,
 &end
#
#  111 ALA  HA          114 PRO  HD+         5.50    (#   2241:25  Unique         2.40, 5.75 A)
 &rst
  ixpk= 2241, nxpk= 25, iat=1672,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1717,1718,
 &end
#
#  114 PRO  HB-         114 PRO  HD+         4.50    (#   2242:25  Unique         2.76, 3.68 A)
 &rst
  ixpk= 2242, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1723,1724,
 igr2=1717,1718,
 &end
#
#    0 AMB  25-2:2245    76 PRO  HD-         3.50    (#   2245:25  Single Ambig)
 &rst
  ixpk= 2245, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1149,1150,1152,1153,
 igr2=1146,1147,
 &end
#
#   37 VAL  MGY          76 PRO  HD-         5.50    (#   2246:25  Unique         4.39, 6.20 A)
 &rst
  ixpk= 2246, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 561, 562, 563, 565, 566, 567,
 igr2=1146,1147,
 &end
#
#   33 TYR  HB-          76 PRO  HD+         5.50    (#   2247:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 2247, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 489, 490,
 igr2=1146,1147,
 &end
#
#   76 PRO  HD-          75 VAL  MGX         5.50    (#   2249:25  Unique         4.12, 6.15 A)
 &rst
  ixpk= 2249, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1146,1147,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#  101 LEU  MDX         102 PRO  HD-         5.50    (#   2250:25  Unique         2.43, 5.45 A)
 &rst
  ixpk= 2250, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1535,1536,1537,1539,1540,1541,
 igr2=1546,1547,
 &end
#
#    0 AMB  25-2:2257     9 ALA  MB          2.50    (#   2257:25  Single Ambig)
 &rst
  ixpk= 2257, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=  83, 129,
 igr2= 131, 132, 133,
 &end
#
#    8 ASP  HB+           9 ALA  MB          5.50    (#   2259:25  Unique         4.39, 5.92 A)
 &rst
  ixpk= 2259, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 119, 120,
 igr2= 131, 132, 133,
 &end
#
#    0 AMB  25-2:2260     0 AMB  25-1:2260   5.50    (#   2260:25  Double Ambig)
 &rst
  ixpk= 2260, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 962, 963,  71,  72,
 igr2=1016,1017,1018, 131, 132, 133,
 &end
#
#    0 AMB  25-2:2261     0 AMB  25-1:2261   3.50    (#   2261:25  Double Ambig)
 &rst
  ixpk= 2261, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 945, 946, 947, 949, 950, 951, 170, 171,
 igr2= 987, 988, 989, 131, 132, 133,
 &end
#
#    8 ASP  HB-           9 ALA  MB          5.50    (#   2263:25  Unique         4.39, 5.92 A)
 &rst
  ixpk= 2263, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 119, 120,
 igr2= 131, 132, 133,
 &end
#
#    0 AMB  25-2:2264     0 AMB  25-1:2264   4.50    (#   2264:25  Double Ambig)
 &rst
  ixpk= 2264, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1=  88,  89, 923, 924, 959, 960,
 igr2= 131, 132, 133, 987, 988, 989,1016,1017,1018,
 &end
#
#    0 AMB  25-2:2265     0 AMB  25-1:2265   3.50    (#   2265:25  Double Ambig)
 &rst
  ixpk= 2265, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 997, 998,  85,  86, 997, 998,  68,  69,
 igr2= 987, 988, 989, 131, 132, 133,1016,1017,1018,
 &end
#
#   11 LEU  HA           65 ALA  MB          2.50    (#   2267:25  Unique         2.19, 3.09 A)
 &rst
  ixpk= 2267, nxpk= 25, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 987, 988, 989,
 &end
#
#   67 ALA  HA           67 ALA  MB          2.50    (#   2268:25  Unique         2.43, 2.68 A)
 &rst
  ixpk= 2268, nxpk= 25, iat=1014,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1016,1017,1018,
 &end
#
#    0 AMB  25-2:2269     0 AMB  25-1:2269   3.50    (#   2269:25  Double Ambig)
 &rst
  ixpk= 2269, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1043,1044,1026,1027,1026,1027,1026,1027,
 igr2= 987, 988, 989,1016,1017,1018,
 &end
#
#    0 AMB  25-2:2270    65 ALA  MB          3.50    (#   2270:25  Single Ambig)
 &rst
  ixpk= 2270, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 945, 946, 947, 949, 950, 951, 156, 157, 158, 160,
       161, 162,
 igr2= 987, 988, 989,
 &end
#
#    0 AMB  25-2:2271    65 ALA  MB          2.50    (#   2271:25  Single Ambig)
 &rst
  ixpk= 2271, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 105, 106, 107, 109, 110, 111, 156, 157, 158, 160,
       161, 162,
 igr2= 987, 988, 989,
 &end
#
#   66 LEU  MDX          65 ALA  MB          4.50    (#   2272:25  Unique         3.33, 6.21 A)
 &rst
  ixpk= 2272, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 987, 988, 989,
 &end
#
#   66 LEU  MDY          65 ALA  MB          4.50    (#   2273:25  Unique         3.33, 6.21 A)
 &rst
  ixpk= 2273, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 987, 988, 989,
 &end
#
#   75 VAL  HA           75 VAL  MGX         3.50    (#   2276:25  Unique         2.29, 3.46 A)
 &rst
  ixpk= 2276, nxpk= 25, iat=1131,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  25-2:2277    75 VAL  MGX         5.50    (#   2277:25  Single Ambig)
 &rst
  ixpk= 2277, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1146,1147, 510, 511,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   27 SER  HB+          75 VAL  MGX         5.50    (#   2278:25  Unique         4.64, 6.16 A)
 &rst
  ixpk= 2278, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 404, 405,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  25-2:2279    75 VAL  MGX         3.50    (#   2279:25  Single Ambig)
 &rst
  ixpk= 2279, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 424, 425, 424, 425,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   31 CYS  HB-          75 VAL  MGX         5.50    (#   2280:25  Unique         3.39, 6.18 A)
 &rst
  ixpk= 2280, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 473, 472,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   75 VAL  HB           75 VAL  MGX         3.50    (#   2281:25  Unique         2.38, 2.65 A)
 &rst
  ixpk= 2281, nxpk= 25, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   28 LYS  HD-          75 VAL  MGX         4.50    (#   2282:25  Unique         2.29, 4.99 A)
 &rst
  ixpk= 2282, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 421, 422,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   28 LYS  QG           75 VAL  MGX         2.50    (#   2283:25  Unique         2.29, 4.26 A)
 &rst
  ixpk= 2283, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 418, 419,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  25-2:2285   102 PRO  HD-         4.50    (#   2285:25  Single Ambig)
 &rst
  ixpk= 2285, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1494,1555,
 igr2=1546,1547,
 &end
#
#  102 PRO  HB+         102 PRO  HD-         4.50    (#   2287:25  Unique         2.82, 3.70 A)
 &rst
  ixpk= 2287, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1552,1553,
 igr2=1546,1547,
 &end
#
#  102 PRO  HG-         102 PRO  HD-         3.50    (#   2288:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 2288, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1549,1550,
 igr2=1546,1547,
 &end
#
#  102 PRO  HG+         102 PRO  HD-         3.50    (#   2289:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 2289, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1549,1550,
 igr2=1546,1547,
 &end
#
#    0 AMB  25-2:2290   102 PRO  HD-         2.50    (#   2290:25  Single Ambig)
 &rst
  ixpk= 2290, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1530,1531,1552,1553,
 igr2=1546,1547,
 &end
#
#  101 LEU  HA          102 PRO  HD-         5.50    (#   2291:25  Unique         3.98, 4.14 A)
 &rst
  ixpk= 2291, nxpk= 25, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1546,1547,
 &end
#
#    0 AMB  25-2:2293     0 AMB  25-1:2293   4.50    (#   2293:25  Double Ambig)
 &rst
  ixpk= 2293, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1494,1555,
 igr2=1546,1547,1546,1547,
 &end
#
#  101 LEU  HA          102 PRO  HD+         5.50    (#   2294:25  Unique         3.98, 4.14 A)
 &rst
  ixpk= 2294, nxpk= 25, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1546,1547,
 &end
#
#  102 PRO  HB+         102 PRO  HD+         4.50    (#   2296:25  Unique         2.82, 3.70 A)
 &rst
  ixpk= 2296, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1552,1553,
 igr2=1546,1547,
 &end
#
#  102 PRO  HG-         102 PRO  HD+         3.50    (#   2297:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 2297, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1549,1550,
 igr2=1546,1547,
 &end
#
#  102 PRO  HG+         102 PRO  HD+         4.50    (#   2298:25  Unique         2.28, 2.60 A)
 &rst
  ixpk= 2298, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1549,1550,
 igr2=1546,1547,
 &end
#
#    0 AMB  25-2:2299     0 AMB  25-1:2299   3.50    (#   2299:25  Double Ambig)
 &rst
  ixpk= 2299, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1530,1531,1552,1553,
 igr2=1546,1547,1546,1547,
 &end
#
#    0 AMB  25-2:2301   108 ALA  MB          5.50    (#   2301:25  Single Ambig)
 &rst
  ixpk= 2301, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 322, 323,1601,1602,
 igr2=1640,1641,1642,
 &end
#
#   82 GLY  HA+          18 ALA  MB          5.50    (#   2308:25  Unique         2.85, 5.13 A)
 &rst
  ixpk= 2308, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1237,1238,
 igr2= 280, 281, 282,
 &end
#
#    0 AMB  25-2:2309    18 ALA  MB          4.50    (#   2309:25  Single Ambig)
 &rst
  ixpk= 2309, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 290, 291, 212, 244,
 igr2= 280, 281, 282,
 &end
#
#    0 AMB  25-2:2310    18 ALA  MB          2.50    (#   2310:25  Single Ambig)
 &rst
  ixpk= 2310, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 222, 278,1237,1238,
 igr2= 280, 281, 282,
 &end
#
#   79 PHE  HB+          18 ALA  MB          5.50    (#   2311:25  Unique         3.03, 4.46 A)
 &rst
  ixpk= 2311, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1193,1194,
 igr2= 280, 281, 282,
 &end
#
#   79 PHE  HB-          18 ALA  MB          5.50    (#   2312:25  Unique         3.03, 4.46 A)
 &rst
  ixpk= 2312, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1193,1194,
 igr2= 280, 281, 282,
 &end
#
#   17 LEU  HB+          18 ALA  MB          4.50    (#   2313:25  Unique         4.24, 5.35 A)
 &rst
  ixpk= 2313, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 261, 262,
 igr2= 280, 281, 282,
 &end
#
#   24 VAL  HB           18 ALA  MB          4.50    (#   2314:25  Unique         3.97, 4.66 A)
 &rst
  ixpk= 2314, nxpk= 25, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 280, 281, 282,
 &end
#
#    0 AMB  25-2:2315    18 ALA  MB          5.50    (#   2315:25  Single Ambig)
 &rst
  ixpk= 2315, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1268,1269, 233, 234,
 igr2= 280, 281, 282,
 &end
#
#    0 AMB  25-2:2316    18 ALA  MB          3.50    (#   2316:25  Single Ambig)
 &rst
  ixpk= 2316, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 224, 225, 214, 215, 216,
 igr2= 280, 281, 282,
 &end
#
#   15 LYS  HG-          18 ALA  MB          5.50    (#   2318:25  Unique         4.10, 5.54 A)
 &rst
  ixpk= 2318, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 227, 228,
 igr2= 280, 281, 282,
 &end
#
#   66 LEU  MDX          18 ALA  MB          4.50    (#   2319:25  Unique         4.62, 6.99 A)
 &rst
  ixpk= 2319, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 280, 281, 282,
 &end
#
#   24 VAL  MGX          18 ALA  MB          4.50    (#   2320:25  Unique         4.11, 5.61 A)
 &rst
  ixpk= 2320, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 280, 281, 282,
 &end
#
#   15 LYS  HG+          18 ALA  MB          5.50    (#   2321:25  Unique         4.10, 5.54 A)
 &rst
  ixpk= 2321, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 227, 228,
 igr2= 280, 281, 282,
 &end
#
#  103 LEU  HG           80 ILE  MG2         4.50    (#   2322:25  Unique         2.20, 3.38 A)
 &rst
  ixpk= 2322, nxpk= 25, iat=1566,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1215,1216,1217,
 &end
#
#   46 ALA  MB           80 ILE  MG2         5.50    (#   2323:25  Unique         5.95, 7.69 A)
 &rst
  ixpk= 2323, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 706, 707, 708,
 igr2=1215,1216,1217,
 &end
#
#    0 AMB  25-2:2324    80 ILE  MG2         2.50    (#   2324:25  Single Ambig)
 &rst
  ixpk= 2324, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 338, 339, 340, 342, 343, 344,1568,1569,1570,1572,
      1573,1574,1568,1569,1570,1572,1573,1574,
 igr2=1215,1216,1217,
 &end
#
#    0 AMB  25-2:2325    80 ILE  MG2         4.50    (#   2325:25  Single Ambig)
 &rst
  ixpk= 2325, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1230,1231,1561,
 igr2=1215,1216,1217,
 &end
#
#  104 LEU  HA           80 ILE  MG2         4.50    (#   2326:25  Unique         2.66, 3.50 A)
 &rst
  ixpk= 2326, nxpk= 25, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1215,1216,1217,
 &end
#
#   22 PRO  HB+          80 ILE  MG2         5.50    (#   2327:25  Unique         4.08, 5.87 A)
 &rst
  ixpk= 2327, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 325, 326,
 igr2=1215,1216,1217,
 &end
#
#    0 AMB  25-2:2328    80 ILE  MG2         4.50    (#   2328:25  Single Ambig)
 &rst
  ixpk= 2328, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1563,1564, 325, 326,
 igr2=1215,1216,1217,
 &end
#
#   80 ILE  HB           80 ILE  MG2         3.50    (#   2329:25  Unique         2.36, 2.66 A)
 &rst
  ixpk= 2329, nxpk= 25, iat=1213,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1215,1216,1217,
 &end
#
#    0 AMB  25-2:2330    80 ILE  MG2         2.50    (#   2330:25  Single Ambig)
 &rst
  ixpk= 2330, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1630,1631,1632,1563,1564,
 igr2=1215,1216,1217,
 &end
#
#   80 ILE  HG1+         80 ILE  MG2         3.50    (#   2331:25  Unique         2.60, 3.56 A)
 &rst
  ixpk= 2331, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1219,1220,
 igr2=1215,1216,1217,
 &end
#
#  108 ALA  HA          108 ALA  MB          2.50    (#   2333:25  Unique         2.41, 2.65 A)
 &rst
  ixpk= 2333, nxpk= 25, iat=1638,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1640,1641,1642,
 &end
#
#   22 PRO  HB+         108 ALA  MB          5.50    (#   2334:25  Unique         4.23, 5.81 A)
 &rst
  ixpk= 2334, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 325, 326,
 igr2=1640,1641,1642,
 &end
#
#    0 AMB  25-2:2337    14 ALA  MB          2.50    (#   2337:25  Single Ambig)
 &rst
  ixpk= 2337, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 212, 149,
 igr2= 214, 215, 216,
 &end
#
#    0 AMB  25-2:2338    14 ALA  MB          4.50    (#   2338:25  Single Ambig)
 &rst
  ixpk= 2338, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 222, 168,
 igr2= 214, 215, 216,
 &end
#
#    0 AMB  25-2:2339    14 ALA  MB          5.50    (#   2339:25  Single Ambig)
 &rst
  ixpk= 2339, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1043,1044, 384, 385,
 igr2= 214, 215, 216,
 &end
#
#   17 LEU  HB+          14 ALA  MB          5.50    (#   2340:25  Unique         4.32, 5.66 A)
 &rst
  ixpk= 2340, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 261, 262,
 igr2= 214, 215, 216,
 &end
#
#   66 LEU  HB+          14 ALA  MB          4.50    (#   2341:25  Unique         3.32, 6.12 A)
 &rst
  ixpk= 2341, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 997, 998,
 igr2= 214, 215, 216,
 &end
#
#    0 AMB  25-2:2342    14 ALA  MB          4.50    (#   2342:25  Single Ambig)
 &rst
  ixpk= 2342, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 266, 267, 268, 270, 271, 272, 192, 193,
 igr2= 214, 215, 216,
 &end
#
#   62 LEU  MDX          14 ALA  MB          4.50    (#   2343:25  Unique         2.24, 4.57 A)
 &rst
  ixpk= 2343, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2= 214, 215, 216,
 &end
#
#    0 AMB  25-2:2344    14 ALA  MB          4.50    (#   2344:25  Single Ambig)
 &rst
  ixpk= 2344, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 151, 152, 233, 234, 198, 199,
 igr2= 214, 215, 216,
 &end
#
#   62 LEU  MDY          14 ALA  MB          2.50    (#   2346:25  Unique         2.24, 4.57 A)
 &rst
  ixpk= 2346, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2= 214, 215, 216,
 &end
#
#   66 LEU  MDX          14 ALA  MB          3.50    (#   2347:25  Unique         2.35, 4.34 A)
 &rst
  ixpk= 2347, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 214, 215, 216,
 &end
#
#   66 LEU  MDY          14 ALA  MB          4.50    (#   2348:25  Unique         2.35, 4.34 A)
 &rst
  ixpk= 2348, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 214, 215, 216,
 &end
#
#   15 LYS  HG+          14 ALA  MB          5.50    (#   2349:25  Unique         3.62, 5.36 A)
 &rst
  ixpk= 2349, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 227, 228,
 igr2= 214, 215, 216,
 &end
#
#   66 LEU  HA           14 ALA  MB          4.50    (#   2351:25  Unique         3.67, 4.72 A)
 &rst
  ixpk= 2351, nxpk= 25, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 214, 215, 216,
 &end
#
#   62 LEU  HA           14 ALA  MB          4.50    (#   2352:25  Unique         3.83, 5.09 A)
 &rst
  ixpk= 2352, nxpk= 25, iat= 938,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 214, 215, 216,
 &end
#
#   17 LEU  HB-          14 ALA  MB          4.50    (#   2353:25  Unique         4.32, 5.66 A)
 &rst
  ixpk= 2353, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 261, 262,
 igr2= 214, 215, 216,
 &end
#
#   78 VAL  HB           85 ILE  MG2         5.50    (#   2355:25  Unique         3.61, 4.98 A)
 &rst
  ixpk= 2355, nxpk= 25, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1287,1288,1289,
 &end
#
#   85 ILE  HA           85 ILE  MG2         3.50    (#   2356:25  Unique         2.53, 3.18 A)
 &rst
  ixpk= 2356, nxpk= 25, iat=1283,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1287,1288,1289,
 &end
#
#   90 THR  HB           85 ILE  MG2         4.50    (#   2357:25  Unique         3.19, 4.46 A)
 &rst
  ixpk= 2357, nxpk= 25, iat=1341,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1287,1288,1289,
 &end
#
#   86 GLY  HA-          85 ILE  MG2         5.50    (#   2358:25  Unique         3.49, 5.21 A)
 &rst
  ixpk= 2358, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1302,1303,
 igr2=1287,1288,1289,
 &end
#
#   91 VAL  HA           85 ILE  MG2         4.50    (#   2359:25  Unique         3.99, 4.94 A)
 &rst
  ixpk= 2359, nxpk= 25, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1287,1288,1289,
 &end
#
#    0 AMB  25-2:2360    85 ILE  MG2         3.50    (#   2360:25  Single Ambig)
 &rst
  ixpk= 2360, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1411,1412,1411,1412,
 igr2=1287,1288,1289,
 &end
#
#   91 VAL  HB           85 ILE  MG2         5.50    (#   2361:25  Unique         4.94, 6.18 A)
 &rst
  ixpk= 2361, nxpk= 25, iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1287,1288,1289,
 &end
#
#    0 AMB  25-2:2362    85 ILE  MG2         2.50    (#   2362:25  Single Ambig)
 &rst
  ixpk= 2362, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1=1291,1292,1285,
 igr2=1287,1288,1289,
 &end
#
#    0 AMB  25-2:2363    85 ILE  MG2         4.50    (#   2363:25  Single Ambig)
 &rst
  ixpk= 2363, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1213,1405,1406,1271,1272,
 igr2=1287,1288,1289,
 &end
#
#   94 LYS  HD+          85 ILE  MG2         4.50    (#   2364:25  Unique         2.75, 3.52 A)
 &rst
  ixpk= 2364, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1408,1409,
 igr2=1287,1288,1289,
 &end
#
#   90 THR  MG2          85 ILE  MG2         3.50    (#   2365:25  Unique         2.77, 4.26 A)
 &rst
  ixpk= 2365, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1343,1344,1345,
 igr2=1287,1288,1289,
 &end
#
#   85 ILE  HG1+         85 ILE  MG2         3.50    (#   2366:25  Unique         2.35, 3.46 A)
 &rst
  ixpk= 2366, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1291,1292,
 igr2=1287,1288,1289,
 &end
#
#    0 AMB  25-2:2367    85 ILE  MG2         2.50    (#   2367:25  Single Ambig)
 &rst
  ixpk= 2367, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,
 igr2=1287,1288,1289,
 &end
#
#   53 LEU  HA           59 GLY  HA+         5.50    (#   2370:25  Unique         2.60, 3.58 A)
 &rst
  ixpk= 2370, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 903, 904,
 &end
#
#   62 LEU  HB+          59 GLY  HA+         5.50    (#   2371:25  Unique         2.31, 3.83 A)
 &rst
  ixpk= 2371, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 940, 941,
 igr2= 903, 904,
 &end
#
#   56 LEU  HB+          59 GLY  HA+         5.50    (#   2372:25  Unique         2.26, 3.49 A)
 &rst
  ixpk= 2372, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 863, 864,
 igr2= 903, 904,
 &end
#
#   56 LEU  MDY          59 GLY  HA+         4.50    (#   2373:25  Unique         2.27, 5.20 A)
 &rst
  ixpk= 2373, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 868, 869, 870, 872, 873, 874,
 igr2= 903, 904,
 &end
#
#   53 LEU  MDX          59 GLY  HA+         4.50    (#   2374:25  Unique         2.29, 5.11 A)
 &rst
  ixpk= 2374, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2= 903, 904,
 &end
#
#    0 AMB  25-2:2375    32 GLY  QA          4.50    (#   2375:25  Single Ambig)
 &rst
  ixpk= 2375, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 470, 519,
 igr2= 480, 481,
 &end
#
#   35 ASN  HB+          32 GLY  QA          4.50    (#   2376:25  Unique         2.32, 3.93 A)
 &rst
  ixpk= 2376, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 521, 522,
 igr2= 480, 481,
 &end
#
#    0 AMB  25-2:2383     0 AMB  25-1:2383   3.50    (#   2383:25  Double Ambig)
 &rst
  ixpk= 2383, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1630,1631,1632,1249,1250,
 igr2=1230,1231,1230,1231,
 &end
#
#   80 ILE  MG2          81 GLY  HA+         4.50    (#   2384:25  Unique         3.28, 4.59 A)
 &rst
  ixpk= 2384, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1215,1216,1217,
 igr2=1230,1231,
 &end
#
#   80 ILE  MG2          81 GLY  HA-         5.50    (#   2385:25  Unique         3.28, 4.59 A)
 &rst
  ixpk= 2385, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1215,1216,1217,
 igr2=1230,1231,
 &end
#
#    0 AMB  25-2:2387    81 GLY  HA-         4.50    (#   2387:25  Single Ambig)
 &rst
  ixpk= 2387, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1630,1631,1632,1249,1250,
 igr2=1230,1231,
 &end
#
#    0 AMB  25-2:2395    80 ILE  MD1         4.50    (#   2395:25  Single Ambig)
 &rst
  ixpk= 2395, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1509,1283,
 igr2=1222,1223,1224,
 &end
#
#  104 LEU  HA           80 ILE  MD1         5.50    (#   2396:25  Unique         3.53, 4.87 A)
 &rst
  ixpk= 2396, nxpk= 25, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1222,1223,1224,
 &end
#
#  103 LEU  HB+          80 ILE  MD1         4.50    (#   2397:25  Unique         3.34, 5.15 A)
 &rst
  ixpk= 2397, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1563,1564,
 igr2=1222,1223,1224,
 &end
#
#  103 LEU  HG           80 ILE  MD1         4.50    (#   2398:25  Unique         2.80, 3.85 A)
 &rst
  ixpk= 2398, nxpk= 25, iat=1566,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1222,1223,1224,
 &end
#
#    0 AMB  25-2:2399    80 ILE  MD1         2.50    (#   2399:25  Single Ambig)
 &rst
  ixpk= 2399, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1219,1220,1563,1564,
 igr2=1222,1223,1224,
 &end
#
#    0 AMB  25-2:2400    80 ILE  MD1         2.50    (#   2400:25  Single Ambig)
 &rst
  ixpk= 2400, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1291,1292,1219,1220,
 igr2=1222,1223,1224,
 &end
#
#   41 LEU  MDX          80 ILE  MD1         5.50    (#   2401:25  Unique         3.39, 6.02 A)
 &rst
  ixpk= 2401, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2=1222,1223,1224,
 &end
#
#   85 ILE  HG1-         80 ILE  MD1         3.50    (#   2402:25  Unique         2.29, 3.99 A)
 &rst
  ixpk= 2402, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1291,1292,
 igr2=1222,1223,1224,
 &end
#
#    0 AMB  25-2:2403    80 ILE  MD1         3.50    (#   2403:25  Single Ambig)
 &rst
  ixpk= 2403, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
      1573,1574,
 igr2=1222,1223,1224,
 &end
#
#   67 ALA  MB           73 GLY  HA+         3.50    (#   2414:25  Unique         2.24, 3.47 A)
 &rst
  ixpk= 2414, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1016,1017,1018,
 igr2=1110,1111,
 &end
#
#   67 ALA  MB           73 GLY  HA-         3.50    (#   2416:25  Unique         2.24, 3.47 A)
 &rst
  ixpk= 2416, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1016,1017,1018,
 igr2=1110,1111,
 &end
#
#   90 THR  MG2          86 GLY  HA-         5.50    (#   2419:25  Unique         2.26, 4.09 A)
 &rst
  ixpk= 2419, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1343,1344,1345,
 igr2=1302,1303,
 &end
#
#   90 THR  MG2          86 GLY  HA-         5.50    (#   2422:25  Unique         2.26, 4.09 A)
 &rst
  ixpk= 2422, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1343,1344,1345,
 igr2=1302,1303,
 &end
#
#   97 ARG  HA           97 ARG  QD          4.50    (#   2427:25  Unique         3.94, 4.53 A)
 &rst
  ixpk= 2427, nxpk= 25, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1464,1465,
 &end
#
#   93 GLU  HG+          97 ARG  QD          4.50    (#   2428:25  Unique         2.13, 4.26 A)
 &rst
  ixpk= 2428, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1390,1391,
 igr2=1464,1465,
 &end
#
#   97 ARG  HG-          97 ARG  QD          2.50    (#   2429:25  Unique         2.41, 2.65 A)
 &rst
  ixpk= 2429, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1461,1462,
 igr2=1464,1465,
 &end
#
#   36 ARG  HA           36 ARG  HD-         4.50    (#   2430:25  Unique         2.16, 4.50 A)
 &rst
  ixpk= 2430, nxpk= 25, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 541, 542,
 &end
#
#   36 ARG  HG+          36 ARG  HD-         3.50    (#   2431:25  Unique         2.33, 2.70 A)
 &rst
  ixpk= 2431, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 538, 539,
 igr2= 541, 542,
 &end
#
#   36 ARG  HB-          36 ARG  HD-         4.50    (#   2432:25  Unique         2.37, 3.03 A)
 &rst
  ixpk= 2432, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 535, 536,
 igr2= 541, 542,
 &end
#
#   36 ARG  HB+          36 ARG  HD-         4.50    (#   2433:25  Unique         2.37, 3.03 A)
 &rst
  ixpk= 2433, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 535, 536,
 igr2= 541, 542,
 &end
#
#   36 ARG  HG-          36 ARG  HD-         3.50    (#   2434:25  Unique         2.33, 2.70 A)
 &rst
  ixpk= 2434, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 538, 539,
 igr2= 541, 542,
 &end
#
#    0 AMB  25-2:2435     0 AMB  25-1:2435   2.50    (#   2435:25  Double Ambig)
 &rst
  ixpk= 2435, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1458,1459, 535, 536,1496,1497,
 igr2=1464,1465, 541, 542,
 &end
#
#    0 AMB  25-2:2436     0 AMB  25-1:2436   2.50    (#   2436:25  Double Ambig)
 &rst
  ixpk= 2436, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 538, 539,1458,1459,1461,1462,
 igr2= 541, 542,1464,1465,
 &end
#
#   36 ARG  HA           36 ARG  HD+         4.50    (#   2437:25  Unique         2.16, 4.50 A)
 &rst
  ixpk= 2437, nxpk= 25, iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 541, 542,
 &end
#
#   92 VAL  MGY          36 ARG  HD+         4.50    (#   2438:25  Unique         2.42, 5.28 A)
 &rst
  ixpk= 2438, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1373,1374,1375,1377,1378,1379,
 igr2= 541, 542,
 &end
#
#    0 AMB  25-2:2440     0 AMB  25-1:2440   3.50    (#   2440:25  Double Ambig)
 &rst
  ixpk= 2440, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 868, 869, 870, 872, 873, 874, 788, 789, 790, 792,
       793, 794, 822, 823, 824, 826, 827, 828,
 igr2= 863, 864, 863, 864, 863, 864,
 &end
#
#   56 LEU  MDY          56 LEU  HB-         3.50    (#   2441:25  Unique         2.40, 3.34 A)
 &rst
  ixpk= 2441, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 868, 869, 870, 872, 873, 874,
 igr2= 863, 864,
 &end
#
#   92 VAL  MGY          36 ARG  HD-         5.50    (#   2443:25  Unique         2.42, 5.28 A)
 &rst
  ixpk= 2443, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1373,1374,1375,1377,1378,1379,
 igr2= 541, 542,
 &end
#
#   33 TYR  HA           36 ARG  HD-         5.50    (#   2444:25  Unique         2.19, 4.05 A)
 &rst
  ixpk= 2444, nxpk= 25, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 541, 542,
 &end
#
#  117 LEU  HA          117 LEU  QB          5.50    (#   2445:25  Unique         2.29, 2.70 A)
 &rst
  ixpk= 2445, nxpk= 25, iat=1759,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1761,1762,
 &end
#
#    0 AMB  25-2:2446     0 AMB  25-1:2446   4.50    (#   2446:25  Double Ambig)
 &rst
  ixpk= 2446, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 212, 259,
 igr2= 261, 262, 261, 262,
 &end
#
#   17 LEU  MDY          17 LEU  HB+         4.50    (#   2447:25  Unique         2.40, 3.31 A)
 &rst
  ixpk= 2447, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 266, 267, 268, 270, 271, 272,
 igr2= 261, 262,
 &end
#
#    0 AMB  25-2:2449     0 AMB  25-1:2449   3.50    (#   2449:25  Double Ambig)
 &rst
  ixpk= 2449, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 264, 354, 355, 356, 358, 359, 360,
 igr2= 261, 262, 261, 262,
 &end
#
#    0 AMB  25-2:2451    17 LEU  HB-         4.50    (#   2451:25  Single Ambig)
 &rst
  ixpk= 2451, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 212, 259,
 igr2= 261, 262,
 &end
#
#   17 LEU  MDY          17 LEU  HB-         5.50    (#   2453:25  Unique         2.40, 3.31 A)
 &rst
  ixpk= 2453, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 266, 267, 268, 270, 271, 272,
 igr2= 261, 262,
 &end
#
#    0 AMB  25-2:2454    17 LEU  HB-         3.50    (#   2454:25  Single Ambig)
 &rst
  ixpk= 2454, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 788, 789, 790, 792, 793, 794, 264, 354, 355, 356,
       358, 359, 360,
 igr2= 261, 262,
 &end
#
#   17 LEU  MDX          17 LEU  HB-         3.50    (#   2455:25  Unique         2.40, 3.31 A)
 &rst
  ixpk= 2455, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 266, 267, 268, 270, 271, 272,
 igr2= 261, 262,
 &end
#
#   24 VAL  HB           79 PHE  HB+         5.50    (#   2456:25  Unique         2.25, 2.98 A)
 &rst
  ixpk= 2456, nxpk= 25, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1193,1194,
 &end
#
#    0 AMB  25-2:2457    28 LYS  HE-         4.50    (#   2457:25  Single Ambig)
 &rst
  ixpk= 2457, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 421, 422, 817, 818,
 igr2= 424, 425,
 &end
#
#    0 AMB  25-2:2458    28 LYS  HE-         3.50    (#   2458:25  Single Ambig)
 &rst
  ixpk= 2458, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1135,1136,1137,1139,1140,1141, 822, 823, 824, 826,
       827, 828,
 igr2= 424, 425,
 &end
#
#    0 AMB  25-2:2459     0 AMB  25-1:2459   4.50    (#   2459:25  Double Ambig)
 &rst
  ixpk= 2459, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 421, 422, 817, 818,
 igr2= 424, 425, 424, 425,
 &end
#
#   28 LYS  HB-          28 LYS  HE+         5.50    (#   2460:25  Unique         2.16, 4.50 A)
 &rst
  ixpk= 2460, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 415, 416,
 igr2= 424, 425,
 &end
#
#    0 AMB  25-2:2461     0 AMB  25-1:2461   3.50    (#   2461:25  Double Ambig)
 &rst
  ixpk= 2461, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1135,1136,1137,1139,1140,1141, 822, 823, 824, 826,
       827, 828,
 igr2= 424, 425, 424, 425,
 &end
#
#   24 VAL  HB           79 PHE  HB-         5.50    (#   2462:25  Unique         2.25, 2.98 A)
 &rst
  ixpk= 2462, nxpk= 25, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1193,1194,
 &end
#
#    0 AMB  25-2:2463    79 PHE  HB-         5.50    (#   2463:25  Single Ambig)
 &rst
  ixpk= 2463, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 280, 281, 282, 354, 355, 356, 358, 359, 360,
 igr2=1193,1194,
 &end
#
#    0 AMB  25-2:2465     0 AMB  25-1:2465   5.50    (#   2465:25  Double Ambig)
 &rst
  ixpk= 2465, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 280, 281, 282, 354, 355, 356, 358, 359, 360,
 igr2=1193,1194,1193,1194,
 &end
#
#    0 AMB  25-2:2467     0 AMB  25-1:2467   4.50    (#   2467:25  Double Ambig)
 &rst
  ixpk= 2467, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1088,1089,1091,1092,
 igr2=1094,1095,1094,1095,
 &end
#
#   72 ARG  HG-          72 ARG  HD+         4.50    (#   2468:25  Unique         2.33, 2.73 A)
 &rst
  ixpk= 2468, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1091,1092,
 igr2=1094,1095,
 &end
#
#  100 LEU  HG          100 LEU  HB+         4.50    (#   2471:25  Unique         2.34, 2.78 A)
 &rst
  ixpk= 2471, nxpk= 25, iat=1514,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1511,1512,
 &end
#
#    0 AMB  25-2:2472     0 AMB  25-1:2472   3.50    (#   2472:25  Double Ambig)
 &rst
  ixpk= 2472, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1516,1517,1518,1520,1521,1522,1516,1517,1518,1520,
      1521,1522,
 igr2=1511,1512,1511,1512,
 &end
#
#  100 LEU  HA          100 LEU  HB+         5.50    (#   2473:25  Unique         2.48, 2.79 A)
 &rst
  ixpk= 2473, nxpk= 25, iat=1509,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1511,1512,
 &end
#
#  100 LEU  HA          100 LEU  HB-         4.50    (#   2474:25  Unique         2.48, 2.79 A)
 &rst
  ixpk= 2474, nxpk= 25, iat=1509,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1511,1512,
 &end
#
#   83 LYS  QB           83 LYS  QE          4.50    (#   2477:25  Unique         2.11, 4.01 A)
 &rst
  ixpk= 2477, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1246,1247,
 igr2=1255,1256,
 &end
#
#   83 LYS  QD           83 LYS  QE          2.50    (#   2478:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 2478, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1252,1253,
 igr2=1255,1256,
 &end
#
#   83 LYS  QG           83 LYS  QE          3.50    (#   2479:25  Unique         2.40, 3.10 A)
 &rst
  ixpk= 2479, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1249,1250,
 igr2=1255,1256,
 &end
#
#   85 ILE  MD1          83 LYS  QE          5.50    (#   2481:25  Unique         2.49, 5.70 A)
 &rst
  ixpk= 2481, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1294,1295,1296,
 igr2=1255,1256,
 &end
#
#    0 AMB  25-2:2482     0 AMB  25-1:2482   5.50    (#   2482:25  Double Ambig)
 &rst
  ixpk= 2482, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 190,  44,
 igr2= 201, 202,  55,  56,
 &end
#
#    0 AMB  25-2:2484     0 AMB  25-1:2484   2.50    (#   2484:25  Double Ambig)
 &rst
  ixpk= 2484, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1088,1089, 754, 755,1091,1092,
 igr2=1094,1095, 757, 758,
 &end
#
#    0 AMB  25-2:2485     0 AMB  25-1:2485   2.50    (#   2485:25  Double Ambig)
 &rst
  ixpk= 2485, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=1091,1092, 751, 752,
 igr2=1094,1095, 757, 758,
 &end
#
#   51 VAL  MGX          49 LYS  HE-         4.50    (#   2486:25  Unique         2.19, 4.89 A)
 &rst
  ixpk= 2486, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 757, 758,
 &end
#
#   49 LYS  HG-          49 LYS  HE+         3.50    (#   2489:25  Unique         2.42, 3.24 A)
 &rst
  ixpk= 2489, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 751, 752,
 igr2= 757, 758,
 &end
#
#   51 VAL  MGX          49 LYS  HE+         4.50    (#   2490:25  Unique         2.19, 4.89 A)
 &rst
  ixpk= 2490, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 757, 758,
 &end
#
#  103 LEU  HA          103 LEU  HB+         3.50    (#   2492:25  Unique         2.41, 2.75 A)
 &rst
  ixpk= 2492, nxpk= 25, iat=1561,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1563,1564,
 &end
#
#  103 LEU  HG          103 LEU  HB+         4.50    (#   2494:25  Unique         2.31, 2.70 A)
 &rst
  ixpk= 2494, nxpk= 25, iat=1566,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1563,1564,
 &end
#
#    0 AMB  25-2:2495     0 AMB  25-1:2495   3.50    (#   2495:25  Double Ambig)
 &rst
  ixpk= 2495, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
      1573,1574,
 igr2=1563,1564,1563,1564,
 &end
#
#    0 AMB  25-2:2496     0 AMB  25-1:2496   5.50    (#   2496:25  Double Ambig)
 &rst
  ixpk= 2496, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 903, 904,1110,1111,
 igr2= 940, 941, 997, 998,
 &end
#
#   62 LEU  MDX           0 AMB  25-1:2497   4.50    (#   2497:25  Single Ambig)
 &rst
  ixpk= 2497, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 945, 946, 947, 949, 950, 951,
 igr2= 940, 941, 997, 998,
 &end
#
#    0 AMB  25-2:2498     0 AMB  25-1:2498   3.50    (#   2498:25  Double Ambig)
 &rst
  ixpk= 2498, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1000, 987, 988, 989,
 igr2= 997, 998, 997, 998,
 &end
#
#    0 AMB  25-2:2500     0 AMB  25-1:2500   3.50    (#   2500:25  Double Ambig)
 &rst
  ixpk= 2500, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1= 943, 868, 869, 870, 872, 873, 874,
 igr2= 940, 941, 940, 941,
 &end
#
#    0 AMB  25-2:2501     0 AMB  25-1:2501   4.50    (#   2501:25  Double Ambig)
 &rst
  ixpk= 2501, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 938, 815,
 igr2= 940, 941, 940, 941,
 &end
#
#   63 GLN  HA           66 LEU  HB+         5.50    (#   2502:25  Unique         2.09, 3.22 A)
 &rst
  ixpk= 2502, nxpk= 25, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 997, 998,
 &end
#
#   66 LEU  MDX          66 LEU  HB+         4.50    (#   2503:25  Unique         2.28, 3.55 A)
 &rst
  ixpk= 2503, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 997, 998,
 &end
#
#   66 LEU  MDY           0 AMB  25-1:2504   3.50    (#   2504:25  Single Ambig)
 &rst
  ixpk= 2504, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 997, 998, 940, 941,
 &end
#
#  103 LEU  HA          103 LEU  HB-         3.50    (#   2505:25  Unique         2.41, 2.75 A)
 &rst
  ixpk= 2505, nxpk= 25, iat=1561,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1563,1564,
 &end
#
#  103 LEU  HG          103 LEU  HB-         4.50    (#   2507:25  Unique         2.31, 2.70 A)
 &rst
  ixpk= 2507, nxpk= 25, iat=1566,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1563,1564,
 &end
#
#    0 AMB  25-2:2508   103 LEU  HB-         2.50    (#   2508:25  Single Ambig)
 &rst
  ixpk= 2508, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
      1573,1574,
 igr2=1563,1564,
 &end
#
#    0 AMB  25-2:2509   103 LEU  HB-         4.50    (#   2509:25  Single Ambig)
 &rst
  ixpk= 2509, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1516,1517,1518,1520,1521,1522,1516,1517,1518,1520,
      1521,1522,1215,1216,1217,
 igr2=1563,1564,
 &end
#
#   66 LEU  MDY          66 LEU  HB-         4.50    (#   2510:25  Unique         2.28, 3.55 A)
 &rst
  ixpk= 2510, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 997, 998,
 &end
#
#   66 LEU  HA           66 LEU  HB-         4.50    (#   2511:25  Unique         2.43, 2.87 A)
 &rst
  ixpk= 2511, nxpk= 25, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 997, 998,
 &end
#
#   66 LEU  HG           66 LEU  HB-         3.50    (#   2512:25  Unique         2.32, 2.41 A)
 &rst
  ixpk= 2512, nxpk= 25, iat=1000,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 997, 998,
 &end
#
#   66 LEU  MDX          66 LEU  HB-         4.50    (#   2513:25  Unique         2.28, 3.55 A)
 &rst
  ixpk= 2513, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 997, 998,
 &end
#
#   63 GLN  HA           66 LEU  HB-         5.50    (#   2514:25  Unique         2.09, 3.22 A)
 &rst
  ixpk= 2514, nxpk= 25, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 997, 998,
 &end
#
#  100 LEU  HG          100 LEU  HB-         3.50    (#   2516:25  Unique         2.34, 2.78 A)
 &rst
  ixpk= 2516, nxpk= 25, iat=1514,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1511,1512,
 &end
#
#    0 AMB  25-2:2517     0 AMB  25-1:2517   3.50    (#   2517:25  Double Ambig)
 &rst
  ixpk= 2517, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 938,1400,
 igr2= 940, 941,1511,1512,
 &end
#
#    0 AMB  25-2:2519     0 AMB  25-1:2519   4.50    (#   2519:25  Double Ambig)
 &rst
  ixpk= 2519, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
 igr1= 945, 946, 947, 949, 950, 951,1587,1588,1589,1591,
      1592,1593,1530,1531,
 igr2= 940, 941,1511,1512,
 &end
#
#    0 AMB  25-2:2520     0 AMB  25-1:2520   2.50    (#   2520:25  Double Ambig)
 &rst
  ixpk= 2520, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 943,1516,1517,1518,1520,1521,1522, 868, 869, 870,
       872, 873, 874,
 igr2= 940, 941,1511,1512,
 &end
#
#    0 AMB  25-2:2525     0 AMB  25-1:2525   2.50    (#   2525:25  Double Ambig)
 &rst
  ixpk= 2525, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1690,1691, 198, 199,  52,  53,
 igr2=1693,1694, 201, 202,  55,  56,
 &end
#
#    0 AMB  25-2:2526     0 AMB  25-1:2526   2.50    (#   2526:25  Double Ambig)
 &rst
  ixpk= 2526, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=1687,1688,  49,  50,  49,  50,
 igr2=1693,1694,  55,  56,
 &end
#
#    0 AMB  25-2:2527    13 LYS  QE          4.50    (#   2527:25  Single Ambig)
 &rst
  ixpk= 2527, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 266, 267, 268, 270, 271, 272, 868, 869, 870, 872,
       873, 874,
 igr2= 201, 202,
 &end
#
#    0 AMB  25-2:2528    13 LYS  QE          5.50    (#   2528:25  Single Ambig)
 &rst
  ixpk= 2528, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1= 264, 868, 869, 870, 872, 873, 874,
 igr2= 201, 202,
 &end
#
#    9 ALA  HA           12 LYS  QE          5.50    (#   2529:25  Unique         2.12, 5.89 A)
 &rst
  ixpk= 2529, nxpk= 25, iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   12 LYS  HA           12 LYS  QE          5.50    (#   2530:25  Unique         4.33, 5.27 A)
 &rst
  ixpk= 2530, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 179, 180,
 &end
#
#   12 LYS  QB           12 LYS  QE          4.50    (#   2531:25  Unique         2.15, 4.35 A)
 &rst
  ixpk= 2531, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 170, 171,
 igr2= 179, 180,
 &end
#
#   12 LYS  QD           12 LYS  QE          2.50    (#   2532:25  Unique         2.35, 2.71 A)
 &rst
  ixpk= 2532, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 176, 177,
 igr2= 179, 180,
 &end
#
#   12 LYS  HG+          12 LYS  QE          3.50    (#   2533:25  Unique         2.37, 3.05 A)
 &rst
  ixpk= 2533, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 173, 174,
 igr2= 179, 180,
 &end
#
#   12 LYS  HG-          12 LYS  QE          3.50    (#   2534:25  Unique         2.37, 3.05 A)
 &rst
  ixpk= 2534, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 173, 174,
 igr2= 179, 180,
 &end
#
#   38 LYS  HD-          38 LYS  HE+         4.50    (#   2537:25  Unique         2.41, 2.76 A)
 &rst
  ixpk= 2537, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 581, 582,
 igr2= 584, 585,
 &end
#
#    0 AMB  25-2:2538     0 AMB  25-1:2538   2.50    (#   2538:25  Double Ambig)
 &rst
  ixpk= 2538, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 754, 755, 581, 582,
 igr2= 757, 758, 584, 585,
 &end
#
#    0 AMB  25-2:2539     0 AMB  25-1:2539   2.50    (#   2539:25  Double Ambig)
 &rst
  ixpk= 2539, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 266, 267, 268, 270, 271, 272, 772, 773, 774, 776,
       777, 778, 788, 789, 790, 792, 793, 794,
 igr2= 757, 758, 584, 585, 757, 758,
 &end
#
#   53 LEU  HA           53 LEU  HB+         5.50    (#   2543:25  Unique         2.49, 2.82 A)
 &rst
  ixpk= 2543, nxpk= 25, iat= 815,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 817, 818,
 &end
#
#    0 AMB  25-2:2544     0 AMB  25-1:2544   4.50    (#   2544:25  Double Ambig)
 &rst
  ixpk= 2544, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 820, 959, 960,
 igr2= 817, 818, 817, 818,
 &end
#
#    0 AMB  25-2:2545     0 AMB  25-1:2545   4.50    (#   2545:25  Double Ambig)
 &rst
  ixpk= 2545, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 822, 823, 824, 826, 827, 828,1135,1136,1137,1139,
      1140,1141,
 igr2= 817, 818, 817, 818,
 &end
#
#   53 LEU  MDX          53 LEU  HB+         5.50    (#   2546:25  Unique         2.41, 3.35 A)
 &rst
  ixpk= 2546, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2= 817, 818,
 &end
#
#   37 VAL  HA           40 LEU  QB          3.50    (#   2548:25  Unique         2.47, 2.87 A)
 &rst
  ixpk= 2548, nxpk= 25, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 614, 615,
 &end
#
#    0 AMB  25-2:2549     0 AMB  25-1:2549   3.50    (#   2549:25  Double Ambig)
 &rst
  ixpk= 2549, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 612, 815,
 igr2= 614, 615, 817, 818,
 &end
#
#    0 AMB  25-2:2550    40 LEU  QB          5.50    (#   2550:25  Single Ambig)
 &rst
  ixpk= 2550, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 597, 598,1355, 559,
 igr2= 614, 615,
 &end
#
#    0 AMB  25-2:2552     0 AMB  25-1:2552   3.50    (#   2552:25  Double Ambig)
 &rst
  ixpk= 2552, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1135,1136,1137,1139,1140,1141,1135,1136,1137,1139,
      1140,1141, 561, 562, 563, 565, 566, 567,1357,1358,
      1359,1361,1362,1363,1357,1358,1359,1361,1362,1363,
       868, 869, 870, 872, 873, 874, 633, 634,
 igr2= 817, 818, 614, 615,
 &end
#
#   40 LEU  HG           40 LEU  QB          3.50    (#   2553:25  Unique         2.58, 2.82 A)
 &rst
  ixpk= 2553, nxpk= 25, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 614, 615,
 &end
#
#   53 LEU  MDX          53 LEU  HB-         4.50    (#   2554:25  Unique         2.41, 3.35 A)
 &rst
  ixpk= 2554, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2= 817, 818,
 &end
#
#    0 AMB  25-2:2556    53 LEU  HB-         5.50    (#   2556:25  Single Ambig)
 &rst
  ixpk= 2556, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 820, 959, 960,
 igr2= 817, 818,
 &end
#
#    0 AMB  25-2:2557   103 LEU  HB-         5.50    (#   2557:25  Single Ambig)
 &rst
  ixpk= 2557, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1552,1553,1587,1588,1589,1591,1592,1593,
 igr2=1563,1564,
 &end
#
#   58 ASP  HB-          62 LEU  HB-         5.50    (#   2559:25  Unique         3.39, 5.76 A)
 &rst
  ixpk= 2559, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 893, 894,
 igr2= 940, 941,
 &end
#
#    0 AMB  25-2:2560     0 AMB  25-1:2560   5.50    (#   2560:25  Double Ambig)
 &rst
  ixpk= 2560, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 190,  44,
 igr2= 201, 202,  55,  56,
 &end
#
#  103 LEU  HA           94 LYS  HE+         7.00    (#   2562:25  Unique         6.25, 6.54 A)
 &rst
  ixpk= 2562, nxpk= 25, iat=1561,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2=1411,1412,
 &end
#
#   94 LYS  HA           94 LYS  HE+         5.50    (#   2563:25  Unique         4.28, 5.07 A)
 &rst
  ixpk= 2563, nxpk= 25, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1411,1412,
 &end
#
#   99 GLU  HB-          94 LYS  HE+         4.50    (#   2564:25  Unique         2.91, 5.29 A)
 &rst
  ixpk= 2564, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1496,1497,
 igr2=1411,1412,
 &end
#
#    0 AMB  25-2:2565     0 AMB  25-1:2565   3.50    (#   2565:25  Double Ambig)
 &rst
  ixpk= 2565, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
      1573,1574,
 igr2=1411,1412,1411,1412,
 &end
#
#   50 VAL  MGX          38 LYS  HE-         4.50    (#   2566:25  Unique         2.12, 4.67 A)
 &rst
  ixpk= 2566, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 772, 773, 774, 776, 777, 778,
 igr2= 584, 585,
 &end
#
#   38 LYS  HB+          38 LYS  HE+         5.50    (#   2567:25  Unique         2.16, 3.14 A)
 &rst
  ixpk= 2567, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 575, 576,
 igr2= 584, 585,
 &end
#
#   38 LYS  HG+          38 LYS  HE+         4.50    (#   2568:25  Unique         2.44, 3.30 A)
 &rst
  ixpk= 2568, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 578, 579,
 igr2= 584, 585,
 &end
#
#    0 AMB  25-2:2569     0 AMB  25-1:2569   5.50    (#   2569:25  Double Ambig)
 &rst
  ixpk= 2569, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1= 266, 267, 268, 270, 271, 272, 575, 576,
 igr2= 757, 758, 584, 585,
 &end
#
#   40 LEU  MDY          40 LEU  QB          3.50    (#   2570:25  Unique         2.35, 3.28 A)
 &rst
  ixpk= 2570, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2= 614, 615,
 &end
#
#   41 LEU  HA           41 LEU  HB-         5.50    (#   2571:25  Unique         2.51, 2.80 A)
 &rst
  ixpk= 2571, nxpk= 25, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 633, 634,
 &end
#
#   94 LYS  HB+          94 LYS  HE-         5.50    (#   2573:25  Unique         2.19, 3.37 A)
 &rst
  ixpk= 2573, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1402,1403,
 igr2=1411,1412,
 &end
#
#    0 AMB  25-2:2574    94 LYS  HE-         3.50    (#   2574:25  Single Ambig)
 &rst
  ixpk= 2574, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1402,1403,1408,1409,
 igr2=1411,1412,
 &end
#
#    0 AMB  25-2:2575    94 LYS  HE-         3.50    (#   2575:25  Single Ambig)
 &rst
  ixpk= 2575, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1511,1512,1343,1344,1345,
 igr2=1411,1412,
 &end
#
#    0 AMB  25-2:2576    94 LYS  HE-         4.50    (#   2576:25  Single Ambig)
 &rst
  ixpk= 2576, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1287,1288,1289,1294,1295,1296,
 igr2=1411,1412,
 &end
#
#    0 AMB  25-2:2577    94 LYS  HE-         5.50    (#   2577:25  Single Ambig)
 &rst
  ixpk= 2577, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1496,1497,1563,1564,
 igr2=1411,1412,
 &end
#
#    0 AMB  25-2:2578     0 AMB  25-1:2578   3.50    (#   2578:25  Double Ambig)
 &rst
  ixpk= 2578, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1402,1403,1408,1409,
 igr2=1411,1412,1411,1412,
 &end
#
#    0 AMB  25-2:2579     0 AMB  25-1:2579   3.50    (#   2579:25  Double Ambig)
 &rst
  ixpk= 2579, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1511,1512,1343,1344,1345,
 igr2=1411,1412,1411,1412,
 &end
#
#    0 AMB  25-2:2580     0 AMB  25-1:2580   4.50    (#   2580:25  Double Ambig)
 &rst
  ixpk= 2580, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1287,1288,1289,1294,1295,1296,
 igr2=1411,1412,1411,1412,
 &end
#
#    0 AMB  25-2:2581     0 AMB  25-1:2581   5.50    (#   2581:25  Double Ambig)
 &rst
  ixpk= 2581, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1496,1497,1563,1564,
 igr2=1411,1412,1411,1412,
 &end
#
#   94 LYS  HB+          94 LYS  HE+         5.50    (#   2582:25  Unique         2.19, 3.37 A)
 &rst
  ixpk= 2582, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1402,1403,
 igr2=1411,1412,
 &end
#
#  104 LEU  MDY         104 LEU  HB+         4.50    (#   2583:25  Unique         2.42, 3.29 A)
 &rst
  ixpk= 2583, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1587,1588,1589,1591,1592,1593,
 igr2=1582,1583,
 &end
#
#    0 AMB  25-2:2585     0 AMB  25-1:2585   3.50    (#   2585:25  Double Ambig)
 &rst
  ixpk= 2585, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1587,1588,1589,1591,1592,1593,1585,
 igr2=1582,1583,1582,1583,
 &end
#
#  104 LEU  HA          104 LEU  HB+         5.50    (#   2586:25  Unique         2.55, 2.81 A)
 &rst
  ixpk= 2586, nxpk= 25, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1582,1583,
 &end
#
#    0 AMB  25-2:2587     0 AMB  25-1:2587   5.50    (#   2587:25  Double Ambig)
 &rst
  ixpk= 2587, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1662,1663,1664,1535,1536,1537,1539,1540,1541,
 igr2=1582,1583,1582,1583,
 &end
#
#    8 ASP  HA           11 LEU  QB          3.50    (#   2588:25  Unique         2.24, 2.92 A)
 &rst
  ixpk= 2588, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 151, 152,
 &end
#
#   11 LEU  HA           11 LEU  QB          3.50    (#   2589:25  Unique         2.32, 2.71 A)
 &rst
  ixpk= 2589, nxpk= 25, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 151, 152,
 &end
#
#    0 AMB  25-2:2590     0 AMB  25-1:2590   5.50    (#   2590:25  Double Ambig)
 &rst
  ixpk= 2590, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 119, 120, 119, 120,
 igr2= 100, 101, 151, 152,
 &end
#
#    0 AMB  25-2:2591     0 AMB  25-1:2591   5.50    (#   2591:25  Double Ambig)
 &rst
  ixpk= 2591, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 119, 120, 926, 927,
 igr2= 100, 101, 151, 152,
 &end
#
#    0 AMB  25-2:2592     0 AMB  25-1:2592   2.50    (#   2592:25  Double Ambig)
 &rst
  ixpk= 2592, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 154,  49,  50,
 igr2= 151, 152, 100, 101,
 &end
#
#   11 LEU  MDX          11 LEU  QB          2.50    (#   2593:25  Unique         2.30, 3.31 A)
 &rst
  ixpk= 2593, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 156, 157, 158, 160, 161, 162,
 igr2= 151, 152,
 &end
#
#  104 LEU  HA          104 LEU  HB-         4.50    (#   2594:25  Unique         2.55, 2.81 A)
 &rst
  ixpk= 2594, nxpk= 25, iat=1580,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1582,1583,
 &end
#
#  104 LEU  MDY         104 LEU  HB-         4.50    (#   2596:25  Unique         2.42, 3.29 A)
 &rst
  ixpk= 2596, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1587,1588,1589,1591,1592,1593,
 igr2=1582,1583,
 &end
#
#    0 AMB  25-2:2597   104 LEU  HB-         3.50    (#   2597:25  Single Ambig)
 &rst
  ixpk= 2597, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1587,1588,1589,1591,1592,1593,1585,
 igr2=1582,1583,
 &end
#
#  101 LEU  HA          104 LEU  HB-         5.50    (#   2598:25  Unique         2.37, 3.34 A)
 &rst
  ixpk= 2598, nxpk= 25, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1582,1583,
 &end
#
#  110 THR  MG2         104 LEU  HB-         5.50    (#   2599:25  Unique         2.22, 3.48 A)
 &rst
  ixpk= 2599, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1662,1663,1664,
 igr2=1582,1583,
 &end
#
#   41 LEU  HA           41 LEU  HB+         5.50    (#   2600:25  Unique         2.51, 2.80 A)
 &rst
  ixpk= 2600, nxpk= 25, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 633, 634,
 &end
#
#   41 LEU  MDY          41 LEU  HB+         4.50    (#   2602:25  Unique         2.31, 3.33 A)
 &rst
  ixpk= 2602, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 633, 634,
 &end
#
#   41 LEU  HG           41 LEU  HB-         5.50    (#   2604:25  Unique         2.30, 2.77 A)
 &rst
  ixpk= 2604, nxpk= 25, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 633, 634,
 &end
#
#   41 LEU  MDX          41 LEU  HB-         5.50    (#   2605:25  Unique         2.31, 3.33 A)
 &rst
  ixpk= 2605, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 633, 634,
 &end
#
#   41 LEU  MDY          41 LEU  HB-         4.50    (#   2606:25  Unique         2.31, 3.33 A)
 &rst
  ixpk= 2606, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 633, 634,
 &end
#
#    0 AMB  25-2:2608    15 LYS  HE-         3.50    (#   2608:25  Single Ambig)
 &rst
  ixpk= 2608, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 224, 225, 154,
 igr2= 233, 234,
 &end
#
#   15 LYS  QD           15 LYS  HE-         3.50    (#   2609:25  Unique         2.46, 2.77 A)
 &rst
  ixpk= 2609, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 230, 231,
 igr2= 233, 234,
 &end
#
#   11 LEU  MDX          15 LYS  HE-         3.50    (#   2610:25  Unique         2.12, 4.31 A)
 &rst
  ixpk= 2610, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 156, 157, 158, 160, 161, 162,
 igr2= 233, 234,
 &end
#
#   11 LEU  MDY          15 LYS  HE-         3.50    (#   2611:25  Unique         2.12, 4.31 A)
 &rst
  ixpk= 2611, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 156, 157, 158, 160, 161, 162,
 igr2= 233, 234,
 &end
#
#   15 LYS  HG-          15 LYS  HE-         4.50    (#   2612:25  Unique         2.38, 2.79 A)
 &rst
  ixpk= 2612, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 227, 228,
 igr2= 233, 234,
 &end
#
#   15 LYS  HG+          15 LYS  HE-         4.50    (#   2613:25  Unique         2.38, 2.79 A)
 &rst
  ixpk= 2613, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 227, 228,
 igr2= 233, 234,
 &end
#
#    7 LEU  HA            7 LEU  QB          2.50    (#   2614:25  Unique         2.41, 2.77 A)
 &rst
  ixpk= 2614, nxpk= 25, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 100, 101,
 &end
#
#   12 LYS  HA           11 LEU  QB          5.50    (#   2615:25  Unique         4.38, 5.16 A)
 &rst
  ixpk= 2615, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 151, 152,
 &end
#
#    0 AMB  25-2:2616     0 AMB  25-1:2616   2.50    (#   2616:25  Double Ambig)
 &rst
  ixpk= 2616, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 156, 157, 158, 160, 161, 162,1215,1216,1217,
 igr2= 233, 234,1213,
 &end
#
#    0 AMB  25-2:2617     0 AMB  25-1:2617   5.50    (#   2617:25  Double Ambig)
 &rst
  ixpk= 2617, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 168, 222,
 igr2= 233, 234, 233, 234,
 &end
#
#    0 AMB  25-2:2619     0 AMB  25-1:2619   2.50    (#   2619:25  Double Ambig)
 &rst
  ixpk= 2619, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1291,1292, 230, 231,
 igr2=1213, 233, 234,
 &end
#
#   15 LYS  HG+          15 LYS  HE+         4.50    (#   2620:25  Unique         2.38, 2.79 A)
 &rst
  ixpk= 2620, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 227, 228,
 igr2= 233, 234,
 &end
#
#   85 ILE  HA           85 ILE  MD1         2.50    (#   2621:25  Unique         2.25, 3.04 A)
 &rst
  ixpk= 2621, nxpk= 25, iat=1283,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1294,1295,1296,
 &end
#
#    0 AMB  25-2:2622    85 ILE  MD1         4.50    (#   2622:25  Single Ambig)
 &rst
  ixpk= 2622, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1411,1412,1411,1412,1266,
 igr2=1294,1295,1296,
 &end
#
#  103 LEU  HB+          85 ILE  MD1         5.50    (#   2623:25  Unique         4.54, 6.40 A)
 &rst
  ixpk= 2623, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1563,1564,
 igr2=1294,1295,1296,
 &end
#
#   83 LYS  QB           85 ILE  MD1         4.50    (#   2624:25  Unique         3.03, 4.91 A)
 &rst
  ixpk= 2624, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1246,1247,
 igr2=1294,1295,1296,
 &end
#
#    0 AMB  25-2:2625    85 ILE  MD1         2.50    (#   2625:25  Single Ambig)
 &rst
  ixpk= 2625, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1291,1292,1285,1252,1253,
 igr2=1294,1295,1296,
 &end
#
#    0 AMB  25-2:2626    85 ILE  MD1         5.50    (#   2626:25  Single Ambig)
 &rst
  ixpk= 2626, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1=1268,1269,1343,1344,1345,
 igr2=1294,1295,1296,
 &end
#
#   85 ILE  HG1+         85 ILE  MD1         3.50    (#   2627:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 2627, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1291,1292,
 igr2=1294,1295,1296,
 &end
#
#    0 AMB  25-2:2628    85 ILE  MD1         3.50    (#   2628:25  Single Ambig)
 &rst
  ixpk= 2628, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
      1573,1574,
 igr2=1294,1295,1296,
 &end
#
#   80 ILE  MG2          85 ILE  MD1         3.50    (#   2629:25  Unique         4.04, 5.55 A)
 &rst
  ixpk= 2629, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1215,1216,1217,
 igr2=1294,1295,1296,
 &end
#
#  105 GLN  HB+         106 ASP  HB-         5.50    (#   2631:25  Unique         4.29, 5.07 A)
 &rst
  ixpk= 2631, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1601,1602,
 igr2=1618,1619,
 &end
#
#    0 AMB  25-2:2634     0 AMB  25-1:2634   5.50    (#   2634:25  Double Ambig)
 &rst
  ixpk= 2634, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1= 338, 339, 340, 342, 343, 344, 633, 634,
 igr2= 727, 728, 727, 728,
 &end
#
#   23 VAL  HB           48 TYR  HB+         5.50    (#   2635:25  Unique         2.27, 2.52 A)
 &rst
  ixpk= 2635, nxpk= 25, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 727, 728,
 &end
#
#   23 VAL  MGX          48 TYR  HB+         5.50    (#   2636:25  Unique         2.42, 4.04 A)
 &rst
  ixpk= 2636, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2= 727, 728,
 &end
#
#    0 AMB  25-2:2638    48 TYR  HB-         5.50    (#   2638:25  Single Ambig)
 &rst
  ixpk= 2638, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 338, 339, 340, 342, 343, 344, 633, 634,
 igr2= 727, 728,
 &end
#
#   23 VAL  HB           48 TYR  HB-         4.50    (#   2640:25  Unique         2.27, 2.52 A)
 &rst
  ixpk= 2640, nxpk= 25, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 727, 728,
 &end
#
#    0 AMB  25-2:2642     0 AMB  25-1:2642   5.50    (#   2642:25  Double Ambig)
 &rst
  ixpk= 2642, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1552,1553,1604,1605,
 igr2=1618,1619,1618,1619,
 &end
#
#  103 LEU  HA          106 ASP  HB+         4.50    (#   2643:25  Unique         2.36, 3.08 A)
 &rst
  ixpk= 2643, nxpk= 25, iat=1561,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1618,1619,
 &end
#
#    0 AMB  25-2:2645     0 AMB  25-1:2645   4.50    (#   2645:25  Double Ambig)
 &rst
  ixpk= 2645, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=  49,  50,1630,1631,1632, 131, 132, 133,1563,1564,
      
 igr2= 119, 120,1618,1619, 119, 120,
 &end
#
#  105 GLN  HB-         106 ASP  HB-         5.50    (#   2646:25  Unique         4.29, 5.07 A)
 &rst
  ixpk= 2646, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1601,1602,
 igr2=1618,1619,
 &end
#
#    0 AMB  25-2:2648     0 AMB  25-1:2648   3.50    (#   2648:25  Double Ambig)
 &rst
  ixpk= 2648, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  66,1561,
 igr2= 119, 120,1618,1619,
 &end
#
#    0 AMB  25-2:2649     0 AMB  25-1:2649   4.50    (#   2649:25  Double Ambig)
 &rst
  ixpk= 2649, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=  52,  53, 100, 101, 151, 152,
 igr2= 119, 120, 119, 120, 119, 120,
 &end
#
#    0 AMB  25-2:2650     0 AMB  25-1:2650   3.50    (#   2650:25  Double Ambig)
 &rst
  ixpk= 2650, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 117,1131,
 igr2= 119, 120,1163,1164,
 &end
#
#    8 ASP  HA            8 ASP  HB-         3.50    (#   2651:25  Unique         2.41, 2.74 A)
 &rst
  ixpk= 2651, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 119, 120,
 &end
#
#    5 GLN  HA            8 ASP  HB-         3.50    (#   2652:25  Unique         2.27, 3.11 A)
 &rst
  ixpk= 2652, nxpk= 25, iat=  66,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 119, 120,
 &end
#
#    0 AMB  25-2:2653     8 ASP  HB-         4.50    (#   2653:25  Single Ambig)
 &rst
  ixpk= 2653, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  52,  53, 100, 101, 151, 152,
 igr2= 119, 120,
 &end
#
#    0 AMB  25-2:2654     8 ASP  HB-         4.50    (#   2654:25  Single Ambig)
 &rst
  ixpk= 2654, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  49,  50, 131, 132, 133,
 igr2= 119, 120,
 &end
#
#   71 GLY  HA+          70 THR  HB          5.50    (#   2655:25  Unique         5.09, 5.47 A)
 &rst
  ixpk= 2655, nxpk= 25, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1079,1080,
 &end
#
#   70 THR  MG2          70 THR  HB          3.50    (#   2656:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 2656, nxpk= 25, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1069,1070,1071,
 &end
#
#   74 THR  MG2          74 THR  HB          2.50    (#   2658:25  Unique         2.41, 2.66 A)
 &rst
  ixpk= 2658, nxpk= 25, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1121,1122,1123,
 &end
#
#   75 VAL  MGX          74 THR  HB          5.50    (#   2659:25  Unique         4.44, 5.86 A)
 &rst
  ixpk= 2659, nxpk= 25, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1135,1136,1137,1139,1140,1141,
 &end
#
#   66 LEU  MDY          26 PHE  HB+         5.50    (#   2660:25  Unique         3.31, 4.90 A)
 &rst
  ixpk= 2660, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 384, 385,
 &end
#
#    0 AMB  25-2:2661     0 AMB  25-1:2661   4.50    (#   2661:25  Double Ambig)
 &rst
  ixpk= 2661, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
 igr1=1135,1136,1137,1139,1140,1141,1135,1136,1137,1139,
      1140,1141, 945, 946, 947, 949, 950, 951,
 igr2= 384, 385, 384, 385, 384, 385,
 &end
#
#    0 AMB  25-2:2664     0 AMB  25-1:2664   4.50    (#   2664:25  Double Ambig)
 &rst
  ixpk= 2664, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 822, 823, 824, 826, 827, 828,1766,1767,1768,1770,
      1771,1772,
 igr2= 384, 385,1706,1707,
 &end
#
#   66 LEU  MDY          26 PHE  HB-         5.50    (#   2665:25  Unique         3.31, 4.90 A)
 &rst
  ixpk= 2665, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 384, 385,
 &end
#
#  114 PRO  HD+         113 ASN  HB-         5.50    (#   2668:25  Unique         2.20, 4.62 A)
 &rst
  ixpk= 2668, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1717,1718,
 igr2=1706,1707,
 &end
#
#    0 AMB  25-2:2670     0 AMB  25-1:2670   3.50    (#   2670:25  Double Ambig)
 &rst
  ixpk= 2670, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1638,1327,
 igr2=1706,1707,1329,1330,
 &end
#
#  114 PRO  HD+         113 ASN  HB+         5.50    (#   2671:25  Unique         2.20, 4.62 A)
 &rst
  ixpk= 2671, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1717,1718,
 igr2=1706,1707,
 &end
#
#  105 GLN  HB+         113 ASN  HB+         5.50    (#   2673:25  Unique         2.19, 5.12 A)
 &rst
  ixpk= 2673, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1601,1602,
 igr2=1706,1707,
 &end
#
#   92 VAL  MGY          89 ASP  HB+         5.50    (#   2674:25  Unique         4.53, 7.07 A)
 &rst
  ixpk= 2674, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1373,1374,1375,1377,1378,1379,
 igr2=1329,1330,
 &end
#
#   28 LYS  QG           54 ASP  HB-         5.50    (#   2675:25  Unique         2.27, 4.21 A)
 &rst
  ixpk= 2675, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 418, 419,
 igr2= 836, 837,
 &end
#
#   89 ASP  HA           89 ASP  HB-         3.50    (#   2678:25  Unique         2.44, 2.75 A)
 &rst
  ixpk= 2678, nxpk= 25, iat=1327,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1329,1330,
 &end
#
#    0 AMB  25-2:2679    89 ASP  HB-         5.50    (#   2679:25  Single Ambig)
 &rst
  ixpk= 2679, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1371,1387,1388,
 igr2=1329,1330,
 &end
#
#  102 PRO  HG+         101 LEU  QB          5.50    (#   2680:25  Unique         4.06, 5.15 A)
 &rst
  ixpk= 2680, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1549,1550,
 igr2=1530,1531,
 &end
#
#  102 PRO  HD+         101 LEU  QB          3.50    (#   2681:25  Unique         2.07, 3.15 A)
 &rst
  ixpk= 2681, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1546,1547,
 igr2=1530,1531,
 &end
#
#    0 AMB  25-2:2682   101 LEU  QB          4.50    (#   2682:25  Single Ambig)
 &rst
  ixpk= 2682, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1549,1550,1582,1583,
 igr2=1530,1531,
 &end
#
#  101 LEU  MDX         101 LEU  QB          2.50    (#   2683:25  Unique         2.39, 3.41 A)
 &rst
  ixpk= 2683, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1535,1536,1537,1539,1540,1541,
 igr2=1530,1531,
 &end
#
#  101 LEU  HA          101 LEU  QB          3.50    (#   2684:25  Unique         2.38, 2.78 A)
 &rst
  ixpk= 2684, nxpk= 25, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1530,1531,
 &end
#
#  102 PRO  HD-         101 LEU  QB          3.50    (#   2685:25  Unique         2.07, 3.15 A)
 &rst
  ixpk= 2685, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1546,1547,
 igr2=1530,1531,
 &end
#
#    0 AMB  25-2:2686   101 LEU  QB          5.50    (#   2686:25  Single Ambig)
 &rst
  ixpk= 2686, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1604,1605, 683,1552,1553,
 igr2=1530,1531,
 &end
#
#    0 AMB  25-2:2687   101 LEU  QB          4.50    (#   2687:25  Single Ambig)
 &rst
  ixpk= 2687, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1587,1588,1589,1591,1592,1593,1516,1517,1518,1520,
      1521,1522,
 igr2=1530,1531,
 &end
#
#   61 GLN  HB+          58 ASP  HB-         4.50    (#   2688:25  Unique         2.35, 5.26 A)
 &rst
  ixpk= 2688, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 923, 924,
 igr2= 893, 894,
 &end
#
#   29 THR  MG2          29 THR  HB          2.50    (#   2692:25  Unique         2.42, 2.66 A)
 &rst
  ixpk= 2692, nxpk= 25, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 439, 440, 441,
 &end
#
#   29 THR  HA           29 THR  HB          3.50    (#   2693:25  Unique         2.61, 2.64 A)
 &rst
  ixpk= 2693, nxpk= 25, iat= 435, 437, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 TYR  HA           33 TYR  HB+         5.50    (#   2694:25  Unique         2.48, 2.77 A)
 &rst
  ixpk= 2694, nxpk= 25, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 489, 490,
 &end
#
#  109 ALA  MB          110 THR  HB          5.50    (#   2699:25  Unique         4.13, 6.07 A)
 &rst
  ixpk= 2699, nxpk= 25, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1650,1651,1652,
 &end
#
#  110 THR  MG2         110 THR  HB          2.50    (#   2700:25  Unique         2.35, 2.65 A)
 &rst
  ixpk= 2700, nxpk= 25, iat=  -1,1660, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1662,1663,1664,
 &end
#
#   35 ASN  HA           35 ASN  HB+         3.50    (#   2701:25  Unique         2.25, 2.71 A)
 &rst
  ixpk= 2701, nxpk= 25, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 521, 522,
 &end
#
#   32 GLY  QA           35 ASN  HB+         3.50    (#   2702:25  Unique         2.32, 3.93 A)
 &rst
  ixpk= 2702, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 480, 481,
 igr2= 521, 522,
 &end
#
#   35 ASN  HA           35 ASN  HB-         3.50    (#   2703:25  Unique         2.25, 2.71 A)
 &rst
  ixpk= 2703, nxpk= 25, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 521, 522,
 &end
#
#   32 GLY  QA           35 ASN  HB-         3.50    (#   2704:25  Unique         2.32, 3.93 A)
 &rst
  ixpk= 2704, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 480, 481,
 igr2= 521, 522,
 &end
#
#   28 LYS  QG           28 LYS  HB-         4.50    (#   2705:25  Unique         2.37, 2.75 A)
 &rst
  ixpk= 2705, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 418, 419,
 igr2= 415, 416,
 &end
#
#   39 GLN  HA           42 THR  HB          3.50    (#   2706:25  Unique         2.25, 2.36 A)
 &rst
  ixpk= 2706, nxpk= 25, iat= 595, 652, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:2707    42 THR  HB          5.50    (#   2707:25  Single Ambig)
 &rst
  ixpk= 2707, nxpk= 25, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 669, 670, 600, 601,
 &end
#
#    0 AMB  25-2:2708    42 THR  HB          5.50    (#   2708:25  Single Ambig)
 &rst
  ixpk= 2708, nxpk= 25, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 597, 598, 575, 576,
 &end
#
#   42 THR  MG2          42 THR  HB          2.50    (#   2709:25  Unique         2.42, 2.66 A)
 &rst
  ixpk= 2709, nxpk= 25, iat=  -1, 652, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 654, 655, 656,
 &end
#
#    6 GLU  HB+           6 GLU  HG+         2.50    (#   2710:25  Unique         2.25, 2.75 A)
 &rst
  ixpk= 2710, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=  85,  86,
 igr2=  88,  89,
 &end
#
#    6 GLU  HA            6 GLU  HG+         2.50    (#   2711:25  Unique         2.37, 2.81 A)
 &rst
  ixpk= 2711, nxpk= 25, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=  88,  89,
 &end
#
#    9 ALA  MB            6 GLU  HG+         4.50    (#   2712:25  Unique         3.62, 5.70 A)
 &rst
  ixpk= 2712, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 131, 132, 133,
 igr2=  88,  89,
 &end
#
#    0 AMB  25-2:2713     0 AMB  25-1:2713   2.50    (#   2713:25  Double Ambig)
 &rst
  ixpk= 2713, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=  85,  86,  68,  69,
 igr2=  88,  89,  88,  89,
 &end
#
#   85 ILE  HA           85 ILE  HB          4.50    (#   2714:25  Unique         3.00, 3.04 A)
 &rst
  ixpk= 2714, nxpk= 25, iat=1283,1285, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 VAL  HB           85 ILE  HB          5.50    (#   2715:25  Unique         2.83, 3.04 A)
 &rst
  ixpk= 2715, nxpk= 25, iat=1177,1285, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:2716    85 ILE  HB          2.50    (#   2716:25  Single Ambig)
 &rst
  ixpk= 2716, nxpk= 25, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1287,1288,1289,1294,1295,1296,
 &end
#
#   85 ILE  HG1+         85 ILE  HB          3.50    (#   2717:25  Unique         2.38, 2.44 A)
 &rst
  ixpk= 2717, nxpk= 25, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1291,1292,
 &end
#
#   90 THR  MG2          90 THR  HB          3.50    (#   2719:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 2719, nxpk= 25, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1343,1344,1345,
 &end
#
#   86 GLY  HA-          90 THR  HB          5.50    (#   2720:25  Unique         2.55, 3.56 A)
 &rst
  ixpk= 2720, nxpk= 25, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1302,1303,
 &end
#
#    0 AMB  25-2:2721    90 THR  HB          5.50    (#   2721:25  Single Ambig)
 &rst
  ixpk= 2721, nxpk= 25, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   85 ILE  MG2          90 THR  HB          5.50    (#   2722:25  Unique         3.19, 4.46 A)
 &rst
  ixpk= 2722, nxpk= 25, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1287,1288,1289,
 &end
#
#   97 ARG  QD           93 GLU  HG+         4.50    (#   2724:25  Unique         2.13, 4.26 A)
 &rst
  ixpk= 2724, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1464,1465,
 igr2=1390,1391,
 &end
#
#    0 AMB  25-2:2725    93 GLU  HG-         5.50    (#   2725:25  Single Ambig)
 &rst
  ixpk= 2725, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1402,1403,1408,1409,
 igr2=1390,1391,
 &end
#
#   93 GLU  HA           93 GLU  HG-         3.50    (#   2727:25  Unique         2.36, 2.96 A)
 &rst
  ixpk= 2727, nxpk= 25, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1390,1391,
 &end
#
#    0 AMB  25-2:2729     0 AMB  25-1:2729   5.50    (#   2729:25  Double Ambig)
 &rst
  ixpk= 2729, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 170, 171, 192, 193,
 igr2= 249, 250, 249, 250,
 &end
#
#    0 AMB  25-2:2730     0 AMB  25-1:2730   4.50    (#   2730:25  Double Ambig)
 &rst
  ixpk= 2730, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 173, 174, 224, 225,
 igr2= 249, 250, 249, 250,
 &end
#
#   12 LYS  HG-          16 GLU  HG-         5.50    (#   2731:25  Unique         3.00, 6.18 A)
 &rst
  ixpk= 2731, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 173, 174,
 igr2= 249, 250,
 &end
#
#   16 GLU  HA           16 GLU  HG-         3.50    (#   2732:25  Unique         2.37, 3.12 A)
 &rst
  ixpk= 2732, nxpk= 25, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 249, 250,
 &end
#
#   97 ARG  HG-          93 GLU  HG+         5.50    (#   2734:25  Unique         2.72, 4.34 A)
 &rst
  ixpk= 2734, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1461,1462,
 igr2=1390,1391,
 &end
#
#    0 AMB  25-2:2735    16 GLU  HG-         5.50    (#   2735:25  Single Ambig)
 &rst
  ixpk= 2735, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 173, 174, 224, 225,
 igr2= 249, 250,
 &end
#
#    0 AMB  25-2:2736     0 AMB  25-1:2736   4.50    (#   2736:25  Double Ambig)
 &rst
  ixpk= 2736, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1461,1462,1405,1406,
 igr2=1390,1391,1390,1391,
 &end
#
#   17 LEU  HG           16 GLU  HG-         5.50    (#   2737:25  Unique         4.19, 5.50 A)
 &rst
  ixpk= 2737, nxpk= 25, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 249, 250,
 &end
#
#   96 GLN  HG+          93 GLU  HG-         5.50    (#   2738:25  Unique         3.94, 6.42 A)
 &rst
  ixpk= 2738, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1444,1445,
 igr2=1390,1391,
 &end
#
#   97 ARG  QD           93 GLU  HG-         5.50    (#   2739:25  Unique         2.13, 4.26 A)
 &rst
  ixpk= 2739, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1464,1465,
 igr2=1390,1391,
 &end
#
#    0 AMB  25-2:2740     0 AMB  25-1:2740   4.50    (#   2740:25  Double Ambig)
 &rst
  ixpk= 2740, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 190, 290, 291,
 igr2= 249, 250, 249, 250,
 &end
#
#   17 LEU  MDX          16 GLU  HG+         5.50    (#   2741:25  Unique         4.73, 7.53 A)
 &rst
  ixpk= 2741, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 266, 267, 268, 270, 271, 272,
 igr2= 249, 250,
 &end
#
#   16 GLU  HA           16 GLU  HG+         3.50    (#   2742:25  Unique         2.37, 3.12 A)
 &rst
  ixpk= 2742, nxpk= 25, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 249, 250,
 &end
#
#   99 GLU  HA           99 GLU  QG          3.50    (#   2744:25  Unique         2.49, 2.82 A)
 &rst
  ixpk= 2744, nxpk= 25, iat=1494,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1499,1500,
 &end
#
#   99 GLU  HB-          99 GLU  QG          2.50    (#   2745:25  Unique         2.34, 2.76 A)
 &rst
  ixpk= 2745, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1496,1497,
 igr2=1499,1500,
 &end
#
#    0 AMB  25-2:2746    99 GLU  QG          4.50    (#   2746:25  Single Ambig)
 &rst
  ixpk= 2746, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1458,1459,1405,1406,
 igr2=1499,1500,
 &end
#
#   94 LYS  QG           91 VAL  HA          5.50    (#   2747:25  Unique         3.78, 4.53 A)
 &rst
  ixpk= 2747, nxpk= 25, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1405,1406,
 &end
#
#    0 AMB  25-2:2748    91 VAL  HA          5.50    (#   2748:25  Single Ambig)
 &rst
  ixpk= 2748, nxpk= 25, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1373,1374,1375,1377,1378,1379,1373,1374,1375,1377,
      1378,1379,1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  25-2:2749    91 VAL  HA          5.50    (#   2749:25  Single Ambig)
 &rst
  ixpk= 2749, nxpk= 25, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1402,1403,1408,1409,
 &end
#
#   18 ALA  HA           24 VAL  HB          4.50    (#   2750:25  Unique         2.52, 2.60 A)
 &rst
  ixpk= 2750, nxpk= 25, iat= 278, 352, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 PHE  HB+          24 VAL  HB          4.50    (#   2751:25  Unique         2.25, 2.98 A)
 &rst
  ixpk= 2751, nxpk= 25, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1193,1194,
 &end
#
#   79 PHE  HB-          24 VAL  HB          5.50    (#   2752:25  Unique         2.25, 2.98 A)
 &rst
  ixpk= 2752, nxpk= 25, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#   24 VAL  MGY          24 VAL  HB          2.50    (#   2753:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 2753, nxpk= 25, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   24 VAL  MGX          24 VAL  HB          3.50    (#   2754:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 2754, nxpk= 25, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   24 VAL  MGX          49 LYS  HB+         5.50    (#   2755:25  Unique         2.24, 4.42 A)
 &rst
  ixpk= 2755, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 354, 355, 356, 358, 359, 360,
 igr2= 748, 749,
 &end
#
#   91 VAL  HB           91 VAL  HA          3.50    (#   2756:25  Unique         2.44, 2.47 A)
 &rst
  ixpk= 2756, nxpk= 25, iat=1355,1353, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:2757    91 VAL  HA          4.50    (#   2757:25  Single Ambig)
 &rst
  ixpk= 2757, nxpk= 25, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1287,1288,1289, 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:2758    91 VAL  HA          5.50    (#   2758:25  Single Ambig)
 &rst
  ixpk= 2758, nxpk= 25, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1511,1512,1343,1344,1345,
 &end
#
#    0 AMB  25-2:2759    91 VAL  HA          2.50    (#   2759:25  Single Ambig)
 &rst
  ixpk= 2759, nxpk= 25, iat=  -1,1353, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,1516,1517,1518,1520,1521,1522,
 &end
#
#   49 LYS  QD           49 LYS  HB+         3.50    (#   2761:25  Unique         2.37, 2.85 A)
 &rst
  ixpk= 2761, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 754, 755,
 igr2= 748, 749,
 &end
#
#    0 AMB  25-2:2762     0 AMB  25-1:2762   3.50    (#   2762:25  Double Ambig)
 &rst
  ixpk= 2762, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 751, 752, 312, 313, 314,
 igr2= 748, 749, 748, 749,
 &end
#
#   49 LYS  HG+          49 LYS  HB+         3.50    (#   2763:25  Unique         2.22, 2.74 A)
 &rst
  ixpk= 2763, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 751, 752,
 igr2= 748, 749,
 &end
#
#   49 LYS  QD           49 LYS  HB-         3.50    (#   2765:25  Unique         2.37, 2.85 A)
 &rst
  ixpk= 2765, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 754, 755,
 igr2= 748, 749,
 &end
#
#    0 AMB  25-2:2766    49 LYS  HB-         3.50    (#   2766:25  Single Ambig)
 &rst
  ixpk= 2766, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 751, 752, 312, 313, 314,
 igr2= 748, 749,
 &end
#
#    0 AMB  25-2:2767    49 LYS  HB-         4.50    (#   2767:25  Single Ambig)
 &rst
  ixpk= 2767, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 751, 752, 354, 355, 356, 358, 359, 360,
 igr2= 748, 749,
 &end
#
#    0 AMB  25-2:2768     0 AMB  25-1:2768   5.50    (#   2768:25  Double Ambig)
 &rst
  ixpk= 2768, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 508,1146,1147,
 igr2=1152,1153,1152,1153,
 &end
#
#    0 AMB  25-2:2770     0 AMB  25-1:2770   4.50    (#   2770:25  Double Ambig)
 &rst
  ixpk= 2770, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 370, 371, 372, 374, 375, 376, 561, 562, 563, 565,
       566, 567,
 igr2=1152,1153,1152,1153,
 &end
#
#   37 VAL  MGX          76 PRO  HB-         3.50    (#   2772:25  Unique         2.68, 4.58 A)
 &rst
  ixpk= 2772, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 561, 562, 563, 565, 566, 567,
 igr2=1152,1153,
 &end
#
#    0 AMB  25-2:2773    76 PRO  HB-         5.50    (#   2773:25  Single Ambig)
 &rst
  ixpk= 2773, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 508,1146,1147,
 igr2=1152,1153,
 &end
#
#   45 GLY  HA+          42 THR  HA          5.50    (#   2774:25  Unique         3.27, 4.48 A)
 &rst
  ixpk= 2774, nxpk= 25, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 697, 698,
 &end
#
#   39 GLN  HA           42 THR  HA          5.50    (#   2775:25  Unique         5.04, 5.14 A)
 &rst
  ixpk= 2775, nxpk= 25, iat= 595, 650, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 THR  MG2          42 THR  HA          2.50    (#   2776:25  Unique         2.54, 3.18 A)
 &rst
  ixpk= 2776, nxpk= 25, iat=  -1, 650, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 654, 655, 656,
 &end
#
#   95 HIS  HB+          92 VAL  HA          4.50    (#   2777:25  Unique         2.53, 3.10 A)
 &rst
  ixpk= 2777, nxpk= 25, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1424,1425,
 &end
#
#   92 VAL  HB           92 VAL  HA          4.50    (#   2778:25  Unique         2.42, 2.98 A)
 &rst
  ixpk= 2778, nxpk= 25, iat=1371,1369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92 VAL  MGY          92 VAL  HA          2.50    (#   2779:25  Unique         2.47, 3.21 A)
 &rst
  ixpk= 2779, nxpk= 25, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1373,1374,1375,1377,1378,1379,
 &end
#
#    0 AMB  25-2:2780    92 VAL  HA          4.50    (#   2780:25  Single Ambig)
 &rst
  ixpk= 2780, nxpk= 25, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,1516,1517,1518,1520,1521,1522,1516,1517,
      1518,1520,1521,1522,
 &end
#
#   40 LEU  MDX          92 VAL  HA          5.50    (#   2781:25  Unique         2.26, 3.40 A)
 &rst
  ixpk= 2781, nxpk= 25, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   40 LEU  HG           92 VAL  HA          4.50    (#   2782:25  Unique         4.52, 4.54 A)
 &rst
  ixpk= 2782, nxpk= 25, iat= 617,1369, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 LEU  HG           37 VAL  HA          5.50    (#   2783:25  Unique         4.93, 5.06 A)
 &rst
  ixpk= 2783, nxpk= 25, iat= 617, 557, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:2784    37 VAL  HA          3.50    (#   2784:25  Single Ambig)
 &rst
  ixpk= 2784, nxpk= 25, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 559,1355,
 &end
#
#    0 AMB  25-2:2785    37 VAL  HA          3.50    (#   2785:25  Single Ambig)
 &rst
  ixpk= 2785, nxpk= 25, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 614, 615, 636,
 &end
#
#   40 LEU  MDY          37 VAL  HA          5.50    (#   2786:25  Unique         3.43, 4.97 A)
 &rst
  ixpk= 2786, nxpk= 25, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   37 VAL  MGY          37 VAL  HA          3.50    (#   2787:25  Unique         2.32, 3.13 A)
 &rst
  ixpk= 2787, nxpk= 25, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  25-2:2788    37 VAL  HA          3.50    (#   2788:25  Single Ambig)
 &rst
  ixpk= 2788, nxpk= 25, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 561, 562, 563, 565, 566, 567,1357,1358,1359,1361,
      1362,1363,1357,1358,1359,1361,1362,1363,
 &end
#
#   40 LEU  MDX          37 VAL  HA          5.50    (#   2789:25  Unique         3.43, 4.97 A)
 &rst
  ixpk= 2789, nxpk= 25, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   61 GLN  HB-          61 GLN  HG-         3.50    (#   2790:25  Unique         2.38, 2.77 A)
 &rst
  ixpk= 2790, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 923, 924,
 igr2= 926, 927,
 &end
#
#   10 ALA  MB           61 GLN  HG-         4.50    (#   2791:25  Unique         2.55, 5.78 A)
 &rst
  ixpk= 2791, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 141, 142, 143,
 igr2= 926, 927,
 &end
#
#   48 TYR  HB+          23 VAL  HB          4.50    (#   2792:25  Unique         2.27, 2.52 A)
 &rst
  ixpk= 2792, nxpk= 25, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 727, 728,
 &end
#
#   23 VAL  MGX          23 VAL  HB          3.50    (#   2793:25  Unique         2.36, 2.64 A)
 &rst
  ixpk= 2793, nxpk= 25, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#  102 PRO  HB-         102 PRO  HA          3.50    (#   2795:25  Unique         2.26, 2.68 A)
 &rst
  ixpk= 2795, nxpk= 25, iat=  -1,1555, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1552,1553,
 &end
#
#   93 GLU  HB+          90 THR  HA          4.50    (#   2796:25  Unique         2.76, 3.38 A)
 &rst
  ixpk= 2796, nxpk= 25, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1387,1388,
 &end
#
#   93 GLU  HB-          90 THR  HA          4.50    (#   2797:25  Unique         2.76, 3.38 A)
 &rst
  ixpk= 2797, nxpk= 25, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1387,1388,
 &end
#
#   90 THR  MG2          90 THR  HA          3.50    (#   2798:25  Unique         2.35, 2.98 A)
 &rst
  ixpk= 2798, nxpk= 25, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1343,1344,1345,
 &end
#
#   93 GLU  HA           96 GLN  HG-         4.50    (#   2801:25  Unique         2.19, 3.95 A)
 &rst
  ixpk= 2801, nxpk= 25, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1444,1445,
 &end
#
#   92 VAL  MGX          96 GLN  HG-         4.50    (#   2803:25  Unique         2.96, 5.78 A)
 &rst
  ixpk= 2803, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1373,1374,1375,1377,1378,1379,
 igr2=1444,1445,
 &end
#
#   58 ASP  HB-          61 GLN  HG-         5.50    (#   2804:25  Unique         2.36, 5.96 A)
 &rst
  ixpk= 2804, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 893, 894,
 igr2= 926, 927,
 &end
#
#  106 ASP  HB+         105 GLN  HG-         5.50    (#   2805:25  Unique         6.51, 6.98 A)
 &rst
  ixpk= 2805, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1618,1619,
 igr2=1604,1605,
 &end
#
#    0 AMB  25-2:2806   105 GLN  HG-         5.50    (#   2806:25  Single Ambig)
 &rst
  ixpk= 2806, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1684,1685,1684,1685,1533,
 igr2=1604,1605,
 &end
#
#   58 ASP  HB-          61 GLN  HG+         5.50    (#   2808:25  Unique         2.36, 5.96 A)
 &rst
  ixpk= 2808, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 893, 894,
 igr2= 926, 927,
 &end
#
#    0 AMB  25-2:2809     0 AMB  25-1:2809   4.50    (#   2809:25  Double Ambig)
 &rst
  ixpk= 2809, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1687,1688, 141, 142, 143,
 igr2=1604,1605, 926, 927,
 &end
#
#    0 AMB  25-2:2810     0 AMB  25-1:2810   3.50    (#   2810:25  Double Ambig)
 &rst
  ixpk= 2810, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 822, 823, 824, 826, 827, 828,1766,1767,1768,1770,
      1771,1772,1766,1767,1768,1770,1771,1772,
 igr2= 962, 963,1604,1605,1604,1605,
 &end
#
#   80 ILE  HG1+         23 VAL  HB          5.50    (#   2812:25  Unique         4.39, 5.19 A)
 &rst
  ixpk= 2812, nxpk= 25, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1219,1220,
 &end
#
#   23 VAL  MGX          23 VAL  HB          4.50    (#   2813:25  Unique         2.36, 2.64 A)
 &rst
  ixpk= 2813, nxpk= 25, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  25-2:2814    23 VAL  HB          5.50    (#   2814:25  Single Ambig)
 &rst
  ixpk= 2814, nxpk= 25, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 706, 707, 708, 312, 313, 314,
 &end
#
#   23 VAL  MGY          23 VAL  HB          3.50    (#   2815:25  Unique         2.36, 2.64 A)
 &rst
  ixpk= 2815, nxpk= 25, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   50 VAL  MGX          25 VAL  HB          4.50    (#   2818:25  Unique         2.39, 3.84 A)
 &rst
  ixpk= 2818, nxpk= 25, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 772, 773, 774, 776, 777, 778,
 &end
#
#   50 VAL  MGY          25 VAL  HB          4.50    (#   2819:25  Unique         2.39, 3.84 A)
 &rst
  ixpk= 2819, nxpk= 25, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 772, 773, 774, 776, 777, 778,
 &end
#
#   25 VAL  MGX          25 VAL  HB          3.50    (#   2820:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 2820, nxpk= 25, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   25 VAL  MGY          25 VAL  HB          3.50    (#   2821:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 2821, nxpk= 25, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#  102 PRO  HD-         102 PRO  HA          5.50    (#   2823:25  Unique         3.33, 3.66 A)
 &rst
  ixpk= 2823, nxpk= 25, iat=  -1,1555, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1546,1547,
 &end
#
#    0 AMB  25-2:2824     0 AMB  25-1:2824   3.50    (#   2824:25  Double Ambig)
 &rst
  ixpk= 2824, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1549,1550, 322, 323,
 igr2=1555, 328,
 &end
#
#   81 GLY  HA-          22 PRO  HA          5.50    (#   2825:25  Unique         3.22, 4.30 A)
 &rst
  ixpk= 2825, nxpk= 25, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1230,1231,
 &end
#
#    0 AMB  25-2:2826     0 AMB  25-1:2826   2.50    (#   2826:25  Double Ambig)
 &rst
  ixpk= 2826, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1552,1553, 325, 326,
 igr2=1555, 328,
 &end
#
#    0 AMB  25-2:2827     0 AMB  25-1:2827   2.50    (#   2827:25  Double Ambig)
 &rst
  ixpk= 2827, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1601,1602, 325, 326,1549,1550,
 igr2=1555, 328,
 &end
#
#    0 AMB  25-2:2828    22 PRO  HA          5.50    (#   2828:25  Single Ambig)
 &rst
  ixpk= 2828, nxpk= 25, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 338, 339, 340, 342, 343, 344, 354, 355, 356, 358,
       359, 360,
 &end
#
#   96 GLN  HA           96 GLN  HG-         3.50    (#   2829:25  Unique         2.42, 3.10 A)
 &rst
  ixpk= 2829, nxpk= 25, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1444,1445,
 &end
#
#   96 GLN  HB+          96 GLN  HG-         3.50    (#   2830:25  Unique         2.31, 2.70 A)
 &rst
  ixpk= 2830, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1441,1442,
 igr2=1444,1445,
 &end
#
#   96 GLN  HB-          96 GLN  HG-         3.50    (#   2831:25  Unique         2.31, 2.70 A)
 &rst
  ixpk= 2831, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1441,1442,
 igr2=1444,1445,
 &end
#
#   42 THR  HB            0 AMB  25-1:2833   4.50    (#   2833:25  Single Ambig)
 &rst
  ixpk= 2833, nxpk= 25, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 669, 670, 600, 601,
 &end
#
#    0 AMB  25-2:2834    43 GLN  HG-         2.50    (#   2834:25  Single Ambig)
 &rst
  ixpk= 2834, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 612, 664,
 igr2= 669, 670,
 &end
#
#    0 AMB  25-2:2836     0 AMB  25-1:2836   2.50    (#   2836:25  Double Ambig)
 &rst
  ixpk= 2836, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 597, 598, 575, 576,
 igr2= 600, 601, 600, 601,
 &end
#
#   44 VAL  MGY          43 GLN  HG-         5.50    (#   2837:25  Unique         5.29, 7.57 A)
 &rst
  ixpk= 2837, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 685, 686, 687, 689, 690, 691,
 igr2= 669, 670,
 &end
#
#    0 AMB  25-2:2838   105 GLN  HG-         4.50    (#   2838:25  Single Ambig)
 &rst
  ixpk= 2838, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1682,1555,1660,1742,
 igr2=1604,1605,
 &end
#
#    0 AMB  25-2:2839     0 AMB  25-1:2839   3.50    (#   2839:25  Double Ambig)
 &rst
  ixpk= 2839, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1599,  66,
 igr2=1604,1605,  71,  72,
 &end
#
#   96 GLN  HA           96 GLN  HG+         3.50    (#   2840:25  Unique         2.42, 3.10 A)
 &rst
  ixpk= 2840, nxpk= 25, iat=1439,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1444,1445,
 &end
#
#    0 AMB  25-2:2842     0 AMB  25-1:2842   2.50    (#   2842:25  Double Ambig)
 &rst
  ixpk= 2842, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=1601,1602,1441,1442,1458,1459,
 igr2=1604,1605,1444,1445,1444,1445,
 &end
#
#    0 AMB  25-2:2843     0 AMB  25-1:2843   2.50    (#   2843:25  Double Ambig)
 &rst
  ixpk= 2843, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1=  68,  69,  68,  69,1601,1602,
 igr2=  71,  72,1604,1605,
 &end
#
#  101 LEU  MDY         105 GLN  HG-         5.50    (#   2844:25  Unique         2.26, 4.96 A)
 &rst
  ixpk= 2844, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1535,1536,1537,1539,1540,1541,
 igr2=1604,1605,
 &end
#
#   92 VAL  MGX          96 GLN  HG+         4.50    (#   2845:25  Unique         2.96, 5.78 A)
 &rst
  ixpk= 2845, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1373,1374,1375,1377,1378,1379,
 igr2=1444,1445,
 &end
#
#  106 ASP  HB+         105 GLN  HG-         5.50    (#   2846:25  Unique         6.51, 6.98 A)
 &rst
  ixpk= 2846, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1618,1619,
 igr2=1604,1605,
 &end
#
#  113 ASN  HB+         105 GLN  HG+         5.50    (#   2847:25  Unique         2.67, 5.30 A)
 &rst
  ixpk= 2847, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1706,1707,
 igr2=1604,1605,
 &end
#
#    0 AMB  25-2:2848     0 AMB  25-1:2848   4.50    (#   2848:25  Double Ambig)
 &rst
  ixpk= 2848, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1684,1685,1684,1685,1533,
 igr2=1604,1605,1604,1605,1604,1605,
 &end
#
#    0 AMB  25-2:2849     0 AMB  25-1:2849   4.50    (#   2849:25  Double Ambig)
 &rst
  ixpk= 2849, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=1535,1536,1537,1539,1540,1541,1662,1663,1664, 822,
       823, 824, 826, 827, 828,
 igr2=1604,1605,1604,1605, 962, 963,
 &end
#
#    0 AMB  25-2:2850     0 AMB  25-1:2850   3.50    (#   2850:25  Double Ambig)
 &rst
  ixpk= 2850, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1742,1555, 652,1660, 974,
 igr2=1747,1748,1604,1605, 669, 670,1604,1605, 962, 963,
      1604,1605,
 &end
#
#   63 GLN  HA           63 GLN  QG          3.50    (#   2851:25  Unique         2.30, 3.10 A)
 &rst
  ixpk= 2851, nxpk= 25, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 962, 963,
 &end
#
#    0 AMB  25-2:2852     0 AMB  25-1:2852   4.50    (#   2852:25  Double Ambig)
 &rst
  ixpk= 2852, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1766,1767,1768,1770,1771,1772,1135,1136,1137,1139,
      1140,1141,
 igr2=1604,1605, 962, 963,
 &end
#
#   21 ALA  MB           22 PRO  HA          5.50    (#   2858:25  Unique         4.97, 5.46 A)
 &rst
  ixpk= 2858, nxpk= 25, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 312, 313, 314,
 &end
#
#    0 AMB  25-2:2859    22 PRO  HA          4.50    (#   2859:25  Single Ambig)
 &rst
  ixpk= 2859, nxpk= 25, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 319, 320, 319, 320,
 &end
#
#  107 ALA  MB           22 PRO  HA          4.50    (#   2860:25  Unique         3.55, 4.97 A)
 &rst
  ixpk= 2860, nxpk= 25, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1630,1631,1632,
 &end
#
#   25 VAL  MGX          27 SER  HB+         5.50    (#   2863:25  Unique         2.15, 5.83 A)
 &rst
  ixpk= 2863, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 370, 371, 372, 374, 375, 376,
 igr2= 404, 405,
 &end
#
#   50 VAL  MGY          27 SER  HB+         4.50    (#   2865:25  Unique         2.48, 5.49 A)
 &rst
  ixpk= 2865, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 772, 773, 774, 776, 777, 778,
 igr2= 404, 405,
 &end
#
#   50 VAL  MGY          27 SER  HB-         4.50    (#   2867:25  Unique         2.48, 5.49 A)
 &rst
  ixpk= 2867, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 772, 773, 774, 776, 777, 778,
 igr2= 404, 405,
 &end
#
#   25 VAL  MGX          27 SER  HB-         5.50    (#   2868:25  Unique         2.15, 5.83 A)
 &rst
  ixpk= 2868, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 370, 371, 372, 374, 375, 376,
 igr2= 404, 405,
 &end
#
#    0 AMB  25-2:2869     0 AMB  25-1:2869   5.50    (#   2869:25  Double Ambig)
 &rst
  ixpk= 2869, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 614, 615, 538, 539,
 igr2= 669, 670, 600, 601, 600, 601,
 &end
#
#   42 THR  MG2          43 GLN  HG-         5.50    (#   2870:25  Unique         3.85, 5.52 A)
 &rst
  ixpk= 2870, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 654, 655, 656,
 igr2= 669, 670,
 &end
#
#    0 AMB  25-2:2871    39 GLN  HG-         5.50    (#   2871:25  Single Ambig)
 &rst
  ixpk= 2871, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 521, 522, 584, 585,
 igr2= 600, 601,
 &end
#
#    0 AMB  25-2:2872     0 AMB  25-1:2872   2.50    (#   2872:25  Double Ambig)
 &rst
  ixpk= 2872, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1=1744,1745, 597, 598,
 igr2=1747,1748, 600, 601,
 &end
#
#   50 VAL  MGX          50 VAL  HB          2.50    (#   2874:25  Unique         2.35, 2.66 A)
 &rst
  ixpk= 2874, nxpk= 25, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 772, 773, 774, 776, 777, 778,
 &end
#
#   50 VAL  MGY          50 VAL  HB          2.50    (#   2875:25  Unique         2.35, 2.66 A)
 &rst
  ixpk= 2875, nxpk= 25, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 772, 773, 774, 776, 777, 778,
 &end
#
#   83 LYS  QG           83 LYS  QB          2.50    (#   2876:25  Unique         2.39, 2.76 A)
 &rst
  ixpk= 2876, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1249,1250,
 igr2=1246,1247,
 &end
#
#   29 THR  HB           29 THR  HA          3.50    (#   2880:25  Unique         2.61, 2.64 A)
 &rst
  ixpk= 2880, nxpk= 25, iat= 437, 435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 GLU  QG           29 THR  HA          5.50    (#   2881:25  Unique         2.61, 4.06 A)
 &rst
  ixpk= 2881, nxpk= 25, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 805, 806,
 &end
#
#   29 THR  MG2          29 THR  HA          3.50    (#   2882:25  Unique         2.37, 2.95 A)
 &rst
  ixpk= 2882, nxpk= 25, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 439, 440, 441,
 &end
#
#   78 VAL  MGY          78 VAL  HB          2.50    (#   2883:25  Unique         2.42, 2.67 A)
 &rst
  ixpk= 2883, nxpk= 25, iat=  -1,1177, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1179,1180,1181,1183,1184,1185,
 &end
#
#   84 GLN  HA           84 GLN  HG-         4.50    (#   2884:25  Unique         2.29, 3.01 A)
 &rst
  ixpk= 2884, nxpk= 25, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1271,1272,
 &end
#
#   70 THR  MG2          84 GLN  HG+         4.50    (#   2885:25  Unique         2.32, 3.75 A)
 &rst
  ixpk= 2885, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1069,1070,1071,
 igr2=1271,1272,
 &end
#
#   84 GLN  HA           84 GLN  HG+         4.50    (#   2886:25  Unique         2.29, 3.01 A)
 &rst
  ixpk= 2886, nxpk= 25, iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1271,1272,
 &end
#
#    0 AMB  25-2:2887     3 SER  HB-         5.50    (#   2887:25  Single Ambig)
 &rst
  ixpk= 2887, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=  68,  69,  68,  69,
 igr2=  35,  36,
 &end
#
#   38 LYS  HG+          52 GLU  QG          5.50    (#   2888:25  Unique         6.07, 6.75 A)
 &rst
  ixpk= 2888, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 578, 579,
 igr2= 805, 806,
 &end
#
#   38 LYS  HA           38 LYS  HB+         4.50    (#   2889:25  Unique         2.44, 2.79 A)
 &rst
  ixpk= 2889, nxpk= 25, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 575, 576,
 &end
#
#   50 VAL  MGX          52 GLU  QG          5.50    (#   2890:25  Unique         2.16, 4.71 A)
 &rst
  ixpk= 2890, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 772, 773, 774, 776, 777, 778,
 igr2= 805, 806,
 &end
#
#   38 LYS  HG+          38 LYS  HB+         5.50    (#   2891:25  Unique         2.39, 2.78 A)
 &rst
  ixpk= 2891, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 578, 579,
 igr2= 575, 576,
 &end
#
#  112 LYS  HA          112 LYS  HB+         3.50    (#   2893:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 2893, nxpk= 25, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1684,1685,
 &end
#
#   84 GLN  HB-          84 GLN  HG-         3.50    (#   2895:25  Unique         2.24, 2.64 A)
 &rst
  ixpk= 2895, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1268,1269,
 igr2=1271,1272,
 &end
#
#   70 THR  MG2          84 GLN  HG-         3.50    (#   2896:25  Unique         2.32, 3.75 A)
 &rst
  ixpk= 2896, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1069,1070,1071,
 igr2=1271,1272,
 &end
#
#  112 LYS  HA          112 LYS  HB-         4.50    (#   2897:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 2897, nxpk= 25, iat=1682,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1684,1685,
 &end
#
#  112 LYS  QG          112 LYS  HB-         2.50    (#   2898:25  Unique         2.29, 2.73 A)
 &rst
  ixpk= 2898, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1687,1688,
 igr2=1684,1685,
 &end
#
#   84 GLN  HB-          84 GLN  HG+         3.50    (#   2900:25  Unique         2.24, 2.64 A)
 &rst
  ixpk= 2900, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1268,1269,
 igr2=1271,1272,
 &end
#
#   52 GLU  HB-          52 GLU  QG          2.50    (#   2906:25  Unique         2.25, 2.75 A)
 &rst
  ixpk= 2906, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 802, 803,
 igr2= 805, 806,
 &end
#
#   50 VAL  MGY          52 GLU  QG          3.50    (#   2907:25  Unique         2.16, 4.71 A)
 &rst
  ixpk= 2907, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 772, 773, 774, 776, 777, 778,
 igr2= 805, 806,
 &end
#
#   24 VAL  MGX          51 VAL  HB          5.50    (#   2909:25  Unique         3.75, 6.42 A)
 &rst
  ixpk= 2909, nxpk= 25, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:2910    51 VAL  HB          2.50    (#   2910:25  Single Ambig)
 &rst
  ixpk= 2910, nxpk= 25, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 788, 789, 790, 792, 793, 794, 822, 823, 824, 826,
       827, 828,
 &end
#
#   51 VAL  MGX          51 VAL  HB          3.50    (#   2911:25  Unique         2.40, 2.66 A)
 &rst
  ixpk= 2911, nxpk= 25, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:2913     0 AMB  25-1:2913   5.50    (#   2913:25  Double Ambig)
 &rst
  ixpk= 2913, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 149, 244,
 igr2= 192, 193, 170, 171,
 &end
#
#   12 LYS  HG-          12 LYS  QB          2.50    (#   2914:25  Unique         2.26, 2.76 A)
 &rst
  ixpk= 2914, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 173, 174,
 igr2= 170, 171,
 &end
#
#   11 LEU  MDX          12 LYS  QB          4.50    (#   2915:25  Unique         3.66, 6.38 A)
 &rst
  ixpk= 2915, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 156, 157, 158, 160, 161, 162,
 igr2= 170, 171,
 &end
#
#    0 AMB  25-2:2916     0 AMB  25-1:2916   2.50    (#   2916:25  Double Ambig)
 &rst
  ixpk= 2916, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=  44, 129,
 igr2=  46,  47, 170, 171,
 &end
#
#   12 LYS  HA           12 LYS  QB          2.50    (#   2917:25  Unique         2.44, 2.78 A)
 &rst
  ixpk= 2917, nxpk= 25, iat= 168,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 170, 171,
 &end
#
#   12 LYS  QE           12 LYS  QB          4.50    (#   2918:25  Unique         2.15, 4.35 A)
 &rst
  ixpk= 2918, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 179, 180,
 igr2= 170, 171,
 &end
#
#   12 LYS  QD           12 LYS  QB          2.50    (#   2919:25  Unique         2.36, 2.90 A)
 &rst
  ixpk= 2919, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 176, 177,
 igr2= 170, 171,
 &end
#
#    0 AMB  25-2:2920     0 AMB  25-1:2920   2.50    (#   2920:25  Double Ambig)
 &rst
  ixpk= 2920, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 173, 174,  49,  50,  49,  50,
 igr2= 170, 171,  46,  47,
 &end
#
#    0 AMB  25-2:2921     0 AMB  25-1:2921   5.50    (#   2921:25  Double Ambig)
 &rst
  ixpk= 2921, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1461,1462, 170, 171,
 igr2=1402,1403, 224, 225,
 &end
#
#    0 AMB  25-2:2923    34 CYS  HA          3.50    (#   2923:25  Single Ambig)
 &rst
  ixpk= 2923, nxpk= 25, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 510, 511,1146,1147,
 &end
#
#   34 CYS  HB-          34 CYS  HA          4.50    (#   2924:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 2924, nxpk= 25, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 510, 511,
 &end
#
#   76 PRO  HB+          34 CYS  HA          4.50    (#   2925:25  Unique         2.27, 3.18 A)
 &rst
  ixpk= 2925, nxpk= 25, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1152,1153,
 &end
#
#   37 VAL  HB           34 CYS  HA          4.50    (#   2926:25  Unique         2.60, 2.92 A)
 &rst
  ixpk= 2926, nxpk= 25, iat= 559, 508, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 VAL  MGY          34 CYS  HA          4.50    (#   2927:25  Unique         3.31, 4.81 A)
 &rst
  ixpk= 2927, nxpk= 25, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  25-2:2928    34 CYS  HA          3.50    (#   2928:25  Single Ambig)
 &rst
  ixpk= 2928, nxpk= 25, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1149,1150,1152,1153,
 &end
#
#    0 AMB  25-2:2929     0 AMB  25-1:2929   4.50    (#   2929:25  Double Ambig)
 &rst
  ixpk= 2929, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 319, 320, 319, 320,
 igr2= 325, 326, 325, 326,
 &end
#
#    0 AMB  25-2:2931     0 AMB  25-1:2931   3.50    (#   2931:25  Double Ambig)
 &rst
  ixpk= 2931, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1650,1651,1652,1630,1631,1632,
 igr2= 325, 326, 325, 326,
 &end
#
#   23 VAL  MGX          22 PRO  HB+         5.50    (#   2932:25  Unique         2.87, 6.13 A)
 &rst
  ixpk= 2932, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 338, 339, 340, 342, 343, 344,
 igr2= 325, 326,
 &end
#
#    0 AMB  25-2:2935    22 PRO  HB-         4.50    (#   2935:25  Single Ambig)
 &rst
  ixpk= 2935, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 319, 320, 319, 320,
 igr2= 325, 326,
 &end
#
#    0 AMB  25-2:2936    22 PRO  HB-         2.50    (#   2936:25  Single Ambig)
 &rst
  ixpk= 2936, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1650,1651,1652,1630,1631,1632,
 igr2= 325, 326,
 &end
#
#   94 LYS  HA           94 LYS  HB+         4.50    (#   2937:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 2937, nxpk= 25, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1402,1403,
 &end
#
#   91 VAL  HA           94 LYS  HB+         5.50    (#   2938:25  Unique         2.38, 3.35 A)
 &rst
  ixpk= 2938, nxpk= 25, iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1402,1403,
 &end
#
#   94 LYS  QG           94 LYS  HB+         3.50    (#   2939:25  Unique         2.43, 2.78 A)
 &rst
  ixpk= 2939, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1405,1406,
 igr2=1402,1403,
 &end
#
#    4 LYS  HA            4 LYS  HB+         2.50    (#   2941:25  Unique         2.41, 2.70 A)
 &rst
  ixpk= 2941, nxpk= 25, iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2=  46,  47,
 &end
#
#    0 AMB  25-2:2942     0 AMB  25-1:2942   2.50    (#   2942:25  Double Ambig)
 &rst
  ixpk= 2942, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1=  49,  50,  49,  50,1402,1403,
 igr2=  46,  47,  46,  47,1496,1497,
 &end
#
#   94 LYS  HA           94 LYS  HB-         4.50    (#   2943:25  Unique         2.48, 2.78 A)
 &rst
  ixpk= 2943, nxpk= 25, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1402,1403,
 &end
#
#  100 LEU  HB-          94 LYS  HB-         5.50    (#   2944:25  Unique         2.37, 3.36 A)
 &rst
  ixpk= 2944, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1511,1512,
 igr2=1402,1403,
 &end
#
#    0 AMB  25-2:2945     0 AMB  25-1:2945   5.50    (#   2945:25  Double Ambig)
 &rst
  ixpk= 2945, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 156, 157, 158, 160, 161, 162,1568,1569,1570,1572,
      1573,1574,1568,1569,1570,1572,1573,1574,
 igr2= 224, 225,1402,1403,
 &end
#
#    0 AMB  25-2:2946    15 LYS  QB          3.50    (#   2946:25  Single Ambig)
 &rst
  ixpk= 2946, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 222, 168,
 igr2= 224, 225,
 &end
#
#    0 AMB  25-2:2948     0 AMB  25-1:2948   2.50    (#   2948:25  Double Ambig)
 &rst
  ixpk= 2948, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 233, 234,1405,1406,
 igr2= 224, 225,1402,1403,
 &end
#
#   15 LYS  QD           15 LYS  QB          3.50    (#   2949:25  Unique         2.45, 2.84 A)
 &rst
  ixpk= 2949, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 230, 231,
 igr2= 224, 225,
 &end
#
#    0 AMB  25-2:2950    94 LYS  HB-         4.50    (#   2950:25  Single Ambig)
 &rst
  ixpk= 2950, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1516,1517,1518,1520,1521,1522,1516,1517,1518,1520,
      1521,1522,
 igr2=1402,1403,
 &end
#
#   15 LYS  HG-          15 LYS  QB          3.50    (#   2951:25  Unique         2.37, 2.76 A)
 &rst
  ixpk= 2951, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 227, 228,
 igr2= 224, 225,
 &end
#
#   15 LYS  HG+          15 LYS  QB          4.50    (#   2952:25  Unique         2.37, 2.76 A)
 &rst
  ixpk= 2952, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 227, 228,
 igr2= 224, 225,
 &end
#
#   82 GLY  HA-          19 SER  HB+         5.50    (#   2953:25  Unique         2.99, 5.17 A)
 &rst
  ixpk= 2953, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1237,1238,
 igr2= 290, 291,
 &end
#
#   18 ALA  MB           19 SER  HB+         5.50    (#   2955:25  Unique         4.10, 6.05 A)
 &rst
  ixpk= 2955, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 280, 281, 282,
 igr2= 290, 291,
 &end
#
#   37 VAL  MGX          34 CYS  HA          4.50    (#   2957:25  Unique         3.31, 4.81 A)
 &rst
  ixpk= 2957, nxpk= 25, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#   22 PRO  HG+          22 PRO  HB+         3.50    (#   2958:25  Unique         2.39, 2.64 A)
 &rst
  ixpk= 2958, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 322, 323,
 igr2= 325, 326,
 &end
#
#  114 PRO  HA          114 PRO  HB-         3.50    (#   2959:25  Unique         2.26, 2.60 A)
 &rst
  ixpk= 2959, nxpk= 25, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1723,1724,
 &end
#
#  114 PRO  HD-         114 PRO  HB-         4.50    (#   2960:25  Unique         2.76, 3.68 A)
 &rst
  ixpk= 2960, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1717,1718,
 igr2=1723,1724,
 &end
#
#    0 AMB  25-2:2962    75 VAL  HB          3.50    (#   2962:25  Single Ambig)
 &rst
  ixpk= 2962, nxpk= 25, iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1135,1136,1137,1139,1140,1141,1135,1136,1137,1139,
      1140,1141,
 &end
#
#   92 VAL  HA           92 VAL  HB          4.50    (#   2964:25  Unique         2.42, 2.98 A)
 &rst
  ixpk= 2964, nxpk= 25, iat=1369,1371, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 PRO  HA           22 PRO  HB-         2.50    (#   2965:25  Unique         2.30, 2.52 A)
 &rst
  ixpk= 2965, nxpk= 25, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 325, 326,
 &end
#
#   94 LYS  HA           99 GLU  HB+         5.50    (#   2966:25  Unique         2.55, 3.33 A)
 &rst
  ixpk= 2966, nxpk= 25, iat=1400,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1496,1497,
 &end
#
#   97 ARG  HB-          99 GLU  HB+         5.50    (#   2968:25  Unique         2.35, 3.44 A)
 &rst
  ixpk= 2968, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1458,1459,
 igr2=1496,1497,
 &end
#
#   99 GLU  QG           94 LYS  HB+         4.50    (#   2969:25  Unique         3.53, 5.39 A)
 &rst
  ixpk= 2969, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1499,1500,
 igr2=1402,1403,
 &end
#
#  114 PRO  HA          114 PRO  HB+         4.50    (#   2970:25  Unique         2.26, 2.60 A)
 &rst
  ixpk= 2970, nxpk= 25, iat=1726,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1723,1724,
 &end
#
#  114 PRO  HD+         114 PRO  HB+         4.50    (#   2971:25  Unique         2.76, 3.68 A)
 &rst
  ixpk= 2971, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1717,1718,
 igr2=1723,1724,
 &end
#
#   99 GLU  HA           99 GLU  HB-         5.50    (#   2973:25  Unique         2.48, 2.77 A)
 &rst
  ixpk= 2973, nxpk= 25, iat=1494,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1496,1497,
 &end
#
#   99 GLU  QG           99 GLU  HB-         3.50    (#   2974:25  Unique         2.34, 2.76 A)
 &rst
  ixpk= 2974, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1499,1500,
 igr2=1496,1497,
 &end
#
#    8 ASP  HA            0 AMB  25-1:2976   5.50    (#   2976:25  Single Ambig)
 &rst
  ixpk= 2976, nxpk= 25, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 170, 171,  46,  47,
 &end
#
#   15 LYS  HA           19 SER  HB+         5.50    (#   2978:25  Unique         5.12, 6.02 A)
 &rst
  ixpk= 2978, nxpk= 25, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 290, 291,
 &end
#
#   22 PRO  HG-          47 SER  HB+         5.50    (#   2979:25  Unique         2.55, 3.74 A)
 &rst
  ixpk= 2979, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 322, 323,
 igr2= 716, 717,
 &end
#
#   92 VAL  MGX          92 VAL  HB          2.50    (#   2982:25  Unique         2.41, 2.67 A)
 &rst
  ixpk= 2982, nxpk= 25, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1373,1374,1375,1377,1378,1379,
 &end
#
#  114 PRO  HD-         114 PRO  HA          5.50    (#   2983:25  Unique         3.34, 3.76 A)
 &rst
  ixpk= 2983, nxpk= 25, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1717,1718,
 &end
#
#    0 AMB  25-2:2984   114 PRO  HA          3.50    (#   2984:25  Single Ambig)
 &rst
  ixpk= 2984, nxpk= 25, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1723,1724,1720,1721,
 &end
#
#    0 AMB  25-2:2988    20 SER  HB-         5.50    (#   2988:25  Single Ambig)
 &rst
  ixpk= 2988, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 266, 267, 268, 270, 271, 272, 354, 355, 356, 358,
       359, 360,
 igr2= 301, 302,
 &end
#
#  109 ALA  HA           47 SER  HB+         5.50    (#   2989:25  Unique         2.64, 3.95 A)
 &rst
  ixpk= 2989, nxpk= 25, iat=1648,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 716, 717,
 &end
#
#  109 ALA  MB           47 SER  HB+         5.50    (#   2990:25  Unique         3.55, 5.53 A)
 &rst
  ixpk= 2990, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1650,1651,1652,
 igr2= 716, 717,
 &end
#
#   46 ALA  MB           47 SER  HB+         5.50    (#   2991:25  Unique         4.83, 6.34 A)
 &rst
  ixpk= 2991, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 706, 707, 708,
 igr2= 716, 717,
 &end
#
#  109 ALA  HA           47 SER  HB-         5.50    (#   2992:25  Unique         2.64, 3.95 A)
 &rst
  ixpk= 2992, nxpk= 25, iat=1648,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 716, 717,
 &end
#
#   22 PRO  HB-          47 SER  HB-         5.50    (#   2993:25  Unique         4.52, 5.93 A)
 &rst
  ixpk= 2993, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 325, 326,
 igr2= 716, 717,
 &end
#
#   34 CYS  HA           37 VAL  HB          4.50    (#   2995:25  Unique         2.60, 2.92 A)
 &rst
  ixpk= 2995, nxpk= 25, iat= 508, 559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:2996     0 AMB  25-1:2996   3.50    (#   2996:25  Double Ambig)
 &rst
  ixpk= 2996, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 557, 510, 511,
 igr2= 559,1355,
 &end
#
#   91 VAL  HA           91 VAL  HB          5.50    (#   2997:25  Unique         2.44, 2.47 A)
 &rst
  ixpk= 2997, nxpk= 25, iat=1353,1355, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:2998    37 VAL  HB          3.50    (#   2998:25  Single Ambig)
 &rst
  ixpk= 2998, nxpk= 25, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1149,1150,1152,1153,
 &end
#
#    0 AMB  25-2:2999     0 AMB  25-1:2999   5.50    (#   2999:25  Double Ambig)
 &rst
  ixpk= 2999, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 578, 579,1511,1512,
 igr2= 559,1355,
 &end
#
#   37 VAL  MGY          37 VAL  HB          2.50    (#   3000:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 3000, nxpk= 25, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  25-2:3001     0 AMB  25-1:3001   2.50    (#   3001:25  Double Ambig)
 &rst
  ixpk= 3001, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
      1362,1363,1357,1358,1359,1361,1362,1363, 561, 562,
       563, 565, 566, 567,
 igr2=1355, 559,
 &end
#
#    0 AMB  25-2:3002     0 AMB  25-1:3002   4.50    (#   3002:25  Double Ambig)
 &rst
  ixpk= 3002, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 619, 620, 621, 623, 624, 625, 370, 371, 372, 374,
       375, 376,
 igr2=1355, 559,
 &end
#
#   72 ARG  HD-          72 ARG  HB+         5.50    (#   3003:25  Unique         2.20, 3.04 A)
 &rst
  ixpk= 3003, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1094,1095,
 igr2=1088,1089,
 &end
#
#  114 PRO  HB-         114 PRO  HA          3.50    (#   3005:25  Unique         2.26, 2.60 A)
 &rst
  ixpk= 3005, nxpk= 25, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1723,1724,
 &end
#
#    0 AMB  25-2:3006   114 PRO  HA          5.50    (#   3006:25  Single Ambig)
 &rst
  ixpk= 3006, nxpk= 25, iat=  -1,1726, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1674,1675,1676,1734,1735,1736,
 &end
#
#   40 LEU  HG           95 HIS  HB-         4.50    (#   3007:25  Unique         3.27, 3.86 A)
 &rst
  ixpk= 3007, nxpk= 25, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1424,1425,
 &end
#
#   46 ALA  MB           44 VAL  HB          5.50    (#   3008:25  Unique         4.16, 5.58 A)
 &rst
  ixpk= 3008, nxpk= 25, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 706, 707, 708,
 &end
#
#  101 LEU  MDX          44 VAL  HB          4.50    (#   3009:25  Unique         2.25, 4.44 A)
 &rst
  ixpk= 3009, nxpk= 25, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  25-2:3010    44 VAL  HB          2.50    (#   3010:25  Single Ambig)
 &rst
  ixpk= 3010, nxpk= 25, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 685, 686, 687, 689, 690, 691, 685, 686, 687, 689,
       690, 691,
 &end
#
#   44 VAL  HA           44 VAL  HB          2.50    (#   3011:25  Unique         2.42, 2.47 A)
 &rst
  ixpk= 3011, nxpk= 25, iat= 681, 683, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  102 PRO  HD-         102 PRO  HB-         5.50    (#   3012:25  Unique         2.82, 3.70 A)
 &rst
  ixpk= 3012, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1546,1547,
 igr2=1552,1553,
 &end
#
#  102 PRO  HD+         102 PRO  HB-         5.50    (#   3013:25  Unique         2.82, 3.70 A)
 &rst
  ixpk= 3013, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1546,1547,
 igr2=1552,1553,
 &end
#
#  102 PRO  HA          102 PRO  HB-         3.50    (#   3014:25  Unique         2.26, 2.68 A)
 &rst
  ixpk= 3014, nxpk= 25, iat=1555,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1552,1553,
 &end
#
#  102 PRO  HG+         102 PRO  HB-         3.50    (#   3015:25  Unique         2.35, 2.62 A)
 &rst
  ixpk= 3015, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1549,1550,
 igr2=1552,1553,
 &end
#
#   50 VAL  MGX          38 LYS  HD-         5.50    (#   3016:25  Unique         2.24, 4.54 A)
 &rst
  ixpk= 3016, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 772, 773, 774, 776, 777, 778,
 igr2= 581, 582,
 &end
#
#   50 VAL  MGY          38 LYS  HD-         5.50    (#   3019:25  Unique         2.24, 4.54 A)
 &rst
  ixpk= 3019, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 772, 773, 774, 776, 777, 778,
 igr2= 581, 582,
 &end
#
#    0 AMB  25-2:3020    38 LYS  HD-         4.50    (#   3020:25  Single Ambig)
 &rst
  ixpk= 3020, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 584, 585, 584, 585,
 igr2= 581, 582,
 &end
#
#   38 LYS  HG+          38 LYS  HD-         5.50    (#   3021:25  Unique         2.35, 2.61 A)
 &rst
  ixpk= 3021, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 578, 579,
 igr2= 581, 582,
 &end
#
#   35 ASN  HA           38 LYS  HD+         4.50    (#   3022:25  Unique         2.34, 3.36 A)
 &rst
  ixpk= 3022, nxpk= 25, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 581, 582,
 &end
#
#    0 AMB  25-2:3023     0 AMB  25-1:3023   4.50    (#   3023:25  Double Ambig)
 &rst
  ixpk= 3023, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1094,1095, 584, 585,
 igr2=1088,1089, 581, 582,
 &end
#
#   38 LYS  HB+          38 LYS  HD+         5.50    (#   3024:25  Unique         2.32, 3.30 A)
 &rst
  ixpk= 3024, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 575, 576,
 igr2= 581, 582,
 &end
#
#   38 LYS  HG+          38 LYS  HD+         5.50    (#   3026:25  Unique         2.35, 2.61 A)
 &rst
  ixpk= 3026, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 578, 579,
 igr2= 581, 582,
 &end
#
#    0 AMB  25-2:3028     0 AMB  25-1:3028   4.50    (#   3028:25  Double Ambig)
 &rst
  ixpk= 3028, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 156, 157, 158, 160, 161, 162,1516,1517,1518,1520,
      1521,1522,
 igr2=1043,1044,1424,1425,
 &end
#
#  100 LEU  MDY          95 HIS  HB+         4.50    (#   3030:25  Unique         2.24, 4.97 A)
 &rst
  ixpk= 3030, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1516,1517,1518,1520,1521,1522,
 igr2=1424,1425,
 &end
#
#  102 PRO  HD-         102 PRO  HB+         5.50    (#   3031:25  Unique         2.82, 3.70 A)
 &rst
  ixpk= 3031, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1546,1547,
 igr2=1552,1553,
 &end
#
#  102 PRO  HD+         102 PRO  HB+         5.50    (#   3032:25  Unique         2.82, 3.70 A)
 &rst
  ixpk= 3032, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1546,1547,
 igr2=1552,1553,
 &end
#
#  102 PRO  HG-         102 PRO  HB+         3.50    (#   3033:25  Unique         2.35, 2.62 A)
 &rst
  ixpk= 3033, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1549,1550,
 igr2=1552,1553,
 &end
#
#  102 PRO  HG+         102 PRO  HB+         3.50    (#   3034:25  Unique         2.35, 2.62 A)
 &rst
  ixpk= 3034, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1549,1550,
 igr2=1552,1553,
 &end
#
#  102 PRO  HG-         102 PRO  HB-         3.50    (#   3037:25  Unique         2.35, 2.62 A)
 &rst
  ixpk= 3037, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1549,1550,
 igr2=1552,1553,
 &end
#
#   55 GLU  HA           55 GLU  HB+         3.50    (#   3038:25  Unique         2.40, 2.73 A)
 &rst
  ixpk= 3038, nxpk= 25, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 848, 849,
 &end
#
#   55 GLU  HA           55 GLU  HB-         4.50    (#   3039:25  Unique         2.40, 2.73 A)
 &rst
  ixpk= 3039, nxpk= 25, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 848, 849,
 &end
#
#   31 CYS  HA           31 CYS  HB-         5.50    (#   3041:25  Unique         2.27, 2.71 A)
 &rst
  ixpk= 3041, nxpk= 25, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 473, 472,
 &end
#
#   97 ARG  HA           97 ARG  HB+         4.50    (#   3042:25  Unique         2.32, 2.75 A)
 &rst
  ixpk= 3042, nxpk= 25, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1458,1459,
 &end
#
#   97 ARG  HA           97 ARG  HB-         5.50    (#   3043:25  Unique         2.32, 2.75 A)
 &rst
  ixpk= 3043, nxpk= 25, iat=1456,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1458,1459,
 &end
#
#   97 ARG  QD           97 ARG  HB+         4.50    (#   3044:25  Unique         2.36, 3.19 A)
 &rst
  ixpk= 3044, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1464,1465,
 igr2=1458,1459,
 &end
#
#   97 ARG  QD           97 ARG  HB-         4.50    (#   3045:25  Unique         2.36, 3.19 A)
 &rst
  ixpk= 3045, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1464,1465,
 igr2=1458,1459,
 &end
#
#    0 AMB  25-2:3046     0 AMB  25-1:3046   5.50    (#   3046:25  Double Ambig)
 &rst
  ixpk= 3046, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1012, 983,1063,
 igr2=1026,1027,1026,1027,1026,1027,
 &end
#
#    7 LEU  MDX          68 HIS  HB+         5.50    (#   3047:25  Unique         2.50, 4.16 A)
 &rst
  ixpk= 3047, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 105, 106, 107, 109, 110, 111,
 igr2=1026,1027,
 &end
#
#   11 LEU  MDX          68 HIS  HB+         5.50    (#   3048:25  Unique         4.50, 7.62 A)
 &rst
  ixpk= 3048, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 156, 157, 158, 160, 161, 162,
 igr2=1026,1027,
 &end
#
#   49 LYS  HA           49 LYS  QD          4.50    (#   3049:25  Unique         3.82, 4.50 A)
 &rst
  ixpk= 3049, nxpk= 25, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 754, 755,
 &end
#
#   83 LYS  HA           83 LYS  QD          4.50    (#   3055:25  Unique         2.40, 4.63 A)
 &rst
  ixpk= 3055, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1252,1253,
 &end
#
#    0 AMB  25-2:3059     0 AMB  25-1:3059   5.50    (#   3059:25  Double Ambig)
 &rst
  ixpk= 3059, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 310, 834,
 igr2= 322, 323, 959, 960,
 &end
#
#    0 AMB  25-2:3060     0 AMB  25-1:3060   5.50    (#   3060:25  Double Ambig)
 &rst
  ixpk= 3060, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 310,1480,
 igr2= 322, 323,1549,1550,
 &end
#
#    0 AMB  25-2:3062    80 ILE  HG1-        5.50    (#   3062:25  Single Ambig)
 &rst
  ixpk= 3062, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1211, 334,
 igr2=1219,1220,
 &end
#
#   72 ARG  HA           72 ARG  HG+         5.50    (#   3066:25  Unique         2.41, 3.01 A)
 &rst
  ixpk= 3066, nxpk= 25, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1091,1092,
 &end
#
#   72 ARG  HA           72 ARG  HG-         5.50    (#   3068:25  Unique         2.41, 3.01 A)
 &rst
  ixpk= 3068, nxpk= 25, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1091,1092,
 &end
#
#    3 SER  HA            4 LYS  HA          5.50    (#   3069:25  Unique         4.23, 4.59 A)
 &rst
  ixpk= 3069, nxpk= 25, iat=  33,  44, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 PHE  HA           85 ILE  HG1-        5.50    (#   3072:25  Unique         2.33, 3.29 A)
 &rst
  ixpk= 3072, nxpk= 25, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1291,1292,
 &end
#
#   83 LYS  HA           84 GLN  HB+         5.50    (#   3073:25  Unique         4.22, 4.66 A)
 &rst
  ixpk= 3073, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1268,1269,
 &end
#
#   76 PRO  HA           75 VAL  HA          3.50    (#   3075:25  Unique         2.22, 2.37 A)
 &rst
  ixpk= 3075, nxpk= 25, iat=1155,1131, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:3079     0 AMB  25-1:3079   3.50    (#   3079:25  Double Ambig)
 &rst
  ixpk= 3079, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1422, 903, 904,
 igr2=1516,1517,1518,1520,1521,1522, 943,
 &end
#
#   76 PRO  HA           53 LEU  MDY         5.50    (#   3080:25  Unique         5.57, 7.98 A)
 &rst
  ixpk= 3080, nxpk= 25, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   26 PHE  HA           53 LEU  MDY         5.50    (#   3081:25  Unique         3.10, 4.96 A)
 &rst
  ixpk= 3081, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  25-2:3083    56 LEU  MDY         4.50    (#   3083:25  Single Ambig)
 &rst
  ixpk= 3083, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 861, 903, 904,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#   49 LYS  HA           49 LYS  HG+         5.50    (#   3087:25  Unique         2.46, 2.96 A)
 &rst
  ixpk= 3087, nxpk= 25, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 751, 752,
 &end
#
#   49 LYS  HA           49 LYS  HG-         4.50    (#   3090:25  Unique         2.46, 2.96 A)
 &rst
  ixpk= 3090, nxpk= 25, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 751, 752,
 &end
#
#   79 PHE  HA           84 GLN  HA          4.50    (#   3095:25  Unique         2.23, 2.44 A)
 &rst
  ixpk= 3095, nxpk= 25, iat=1191,1266, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 PRO  HA           37 VAL  MGY         5.50    (#   3098:25  Unique         5.29, 6.73 A)
 &rst
  ixpk= 3098, nxpk= 25, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   33 TYR  HA           37 VAL  MGY         5.50    (#   3099:25  Unique         4.29, 6.76 A)
 &rst
  ixpk= 3099, nxpk= 25, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   83 LYS  HA           83 LYS  QG          3.50    (#   3100:25  Unique         2.49, 3.09 A)
 &rst
  ixpk= 3100, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1249,1250,
 &end
#
#   59 GLY  HA-          62 LEU  MDY         5.50    (#   3102:25  Unique         3.74, 6.53 A)
 &rst
  ixpk= 3102, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 903, 904,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  25-2:3103   104 LEU  MDX         5.50    (#   3103:25  Single Ambig)
 &rst
  ixpk= 3103, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1211, 334,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#   77 ASN  HD2-         66 LEU  MDY         5.50    (#   3104:25  Unique         2.18, 5.24 A)
 &rst
  ixpk= 3104, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1168,1169,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   26 PHE  HA           53 LEU  MDX         5.50    (#   3106:25  Unique         3.10, 4.96 A)
 &rst
  ixpk= 3106, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   46 ALA  HA          104 LEU  MDX         5.50    (#   3109:25  Unique         3.51, 5.14 A)
 &rst
  ixpk= 3109, nxpk= 25, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#   48 TYR  HA          104 LEU  MDX         5.50    (#   3110:25  Unique         6.18, 7.93 A)
 &rst
  ixpk= 3110, nxpk= 25, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1587,1588,1589,1591,1592,1593,
 &end
#
#  113 ASN  HA          112 LYS  HA          5.50    (#   3112:25  Unique         4.30, 4.62 A)
 &rst
  ixpk= 3112, nxpk= 25, iat=1704,1682, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 GLU  HA           53 LEU  MDX         5.50    (#   3113:25  Unique         3.77, 5.94 A)
 &rst
  ixpk= 3113, nxpk= 25, iat= 800,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 822, 823, 824, 826, 827, 828,
 &end
#
#   59 GLY  HA-          62 LEU  MDY         5.50    (#   3118:25  Unique         3.74, 6.53 A)
 &rst
  ixpk= 3118, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 903, 904,
 igr2= 945, 946, 947, 949, 950, 951,
 &end
#
#   26 PHE  HA           50 VAL  MGX         5.50    (#   3125:25  Unique         4.39, 6.56 A)
 &rst
  ixpk= 3125, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   49 LYS  HA           50 VAL  MGX         4.50    (#   3126:25  Unique         3.03, 5.44 A)
 &rst
  ixpk= 3126, nxpk= 25, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   52 GLU  HA           50 VAL  MGX         5.50    (#   3127:25  Unique         3.44, 6.20 A)
 &rst
  ixpk= 3127, nxpk= 25, iat= 800,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   50 VAL  HA           50 VAL  MGX         3.50    (#   3128:25  Unique         2.48, 3.31 A)
 &rst
  ixpk= 3128, nxpk= 25, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   77 ASN  HD2-         66 LEU  MDX         5.50    (#   3131:25  Unique         2.18, 5.24 A)
 &rst
  ixpk= 3131, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1168,1169,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   25 VAL  HA           78 VAL  MGX         4.50    (#   3135:25  Unique         2.86, 4.36 A)
 &rst
  ixpk= 3135, nxpk= 25, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#   26 PHE  HA           75 VAL  MGY         5.50    (#   3137:25  Unique         4.81, 7.13 A)
 &rst
  ixpk= 3137, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   48 TYR  HA           23 VAL  MGX         4.50    (#   3141:25  Unique         3.55, 4.48 A)
 &rst
  ixpk= 3141, nxpk= 25, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  25-2:3142    23 VAL  MGX         3.50    (#   3142:25  Single Ambig)
 &rst
  ixpk= 3142, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 334,1211,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   27 SER  HA           50 VAL  MGY         5.50    (#   3143:25  Unique         5.16, 7.52 A)
 &rst
  ixpk= 3143, nxpk= 25, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 772, 773, 774, 776, 777, 778,
 &end
#
#   26 PHE  HA           17 LEU  MDX         5.50    (#   3144:25  Unique         5.77, 7.53 A)
 &rst
  ixpk= 3144, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 266, 267, 268, 270, 271, 272,
 &end
#
#   26 PHE  HA           75 VAL  MGY         5.50    (#   3146:25  Unique         4.81, 7.13 A)
 &rst
  ixpk= 3146, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   74 THR  HA           75 VAL  MGY         5.50    (#   3148:25  Unique         3.33, 4.72 A)
 &rst
  ixpk= 3148, nxpk= 25, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  25-2:3149     0 AMB  25-1:3149   4.50    (#   3149:25  Double Ambig)
 &rst
  ixpk= 3149, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 746, 366,
 igr2= 772, 773, 774, 776, 777, 778, 354, 355, 356, 358,
       359, 360,
 &end
#
#    0 AMB  25-2:3150     0 AMB  25-1:3150   4.50    (#   3150:25  Double Ambig)
 &rst
  ixpk= 3150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 800,1211,
 igr2= 772, 773, 774, 776, 777, 778, 354, 355, 356, 358,
       359, 360,
 &end
#
#    0 AMB  25-2:3151     0 AMB  25-1:3151   4.50    (#   3151:25  Double Ambig)
 &rst
  ixpk= 3151, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1= 334, 382, 891,
 igr2= 354, 355, 356, 358, 359, 360, 772, 773, 774, 776,
       777, 778, 868, 869, 870, 872, 873, 874,
 &end
#
#   76 PRO  HA           75 VAL  MGY         3.50    (#   3153:25  Unique         2.94, 4.37 A)
 &rst
  ixpk= 3153, nxpk= 25, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  25-2:3155     0 AMB  25-1:3155   5.50    (#   3155:25  Double Ambig)
 &rst
  ixpk= 3155, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1=1117, 366,1302,1303,
 igr2=1135,1136,1137,1139,1140,1141, 561, 562, 563, 565,
       566, 567,1357,1358,1359,1361,1362,1363,
 &end
#
#   46 ALA  HA           41 LEU  MDX         5.50    (#   3156:25  Unique         5.16, 7.15 A)
 &rst
  ixpk= 3156, nxpk= 25, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   52 GLU  HA           29 THR  MG2         5.50    (#   3158:25  Unique         4.34, 5.39 A)
 &rst
  ixpk= 3158, nxpk= 25, iat= 800,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 439, 440, 441,
 &end
#
#   30 TYR  HA           29 THR  MG2         5.50    (#   3160:25  Unique         6.19, 6.62 A)
 &rst
  ixpk= 3160, nxpk= 25, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 439, 440, 441,
 &end
#
#   74 THR  HA           74 THR  MG2         3.50    (#   3168:25  Unique         2.34, 2.96 A)
 &rst
  ixpk= 3168, nxpk= 25, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1121,1122,1123,
 &end
#
#   26 PHE  HA           51 VAL  MGY         4.50    (#   3170:25  Unique         3.20, 4.59 A)
 &rst
  ixpk= 3170, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:3171    23 VAL  MGY         5.50    (#   3171:25  Single Ambig)
 &rst
  ixpk= 3171, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 704, 366,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   50 VAL  HA           51 VAL  MGY         5.50    (#   3173:25  Unique         3.21, 5.47 A)
 &rst
  ixpk= 3173, nxpk= 25, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   48 TYR  HA           23 VAL  MGY         4.50    (#   3174:25  Unique         3.55, 4.48 A)
 &rst
  ixpk= 3174, nxpk= 25, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  25-2:3175    23 VAL  MGY         3.50    (#   3175:25  Single Ambig)
 &rst
  ixpk= 3175, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 334,1211,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   48 TYR  HA           25 VAL  MGY         5.50    (#   3177:25  Unique         4.81, 7.48 A)
 &rst
  ixpk= 3177, nxpk= 25, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   25 VAL  HA           25 VAL  MGY         3.50    (#   3178:25  Unique         2.44, 3.17 A)
 &rst
  ixpk= 3178, nxpk= 25, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   77 ASN  HD2-         70 THR  MG2         4.50    (#   3179:25  Unique         2.11, 4.12 A)
 &rst
  ixpk= 3179, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1168,1169,
 igr2=1069,1070,1071,
 &end
#
#    0 AMB  25-2:3181    25 VAL  MGY         5.50    (#   3181:25  Single Ambig)
 &rst
  ixpk= 3181, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 382, 334,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   27 SER  HA           25 VAL  MGX         4.50    (#   3185:25  Unique         4.12, 6.71 A)
 &rst
  ixpk= 3185, nxpk= 25, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   25 VAL  HA            0 AMB  25-1:3186   3.50    (#   3186:25  Single Ambig)
 &rst
  ixpk= 3186, nxpk= 25, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   79 PHE  HA           78 VAL  MGY         5.50    (#   3187:25  Unique         3.89, 5.90 A)
 &rst
  ixpk= 3187, nxpk= 25, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  25-2:3188     0 AMB  25-1:3188   4.50    (#   3188:25  Double Ambig)
 &rst
  ixpk= 3188, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 382, 334,
 igr2= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   48 TYR  HA           21 ALA  MB          5.50    (#   3190:25  Unique         3.10, 4.01 A)
 &rst
  ixpk= 3190, nxpk= 25, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 312, 313, 314,
 &end
#
#   23 VAL  HA           21 ALA  MB          5.50    (#   3191:25  Unique         5.15, 5.85 A)
 &rst
  ixpk= 3191, nxpk= 25, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 312, 313, 314,
 &end
#
#   21 ALA  HA           21 ALA  MB          2.50    (#   3192:25  Unique         2.46, 2.69 A)
 &rst
  ixpk= 3192, nxpk= 25, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 312, 313, 314,
 &end
#
#   46 ALA  HA           46 ALA  MB          2.50    (#   3194:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 3194, nxpk= 25, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 706, 707, 708,
 &end
#
#   26 PHE  HA           24 VAL  MGX         5.50    (#   3197:25  Unique         4.30, 6.80 A)
 &rst
  ixpk= 3197, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  25-2:3199    24 VAL  MGX         5.50    (#   3199:25  Single Ambig)
 &rst
  ixpk= 3199, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 366, 746,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#   46 ALA  HA           44 VAL  MGX         5.50    (#   3205:25  Unique         3.90, 6.24 A)
 &rst
  ixpk= 3205, nxpk= 25, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   26 PHE  HA           51 VAL  MGX         4.50    (#   3206:25  Unique         3.20, 4.59 A)
 &rst
  ixpk= 3206, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  25-2:3207    51 VAL  MGX         4.50    (#   3207:25  Single Ambig)
 &rst
  ixpk= 3207, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 768, 350,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   95 HIS  HA           44 VAL  MGX         5.50    (#   3208:25  Unique         4.64, 6.69 A)
 &rst
  ixpk= 3208, nxpk= 25, iat=1422,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#    0 AMB  25-2:3209    51 VAL  MGX         5.50    (#   3209:25  Single Ambig)
 &rst
  ixpk= 3209, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 366, 746,
 igr2= 788, 789, 790, 792, 793, 794,
 &end
#
#   80 ILE  HA          107 ALA  MB          4.50    (#   3210:25  Unique         4.43, 4.89 A)
 &rst
  ixpk= 3210, nxpk= 25, iat=1211,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1630,1631,1632,
 &end
#
#  113 ASN  HA          114 PRO  HD-         3.50    (#   3213:25  Unique         2.11, 2.54 A)
 &rst
  ixpk= 3213, nxpk= 25, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1717,1718,
 &end
#
#  113 ASN  HA          114 PRO  HD+         3.50    (#   3214:25  Unique         2.11, 2.54 A)
 &rst
  ixpk= 3214, nxpk= 25, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1717,1718,
 &end
#
#   21 ALA  HA           22 PRO  HD-         3.50    (#   3215:25  Unique         2.51, 2.56 A)
 &rst
  ixpk= 3215, nxpk= 25, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 319, 320,
 &end
#
#   21 ALA  HA           22 PRO  HD+         3.50    (#   3216:25  Unique         2.51, 2.56 A)
 &rst
  ixpk= 3216, nxpk= 25, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 319, 320,
 &end
#
#   76 PRO  HA           75 VAL  MGX         3.50    (#   3221:25  Unique         2.94, 4.37 A)
 &rst
  ixpk= 3221, nxpk= 25, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   74 THR  HA           75 VAL  MGX         4.50    (#   3224:25  Unique         3.33, 4.72 A)
 &rst
  ixpk= 3224, nxpk= 25, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  25-2:3226    18 ALA  MB          5.50    (#   3226:25  Single Ambig)
 &rst
  ixpk= 3226, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 288,1244,
 igr2= 280, 281, 282,
 &end
#
#   79 PHE  HA           80 ILE  MG2         5.50    (#   3227:25  Unique         6.49, 6.66 A)
 &rst
  ixpk= 3227, nxpk= 25, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1215,1216,1217,
 &end
#
#   80 ILE  HA           80 ILE  MG2         3.50    (#   3229:25  Unique         2.47, 3.17 A)
 &rst
  ixpk= 3229, nxpk= 25, iat=1211,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1215,1216,1217,
 &end
#
#   79 PHE  HA           85 ILE  MG2         5.50    (#   3230:25  Unique         5.68, 6.02 A)
 &rst
  ixpk= 3230, nxpk= 25, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1287,1288,1289,
 &end
#
#    0 AMB  25-2:3233     0 AMB  25-1:3233   5.50    (#   3233:25  Double Ambig)
 &rst
  ixpk= 3233, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1211, 334,
 igr2=1230,1231,1230,1231,
 &end
#
#    0 AMB  25-2:3234    80 ILE  MD1         4.50    (#   3234:25  Single Ambig)
 &rst
  ixpk= 3234, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1211, 334,
 igr2=1222,1223,1224,
 &end
#
#   79 PHE  HA           80 ILE  MD1         5.50    (#   3235:25  Unique         5.76, 6.26 A)
 &rst
  ixpk= 3235, nxpk= 25, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1222,1223,1224,
 &end
#
#   19 SER  HA           82 GLY  HA+         4.50    (#   3236:25  Unique         2.90, 3.60 A)
 &rst
  ixpk= 3236, nxpk= 25, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1237,1238,
 &end
#
#    0 AMB  25-2:3239    73 GLY  HA-         5.50    (#   3239:25  Single Ambig)
 &rst
  ixpk= 3239, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1117,1086,
 igr2=1110,1111,
 &end
#
#   19 SER  HA           82 GLY  HA-         5.50    (#   3241:25  Unique         2.90, 3.60 A)
 &rst
  ixpk= 3241, nxpk= 25, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1237,1238,
 &end
#
#    0 AMB  25-2:3248     0 AMB  25-1:3248   4.50    (#   3248:25  Double Ambig)
 &rst
  ixpk= 3248, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 903, 904, 861,
 igr2= 863, 864, 863, 864,
 &end
#
#    0 AMB  25-2:3249    56 LEU  HB-         4.50    (#   3249:25  Single Ambig)
 &rst
  ixpk= 3249, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 903, 904, 861,
 igr2= 863, 864,
 &end
#
#   79 PHE  HA           79 PHE  HB+         5.50    (#   3250:25  Unique         2.54, 2.81 A)
 &rst
  ixpk= 3250, nxpk= 25, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1193,1194,
 &end
#
#   79 PHE  HA           79 PHE  HB-         5.50    (#   3254:25  Unique         2.54, 2.81 A)
 &rst
  ixpk= 3254, nxpk= 25, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1193,1194,
 &end
#
#   95 HIS  HA          100 LEU  HB+         5.50    (#   3255:25  Unique         2.26, 2.69 A)
 &rst
  ixpk= 3255, nxpk= 25, iat=1422,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1511,1512,
 &end
#
#   83 LYS  HA           83 LYS  QE          5.50    (#   3257:25  Unique         4.42, 5.13 A)
 &rst
  ixpk= 3257, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1255,1256,
 &end
#
#    0 AMB  25-2:3259    72 ARG  HD-         4.50    (#   3259:25  Single Ambig)
 &rst
  ixpk= 3259, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1086,1302,1303,
 igr2=1094,1095,
 &end
#
#   80 ILE  HA           80 ILE  HB          5.50    (#   3266:25  Unique         3.05, 3.05 A)
 &rst
  ixpk= 3266, nxpk= 25, iat=1211,1213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 PHE  HA           85 ILE  MD1         5.50    (#   3268:25  Unique         2.87, 4.71 A)
 &rst
  ixpk= 3268, nxpk= 25, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1294,1295,1296,
 &end
#
#    0 AMB  25-2:3269    85 ILE  MD1         5.50    (#   3269:25  Single Ambig)
 &rst
  ixpk= 3269, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1211, 334,
 igr2=1294,1295,1296,
 &end
#
#   48 TYR  HA           48 TYR  HB+         4.50    (#   3270:25  Unique         2.37, 2.44 A)
 &rst
  ixpk= 3270, nxpk= 25, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 727, 728,
 &end
#
#   48 TYR  HA           48 TYR  HB-         4.50    (#   3271:25  Unique         2.37, 2.44 A)
 &rst
  ixpk= 3271, nxpk= 25, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 727, 728,
 &end
#
#   77 ASN  HA           77 ASN  HB+         5.50    (#   3272:25  Unique         2.47, 2.80 A)
 &rst
  ixpk= 3272, nxpk= 25, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1163,1164,
 &end
#
#  106 ASP  HA          106 ASP  HB+         3.50    (#   3273:25  Unique         2.39, 2.73 A)
 &rst
  ixpk= 3273, nxpk= 25, iat=1616,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1618,1619,
 &end
#
#   77 ASN  HA           77 ASN  HB-         5.50    (#   3274:25  Unique         2.47, 2.80 A)
 &rst
  ixpk= 3274, nxpk= 25, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1163,1164,
 &end
#
#  106 ASP  HA          106 ASP  HB-         3.50    (#   3275:25  Unique         2.39, 2.73 A)
 &rst
  ixpk= 3275, nxpk= 25, iat=1616,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1618,1619,
 &end
#
#   77 ASN  HA           77 ASN  HB-         5.50    (#   3276:25  Unique         2.47, 2.80 A)
 &rst
  ixpk= 3276, nxpk= 25, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1163,1164,
 &end
#
#   74 THR  HA           74 THR  HB          3.50    (#   3279:25  Unique         2.56, 2.67 A)
 &rst
  ixpk= 3279, nxpk= 25, iat=1117,1119, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 ASP  HA           54 ASP  HB+         3.50    (#   3280:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 3280, nxpk= 25, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 836, 837,
 &end
#
#  113 ASN  HA          113 ASN  HB-         3.50    (#   3281:25  Unique         2.30, 2.71 A)
 &rst
  ixpk= 3281, nxpk= 25, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1706,1707,
 &end
#
#  113 ASN  HA          113 ASN  HB+         4.50    (#   3282:25  Unique         2.30, 2.71 A)
 &rst
  ixpk= 3282, nxpk= 25, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1706,1707,
 &end
#
#   54 ASP  HA           54 ASP  HB-         3.50    (#   3284:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 3284, nxpk= 25, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 836, 837,
 &end
#
#   58 ASP  HA           58 ASP  HB-         3.50    (#   3285:25  Unique         2.30, 2.68 A)
 &rst
  ixpk= 3285, nxpk= 25, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 893, 894,
 &end
#
#   58 ASP  HA           58 ASP  HB+         3.50    (#   3286:25  Unique         2.30, 2.68 A)
 &rst
  ixpk= 3286, nxpk= 25, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 893, 894,
 &end
#
#   30 TYR  HA           30 TYR  HB-         3.50    (#   3288:25  Unique         2.40, 2.43 A)
 &rst
  ixpk= 3288, nxpk= 25, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 451, 452,
 &end
#
#   30 TYR  HA           30 TYR  HB+         4.50    (#   3289:25  Unique         2.40, 2.43 A)
 &rst
  ixpk= 3289, nxpk= 25, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 451, 452,
 &end
#
#   98 ASN  HA           98 ASN  HB+         3.50    (#   3293:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 3293, nxpk= 25, iat=1480,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1482,1483,
 &end
#
#   98 ASN  HA           98 ASN  HB-         3.50    (#   3294:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 3294, nxpk= 25, iat=1480,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1482,1483,
 &end
#
#   55 GLU  HA           55 GLU  HG+         3.50    (#   3295:25  Unique         2.42, 3.15 A)
 &rst
  ixpk= 3295, nxpk= 25, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 851, 852,
 &end
#
#   55 GLU  HA           55 GLU  HG-         3.50    (#   3296:25  Unique         2.42, 3.15 A)
 &rst
  ixpk= 3296, nxpk= 25, iat= 846,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 851, 852,
 &end
#
#   49 LYS  HA           49 LYS  HB+         4.50    (#   3299:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 3299, nxpk= 25, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 748, 749,
 &end
#
#   49 LYS  HA           49 LYS  HB-         4.50    (#   3301:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 3301, nxpk= 25, iat= 746,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 748, 749,
 &end
#
#   76 PRO  HA           76 PRO  HB+         5.50    (#   3302:25  Unique         2.29, 2.54 A)
 &rst
  ixpk= 3302, nxpk= 25, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1152,1153,
 &end
#
#   76 PRO  HA           76 PRO  HB-         5.50    (#   3303:25  Unique         2.29, 2.54 A)
 &rst
  ixpk= 3303, nxpk= 25, iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1152,1153,
 &end
#
#   48 TYR  HA           23 VAL  HB          3.50    (#   3307:25  Unique         2.10, 2.22 A)
 &rst
  ixpk= 3307, nxpk= 25, iat= 725, 336, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:3308    22 PRO  HA          5.50    (#   3308:25  Single Ambig)
 &rst
  ixpk= 3308, nxpk= 25, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 310, 288,
 &end
#
#   50 VAL  HA           25 VAL  HB          3.50    (#   3310:25  Unique         2.39, 2.61 A)
 &rst
  ixpk= 3310, nxpk= 25, iat= 768, 368, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 VAL  HA           25 VAL  HB          5.50    (#   3311:25  Unique         3.02, 3.04 A)
 &rst
  ixpk= 3311, nxpk= 25, iat= 366, 368, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 SER  HA           27 SER  HB+         5.50    (#   3312:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 3312, nxpk= 25, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 404, 405,
 &end
#
#   27 SER  HA           27 SER  HB-         5.50    (#   3314:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 3314, nxpk= 25, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 404, 405,
 &end
#
#   50 VAL  HA           50 VAL  HB          3.50    (#   3316:25  Unique         2.26, 2.82 A)
 &rst
  ixpk= 3316, nxpk= 25, iat= 768, 770, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  25-2:3317    50 VAL  HB          4.50    (#   3317:25  Single Ambig)
 &rst
  ixpk= 3317, nxpk= 25, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 746, 366,
 &end
#
#   83 LYS  HA           83 LYS  QB          3.50    (#   3318:25  Unique         2.37, 2.69 A)
 &rst
  ixpk= 3318, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1246,1247,
 &end
#
#    0 AMB  25-2:3319    22 PRO  HA          5.50    (#   3319:25  Single Ambig)
 &rst
  ixpk= 3319, nxpk= 25, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 310, 288,
 &end
#
#    0 AMB  25-2:3323    51 VAL  HB          5.50    (#   3323:25  Single Ambig)
 &rst
  ixpk= 3323, nxpk= 25, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 768, 350,
 &end
#
#    3 SER  HA            3 SER  HB-         3.50    (#   3325:25  Unique         2.33, 2.69 A)
 &rst
  ixpk= 3325, nxpk= 25, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  35,  36,
 &end
#
#    3 SER  HA            3 SER  HB+         3.50    (#   3327:25  Unique         2.33, 2.69 A)
 &rst
  ixpk= 3327, nxpk= 25, iat=  33,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  35,  36,
 &end
#
#   26 PHE  HA           51 VAL  HB          4.50    (#   3329:25  Unique         2.12, 2.36 A)
 &rst
  ixpk= 3329, nxpk= 25, iat= 382, 786, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 SER  HA           19 SER  HB+         3.50    (#   3334:25  Unique         2.36, 2.68 A)
 &rst
  ixpk= 3334, nxpk= 25, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 290, 291,
 &end
#
#   19 SER  HA           19 SER  HB-         3.50    (#   3335:25  Unique         2.36, 2.68 A)
 &rst
  ixpk= 3335, nxpk= 25, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 290, 291,
 &end
#
#   76 PRO  HA           75 VAL  HB          3.50    (#   3336:25  Unique         2.26, 2.38 A)
 &rst
  ixpk= 3336, nxpk= 25, iat=1155,1133, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 VAL  MGY          76 PRO  HA          3.50    (#   3337:25  Unique         2.94, 4.37 A)
 &rst
  ixpk= 3337, nxpk= 25, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  25-2:3338    76 PRO  HA          4.50    (#   3338:25  Single Ambig)
 &rst
  ixpk= 3338, nxpk= 25, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1152,1153,1149,1150,
 &end
#
#   75 VAL  HB           76 PRO  HA          4.50    (#   3339:25  Unique         2.26, 2.38 A)
 &rst
  ixpk= 3339, nxpk= 25, iat=1133,1155, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 PRO  HB+          76 PRO  HA          4.50    (#   3340:25  Unique         2.29, 2.54 A)
 &rst
  ixpk= 3340, nxpk= 25, iat=  -1,1155, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1152,1153,
 &end
#
#   75 VAL  HA           76 PRO  HA          4.50    (#   3341:25  Unique         2.22, 2.37 A)
 &rst
  ixpk= 3341, nxpk= 25, iat=1131,1155, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 ASN  HN           76 PRO  HA          4.50    (#   3343:25  Unique         2.30, 2.34 A)
 &rst
  ixpk= 3343, nxpk= 25, iat=1159,1155, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:3344    25 VAL  HA          3.50    (#   3344:25  Single Ambig)
 &rst
  ixpk= 3344, nxpk= 25, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   78 VAL  MGX          25 VAL  HA          4.50    (#   3345:25  Unique         2.86, 4.36 A)
 &rst
  ixpk= 3345, nxpk= 25, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1179,1180,1181,1183,1184,1185,
 &end
#
#   25 VAL  MGY          25 VAL  HA          3.50    (#   3346:25  Unique         2.44, 3.17 A)
 &rst
  ixpk= 3346, nxpk= 25, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:3347    25 VAL  HA          3.50    (#   3347:25  Single Ambig)
 &rst
  ixpk= 3347, nxpk= 25, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 380, 364,
 &end
#
#   24 VAL  HN           23 VAL  HA          3.50    (#   3348:25  Unique         2.25, 2.27 A)
 &rst
  ixpk= 3348, nxpk= 25, iat= 348, 334, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 GLY  HN           80 ILE  HA          3.50    (#   3349:25  Unique         2.21, 2.24 A)
 &rst
  ixpk= 3349, nxpk= 25, iat=1228,1211, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 VAL  MGX          23 VAL  HA          3.50    (#   3350:25  Unique         2.47, 3.20 A)
 &rst
  ixpk= 3350, nxpk= 25, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   23 VAL  MGY          23 VAL  HA          2.50    (#   3351:25  Unique         2.47, 3.20 A)
 &rst
  ixpk= 3351, nxpk= 25, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   80 ILE  HG1-         80 ILE  HA          3.50    (#   3352:25  Unique         2.47, 2.83 A)
 &rst
  ixpk= 3352, nxpk= 25, iat=  -1,1211, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1219,1220,
 &end
#
#   74 THR  MG2          74 THR  HA          3.50    (#   3353:25  Unique         2.34, 2.96 A)
 &rst
  ixpk= 3353, nxpk= 25, iat=  -1,1117, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1121,1122,1123,
 &end
#
#    0 AMB  25-2:3354    74 THR  HA          4.50    (#   3354:25  Single Ambig)
 &rst
  ixpk= 3354, nxpk= 25, iat=  -1,1117, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1135,1136,1137,1139,1140,1141,1135,1136,1137,1139,
      1140,1141,
 &end
#
#   74 THR  HB           74 THR  HA          3.50    (#   3355:25  Unique         2.56, 2.67 A)
 &rst
  ixpk= 3355, nxpk= 25, iat=1119,1117, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 VAL  MGX          26 PHE  HA          5.50    (#   3356:25  Unique         3.20, 4.59 A)
 &rst
  ixpk= 3356, nxpk= 25, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#   25 VAL  MGX          26 PHE  HA          5.50    (#   3357:25  Unique         4.33, 6.25 A)
 &rst
  ixpk= 3357, nxpk= 25, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#    0 AMB  25-2:3358    26 PHE  HA          3.50    (#   3358:25  Single Ambig)
 &rst
  ixpk= 3358, nxpk= 25, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 822, 823, 824, 826, 827, 828, 788, 789, 790, 792,
       793, 794, 354, 355, 356, 358, 359, 360,
 &end
#
#   51 VAL  HB           26 PHE  HA          4.50    (#   3359:25  Unique         2.12, 2.36 A)
 &rst
  ixpk= 3359, nxpk= 25, iat= 786, 382, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 PHE  HB-          26 PHE  HA          5.50    (#   3360:25  Unique         2.46, 2.76 A)
 &rst
  ixpk= 3360, nxpk= 25, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 384, 385,
 &end
#
#   77 ASN  HB+          26 PHE  HA          5.50    (#   3361:25  Unique         5.04, 5.75 A)
 &rst
  ixpk= 3361, nxpk= 25, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1163,1164,
 &end
#
#   26 PHE  HD           26 PHE  HA          4.50    (#   3363:25  Unique         2.74, 3.55 A)
 &rst
  ixpk= 3363, nxpk= 25, iat=  -1, 382, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 388, 396,
 &end
#
#   51 VAL  HN           26 PHE  HA          5.50    (#   3364:25  Unique         2.83, 2.97 A)
 &rst
  ixpk= 3364, nxpk= 25, iat= 782, 382, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 SER  HN           26 PHE  HA          3.50    (#   3365:25  Unique         2.16, 2.22 A)
 &rst
  ixpk= 3365, nxpk= 25, iat= 400, 382, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    4 LYS  HN            3 SER  HA          3.50    (#   3366:25  Unique         2.23, 3.03 A)
 &rst
  ixpk= 3366, nxpk= 25, iat=  42,  33, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 SER  HN           47 SER  HA          4.50    (#   3367:25  Unique         2.92, 2.95 A)
 &rst
  ixpk= 3367, nxpk= 25, iat= 712, 714, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 TYR  HN           47 SER  HA          2.50    (#   3368:25  Unique         2.26, 2.31 A)
 &rst
  ixpk= 3368, nxpk= 25, iat= 723, 714, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   19 SER  HN           19 SER  HA          4.50    (#   3369:25  Unique         2.94, 2.98 A)
 &rst
  ixpk= 3369, nxpk= 25, iat= 286, 288, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 SER  HB+           3 SER  HA          2.50    (#   3370:25  Unique         2.33, 2.69 A)
 &rst
  ixpk= 3370, nxpk= 25, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=  35,  36,
 &end
#
#    3 SER  HB-           3 SER  HA          2.50    (#   3371:25  Unique         2.33, 2.69 A)
 &rst
  ixpk= 3371, nxpk= 25, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=  35,  36,
 &end
#
#    0 AMB  25-2:3372    47 SER  HA          2.50    (#   3372:25  Single Ambig)
 &rst
  ixpk= 3372, nxpk= 25, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 716, 717, 716, 717,
 &end
#
#   19 SER  HB-          19 SER  HA          3.50    (#   3373:25  Unique         2.36, 2.68 A)
 &rst
  ixpk= 3373, nxpk= 25, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 290, 291,
 &end
#
#   19 SER  HB+          19 SER  HA          3.50    (#   3374:25  Unique         2.36, 2.68 A)
 &rst
  ixpk= 3374, nxpk= 25, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 290, 291,
 &end
#
#   82 GLY  HA-          19 SER  HA          4.50    (#   3375:25  Unique         2.90, 3.60 A)
 &rst
  ixpk= 3375, nxpk= 25, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1237,1238,
 &end
#
#   82 GLY  HA+          19 SER  HA          5.50    (#   3376:25  Unique         2.90, 3.60 A)
 &rst
  ixpk= 3376, nxpk= 25, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1237,1238,
 &end
#
#    0 AMB  25-2:3377    55 GLU  HA          2.50    (#   3377:25  Single Ambig)
 &rst
  ixpk= 3377, nxpk= 25, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 848, 849, 851, 852,
 &end
#
#   55 GLU  HG-          55 GLU  HA          3.50    (#   3378:25  Unique         2.42, 3.15 A)
 &rst
  ixpk= 3378, nxpk= 25, iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 851, 852,
 &end
#
#  106 ASP  HB-         106 ASP  HA          2.50    (#   3379:25  Unique         2.39, 2.73 A)
 &rst
  ixpk= 3379, nxpk= 25, iat=  -1,1616, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1618,1619,
 &end
#
#    0 AMB  25-2:3380   106 ASP  HA          5.50    (#   3380:25  Single Ambig)
 &rst
  ixpk= 3380, nxpk= 25, iat=  -1,1616, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1640,1641,1642,1630,1631,1632,
 &end
#
#   79 PHE  HD           79 PHE  HA          5.50    (#   3381:25  Unique         3.42, 3.64 A)
 &rst
  ixpk= 3381, nxpk= 25, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1197,1205,
 &end
#
#   80 ILE  HN           79 PHE  HA          3.50    (#   3382:25  Unique         2.25, 2.26 A)
 &rst
  ixpk= 3382, nxpk= 25, iat=1209,1191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   85 ILE  HN           79 PHE  HA          4.50    (#   3383:25  Unique         2.60, 2.73 A)
 &rst
  ixpk= 3383, nxpk= 25, iat=1281,1191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   85 ILE  MD1          79 PHE  HA          4.50    (#   3384:25  Unique         2.87, 4.71 A)
 &rst
  ixpk= 3384, nxpk= 25, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1294,1295,1296,
 &end
#
#   85 ILE  HG1-         79 PHE  HA          4.50    (#   3385:25  Unique         2.33, 3.29 A)
 &rst
  ixpk= 3385, nxpk= 25, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1291,1292,
 &end
#
#   84 GLN  HA           79 PHE  HA          4.50    (#   3386:25  Unique         2.23, 2.44 A)
 &rst
  ixpk= 3386, nxpk= 25, iat=1266,1191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 PHE  HB-          79 PHE  HA          5.50    (#   3387:25  Unique         2.54, 2.81 A)
 &rst
  ixpk= 3387, nxpk= 25, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#    0 AMB  25-2:3388    27 SER  HA          3.50    (#   3388:25  Single Ambig)
 &rst
  ixpk= 3388, nxpk= 25, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1135,1136,1137,1139,1140,1141,1135,1136,1137,1139,
      1140,1141,
 &end
#
#   75 VAL  HB           27 SER  HA          4.50    (#   3389:25  Unique         2.04, 2.20 A)
 &rst
  ixpk= 3389, nxpk= 25, iat=1133, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 SER  HB+          27 SER  HA          4.50    (#   3390:25  Unique         2.32, 2.66 A)
 &rst
  ixpk= 3390, nxpk= 25, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 404, 405,
 &end
#
#   28 LYS  HN           27 SER  HA          4.50    (#   3391:25  Unique         2.58, 2.68 A)
 &rst
  ixpk= 3391, nxpk= 25, iat= 411, 402, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 SER  HN           27 SER  HA          5.50    (#   3392:25  Unique         2.91, 2.95 A)
 &rst
  ixpk= 3392, nxpk= 25, iat= 400, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 VAL  MGY          48 TYR  HA          5.50    (#   3393:25  Unique         4.81, 7.48 A)
 &rst
  ixpk= 3393, nxpk= 25, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   23 VAL  MGX          48 TYR  HA          4.50    (#   3394:25  Unique         3.55, 4.48 A)
 &rst
  ixpk= 3394, nxpk= 25, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   23 VAL  MGY          48 TYR  HA          4.50    (#   3395:25  Unique         3.55, 4.48 A)
 &rst
  ixpk= 3395, nxpk= 25, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#    0 AMB  25-2:3396    48 TYR  HA          4.50    (#   3396:25  Single Ambig)
 &rst
  ixpk= 3396, nxpk= 25, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 312, 313, 314, 706, 707, 708,
 &end
#
#   23 VAL  HB           48 TYR  HA          3.50    (#   3397:25  Unique         2.10, 2.22 A)
 &rst
  ixpk= 3397, nxpk= 25, iat= 336, 725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 TYR  HB-          48 TYR  HA          4.50    (#   3398:25  Unique         2.37, 2.44 A)
 &rst
  ixpk= 3398, nxpk= 25, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 727, 728,
 &end
#
#   48 TYR  HB+          48 TYR  HA          3.50    (#   3399:25  Unique         2.37, 2.44 A)
 &rst
  ixpk= 3399, nxpk= 25, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 727, 728,
 &end
#
#   48 TYR  HD           48 TYR  HA          4.50    (#   3400:25  Unique         4.16, 4.27 A)
 &rst
  ixpk= 3400, nxpk= 25, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 731, 740,
 &end
#
#   23 VAL  HN           48 TYR  HA          5.50    (#   3401:25  Unique         2.89, 3.04 A)
 &rst
  ixpk= 3401, nxpk= 25, iat= 332, 725, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 TYR  HN           48 TYR  HA          5.50    (#   3402:25  Unique         2.90, 2.93 A)
 &rst
  ixpk= 3402, nxpk= 25, iat= 723, 725, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HN           48 TYR  HA          3.50    (#   3403:25  Unique         2.21, 2.33 A)
 &rst
  ixpk= 3403, nxpk= 25, iat= 744, 725, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   98 ASN  HN           98 ASN  HA          2.50    (#   3404:25  Unique         2.19, 2.21 A)
 &rst
  ixpk= 3404, nxpk= 25, iat=1478,1480, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   99 GLU  HN           98 ASN  HA          4.50    (#   3405:25  Unique         2.56, 2.69 A)
 &rst
  ixpk= 3405, nxpk= 25, iat=1492,1480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 ASP  HN           54 ASP  HA          4.50    (#   3406:25  Unique         2.82, 2.85 A)
 &rst
  ixpk= 3406, nxpk= 25, iat= 832, 834, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 LEU  HN           98 ASN  HA          4.50    (#   3407:25  Unique         3.33, 3.59 A)
 &rst
  ixpk= 3407, nxpk= 25, iat=1507,1480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 TYR  HD           30 TYR  HA          4.50    (#   3408:25  Unique         4.13, 4.23 A)
 &rst
  ixpk= 3408, nxpk= 25, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 455, 464,
 &end
#
#   98 ASN  HB+          98 ASN  HA          2.50    (#   3409:25  Unique         2.37, 2.72 A)
 &rst
  ixpk= 3409, nxpk= 25, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1482,1483,
 &end
#
#   54 ASP  HB-          54 ASP  HA          2.50    (#   3410:25  Unique         2.42, 2.76 A)
 &rst
  ixpk= 3410, nxpk= 25, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 836, 837,
 &end
#
#   30 TYR  HB-          30 TYR  HA          4.50    (#   3411:25  Unique         2.40, 2.43 A)
 &rst
  ixpk= 3411, nxpk= 25, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 451, 452,
 &end
#
#    0 AMB  25-2:3412    98 ASN  HA          5.50    (#   3412:25  Single Ambig)
 &rst
  ixpk= 3412, nxpk= 25, iat=  -1,1480, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1458,1459,1461,1462,
 &end
#
#   49 LYS  HG+          49 LYS  HA          4.50    (#   3413:25  Unique         2.46, 2.96 A)
 &rst
  ixpk= 3413, nxpk= 25, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 751, 752,
 &end
#
#   49 LYS  HG-          49 LYS  HA          3.50    (#   3414:25  Unique         2.46, 2.96 A)
 &rst
  ixpk= 3414, nxpk= 25, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 751, 752,
 &end
#
#   49 LYS  HB-          49 LYS  HA          3.50    (#   3415:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 3415, nxpk= 25, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 748, 749,
 &end
#
#   53 LEU  HN           52 GLU  HA          3.50    (#   3416:25  Unique         2.11, 2.20 A)
 &rst
  ixpk= 3416, nxpk= 25, iat= 813, 800, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 GLU  HN           52 GLU  HA          4.50    (#   3417:25  Unique         2.86, 2.93 A)
 &rst
  ixpk= 3417, nxpk= 25, iat= 798, 800, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:3418    52 GLU  HA          3.50    (#   3418:25  Single Ambig)
 &rst
  ixpk= 3418, nxpk= 25, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 805, 806, 802, 803,
 &end
#
#   52 GLU  HB-          52 GLU  HA          4.50    (#   3419:25  Unique         2.39, 2.76 A)
 &rst
  ixpk= 3419, nxpk= 25, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 802, 803,
 &end
#
#    0 AMB  25-2:3420    52 GLU  HA          4.50    (#   3420:25  Single Ambig)
 &rst
  ixpk= 3420, nxpk= 25, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 772, 773, 774, 776, 777, 778, 822, 823, 824, 826,
       827, 828, 788, 789, 790, 792, 793, 794,
 &end
#
#   46 ALA  MB           46 ALA  HA          2.50    (#   3421:25  Unique         2.43, 2.67 A)
 &rst
  ixpk= 3421, nxpk= 25, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 706, 707, 708,
 &end
#
#    0 AMB  25-2:3422    58 ASP  HA          2.50    (#   3422:25  Single Ambig)
 &rst
  ixpk= 3422, nxpk= 25, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 893, 894, 926, 927,
 &end
#
#   58 ASP  HB-          58 ASP  HA          3.50    (#   3423:25  Unique         2.30, 2.68 A)
 &rst
  ixpk= 3423, nxpk= 25, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 893, 894,
 &end
#
#    0 AMB  25-2:3425    46 ALA  HA          4.50    (#   3425:25  Single Ambig)
 &rst
  ixpk= 3425, nxpk= 25, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 716, 717, 716, 717, 631,
 &end
#
#   47 SER  HN           46 ALA  HA          2.50    (#   3426:25  Unique         2.17, 2.20 A)
 &rst
  ixpk= 3426, nxpk= 25, iat= 712, 704, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   21 ALA  MB           21 ALA  HA          2.50    (#   3427:25  Unique         2.46, 2.69 A)
 &rst
  ixpk= 3427, nxpk= 25, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 312, 313, 314,
 &end
#
#    0 AMB  25-2:3428    21 ALA  HA          2.50    (#   3428:25  Single Ambig)
 &rst
  ixpk= 3428, nxpk= 25, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 319, 320, 319, 320,
 &end
#
#   40 LEU  HG           40 LEU  MDY         4.50    (#   3429:25  Unique         2.41, 2.65 A)
 &rst
  ixpk= 3429, nxpk= 25, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   88 CYS  HA           37 VAL  MGY         2.50    (#   3431:25  Unique         2.14, 3.77 A)
 &rst
  ixpk= 3431, nxpk= 25, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   41 LEU  MDY          37 VAL  MGY         5.50    (#   3432:25  Unique         2.28, 5.78 A)
 &rst
  ixpk= 3432, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 561, 562, 563, 565, 566, 567,
 &end
#
#   79 PHE  HN           79 PHE  HA          5.50    (#   3433:25  Unique         2.97, 2.97 A)
 &rst
  ixpk= 3433, nxpk= 25, iat=1189,1191, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:3434     0 AMB  25-1:3434   4.50    (#   3434:25  Double Ambig)
 &rst
  ixpk= 3434, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 220, 242,
 igr2= 227, 228, 227, 228,
 &end
#
#   63 GLN  QG           66 LEU  MDY         5.50    (#   3435:25  Unique         4.86, 7.77 A)
 &rst
  ixpk= 3435, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 962, 963,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   26 PHE  HB-          66 LEU  MDY         4.50    (#   3436:25  Unique         3.31, 4.90 A)
 &rst
  ixpk= 3436, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 384, 385,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   81 GLY  HN           81 GLY  HA+         3.50    (#   3442:25  Unique         2.28, 2.55 A)
 &rst
  ixpk= 3442, nxpk= 25, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1230,1231,
 &end
#
#   81 GLY  HN           81 GLY  HA-         4.50    (#   3443:25  Unique         2.28, 2.55 A)
 &rst
  ixpk= 3443, nxpk= 25, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1230,1231,
 &end
#
#   81 GLY  HN           80 ILE  MG2         4.50    (#   3444:25  Unique         2.56, 3.24 A)
 &rst
  ixpk= 3444, nxpk= 25, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1215,1216,1217,
 &end
#
#   81 GLY  HN          107 ALA  MB          4.50    (#   3445:25  Unique         2.55, 3.50 A)
 &rst
  ixpk= 3445, nxpk= 25, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1630,1631,1632,
 &end
#
#   81 GLY  HN           23 VAL  MGX         5.50    (#   3446:25  Unique         3.79, 5.50 A)
 &rst
  ixpk= 3446, nxpk= 25, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 338, 339, 340, 342, 343, 344,
 &end
#
#   81 GLY  HN           80 ILE  MD1         5.50    (#   3447:25  Unique         5.63, 6.17 A)
 &rst
  ixpk= 3447, nxpk= 25, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1222,1223,1224,
 &end
#
#   81 GLY  HN           22 PRO  HA          5.50    (#   3449:25  Unique         3.15, 3.33 A)
 &rst
  ixpk= 3449, nxpk= 25, iat=1228, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81 GLY  HN           82 GLY  HA+         5.50    (#   3450:25  Unique         5.02, 5.24 A)
 &rst
  ixpk= 3450, nxpk= 25, iat=1228,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1237,1238,
 &end
#
#   69 TRP  HE1          15 LYS  HE+         5.50    (#   3451:25  Unique         2.89, 3.43 A)
 &rst
  ixpk= 3451, nxpk= 25, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 233, 234,
 &end
#
#   69 TRP  HE1          15 LYS  HE-         5.50    (#   3452:25  Unique         2.89, 3.43 A)
 &rst
  ixpk= 3452, nxpk= 25, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 233, 234,
 &end
#
#   53 LEU  HN           75 VAL  MGX         5.50    (#   3454:25  Unique         4.28, 6.43 A)
 &rst
  ixpk= 3454, nxpk= 25, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   82 GLY  HN           80 ILE  MG2         5.50    (#   3455:25  Unique         5.07, 5.66 A)
 &rst
  ixpk= 3455, nxpk= 25, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1215,1216,1217,
 &end
#
#   54 ASP  HN           75 VAL  MGX         7.00    (#   3456:25  Unique         5.51, 7.27 A)
 &rst
  ixpk= 3456, nxpk= 25, iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   27 SER  HN           75 VAL  MGX         5.50    (#   3457:25  Unique         3.86, 5.77 A)
 &rst
  ixpk= 3457, nxpk= 25, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   24 VAL  HN           80 ILE  MG2         5.50    (#   3459:25  Unique         5.58, 6.51 A)
 &rst
  ixpk= 3459, nxpk= 25, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1215,1216,1217,
 &end
#
#   79 PHE  HN           18 ALA  MB          7.00    (#   3461:25  Unique         5.92, 6.90 A)
 &rst
  ixpk= 3461, nxpk= 25, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 280, 281, 282,
 &end
#
#   82 GLY  HN           18 ALA  MB          5.50    (#   3462:25  Unique         4.37, 6.22 A)
 &rst
  ixpk= 3462, nxpk= 25, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 280, 281, 282,
 &end
#
#   29 THR  HN           75 VAL  MGX         5.50    (#   3463:25  Unique         5.95, 7.63 A)
 &rst
  ixpk= 3463, nxpk= 25, iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   53 LEU  HN           28 LYS  HB-         7.00    (#   3464:25  Unique         5.11, 5.57 A)
 &rst
  ixpk= 3464, nxpk= 25, iat= 813,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 415, 416,
 &end
#
#   79 PHE  HN           25 VAL  HA          5.50    (#   3465:25  Unique         3.52, 3.69 A)
 &rst
  ixpk= 3465, nxpk= 25, iat=1189, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 PHE  HN           25 VAL  MGY         5.50    (#   3466:25  Unique         4.03, 5.66 A)
 &rst
  ixpk= 3466, nxpk= 25, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 370, 371, 372, 374, 375, 376,
 &end
#
#   79 PHE  HN           24 VAL  MGX         5.50    (#   3467:25  Unique         4.85, 5.78 A)
 &rst
  ixpk= 3467, nxpk= 25, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 354, 355, 356, 358, 359, 360,
 &end
#
#  101 LEU  HN          100 LEU  HB+         5.50    (#   3468:25  Unique         2.56, 3.28 A)
 &rst
  ixpk= 3468, nxpk= 25, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1511,1512,
 &end
#
#   79 PHE  HN           79 PHE  HB-         5.50    (#   3469:25  Unique         2.50, 3.11 A)
 &rst
  ixpk= 3469, nxpk= 25, iat=1189,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1193,1194,
 &end
#
#   34 CYS  HN           34 CYS  HB-         5.50    (#   3470:25  Unique         2.42, 2.93 A)
 &rst
  ixpk= 3470, nxpk= 25, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 510, 511,
 &end
#
#   34 CYS  HN           33 TYR  HB-         5.50    (#   3471:25  Unique         2.72, 3.33 A)
 &rst
  ixpk= 3471, nxpk= 25, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 489, 490,
 &end
#
#   34 CYS  HN           33 TYR  HB+         5.50    (#   3472:25  Unique         2.72, 3.33 A)
 &rst
  ixpk= 3472, nxpk= 25, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 489, 490,
 &end
#
#   33 TYR  HN           33 TYR  HB+         5.50    (#   3473:25  Unique         2.35, 3.01 A)
 &rst
  ixpk= 3473, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 489, 490,
 &end
#
#   33 TYR  HN           88 CYS  HB+         5.50    (#   3474:25  Unique         5.70, 6.07 A)
 &rst
  ixpk= 3474, nxpk= 25, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1318,1319,
 &end
#
#   73 GLY  HN           72 ARG  HA          4.50    (#   3478:25  Unique         2.27, 2.82 A)
 &rst
  ixpk= 3478, nxpk= 25, iat=1108,1086, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 ASP  HN           59 GLY  HA+         5.50    (#   3479:25  Unique         3.71, 4.12 A)
 &rst
  ixpk= 3479, nxpk= 25, iat= 889,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 903, 904,
 &end
#
#   24 VAL  HN           79 PHE  HB+         5.50    (#   3480:25  Unique         3.00, 3.62 A)
 &rst
  ixpk= 3480, nxpk= 25, iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1193,1194,
 &end
#
#    0 AMB  25-2:3481     0 AMB  25-1:3481   5.50    (#   3481:25  Double Ambig)
 &rst
  ixpk= 3481, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 380,1173,
 igr2=1163,1164,1163,1164,
 &end
#
#    0 AMB  25-2:3482    77 ASN  HB-         5.50    (#   3482:25  Single Ambig)
 &rst
  ixpk= 3482, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 380,1173,
 igr2=1163,1164,
 &end
#
#    0 AMB  25-2:3484     0 AMB  25-1:3484   5.50    (#   3484:25  Double Ambig)
 &rst
  ixpk= 3484, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 936, 955,
 igr2= 903, 904, 903, 904,
 &end
#
#   80 ILE  HN           79 PHE  HB+         5.50    (#   3485:25  Unique         2.86, 3.51 A)
 &rst
  ixpk= 3485, nxpk= 25, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1193,1194,
 &end
#
#   95 HIS  HN           95 HIS  HB-         3.50    (#   3486:25  Unique         2.41, 2.55 A)
 &rst
  ixpk= 3486, nxpk= 25, iat=1420,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1424,1425,
 &end
#
#   95 HIS  HN           95 HIS  HB+         4.50    (#   3487:25  Unique         2.41, 2.55 A)
 &rst
  ixpk= 3487, nxpk= 25, iat=1420,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1424,1425,
 &end
#
#   79 PHE  HZ           70 THR  MG2         3.50    (#   3488:25  Unique         2.34, 2.85 A)
 &rst
  ixpk= 3488, nxpk= 25, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1069,1070,1071,
 &end
#
#   79 PHE  HZ           66 LEU  MDX         4.50    (#   3489:25  Unique         2.71, 4.55 A)
 &rst
  ixpk= 3489, nxpk= 25, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   79 PHE  HZ           18 ALA  MB          5.50    (#   3490:25  Unique         4.20, 4.98 A)
 &rst
  ixpk= 3490, nxpk= 25, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 280, 281, 282,
 &end
#
#   84 GLN  HN           83 LYS  HA          2.50    (#   3494:25  Unique         2.21, 2.26 A)
 &rst
  ixpk= 3494, nxpk= 25, iat=1264,1244, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   83 LYS  QB           83 LYS  HA          3.50    (#   3495:25  Unique         2.37, 2.69 A)
 &rst
  ixpk= 3495, nxpk= 25, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1246,1247,
 &end
#
#   83 LYS  QD           83 LYS  HA          4.50    (#   3496:25  Unique         2.40, 4.63 A)
 &rst
  ixpk= 3496, nxpk= 25, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1252,1253,
 &end
#
#   83 LYS  QG           83 LYS  HA          3.50    (#   3497:25  Unique         2.49, 3.09 A)
 &rst
  ixpk= 3497, nxpk= 25, iat=  -1,1244, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1249,1250,
 &end
#
#   83 LYS  HN           83 LYS  HA          4.50    (#   3498:25  Unique         2.97, 2.98 A)
 &rst
  ixpk= 3498, nxpk= 25, iat=1242,1244, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 LYS  HB+           3 SER  HA          5.50    (#   3499:25  Unique         4.53, 5.57 A)
 &rst
  ixpk= 3499, nxpk= 25, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  46,  47,
 &end
#
#    4 LYS  HG+           3 SER  HA          7.00    (#   3500:25  Unique         3.90, 6.33 A)
 &rst
  ixpk= 3500, nxpk= 25, iat=  -1,  33, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  49,  50,
 &end
#
#   28 LYS  HD-          28 LYS  HB-         5.50    (#   3501:25  Unique         2.29, 2.90 A)
 &rst
  ixpk= 3501, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 421, 422,
 igr2= 415, 416,
 &end
#
#    0 AMB  25-2:3502    18 ALA  HA          4.50    (#   3502:25  Single Ambig)
 &rst
  ixpk= 3502, nxpk= 25, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 286,1197,1205,
 &end
#
#    0 AMB  25-2:3503    18 ALA  HA          5.50    (#   3503:25  Single Ambig)
 &rst
  ixpk= 3503, nxpk= 25, iat=  -1, 278, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 259, 290, 291, 212,
 &end
#
#    0 AMB  25-2:3504    18 ALA  MB          2.50    (#   3504:25  Single Ambig)
 &rst
  ixpk= 3504, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr1=1197,1205, 286,
 igr2= 280, 281, 282,
 &end
#
#   19 SER  HB+          18 ALA  MB          5.50    (#   3505:25  Unique         4.10, 6.05 A)
 &rst
  ixpk= 3505, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 290, 291,
 igr2= 280, 281, 282,
 &end
#
#    0 AMB  25-2:3506    20 SER  HA          5.50    (#   3506:25  Single Ambig)
 &rst
  ixpk= 3506, nxpk= 25, iat=  -1, 299, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 312, 313, 314, 751, 752,
 &end
#
#   17 LEU  MDX          20 SER  HB+         5.50    (#   3507:25  Unique         3.73, 6.60 A)
 &rst
  ixpk= 3507, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 266, 267, 268, 270, 271, 272,
 igr2= 301, 302,
 &end
#
#    0 AMB  25-2:3508    21 ALA  HA          4.50    (#   3508:25  Single Ambig)
 &rst
  ixpk= 3508, nxpk= 25, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 308, 332,
 &end
#
#   80 ILE  HA           22 PRO  HA          5.50    (#   3509:25  Unique         4.68, 4.78 A)
 &rst
  ixpk= 3509, nxpk= 25, iat=1211, 328, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 VAL  HA           23 VAL  HB          5.50    (#   3510:25  Unique         3.04, 3.04 A)
 &rst
  ixpk= 3510, nxpk= 25, iat= 334, 336, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 VAL  MGX          28 LYS  QG          3.50    (#   3511:25  Unique         2.29, 4.26 A)
 &rst
  ixpk= 3511, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1135,1136,1137,1139,1140,1141,
 igr2= 418, 419,
 &end
#
#   29 THR  HN           29 THR  HB          5.50    (#   3512:25  Unique         3.40, 3.43 A)
 &rst
  ixpk= 3512, nxpk= 25, iat= 433, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 TYR  HN           29 THR  HB          5.50    (#   3513:25  Unique         3.37, 3.90 A)
 &rst
  ixpk= 3513, nxpk= 25, iat= 447, 437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:3514    29 THR  HB          5.50    (#   3514:25  Single Ambig)
 &rst
  ixpk= 3514, nxpk= 25, iat=  -1, 437, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 802, 803, 848, 849,
 &end
#
#   56 LEU  HN           29 THR  MG2         7.00    (#   3515:25  Unique         5.01, 6.23 A)
 &rst
  ixpk= 3515, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2= 439, 440, 441,
 &end
#
#   55 GLU  HN           29 THR  MG2         5.50    (#   3516:25  Unique         2.88, 4.12 A)
 &rst
  ixpk= 3516, nxpk= 25, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 439, 440, 441,
 &end
#
#   30 TYR  HN           29 THR  MG2         5.50    (#   3517:25  Unique         4.60, 5.28 A)
 &rst
  ixpk= 3517, nxpk= 25, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 439, 440, 441,
 &end
#
#   76 PRO  QG           33 TYR  HB+         5.50    (#   3518:25  Unique         2.72, 3.92 A)
 &rst
  ixpk= 3518, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1149,1150,
 igr2= 489, 490,
 &end
#
#   76 PRO  QG           33 TYR  HB-         5.50    (#   3519:25  Unique         2.72, 3.92 A)
 &rst
  ixpk= 3519, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1149,1150,
 igr2= 489, 490,
 &end
#
#   76 PRO  HD-          33 TYR  HB+         5.50    (#   3520:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 3520, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1146,1147,
 igr2= 489, 490,
 &end
#
#   76 PRO  HD+          33 TYR  HB+         5.50    (#   3521:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 3521, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1146,1147,
 igr2= 489, 490,
 &end
#
#   76 PRO  HD+          33 TYR  HB-         5.50    (#   3522:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 3522, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1146,1147,
 igr2= 489, 490,
 &end
#
#    0 AMB  25-2:3523    33 TYR  HB-         5.50    (#   3523:25  Single Ambig)
 &rst
  ixpk= 3523, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 508, 480, 481,
 igr2= 489, 490,
 &end
#
#    0 AMB  25-2:3524    34 CYS  HA          5.50    (#   3524:25  Single Ambig)
 &rst
  ixpk= 3524, nxpk= 25, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 404, 405, 489, 490,
 &end
#
#   35 ASN  HN           34 CYS  HB+         5.50    (#   3525:25  Unique         2.43, 3.09 A)
 &rst
  ixpk= 3525, nxpk= 25, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 510, 511,
 &end
#
#   41 LEU  HN           40 LEU  HA          5.50    (#   3526:25  Unique         3.57, 3.58 A)
 &rst
  ixpk= 3526, nxpk= 25, iat= 629, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 GLN  HN           40 LEU  MDX         5.50    (#   3527:25  Unique         5.25, 7.06 A)
 &rst
  ixpk= 3527, nxpk= 25, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   41 LEU  HN           40 LEU  MDY         5.50    (#   3528:25  Unique         3.19, 5.37 A)
 &rst
  ixpk= 3528, nxpk= 25, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#   92 VAL  MGY          40 LEU  MDY         5.50    (#   3529:25  Unique         2.30, 5.01 A)
 &rst
  ixpk= 3529, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1=1373,1374,1375,1377,1378,1379,
 igr2= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  25-2:3530    41 LEU  HA          5.50    (#   3530:25  Single Ambig)
 &rst
  ixpk= 3530, nxpk= 25, iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 731, 740, 733, 738,
 &end
#
#   41 LEU  MDX          41 LEU  HB+         5.50    (#   3531:25  Unique         2.31, 3.33 A)
 &rst
  ixpk= 3531, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 633, 634,
 &end
#
#   43 GLN  HN           41 LEU  MDX         5.50    (#   3532:25  Unique         5.86, 7.53 A)
 &rst
  ixpk= 3532, nxpk= 25, iat= 662,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   23 VAL  HB           41 LEU  MDY         5.50    (#   3533:25  Unique         3.54, 5.20 A)
 &rst
  ixpk= 3533, nxpk= 25, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  25-2:3534    41 LEU  MDY         5.50    (#   3534:25  Single Ambig)
 &rst
  ixpk= 3534, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 704, 366,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   43 GLN  QB           44 VAL  MGX         4.50    (#   3535:25  Unique         3.00, 5.49 A)
 &rst
  ixpk= 3535, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 666, 667,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   46 ALA  HN           44 VAL  MGY         5.50    (#   3536:25  Unique         2.30, 4.66 A)
 &rst
  ixpk= 3536, nxpk= 25, iat= 702,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#   41 LEU  HG           44 VAL  MGY         4.50    (#   3537:25  Unique         4.46, 6.45 A)
 &rst
  ixpk= 3537, nxpk= 25, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 685, 686, 687, 689, 690, 691,
 &end
#
#  104 LEU  MDX          46 ALA  HA          4.50    (#   3538:25  Unique         3.51, 5.14 A)
 &rst
  ixpk= 3538, nxpk= 25, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1587,1588,1589,1591,1592,1593,
 &end
#
#  109 ALA  MB           46 ALA  HA          5.50    (#   3539:25  Unique         3.30, 4.27 A)
 &rst
  ixpk= 3539, nxpk= 25, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1650,1651,1652,
 &end
#
#   46 ALA  HN           46 ALA  HA          4.50    (#   3540:25  Unique         2.88, 2.91 A)
 &rst
  ixpk= 3540, nxpk= 25, iat= 702, 704, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 LEU  HA           46 ALA  MB          3.50    (#   3541:25  Unique         2.91, 3.85 A)
 &rst
  ixpk= 3541, nxpk= 25, iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 706, 707, 708,
 &end
#
#    0 AMB  25-2:3542    46 ALA  MB          5.50    (#   3542:25  Single Ambig)
 &rst
  ixpk= 3542, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 727, 728, 683,
 igr2= 706, 707, 708,
 &end
#
#    0 AMB  25-2:3543    46 ALA  MB          4.50    (#   3543:25  Single Ambig)
 &rst
  ixpk= 3543, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 336, 322, 323,
 igr2= 706, 707, 708,
 &end
#
#    0 AMB  25-2:3544    47 SER  HA          5.50    (#   3544:25  Single Ambig)
 &rst
  ixpk= 3544, nxpk= 25, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 731, 740, 733, 738,
 &end
#
#    0 AMB  25-2:3545    47 SER  HA          5.50    (#   3545:25  Single Ambig)
 &rst
  ixpk= 3545, nxpk= 25, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 706, 707, 708, 312, 313, 314,
 &end
#
#   48 TYR  HN           47 SER  HB+         4.50    (#   3546:25  Unique         3.09, 3.89 A)
 &rst
  ixpk= 3546, nxpk= 25, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 716, 717,
 &end
#
#   47 SER  HA           47 SER  HB-         2.50    (#   3547:25  Unique         2.39, 2.74 A)
 &rst
  ixpk= 3547, nxpk= 25, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 716, 717,
 &end
#
#   47 SER  HA           47 SER  HB+         3.50    (#   3548:25  Unique         2.39, 2.74 A)
 &rst
  ixpk= 3548, nxpk= 25, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 716, 717,
 &end
#
#  109 ALA  MB           47 SER  HB-         5.50    (#   3549:25  Unique         3.55, 5.53 A)
 &rst
  ixpk= 3549, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1650,1651,1652,
 igr2= 716, 717,
 &end
#
#   49 LYS  HN           48 TYR  HB-         5.50    (#   3550:25  Unique         2.33, 3.12 A)
 &rst
  ixpk= 3550, nxpk= 25, iat= 744,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 727, 728,
 &end
#
#   50 VAL  HB           49 LYS  HA          5.50    (#   3551:25  Unique         4.54, 4.59 A)
 &rst
  ixpk= 3551, nxpk= 25, iat= 770, 746, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  QD           49 LYS  HA          4.50    (#   3552:25  Unique         3.82, 4.50 A)
 &rst
  ixpk= 3552, nxpk= 25, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 754, 755,
 &end
#
#   49 LYS  HB+          49 LYS  HA          4.50    (#   3553:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 3553, nxpk= 25, iat=  -1, 746, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 748, 749,
 &end
#
#   28 LYS  HD-          54 ASP  HB-         5.50    (#   3554:25  Unique         2.35, 4.48 A)
 &rst
  ixpk= 3554, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 421, 422,
 igr2= 836, 837,
 &end
#
#   56 LEU  HN           55 GLU  HB+         5.50    (#   3556:25  Unique         2.93, 3.85 A)
 &rst
  ixpk= 3556, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 848, 849,
 &end
#
#   56 LEU  HN           55 GLU  HB-         5.50    (#   3557:25  Unique         2.93, 3.85 A)
 &rst
  ixpk= 3557, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 848, 849,
 &end
#
#   59 GLY  HN           56 LEU  HB-         5.50    (#   3558:25  Unique         2.69, 3.88 A)
 &rst
  ixpk= 3558, nxpk= 25, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 863, 864,
 &end
#
#   56 LEU  HG           56 LEU  HB-         4.50    (#   3559:25  Unique         2.29, 2.75 A)
 &rst
  ixpk= 3559, nxpk= 25, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 863, 864,
 &end
#
#   56 LEU  HG           56 LEU  HB+         4.50    (#   3561:25  Unique         2.29, 2.75 A)
 &rst
  ixpk= 3561, nxpk= 25, iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 863, 864,
 &end
#
#    0 AMB  25-2:3562    56 LEU  MDY         4.50    (#   3562:25  Single Ambig)
 &rst
  ixpk= 3562, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 820, 848, 849,
 igr2= 868, 869, 870, 872, 873, 874,
 &end
#
#   57 SER  HN           57 SER  QB          5.50    (#   3563:25  Unique         2.63, 3.08 A)
 &rst
  ixpk= 3563, nxpk= 25, iat= 878,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 882, 883,
 &end
#
#   59 GLY  HN           58 ASP  HA          4.50    (#   3564:25  Unique         2.84, 2.95 A)
 &rst
  ixpk= 3564, nxpk= 25, iat= 901, 891, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 ASP  HN           58 ASP  HA          4.50    (#   3565:25  Unique         2.96, 2.97 A)
 &rst
  ixpk= 3565, nxpk= 25, iat= 889, 891, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  25-2:3566     0 AMB  25-1:3566   4.50    (#   3566:25  Double Ambig)
 &rst
  ixpk= 3566, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 868, 869, 870, 872, 873, 874, 822, 823, 824, 826,
       827, 828,
 igr2= 903, 904, 903, 904,
 &end
#
#   56 LEU  HB-          59 GLY  HA+         5.50    (#   3567:25  Unique         2.26, 3.49 A)
 &rst
  ixpk= 3567, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 863, 864,
 igr2= 903, 904,
 &end
#
#   56 LEU  HN           59 GLY  HA+         5.50    (#   3568:25  Unique         3.53, 4.20 A)
 &rst
  ixpk= 3568, nxpk= 25, iat= 859,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 903, 904,
 &end
#
#   26 PHE  HZ           62 LEU  HG          7.00    (#   3569:25  Unique         6.25, 6.75 A)
 &rst
  ixpk= 3569, nxpk= 25, iat= 392, 943, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   26 PHE  HD           62 LEU  HG          5.50    (#   3570:25  Unique         4.33, 6.83 A)
 &rst
  ixpk= 3570, nxpk= 25, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 388, 396,
 &end
#
#    0 AMB  25-2:3571    63 GLN  HA          5.50    (#   3571:25  Single Ambig)
 &rst
  ixpk= 3571, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1012, 983,
 &end
#
#   63 GLN  HE2+         63 GLN  HA          5.50    (#   3572:25  Unique         2.40, 4.23 A)
 &rst
  ixpk= 3572, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 967, 968,
 &end
#
#   66 LEU  HB+          63 GLN  HA          4.50    (#   3573:25  Unique         2.09, 3.22 A)
 &rst
  ixpk= 3573, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 997, 998,
 &end
#
#   66 LEU  MDX          63 GLN  HA          5.50    (#   3574:25  Unique         3.16, 5.33 A)
 &rst
  ixpk= 3574, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   53 LEU  MDX          63 GLN  HA          5.50    (#   3575:25  Unique         2.44, 4.28 A)
 &rst
  ixpk= 3575, nxpk= 25, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   11 LEU  MDX          65 ALA  HA          4.50    (#   3576:25  Unique         4.12, 6.50 A)
 &rst
  ixpk= 3576, nxpk= 25, iat=  -1, 985, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   66 LEU  HB-          66 LEU  MDX         3.50    (#   3578:25  Unique         2.28, 3.55 A)
 &rst
  ixpk= 3578, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 997, 998,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   26 PHE  HA           66 LEU  MDY         5.50    (#   3579:25  Unique         5.58, 6.81 A)
 &rst
  ixpk= 3579, nxpk= 25, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   79 PHE  HZ           66 LEU  MDY         5.50    (#   3580:25  Unique         2.71, 4.55 A)
 &rst
  ixpk= 3580, nxpk= 25, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   69 TRP  HZ3          66 LEU  MDY         5.50    (#   3581:25  Unique         3.02, 4.29 A)
 &rst
  ixpk= 3581, nxpk= 25, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  25-2:3582    66 LEU  MDY         5.50    (#   3582:25  Single Ambig)
 &rst
  ixpk= 3582, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1199,1203, 967, 968,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   64 SER  HN           66 LEU  MDY         5.50    (#   3583:25  Unique         5.79, 7.87 A)
 &rst
  ixpk= 3583, nxpk= 25, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   26 PHE  HN           66 LEU  MDY         5.50    (#   3584:25  Unique         5.00, 6.69 A)
 &rst
  ixpk= 3584, nxpk= 25, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1002,1003,1004,1006,1007,1008,
 &end
#
#   69 TRP  HE3          69 TRP  HB-         5.50    (#   3585:25  Unique         2.47, 2.97 A)
 &rst
  ixpk= 3585, nxpk= 25, iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1043,1044,
 &end
#
#   69 TRP  HN           69 TRP  HB-         4.50    (#   3586:25  Unique         2.23, 2.40 A)
 &rst
  ixpk= 3586, nxpk= 25, iat=1039,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1043,1044,
 &end
#
#    0 AMB  25-2:3587     0 AMB  25-1:3587   5.50    (#   3587:25  Double Ambig)
 &rst
  ixpk= 3587, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 987, 988, 989,1402,1403, 214, 215, 216,
 igr2=1043,1044,1424,1425,1043,1044,
 &end
#
#    0 AMB  25-2:3588    69 TRP  HB-         5.50    (#   3588:25  Single Ambig)
 &rst
  ixpk= 3588, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 987, 988, 989, 214, 215, 216,
 igr2=1043,1044,
 &end
#
#   84 GLN  HE2-         70 THR  HA          5.50    (#   3589:25  Unique         3.46, 5.65 A)
 &rst
  ixpk= 3589, nxpk= 25, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1276,1277,
 &end
#
#    0 AMB  25-2:3590    70 THR  HA          5.50    (#   3590:25  Single Ambig)
 &rst
  ixpk= 3590, nxpk= 25, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1276,1277,1047,
 &end
#
#   69 TRP  HB+          70 THR  HA          5.50    (#   3591:25  Unique         4.29, 5.08 A)
 &rst
  ixpk= 3591, nxpk= 25, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1043,1044,
 &end
#
#   84 GLN  HG+          70 THR  HB          5.50    (#   3592:25  Unique         2.20, 3.54 A)
 &rst
  ixpk= 3592, nxpk= 25, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1271,1272,
 &end
#
#   84 GLN  HG-          70 THR  HB          5.50    (#   3593:25  Unique         2.20, 3.54 A)
 &rst
  ixpk= 3593, nxpk= 25, iat=  -1,1067, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1271,1272,
 &end
#
#    0 AMB  25-2:3594    70 THR  MG2         5.50    (#   3594:25  Single Ambig)
 &rst
  ixpk= 3594, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1054,1035,
 igr2=1069,1070,1071,
 &end
#
#   66 LEU  HB+          70 THR  MG2         5.50    (#   3596:25  Unique         3.90, 5.56 A)
 &rst
  ixpk= 3596, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 997, 998,
 igr2=1069,1070,1071,
 &end
#
#    0 AMB  25-2:3597    72 ARG  HA          4.50    (#   3597:25  Single Ambig)
 &rst
  ixpk= 3597, nxpk= 25, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1084,1168,1169,
 &end
#
#   73 GLY  HA+          72 ARG  HA          5.50    (#   3598:25  Unique         4.46, 4.74 A)
 &rst
  ixpk= 3598, nxpk= 25, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1110,1111,
 &end
#
#   77 ASN  HD2-         72 ARG  HB-         5.50    (#   3599:25  Unique         2.34, 3.90 A)
 &rst
  ixpk= 3599, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1168,1169,
 igr2=1088,1089,
 &end
#
#   77 ASN  HD2-         72 ARG  HB+         5.50    (#   3600:25  Unique         2.34, 3.90 A)
 &rst
  ixpk= 3600, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1168,1169,
 igr2=1088,1089,
 &end
#
#   72 ARG  HA           72 ARG  HB+         4.50    (#   3601:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 3601, nxpk= 25, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1088,1089,
 &end
#
#   72 ARG  HA           72 ARG  HB-         4.50    (#   3602:25  Unique         2.35, 2.73 A)
 &rst
  ixpk= 3602, nxpk= 25, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1088,1089,
 &end
#
#   72 ARG  HD+          72 ARG  HB+         5.50    (#   3603:25  Unique         2.20, 3.04 A)
 &rst
  ixpk= 3603, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1094,1095,
 igr2=1088,1089,
 &end
#
#   72 ARG  HD+          72 ARG  HB-         5.50    (#   3604:25  Unique         2.20, 3.04 A)
 &rst
  ixpk= 3604, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1094,1095,
 igr2=1088,1089,
 &end
#
#   77 ASN  HD2+         72 ARG  HD+         5.50    (#   3605:25  Unique         3.23, 4.70 A)
 &rst
  ixpk= 3605, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1168,1169,
 igr2=1094,1095,
 &end
#
#   72 ARG  HE           72 ARG  HD+         5.50    (#   3606:25  Unique         2.29, 2.69 A)
 &rst
  ixpk= 3606, nxpk= 25, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1094,1095,
 &end
#
#   74 THR  HN           72 ARG  HD-         5.50    (#   3607:25  Unique         2.94, 4.98 A)
 &rst
  ixpk= 3607, nxpk= 25, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1094,1095,
 &end
#
#   84 GLN  HE2-         72 ARG  HD-         5.50    (#   3608:25  Unique         2.39, 4.48 A)
 &rst
  ixpk= 3608, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1276,1277,
 igr2=1094,1095,
 &end
#
#    0 AMB  25-2:3609     0 AMB  25-1:3609   5.50    (#   3609:25  Double Ambig)
 &rst
  ixpk= 3609, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1309,1310,1302,1303,
 igr2=1094,1095,1094,1095,
 &end
#
#   86 GLY  HA-          72 ARG  HD-         5.50    (#   3610:25  Unique         3.16, 4.94 A)
 &rst
  ixpk= 3610, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1302,1303,
 igr2=1094,1095,
 &end
#
#   73 GLY  HN           73 GLY  HA+         5.50    (#   3611:25  Unique         2.26, 2.59 A)
 &rst
  ixpk= 3611, nxpk= 25, iat=1108,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1110,1111,
 &end
#
#    0 AMB  25-2:3612    75 VAL  HA          5.50    (#   3612:25  Single Ambig)
 &rst
  ixpk= 3612, nxpk= 25, iat=  -1,1131, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1152,1153,1149,1150,
 &end
#
#   63 GLN  HE2+         75 VAL  MGX         5.50    (#   3613:25  Unique         2.78, 5.57 A)
 &rst
  ixpk= 3613, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 967, 968,
 igr2=1135,1136,1137,1139,1140,1141,
 &end
#
#   75 VAL  HB           76 PRO  HB+         5.50    (#   3614:25  Unique         3.73, 4.54 A)
 &rst
  ixpk= 3614, nxpk= 25, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1152,1153,
 &end
#
#   75 VAL  HB           76 PRO  HB-         5.50    (#   3615:25  Unique         3.73, 4.54 A)
 &rst
  ixpk= 3615, nxpk= 25, iat=1133,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1152,1153,
 &end
#
#    0 AMB  25-2:3616     0 AMB  25-1:3616   5.50    (#   3616:25  Double Ambig)
 &rst
  ixpk= 3616, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 510, 511,1146,1147,1309,1310,
 igr2=1152,1153,1152,1153,1152,1153,
 &end
#
#   77 ASN  HN           76 PRO  HB+         5.50    (#   3617:25  Unique         2.66, 3.20 A)
 &rst
  ixpk= 3617, nxpk= 25, iat=1159,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1152,1153,
 &end
#
#   33 TYR  HB-          76 PRO  HD-         5.50    (#   3618:25  Unique         2.22, 2.70 A)
 &rst
  ixpk= 3618, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 489, 490,
 igr2=1146,1147,
 &end
#
#    0 AMB  25-2:3619    76 PRO  HD-         5.50    (#   3619:25  Single Ambig)
 &rst
  ixpk= 3619, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1152,1153, 473, 472,
 igr2=1146,1147,
 &end
#
#   88 CYS  HB-          76 PRO  HD-         5.50    (#   3620:25  Unique         2.41, 3.98 A)
 &rst
  ixpk= 3620, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1318,1319,
 igr2=1146,1147,
 &end
#
#   37 VAL  MGY          76 PRO  HD+         5.50    (#   3621:25  Unique         4.39, 6.20 A)
 &rst
  ixpk= 3621, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 561, 562, 563, 565, 566, 567,
 igr2=1146,1147,
 &end
#
#   78 VAL  HN           77 ASN  HA          3.50    (#   3622:25  Unique         2.17, 2.22 A)
 &rst
  ixpk= 3622, nxpk= 25, iat=1173,1161, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 PHE  HD           77 ASN  HB+         5.50    (#   3623:25  Unique         2.69, 5.23 A)
 &rst
  ixpk= 3623, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 388, 396,
 igr2=1163,1164,
 &end
#
#   77 ASN  HD2-         77 ASN  HB+         5.50    (#   3624:25  Unique         2.18, 3.19 A)
 &rst
  ixpk= 3624, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1168,1169,
 igr2=1163,1164,
 &end
#
#   79 PHE  HB+          79 PHE  HA          5.50    (#   3626:25  Unique         2.54, 2.81 A)
 &rst
  ixpk= 3626, nxpk= 25, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#   80 ILE  HA           80 ILE  HG1+        5.50    (#   3627:25  Unique         2.47, 2.83 A)
 &rst
  ixpk= 3627, nxpk= 25, iat=1211,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1219,1220,
 &end
#
#  103 LEU  HN           80 ILE  MG2         7.00    (#   3628:25  Unique         5.61, 6.99 A)
 &rst
  ixpk= 3628, nxpk= 25, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr2=1215,1216,1217,
 &end
#
#    0 AMB  25-2:3629    80 ILE  MG2         4.50    (#   3629:25  Single Ambig)
 &rst
  ixpk= 3629, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1628, 328,
 igr2=1215,1216,1217,
 &end
#
#    0 AMB  25-2:3630    80 ILE  MG2         5.50    (#   3630:25  Single Ambig)
 &rst
  ixpk= 3630, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1618,1619,1411,1412,
 igr2=1215,1216,1217,
 &end
#
#  104 LEU  MDY          80 ILE  MG2         4.50    (#   3631:25  Unique         2.49, 5.59 A)
 &rst
  ixpk= 3631, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1587,1588,1589,1591,1592,1593,
 igr2=1215,1216,1217,
 &end
#
#    0 AMB  25-2:3632    80 ILE  MD1         5.50    (#   3632:25  Single Ambig)
 &rst
  ixpk= 3632, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1411,1412,1411,1412,
 igr2=1222,1223,1224,
 &end
#
#    0 AMB  25-2:3633    80 ILE  MD1         5.50    (#   3633:25  Single Ambig)
 &rst
  ixpk= 3633, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1353,1193,1194,
 igr2=1222,1223,1224,
 &end
#
#    0 AMB  25-2:3634    81 GLY  HA-         5.50    (#   3634:25  Single Ambig)
 &rst
  ixpk= 3634, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1211, 334,
 igr2=1230,1231,
 &end
#
#   84 GLN  HG-          84 GLN  HA          4.50    (#   3635:25  Unique         2.29, 3.01 A)
 &rst
  ixpk= 3635, nxpk= 25, iat=  -1,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1271,1272,
 &end
#
#   79 PHE  HE           84 GLN  HB-         5.50    (#   3636:25  Unique         2.72, 4.46 A)
 &rst
  ixpk= 3636, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1199,1203,
 igr2=1268,1269,
 &end
#
#   79 PHE  HE           84 GLN  HB+         5.50    (#   3637:25  Unique         2.72, 4.46 A)
 &rst
  ixpk= 3637, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1199,1203,
 igr2=1268,1269,
 &end
#
#   79 PHE  HZ           84 GLN  HB-         5.50    (#   3638:25  Unique         2.98, 4.11 A)
 &rst
  ixpk= 3638, nxpk= 25, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1268,1269,
 &end
#
#   83 LYS  HA           84 GLN  HB-         5.50    (#   3639:25  Unique         4.22, 4.66 A)
 &rst
  ixpk= 3639, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1268,1269,
 &end
#
#   70 THR  HB           84 GLN  HG+         5.50    (#   3640:25  Unique         2.20, 3.54 A)
 &rst
  ixpk= 3640, nxpk= 25, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1271,1272,
 &end
#
#    0 AMB  25-2:3641     0 AMB  25-1:3641   5.50    (#   3641:25  Double Ambig)
 &rst
  ixpk= 3641, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1067,1599,
 igr2=1271,1272,1684,1685,
 &end
#
#   79 PHE  HE           84 GLN  HG+         5.50    (#   3642:25  Unique         2.86, 4.20 A)
 &rst
  ixpk= 3642, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1199,1203,
 igr2=1271,1272,
 &end
#
#    0 AMB  25-2:3643    85 ILE  HB          5.50    (#   3643:25  Single Ambig)
 &rst
  ixpk= 3643, nxpk= 25, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1266,1411,1412,
 &end
#
#    0 AMB  25-2:3644    85 ILE  HG1-        5.50    (#   3644:25  Single Ambig)
 &rst
  ixpk= 3644, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1300,1276,1277,
 igr2=1291,1292,
 &end
#
#   79 PHE  HA           85 ILE  HG1+        5.50    (#   3645:25  Unique         2.33, 3.29 A)
 &rst
  ixpk= 3645, nxpk= 25, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1291,1292,
 &end
#
#   83 LYS  HA           85 ILE  MD1         5.50    (#   3647:25  Unique         5.15, 6.12 A)
 &rst
  ixpk= 3647, nxpk= 25, iat=1244,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1294,1295,1296,
 &end
#
#   79 PHE  HB+          85 ILE  MD1         5.50    (#   3648:25  Unique         4.69, 6.96 A)
 &rst
  ixpk= 3648, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1193,1194,
 igr2=1294,1295,1296,
 &end
#
#   83 LYS  QE           85 ILE  MD1         5.50    (#   3649:25  Unique         2.49, 5.70 A)
 &rst
  ixpk= 3649, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1255,1256,
 igr2=1294,1295,1296,
 &end
#
#   86 GLY  HA-          85 ILE  MD1         5.50    (#   3650:25  Unique         6.80, 7.48 A)
 &rst
  ixpk= 3650, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1302,1303,
 igr2=1294,1295,1296,
 &end
#
#   83 LYS  QG           85 ILE  MD1         3.50    (#   3651:25  Unique         2.53, 4.65 A)
 &rst
  ixpk= 3651, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1249,1250,
 igr2=1294,1295,1296,
 &end
#
#   90 THR  MG2          86 GLY  HA+         4.50    (#   3652:25  Unique         2.26, 4.09 A)
 &rst
  ixpk= 3652, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1343,1344,1345,
 igr2=1302,1303,
 &end
#
#   85 ILE  MG2          86 GLY  HA+         5.50    (#   3653:25  Unique         3.49, 5.21 A)
 &rst
  ixpk= 3653, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1287,1288,1289,
 igr2=1302,1303,
 &end
#
#   85 ILE  MG2          86 GLY  HA-         5.50    (#   3654:25  Unique         3.49, 5.21 A)
 &rst
  ixpk= 3654, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1287,1288,1289,
 igr2=1302,1303,
 &end
#
#   88 CYS  HN           87 GLY  HA+         4.50    (#   3655:25  Unique         2.34, 2.58 A)
 &rst
  ixpk= 3655, nxpk= 25, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1309,1310,
 &end
#
#   87 GLY  HN           87 GLY  HA+         4.50    (#   3656:25  Unique         2.41, 2.76 A)
 &rst
  ixpk= 3656, nxpk= 25, iat=1307,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1309,1310,
 &end
#
#    0 AMB  25-2:3658    87 GLY  HA-         5.50    (#   3658:25  Single Ambig)
 &rst
  ixpk= 3658, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1152,1153,1149,1150,
 igr2=1309,1310,
 &end
#
#    0 AMB  25-2:3659     0 AMB  25-1:3659   5.50    (#   3659:25  Double Ambig)
 &rst
  ixpk= 3659, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
 igr1= 561, 562, 563, 565, 566, 567,1357,1358,1359,1361,
      1362,1363,1357,1358,1359,1361,1362,1363,
 igr2=1309,1310,1309,1310,1309,1310,
 &end
#
#    0 AMB  25-2:3660    87 GLY  HA-         5.50    (#   3660:25  Single Ambig)
 &rst
  ixpk= 3660, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 561, 562, 563, 565, 566, 567,1357,1358,1359,1361,
      1362,1363,1357,1358,1359,1361,1362,1363,
 igr2=1309,1310,
 &end
#
#   89 ASP  HN           88 CYS  HB-         5.50    (#   3661:25  Unique         2.46, 3.48 A)
 &rst
  ixpk= 3661, nxpk= 25, iat=1325,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1318,1319,
 &end
#
#   33 TYR  HD           88 CYS  HB+         5.50    (#   3662:25  Unique         2.27, 4.66 A)
 &rst
  ixpk= 3662, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 493, 502,
 igr2=1318,1319,
 &end
#
#   33 TYR  HD           88 CYS  HB-         5.50    (#   3663:25  Unique         2.27, 4.66 A)
 &rst
  ixpk= 3663, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 493, 502,
 igr2=1318,1319,
 &end
#
#   76 PRO  HD-          88 CYS  HB+         5.50    (#   3664:25  Unique         2.41, 3.98 A)
 &rst
  ixpk= 3664, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1146,1147,
 igr2=1318,1319,
 &end
#
#   76 PRO  HD-          88 CYS  HB-         5.50    (#   3665:25  Unique         2.41, 3.98 A)
 &rst
  ixpk= 3665, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1146,1147,
 igr2=1318,1319,
 &end
#
#   33 TYR  HB-          88 CYS  HB+         5.50    (#   3666:25  Unique         2.30, 3.59 A)
 &rst
  ixpk= 3666, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 489, 490,
 igr2=1318,1319,
 &end
#
#   37 VAL  MGX          88 CYS  HB-         5.50    (#   3667:25  Unique         2.37, 5.03 A)
 &rst
  ixpk= 3667, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 561, 562, 563, 565, 566, 567,
 igr2=1318,1319,
 &end
#
#    0 AMB  25-2:3668   100 LEU  HA          5.50    (#   3668:25  Single Ambig)
 &rst
  ixpk= 3668, nxpk= 25, iat=  -1,1509, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1546,1547,1353,
 &end
#
#  101 LEU  HN          100 LEU  HA          5.50    (#   3669:25  Unique         3.58, 3.60 A)
 &rst
  ixpk= 3669, nxpk= 25, iat=1526,1509, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   94 LYS  QG           90 THR  HA          5.50    (#   3670:25  Unique         3.76, 4.76 A)
 &rst
  ixpk= 3670, nxpk= 25, iat=  -1,1339, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1405,1406,
 &end
#
#    0 AMB  25-2:3671    90 THR  HB          5.50    (#   3671:25  Single Ambig)
 &rst
  ixpk= 3671, nxpk= 25, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1367,1398,1383,
 &end
#
#   86 GLY  HA+          90 THR  HB          5.50    (#   3672:25  Unique         2.55, 3.56 A)
 &rst
  ixpk= 3672, nxpk= 25, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1302,1303,
 &end
#
#   91 VAL  HA           90 THR  HB          5.50    (#   3673:25  Unique         3.99, 4.06 A)
 &rst
  ixpk= 3673, nxpk= 25, iat=1353,1341, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  25-2:3674    90 THR  HB          5.50    (#   3674:25  Single Ambig)
 &rst
  ixpk= 3674, nxpk= 25, iat=  -1,1341, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1355,1387,1388,
 &end
#
#   86 GLY  HA+          90 THR  MG2         4.50    (#   3675:25  Unique         2.26, 4.09 A)
 &rst
  ixpk= 3675, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1302,1303,
 igr2=1343,1344,1345,
 &end
#
#   94 LYS  HA           91 VAL  HA          5.50    (#   3677:25  Unique         5.19, 5.29 A)
 &rst
  ixpk= 3677, nxpk= 25, iat=1400,1353, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 PRO  HB+          37 VAL  HB          5.50    (#   3678:25  Unique         3.52, 3.85 A)
 &rst
  ixpk= 3678, nxpk= 25, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1152,1153,
 &end
#
#   40 LEU  MDY          92 VAL  HA          5.50    (#   3679:25  Unique         2.26, 3.40 A)
 &rst
  ixpk= 3679, nxpk= 25, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   93 GLU  HA           92 VAL  MGX         4.50    (#   3680:25  Unique         3.45, 5.66 A)
 &rst
  ixpk= 3680, nxpk= 25, iat=1385,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1373,1374,1375,1377,1378,1379,
 &end
#
#   95 HIS  HD2          95 HIS  HB-         5.50    (#   3684:25  Unique         2.57, 3.11 A)
 &rst
  ixpk= 3684, nxpk= 25, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1424,1425,
 &end
#
#   95 HIS  HD2          95 HIS  HB+         5.50    (#   3685:25  Unique         2.57, 3.11 A)
 &rst
  ixpk= 3685, nxpk= 25, iat=1433,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1424,1425,
 &end
#
#   40 LEU  HG           95 HIS  HB+         5.50    (#   3686:25  Unique         3.27, 3.86 A)
 &rst
  ixpk= 3686, nxpk= 25, iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1424,1425,
 &end
#
#    0 AMB  25-2:3687     0 AMB  25-1:3687   5.50    (#   3687:25  Double Ambig)
 &rst
  ixpk= 3687, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 901,1578,
 igr2= 866,1566,
 &end
#
#   56 LEU  HN           56 LEU  HG          5.50    (#   3688:25  Unique         2.35, 4.37 A)
 &rst
  ixpk= 3688, nxpk= 25, iat= 859, 866, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106 ASP  HN          117 LEU  MDX         5.50    (#   3689:25  Unique         3.03, 6.18 A)
 &rst
  ixpk= 3689, nxpk= 25, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1766,1767,1768,1770,1771,1772,
 &end
#
#    0 AMB  25-2:3690   106 ASP  HA          7.00    (#   3690:25  Single Ambig)
 &rst
  ixpk= 3690, nxpk= 25, iat=  -1,1616, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1604,1605,1552,1553,
 &end
#
#  116 GLN  HA          106 ASP  HB+         5.50    (#   3691:25  Unique         2.72, 7.43 A)
 &rst
  ixpk= 3691, nxpk= 25, iat=1742,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1618,1619,
 &end
#
#    0 AMB  25-2:3692     0 AMB  25-1:3692   4.50    (#   3692:25  Double Ambig)
 &rst
  ixpk= 3692, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1630,1631,1632,1563,1564,
 igr2=1618,1619,1618,1619,
 &end
#
#  106 ASP  HB-         107 ALA  HA          5.50    (#   3693:25  Unique         4.36, 5.23 A)
 &rst
  ixpk= 3693, nxpk= 25, iat=  -1,1628, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1618,1619,
 &end
#
#   81 GLY  HA-         107 ALA  MB          4.50    (#   3694:25  Unique         2.60, 3.90 A)
 &rst
  ixpk= 3694, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1230,1231,
 igr2=1630,1631,1632,
 &end
#
#    0 AMB  25-2:3697   108 ALA  HA          5.50    (#   3697:25  Single Ambig)
 &rst
  ixpk= 3697, nxpk= 25, iat=  -1,1638, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1601,1602,1582,1583, 322, 323,
 &end
#
#   46 ALA  HA          110 THR  MG2         3.50    (#   3698:25  Unique         2.29, 3.16 A)
 &rst
  ixpk= 3698, nxpk= 25, iat= 704,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1662,1663,1664,
 &end
#
#  111 ALA  HN          110 THR  MG2         4.50    (#   3699:25  Unique         3.32, 4.86 A)
 &rst
  ixpk= 3699, nxpk= 25, iat=1670,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1662,1663,1664,
 &end
#
#  112 LYS  HN          111 ALA  MB          4.50    (#   3700:25  Unique         3.63, 4.41 A)
 &rst
  ixpk= 3700, nxpk= 25, iat=1680,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1674,1675,1676,
 &end
#
#  113 ASN  HB+         113 ASN  HA          4.50    (#   3701:25  Unique         2.30, 2.71 A)
 &rst
  ixpk= 3701, nxpk= 25, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1706,1707,
 &end
#
#  113 ASN  HB-         113 ASN  HA          4.50    (#   3702:25  Unique         2.30, 2.71 A)
 &rst
  ixpk= 3702, nxpk= 25, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1706,1707,
 &end
#
#  114 PRO  HD+         113 ASN  HA          3.50    (#   3703:25  Unique         2.11, 2.54 A)
 &rst
  ixpk= 3703, nxpk= 25, iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1717,1718,
 &end
#
#  113 ASN  HA          114 PRO  QG          5.50    (#   3704:25  Unique         4.28, 4.64 A)
 &rst
  ixpk= 3704, nxpk= 25, iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1720,1721,
 &end
#
#  117 LEU  HN          117 LEU  HA          5.50    (#   3705:25  Unique         2.76, 2.87 A)
 &rst
  ixpk= 3705, nxpk= 25, iat=1757,1759, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 ALA  MB            6 GLU  HG-         5.50    (#   3706:25  Unique         3.62, 5.70 A)
 &rst
  ixpk= 3706, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 131, 132, 133,
 igr2=  88,  89,
 &end
#
#   48 TYR  HE           38 LYS  HG+         5.50    (#   3707:25  Unique         2.25, 4.88 A)
 &rst
  ixpk= 3707, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 733, 738,
 igr2= 578, 579,
 &end
#
#   48 TYR  HE           38 LYS  HG-         5.50    (#   3708:25  Unique         2.25, 4.88 A)
 &rst
  ixpk= 3708, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 733, 738,
 igr2= 578, 579,
 &end
#
#   38 LYS  HA           38 LYS  HG+         5.50    (#   3709:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 3709, nxpk= 25, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 578, 579,
 &end
#
#   38 LYS  HA           38 LYS  HG-         5.50    (#   3710:25  Unique         2.43, 2.76 A)
 &rst
  ixpk= 3710, nxpk= 25, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 578, 579,
 &end
#
#    0 AMB  25-2:3711    38 LYS  HG-         5.50    (#   3711:25  Single Ambig)
 &rst
  ixpk= 3711, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 584, 585, 584, 585,
 igr2= 578, 579,
 &end
#
#    0 AMB  25-2:3712     0 AMB  25-1:3712   5.50    (#   3712:25  Double Ambig)
 &rst
  ixpk= 3712, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 584, 585, 584, 585,
 igr2= 578, 579, 578, 579,
 &end
#
#    0 AMB  25-2:3713    38 LYS  HG-         5.50    (#   3713:25  Single Ambig)
 &rst
  ixpk= 3713, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 575, 576, 559,
 igr2= 578, 579,
 &end
#
#    0 AMB  25-2:3714     0 AMB  25-1:3714   5.50    (#   3714:25  Double Ambig)
 &rst
  ixpk= 3714, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 575, 576, 559,
 igr2= 578, 579, 578, 579,
 &end
#
#   95 HIS  HD2          95 HIS  HE1         5.50    (#      0:26  Unique         4.26, 4.26 A)
 &rst
  ixpk= 0, nxpk= 26, iat=1433,1430, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  26-2:1       95 HIS  HE1         4.50    (#      1:26  Single Ambig)
 &rst
  ixpk= 1, nxpk= 26, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1533,1530,1531,
 &end
#
#   44 VAL  HB           95 HIS  HE1         5.50    (#      3:26  Unique         2.55, 4.43 A)
 &rst
  ixpk= 3, nxpk= 26, iat= 683,1430, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  101 LEU  MDY          95 HIS  HE1         4.50    (#      4:26  Unique         2.80, 5.78 A)
 &rst
  ixpk= 4, nxpk= 26, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1535,1536,1537,1539,1540,1541,
 &end
#
#   44 VAL  MGY          95 HIS  HE1         2.50    (#      5:26  Unique         2.43, 4.25 A)
 &rst
  ixpk= 5, nxpk= 26, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
#   40 LEU  MDX          95 HIS  HE1         5.50    (#      6:26  Unique         4.85, 6.56 A)
 &rst
  ixpk= 6, nxpk= 26, iat=  -1,1430, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  26-2:8       68 HIS  HE1         4.50    (#      8:26  Single Ambig)
 &rst
  ixpk= 8, nxpk= 26, iat=  -1,1032, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 105, 106, 107, 109, 110, 111, 105, 106, 107, 109,
       110, 111,
 &end
#
#   50 VAL  MGX          48 TYR  HD          2.50    (#      9:26  Unique         2.39, 6.27 A)
 &rst
  ixpk= 9, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 772, 773, 774, 776, 777, 778,
 igr2= 731, 740,
 &end
#
#   48 TYR  HB-          48 TYR  HD          3.50    (#     10:26  Unique         2.35, 3.08 A)
 &rst
  ixpk= 10, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 727, 728,
 igr2= 731, 740,
 &end
#
#   30 TYR  HN           30 TYR  HD          4.50    (#     11:26  Unique         2.36, 3.47 A)
 &rst
  ixpk= 11, nxpk= 26, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 455, 464,
 &end
#
#   48 TYR  HN           48 TYR  HD          4.50    (#     12:26  Unique         2.17, 3.82 A)
 &rst
  ixpk= 12, nxpk= 26, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 731, 740,
 &end
#
#   48 TYR  HB+          48 TYR  HD          3.50    (#     13:26  Unique         2.35, 3.08 A)
 &rst
  ixpk= 13, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 727, 728,
 igr2= 731, 740,
 &end
#
#   46 ALA  MB           48 TYR  HD          3.50    (#     14:26  Unique         2.45, 5.67 A)
 &rst
  ixpk= 14, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 706, 707, 708,
 igr2= 731, 740,
 &end
#
#   41 LEU  HB-          48 TYR  HD          3.50    (#     15:26  Unique         2.22, 4.15 A)
 &rst
  ixpk= 15, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 633, 634,
 igr2= 731, 740,
 &end
#
#   25 VAL  MGY          48 TYR  HD          4.50    (#     16:26  Unique         2.61, 6.31 A)
 &rst
  ixpk= 16, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 370, 371, 372, 374, 375, 376,
 igr2= 731, 740,
 &end
#
#   41 LEU  MDY          48 TYR  HD          4.50    (#     17:26  Unique         2.95, 5.37 A)
 &rst
  ixpk= 17, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 731, 740,
 &end
#
#   49 LYS  HN           48 TYR  HD          5.50    (#     18:26  Unique         3.11, 4.48 A)
 &rst
  ixpk= 18, nxpk= 26, iat= 744,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 731, 740,
 &end
#
#   30 TYR  HE           30 TYR  HD          2.50    (#     20:26  Unique         2.46, 3.72 A)
 &rst
  ixpk= 20, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 457, 462,
 igr2= 455, 464,
 &end
#
#   30 TYR  HA           30 TYR  HD          4.50    (#     21:26  Unique         4.13, 4.23 A)
 &rst
  ixpk= 21, nxpk= 26, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 455, 464,
 &end
#
#   30 TYR  HB-          30 TYR  HD          2.50    (#     22:26  Unique         2.41, 3.09 A)
 &rst
  ixpk= 22, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 451, 452,
 igr2= 455, 464,
 &end
#
#   30 TYR  HB+          30 TYR  HD          2.50    (#     23:26  Unique         2.41, 3.09 A)
 &rst
  ixpk= 23, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 451, 452,
 igr2= 455, 464,
 &end
#
#   48 TYR  HA           48 TYR  HD          4.50    (#     24:26  Unique         4.16, 4.27 A)
 &rst
  ixpk= 24, nxpk= 26, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 731, 740,
 &end
#
#    0 AMB  26-2:25      33 TYR  HD          3.50    (#     25:26  Single Ambig)
 &rst
  ixpk= 25, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 489, 490, 541, 542,
 igr2= 493, 502,
 &end
#
#   33 TYR  HN           33 TYR  HD          4.50    (#     27:26  Unique         2.20, 3.60 A)
 &rst
  ixpk= 27, nxpk= 26, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 493, 502,
 &end
#
#   33 TYR  HE           33 TYR  HD          2.50    (#     28:26  Unique         2.47, 3.73 A)
 &rst
  ixpk= 28, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 495, 500,
 igr2= 493, 502,
 &end
#
#   33 TYR  HA           33 TYR  HD          4.50    (#     30:26  Unique         2.42, 3.46 A)
 &rst
  ixpk= 30, nxpk= 26, iat= 487,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 493, 502,
 &end
#
#   33 TYR  HB-          33 TYR  HD          4.50    (#     31:26  Unique         2.36, 3.09 A)
 &rst
  ixpk= 31, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 489, 490,
 igr2= 493, 502,
 &end
#
#   26 PHE  HE           26 PHE  HD          2.50    (#     35:26  Unique         2.47, 3.73 A)
 &rst
  ixpk= 35, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 390, 394,
 igr2= 388, 396,
 &end
#
#   51 VAL  HB           26 PHE  HD          4.50    (#     36:26  Unique         2.41, 4.03 A)
 &rst
  ixpk= 36, nxpk= 26, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 388, 396,
 &end
#
#   26 PHE  HA           26 PHE  HD          4.50    (#     37:26  Unique         2.74, 3.55 A)
 &rst
  ixpk= 37, nxpk= 26, iat= 382,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 388, 396,
 &end
#
#   26 PHE  HB+          26 PHE  HD          4.50    (#     38:26  Unique         2.39, 3.09 A)
 &rst
  ixpk= 38, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 384, 385,
 igr2= 388, 396,
 &end
#
#    0 AMB  26-2:39      26 PHE  HD          2.50    (#     39:26  Single Ambig)
 &rst
  ixpk= 39, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 822, 823, 824, 826, 827, 828, 788, 789, 790, 792,
       793, 794,
 igr2= 388, 396,
 &end
#
#    0 AMB  26-2:40      26 PHE  HD          4.50    (#     40:26  Single Ambig)
 &rst
  ixpk= 40, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1002,1003,1004,1006,1007,1008, 354, 355, 356, 358,
       359, 360,
 igr2= 388, 396,
 &end
#
#   26 PHE  HN           26 PHE  HD          4.50    (#     41:26  Unique         2.32, 3.65 A)
 &rst
  ixpk= 41, nxpk= 26, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 388, 396,
 &end
#
#   26 PHE  HB-          26 PHE  HD          4.50    (#     42:26  Unique         2.39, 3.09 A)
 &rst
  ixpk= 42, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 384, 385,
 igr2= 388, 396,
 &end
#
#   53 LEU  MDX          26 PHE  HD          3.50    (#     43:26  Unique         2.16, 5.45 A)
 &rst
  ixpk= 43, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2= 388, 396,
 &end
#
#   79 PHE  HE           79 PHE  HD          3.50    (#     44:26  Unique         2.47, 3.72 A)
 &rst
  ixpk= 44, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1199,1203,
 igr2=1197,1205,
 &end
#
#   79 PHE  HD           79 PHE  HE          3.50    (#     45:26  Unique         2.47, 3.72 A)
 &rst
  ixpk= 45, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1197,1205,
 igr2=1199,1203,
 &end
#
#    0 AMB  26-2:46      26 PHE  HE          4.50    (#     46:26  Single Ambig)
 &rst
  ixpk= 46, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 261, 262, 822, 823, 824, 826, 827, 828,
 igr2= 390, 394,
 &end
#
#   26 PHE  HZ           26 PHE  HE          2.50    (#     47:26  Unique         2.48, 2.48 A)
 &rst
  ixpk= 47, nxpk= 26, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 390, 394,
 &end
#
#    0 AMB  26-2:48      26 PHE  HE          2.50    (#     48:26  Single Ambig)
 &rst
  ixpk= 48, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 788, 789, 790, 792, 793, 794, 280, 281, 282, 354,
       355, 356, 358, 359, 360,
 igr2= 390, 394,
 &end
#
#   26 PHE  HD           26 PHE  HE          2.50    (#     50:26  Unique         2.47, 3.73 A)
 &rst
  ixpk= 50, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 388, 396,
 igr2= 390, 394,
 &end
#
#   79 PHE  HD           79 PHE  HZ          5.50    (#     52:26  Unique         4.29, 4.30 A)
 &rst
  ixpk= 52, nxpk= 26, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1197,1205,
 &end
#
#   79 PHE  HE           79 PHE  HZ          2.50    (#     53:26  Unique         2.48, 2.49 A)
 &rst
  ixpk= 53, nxpk= 26, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=1199,1203,
 &end
#
#    0 AMB  26-2:54      79 PHE  HZ          3.50    (#     54:26  Single Ambig)
 &rst
  ixpk= 54, nxpk= 26, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1069,1070,1071,1002,1003,1004,1006,1007,1008,
 &end
#
#   17 LEU  HB+          26 PHE  HZ          4.50    (#     55:26  Unique         2.41, 2.81 A)
 &rst
  ixpk= 55, nxpk= 26, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#   26 PHE  HE           26 PHE  HZ          2.50    (#     56:26  Unique         2.48, 2.48 A)
 &rst
  ixpk= 56, nxpk= 26, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 390, 394,
 &end
#
#    0 AMB  26-2:57      26 PHE  HZ          3.50    (#     57:26  Single Ambig)
 &rst
  ixpk= 57, nxpk= 26, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 280, 281, 282, 354, 355, 356, 358, 359, 360,
 &end
#
#   69 TRP  HB-          69 TRP  HD1         4.50    (#     58:26  Unique         3.26, 3.60 A)
 &rst
  ixpk= 58, nxpk= 26, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1043,1044,
 &end
#
#   69 TRP  HE1          69 TRP  HD1         2.50    (#     59:26  Unique         2.52, 2.52 A)
 &rst
  ixpk= 59, nxpk= 26, iat=1049,1047, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   69 TRP  HZ2          69 TRP  HH2         2.50    (#     61:26  Unique         2.49, 2.49 A)
 &rst
  ixpk= 61, nxpk= 26, iat=1052,1054, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   15 LYS  HA           69 TRP  HH2         4.50    (#     62:26  Unique         2.21, 2.39 A)
 &rst
  ixpk= 62, nxpk= 26, iat= 222,1054, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 TRP  HB-          69 TRP  HD1         5.50    (#     63:26  Unique         3.26, 3.60 A)
 &rst
  ixpk= 63, nxpk= 26, iat=  -1,1047, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1043,1044,
 &end
#
#   18 ALA  MB           69 TRP  HH2         3.50    (#     64:26  Unique         2.34, 2.86 A)
 &rst
  ixpk= 64, nxpk= 26, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 280, 281, 282,
 &end
#
#   69 TRP  HZ3          69 TRP  HH2         3.50    (#     65:26  Unique         2.48, 2.48 A)
 &rst
  ixpk= 65, nxpk= 26, iat=1056,1054, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 LYS  HA           69 TRP  HZ3         4.50    (#     66:26  Unique         3.23, 3.45 A)
 &rst
  ixpk= 66, nxpk= 26, iat= 222,1056, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 TRP  HE3          69 TRP  HZ3         3.50    (#     67:26  Unique         2.48, 2.49 A)
 &rst
  ixpk= 67, nxpk= 26, iat=1058,1056, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 TRP  HH2          69 TRP  HZ3         2.50    (#     68:26  Unique         2.48, 2.48 A)
 &rst
  ixpk= 68, nxpk= 26, iat=1054,1056, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   18 ALA  MB           69 TRP  HZ3         3.50    (#     69:26  Unique         2.69, 3.77 A)
 &rst
  ixpk= 69, nxpk= 26, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 280, 281, 282,
 &end
#
#   66 LEU  MDX          69 TRP  HZ3         3.50    (#     70:26  Unique         3.02, 4.29 A)
 &rst
  ixpk= 70, nxpk= 26, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   14 ALA  MB           69 TRP  HZ3         4.50    (#     71:26  Unique         2.32, 3.18 A)
 &rst
  ixpk= 71, nxpk= 26, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 214, 215, 216,
 &end
#
#   11 LEU  MDX          68 HIS  HD2         4.50    (#     73:26  Unique         2.15, 4.58 A)
 &rst
  ixpk= 73, nxpk= 26, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   11 LEU  MDY          68 HIS  HD2         5.50    (#     74:26  Unique         2.15, 4.58 A)
 &rst
  ixpk= 74, nxpk= 26, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#    0 AMB  26-2:75      68 HIS  HD2         3.50    (#     75:26  Single Ambig)
 &rst
  ixpk= 75, nxpk= 26, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1043,1044,1026,1027,
 &end
#
#   65 ALA  MB           68 HIS  HD2         5.50    (#     77:26  Unique         3.59, 4.80 A)
 &rst
  ixpk= 77, nxpk= 26, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 987, 988, 989,
 &end
#
#   69 TRP  HN           68 HIS  HD2         5.50    (#     78:26  Unique         2.71, 2.82 A)
 &rst
  ixpk= 78, nxpk= 26, iat=1039,1035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  26-2:79      68 HIS  HD2         5.50    (#     79:26  Single Ambig)
 &rst
  ixpk= 79, nxpk= 26, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 117, 974,
 &end
#
#   65 ALA  HA           68 HIS  HD2         5.50    (#     80:26  Unique         2.97, 3.24 A)
 &rst
  ixpk= 80, nxpk= 26, iat= 985,1035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  26-2:81      68 HIS  HD2         3.50    (#     81:26  Single Ambig)
 &rst
  ixpk= 81, nxpk= 26, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1043,1044,1026,1027,1026,1027,
 &end
#
#   11 LEU  MDY          68 HIS  HD2         4.50    (#     82:26  Unique         2.15, 4.58 A)
 &rst
  ixpk= 82, nxpk= 26, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   69 TRP  HE1          68 HIS  HD2         7.00    (#     83:26  Unique         6.88, 7.01 A)
 &rst
  ixpk= 83, nxpk= 26, iat=1049,1035, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   69 TRP  HE3          68 HIS  HD2         5.50    (#     84:26  Unique         5.50, 5.53 A)
 &rst
  ixpk= 84, nxpk= 26, iat=1058,1035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  MDX          68 HIS  HD2         4.50    (#     85:26  Unique         2.15, 4.58 A)
 &rst
  ixpk= 85, nxpk= 26, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   68 HIS  HN           68 HIS  HD2         5.50    (#     86:26  Unique         4.16, 4.25 A)
 &rst
  ixpk= 86, nxpk= 26, iat=1022,1035, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 TRP  HZ3          69 TRP  HE3         3.50    (#     88:26  Unique         2.48, 2.49 A)
 &rst
  ixpk= 88, nxpk= 26, iat=1056,1058, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   66 LEU  HA           69 TRP  HE3         4.50    (#     89:26  Unique         2.36, 2.85 A)
 &rst
  ixpk= 89, nxpk= 26, iat= 995,1058, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 TRP  HB-          69 TRP  HE3         3.50    (#     90:26  Unique         2.47, 2.97 A)
 &rst
  ixpk= 90, nxpk= 26, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1043,1044,
 &end
#
#   66 LEU  MDX          69 TRP  HE3         2.50    (#     91:26  Unique         2.32, 3.86 A)
 &rst
  ixpk= 91, nxpk= 26, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  26-2:92      69 TRP  HE3         5.50    (#     92:26  Single Ambig)
 &rst
  ixpk= 92, nxpk= 26, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1054, 390, 394,1035,
 &end
#
#    0 AMB  26-2:93      69 TRP  HE3         4.50    (#     93:26  Single Ambig)
 &rst
  ixpk= 93, nxpk= 26, iat=  -1,1058, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 214, 215, 216, 154,
 &end
#
#   54 ASP  HB+          30 TYR  HE          5.50    (#     94:26  Unique         3.53, 6.55 A)
 &rst
  ixpk= 94, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 836, 837,
 igr2= 457, 462,
 &end
#
#   28 LYS  HE+          30 TYR  HE          5.50    (#     95:26  Unique         2.74, 6.90 A)
 &rst
  ixpk= 95, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 424, 425,
 igr2= 457, 462,
 &end
#
#    0 AMB  26-2:96      30 TYR  HE          4.50    (#     96:26  Single Ambig)
 &rst
  ixpk= 96, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 421, 422, 418, 419,
 igr2= 457, 462,
 &end
#
#   28 LYS  HD-          30 TYR  HE          5.50    (#     97:26  Unique         2.66, 5.02 A)
 &rst
  ixpk= 97, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 421, 422,
 igr2= 457, 462,
 &end
#
#   33 TYR  HD           33 TYR  HE          2.50    (#     99:26  Unique         2.47, 3.73 A)
 &rst
  ixpk= 99, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 493, 502,
 igr2= 495, 500,
 &end
#
#   30 TYR  HD           30 TYR  HE          2.50    (#    100:26  Unique         2.46, 3.72 A)
 &rst
  ixpk= 100, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 455, 464,
 igr2= 457, 462,
 &end
#
#   54 ASP  HB-          30 TYR  HE          5.50    (#    102:26  Unique         3.53, 6.55 A)
 &rst
  ixpk= 102, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 836, 837,
 igr2= 457, 462,
 &end
#
#   95 HIS  HB+          95 HIS  HD2         4.50    (#    104:26  Unique         2.57, 3.11 A)
 &rst
  ixpk= 104, nxpk= 26, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1424,1425,
 &end
#
#   42 THR  HA           48 TYR  HE          4.50    (#    105:26  Unique         2.59, 4.88 A)
 &rst
  ixpk= 105, nxpk= 26, iat= 650,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 733, 738,
 &end
#
#   38 LYS  HE+          48 TYR  HE          4.50    (#    106:26  Unique         2.70, 5.43 A)
 &rst
  ixpk= 106, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 584, 585,
 igr2= 733, 738,
 &end
#
#   46 ALA  MB           48 TYR  HE          4.50    (#    108:26  Unique         4.07, 7.00 A)
 &rst
  ixpk= 108, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 706, 707, 708,
 igr2= 733, 738,
 &end
#
#   50 VAL  MGX          48 TYR  HE          3.50    (#    109:26  Unique         2.26, 5.95 A)
 &rst
  ixpk= 109, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 772, 773, 774, 776, 777, 778,
 igr2= 733, 738,
 &end
#
#   41 LEU  HB-          48 TYR  HE          3.50    (#    110:26  Unique         2.76, 4.35 A)
 &rst
  ixpk= 110, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 633, 634,
 igr2= 733, 738,
 &end
#
#   41 LEU  MDY          48 TYR  HE          4.50    (#    111:26  Unique         3.94, 6.35 A)
 &rst
  ixpk= 111, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 733, 738,
 &end
#
#   95 HIS  HB-          95 HIS  HD2         4.50    (#    112:26  Unique         2.57, 3.11 A)
 &rst
  ixpk= 112, nxpk= 26, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1424,1425,
 &end
#
#    0 AMB  26-2:113     95 HIS  HD2         4.50    (#    113:26  Single Ambig)
 &rst
  ixpk= 113, nxpk= 26, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 685, 686, 687, 689, 690, 691,1516,1517,1518,1520,
      1521,1522,1516,1517,1518,1520,1521,1522,
 &end
#
#   40 LEU  MDX          95 HIS  HD2         3.50    (#    114:26  Unique         2.38, 4.23 A)
 &rst
  ixpk= 114, nxpk= 26, iat=  -1,1433, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   69 TRP  HE1          69 TRP  HZ2         4.50    (#    115:26  Unique         2.91, 2.92 A)
 &rst
  ixpk= 115, nxpk= 26, iat=1049,1052, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 TRP  HH2          69 TRP  HZ2         2.50    (#    116:26  Unique         2.49, 2.49 A)
 &rst
  ixpk= 116, nxpk= 26, iat=1054,1052, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  26-2:117     69 TRP  HZ2         4.50    (#    117:26  Single Ambig)
 &rst
  ixpk= 117, nxpk= 26, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 280, 281, 282, 156, 157, 158, 160, 161, 162,
 &end
#
#   68 HIS  HA           68 HIS  HE1         7.00    (#    118:26  Unique         5.50, 5.59 A)
 &rst
  ixpk= 118, nxpk= 26, iat=1024,1032, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   68 HIS  HD2          68 HIS  HE1         5.50    (#    119:26  Unique         4.26, 4.27 A)
 &rst
  ixpk= 119, nxpk= 26, iat=1035,1032, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 THR  HN           48 TYR  HD          5.50    (#    121:26  Unique         4.57, 5.98 A)
 &rst
  ixpk= 121, nxpk= 26, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 731, 740,
 &end
#
#    0 AMB  26-2:123     48 TYR  HD          4.50    (#    123:26  Single Ambig)
 &rst
  ixpk= 123, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 714, 704,
 igr2= 731, 740,
 &end
#
#   23 VAL  HB           48 TYR  HD          5.50    (#    124:26  Unique         4.50, 4.91 A)
 &rst
  ixpk= 124, nxpk= 26, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 731, 740,
 &end
#
#   25 VAL  HB           48 TYR  HD          5.50    (#    125:26  Unique         3.53, 5.85 A)
 &rst
  ixpk= 125, nxpk= 26, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 731, 740,
 &end
#
#   50 VAL  HB           48 TYR  HD          5.50    (#    126:26  Unique         2.53, 6.26 A)
 &rst
  ixpk= 126, nxpk= 26, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 731, 740,
 &end
#
#   38 LYS  HG-          48 TYR  HD          5.50    (#    127:26  Unique         4.01, 6.07 A)
 &rst
  ixpk= 127, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 578, 579,
 igr2= 731, 740,
 &end
#
#   41 LEU  MDX          48 TYR  HD          5.50    (#    128:26  Unique         2.95, 5.37 A)
 &rst
  ixpk= 128, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 731, 740,
 &end
#
#   31 CYS  HA           30 TYR  HD          5.50    (#    129:26  Unique         2.76, 4.50 A)
 &rst
  ixpk= 129, nxpk= 26, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 455, 464,
 &end
#
#   28 LYS  QG           30 TYR  HD          5.50    (#    130:26  Unique         5.30, 7.33 A)
 &rst
  ixpk= 130, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 418, 419,
 igr2= 455, 464,
 &end
#
#   28 LYS  HB+          30 TYR  HD          5.50    (#    132:26  Unique         3.43, 5.19 A)
 &rst
  ixpk= 132, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 415, 416,
 igr2= 455, 464,
 &end
#
#   32 GLY  QA           33 TYR  HD          5.50    (#    133:26  Unique         4.27, 6.11 A)
 &rst
  ixpk= 133, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 480, 481,
 igr2= 493, 502,
 &end
#
#   76 PRO  HD+          33 TYR  HD          5.50    (#    134:26  Unique         3.81, 4.91 A)
 &rst
  ixpk= 134, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1146,1147,
 igr2= 493, 502,
 &end
#
#   88 CYS  HB-          33 TYR  HD          5.50    (#    135:26  Unique         2.27, 4.66 A)
 &rst
  ixpk= 135, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1318,1319,
 igr2= 493, 502,
 &end
#
#   34 CYS  HN           33 TYR  HD          5.50    (#    136:26  Unique         4.49, 5.16 A)
 &rst
  ixpk= 136, nxpk= 26, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 493, 502,
 &end
#
#   77 ASN  HB+          26 PHE  HD          5.50    (#    138:26  Unique         2.69, 5.23 A)
 &rst
  ixpk= 138, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1163,1164,
 igr2= 388, 396,
 &end
#
#   66 LEU  MDX          26 PHE  HD          5.50    (#    139:26  Unique         2.81, 4.87 A)
 &rst
  ixpk= 139, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2= 388, 396,
 &end
#
#   51 VAL  MGX          26 PHE  HD          5.50    (#    140:26  Unique         2.52, 5.49 A)
 &rst
  ixpk= 140, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 788, 789, 790, 792, 793, 794,
 igr2= 388, 396,
 &end
#
#   14 ALA  HA           26 PHE  HZ          5.50    (#    142:26  Unique         3.00, 3.20 A)
 &rst
  ixpk= 142, nxpk= 26, iat= 212, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 ALA  HA           26 PHE  HZ          5.50    (#    143:26  Unique         3.08, 3.27 A)
 &rst
  ixpk= 143, nxpk= 26, iat= 278, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 VAL  MGX          26 PHE  HZ          5.50    (#    144:26  Unique         3.26, 5.06 A)
 &rst
  ixpk= 144, nxpk= 26, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   18 ALA  HN           26 PHE  HZ          5.50    (#    145:26  Unique         2.51, 2.59 A)
 &rst
  ixpk= 145, nxpk= 26, iat= 276, 392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 LYS  HN           69 TRP  HZ3         5.50    (#    147:26  Unique         3.84, 4.06 A)
 &rst
  ixpk= 147, nxpk= 26, iat= 220,1056, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 PHE  HE           69 TRP  HZ3         5.50    (#    148:26  Unique         3.61, 4.28 A)
 &rst
  ixpk= 148, nxpk= 26, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1199,1203,
 &end
#
#   53 LEU  HG           26 PHE  HD          5.50    (#    150:26  Unique         2.99, 5.73 A)
 &rst
  ixpk= 150, nxpk= 26, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 388, 396,
 &end
#
#   67 ALA  HA           68 HIS  HD2         7.00    (#    151:26  Unique         7.01, 7.08 A)
 &rst
  ixpk= 151, nxpk= 26, iat=1014,1035, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   41 LEU  MDX          48 TYR  HE          5.50    (#    152:26  Unique         3.94, 6.35 A)
 &rst
  ixpk= 152, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 638, 639, 640, 642, 643, 644,
 igr2= 733, 738,
 &end
#
#   25 VAL  MGY          48 TYR  HE          5.50    (#    153:26  Unique         3.92, 7.04 A)
 &rst
  ixpk= 153, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 370, 371, 372, 374, 375, 376,
 igr2= 733, 738,
 &end
#
#   38 LYS  HD+          48 TYR  HE          4.50    (#    154:26  Unique         3.56, 6.49 A)
 &rst
  ixpk= 154, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 581, 582,
 igr2= 733, 738,
 &end
#
#   23 VAL  HB           48 TYR  HE          7.00    (#    155:26  Unique         6.90, 7.18 A)
 &rst
  ixpk= 155, nxpk= 26, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr2= 733, 738,
 &end
#
#   25 VAL  HB           48 TYR  HE          5.50    (#    156:26  Unique         4.33, 6.52 A)
 &rst
  ixpk= 156, nxpk= 26, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 733, 738,
 &end
#
#   48 TYR  HB-          48 TYR  HE          5.50    (#    157:26  Unique         4.64, 5.09 A)
 &rst
  ixpk= 157, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 727, 728,
 igr2= 733, 738,
 &end
#
#   38 LYS  HA           48 TYR  HE          5.50    (#    158:26  Unique         2.86, 3.99 A)
 &rst
  ixpk= 158, nxpk= 26, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 733, 738,
 &end
#
#   47 SER  HA           48 TYR  HE          5.50    (#    159:26  Unique         4.73, 6.44 A)
 &rst
  ixpk= 159, nxpk= 26, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 733, 738,
 &end
#
#    0 AMB  26-2:160     48 TYR  HE          5.50    (#    160:26  Single Ambig)
 &rst
  ixpk= 160, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 723, 695,
 igr2= 733, 738,
 &end
#
#    0 AMB  26-2:161     48 TYR  HE          5.50    (#    161:26  Single Ambig)
 &rst
  ixpk= 161, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 629, 571,
 igr2= 733, 738,
 &end
#
#   42 THR  HN           48 TYR  HE          5.50    (#    162:26  Unique         3.09, 4.72 A)
 &rst
  ixpk= 162, nxpk= 26, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 733, 738,
 &end
#
#   15 LYS  HE+          69 TRP  HZ2         5.50    (#    164:26  Unique         2.68, 3.55 A)
 &rst
  ixpk= 164, nxpk= 26, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 233, 234,
 &end
#
#   15 LYS  HE-          69 TRP  HZ2         5.50    (#    165:26  Unique         2.68, 3.55 A)
 &rst
  ixpk= 165, nxpk= 26, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 233, 234,
 &end
#
#    0 AMB  15-2:0      117 LEU  HN          3.50    (#      0:15  Single Ambig)
 &rst
  ixpk= 0, nxpk= 15, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1742,1555,
 &end
#
#  117 LEU  HA          117 LEU  HN          5.50    (#      1:15  Unique         2.76, 2.87 A)
 &rst
  ixpk= 1, nxpk= 15, iat=1759,1757, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  116 GLN  HB+         117 LEU  HN          5.50    (#      2:15  Unique         1.95, 3.57 A)
 &rst
  ixpk= 2, nxpk= 15, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1744,1745,
 &end
#
#    0 AMB  15-2:3      117 LEU  HN          4.50    (#      3:15  Single Ambig)
 &rst
  ixpk= 3, nxpk= 15, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1761,1762,1764,
 &end
#
#  116 GLN  QG          117 LEU  HN          5.50    (#      4:15  Unique         2.47, 4.38 A)
 &rst
  ixpk= 4, nxpk= 15, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1747,1748,
 &end
#
#  116 GLN  HB-         117 LEU  HN          5.50    (#      5:15  Unique         1.95, 3.57 A)
 &rst
  ixpk= 5, nxpk= 15, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1744,1745,
 &end
#
#    0 AMB  15-2:6       51 VAL  HN          5.50    (#      6:15  Single Ambig)
 &rst
  ixpk= 6, nxpk= 15, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 364, 380,
 &end
#
#   50 VAL  HN           51 VAL  HN          5.50    (#      7:15  Unique         4.26, 4.34 A)
 &rst
  ixpk= 7, nxpk= 15, iat= 766, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 VAL  HA           51 VAL  HN          3.50    (#      8:15  Unique         2.20, 2.26 A)
 &rst
  ixpk= 8, nxpk= 15, iat= 768, 782, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 VAL  HA           51 VAL  HN          4.50    (#      9:15  Unique         2.96, 2.97 A)
 &rst
  ixpk= 9, nxpk= 15, iat= 784, 782, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:10      51 VAL  HN          5.50    (#     10:15  Single Ambig)
 &rst
  ixpk= 10, nxpk= 15, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 368, 805, 806,
 &end
#
#   51 VAL  HB           51 VAL  HN          4.50    (#     11:15  Unique         2.64, 2.84 A)
 &rst
  ixpk= 11, nxpk= 15, iat= 786, 782, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 VAL  MGX          51 VAL  HN          4.50    (#     12:15  Unique         2.30, 4.10 A)
 &rst
  ixpk= 12, nxpk= 15, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 772, 773, 774, 776, 777, 778,
 &end
#
#    0 AMB  15-2:13      51 VAL  HN          3.50    (#     13:15  Single Ambig)
 &rst
  ixpk= 13, nxpk= 15, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 772, 773, 774, 776, 777, 778, 788, 789, 790, 792,
       793, 794,
 &end
#
#   25 VAL  MGX          51 VAL  HN          5.50    (#     14:15  Unique         4.25, 5.82 A)
 &rst
  ixpk= 14, nxpk= 15, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   51 VAL  MGX          51 VAL  HN          4.50    (#     15:15  Unique         2.69, 4.22 A)
 &rst
  ixpk= 15, nxpk= 15, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#   24 VAL  MGX          51 VAL  HN          5.50    (#     16:15  Unique         4.54, 6.59 A)
 &rst
  ixpk= 16, nxpk= 15, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   27 SER  HN           51 VAL  HN          5.50    (#     17:15  Unique         3.26, 3.51 A)
 &rst
  ixpk= 17, nxpk= 15, iat= 400, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 PHE  HA           51 VAL  HN          4.50    (#     18:15  Unique         2.83, 2.97 A)
 &rst
  ixpk= 18, nxpk= 15, iat= 382, 782, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 VAL  HB           51 VAL  HN          5.50    (#     19:15  Unique         3.76, 3.90 A)
 &rst
  ixpk= 19, nxpk= 15, iat= 770, 782, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 VAL  HA           79 PHE  HN          5.50    (#     20:15  Unique         3.52, 3.69 A)
 &rst
  ixpk= 20, nxpk= 15, iat= 366,1189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:21      79 PHE  HN          5.50    (#     21:15  Single Ambig)
 &rst
  ixpk= 21, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1209,1159,
 &end
#
#   24 VAL  HN           79 PHE  HN          4.50    (#     22:15  Unique         2.80, 2.86 A)
 &rst
  ixpk= 22, nxpk= 15, iat= 348,1189, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 PHE  HD           79 PHE  HN          4.50    (#     23:15  Unique         2.82, 4.21 A)
 &rst
  ixpk= 23, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1197,1205,
 &end
#
#   78 VAL  MGX          79 PHE  HN          4.50    (#     24:15  Unique         2.53, 4.12 A)
 &rst
  ixpk= 24, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1179,1180,1181,1183,1184,1185,
 &end
#
#   24 VAL  MGX          79 PHE  HN          5.50    (#     25:15  Unique         4.85, 5.78 A)
 &rst
  ixpk= 25, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   79 PHE  HE           79 PHE  HN          7.00    (#     26:15  Unique         5.23, 6.24 A)
 &rst
  ixpk= 26, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1199,1203,
 &end
#
#   79 PHE  HA           79 PHE  HN          5.50    (#     27:15  Unique         2.97, 2.97 A)
 &rst
  ixpk= 27, nxpk= 15, iat=1191,1189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 PHE  HB+          79 PHE  HN          4.50    (#     29:15  Unique         2.50, 3.11 A)
 &rst
  ixpk= 29, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1193,1194,
 &end
#
#   79 PHE  HB-          79 PHE  HN          5.50    (#     30:15  Unique         2.50, 3.11 A)
 &rst
  ixpk= 30, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#   24 VAL  HB           79 PHE  HN          4.50    (#     31:15  Unique         3.61, 3.74 A)
 &rst
  ixpk= 31, nxpk= 15, iat= 352,1189, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:32      79 PHE  HN          5.50    (#     32:15  Single Ambig)
 &rst
  ixpk= 32, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 338, 339, 340, 342, 343, 344,1357,1358,1359,1361,
      1362,1363,1357,1358,1359,1361,1362,1363, 561, 562,
       563, 565, 566, 567,
 &end
#
#   78 VAL  MGY          79 PHE  HN          4.50    (#     33:15  Unique         2.53, 4.12 A)
 &rst
  ixpk= 33, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  15-2:35      69 TRP  HE1         5.50    (#     35:15  Single Ambig)
 &rst
  ixpk= 35, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1054,1035,
 &end
#
#   69 TRP  HB-          69 TRP  HE1         5.50    (#     36:15  Unique         5.00, 5.14 A)
 &rst
  ixpk= 36, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1043,1044,
 &end
#
#   15 LYS  QD           69 TRP  HE1         5.50    (#     37:15  Unique         5.27, 5.76 A)
 &rst
  ixpk= 37, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 230, 231,
 &end
#
#   70 THR  MG2          69 TRP  HE1         5.50    (#     38:15  Unique         4.52, 6.00 A)
 &rst
  ixpk= 38, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1069,1070,1071,
 &end
#
#   15 LYS  HG+          69 TRP  HE1         5.50    (#     39:15  Unique         4.26, 4.87 A)
 &rst
  ixpk= 39, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 227, 228,
 &end
#
#   69 TRP  HZ2          69 TRP  HE1         3.50    (#     40:15  Unique         2.91, 2.92 A)
 &rst
  ixpk= 40, nxpk= 15, iat=1052,1049, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 TRP  HD1          69 TRP  HE1         2.50    (#     41:15  Unique         2.52, 2.52 A)
 &rst
  ixpk= 41, nxpk= 15, iat=1047,1049, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:43      69 TRP  HE1         7.00    (#     43:15  Single Ambig)
 &rst
  ixpk= 43, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1065, 995,
 &end
#
#   15 LYS  HE-          69 TRP  HE1         5.50    (#     44:15  Unique         2.89, 3.43 A)
 &rst
  ixpk= 44, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 233, 234,
 &end
#
#   15 LYS  HE+          69 TRP  HE1         4.50    (#     45:15  Unique         2.89, 3.43 A)
 &rst
  ixpk= 45, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 233, 234,
 &end
#
#    0 AMB  15-2:46      69 TRP  HE1         5.50    (#     46:15  Single Ambig)
 &rst
  ixpk= 46, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 224, 225, 154,
 &end
#
#   11 LEU  MDX          69 TRP  HE1         5.50    (#     47:15  Unique         3.97, 5.87 A)
 &rst
  ixpk= 47, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   11 LEU  MDY          69 TRP  HE1         5.50    (#     48:15  Unique         3.97, 5.87 A)
 &rst
  ixpk= 48, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   34 CYS  HN           33 TYR  HN          4.50    (#     50:15  Unique         2.60, 2.73 A)
 &rst
  ixpk= 50, nxpk= 15, iat= 506, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLY  HN           33 TYR  HN          5.50    (#     51:15  Unique         2.63, 2.80 A)
 &rst
  ixpk= 51, nxpk= 15, iat= 478, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 ASN  HN           33 TYR  HN          5.50    (#     52:15  Unique         4.08, 4.25 A)
 &rst
  ixpk= 52, nxpk= 15, iat= 517, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 TYR  HD           33 TYR  HN          4.50    (#     53:15  Unique         2.20, 3.60 A)
 &rst
  ixpk= 53, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 493, 502,
 &end
#
#   33 TYR  HE           33 TYR  HN          5.50    (#     54:15  Unique         4.45, 5.23 A)
 &rst
  ixpk= 54, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 495, 500,
 &end
#
#   33 TYR  HA           33 TYR  HN          4.50    (#     56:15  Unique         2.84, 2.86 A)
 &rst
  ixpk= 56, nxpk= 15, iat= 487, 485, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 GLY  QA           33 TYR  HN          4.50    (#     57:15  Unique         2.83, 3.25 A)
 &rst
  ixpk= 57, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 480, 481,
 &end
#
#    0 AMB  15-2:58      33 TYR  HN          5.50    (#     58:15  Single Ambig)
 &rst
  ixpk= 58, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1146,1147, 510, 511,
 &end
#
#   33 TYR  HB+          33 TYR  HN          4.50    (#     59:15  Unique         2.35, 3.01 A)
 &rst
  ixpk= 59, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 489, 490,
 &end
#
#   33 TYR  HB-          33 TYR  HN          4.50    (#     60:15  Unique         2.35, 3.01 A)
 &rst
  ixpk= 60, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 489, 490,
 &end
#
#   35 ASN  HN           34 CYS  HN          5.50    (#     61:15  Unique         2.50, 2.60 A)
 &rst
  ixpk= 61, nxpk= 15, iat= 517, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:62      34 CYS  HN          5.50    (#     62:15  Single Ambig)
 &rst
  ixpk= 62, nxpk= 15, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 487, 470,
 &end
#
#    0 AMB  15-2:63      34 CYS  HN          4.50    (#     63:15  Single Ambig)
 &rst
  ixpk= 63, nxpk= 15, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1146,1147, 508,
 &end
#
#    0 AMB  15-2:64      34 CYS  HN          4.50    (#     64:15  Single Ambig)
 &rst
  ixpk= 64, nxpk= 15, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 510, 511,1146,1147,
 &end
#
#   33 TYR  HB-          34 CYS  HN          4.50    (#     65:15  Unique         2.72, 3.33 A)
 &rst
  ixpk= 65, nxpk= 15, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 489, 490,
 &end
#
#   33 TYR  HN           34 CYS  HN          4.50    (#     66:15  Unique         2.60, 2.73 A)
 &rst
  ixpk= 66, nxpk= 15, iat= 485, 506, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 TYR  HB+          34 CYS  HN          5.50    (#     68:15  Unique         2.72, 3.33 A)
 &rst
  ixpk= 68, nxpk= 15, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 489, 490,
 &end
#
#   81 GLY  HN           24 VAL  HN          5.50    (#     69:15  Unique         5.40, 5.49 A)
 &rst
  ixpk= 69, nxpk= 15, iat=1228, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:70      24 VAL  HN          5.50    (#     70:15  Single Ambig)
 &rst
  ixpk= 70, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 744,1209,
 &end
#
#   23 VAL  HA           24 VAL  HN          3.50    (#     71:15  Unique         2.25, 2.27 A)
 &rst
  ixpk= 71, nxpk= 15, iat= 334, 348, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79 PHE  HB+          24 VAL  HN          5.50    (#     73:15  Unique         3.00, 3.62 A)
 &rst
  ixpk= 73, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#   23 VAL  HB           24 VAL  HN          5.50    (#     74:15  Unique         3.97, 4.07 A)
 &rst
  ixpk= 74, nxpk= 15, iat= 336, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ALA  MB           24 VAL  HN          5.50    (#     75:15  Unique         5.23, 6.16 A)
 &rst
  ixpk= 75, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 312, 313, 314,
 &end
#
#    0 AMB  15-2:76      24 VAL  HN          4.50    (#     76:15  Single Ambig)
 &rst
  ixpk= 76, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 338, 339, 340, 342, 343, 344,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   23 VAL  MGY          24 VAL  HN          4.50    (#     77:15  Unique         2.78, 4.22 A)
 &rst
  ixpk= 77, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   24 VAL  MGX          24 VAL  HN          5.50    (#     78:15  Unique         3.01, 4.32 A)
 &rst
  ixpk= 78, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   79 PHE  HN           24 VAL  HN          5.50    (#     79:15  Unique         2.80, 2.86 A)
 &rst
  ixpk= 79, nxpk= 15, iat=1189, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 VAL  HN           24 VAL  HN          5.50    (#     80:15  Unique         4.21, 4.23 A)
 &rst
  ixpk= 80, nxpk= 15, iat= 332, 348, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:81      24 VAL  HN          5.50    (#     81:15  Single Ambig)
 &rst
  ixpk= 81, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1191, 725,
 &end
#
#   79 PHE  HB-          24 VAL  HN          5.50    (#     82:15  Unique         3.00, 3.62 A)
 &rst
  ixpk= 82, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#   24 VAL  HB           24 VAL  HN          4.50    (#     83:15  Unique         2.82, 2.87 A)
 &rst
  ixpk= 83, nxpk= 15, iat= 352, 348, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 ILE  HG1-         24 VAL  HN          5.50    (#     84:15  Unique         3.96, 4.34 A)
 &rst
  ixpk= 84, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1219,1220,
 &end
#
#   80 ILE  HG1+         24 VAL  HN          5.50    (#     85:15  Unique         3.96, 4.34 A)
 &rst
  ixpk= 85, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1219,1220,
 &end
#
#   26 PHE  HE           26 PHE  HN          5.50    (#     98:15  Unique         4.44, 5.39 A)
 &rst
  ixpk= 98, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 390, 394,
 &end
#
#   79 PHE  HN           26 PHE  HN          5.50    (#     99:15  Unique         4.44, 4.70 A)
 &rst
  ixpk= 99, nxpk= 15, iat=1189, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 ASN  HN           26 PHE  HN          4.50    (#    100:15  Unique         2.92, 3.10 A)
 &rst
  ixpk= 100, nxpk= 15, iat=1159, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 PHE  HD           26 PHE  HN          4.50    (#    101:15  Unique         2.32, 3.65 A)
 &rst
  ixpk= 101, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 388, 396,
 &end
#
#   26 PHE  HA           26 PHE  HN          4.50    (#    102:15  Unique         2.94, 2.96 A)
 &rst
  ixpk= 102, nxpk= 15, iat= 382, 380, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 VAL  HA           26 PHE  HN          3.50    (#    104:15  Unique         2.18, 2.22 A)
 &rst
  ixpk= 104, nxpk= 15, iat= 366, 380, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   51 VAL  HB           26 PHE  HN          5.50    (#    105:15  Unique         4.36, 4.89 A)
 &rst
  ixpk= 105, nxpk= 15, iat= 786, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:106     26 PHE  HN          4.50    (#    106:15  Single Ambig)
 &rst
  ixpk= 106, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 354, 355, 356, 358, 359, 360,1179,1180,1181,1183,
      1184,1185, 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  15-2:107     26 PHE  HN          4.50    (#    107:15  Single Ambig)
 &rst
  ixpk= 107, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   25 VAL  MGY          26 PHE  HN          4.50    (#    108:15  Unique         3.14, 4.82 A)
 &rst
  ixpk= 108, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   77 ASN  HB+          26 PHE  HN          5.50    (#    109:15  Unique         3.31, 4.29 A)
 &rst
  ixpk= 109, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1163,1164,
 &end
#
#   26 PHE  HB-          26 PHE  HN          4.50    (#    110:15  Unique         2.38, 3.04 A)
 &rst
  ixpk= 110, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 384, 385,
 &end
#
#   25 VAL  HB           26 PHE  HN          5.50    (#    111:15  Unique         4.19, 4.44 A)
 &rst
  ixpk= 111, nxpk= 15, iat= 368, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:112     26 PHE  HN          5.50    (#    112:15  Single Ambig)
 &rst
  ixpk= 112, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 354, 355, 356, 358, 359, 360,1002,1003,1004,1006,
      1007,1008,
 &end
#
#   79 PHE  HN           78 VAL  HN          5.50    (#    113:15  Unique         4.43, 4.49 A)
 &rst
  ixpk= 113, nxpk= 15, iat=1189,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 ASN  HN           78 VAL  HN          5.50    (#    114:15  Unique         3.97, 4.12 A)
 &rst
  ixpk= 114, nxpk= 15, iat=1159,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 VAL  MGX          78 VAL  HN          3.50    (#    115:15  Unique         2.24, 4.01 A)
 &rst
  ixpk= 115, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  15-2:116     78 VAL  HN          4.50    (#    116:15  Single Ambig)
 &rst
  ixpk= 116, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363, 561, 562, 563, 565, 566, 567,
 &end
#
#   86 GLY  HN           78 VAL  HN          4.50    (#    117:15  Unique         2.99, 3.07 A)
 &rst
  ixpk= 117, nxpk= 15, iat=1300,1173, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 ASN  HA           78 VAL  HN          3.50    (#    118:15  Unique         2.17, 2.22 A)
 &rst
  ixpk= 118, nxpk= 15, iat=1161,1173, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:119     78 VAL  HN          5.50    (#    119:15  Single Ambig)
 &rst
  ixpk= 119, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1302,1303, 366,
 &end
#
#   86 GLY  HA-          78 VAL  HN          5.50    (#    120:15  Unique         4.50, 4.74 A)
 &rst
  ixpk= 120, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1302,1303,
 &end
#
#   77 ASN  HB+          78 VAL  HN          5.50    (#    121:15  Unique         4.15, 4.40 A)
 &rst
  ixpk= 121, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1163,1164,
 &end
#
#   77 ASN  HB-          78 VAL  HN          5.50    (#    122:15  Unique         4.15, 4.40 A)
 &rst
  ixpk= 122, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1163,1164,
 &end
#
#   78 VAL  HB           78 VAL  HN          3.50    (#    123:15  Unique         2.59, 2.69 A)
 &rst
  ixpk= 123, nxpk= 15, iat=1177,1173, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:124     78 VAL  HN          5.50    (#    124:15  Single Ambig)
 &rst
  ixpk= 124, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1271,1272,1285,1152,1153,
 &end
#
#   78 VAL  MGY          78 VAL  HN          4.50    (#    125:15  Unique         2.24, 4.01 A)
 &rst
  ixpk= 125, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  15-2:126     52 GLU  HN          5.50    (#    126:15  Single Ambig)
 &rst
  ixpk= 126, nxpk= 15, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 439, 440, 441, 751, 752,
 &end
#
#    0 AMB  15-2:127     52 GLU  HN          5.50    (#    127:15  Single Ambig)
 &rst
  ixpk= 127, nxpk= 15, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 772, 773, 774, 776, 777, 778, 822, 823, 824, 826,
       827, 828,
 &end
#
#   53 LEU  HN           52 GLU  HN          5.50    (#    128:15  Unique         3.84, 4.06 A)
 &rst
  ixpk= 128, nxpk= 15, iat= 813, 798, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 GLU  HA           52 GLU  HN          4.50    (#    129:15  Unique         2.86, 2.93 A)
 &rst
  ixpk= 129, nxpk= 15, iat= 800, 798, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 VAL  HA           52 GLU  HN          2.50    (#    130:15  Unique         2.19, 2.25 A)
 &rst
  ixpk= 130, nxpk= 15, iat= 784, 798, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:131     52 GLU  HN          3.50    (#    131:15  Single Ambig)
 &rst
  ixpk= 131, nxpk= 15, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 802, 803, 805, 806,
 &end
#
#   52 GLU  HB-          52 GLU  HN          4.50    (#    132:15  Unique         2.27, 3.04 A)
 &rst
  ixpk= 132, nxpk= 15, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 802, 803,
 &end
#
#    0 AMB  15-2:133     52 GLU  HN          3.50    (#    133:15  Single Ambig)
 &rst
  ixpk= 133, nxpk= 15, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 788, 789, 790, 792, 793, 794, 772, 773, 774, 776,
       777, 778, 822, 823, 824, 826, 827, 828,
 &end
#
#   51 VAL  MGX          52 GLU  HN          4.50    (#    134:15  Unique         2.88, 4.91 A)
 &rst
  ixpk= 134, nxpk= 15, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#   27 SER  HN           53 LEU  HN          5.50    (#    135:15  Unique         2.84, 2.99 A)
 &rst
  ixpk= 135, nxpk= 15, iat= 400, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:136     53 LEU  HN          5.50    (#    136:15  Single Ambig)
 &rst
  ixpk= 136, nxpk= 15, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 798, 782,
 &end
#
#   52 GLU  HA           53 LEU  HN          4.50    (#    137:15  Unique         2.11, 2.20 A)
 &rst
  ixpk= 137, nxpk= 15, iat= 800, 813, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  HA           53 LEU  HN          4.50    (#    138:15  Unique         2.73, 2.77 A)
 &rst
  ixpk= 138, nxpk= 15, iat= 815, 813, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  HG           53 LEU  HN          4.50    (#    139:15  Unique         2.20, 3.09 A)
 &rst
  ixpk= 139, nxpk= 15, iat= 820, 813, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:140     53 LEU  HN          5.50    (#    140:15  Single Ambig)
 &rst
  ixpk= 140, nxpk= 15, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 802, 803, 805, 806, 851, 852,
 &end
#
#   29 THR  MG2          53 LEU  HN          5.50    (#    141:15  Unique         5.10, 6.42 A)
 &rst
  ixpk= 141, nxpk= 15, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 439, 440, 441,
 &end
#
#   53 LEU  MDX          53 LEU  HN          4.50    (#    142:15  Unique         2.19, 4.07 A)
 &rst
  ixpk= 142, nxpk= 15, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   53 LEU  MDY          53 LEU  HN          4.50    (#    143:15  Unique         2.19, 4.07 A)
 &rst
  ixpk= 143, nxpk= 15, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   54 ASP  HN           53 LEU  HN          5.50    (#    144:15  Unique         2.78, 2.98 A)
 &rst
  ixpk= 144, nxpk= 15, iat= 832, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 LYS  HA           53 LEU  HN          5.50    (#    145:15  Unique         2.88, 3.13 A)
 &rst
  ixpk= 145, nxpk= 15, iat= 413, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:146     53 LEU  HN          4.50    (#    146:15  Single Ambig)
 &rst
  ixpk= 146, nxpk= 15, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 817, 818, 421, 422,
 &end
#
#    0 AMB  15-2:147     25 VAL  HN          5.50    (#    147:15  Single Ambig)
 &rst
  ixpk= 147, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 382, 334,
 &end
#
#   49 LYS  HB-          25 VAL  HN          5.50    (#    148:15  Unique         3.45, 4.89 A)
 &rst
  ixpk= 148, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 748, 749,
 &end
#
#   51 VAL  HN           25 VAL  HN          5.50    (#    149:15  Unique         3.75, 3.89 A)
 &rst
  ixpk= 149, nxpk= 15, iat= 782, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 VAL  HA           25 VAL  HN          4.50    (#    151:15  Unique         2.98, 2.98 A)
 &rst
  ixpk= 151, nxpk= 15, iat= 366, 364, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 VAL  HB           25 VAL  HN          5.50    (#    152:15  Unique         4.05, 4.09 A)
 &rst
  ixpk= 152, nxpk= 15, iat= 352, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:153     25 VAL  HN          5.50    (#    153:15  Single Ambig)
 &rst
  ixpk= 153, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 751, 752, 312, 313, 314,
 &end
#
#    0 AMB  15-2:154     25 VAL  HN          4.50    (#    154:15  Single Ambig)
 &rst
  ixpk= 154, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 354, 355, 356, 358, 359, 360, 788, 789, 790, 792,
       793, 794, 772, 773, 774, 776, 777, 778,
 &end
#
#   51 VAL  MGX          25 VAL  HN          5.50    (#    155:15  Unique         3.40, 6.16 A)
 &rst
  ixpk= 155, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#   49 LYS  HN           25 VAL  HN          5.50    (#    156:15  Unique         3.87, 3.94 A)
 &rst
  ixpk= 156, nxpk= 15, iat= 744, 364, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:157     25 VAL  HN          5.50    (#    157:15  Single Ambig)
 &rst
  ixpk= 157, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 731, 740, 733, 738,
 &end
#
#   25 VAL  HB           25 VAL  HN          4.50    (#    158:15  Unique         2.51, 2.67 A)
 &rst
  ixpk= 158, nxpk= 15, iat= 368, 364, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:159     25 VAL  HN          5.50    (#    159:15  Single Ambig)
 &rst
  ixpk= 159, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 748, 749, 786,
 &end
#
#   50 VAL  MGX          25 VAL  HN          4.50    (#    160:15  Unique         3.78, 5.20 A)
 &rst
  ixpk= 160, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 772, 773, 774, 776, 777, 778,
 &end
#
#   25 VAL  MGX          25 VAL  HN          4.50    (#    161:15  Unique         2.57, 4.08 A)
 &rst
  ixpk= 161, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   25 VAL  MGY          25 VAL  HN          4.50    (#    162:15  Unique         2.57, 4.08 A)
 &rst
  ixpk= 162, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   24 VAL  MGX          25 VAL  HN          3.50    (#    163:15  Unique         2.81, 4.22 A)
 &rst
  ixpk= 163, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   78 VAL  HB           85 ILE  HN          5.50    (#    164:15  Unique         3.93, 4.14 A)
 &rst
  ixpk= 164, nxpk= 15, iat=1177,1281, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 VAL  MGX          85 ILE  HN          5.50    (#    165:15  Unique         4.58, 6.06 A)
 &rst
  ixpk= 165, nxpk= 15, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  15-2:166     85 ILE  HN          4.50    (#    166:15  Single Ambig)
 &rst
  ixpk= 166, nxpk= 15, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1209,1264,
 &end
#
#   86 GLY  HN           85 ILE  HN          4.50    (#    167:15  Unique         2.08, 2.19 A)
 &rst
  ixpk= 167, nxpk= 15, iat=1300,1281, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 PHE  HA           85 ILE  HN          4.50    (#    168:15  Unique         2.60, 2.73 A)
 &rst
  ixpk= 168, nxpk= 15, iat=1191,1281, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   85 ILE  HA           85 ILE  HN          4.50    (#    169:15  Unique         2.99, 2.99 A)
 &rst
  ixpk= 169, nxpk= 15, iat=1283,1281, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84 GLN  HA           85 ILE  HN          4.50    (#    170:15  Unique         2.22, 2.25 A)
 &rst
  ixpk= 170, nxpk= 15, iat=1266,1281, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:171     85 ILE  HN          3.50    (#    171:15  Single Ambig)
 &rst
  ixpk= 171, nxpk= 15, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1271,1272,1285,1291,1292,
 &end
#
#   84 GLN  HG+          85 ILE  HN          5.50    (#    172:15  Unique         2.19, 3.76 A)
 &rst
  ixpk= 172, nxpk= 15, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1271,1272,
 &end
#
#   84 GLN  HB-          85 ILE  HN          5.50    (#    173:15  Unique         3.11, 4.15 A)
 &rst
  ixpk= 173, nxpk= 15, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1268,1269,
 &end
#
#   85 ILE  HG1+         85 ILE  HN          5.50    (#    174:15  Unique         2.66, 3.45 A)
 &rst
  ixpk= 174, nxpk= 15, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1291,1292,
 &end
#
#    0 AMB  15-2:175     85 ILE  HN          5.50    (#    175:15  Single Ambig)
 &rst
  ixpk= 175, nxpk= 15, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,
 &end
#
#    0 AMB  15-2:176     85 ILE  HN          4.50    (#    176:15  Single Ambig)
 &rst
  ixpk= 176, nxpk= 15, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1294,1295,1296,1287,1288,1289,
 &end
#
#   66 LEU  HN            0 AMB  15-1:178    3.50    (#    178:15  Single Ambig)
 &rst
  ixpk= 178, nxpk= 15, iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 983,1012,
 &end
#
#    0 AMB  15-2:179     65 ALA  HN          5.50    (#    179:15  Single Ambig)
 &rst
  ixpk= 179, nxpk= 15, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 955, 936,
 &end
#
#   68 HIS  HN           67 ALA  HN          4.50    (#    180:15  Unique         2.75, 2.82 A)
 &rst
  ixpk= 180, nxpk= 15, iat=1022,1012, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 SER  HN           65 ALA  HN          3.50    (#    181:15  Unique         2.75, 2.80 A)
 &rst
  ixpk= 181, nxpk= 15, iat= 972, 983, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:182     67 ALA  HN          5.50    (#    182:15  Single Ambig)
 &rst
  ixpk= 182, nxpk= 15, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1077,1084,1168,1169,
 &end
#
#   63 GLN  HE2+         67 ALA  HN          5.50    (#    183:15  Unique         2.86, 5.07 A)
 &rst
  ixpk= 183, nxpk= 15, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 967, 968,
 &end
#
#   64 SER  HA            0 AMB  15-1:184    3.50    (#    184:15  Single Ambig)
 &rst
  ixpk= 184, nxpk= 15, iat= 974,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1012, 983,
 &end
#
#    0 AMB  15-2:185      0 AMB  15-1:185    3.50    (#    185:15  Double Ambig)
 &rst
  ixpk= 185, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 985,1110,1111,
 igr2= 983,1012,
 &end
#
#    0 AMB  15-2:186     65 ALA  HN          3.50    (#    186:15  Single Ambig)
 &rst
  ixpk= 186, nxpk= 15, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 976, 977, 938,
 &end
#
#   67 ALA  HA           67 ALA  HN          3.50    (#    187:15  Unique         2.79, 2.83 A)
 &rst
  ixpk= 187, nxpk= 15, iat=1014,1012, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:188      0 AMB  15-1:188    4.50    (#    188:15  Double Ambig)
 &rst
  ixpk= 188, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1026,1027,1026,1027,1026,1027,1043,1044,
 igr2=1012, 983,
 &end
#
#    0 AMB  15-2:189      0 AMB  15-1:189    4.50    (#    189:15  Double Ambig)
 &rst
  ixpk= 189, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 923, 924, 959, 960, 959, 960,
 igr2= 983,1012,
 &end
#
#   66 LEU  HB+          67 ALA  HN          4.50    (#    190:15  Unique         2.60, 3.06 A)
 &rst
  ixpk= 190, nxpk= 15, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 997, 998,
 &end
#
#    0 AMB  15-2:191      0 AMB  15-1:191    2.50    (#    191:15  Double Ambig)
 &rst
  ixpk= 191, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1=1016,1017,1018, 987, 988, 989,
 igr2=1012, 983,
 &end
#
#   66 LEU  HB-          67 ALA  HN          4.50    (#    192:15  Unique         2.60, 3.06 A)
 &rst
  ixpk= 192, nxpk= 15, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 997, 998,
 &end
#
#   53 LEU  MDX           0 AMB  15-1:193    5.50    (#    193:15  Single Ambig)
 &rst
  ixpk= 193, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 822, 823, 824, 826, 827, 828,
 igr2= 983,1012,
 &end
#
#    0 AMB  15-2:194      0 AMB  15-1:194    5.50    (#    194:15  Double Ambig)
 &rst
  ixpk= 194, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 945, 946, 947, 949, 950, 951, 822, 823, 824, 826,
       827, 828,
 igr2= 983,1012,
 &end
#
#   66 LEU  MDX          67 ALA  HN          4.50    (#    195:15  Unique         3.19, 5.60 A)
 &rst
  ixpk= 195, nxpk= 15, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   66 LEU  MDY          67 ALA  HN          4.50    (#    196:15  Unique         3.19, 5.60 A)
 &rst
  ixpk= 196, nxpk= 15, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  15-2:198      0 AMB  15-1:198    5.50    (#    198:15  Double Ambig)
 &rst
  ixpk= 198, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 962, 963, 926, 927,
 igr2=1012, 983,
 &end
#
#    0 AMB  15-2:199     65 ALA  HN          5.50    (#    199:15  Single Ambig)
 &rst
  ixpk= 199, nxpk= 15, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 151, 152, 100, 101,
 &end
#
#    7 LEU  MDX          65 ALA  HN          4.50    (#    200:15  Unique         3.02, 5.23 A)
 &rst
  ixpk= 200, nxpk= 15, iat=  -1, 983, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 105, 106, 107, 109, 110, 111,
 &end
#
#   49 LYS  HE-          50 VAL  HN          5.50    (#    201:15  Unique         4.43, 5.16 A)
 &rst
  ixpk= 201, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 757, 758,
 &end
#
#   51 VAL  MGX          50 VAL  HN          5.50    (#    202:15  Unique         3.95, 6.02 A)
 &rst
  ixpk= 202, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  15-2:203     50 VAL  HN          5.50    (#    203:15  Single Ambig)
 &rst
  ixpk= 203, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 731, 740, 733, 738,
 &end
#
#   50 VAL  HA           50 VAL  HN          4.50    (#    204:15  Unique         2.92, 2.96 A)
 &rst
  ixpk= 204, nxpk= 15, iat= 768, 766, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 LYS  HA           50 VAL  HN          2.50    (#    205:15  Unique         2.29, 2.35 A)
 &rst
  ixpk= 205, nxpk= 15, iat= 746, 766, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   50 VAL  HB           50 VAL  HN          3.50    (#    206:15  Unique         2.67, 2.97 A)
 &rst
  ixpk= 206, nxpk= 15, iat= 770, 766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LYS  HB+          50 VAL  HN          4.50    (#    207:15  Unique         3.61, 3.96 A)
 &rst
  ixpk= 207, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 748, 749,
 &end
#
#   49 LYS  HB-          50 VAL  HN          4.50    (#    208:15  Unique         3.61, 3.96 A)
 &rst
  ixpk= 208, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 748, 749,
 &end
#
#   49 LYS  QD           50 VAL  HN          5.50    (#    209:15  Unique         2.71, 4.65 A)
 &rst
  ixpk= 209, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 754, 755,
 &end
#
#   49 LYS  HG-          50 VAL  HN          4.50    (#    210:15  Unique         2.15, 2.72 A)
 &rst
  ixpk= 210, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 751, 752,
 &end
#
#   50 VAL  MGX          50 VAL  HN          3.50    (#    211:15  Unique         2.49, 4.13 A)
 &rst
  ixpk= 211, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 772, 773, 774, 776, 777, 778,
 &end
#
#   50 VAL  MGY          50 VAL  HN          4.50    (#    212:15  Unique         2.49, 4.13 A)
 &rst
  ixpk= 212, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 772, 773, 774, 776, 777, 778,
 &end
#
#   25 VAL  HN           50 VAL  HN          5.50    (#    213:15  Unique         4.45, 4.54 A)
 &rst
  ixpk= 213, nxpk= 15, iat= 364, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:214     50 VAL  HN          5.50    (#    214:15  Single Ambig)
 &rst
  ixpk= 214, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 782, 798,
 &end
#
#  112 LYS  HN          111 ALA  HN          4.50    (#    216:15  Unique         2.13, 2.95 A)
 &rst
  ixpk= 216, nxpk= 15, iat=1680,1670, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 THR  HN          111 ALA  HN          4.50    (#    219:15  Unique         2.32, 3.57 A)
 &rst
  ixpk= 219, nxpk= 15, iat=1656,1670, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 THR  HA          111 ALA  HN          3.50    (#    222:15  Unique         2.19, 2.77 A)
 &rst
  ixpk= 222, nxpk= 15, iat=1658,1670, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:223    111 ALA  HN          3.50    (#    223:15  Single Ambig)
 &rst
  ixpk= 223, nxpk= 15, iat=  -1,1670, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1660,1672,
 &end
#
#    0 AMB  15-2:224    111 ALA  HN          3.50    (#    224:15  Single Ambig)
 &rst
  ixpk= 224, nxpk= 15, iat=  -1,1670, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1674,1675,1676,1687,1688,
 &end
#
#  110 THR  MG2         111 ALA  HN          4.50    (#    225:15  Unique         3.32, 4.86 A)
 &rst
  ixpk= 225, nxpk= 15, iat=  -1,1670, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1662,1663,1664,
 &end
#
#    0 AMB  15-2:226    111 ALA  HN          5.50    (#    226:15  Single Ambig)
 &rst
  ixpk= 226, nxpk= 15, iat=  -1,1670, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1640,1641,1642,1650,1651,1652,
 &end
#
#   85 ILE  HN           84 GLN  HN          5.50    (#    228:15  Unique         4.61, 4.63 A)
 &rst
  ixpk= 228, nxpk= 15, iat=1281,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:229     84 GLN  HN          7.00    (#    229:15  Single Ambig)
 &rst
  ixpk= 229, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1276,1277,1300,
 &end
#
#   85 ILE  MD1          84 GLN  HN          5.50    (#    230:15  Unique         4.68, 5.80 A)
 &rst
  ixpk= 230, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1294,1295,1296,
 &end
#
#   83 LYS  HN           84 GLN  HN          5.50    (#    231:15  Unique         4.36, 4.42 A)
 &rst
  ixpk= 231, nxpk= 15, iat=1242,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 PHE  HD           84 GLN  HN          5.50    (#    232:15  Unique         3.32, 4.83 A)
 &rst
  ixpk= 232, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1197,1205,
 &end
#
#   79 PHE  HE           84 GLN  HN          5.50    (#    233:15  Unique         3.31, 4.82 A)
 &rst
  ixpk= 233, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1199,1203,
 &end
#
#   79 PHE  HA           84 GLN  HN          5.50    (#    234:15  Unique         4.53, 4.63 A)
 &rst
  ixpk= 234, nxpk= 15, iat=1191,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83 LYS  HA           84 GLN  HN          2.50    (#    235:15  Unique         2.21, 2.26 A)
 &rst
  ixpk= 235, nxpk= 15, iat=1244,1264, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   84 GLN  HA           84 GLN  HN          4.50    (#    236:15  Unique         2.85, 2.87 A)
 &rst
  ixpk= 236, nxpk= 15, iat=1266,1264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83 LYS  QB           84 GLN  HN          4.50    (#    237:15  Unique         2.61, 3.96 A)
 &rst
  ixpk= 237, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1246,1247,
 &end
#
#   84 GLN  HB+          84 GLN  HN          3.50    (#    238:15  Unique         2.19, 2.51 A)
 &rst
  ixpk= 238, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1268,1269,
 &end
#
#   83 LYS  QG           84 GLN  HN          4.50    (#    239:15  Unique         2.58, 3.37 A)
 &rst
  ixpk= 239, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1249,1250,
 &end
#
#   84 GLN  HB-          84 GLN  HN          3.50    (#    240:15  Unique         2.19, 2.51 A)
 &rst
  ixpk= 240, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1268,1269,
 &end
#
#   70 THR  MG2          84 GLN  HN          5.50    (#    241:15  Unique         4.69, 6.28 A)
 &rst
  ixpk= 241, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1069,1070,1071,
 &end
#
#   42 THR  HN           43 GLN  HN          3.50    (#    243:15  Unique         2.71, 2.80 A)
 &rst
  ixpk= 243, nxpk= 15, iat= 648, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 LEU  HN           43 GLN  HN          5.50    (#    244:15  Unique         4.06, 4.19 A)
 &rst
  ixpk= 244, nxpk= 15, iat= 629, 662, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 VAL  HN           43 GLN  HN          3.50    (#    245:15  Unique         2.76, 2.82 A)
 &rst
  ixpk= 245, nxpk= 15, iat= 679, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 TYR  HE           43 GLN  HN          5.50    (#    246:15  Unique         5.45, 7.25 A)
 &rst
  ixpk= 246, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 733, 738,
 &end
#
#   42 THR  HB           43 GLN  HN          3.50    (#    247:15  Unique         2.47, 2.69 A)
 &rst
  ixpk= 247, nxpk= 15, iat= 652, 662, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:248     43 GLN  HN          3.50    (#    248:15  Single Ambig)
 &rst
  ixpk= 248, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 664, 612,
 &end
#
#   43 GLN  QB           43 GLN  HN          2.50    (#    249:15  Unique         2.31, 2.97 A)
 &rst
  ixpk= 249, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 666, 667,
 &end
#
#   39 GLN  QB           43 GLN  HN          5.50    (#    250:15  Unique         4.69, 5.27 A)
 &rst
  ixpk= 250, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 597, 598,
 &end
#
#    0 AMB  15-2:251     43 GLN  HN          5.50    (#    251:15  Single Ambig)
 &rst
  ixpk= 251, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 614, 615, 636,
 &end
#
#    0 AMB  15-2:252     43 GLN  HN          4.50    (#    252:15  Single Ambig)
 &rst
  ixpk= 252, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 654, 655, 656, 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  15-2:253     43 GLN  HN          4.50    (#    253:15  Single Ambig)
 &rst
  ixpk= 253, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 685, 686, 687, 689, 690, 691, 685, 686, 687, 689,
       690, 691, 633, 634,
 &end
#
#   40 LEU  MDX          43 GLN  HN          5.50    (#    254:15  Unique         5.25, 7.06 A)
 &rst
  ixpk= 254, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   41 LEU  HA           43 GLN  HN          5.50    (#    256:15  Unique         4.13, 4.37 A)
 &rst
  ixpk= 256, nxpk= 15, iat= 631, 662, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 GLN  HG-          43 GLN  HN          4.50    (#    257:15  Unique         2.52, 3.21 A)
 &rst
  ixpk= 257, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 669, 670,
 &end
#
#   61 GLN  HE2+         61 GLN  HN          5.50    (#    263:15  Unique         3.97, 5.04 A)
 &rst
  ixpk= 263, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 931, 932,
 &end
#
#   60 SER  HN           61 GLN  HN          4.50    (#    264:15  Unique         2.78, 2.93 A)
 &rst
  ixpk= 264, nxpk= 15, iat= 908, 919, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 LEU  HN           61 GLN  HN          3.50    (#    265:15  Unique         2.39, 2.45 A)
 &rst
  ixpk= 265, nxpk= 15, iat= 936, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:266     61 GLN  HN          5.50    (#    266:15  Single Ambig)
 &rst
  ixpk= 266, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 901, 972,
 &end
#
#   60 SER  QB           61 GLN  HN          4.50    (#    268:15  Unique         2.48, 3.29 A)
 &rst
  ixpk= 268, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 912, 913,
 &end
#
#   61 GLN  HA           61 GLN  HN          3.50    (#    269:15  Unique         2.88, 2.93 A)
 &rst
  ixpk= 269, nxpk= 15, iat= 921, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:270     61 GLN  HN          3.50    (#    270:15  Single Ambig)
 &rst
  ixpk= 270, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 910, 976, 977,
 &end
#
#   58 ASP  HB-          61 GLN  HN          5.50    (#    271:15  Unique         3.63, 5.14 A)
 &rst
  ixpk= 271, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 893, 894,
 &end
#
#   61 GLN  HG-          61 GLN  HN          4.50    (#    272:15  Unique         2.08, 2.94 A)
 &rst
  ixpk= 272, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 926, 927,
 &end
#
#   61 GLN  HG+          61 GLN  HN          4.50    (#    273:15  Unique         2.08, 2.94 A)
 &rst
  ixpk= 273, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 926, 927,
 &end
#
#   61 GLN  HB+          61 GLN  HN          3.50    (#    274:15  Unique         2.02, 3.09 A)
 &rst
  ixpk= 274, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 923, 924,
 &end
#
#   62 LEU  HB+          61 GLN  HN          5.50    (#    275:15  Unique         4.28, 4.83 A)
 &rst
  ixpk= 275, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 940, 941,
 &end
#
#   62 LEU  MDX          61 GLN  HN          5.50    (#    276:15  Unique         4.06, 6.96 A)
 &rst
  ixpk= 276, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 945, 946, 947, 949, 950, 951,
 &end
#
#   10 ALA  MB           61 GLN  HN          5.50    (#    277:15  Unique         5.28, 5.91 A)
 &rst
  ixpk= 277, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 141, 142, 143,
 &end
#
#   62 LEU  MDY          61 GLN  HN          5.50    (#    278:15  Unique         4.06, 6.96 A)
 &rst
  ixpk= 278, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 945, 946, 947, 949, 950, 951,
 &end
#
#   58 ASP  HA           61 GLN  HN          5.50    (#    279:15  Unique         3.43, 4.01 A)
 &rst
  ixpk= 279, nxpk= 15, iat= 891, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 LEU  HB-          61 GLN  HN          5.50    (#    280:15  Unique         4.28, 4.83 A)
 &rst
  ixpk= 280, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 940, 941,
 &end
#
#    0 AMB  15-2:281      4 LYS  HN          5.50    (#    281:15  Single Ambig)
 &rst
  ixpk= 281, nxpk= 15, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  52,  53, 100, 101,
 &end
#
#    5 GLN  HN            4 LYS  HN          5.50    (#    282:15  Unique         2.55, 2.83 A)
 &rst
  ixpk= 282, nxpk= 15, iat=  64,  42, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 SER  HA            4 LYS  HN          4.50    (#    284:15  Unique         2.23, 3.03 A)
 &rst
  ixpk= 284, nxpk= 15, iat=  33,  42, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 SER  HB-           4 LYS  HN          4.50    (#    285:15  Unique         2.62, 3.41 A)
 &rst
  ixpk= 285, nxpk= 15, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  35,  36,
 &end
#
#    4 LYS  HA            4 LYS  HN          4.50    (#    286:15  Unique         2.74, 2.83 A)
 &rst
  ixpk= 286, nxpk= 15, iat=  44,  42, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 LYS  HB+           4 LYS  HN          4.50    (#    287:15  Unique         2.34, 2.74 A)
 &rst
  ixpk= 287, nxpk= 15, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  46,  47,
 &end
#
#    4 LYS  HG+           4 LYS  HN          5.50    (#    288:15  Unique         2.12, 3.83 A)
 &rst
  ixpk= 288, nxpk= 15, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  49,  50,
 &end
#
#   25 VAL  HN           49 LYS  HN          5.50    (#    289:15  Unique         3.87, 3.94 A)
 &rst
  ixpk= 289, nxpk= 15, iat= 364, 744, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 TYR  HN           49 LYS  HN          5.50    (#    290:15  Unique         4.32, 4.41 A)
 &rst
  ixpk= 290, nxpk= 15, iat= 723, 744, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 TYR  HD           49 LYS  HN          5.50    (#    291:15  Unique         3.11, 4.48 A)
 &rst
  ixpk= 291, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 731, 740,
 &end
#
#   23 VAL  HB           49 LYS  HN          4.50    (#    292:15  Unique         3.54, 3.63 A)
 &rst
  ixpk= 292, nxpk= 15, iat= 336, 744, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 VAL  MGY          49 LYS  HN          4.50    (#    293:15  Unique         3.85, 5.48 A)
 &rst
  ixpk= 293, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   24 VAL  MGX          49 LYS  HN          5.50    (#    294:15  Unique         3.48, 4.92 A)
 &rst
  ixpk= 294, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   23 VAL  HN           49 LYS  HN          5.50    (#    295:15  Unique         3.69, 3.90 A)
 &rst
  ixpk= 295, nxpk= 15, iat= 332, 744, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 TYR  HA           49 LYS  HN          3.50    (#    296:15  Unique         2.21, 2.33 A)
 &rst
  ixpk= 296, nxpk= 15, iat= 725, 744, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LYS  HA           49 LYS  HN          4.50    (#    298:15  Unique         2.97, 2.99 A)
 &rst
  ixpk= 298, nxpk= 15, iat= 746, 744, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 TYR  HB+          49 LYS  HN          4.50    (#    299:15  Unique         2.33, 3.12 A)
 &rst
  ixpk= 299, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 727, 728,
 &end
#
#   48 TYR  HB-          49 LYS  HN          4.50    (#    300:15  Unique         2.33, 3.12 A)
 &rst
  ixpk= 300, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 727, 728,
 &end
#
#   49 LYS  HB+          49 LYS  HN          4.50    (#    301:15  Unique         2.43, 2.79 A)
 &rst
  ixpk= 301, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 748, 749,
 &end
#
#   49 LYS  HB-          49 LYS  HN          4.50    (#    302:15  Unique         2.43, 2.79 A)
 &rst
  ixpk= 302, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 748, 749,
 &end
#
#   49 LYS  QD           49 LYS  HN          5.50    (#    303:15  Unique         4.63, 5.08 A)
 &rst
  ixpk= 303, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 754, 755,
 &end
#
#    0 AMB  15-2:304     49 LYS  HN          4.50    (#    304:15  Single Ambig)
 &rst
  ixpk= 304, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 312, 313, 314, 751, 752,
 &end
#
#    0 AMB  15-2:305     49 LYS  HN          4.50    (#    305:15  Single Ambig)
 &rst
  ixpk= 305, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 354, 355, 356, 358, 359, 360, 338, 339, 340, 342,
       343, 344, 772, 773, 774, 776, 777, 778,
 &end
#
#   25 VAL  MGY          49 LYS  HN          5.50    (#    306:15  Unique         3.78, 6.31 A)
 &rst
  ixpk= 306, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   34 CYS  HB+          28 LYS  HN          5.50    (#    307:15  Unique         3.00, 3.57 A)
 &rst
  ixpk= 307, nxpk= 15, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 510, 511,
 &end
#
#   30 TYR  HE           28 LYS  HN          7.00    (#    308:15  Unique         5.72, 7.24 A)
 &rst
  ixpk= 308, nxpk= 15, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 457, 462,
 &end
#
#   27 SER  HA           28 LYS  HN          4.50    (#    309:15  Unique         2.58, 2.68 A)
 &rst
  ixpk= 309, nxpk= 15, iat= 402, 411, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 SER  HB+          28 LYS  HN          5.50    (#    311:15  Unique         1.96, 2.75 A)
 &rst
  ixpk= 311, nxpk= 15, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 404, 405,
 &end
#
#   28 LYS  HB-          28 LYS  HN          5.50    (#    312:15  Unique         2.60, 3.27 A)
 &rst
  ixpk= 312, nxpk= 15, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 415, 416,
 &end
#
#    0 AMB  15-2:313     28 LYS  HN          4.50    (#    313:15  Single Ambig)
 &rst
  ixpk= 313, nxpk= 15, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1135,1136,1137,1139,1140,1141, 822, 823, 824, 826,
       827, 828,
 &end
#
#   27 SER  HB-          28 LYS  HN          5.50    (#    314:15  Unique         1.96, 2.75 A)
 &rst
  ixpk= 314, nxpk= 15, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 404, 405,
 &end
#
#   31 CYS  HB+          28 LYS  HN          5.50    (#    315:15  Unique         2.52, 4.45 A)
 &rst
  ixpk= 315, nxpk= 15, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 473, 472,
 &end
#
#  102 PRO  HD+         100 LEU  HN          5.50    (#    316:15  Unique         3.55, 4.38 A)
 &rst
  ixpk= 316, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1546,1547,
 &end
#
#  102 PRO  HD-         100 LEU  HN          5.50    (#    317:15  Unique         3.55, 4.38 A)
 &rst
  ixpk= 317, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1546,1547,
 &end
#
#   98 ASN  HB+         100 LEU  HN          5.50    (#    318:15  Unique         5.24, 5.95 A)
 &rst
  ixpk= 318, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1482,1483,
 &end
#
#   94 LYS  HB+         100 LEU  HN          5.50    (#    319:15  Unique         2.76, 3.42 A)
 &rst
  ixpk= 319, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1402,1403,
 &end
#
#    0 AMB  15-2:320    100 LEU  HN          4.50    (#    320:15  Single Ambig)
 &rst
  ixpk= 320, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1514,1563,1564,
 &end
#
#  101 LEU  HN          100 LEU  HN          4.50    (#    321:15  Unique         2.56, 2.66 A)
 &rst
  ixpk= 321, nxpk= 15, iat=1526,1507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   99 GLU  HN          100 LEU  HN          3.50    (#    322:15  Unique         1.89, 1.99 A)
 &rst
  ixpk= 322, nxpk= 15, iat=1492,1507, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   95 HIS  HA          100 LEU  HN          4.50    (#    323:15  Unique         2.77, 2.93 A)
 &rst
  ixpk= 323, nxpk= 15, iat=1422,1507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   98 ASN  HA          100 LEU  HN          5.50    (#    324:15  Unique         3.33, 3.59 A)
 &rst
  ixpk= 324, nxpk= 15, iat=1480,1507, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100 LEU  HA          100 LEU  HN          5.50    (#    325:15  Unique         2.83, 2.87 A)
 &rst
  ixpk= 325, nxpk= 15, iat=1509,1507, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100 LEU  HB+         100 LEU  HN          4.50    (#    326:15  Unique         2.24, 2.53 A)
 &rst
  ixpk= 326, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1511,1512,
 &end
#
#    0 AMB  15-2:327    100 LEU  HN          4.50    (#    327:15  Single Ambig)
 &rst
  ixpk= 327, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1461,1462,1530,1531,1552,1553,1533,
 &end
#
#  100 LEU  HB-         100 LEU  HN          4.50    (#    328:15  Unique         2.24, 2.53 A)
 &rst
  ixpk= 328, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1511,1512,
 &end
#
#    0 AMB  15-2:329    100 LEU  HN          4.50    (#    329:15  Single Ambig)
 &rst
  ixpk= 329, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1516,1517,1518,1520,1521,1522,1516,1517,1518,1520,
      1521,1522,
 &end
#
#   98 ASN  HN          100 LEU  HN          5.50    (#    330:15  Unique         4.02, 4.11 A)
 &rst
  ixpk= 330, nxpk= 15, iat=1478,1507, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:331     21 ALA  HN          5.50    (#    331:15  Single Ambig)
 &rst
  ixpk= 331, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 744, 276,
 &end
#
#    0 AMB  15-2:332     21 ALA  HN          5.50    (#    332:15  Single Ambig)
 &rst
  ixpk= 332, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 278,1237,1238,
 &end
#
#   24 VAL  HB           21 ALA  HN          5.50    (#    333:15  Unique         5.20, 5.46 A)
 &rst
  ixpk= 333, nxpk= 15, iat= 352, 308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 VAL  MGX          21 ALA  HN          5.50    (#    334:15  Unique         2.96, 4.52 A)
 &rst
  ixpk= 334, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   20 SER  HN           21 ALA  HN          3.50    (#    335:15  Unique         2.64, 2.70 A)
 &rst
  ixpk= 335, nxpk= 15, iat= 297, 308, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 SER  HN           21 ALA  HN          5.50    (#    336:15  Unique         4.15, 4.40 A)
 &rst
  ixpk= 336, nxpk= 15, iat= 286, 308, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:338     21 ALA  HN          3.50    (#    338:15  Single Ambig)
 &rst
  ixpk= 338, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 310, 288,
 &end
#
#   20 SER  HA           21 ALA  HN          4.50    (#    339:15  Unique         3.42, 3.45 A)
 &rst
  ixpk= 339, nxpk= 15, iat= 299, 308, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 SER  HB-          21 ALA  HN          5.50    (#    340:15  Unique         3.32, 3.89 A)
 &rst
  ixpk= 340, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 301, 302,
 &end
#
#    0 AMB  15-2:341     21 ALA  HN          4.50    (#    341:15  Single Ambig)
 &rst
  ixpk= 341, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 319, 320, 319, 320,
 &end
#
#    0 AMB  15-2:342     21 ALA  HN          7.00    (#    342:15  Single Ambig)
 &rst
  ixpk= 342, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 322, 323, 336,
 &end
#
#   49 LYS  HB+          21 ALA  HN          5.50    (#    343:15  Unique         4.40, 4.83 A)
 &rst
  ixpk= 343, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 748, 749,
 &end
#
#   49 LYS  QD           21 ALA  HN          5.50    (#    344:15  Unique         4.03, 4.71 A)
 &rst
  ixpk= 344, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 754, 755,
 &end
#
#   21 ALA  MB           21 ALA  HN          3.50    (#    345:15  Unique         2.77, 3.40 A)
 &rst
  ixpk= 345, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 312, 313, 314,
 &end
#
#   24 VAL  MGY          21 ALA  HN          3.50    (#    346:15  Unique         2.96, 4.52 A)
 &rst
  ixpk= 346, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#  113 ASN  HA          115 ALA  HN          5.50    (#    347:15  Unique         3.12, 3.86 A)
 &rst
  ixpk= 347, nxpk= 15, iat=1704,1730, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  114 PRO  HA          115 ALA  HN          3.50    (#    349:15  Unique         2.49, 3.41 A)
 &rst
  ixpk= 349, nxpk= 15, iat=1726,1730, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  115 ALA  HA          115 ALA  HN          4.50    (#    350:15  Unique         2.23, 2.86 A)
 &rst
  ixpk= 350, nxpk= 15, iat=1732,1730, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  114 PRO  HD+         115 ALA  HN          5.50    (#    351:15  Unique         2.56, 3.69 A)
 &rst
  ixpk= 351, nxpk= 15, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1717,1718,
 &end
#
#  114 PRO  HB-         115 ALA  HN          4.50    (#    352:15  Unique         2.92, 4.01 A)
 &rst
  ixpk= 352, nxpk= 15, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1723,1724,
 &end
#
#  114 PRO  HB+         115 ALA  HN          4.50    (#    353:15  Unique         2.92, 4.01 A)
 &rst
  ixpk= 353, nxpk= 15, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1723,1724,
 &end
#
#  115 ALA  MB          115 ALA  HN          3.50    (#    354:15  Unique         2.48, 3.15 A)
 &rst
  ixpk= 354, nxpk= 15, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1734,1735,1736,
 &end
#
#  113 ASN  HB-         115 ALA  HN          5.50    (#    355:15  Unique         2.97, 4.50 A)
 &rst
  ixpk= 355, nxpk= 15, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1706,1707,
 &end
#
#   34 CYS  HB-          28 LYS  HN          5.50    (#    356:15  Unique         3.00, 3.57 A)
 &rst
  ixpk= 356, nxpk= 15, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 510, 511,
 &end
#
#   75 VAL  HB           28 LYS  HN          5.50    (#    357:15  Unique         3.28, 3.51 A)
 &rst
  ixpk= 357, nxpk= 15, iat=1133, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  102 PRO  HD+         100 LEU  HN          5.50    (#    358:15  Unique         3.55, 4.38 A)
 &rst
  ixpk= 358, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1546,1547,
 &end
#
#   95 HIS  HB+         100 LEU  HN          7.00    (#    359:15  Unique         4.66, 5.25 A)
 &rst
  ixpk= 359, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1424,1425,
 &end
#
#    8 ASP  HA            9 ALA  HN          4.50    (#    360:15  Unique         3.60, 3.61 A)
 &rst
  ixpk= 360, nxpk= 15, iat= 117, 127, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:361      0 AMB  15-1:361    3.50    (#    361:15  Double Ambig)
 &rst
  ixpk= 361, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 129,  83,
 igr2= 127, 137,
 &end
#
#    8 ASP  HB+           9 ALA  HN          3.50    (#    362:15  Unique         2.60, 3.36 A)
 &rst
  ixpk= 362, nxpk= 15, iat=  -1, 127, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 119, 120,
 &end
#
#   75 VAL  HB           28 LYS  HN          5.50    (#    363:15  Unique         3.28, 3.51 A)
 &rst
  ixpk= 363, nxpk= 15, iat=1133, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:364      0 AMB  15-1:364    2.50    (#    364:15  Double Ambig)
 &rst
  ixpk= 364, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 131, 132, 133, 418, 419,
 igr2= 127, 137, 411,
 &end
#
#    8 ASP  HN            9 ALA  HN          3.50    (#    365:15  Unique         2.72, 2.76 A)
 &rst
  ixpk= 365, nxpk= 15, iat= 115, 127, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:366      0 AMB  15-1:366    3.50    (#    366:15  Double Ambig)
 &rst
  ixpk= 366, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 473, 472, 119, 120,
 igr2= 411, 127,
 &end
#
#    5 GLN  QG            7 LEU  HN          7.00    (#    367:15  Unique         5.81, 6.57 A)
 &rst
  ixpk= 367, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=  71,  72,
 &end
#
#    4 LYS  HB+           7 LEU  HN          5.50    (#    368:15  Unique         5.00, 5.55 A)
 &rst
  ixpk= 368, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  46,  47,
 &end
#
#    8 ASP  HN            7 LEU  HN          3.50    (#    369:15  Unique         2.64, 2.76 A)
 &rst
  ixpk= 369, nxpk= 15, iat= 115,  96, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 GLU  HN            7 LEU  HN          3.50    (#    370:15  Unique         2.44, 2.57 A)
 &rst
  ixpk= 370, nxpk= 15, iat=  81,  96, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 LEU  HA            7 LEU  HN          3.50    (#    371:15  Unique         2.82, 2.84 A)
 &rst
  ixpk= 371, nxpk= 15, iat=  98,  96, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 ASP  HB+           7 LEU  HN          5.50    (#    372:15  Unique         4.70, 5.04 A)
 &rst
  ixpk= 372, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 119, 120,
 &end
#
#    0 AMB  15-2:373      7 LEU  HN          5.50    (#    373:15  Single Ambig)
 &rst
  ixpk= 373, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 119, 120, 926, 927,
 &end
#
#    0 AMB  15-2:374      7 LEU  HN          4.50    (#    374:15  Single Ambig)
 &rst
  ixpk= 374, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  88,  89,  88,  89,
 &end
#
#    6 GLU  HB+           7 LEU  HN          3.50    (#    375:15  Unique         2.57, 3.22 A)
 &rst
  ixpk= 375, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  85,  86,
 &end
#
#    7 LEU  QB            7 LEU  HN          2.50    (#    376:15  Unique         2.33, 2.47 A)
 &rst
  ixpk= 376, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 100, 101,
 &end
#
#    7 LEU  MDX           7 LEU  HN          4.50    (#    377:15  Unique         4.53, 5.14 A)
 &rst
  ixpk= 377, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 105, 106, 107, 109, 110, 111,
 &end
#
#   11 LEU  HN           10 ALA  HN          3.50    (#    378:15  Unique         2.73, 2.77 A)
 &rst
  ixpk= 378, nxpk= 15, iat= 147, 137, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HN            0 AMB  15-1:379    5.50    (#    379:15  Single Ambig)
 &rst
  ixpk= 379, nxpk= 15, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 137, 127,
 &end
#
#    0 AMB  15-2:380     10 ALA  HN          4.50    (#    380:15  Single Ambig)
 &rst
  ixpk= 380, nxpk= 15, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 931, 932, 166,
 &end
#
#   11 LEU  HA            0 AMB  15-1:381    5.50    (#    381:15  Single Ambig)
 &rst
  ixpk= 381, nxpk= 15, iat= 149,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 137, 127,
 &end
#
#    0 AMB  15-2:382     10 ALA  HN          5.50    (#    382:15  Single Ambig)
 &rst
  ixpk= 382, nxpk= 15, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  88,  89, 923, 924,
 &end
#
#    0 AMB  15-2:383      0 AMB  15-1:383    4.50    (#    383:15  Double Ambig)
 &rst
  ixpk= 383, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  85,  86, 923, 924,  85,  86,
 igr2= 137, 127,
 &end
#
#    0 AMB  15-2:384      0 AMB  15-1:384    4.50    (#    384:15  Double Ambig)
 &rst
  ixpk= 384, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 945, 946, 947, 949, 950, 951, 192, 193, 170, 171,
      
 igr2= 137, 127,
 &end
#
#    0 AMB  15-2:385      0 AMB  15-1:385    4.50    (#    385:15  Double Ambig)
 &rst
  ixpk= 385, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 151, 152, 100, 101,
 igr2= 137, 127,
 &end
#
#   10 ALA  MB           10 ALA  HN          2.50    (#    386:15  Unique         2.39, 2.87 A)
 &rst
  ixpk= 386, nxpk= 15, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 141, 142, 143,
 &end
#
#   62 LEU  MDY          10 ALA  HN          5.50    (#    387:15  Unique         4.94, 6.89 A)
 &rst
  ixpk= 387, nxpk= 15, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  15-2:388     10 ALA  HN          5.50    (#    388:15  Single Ambig)
 &rst
  ixpk= 388, nxpk= 15, iat=  -1, 137, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 105, 106, 107, 109, 110, 111, 156, 157, 158, 160,
       161, 162,
 &end
#
#    0 AMB  15-2:389      0 AMB  15-1:389    5.50    (#    389:15  Double Ambig)
 &rst
  ixpk= 389, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 926, 927,  71,  72,
 igr2= 137, 127,
 &end
#
#   26 PHE  HD           77 ASN  HN          5.50    (#    390:15  Unique         4.44, 5.61 A)
 &rst
  ixpk= 390, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 388, 396,
 &end
#
#   26 PHE  HB+          77 ASN  HN          5.50    (#    391:15  Unique         3.02, 3.83 A)
 &rst
  ixpk= 391, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 384, 385,
 &end
#
#   26 PHE  HN           77 ASN  HN          4.50    (#    392:15  Unique         2.92, 3.10 A)
 &rst
  ixpk= 392, nxpk= 15, iat= 380,1159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 PRO  HA           77 ASN  HN          3.50    (#    393:15  Unique         2.30, 2.34 A)
 &rst
  ixpk= 393, nxpk= 15, iat=1155,1159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 VAL  HA           77 ASN  HN          5.50    (#    394:15  Unique         3.88, 4.06 A)
 &rst
  ixpk= 394, nxpk= 15, iat= 366,1159, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 VAL  HA           77 ASN  HN          4.50    (#    395:15  Unique         3.14, 3.32 A)
 &rst
  ixpk= 395, nxpk= 15, iat=1131,1159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 ASN  HB+          77 ASN  HN          4.50    (#    396:15  Unique         2.62, 2.94 A)
 &rst
  ixpk= 396, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1163,1164,
 &end
#
#    0 AMB  15-2:397     77 ASN  HN          4.50    (#    397:15  Single Ambig)
 &rst
  ixpk= 397, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1152,1153, 384, 385,
 &end
#
#   75 VAL  HB           77 ASN  HN          4.50    (#    398:15  Unique         4.11, 4.38 A)
 &rst
  ixpk= 398, nxpk= 15, iat=1133,1159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 PRO  HB-          77 ASN  HN          4.50    (#    399:15  Unique         2.66, 3.20 A)
 &rst
  ixpk= 399, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1152,1153,
 &end
#
#    0 AMB  15-2:400     77 ASN  HN          4.50    (#    400:15  Single Ambig)
 &rst
  ixpk= 400, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 370, 371, 372, 374, 375, 376,1179,1180,1181,1183,
      1184,1185,
 &end
#
#   77 ASN  HA           77 ASN  HN          4.50    (#    401:15  Unique         2.97, 2.98 A)
 &rst
  ixpk= 401, nxpk= 15, iat=1161,1159, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 ALA  HA           14 ALA  HN          4.50    (#    403:15  Unique         3.81, 3.91 A)
 &rst
  ixpk= 403, nxpk= 15, iat= 139, 210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:404     14 ALA  HN          5.50    (#    404:15  Single Ambig)
 &rst
  ixpk= 404, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 168, 222,
 &end
#
#    0 AMB  15-2:405     14 ALA  HN          5.50    (#    405:15  Single Ambig)
 &rst
  ixpk= 405, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 246, 247, 249, 250,
 &end
#
#   15 LYS  HG-          14 ALA  HN          5.50    (#    406:15  Unique         4.79, 5.70 A)
 &rst
  ixpk= 406, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 227, 228,
 &end
#
#   11 LEU  HN           14 ALA  HN          5.50    (#    407:15  Unique         4.55, 4.60 A)
 &rst
  ixpk= 407, nxpk= 15, iat= 147, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 LYS  HN           14 ALA  HN          4.50    (#    408:15  Unique         2.79, 2.86 A)
 &rst
  ixpk= 408, nxpk= 15, iat= 220, 210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   13 LYS  HN           14 ALA  HN          3.50    (#    409:15  Unique         2.76, 2.82 A)
 &rst
  ixpk= 409, nxpk= 15, iat= 188, 210, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 LYS  HN           14 ALA  HN          5.50    (#    410:15  Unique         4.10, 4.19 A)
 &rst
  ixpk= 410, nxpk= 15, iat= 166, 210, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HA           14 ALA  HN          4.50    (#    411:15  Unique         3.61, 3.62 A)
 &rst
  ixpk= 411, nxpk= 15, iat= 190, 210, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:412     14 ALA  HN          3.50    (#    412:15  Single Ambig)
 &rst
  ixpk= 412, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 212, 149,
 &end
#
#   13 LYS  HB+          14 ALA  HN          4.50    (#    413:15  Unique         2.61, 3.37 A)
 &rst
  ixpk= 413, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 192, 193,
 &end
#
#    0 AMB  15-2:414     14 ALA  HN          4.50    (#    414:15  Single Ambig)
 &rst
  ixpk= 414, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 192, 193, 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  15-2:415     14 ALA  HN          4.50    (#    415:15  Single Ambig)
 &rst
  ixpk= 415, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 198, 199, 151, 152,
 &end
#
#   14 ALA  MB           14 ALA  HN          2.50    (#    416:15  Unique         2.45, 2.91 A)
 &rst
  ixpk= 416, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 214, 215, 216,
 &end
#
#   13 LYS  HG+          14 ALA  HN          4.50    (#    417:15  Unique         3.72, 4.40 A)
 &rst
  ixpk= 417, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 195, 196,
 &end
#
#    0 AMB  15-2:418     14 ALA  HN          3.50    (#    418:15  Single Ambig)
 &rst
  ixpk= 418, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 945, 946, 947, 949, 950, 951, 266, 267, 268, 270,
       271, 272,
 &end
#
#  110 THR  MG2          46 ALA  HN          5.50    (#    420:15  Unique         3.30, 4.49 A)
 &rst
  ixpk= 420, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1662,1663,1664,
 &end
#
#   41 LEU  MDX          46 ALA  HN          5.50    (#    421:15  Unique         4.69, 6.38 A)
 &rst
  ixpk= 421, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#   47 SER  HN           46 ALA  HN          4.50    (#    422:15  Unique         4.53, 4.57 A)
 &rst
  ixpk= 422, nxpk= 15, iat= 712, 702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 GLY  HN           46 ALA  HN          3.50    (#    423:15  Unique         2.30, 2.56 A)
 &rst
  ixpk= 423, nxpk= 15, iat= 695, 702, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:424     46 ALA  HN          5.50    (#    424:15  Single Ambig)
 &rst
  ixpk= 424, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 731, 740, 733, 738,
 &end
#
#   46 ALA  HA           46 ALA  HN          4.50    (#    425:15  Unique         2.88, 2.91 A)
 &rst
  ixpk= 425, nxpk= 15, iat= 704, 702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 THR  HA           46 ALA  HN          4.50    (#    426:15  Unique         3.57, 3.77 A)
 &rst
  ixpk= 426, nxpk= 15, iat= 650, 702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 GLY  HA+          46 ALA  HN          3.50    (#    427:15  Unique         2.85, 3.29 A)
 &rst
  ixpk= 427, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 697, 698,
 &end
#
#   45 GLY  HA-          46 ALA  HN          3.50    (#    428:15  Unique         2.85, 3.29 A)
 &rst
  ixpk= 428, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 697, 698,
 &end
#
#    0 AMB  15-2:429     46 ALA  HN          5.50    (#    429:15  Single Ambig)
 &rst
  ixpk= 429, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 683, 727, 728,
 &end
#
#   46 ALA  MB           46 ALA  HN          2.50    (#    430:15  Unique         2.40, 2.90 A)
 &rst
  ixpk= 430, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 706, 707, 708,
 &end
#
#    0 AMB  15-2:431     46 ALA  HN          5.50    (#    431:15  Single Ambig)
 &rst
  ixpk= 431, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 338, 339, 340, 342, 343, 344,1535,1536,1537,1539,
      1540,1541,
 &end
#
#   44 VAL  MGX          46 ALA  HN          3.50    (#    432:15  Unique         2.30, 4.66 A)
 &rst
  ixpk= 432, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 685, 686, 687, 689, 690, 691,
 &end
#
#    0 AMB  15-2:433     18 ALA  HN          5.50    (#    433:15  Single Ambig)
 &rst
  ixpk= 433, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 242, 220,
 &end
#
#    0 AMB  15-2:434     18 ALA  HN          5.50    (#    434:15  Single Ambig)
 &rst
  ixpk= 434, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 290, 291, 190,
 &end
#
#   17 LEU  HN           18 ALA  HN          3.50    (#    435:15  Unique         2.78, 2.81 A)
 &rst
  ixpk= 435, nxpk= 15, iat= 257, 276, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:436     18 ALA  HN          5.50    (#    436:15  Single Ambig)
 &rst
  ixpk= 436, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 297,1052,
 &end
#
#   26 PHE  HZ           18 ALA  HN          4.50    (#    437:15  Unique         2.51, 2.59 A)
 &rst
  ixpk= 437, nxpk= 15, iat= 392, 276, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 SER  HN           18 ALA  HN          4.50    (#    438:15  Unique         2.78, 2.83 A)
 &rst
  ixpk= 438, nxpk= 15, iat= 286, 276, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:439     18 ALA  HN          4.50    (#    439:15  Single Ambig)
 &rst
  ixpk= 439, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 259, 212, 244,
 &end
#
#    0 AMB  15-2:440     18 ALA  HN          3.50    (#    440:15  Single Ambig)
 &rst
  ixpk= 440, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 278, 222,
 &end
#
#   17 LEU  HB+          18 ALA  HN          4.50    (#    441:15  Unique         2.50, 2.98 A)
 &rst
  ixpk= 441, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#   17 LEU  MDY          18 ALA  HN          5.50    (#    442:15  Unique         4.81, 5.66 A)
 &rst
  ixpk= 442, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 266, 267, 268, 270, 271, 272,
 &end
#
#    0 AMB  15-2:443     18 ALA  HN          5.50    (#    443:15  Single Ambig)
 &rst
  ixpk= 443, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 214, 215, 216, 224, 225,
 &end
#
#   17 LEU  HB-          18 ALA  HN          4.50    (#    444:15  Unique         2.50, 2.98 A)
 &rst
  ixpk= 444, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#   18 ALA  MB           18 ALA  HN          2.50    (#    445:15  Unique         2.44, 2.85 A)
 &rst
  ixpk= 445, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 280, 281, 282,
 &end
#
#   24 VAL  MGX          18 ALA  HN          5.50    (#    446:15  Unique         3.81, 5.26 A)
 &rst
  ixpk= 446, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   69 TRP  HZ3          18 ALA  HN          5.50    (#    447:15  Unique         4.15, 4.45 A)
 &rst
  ixpk= 447, nxpk= 15, iat=1056, 276, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:448     40 LEU  HN          4.50    (#    448:15  Single Ambig)
 &rst
  ixpk= 448, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 600, 601, 666, 667,
 &end
#
#   42 THR  HN           40 LEU  HN          5.50    (#    449:15  Unique         4.05, 4.11 A)
 &rst
  ixpk= 449, nxpk= 15, iat= 648, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:450     40 LEU  HN          3.50    (#    450:15  Single Ambig)
 &rst
  ixpk= 450, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 593, 629,
 &end
#
#    0 AMB  15-2:451     40 LEU  HN          3.50    (#    451:15  Single Ambig)
 &rst
  ixpk= 451, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 612, 533,
 &end
#
#   37 VAL  HA           40 LEU  HN          4.50    (#    452:15  Unique         3.23, 3.35 A)
 &rst
  ixpk= 452, nxpk= 15, iat= 557, 610, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 LYS  HA           40 LEU  HN          5.50    (#    453:15  Unique         4.50, 4.57 A)
 &rst
  ixpk= 453, nxpk= 15, iat= 573, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:454     40 LEU  HN          5.50    (#    454:15  Single Ambig)
 &rst
  ixpk= 454, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 669, 670, 600, 601,
 &end
#
#   39 GLN  QB           40 LEU  HN          3.50    (#    455:15  Unique         2.57, 3.26 A)
 &rst
  ixpk= 455, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 597, 598,
 &end
#
#   38 LYS  HB-          40 LEU  HN          5.50    (#    456:15  Unique         4.95, 5.40 A)
 &rst
  ixpk= 456, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 575, 576,
 &end
#
#   40 LEU  QB           40 LEU  HN          2.50    (#    457:15  Unique         2.28, 2.47 A)
 &rst
  ixpk= 457, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 614, 615,
 &end
#
#   40 LEU  MDY          40 LEU  HN          4.50    (#    458:15  Unique         4.39, 5.08 A)
 &rst
  ixpk= 458, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  15-2:459     40 LEU  HN          5.50    (#    459:15  Single Ambig)
 &rst
  ixpk= 459, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 561, 562, 563, 565, 566, 567,1373,1374,1375,1377,
      1378,1379,
 &end
#
#    0 AMB  15-2:460     40 LEU  HN          4.50    (#    460:15  Single Ambig)
 &rst
  ixpk= 460, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 633, 634, 561, 562, 563, 565, 566, 567,1357,1358,
      1359,1361,1362,1363,1357,1358,1359,1361,1362,1363,
      
 &end
#
#   40 LEU  MDX          40 LEU  HN          5.50    (#    461:15  Unique         4.39, 5.08 A)
 &rst
  ixpk= 461, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   40 LEU  HG           40 LEU  HN          5.50    (#    462:15  Unique         4.51, 4.55 A)
 &rst
  ixpk= 462, nxpk= 15, iat= 617, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   41 LEU  MDY          40 LEU  HN          5.50    (#    463:15  Unique         4.42, 6.61 A)
 &rst
  ixpk= 463, nxpk= 15, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#   43 GLN  HN           40 LEU  HN          5.50    (#    464:15  Unique         4.69, 4.75 A)
 &rst
  ixpk= 464, nxpk= 15, iat= 662, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  102 PRO  HD+         101 LEU  HN          4.50    (#    466:15  Unique         2.43, 2.94 A)
 &rst
  ixpk= 466, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1546,1547,
 &end
#
#  100 LEU  HN          101 LEU  HN          4.50    (#    467:15  Unique         2.56, 2.66 A)
 &rst
  ixpk= 467, nxpk= 15, iat=1507,1526, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 LEU  HA          101 LEU  HN          5.50    (#    468:15  Unique         3.58, 3.60 A)
 &rst
  ixpk= 468, nxpk= 15, iat=1509,1526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  101 LEU  HA          101 LEU  HN          4.50    (#    469:15  Unique         2.80, 2.83 A)
 &rst
  ixpk= 469, nxpk= 15, iat=1528,1526, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  102 PRO  HD-         101 LEU  HN          4.50    (#    470:15  Unique         2.43, 2.94 A)
 &rst
  ixpk= 470, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1546,1547,
 &end
#
#  100 LEU  HB+         101 LEU  HN          5.50    (#    471:15  Unique         2.56, 3.28 A)
 &rst
  ixpk= 471, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1511,1512,
 &end
#
#  101 LEU  QB          101 LEU  HN          3.50    (#    472:15  Unique         2.13, 2.62 A)
 &rst
  ixpk= 472, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1530,1531,
 &end
#
#  101 LEU  MDX         101 LEU  HN          5.50    (#    473:15  Unique         2.62, 4.97 A)
 &rst
  ixpk= 473, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  15-2:474    101 LEU  HN          5.50    (#    474:15  Single Ambig)
 &rst
  ixpk= 474, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 8.43, r4= 8.93,
 igr1=1587,1588,1589,1591,1592,1593,1516,1517,1518,1520,
      1521,1522,1585,
 &end
#
#    0 AMB  15-2:475    101 LEU  HN          5.50    (#    475:15  Single Ambig)
 &rst
  ixpk= 475, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1514,1563,1564,
 &end
#
#   97 ARG  HG-          96 GLN  HN          5.50    (#    476:15  Unique         4.65, 5.47 A)
 &rst
  ixpk= 476, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1461,1462,
 &end
#
#   95 HIS  HN           96 GLN  HN          3.50    (#    477:15  Unique         2.66, 2.71 A)
 &rst
  ixpk= 477, nxpk= 15, iat=1420,1437, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   98 ASN  HN           96 GLN  HN          5.50    (#    478:15  Unique         3.98, 4.04 A)
 &rst
  ixpk= 478, nxpk= 15, iat=1478,1437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:479     96 GLN  HN          4.50    (#    479:15  Single Ambig)
 &rst
  ixpk= 479, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1449,1450,1454,
 &end
#
#   96 GLN  HA           96 GLN  HN          3.50    (#    480:15  Unique         2.81, 2.84 A)
 &rst
  ixpk= 480, nxpk= 15, iat=1439,1437, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   95 HIS  HB-          96 GLN  HN          4.50    (#    481:15  Unique         2.51, 3.29 A)
 &rst
  ixpk= 481, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1424,1425,
 &end
#
#   96 GLN  HG+          96 GLN  HN          4.50    (#    482:15  Unique         2.27, 3.03 A)
 &rst
  ixpk= 482, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1444,1445,
 &end
#
#   96 GLN  HB+          96 GLN  HN          3.50    (#    483:15  Unique         2.35, 3.03 A)
 &rst
  ixpk= 483, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1441,1442,
 &end
#
#   96 GLN  HB-          96 GLN  HN          3.50    (#    484:15  Unique         2.35, 3.03 A)
 &rst
  ixpk= 484, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1441,1442,
 &end
#
#    0 AMB  15-2:485     96 GLN  HN          5.50    (#    485:15  Single Ambig)
 &rst
  ixpk= 485, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1461,1462,1458,1459,
 &end
#
#   92 VAL  MGX          96 GLN  HN          5.50    (#    486:15  Unique         4.49, 6.01 A)
 &rst
  ixpk= 486, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1373,1374,1375,1377,1378,1379,
 &end
#
#   95 HIS  HA           96 GLN  HN          4.50    (#    487:15  Unique         3.61, 3.63 A)
 &rst
  ixpk= 487, nxpk= 15, iat=1422,1437, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97 ARG  HA           96 GLN  HN          5.50    (#    488:15  Unique         5.39, 5.42 A)
 &rst
  ixpk= 488, nxpk= 15, iat=1456,1437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   93 GLU  HA           96 GLN  HN          4.50    (#    489:15  Unique         3.14, 3.42 A)
 &rst
  ixpk= 489, nxpk= 15, iat=1385,1437, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95 HIS  HB+          96 GLN  HN          4.50    (#    490:15  Unique         2.51, 3.29 A)
 &rst
  ixpk= 490, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1424,1425,
 &end
#
#   96 GLN  HG-          96 GLN  HN          4.50    (#    491:15  Unique         2.27, 3.03 A)
 &rst
  ixpk= 491, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1444,1445,
 &end
#
#  100 LEU  MDY          96 GLN  HN          7.00    (#    492:15  Unique         5.55, 7.36 A)
 &rst
  ixpk= 492, nxpk= 15, iat=  -1,1437, r1= 1.30, r2= 1.80, r3= 9.44, r4= 9.94,
 igr1=1516,1517,1518,1520,1521,1522,
 &end
#
#   53 LEU  MDX          27 SER  HN          5.50    (#    493:15  Unique         2.38, 4.69 A)
 &rst
  ixpk= 493, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  15-2:494     27 SER  HN          5.50    (#    494:15  Single Ambig)
 &rst
  ixpk= 494, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 782, 798,
 &end
#
#   26 PHE  HD           27 SER  HN          5.50    (#    495:15  Unique         4.18, 5.20 A)
 &rst
  ixpk= 495, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 388, 396,
 &end
#
#   27 SER  HB+          27 SER  HN          5.50    (#    497:15  Unique         2.58, 3.42 A)
 &rst
  ixpk= 497, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 404, 405,
 &end
#
#   27 SER  HB-          27 SER  HN          5.50    (#    498:15  Unique         2.58, 3.42 A)
 &rst
  ixpk= 498, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 404, 405,
 &end
#
#    0 AMB  15-2:499     27 SER  HN          5.50    (#    499:15  Single Ambig)
 &rst
  ixpk= 499, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 805, 806, 368, 802, 803,
 &end
#
#   51 VAL  MGX          27 SER  HN          5.50    (#    500:15  Unique         4.30, 5.65 A)
 &rst
  ixpk= 500, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#   53 LEU  HN           27 SER  HN          5.50    (#    501:15  Unique         2.84, 2.99 A)
 &rst
  ixpk= 501, nxpk= 15, iat= 813, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 SER  HA           27 SER  HN          4.50    (#    502:15  Unique         2.91, 2.95 A)
 &rst
  ixpk= 502, nxpk= 15, iat= 402, 400, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 PHE  HA           27 SER  HN          3.50    (#    503:15  Unique         2.16, 2.22 A)
 &rst
  ixpk= 503, nxpk= 15, iat= 382, 400, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   26 PHE  HB+          27 SER  HN          5.50    (#    504:15  Unique         3.13, 3.78 A)
 &rst
  ixpk= 504, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 384, 385,
 &end
#
#   26 PHE  HB-          27 SER  HN          5.50    (#    505:15  Unique         3.13, 3.78 A)
 &rst
  ixpk= 505, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 384, 385,
 &end
#
#   53 LEU  HG           27 SER  HN          5.50    (#    506:15  Unique         2.79, 4.19 A)
 &rst
  ixpk= 506, nxpk= 15, iat= 820, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 VAL  HB           27 SER  HN          5.50    (#    507:15  Unique         3.32, 3.60 A)
 &rst
  ixpk= 507, nxpk= 15, iat= 786, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:508     27 SER  HN          4.50    (#    508:15  Single Ambig)
 &rst
  ixpk= 508, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 822, 823, 824, 826, 827, 828,1135,1136,1137,1139,
      1140,1141,
 &end
#
#    0 AMB  15-2:510    113 ASN  HN          7.00    (#    510:15  Single Ambig)
 &rst
  ixpk= 510, nxpk= 15, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1726,1658,
 &end
#
#  114 PRO  HD-         113 ASN  HN          5.50    (#    511:15  Unique         2.47, 4.25 A)
 &rst
  ixpk= 511, nxpk= 15, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1717,1718,
 &end
#
#   84 GLN  HE2-         72 ARG  HN          5.50    (#    516:15  Unique         3.28, 5.90 A)
 &rst
  ixpk= 516, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1276,1277,
 &end
#
#   77 ASN  HD2-         72 ARG  HN          5.50    (#    517:15  Unique         3.59, 4.19 A)
 &rst
  ixpk= 517, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1168,1169,
 &end
#
#   72 ARG  HA           72 ARG  HN          4.50    (#    519:15  Unique         2.94, 2.97 A)
 &rst
  ixpk= 519, nxpk= 15, iat=1086,1084, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 ALA  HA           72 ARG  HN          3.50    (#    520:15  Unique         2.83, 3.18 A)
 &rst
  ixpk= 520, nxpk= 15, iat=1014,1084, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 THR  HN           72 ARG  HN          4.50    (#    521:15  Unique         3.37, 3.61 A)
 &rst
  ixpk= 521, nxpk= 15, iat=1063,1084, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 GLY  HA+          72 ARG  HN          3.50    (#    522:15  Unique         3.12, 3.35 A)
 &rst
  ixpk= 522, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1079,1080,
 &end
#
#   70 THR  HB           72 ARG  HN          5.50    (#    523:15  Unique         3.07, 3.41 A)
 &rst
  ixpk= 523, nxpk= 15, iat=1067,1084, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 ARG  HB+          72 ARG  HN          4.50    (#    524:15  Unique         2.39, 3.02 A)
 &rst
  ixpk= 524, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1088,1089,
 &end
#
#    0 AMB  15-2:525     72 ARG  HN          3.50    (#    525:15  Single Ambig)
 &rst
  ixpk= 525, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1088,1089,1091,1092,
 &end
#
#   70 THR  MG2          72 ARG  HN          4.50    (#    526:15  Unique         4.65, 4.98 A)
 &rst
  ixpk= 526, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1069,1070,1071,
 &end
#
#   60 SER  HN           62 LEU  HN          5.50    (#    528:15  Unique         4.08, 4.22 A)
 &rst
  ixpk= 528, nxpk= 15, iat= 908, 936, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 GLN  HN           62 LEU  HN          3.50    (#    530:15  Unique         2.39, 2.45 A)
 &rst
  ixpk= 530, nxpk= 15, iat= 919, 936, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   62 LEU  HA           62 LEU  HN          4.50    (#    531:15  Unique         2.83, 2.85 A)
 &rst
  ixpk= 531, nxpk= 15, iat= 938, 936, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 GLY  HA+          62 LEU  HN          5.50    (#    532:15  Unique         3.28, 4.15 A)
 &rst
  ixpk= 532, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 903, 904,
 &end
#
#   58 ASP  HB-          62 LEU  HN          5.50    (#    533:15  Unique         4.05, 4.95 A)
 &rst
  ixpk= 533, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 893, 894,
 &end
#
#   61 GLN  HG+          62 LEU  HN          4.50    (#    534:15  Unique         2.33, 4.51 A)
 &rst
  ixpk= 534, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 926, 927,
 &end
#
#   61 GLN  HB+          62 LEU  HN          3.50    (#    535:15  Unique         2.57, 3.42 A)
 &rst
  ixpk= 535, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 923, 924,
 &end
#
#   62 LEU  HB+          62 LEU  HN          3.50    (#    536:15  Unique         2.10, 2.62 A)
 &rst
  ixpk= 536, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 940, 941,
 &end
#
#   62 LEU  MDX          62 LEU  HN          3.50    (#    537:15  Unique         2.40, 4.70 A)
 &rst
  ixpk= 537, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 945, 946, 947, 949, 950, 951,
 &end
#
#   10 ALA  MB           62 LEU  HN          4.50    (#    538:15  Unique         3.78, 4.57 A)
 &rst
  ixpk= 538, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 141, 142, 143,
 &end
#
#   62 LEU  HB-          62 LEU  HN          4.50    (#    539:15  Unique         2.10, 2.62 A)
 &rst
  ixpk= 539, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 940, 941,
 &end
#
#   62 LEU  MDY          62 LEU  HN          4.50    (#    540:15  Unique         2.40, 4.70 A)
 &rst
  ixpk= 540, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 945, 946, 947, 949, 950, 951,
 &end
#
#  112 LYS  HN          113 ASN  HN          4.50    (#    541:15  Unique         2.25, 2.74 A)
 &rst
  ixpk= 541, nxpk= 15, iat=1680,1702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  113 ASN  HA          113 ASN  HN          4.50    (#    542:15  Unique         2.24, 2.88 A)
 &rst
  ixpk= 542, nxpk= 15, iat=1704,1702, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:544    113 ASN  HN          3.50    (#    544:15  Single Ambig)
 &rst
  ixpk= 544, nxpk= 15, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1682,1672,
 &end
#
#  113 ASN  HB-         113 ASN  HN          4.50    (#    545:15  Unique         2.24, 3.02 A)
 &rst
  ixpk= 545, nxpk= 15, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1706,1707,
 &end
#
#  113 ASN  HB+         113 ASN  HN          4.50    (#    546:15  Unique         2.24, 3.02 A)
 &rst
  ixpk= 546, nxpk= 15, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1706,1707,
 &end
#
#    0 AMB  15-2:547    113 ASN  HN          4.50    (#    547:15  Single Ambig)
 &rst
  ixpk= 547, nxpk= 15, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1684,1685,1684,1685,
 &end
#
#    0 AMB  15-2:548    113 ASN  HN          4.50    (#    548:15  Single Ambig)
 &rst
  ixpk= 548, nxpk= 15, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1687,1688,1674,1675,1676,
 &end
#
#  105 GLN  HN          106 ASP  HN          3.50    (#    549:15  Unique         2.63, 2.70 A)
 &rst
  ixpk= 549, nxpk= 15, iat=1597,1614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  107 ALA  HN          106 ASP  HN          3.50    (#    550:15  Unique         2.67, 2.73 A)
 &rst
  ixpk= 550, nxpk= 15, iat=1626,1614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  103 LEU  HN          106 ASP  HN          5.50    (#    551:15  Unique         4.63, 4.69 A)
 &rst
  ixpk= 551, nxpk= 15, iat=1559,1614, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106 ASP  HA          106 ASP  HN          3.50    (#    552:15  Unique         2.82, 2.85 A)
 &rst
  ixpk= 552, nxpk= 15, iat=1616,1614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  105 GLN  HA          106 ASP  HN          3.50    (#    553:15  Unique         3.55, 3.57 A)
 &rst
  ixpk= 553, nxpk= 15, iat=1599,1614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  106 ASP  HB-         106 ASP  HN          3.50    (#    554:15  Unique         2.34, 2.50 A)
 &rst
  ixpk= 554, nxpk= 15, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1618,1619,
 &end
#
#    0 AMB  15-2:555    106 ASP  HN          4.50    (#    555:15  Single Ambig)
 &rst
  ixpk= 555, nxpk= 15, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1604,1605,1552,1553,
 &end
#
#  105 GLN  HB+         106 ASP  HN          3.50    (#    556:15  Unique         2.51, 3.08 A)
 &rst
  ixpk= 556, nxpk= 15, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1601,1602,
 &end
#
#  105 GLN  HB-         106 ASP  HN          3.50    (#    557:15  Unique         2.51, 3.08 A)
 &rst
  ixpk= 557, nxpk= 15, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1601,1602,
 &end
#
#    0 AMB  15-2:558    106 ASP  HN          4.50    (#    558:15  Single Ambig)
 &rst
  ixpk= 558, nxpk= 15, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1630,1631,1632,1563,1564,1640,1641,1642,
 &end
#
#    8 ASP  HB+           6 GLU  HN          5.50    (#    559:15  Unique         5.00, 5.62 A)
 &rst
  ixpk= 559, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 119, 120,
 &end
#
#    5 GLN  HN            6 GLU  HN          4.50    (#    560:15  Unique         2.52, 2.66 A)
 &rst
  ixpk= 560, nxpk= 15, iat=  64,  81, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 LEU  HN            6 GLU  HN          3.50    (#    561:15  Unique         2.44, 2.57 A)
 &rst
  ixpk= 561, nxpk= 15, iat=  96,  81, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 SER  HA            6 GLU  HN          5.50    (#    563:15  Unique         2.98, 3.90 A)
 &rst
  ixpk= 563, nxpk= 15, iat=  33,  81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:564      6 GLU  HN          3.50    (#    564:15  Single Ambig)
 &rst
  ixpk= 564, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  83,  44,
 &end
#
#    5 GLN  QG            6 GLU  HN          5.50    (#    565:15  Unique         3.97, 4.75 A)
 &rst
  ixpk= 565, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  71,  72,
 &end
#
#    0 AMB  15-2:566      6 GLU  HN          3.50    (#    566:15  Single Ambig)
 &rst
  ixpk= 566, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  88,  89,  88,  89,
 &end
#
#    6 GLU  HB-           6 GLU  HN          3.50    (#    567:15  Unique         2.28, 2.95 A)
 &rst
  ixpk= 567, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  85,  86,
 &end
#
#    0 AMB  15-2:568      6 GLU  HN          3.50    (#    568:15  Single Ambig)
 &rst
  ixpk= 568, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  85,  86,  68,  69,
 &end
#
#    4 LYS  HB-           6 GLU  HN          5.50    (#    569:15  Unique         4.99, 5.54 A)
 &rst
  ixpk= 569, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  46,  47,
 &end
#
#    0 AMB  15-2:570      6 GLU  HN          5.50    (#    570:15  Single Ambig)
 &rst
  ixpk= 570, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 100, 101,  52,  53,
 &end
#
#    0 AMB  15-2:571      6 GLU  HN          4.50    (#    571:15  Single Ambig)
 &rst
  ixpk= 571, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 131, 132, 133,  49,  50,
 &end
#
#  107 ALA  MB           81 GLY  HN          4.50    (#    572:15  Unique         2.55, 3.50 A)
 &rst
  ixpk= 572, nxpk= 15, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1630,1631,1632,
 &end
#
#   82 GLY  HN           81 GLY  HN          5.50    (#    573:15  Unique         2.75, 2.80 A)
 &rst
  ixpk= 573, nxpk= 15, iat=1235,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   80 ILE  HA           81 GLY  HN          3.50    (#    574:15  Unique         2.21, 2.24 A)
 &rst
  ixpk= 574, nxpk= 15, iat=1211,1228, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 GLY  HA+          81 GLY  HN          4.50    (#    575:15  Unique         2.28, 2.55 A)
 &rst
  ixpk= 575, nxpk= 15, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1230,1231,
 &end
#
#   81 GLY  HA-          81 GLY  HN          4.50    (#    576:15  Unique         2.28, 2.55 A)
 &rst
  ixpk= 576, nxpk= 15, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1230,1231,
 &end
#
#   23 VAL  MGX          81 GLY  HN          5.50    (#    577:15  Unique         3.79, 5.50 A)
 &rst
  ixpk= 577, nxpk= 15, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   80 ILE  MG2          81 GLY  HN          4.50    (#    578:15  Unique         2.56, 3.24 A)
 &rst
  ixpk= 578, nxpk= 15, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1215,1216,1217,
 &end
#
#    7 LEU  HN            8 ASP  HN          3.50    (#    580:15  Unique         2.64, 2.76 A)
 &rst
  ixpk= 580, nxpk= 15, iat=  96, 115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 LEU  MDX           8 ASP  HN          5.50    (#    581:15  Unique         3.28, 5.31 A)
 &rst
  ixpk= 581, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 105, 106, 107, 109, 110, 111,
 &end
#
#   91 VAL  HN           93 GLU  HN          5.50    (#    582:15  Unique         4.21, 4.28 A)
 &rst
  ixpk= 582, nxpk= 15, iat=1351,1383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   89 ASP  HA           93 GLU  HN          5.50    (#    583:15  Unique         3.74, 3.83 A)
 &rst
  ixpk= 583, nxpk= 15, iat=1327,1383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   93 GLU  HA           93 GLU  HN          3.50    (#    584:15  Unique         2.82, 2.84 A)
 &rst
  ixpk= 584, nxpk= 15, iat=1385,1383, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:585     93 GLU  HN          5.50    (#    585:15  Single Ambig)
 &rst
  ixpk= 585, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1444,1445,1329,1330,
 &end
#
#    0 AMB  15-2:586     93 GLU  HN          3.50    (#    586:15  Single Ambig)
 &rst
  ixpk= 586, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1387,1388,1371,
 &end
#
#   90 THR  HA           93 GLU  HN          4.50    (#    587:15  Unique         3.59, 3.67 A)
 &rst
  ixpk= 587, nxpk= 15, iat=1339,1383, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92 VAL  HA           93 GLU  HN          5.50    (#    588:15  Unique         3.60, 3.64 A)
 &rst
  ixpk= 588, nxpk= 15, iat=1369,1383, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:589     93 GLU  HN          4.50    (#    589:15  Single Ambig)
 &rst
  ixpk= 589, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1390,1391,1441,1442,
 &end
#
#   92 VAL  MGX          93 GLU  HN          4.50    (#    590:15  Unique         2.58, 4.57 A)
 &rst
  ixpk= 590, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1373,1374,1375,1377,1378,1379,
 &end
#
#    0 AMB  15-2:591     93 GLU  HN          5.50    (#    591:15  Single Ambig)
 &rst
  ixpk= 591, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1337,1307,
 &end
#
#   36 ARG  HA           38 LYS  HN          5.50    (#    594:15  Unique         4.57, 4.67 A)
 &rst
  ixpk= 594, nxpk= 15, iat= 533, 571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 LYS  HD-          38 LYS  HN          5.50    (#    595:15  Unique         3.55, 4.11 A)
 &rst
  ixpk= 595, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 581, 582,
 &end
#
#   38 LYS  HD+          38 LYS  HN          4.50    (#    596:15  Unique         3.55, 4.11 A)
 &rst
  ixpk= 596, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 581, 582,
 &end
#
#   38 LYS  HG+          38 LYS  HN          4.50    (#    597:15  Unique         2.20, 2.92 A)
 &rst
  ixpk= 597, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 578, 579,
 &end
#
#   37 VAL  HN           38 LYS  HN          4.50    (#    598:15  Unique         2.74, 2.81 A)
 &rst
  ixpk= 598, nxpk= 15, iat= 555, 571, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:599     38 LYS  HN          5.50    (#    599:15  Single Ambig)
 &rst
  ixpk= 599, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 733, 738, 731, 740,
 &end
#
#   35 ASN  HA           38 LYS  HN          5.50    (#    600:15  Unique         3.34, 3.54 A)
 &rst
  ixpk= 600, nxpk= 15, iat= 519, 571, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:601     38 LYS  HN          5.50    (#    601:15  Single Ambig)
 &rst
  ixpk= 601, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 508, 595,
 &end
#
#    0 AMB  15-2:602     38 LYS  HN          5.50    (#    602:15  Single Ambig)
 &rst
  ixpk= 602, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 557, 510, 511,
 &end
#
#   38 LYS  HA           38 LYS  HN          4.50    (#    603:15  Unique         2.80, 2.82 A)
 &rst
  ixpk= 603, nxpk= 15, iat= 573, 571, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:604     38 LYS  HN          3.50    (#    604:15  Single Ambig)
 &rst
  ixpk= 604, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 575, 576, 559,
 &end
#
#   37 VAL  MGY          38 LYS  HN          5.50    (#    605:15  Unique         3.35, 4.51 A)
 &rst
  ixpk= 605, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#   37 VAL  MGX          38 LYS  HN          4.50    (#    606:15  Unique         3.35, 4.51 A)
 &rst
  ixpk= 606, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  15-2:607    106 ASP  HN          5.50    (#    607:15  Single Ambig)
 &rst
  ixpk= 607, nxpk= 15, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1552,1553,1587,1588,1589,1591,1592,1593,1533,
 &end
#
#    0 AMB  15-2:608    106 ASP  HN          4.50    (#    608:15  Single Ambig)
 &rst
  ixpk= 608, nxpk= 15, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1742,1555,
 &end
#
#  104 LEU  HA          106 ASP  HN          5.50    (#    609:15  Unique         4.33, 4.48 A)
 &rst
  ixpk= 609, nxpk= 15, iat=1580,1614, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 ASP  HA            8 ASP  HN          3.50    (#    612:15  Unique         2.84, 2.85 A)
 &rst
  ixpk= 612, nxpk= 15, iat= 117, 115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:613      8 ASP  HN          3.50    (#    613:15  Single Ambig)
 &rst
  ixpk= 613, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  66,  98,
 &end
#
#    7 LEU  QB            8 ASP  HN          3.50    (#    614:15  Unique         2.47, 3.22 A)
 &rst
  ixpk= 614, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 100, 101,
 &end
#
#    9 ALA  HN            8 ASP  HN          3.50    (#    615:15  Unique         2.72, 2.76 A)
 &rst
  ixpk= 615, nxpk= 15, iat= 127, 115, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 ASP  HB+           8 ASP  HN          3.50    (#    617:15  Unique         2.33, 2.50 A)
 &rst
  ixpk= 617, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 119, 120,
 &end
#
#    8 ASP  HB-           8 ASP  HN          3.50    (#    618:15  Unique         2.33, 2.50 A)
 &rst
  ixpk= 618, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 119, 120,
 &end
#
#    0 AMB  15-2:619      8 ASP  HN          4.50    (#    619:15  Single Ambig)
 &rst
  ixpk= 619, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  49,  50, 131, 132, 133, 987, 988, 989,
 &end
#
#   96 GLN  HN           95 HIS  HN          4.50    (#    620:15  Unique         2.66, 2.71 A)
 &rst
  ixpk= 620, nxpk= 15, iat=1437,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 LEU  HN           95 HIS  HN          5.50    (#    621:15  Unique         4.14, 4.23 A)
 &rst
  ixpk= 621, nxpk= 15, iat=1507,1420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 HIS  HD2          95 HIS  HN          5.50    (#    622:15  Unique         4.99, 5.09 A)
 &rst
  ixpk= 622, nxpk= 15, iat=1433,1420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96 GLN  HG+          95 HIS  HN          5.50    (#    623:15  Unique         4.42, 5.40 A)
 &rst
  ixpk= 623, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1444,1445,
 &end
#
#   95 HIS  HA           95 HIS  HN          4.50    (#    624:15  Unique         2.86, 2.88 A)
 &rst
  ixpk= 624, nxpk= 15, iat=1422,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 VAL  HA           95 HIS  HN          5.50    (#    625:15  Unique         3.59, 3.80 A)
 &rst
  ixpk= 625, nxpk= 15, iat=1353,1420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 HIS  HB+          95 HIS  HN          3.50    (#    626:15  Unique         2.41, 2.55 A)
 &rst
  ixpk= 626, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1424,1425,
 &end
#
#   96 GLN  HG-          95 HIS  HN          5.50    (#    627:15  Unique         4.42, 5.40 A)
 &rst
  ixpk= 627, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1444,1445,
 &end
#
#   94 LYS  HB+          95 HIS  HN          4.50    (#    628:15  Unique         2.88, 3.43 A)
 &rst
  ixpk= 628, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1402,1403,
 &end
#
#    0 AMB  15-2:629     95 HIS  HN          4.50    (#    629:15  Single Ambig)
 &rst
  ixpk= 629, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1405,1406,1461,1462,
 &end
#
#   94 LYS  HB-          95 HIS  HN          4.50    (#    630:15  Unique         2.88, 3.43 A)
 &rst
  ixpk= 630, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1402,1403,
 &end
#
#  100 LEU  HB-          95 HIS  HN          5.50    (#    631:15  Unique         2.95, 3.50 A)
 &rst
  ixpk= 631, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1511,1512,
 &end
#
#    0 AMB  15-2:632     95 HIS  HN          4.50    (#    632:15  Single Ambig)
 &rst
  ixpk= 632, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1516,1517,1518,1520,1521,1522,1516,1517,1518,1520,
      1521,1522,
 &end
#
#   40 LEU  HG           95 HIS  HN          7.00    (#    633:15  Unique         5.59, 5.70 A)
 &rst
  ixpk= 633, nxpk= 15, iat= 617,1420, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-2:634      0 AMB  15-1:634    5.50    (#    634:15  Double Ambig)
 &rst
  ixpk= 634, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1449,1450,1454,
 igr2=1383,1420,
 &end
#
#    0 AMB  15-2:635     93 GLU  HN          5.50    (#    635:15  Single Ambig)
 &rst
  ixpk= 635, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1337,1307,
 &end
#
#   40 LEU  MDX          93 GLU  HN          5.50    (#    636:15  Unique         5.38, 6.64 A)
 &rst
  ixpk= 636, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  15-2:637     93 GLU  HN          5.50    (#    637:15  Single Ambig)
 &rst
  ixpk= 637, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1343,1344,1345,1511,1512,
 &end
#
#  110 THR  MG2         112 LYS  HN          7.00    (#    638:15  Unique         2.69, 5.39 A)
 &rst
  ixpk= 638, nxpk= 15, iat=  -1,1680, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1662,1663,1664,
 &end
#
#  113 ASN  HN          112 LYS  HN          5.50    (#    639:15  Unique         2.25, 2.74 A)
 &rst
  ixpk= 639, nxpk= 15, iat=1702,1680, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  111 ALA  HN          112 LYS  HN          4.50    (#    640:15  Unique         2.13, 2.95 A)
 &rst
  ixpk= 640, nxpk= 15, iat=1670,1680, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 THR  HN          112 LYS  HN          5.50    (#    641:15  Unique         3.80, 4.78 A)
 &rst
  ixpk= 641, nxpk= 15, iat=1656,1680, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  113 ASN  HA          112 LYS  HN          7.00    (#    642:15  Unique         4.51, 5.21 A)
 &rst
  ixpk= 642, nxpk= 15, iat=1704,1680, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-2:644    112 LYS  HN          3.50    (#    644:15  Single Ambig)
 &rst
  ixpk= 644, nxpk= 15, iat=  -1,1680, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1672,1660,1682,
 &end
#
#  112 LYS  HB-         112 LYS  HN          3.50    (#    645:15  Unique         2.26, 2.97 A)
 &rst
  ixpk= 645, nxpk= 15, iat=  -1,1680, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1684,1685,
 &end
#
#  112 LYS  QG          112 LYS  HN          4.50    (#    646:15  Unique         2.07, 3.27 A)
 &rst
  ixpk= 646, nxpk= 15, iat=  -1,1680, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1687,1688,
 &end
#
#   15 LYS  HG+          16 GLU  HN          5.50    (#    648:15  Unique         2.53, 4.76 A)
 &rst
  ixpk= 648, nxpk= 15, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 227, 228,
 &end
#
#   17 LEU  HN           16 GLU  HN          3.50    (#    649:15  Unique         2.73, 2.81 A)
 &rst
  ixpk= 649, nxpk= 15, iat= 257, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 LYS  HA           16 GLU  HN          4.50    (#    651:15  Unique         3.09, 3.33 A)
 &rst
  ixpk= 651, nxpk= 15, iat= 190, 242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 GLU  HA           16 GLU  HN          3.50    (#    652:15  Unique         2.80, 2.84 A)
 &rst
  ixpk= 652, nxpk= 15, iat= 244, 242, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:653      0 AMB  15-1:653    4.50    (#    653:15  Double Ambig)
 &rst
  ixpk= 653, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1237,1238, 222,
 igr2=1242, 242,
 &end
#
#   16 GLU  HG-          16 GLU  HN          4.50    (#    654:15  Unique         2.37, 3.80 A)
 &rst
  ixpk= 654, nxpk= 15, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 249, 250,
 &end
#
#    0 AMB  15-2:655     16 GLU  HN          3.50    (#    655:15  Single Ambig)
 &rst
  ixpk= 655, nxpk= 15, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 246, 247, 249, 250,
 &end
#
#   16 GLU  HB-          16 GLU  HN          3.50    (#    656:15  Unique         2.11, 2.72 A)
 &rst
  ixpk= 656, nxpk= 15, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 246, 247,
 &end
#
#    0 AMB  15-2:657      0 AMB  15-1:657    5.50    (#    657:15  Double Ambig)
 &rst
  ixpk= 657, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 261, 262,1219,1220,
 igr2= 242,1242,
 &end
#
#    0 AMB  15-2:658      0 AMB  15-1:658    4.50    (#    658:15  Double Ambig)
 &rst
  ixpk= 658, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1= 264, 280, 281, 282,1568,1569,1570,1572,1573,1574,
      1568,1569,1570,1572,1573,1574,
 igr2= 242,1242,
 &end
#
#   82 GLY  HN           83 LYS  HN          4.50    (#    659:15  Unique         2.68, 2.74 A)
 &rst
  ixpk= 659, nxpk= 15, iat=1235,1242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:660      0 AMB  15-1:660    3.50    (#    660:15  Double Ambig)
 &rst
  ixpk= 660, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1209, 276,
 igr2=1242, 242,
 &end
#
#    0 AMB  15-2:661      0 AMB  15-1:661    5.50    (#    661:15  Double Ambig)
 &rst
  ixpk= 661, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1197,1205, 286,
 igr2=1242, 242,
 &end
#
#    0 AMB  15-2:662     83 LYS  HN          5.50    (#    662:15  Single Ambig)
 &rst
  ixpk= 662, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1211, 334,
 &end
#
#   83 LYS  HA           83 LYS  HN          4.50    (#    663:15  Unique         2.97, 2.98 A)
 &rst
  ixpk= 663, nxpk= 15, iat=1244,1242, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 GLY  HA+          83 LYS  HN          4.50    (#    664:15  Unique         3.15, 3.37 A)
 &rst
  ixpk= 664, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1237,1238,
 &end
#
#    0 AMB  15-2:665      0 AMB  15-1:665    5.50    (#    665:15  Double Ambig)
 &rst
  ixpk= 665, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 176, 177,1213,
 igr2= 242,1242,
 &end
#
#   83 LYS  QG           83 LYS  HN          4.50    (#    666:15  Unique         2.51, 4.14 A)
 &rst
  ixpk= 666, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1249,1250,
 &end
#
#    0 AMB  15-2:667      0 AMB  15-1:667    5.50    (#    667:15  Double Ambig)
 &rst
  ixpk= 667, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1291,1292, 230, 231,
 igr2=1242, 242,
 &end
#
#   15 LYS  HG-          16 GLU  HN          5.50    (#    668:15  Unique         2.53, 4.76 A)
 &rst
  ixpk= 668, nxpk= 15, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 227, 228,
 &end
#
#   84 GLN  HA           83 LYS  HN          5.50    (#    669:15  Unique         4.85, 4.96 A)
 &rst
  ixpk= 669, nxpk= 15, iat=1266,1242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83 LYS  QB           83 LYS  HN          3.50    (#    670:15  Unique         2.47, 3.02 A)
 &rst
  ixpk= 670, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1246,1247,
 &end
#
#    0 AMB  15-2:671      0 AMB  15-1:671    4.50    (#    671:15  Double Ambig)
 &rst
  ixpk= 671, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 198, 199,1291,1292,1252,1253,
 igr2= 242,1242,
 &end
#
#    0 AMB  15-2:672      0 AMB  15-1:672    4.50    (#    672:15  Double Ambig)
 &rst
  ixpk= 672, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1215,1216,1217, 266, 267, 268, 270, 271, 272, 945,
       946, 947, 949, 950, 951,
 igr2=1242, 242,
 &end
#
#   79 PHE  HB+          83 LYS  HN          5.50    (#    673:15  Unique         3.31, 4.32 A)
 &rst
  ixpk= 673, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#    0 AMB  15-2:674     36 ARG  HN          5.50    (#    674:15  Single Ambig)
 &rst
  ixpk= 674, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 571, 593,
 &end
#
#    0 AMB  15-2:676      0 AMB  15-1:676    4.50    (#    676:15  Double Ambig)
 &rst
  ixpk= 676, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1339, 480, 481, 508,
 igr2=1351, 531,
 &end
#
#    0 AMB  15-2:677      0 AMB  15-1:677    5.50    (#    677:15  Double Ambig)
 &rst
  ixpk= 677, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1=1309,1310, 510, 511, 557,1146,1147,
 igr2=1351, 531,
 &end
#
#   36 ARG  HB-          36 ARG  HN          3.50    (#    678:15  Unique         2.32, 2.64 A)
 &rst
  ixpk= 678, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 535, 536,
 &end
#
#   36 ARG  HB+          36 ARG  HN          2.50    (#    679:15  Unique         2.32, 2.64 A)
 &rst
  ixpk= 679, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 535, 536,
 &end
#
#   36 ARG  HG+          36 ARG  HN          4.50    (#    680:15  Unique         2.36, 4.15 A)
 &rst
  ixpk= 680, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 538, 539,
 &end
#
#   34 CYS  HN           36 ARG  HN          5.50    (#    681:15  Unique         3.84, 3.99 A)
 &rst
  ixpk= 681, nxpk= 15, iat= 506, 531, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 ASN  HN           36 ARG  HN          4.50    (#    682:15  Unique         2.81, 2.88 A)
 &rst
  ixpk= 682, nxpk= 15, iat= 517, 531, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:683     36 ARG  HN          4.50    (#    683:15  Single Ambig)
 &rst
  ixpk= 683, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 487, 519,
 &end
#
#   36 ARG  HA           36 ARG  HN          3.50    (#    684:15  Unique         2.80, 2.82 A)
 &rst
  ixpk= 684, nxpk= 15, iat= 533, 531, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:685     36 ARG  HN          5.50    (#    685:15  Single Ambig)
 &rst
  ixpk= 685, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 541, 542,1318,1319,
 &end
#
#   35 ASN  HB+          36 ARG  HN          4.50    (#    686:15  Unique         2.61, 3.42 A)
 &rst
  ixpk= 686, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 521, 522,
 &end
#
#   36 ARG  HG-          36 ARG  HN          4.50    (#    687:15  Unique         2.36, 4.15 A)
 &rst
  ixpk= 687, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 538, 539,
 &end
#
#   39 GLN  HG-          36 ARG  HN          5.50    (#    688:15  Unique         4.75, 5.94 A)
 &rst
  ixpk= 688, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 600, 601,
 &end
#
#   79 PHE  HB+          83 LYS  HN          5.50    (#    690:15  Unique         3.31, 4.32 A)
 &rst
  ixpk= 690, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#   79 PHE  HB-          83 LYS  HN          5.50    (#    691:15  Unique         3.31, 4.32 A)
 &rst
  ixpk= 691, nxpk= 15, iat=  -1,1242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#   81 GLY  HN           83 LYS  HN          5.50    (#    692:15  Unique         4.30, 4.36 A)
 &rst
  ixpk= 692, nxpk= 15, iat=1228,1242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 PHE  HA           83 LYS  HN          5.50    (#    693:15  Unique         4.18, 4.28 A)
 &rst
  ixpk= 693, nxpk= 15, iat=1191,1242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92 VAL  HN           91 VAL  HN          3.50    (#    695:15  Unique         2.69, 2.72 A)
 &rst
  ixpk= 695, nxpk= 15, iat=1367,1351, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   88 CYS  HA           91 VAL  HN          5.50    (#    696:15  Unique         3.56, 3.64 A)
 &rst
  ixpk= 696, nxpk= 15, iat=1316,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:697      0 AMB  15-1:697    4.50    (#    697:15  Double Ambig)
 &rst
  ixpk= 697, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1343,1344,1345, 578, 579,
 igr2=1351, 531,
 &end
#
#    0 AMB  15-2:698      0 AMB  15-1:698    4.50    (#    698:15  Double Ambig)
 &rst
  ixpk= 698, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1373,1374,1375,1377,1378,1379, 561, 562, 563, 565,
       566, 567,
 igr2=1351, 531,
 &end
#
#    0 AMB  15-2:699     91 VAL  HN          3.50    (#    699:15  Single Ambig)
 &rst
  ixpk= 699, nxpk= 15, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   89 ASP  HA           91 VAL  HN          5.50    (#    700:15  Unique         4.63, 4.68 A)
 &rst
  ixpk= 700, nxpk= 15, iat=1327,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90 THR  HB           91 VAL  HN          4.50    (#    701:15  Unique         2.44, 2.48 A)
 &rst
  ixpk= 701, nxpk= 15, iat=1341,1351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 VAL  HA           91 VAL  HN          4.50    (#    702:15  Unique         2.88, 2.89 A)
 &rst
  ixpk= 702, nxpk= 15, iat=1353,1351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:703      0 AMB  15-1:703    5.50    (#    703:15  Double Ambig)
 &rst
  ixpk= 703, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 600, 601,1318,1319, 473, 472,
 igr2= 531,1351,
 &end
#
#    0 AMB  15-2:704     91 VAL  HN          5.50    (#    704:15  Single Ambig)
 &rst
  ixpk= 704, nxpk= 15, iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1287,1288,1289, 619, 620, 621, 623, 624, 625,
 &end
#
#    0 AMB  15-2:706    107 ALA  HN          5.50    (#    706:15  Single Ambig)
 &rst
  ixpk= 706, nxpk= 15, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 325, 326,1604,1605,1552,1553,
 &end
#
#  105 GLN  HN          107 ALA  HN          5.50    (#    707:15  Unique         4.07, 4.15 A)
 &rst
  ixpk= 707, nxpk= 15, iat=1597,1626, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:708    107 ALA  HN          3.50    (#    708:15  Single Ambig)
 &rst
  ixpk= 708, nxpk= 15, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1614,1646,
 &end
#
#  108 ALA  HN          107 ALA  HN          3.50    (#    709:15  Unique         2.64, 2.71 A)
 &rst
  ixpk= 709, nxpk= 15, iat=1636,1626, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  106 ASP  HA          107 ALA  HN          4.50    (#    710:15  Unique         3.55, 3.58 A)
 &rst
  ixpk= 710, nxpk= 15, iat=1616,1626, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  107 ALA  HA          107 ALA  HN          3.50    (#    711:15  Unique         2.87, 2.90 A)
 &rst
  ixpk= 711, nxpk= 15, iat=1628,1626, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:712    107 ALA  HN          4.50    (#    712:15  Single Ambig)
 &rst
  ixpk= 712, nxpk= 15, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1561,1638,1230,1231,
 &end
#
#  104 LEU  HA          107 ALA  HN          5.50    (#    713:15  Unique         3.22, 3.37 A)
 &rst
  ixpk= 713, nxpk= 15, iat=1580,1626, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106 ASP  HB+         107 ALA  HN          4.50    (#    714:15  Unique         2.59, 3.35 A)
 &rst
  ixpk= 714, nxpk= 15, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1618,1619,
 &end
#
#  106 ASP  HB-         107 ALA  HN          4.50    (#    715:15  Unique         2.59, 3.35 A)
 &rst
  ixpk= 715, nxpk= 15, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1618,1619,
 &end
#
#    0 AMB  15-2:716    107 ALA  HN          5.50    (#    716:15  Single Ambig)
 &rst
  ixpk= 716, nxpk= 15, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1601,1602,1582,1583,
 &end
#
#  105 GLN  HB-         107 ALA  HN          5.50    (#    717:15  Unique         5.00, 5.34 A)
 &rst
  ixpk= 717, nxpk= 15, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1601,1602,
 &end
#
#  107 ALA  MB          107 ALA  HN          2.50    (#    718:15  Unique         2.44, 2.87 A)
 &rst
  ixpk= 718, nxpk= 15, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=1630,1631,1632,
 &end
#
#   80 ILE  MG2         107 ALA  HN          5.50    (#    719:15  Unique         3.98, 4.67 A)
 &rst
  ixpk= 719, nxpk= 15, iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1215,1216,1217,
 &end
#
#   16 GLU  HG-          17 LEU  HN          5.50    (#    721:15  Unique         3.66, 4.46 A)
 &rst
  ixpk= 721, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 249, 250,
 &end
#
#   18 ALA  HN           17 LEU  HN          4.50    (#    722:15  Unique         2.78, 2.81 A)
 &rst
  ixpk= 722, nxpk= 15, iat= 276, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 GLU  HN           17 LEU  HN          4.50    (#    723:15  Unique         2.73, 2.81 A)
 &rst
  ixpk= 723, nxpk= 15, iat= 242, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 PHE  HZ           17 LEU  HN          5.50    (#    724:15  Unique         4.27, 4.39 A)
 &rst
  ixpk= 724, nxpk= 15, iat= 392, 257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 SER  HN           17 LEU  HN          5.50    (#    725:15  Unique         4.02, 4.08 A)
 &rst
  ixpk= 725, nxpk= 15, iat= 286, 257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HA           17 LEU  HN          5.50    (#    727:15  Unique         3.73, 3.88 A)
 &rst
  ixpk= 727, nxpk= 15, iat= 190, 257, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:728     17 LEU  HN          3.50    (#    728:15  Single Ambig)
 &rst
  ixpk= 728, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 259, 212, 244,
 &end
#
#    0 AMB  15-2:729     17 LEU  HN          5.50    (#    729:15  Single Ambig)
 &rst
  ixpk= 729, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 222, 278,
 &end
#
#   16 GLU  HB+          17 LEU  HN          4.50    (#    730:15  Unique         2.36, 3.05 A)
 &rst
  ixpk= 730, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 246, 247,
 &end
#
#   16 GLU  HB-          17 LEU  HN          4.50    (#    731:15  Unique         2.36, 3.05 A)
 &rst
  ixpk= 731, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 246, 247,
 &end
#
#   17 LEU  MDY          17 LEU  HN          4.50    (#    732:15  Unique         3.49, 4.46 A)
 &rst
  ixpk= 732, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 266, 267, 268, 270, 271, 272,
 &end
#
#   13 LYS  HG-          17 LEU  HN          5.50    (#    733:15  Unique         3.89, 4.72 A)
 &rst
  ixpk= 733, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 195, 196,
 &end
#
#    0 AMB  15-2:734     17 LEU  HN          5.50    (#    734:15  Single Ambig)
 &rst
  ixpk= 734, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 224, 225, 214, 215, 216, 173, 174,
 &end
#
#   17 LEU  HB-          17 LEU  HN          4.50    (#    735:15  Unique         2.32, 2.97 A)
 &rst
  ixpk= 735, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#   17 LEU  HG           17 LEU  HN          4.50    (#    736:15  Unique         2.40, 2.47 A)
 &rst
  ixpk= 736, nxpk= 15, iat= 264, 257, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 LEU  MDX          17 LEU  HN          4.50    (#    737:15  Unique         3.49, 4.46 A)
 &rst
  ixpk= 737, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 266, 267, 268, 270, 271, 272,
 &end
#
#   51 VAL  MGX          17 LEU  HN          5.50    (#    738:15  Unique         5.70, 7.24 A)
 &rst
  ixpk= 738, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#   61 GLN  HB-          11 LEU  HN          7.00    (#    739:15  Unique         6.09, 6.87 A)
 &rst
  ixpk= 739, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 923, 924,
 &end
#
#    0 AMB  15-2:740    116 GLN  HN          3.50    (#    740:15  Single Ambig)
 &rst
  ixpk= 740, nxpk= 15, iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1742,1732,
 &end
#
#  116 GLN  QG          116 GLN  HN          5.50    (#    741:15  Unique         2.14, 3.67 A)
 &rst
  ixpk= 741, nxpk= 15, iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1747,1748,
 &end
#
#  116 GLN  HB+         116 GLN  HN          5.50    (#    742:15  Unique         2.48, 3.42 A)
 &rst
  ixpk= 742, nxpk= 15, iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1744,1745,
 &end
#
#  116 GLN  HB-         116 GLN  HN          4.50    (#    743:15  Unique         2.48, 3.42 A)
 &rst
  ixpk= 743, nxpk= 15, iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1744,1745,
 &end
#
#  115 ALA  MB          116 GLN  HN          4.50    (#    744:15  Unique         2.07, 3.84 A)
 &rst
  ixpk= 744, nxpk= 15, iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1734,1735,1736,
 &end
#
#  113 ASN  HB+         116 GLN  HN          5.50    (#    746:15  Unique         2.90, 4.96 A)
 &rst
  ixpk= 746, nxpk= 15, iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1706,1707,
 &end
#
#  106 ASP  HN          105 GLN  HN          4.50    (#    747:15  Unique         2.63, 2.70 A)
 &rst
  ixpk= 747, nxpk= 15, iat=1614,1597, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104 LEU  HN          105 GLN  HN          4.50    (#    748:15  Unique         2.67, 2.71 A)
 &rst
  ixpk= 748, nxpk= 15, iat=1578,1597, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:749    105 GLN  HN          5.50    (#    749:15  Single Ambig)
 &rst
  ixpk= 749, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1609,1610,1626,
 &end
#
#  102 PRO  HA          105 GLN  HN          4.50    (#    750:15  Unique         3.16, 3.48 A)
 &rst
  ixpk= 750, nxpk= 15, iat=1555,1597, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  105 GLN  HA          105 GLN  HN          3.50    (#    751:15  Unique         2.83, 2.86 A)
 &rst
  ixpk= 751, nxpk= 15, iat=1599,1597, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  106 ASP  HB+         105 GLN  HN          5.50    (#    752:15  Unique         4.67, 4.97 A)
 &rst
  ixpk= 752, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1618,1619,
 &end
#
#  105 GLN  HG-         105 GLN  HN          3.50    (#    753:15  Unique         2.27, 3.01 A)
 &rst
  ixpk= 753, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1604,1605,
 &end
#
#    0 AMB  15-2:754    105 GLN  HN          3.50    (#    754:15  Single Ambig)
 &rst
  ixpk= 754, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1601,1602,1582,1583,
 &end
#
#  105 GLN  HB-         105 GLN  HN          3.50    (#    755:15  Unique         2.30, 3.00 A)
 &rst
  ixpk= 755, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1601,1602,
 &end
#
#    0 AMB  15-2:756    105 GLN  HN          4.50    (#    756:15  Single Ambig)
 &rst
  ixpk= 756, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1=1533,1587,1588,1589,1591,1592,1593,1530,1531,1684,
      1685,1684,1685,
 &end
#
#  104 LEU  HB-         105 GLN  HN          4.50    (#    757:15  Unique         2.53, 3.10 A)
 &rst
  ixpk= 757, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1582,1583,
 &end
#
#    0 AMB  15-2:758    105 GLN  HN          5.50    (#    758:15  Single Ambig)
 &rst
  ixpk= 758, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1535,1536,1537,1539,1540,1541,1662,1663,1664,
 &end
#
#    0 AMB  15-2:759    105 GLN  HN          5.50    (#    759:15  Single Ambig)
 &rst
  ixpk= 759, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1766,1767,1768,1770,1771,1772,1568,1569,1570,1572,
      1573,1574,1568,1569,1570,1572,1573,1574,
 &end
#
#    0 AMB  15-2:760    105 GLN  HN          4.50    (#    760:15  Single Ambig)
 &rst
  ixpk= 760, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1585,1587,1588,1589,1591,1592,1593,
 &end
#
#    0 AMB  15-2:761    105 GLN  HN          5.50    (#    761:15  Single Ambig)
 &rst
  ixpk= 761, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1609,1610,1559,
 &end
#
#  104 LEU  HA          105 GLN  HN          5.50    (#    762:15  Unique         3.57, 3.60 A)
 &rst
  ixpk= 762, nxpk= 15, iat=1580,1597, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 GLY  HA+          63 GLN  HN          5.50    (#    764:15  Unique         3.76, 4.35 A)
 &rst
  ixpk= 764, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 903, 904,
 &end
#
#   62 LEU  HB+          63 GLN  HN          4.50    (#    765:15  Unique         2.43, 3.10 A)
 &rst
  ixpk= 765, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 940, 941,
 &end
#
#   62 LEU  MDX          63 GLN  HN          5.50    (#    766:15  Unique         3.95, 5.48 A)
 &rst
  ixpk= 766, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 945, 946, 947, 949, 950, 951,
 &end
#
#    0 AMB  15-2:767     63 GLN  HN          5.50    (#    767:15  Single Ambig)
 &rst
  ixpk= 767, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 926, 927, 893, 894,
 &end
#
#   61 GLN  HN           63 GLN  HN          5.50    (#    768:15  Unique         3.92, 4.04 A)
 &rst
  ixpk= 768, nxpk= 15, iat= 919, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 LYS  HA           11 LEU  HN          5.50    (#    772:15  Unique         5.35, 5.39 A)
 &rst
  ixpk= 772, nxpk= 15, iat= 168, 147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   10 ALA  HN           11 LEU  HN          3.50    (#    774:15  Unique         2.73, 2.77 A)
 &rst
  ixpk= 774, nxpk= 15, iat= 137, 147, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:775     11 LEU  HN          7.00    (#    775:15  Single Ambig)
 &rst
  ixpk= 775, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 220, 242,
 &end
#
#   13 LYS  HN           11 LEU  HN          5.50    (#    776:15  Unique         4.19, 4.28 A)
 &rst
  ixpk= 776, nxpk= 15, iat= 188, 147, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   12 LYS  HN           11 LEU  HN          4.50    (#    777:15  Unique         2.76, 2.82 A)
 &rst
  ixpk= 777, nxpk= 15, iat= 166, 147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 ASP  HA           11 LEU  HN          4.50    (#    778:15  Unique         3.11, 3.26 A)
 &rst
  ixpk= 778, nxpk= 15, iat= 117, 147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:779     11 LEU  HN          4.50    (#    779:15  Single Ambig)
 &rst
  ixpk= 779, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 139,  98, 985,
 &end
#
#   11 LEU  HA           11 LEU  HN          4.50    (#    780:15  Unique         2.84, 2.85 A)
 &rst
  ixpk= 780, nxpk= 15, iat= 149, 147, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 ASP  HB-          11 LEU  HN          5.50    (#    781:15  Unique         5.38, 5.50 A)
 &rst
  ixpk= 781, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 119, 120,
 &end
#
#    0 AMB  15-2:782     11 LEU  HN          4.50    (#    782:15  Single Ambig)
 &rst
  ixpk= 782, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 170, 171, 945, 946, 947, 949, 950, 951,
 &end
#
#   11 LEU  QB           11 LEU  HN          2.50    (#    783:15  Unique         2.27, 2.50 A)
 &rst
  ixpk= 783, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 151, 152,
 &end
#
#   10 ALA  MB           11 LEU  HN          3.50    (#    784:15  Unique         2.71, 3.53 A)
 &rst
  ixpk= 784, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 141, 142, 143,
 &end
#
#   11 LEU  MDX          11 LEU  HN          4.50    (#    785:15  Unique         4.34, 5.17 A)
 &rst
  ixpk= 785, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#    0 AMB  15-2:786     11 LEU  HN          4.50    (#    786:15  Single Ambig)
 &rst
  ixpk= 786, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 105, 106, 107, 109, 110, 111, 156, 157, 158, 160,
       161, 162,
 &end
#
#   12 LYS  HG-          11 LEU  HN          7.00    (#    787:15  Unique         4.84, 6.84 A)
 &rst
  ixpk= 787, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 173, 174,
 &end
#
#  113 ASN  HB-         116 GLN  HN          5.50    (#    789:15  Unique         2.90, 4.96 A)
 &rst
  ixpk= 789, nxpk= 15, iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1706,1707,
 &end
#
#   54 ASP  HN           56 LEU  HN          5.50    (#    790:15  Unique         3.85, 4.05 A)
 &rst
  ixpk= 790, nxpk= 15, iat= 832, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HA           56 LEU  HN          4.50    (#    791:15  Unique         3.23, 3.42 A)
 &rst
  ixpk= 791, nxpk= 15, iat= 846, 859, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  HA           56 LEU  HN          4.50    (#    792:15  Unique         2.80, 3.09 A)
 &rst
  ixpk= 792, nxpk= 15, iat= 815, 859, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 GLY  HA+          56 LEU  HN          5.50    (#    793:15  Unique         3.53, 4.20 A)
 &rst
  ixpk= 793, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 903, 904,
 &end
#
#    0 AMB  15-2:796     63 GLN  HN          5.50    (#    796:15  Single Ambig)
 &rst
  ixpk= 796, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 983,1012,
 &end
#
#   61 GLN  HN           63 GLN  HN          5.50    (#    797:15  Unique         3.92, 4.04 A)
 &rst
  ixpk= 797, nxpk= 15, iat= 919, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 SER  HN           63 GLN  HN          4.50    (#    798:15  Unique         2.69, 2.78 A)
 &rst
  ixpk= 798, nxpk= 15, iat= 972, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 SER  QB           63 GLN  HN          5.50    (#    799:15  Unique         5.30, 5.51 A)
 &rst
  ixpk= 799, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 912, 913,
 &end
#
#    0 AMB  15-2:800     63 GLN  HN          4.50    (#    800:15  Single Ambig)
 &rst
  ixpk= 800, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 938, 976, 977,
 &end
#
#    0 AMB  15-2:801     63 GLN  HN          4.50    (#    801:15  Single Ambig)
 &rst
  ixpk= 801, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 957, 910,
 &end
#
#   63 GLN  HB+          63 GLN  HN          3.50    (#    802:15  Unique         2.05, 2.52 A)
 &rst
  ixpk= 802, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 959, 960,
 &end
#
#    0 AMB  15-2:803     63 GLN  HN          5.50    (#    803:15  Single Ambig)
 &rst
  ixpk= 803, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 987, 988, 989,1016,1017,1018,
 &end
#
#   62 LEU  HB-          63 GLN  HN          4.50    (#    804:15  Unique         2.43, 3.10 A)
 &rst
  ixpk= 804, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 940, 941,
 &end
#
#   53 LEU  MDX          63 GLN  HN          4.50    (#    805:15  Unique         2.51, 4.59 A)
 &rst
  ixpk= 805, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   53 LEU  MDY          63 GLN  HN          4.50    (#    806:15  Unique         2.51, 4.59 A)
 &rst
  ixpk= 806, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   66 LEU  MDY          63 GLN  HN          5.50    (#    807:15  Unique         4.61, 7.16 A)
 &rst
  ixpk= 807, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   91 VAL  HN           92 VAL  HN          4.50    (#    808:15  Unique         2.69, 2.72 A)
 &rst
  ixpk= 808, nxpk= 15, iat=1351,1367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89 ASP  HA           92 VAL  HN          5.50    (#    809:15  Unique         3.53, 3.55 A)
 &rst
  ixpk= 809, nxpk= 15, iat=1327,1367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92 VAL  HA           92 VAL  HN          4.50    (#    810:15  Unique         2.86, 2.87 A)
 &rst
  ixpk= 810, nxpk= 15, iat=1369,1367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 VAL  HA           92 VAL  HN          5.50    (#    811:15  Unique         3.60, 3.61 A)
 &rst
  ixpk= 811, nxpk= 15, iat=1353,1367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92 VAL  HB           92 VAL  HN          4.50    (#    812:15  Unique         2.29, 2.49 A)
 &rst
  ixpk= 812, nxpk= 15, iat=1371,1367, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   92 VAL  MGY          92 VAL  HN          3.50    (#    813:15  Unique         2.21, 3.81 A)
 &rst
  ixpk= 813, nxpk= 15, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1373,1374,1375,1377,1378,1379,
 &end
#
#    0 AMB  15-2:814     92 VAL  HN          4.50    (#    814:15  Single Ambig)
 &rst
  ixpk= 814, nxpk= 15, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   40 LEU  MDX          92 VAL  HN          5.50    (#    815:15  Unique         3.53, 5.01 A)
 &rst
  ixpk= 815, nxpk= 15, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#  107 ALA  HN          109 ALA  HN          5.50    (#    817:15  Unique         3.69, 3.78 A)
 &rst
  ixpk= 817, nxpk= 15, iat=1626,1646, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  110 THR  HN          109 ALA  HN          3.50    (#    818:15  Unique         2.34, 2.50 A)
 &rst
  ixpk= 818, nxpk= 15, iat=1656,1646, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  109 ALA  HA          109 ALA  HN          3.50    (#    819:15  Unique         2.84, 2.90 A)
 &rst
  ixpk= 819, nxpk= 15, iat=1648,1646, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  104 LEU  HA          109 ALA  HN          5.50    (#    820:15  Unique         3.56, 3.62 A)
 &rst
  ixpk= 820, nxpk= 15, iat=1580,1646, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  109 ALA  MB          109 ALA  HN          3.50    (#    821:15  Unique         2.40, 2.87 A)
 &rst
  ixpk= 821, nxpk= 15, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1650,1651,1652,
 &end
#
#    0 AMB  15-2:822    109 ALA  HN          5.50    (#    822:15  Single Ambig)
 &rst
  ixpk= 822, nxpk= 15, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1587,1588,1589,1591,1592,1593,1585,
 &end
#
#    0 AMB  15-2:824     13 LYS  HN          5.50    (#    824:15  Single Ambig)
 &rst
  ixpk= 824, nxpk= 15, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 137, 127,
 &end
#
#   58 ASP  HN           56 LEU  HN          5.50    (#    825:15  Unique         5.02, 5.23 A)
 &rst
  ixpk= 825, nxpk= 15, iat= 889, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 GLY  HN           56 LEU  HN          5.50    (#    826:15  Unique         4.13, 4.42 A)
 &rst
  ixpk= 826, nxpk= 15, iat= 901, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HN           56 LEU  HN          3.50    (#    827:15  Unique         2.00, 2.24 A)
 &rst
  ixpk= 827, nxpk= 15, iat= 844, 859, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:828     56 LEU  HN          4.50    (#    828:15  Single Ambig)
 &rst
  ixpk= 828, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 861, 903, 904,
 &end
#
#   54 ASP  HA           56 LEU  HN          5.50    (#    829:15  Unique         3.93, 4.18 A)
 &rst
  ixpk= 829, nxpk= 15, iat= 834, 859, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:830     56 LEU  HN          4.50    (#    830:15  Single Ambig)
 &rst
  ixpk= 830, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 848, 849, 851, 852,
 &end
#
#   56 LEU  HG           56 LEU  HN          4.50    (#    831:15  Unique         2.35, 4.37 A)
 &rst
  ixpk= 831, nxpk= 15, iat= 866, 859, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HB+          56 LEU  HN          4.50    (#    832:15  Unique         2.41, 2.54 A)
 &rst
  ixpk= 832, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 863, 864,
 &end
#
#   56 LEU  HB-          56 LEU  HN          3.50    (#    833:15  Unique         2.41, 2.54 A)
 &rst
  ixpk= 833, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 863, 864,
 &end
#
#   53 LEU  MDX          56 LEU  HN          5.50    (#    834:15  Unique         4.51, 6.66 A)
 &rst
  ixpk= 834, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  15-2:835     56 LEU  HN          4.50    (#    835:15  Single Ambig)
 &rst
  ixpk= 835, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 868, 869, 870, 872, 873, 874, 822, 823, 824, 826,
       827, 828,
 &end
#
#    0 AMB  15-2:836     92 VAL  HN          5.50    (#    836:15  Single Ambig)
 &rst
  ixpk= 836, nxpk= 15, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1343,1344,1345,1511,1512,
 &end
#
#   90 THR  HN           92 VAL  HN          5.50    (#    837:15  Unique         4.15, 4.19 A)
 &rst
  ixpk= 837, nxpk= 15, iat=1337,1367, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 LEU  HG           92 VAL  HN          7.00    (#    838:15  Unique         6.17, 6.21 A)
 &rst
  ixpk= 838, nxpk= 15, iat= 617,1367, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#    0 AMB  15-2:840    109 ALA  HN          5.50    (#    840:15  Single Ambig)
 &rst
  ixpk= 840, nxpk= 15, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1587,1588,1589,1591,1592,1593,1585,
 &end
#
#  108 ALA  HN          109 ALA  HN          3.50    (#    841:15  Unique         2.70, 2.76 A)
 &rst
  ixpk= 841, nxpk= 15, iat=1636,1646, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  107 ALA  HN          109 ALA  HN          5.50    (#    842:15  Unique         3.69, 3.78 A)
 &rst
  ixpk= 842, nxpk= 15, iat=1626,1646, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  108 ALA  HA          109 ALA  HN          3.50    (#    844:15  Unique         2.85, 2.92 A)
 &rst
  ixpk= 844, nxpk= 15, iat=1638,1646, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  105 GLN  HA          109 ALA  HN          5.50    (#    845:15  Unique         3.55, 3.81 A)
 &rst
  ixpk= 845, nxpk= 15, iat=1599,1646, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 PRO  HB+         109 ALA  HN          5.50    (#    846:15  Unique         3.54, 4.27 A)
 &rst
  ixpk= 846, nxpk= 15, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 325, 326,
 &end
#
#    0 AMB  15-2:847    109 ALA  HN          5.50    (#    847:15  Single Ambig)
 &rst
  ixpk= 847, nxpk= 15, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 325, 326,1582,1583,
 &end
#
#  110 THR  MG2         109 ALA  HN          5.50    (#    848:15  Unique         4.20, 5.58 A)
 &rst
  ixpk= 848, nxpk= 15, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1662,1663,1664,
 &end
#
#   23 VAL  MGX         109 ALA  HN          5.50    (#    849:15  Unique         4.72, 6.87 A)
 &rst
  ixpk= 849, nxpk= 15, iat=  -1,1646, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#  105 GLN  HN          104 LEU  HN          4.50    (#    851:15  Unique         2.67, 2.71 A)
 &rst
  ixpk= 851, nxpk= 15, iat=1597,1578, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103 LEU  HN          104 LEU  HN          4.50    (#    852:15  Unique         2.65, 2.71 A)
 &rst
  ixpk= 852, nxpk= 15, iat=1559,1578, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:853    104 LEU  HN          4.50    (#    853:15  Single Ambig)
 &rst
  ixpk= 853, nxpk= 15, iat=  -1,1578, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1528,1561,
 &end
#
#    0 AMB  15-2:854    104 LEU  HN          3.50    (#    854:15  Single Ambig)
 &rst
  ixpk= 854, nxpk= 15, iat=  -1,1578, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1582,1583,1563,1564,
 &end
#
#  103 LEU  HB-         104 LEU  HN          3.50    (#    855:15  Unique         2.62, 3.31 A)
 &rst
  ixpk= 855, nxpk= 15, iat=  -1,1578, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1563,1564,
 &end
#
#    0 AMB  15-2:856    104 LEU  HN          5.50    (#    856:15  Single Ambig)
 &rst
  ixpk= 856, nxpk= 15, iat=  -1,1578, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1535,1536,1537,1539,1540,1541,1662,1663,1664,
 &end
#
#    0 AMB  15-2:857    104 LEU  HN          4.50    (#    857:15  Single Ambig)
 &rst
  ixpk= 857, nxpk= 15, iat=  -1,1578, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
      1573,1574,
 &end
#
#    0 AMB  15-2:858    104 LEU  HN          3.50    (#    858:15  Single Ambig)
 &rst
  ixpk= 858, nxpk= 15, iat=  -1,1578, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1585,1587,1588,1589,1591,1592,1593,
 &end
#
#  104 LEU  HA          104 LEU  HN          4.50    (#    859:15  Unique         2.86, 2.87 A)
 &rst
  ixpk= 859, nxpk= 15, iat=1580,1578, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:860    104 LEU  HN          5.50    (#    860:15  Single Ambig)
 &rst
  ixpk= 860, nxpk= 15, iat=  -1,1578, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1604,1605,1552,1553,
 &end
#
#  103 LEU  HG          104 LEU  HN          5.50    (#    861:15  Unique         3.51, 3.85 A)
 &rst
  ixpk= 861, nxpk= 15, iat=1566,1578, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:862    104 LEU  HN          3.50    (#    862:15  Single Ambig)
 &rst
  ixpk= 862, nxpk= 15, iat=  -1,1578, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1587,1588,1589,1591,1592,1593,1552,1553,1530,1531,
      
 &end
#
#   11 LEU  HN           13 LYS  HN          5.50    (#    863:15  Unique         4.19, 4.28 A)
 &rst
  ixpk= 863, nxpk= 15, iat= 147, 188, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:864      0 AMB  15-1:864    4.50    (#    864:15  Double Ambig)
 &rst
  ixpk= 864, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 508, 149,
 igr2= 555, 188,
 &end
#
#   38 LYS  HA           37 VAL  HN          5.50    (#    865:15  Unique         5.35, 5.41 A)
 &rst
  ixpk= 865, nxpk= 15, iat= 573, 555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:866     37 VAL  HN          5.50    (#    866:15  Single Ambig)
 &rst
  ixpk= 866, nxpk= 15, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 489, 490, 541, 542,
 &end
#
#   14 ALA  HN           13 LYS  HN          3.50    (#    867:15  Unique         2.76, 2.82 A)
 &rst
  ixpk= 867, nxpk= 15, iat= 210, 188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 LYS  HN           37 VAL  HN          4.50    (#    868:15  Unique         2.74, 2.81 A)
 &rst
  ixpk= 868, nxpk= 15, iat= 571, 555, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 LYS  HN           13 LYS  HN          3.50    (#    869:15  Unique         2.78, 2.82 A)
 &rst
  ixpk= 869, nxpk= 15, iat= 166, 188, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   33 TYR  HA           37 VAL  HN          5.50    (#    870:15  Unique         3.92, 4.03 A)
 &rst
  ixpk= 870, nxpk= 15, iat= 487, 555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   10 ALA  HA           13 LYS  HN          4.50    (#    871:15  Unique         3.12, 3.33 A)
 &rst
  ixpk= 871, nxpk= 15, iat= 139, 188, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:872      0 AMB  15-1:872    4.50    (#    872:15  Double Ambig)
 &rst
  ixpk= 872, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 168,1316,
 igr2= 188, 555,
 &end
#
#   37 VAL  HA           37 VAL  HN          4.50    (#    873:15  Unique         2.85, 2.86 A)
 &rst
  ixpk= 873, nxpk= 15, iat= 557, 555, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:874      0 AMB  15-1:874    5.50    (#    874:15  Double Ambig)
 &rst
  ixpk= 874, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 179, 180, 489, 490,
 igr2= 188, 555,
 &end
#
#    0 AMB  15-2:875     37 VAL  HN          5.50    (#    875:15  Single Ambig)
 &rst
  ixpk= 875, nxpk= 15, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1152,1153, 521, 522,
 &end
#
#    0 AMB  15-2:876     37 VAL  HN          3.50    (#    876:15  Single Ambig)
 &rst
  ixpk= 876, nxpk= 15, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 559, 535, 536,
 &end
#
#    0 AMB  15-2:877     13 LYS  HN          2.50    (#    877:15  Single Ambig)
 &rst
  ixpk= 877, nxpk= 15, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 192, 193, 170, 171,
 &end
#
#    0 AMB  15-2:878      0 AMB  15-1:878    4.50    (#    878:15  Double Ambig)
 &rst
  ixpk= 878, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 538, 539, 195, 196, 614, 615,
 igr2= 555, 188,
 &end
#
#    0 AMB  15-2:879     13 LYS  HN          4.50    (#    879:15  Single Ambig)
 &rst
  ixpk= 879, nxpk= 15, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 173, 174, 214, 215, 216, 141, 142, 143, 224, 225,
      
 &end
#
#    0 AMB  15-2:880     13 LYS  HN          4.50    (#    880:15  Single Ambig)
 &rst
  ixpk= 880, nxpk= 15, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 173, 174, 195, 196,
 &end
#
#   37 VAL  MGY          37 VAL  HN          3.50    (#    881:15  Unique         2.24, 3.86 A)
 &rst
  ixpk= 881, nxpk= 15, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#   37 VAL  MGX          37 VAL  HN          3.50    (#    882:15  Unique         2.24, 3.86 A)
 &rst
  ixpk= 882, nxpk= 15, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#   59 GLY  HN           58 ASP  HN          3.50    (#    884:15  Unique         2.24, 2.32 A)
 &rst
  ixpk= 884, nxpk= 15, iat= 901, 889, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 ASP  HA           58 ASP  HN          3.50    (#    885:15  Unique         2.96, 2.97 A)
 &rst
  ixpk= 885, nxpk= 15, iat= 891, 889, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 SER  HA           58 ASP  HN          4.50    (#    887:15  Unique         3.44, 3.50 A)
 &rst
  ixpk= 887, nxpk= 15, iat= 880, 889, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 SER  QB           58 ASP  HN          4.50    (#    888:15  Unique         2.96, 3.70 A)
 &rst
  ixpk= 888, nxpk= 15, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 882, 883,
 &end
#
#   59 GLY  HA+          58 ASP  HN          5.50    (#    889:15  Unique         3.71, 4.12 A)
 &rst
  ixpk= 889, nxpk= 15, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 903, 904,
 &end
#
#   58 ASP  HB-          58 ASP  HN          4.50    (#    890:15  Unique         2.67, 3.07 A)
 &rst
  ixpk= 890, nxpk= 15, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 893, 894,
 &end
#
#   58 ASP  HB+          58 ASP  HN          4.50    (#    891:15  Unique         2.67, 3.07 A)
 &rst
  ixpk= 891, nxpk= 15, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 893, 894,
 &end
#
#   56 LEU  HB+          58 ASP  HN          4.50    (#    892:15  Unique         2.66, 4.06 A)
 &rst
  ixpk= 892, nxpk= 15, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 863, 864,
 &end
#
#   56 LEU  HB-          58 ASP  HN          4.50    (#    893:15  Unique         2.66, 4.06 A)
 &rst
  ixpk= 893, nxpk= 15, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 863, 864,
 &end
#
#   56 LEU  MDX          58 ASP  HN          4.50    (#    894:15  Unique         1.87, 4.30 A)
 &rst
  ixpk= 894, nxpk= 15, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 868, 869, 870, 872, 873, 874,
 &end
#
#   56 LEU  HN           58 ASP  HN          5.50    (#    895:15  Unique         5.02, 5.23 A)
 &rst
  ixpk= 895, nxpk= 15, iat= 859, 889, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106 ASP  HA          108 ALA  HN          5.50    (#    896:15  Unique         3.50, 3.59 A)
 &rst
  ixpk= 896, nxpk= 15, iat=1616,1636, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  108 ALA  HA          108 ALA  HN          2.50    (#    897:15  Unique         2.20, 2.21 A)
 &rst
  ixpk= 897, nxpk= 15, iat=1638,1636, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  105 GLN  HA          108 ALA  HN          4.50    (#    898:15  Unique         3.13, 3.44 A)
 &rst
  ixpk= 898, nxpk= 15, iat=1599,1636, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:899    108 ALA  HN          3.50    (#    899:15  Single Ambig)
 &rst
  ixpk= 899, nxpk= 15, iat=  -1,1636, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1640,1641,1642,1630,1631,1632,
 &end
#
#    0 AMB  15-2:900    108 ALA  HN          3.50    (#    900:15  Single Ambig)
 &rst
  ixpk= 900, nxpk= 15, iat=  -1,1636, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1646,1614,
 &end
#
#  107 ALA  HN          108 ALA  HN          3.50    (#    901:15  Unique         2.64, 2.71 A)
 &rst
  ixpk= 901, nxpk= 15, iat=1626,1636, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  104 LEU  HA          108 ALA  HN          5.50    (#    902:15  Unique         4.69, 4.84 A)
 &rst
  ixpk= 902, nxpk= 15, iat=1580,1636, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  106 ASP  HB-         108 ALA  HN          5.50    (#    903:15  Unique         4.68, 5.05 A)
 &rst
  ixpk= 903, nxpk= 15, iat=  -1,1636, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1618,1619,
 &end
#
#    0 AMB  15-2:904    108 ALA  HN          5.50    (#    904:15  Single Ambig)
 &rst
  ixpk= 904, nxpk= 15, iat=  -1,1636, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 325, 326,1604,1605,
 &end
#
#    0 AMB  15-2:905    108 ALA  HN          5.50    (#    905:15  Single Ambig)
 &rst
  ixpk= 905, nxpk= 15, iat=  -1,1636, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1601,1602,1582,1583,
 &end
#
#   80 ILE  MG2         108 ALA  HN          5.50    (#    906:15  Unique         6.23, 6.63 A)
 &rst
  ixpk= 906, nxpk= 15, iat=  -1,1636, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1215,1216,1217,
 &end
#
#    0 AMB  15-2:907     66 LEU  HN          5.50    (#    907:15  Single Ambig)
 &rst
  ixpk= 907, nxpk= 15, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 959, 960, 820, 923, 924,
 &end
#
#   63 GLN  HA           66 LEU  HN          4.50    (#    908:15  Unique         3.09, 3.38 A)
 &rst
  ixpk= 908, nxpk= 15, iat= 957, 993, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LEU  HB+          66 LEU  HN          3.50    (#    909:15  Unique         2.07, 2.85 A)
 &rst
  ixpk= 909, nxpk= 15, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 997, 998,
 &end
#
#   66 LEU  HB-          66 LEU  HN          4.50    (#    910:15  Unique         2.07, 2.85 A)
 &rst
  ixpk= 910, nxpk= 15, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 997, 998,
 &end
#
#   68 HIS  HD2          68 HIS  HN          5.50    (#    912:15  Unique         4.16, 4.25 A)
 &rst
  ixpk= 912, nxpk= 15, iat=1035,1022, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 TRP  HN           68 HIS  HN          3.50    (#    913:15  Unique         2.74, 2.80 A)
 &rst
  ixpk= 913, nxpk= 15, iat=1039,1022, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 ALA  HN           68 HIS  HN          3.50    (#    914:15  Unique         2.75, 2.82 A)
 &rst
  ixpk= 914, nxpk= 15, iat=1012,1022, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:915     68 HIS  HN          3.50    (#    915:15  Single Ambig)
 &rst
  ixpk= 915, nxpk= 15, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1024, 974,
 &end
#
#    0 AMB  15-2:916     68 HIS  HN          5.50    (#    916:15  Single Ambig)
 &rst
  ixpk= 916, nxpk= 15, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 976, 977, 957,
 &end
#
#   67 ALA  HA           68 HIS  HN          4.50    (#    917:15  Unique         3.56, 3.57 A)
 &rst
  ixpk= 917, nxpk= 15, iat=1014,1022, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 HIS  HB+          68 HIS  HN          3.50    (#    918:15  Unique         2.06, 2.45 A)
 &rst
  ixpk= 918, nxpk= 15, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1026,1027,
 &end
#
#   67 ALA  MB           68 HIS  HN          3.50    (#    919:15  Unique         2.37, 3.28 A)
 &rst
  ixpk= 919, nxpk= 15, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1016,1017,1018,
 &end
#
#    7 LEU  MDX          68 HIS  HN          5.50    (#    921:15  Unique         3.87, 5.61 A)
 &rst
  ixpk= 921, nxpk= 15, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 105, 106, 107, 109, 110, 111,
 &end
#
#   48 TYR  HD           48 TYR  HN          3.50    (#    923:15  Unique         2.17, 3.82 A)
 &rst
  ixpk= 923, nxpk= 15, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 731, 740,
 &end
#
#    0 AMB  15-2:925     48 TYR  HN          5.50    (#    925:15  Single Ambig)
 &rst
  ixpk= 925, nxpk= 15, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 336, 322, 323,
 &end
#
#    0 AMB  15-2:926     48 TYR  HN          5.50    (#    926:15  Single Ambig)
 &rst
  ixpk= 926, nxpk= 15, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 706, 707, 708, 312, 313, 314,
 &end
#
#   23 VAL  MGX          48 TYR  HN          5.50    (#    927:15  Unique         5.01, 6.45 A)
 &rst
  ixpk= 927, nxpk= 15, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   41 LEU  MDY          48 TYR  HN          5.50    (#    928:15  Unique         4.89, 7.23 A)
 &rst
  ixpk= 928, nxpk= 15, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#   49 LYS  HN           48 TYR  HN          5.50    (#    929:15  Unique         4.32, 4.41 A)
 &rst
  ixpk= 929, nxpk= 15, iat= 744, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 SER  HN           48 TYR  HN          5.50    (#    930:15  Unique         3.53, 4.44 A)
 &rst
  ixpk= 930, nxpk= 15, iat= 712, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 TYR  HA           48 TYR  HN          4.50    (#    931:15  Unique         2.90, 2.93 A)
 &rst
  ixpk= 931, nxpk= 15, iat= 725, 723, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 SER  HA           48 TYR  HN          2.50    (#    932:15  Unique         2.26, 2.31 A)
 &rst
  ixpk= 932, nxpk= 15, iat= 714, 723, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#    0 AMB  15-2:933     48 TYR  HN          3.50    (#    933:15  Single Ambig)
 &rst
  ixpk= 933, nxpk= 15, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 716, 717, 716, 717,
 &end
#
#   48 TYR  HB+          48 TYR  HN          4.50    (#    934:15  Unique         2.65, 3.61 A)
 &rst
  ixpk= 934, nxpk= 15, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 727, 728,
 &end
#
#   48 TYR  HB-          48 TYR  HN          4.50    (#    935:15  Unique         2.65, 3.61 A)
 &rst
  ixpk= 935, nxpk= 15, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 727, 728,
 &end
#
#    0 AMB  15-2:937     48 TYR  HN          5.50    (#    937:15  Single Ambig)
 &rst
  ixpk= 937, nxpk= 15, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 633, 634, 338, 339, 340, 342, 343, 344,
 &end
#
#   14 ALA  HN           12 LYS  HN          5.50    (#    938:15  Unique         4.10, 4.19 A)
 &rst
  ixpk= 938, nxpk= 15, iat= 210, 166, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 TYR  HE           32 GLY  HN          5.50    (#    939:15  Unique         5.24, 6.99 A)
 &rst
  ixpk= 939, nxpk= 15, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 457, 462,
 &end
#
#   31 CYS  HB-          32 GLY  HN          5.50    (#    940:15  Unique         3.14, 3.79 A)
 &rst
  ixpk= 940, nxpk= 15, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 473, 472,
 &end
#
#   33 TYR  HN           32 GLY  HN          5.50    (#    941:15  Unique         2.63, 2.80 A)
 &rst
  ixpk= 941, nxpk= 15, iat= 485, 478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 CYS  HA           32 GLY  HN          3.50    (#    943:15  Unique         2.10, 2.15 A)
 &rst
  ixpk= 943, nxpk= 15, iat= 470, 478, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   32 GLY  QA           32 GLY  HN          3.50    (#    944:15  Unique         2.27, 2.55 A)
 &rst
  ixpk= 944, nxpk= 15, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 480, 481,
 &end
#
#   31 CYS  HB+          32 GLY  HN          4.50    (#    945:15  Unique         3.14, 3.79 A)
 &rst
  ixpk= 945, nxpk= 15, iat=  -1, 478, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 473, 472,
 &end
#
#   64 SER  HN           66 LEU  HN          5.50    (#    946:15  Unique         4.04, 4.30 A)
 &rst
  ixpk= 946, nxpk= 15, iat= 972, 993, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 ALA  HA           66 LEU  HN          5.50    (#    947:15  Unique         5.37, 5.42 A)
 &rst
  ixpk= 947, nxpk= 15, iat=1014, 993, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:948      0 AMB  15-1:948    2.50    (#    948:15  Double Ambig)
 &rst
  ixpk= 948, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1=1063, 983,1012,
 igr2=1039, 993,
 &end
#
#   66 LEU  HA            0 AMB  15-1:949    3.50    (#    949:15  Single Ambig)
 &rst
  ixpk= 949, nxpk= 15, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 993,1039,
 &end
#
#    0 AMB  15-2:950     66 LEU  HN          2.50    (#    950:15  Single Ambig)
 &rst
  ixpk= 950, nxpk= 15, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 987, 988, 989,1000,
 &end
#
#   66 LEU  MDX          66 LEU  HN          4.50    (#    951:15  Unique         2.63, 4.21 A)
 &rst
  ixpk= 951, nxpk= 15, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   66 LEU  MDY          66 LEU  HN          4.50    (#    952:15  Unique         2.63, 4.21 A)
 &rst
  ixpk= 952, nxpk= 15, iat=  -1, 993, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  15-2:953     88 CYS  HN          5.50    (#    953:15  Single Ambig)
 &rst
  ixpk= 953, nxpk= 15, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 561, 562, 563, 565, 566, 567,1357,1358,1359,1361,
      1362,1363,1357,1358,1359,1361,1362,1363,
 &end
#
#   87 GLY  HA+          88 CYS  HN          4.50    (#    955:15  Unique         2.34, 2.58 A)
 &rst
  ixpk= 955, nxpk= 15, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1309,1310,
 &end
#
#   88 CYS  HB+          88 CYS  HN          4.50    (#    956:15  Unique         2.33, 2.95 A)
 &rst
  ixpk= 956, nxpk= 15, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1318,1319,
 &end
#
#   88 CYS  HB-          88 CYS  HN          4.50    (#    957:15  Unique         2.33, 2.95 A)
 &rst
  ixpk= 957, nxpk= 15, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1318,1319,
 &end
#
#    0 AMB  15-2:958     88 CYS  HN          4.50    (#    958:15  Single Ambig)
 &rst
  ixpk= 958, nxpk= 15, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1149,1150,1152,1153,
 &end
#
#   37 VAL  MGY          88 CYS  HN          5.50    (#    959:15  Unique         3.80, 5.54 A)
 &rst
  ixpk= 959, nxpk= 15, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#   76 PRO  HD-          88 CYS  HN          5.50    (#    960:15  Unique         2.76, 3.90 A)
 &rst
  ixpk= 960, nxpk= 15, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1146,1147,
 &end
#
#    0 AMB  15-2:961     88 CYS  HN          5.50    (#    961:15  Single Ambig)
 &rst
  ixpk= 961, nxpk= 15, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1307,1337,
 &end
#
#    7 LEU  HN            5 GLN  HN          5.50    (#    962:15  Unique         4.01, 4.13 A)
 &rst
  ixpk= 962, nxpk= 15, iat=  96,  64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 SER  HA            5 GLN  HN          5.50    (#    963:15  Unique         3.75, 4.34 A)
 &rst
  ixpk= 963, nxpk= 15, iat=  33,  64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 LYS  HN            5 GLN  HN          5.50    (#    964:15  Unique         2.55, 2.83 A)
 &rst
  ixpk= 964, nxpk= 15, iat=  42,  64, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 GLU  HN            5 GLN  HN          4.50    (#    965:15  Unique         2.52, 2.66 A)
 &rst
  ixpk= 965, nxpk= 15, iat=  81,  64, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 GLN  HA            5 GLN  HN          3.50    (#    967:15  Unique         2.81, 2.87 A)
 &rst
  ixpk= 967, nxpk= 15, iat=  66,  64, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    5 GLN  QG            5 GLN  HN          4.50    (#    968:15  Unique         2.52, 4.45 A)
 &rst
  ixpk= 968, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  71,  72,
 &end
#
#    0 AMB  15-2:969      5 GLN  HN          5.50    (#    969:15  Single Ambig)
 &rst
  ixpk= 969, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  88,  89,  88,  89,
 &end
#
#    6 GLU  HB-           5 GLN  HN          5.50    (#    970:15  Unique         4.64, 5.47 A)
 &rst
  ixpk= 970, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  85,  86,
 &end
#
#    0 AMB  15-2:971      5 GLN  HN          2.50    (#    971:15  Single Ambig)
 &rst
  ixpk= 971, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=  68,  69,  68,  69,
 &end
#
#    4 LYS  HB-           5 GLN  HN          4.50    (#    972:15  Unique         2.68, 3.51 A)
 &rst
  ixpk= 972, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  46,  47,
 &end
#
#    0 AMB  15-2:973      5 GLN  HN          5.50    (#    973:15  Single Ambig)
 &rst
  ixpk= 973, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  52,  53, 100, 101,
 &end
#
#    4 LYS  HG+           5 GLN  HN          5.50    (#    974:15  Unique         2.69, 4.20 A)
 &rst
  ixpk= 974, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  49,  50,
 &end
#
#   33 TYR  HN           35 ASN  HN          5.50    (#    975:15  Unique         4.08, 4.25 A)
 &rst
  ixpk= 975, nxpk= 15, iat= 485, 517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 CYS  HN           35 ASN  HN          5.50    (#    976:15  Unique         2.50, 2.60 A)
 &rst
  ixpk= 976, nxpk= 15, iat= 506, 517, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 ARG  HN           35 ASN  HN          4.50    (#    977:15  Unique         2.81, 2.88 A)
 &rst
  ixpk= 977, nxpk= 15, iat= 531, 517, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 ASN  HA           35 ASN  HN          4.50    (#    979:15  Unique         2.82, 2.84 A)
 &rst
  ixpk= 979, nxpk= 15, iat= 519, 517, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 CYS  HB+          35 ASN  HN          5.50    (#    980:15  Unique         2.43, 3.09 A)
 &rst
  ixpk= 980, nxpk= 15, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 510, 511,
 &end
#
#   35 ASN  HB+          35 ASN  HN          4.50    (#    981:15  Unique         2.13, 2.58 A)
 &rst
  ixpk= 981, nxpk= 15, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 521, 522,
 &end
#
#    0 AMB  15-2:982     35 ASN  HN          4.50    (#    982:15  Single Ambig)
 &rst
  ixpk= 982, nxpk= 15, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 480, 481, 508,
 &end
#
#    0 AMB  15-2:983     12 LYS  HN          5.50    (#    983:15  Single Ambig)
 &rst
  ixpk= 983, nxpk= 15, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 220, 242,
 &end
#
#   11 LEU  MDX          12 LYS  HN          5.50    (#    984:15  Unique         2.90, 4.77 A)
 &rst
  ixpk= 984, nxpk= 15, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   11 LEU  HN           12 LYS  HN          3.50    (#    985:15  Unique         2.76, 2.82 A)
 &rst
  ixpk= 985, nxpk= 15, iat= 147, 166, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:986     12 LYS  HN          5.50    (#    986:15  Single Ambig)
 &rst
  ixpk= 986, nxpk= 15, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 137, 127,
 &end
#
#   13 LYS  HN           12 LYS  HN          4.50    (#    987:15  Unique         2.78, 2.82 A)
 &rst
  ixpk= 987, nxpk= 15, iat= 188, 166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 ASP  HA           12 LYS  HN          5.50    (#    988:15  Unique         3.88, 4.02 A)
 &rst
  ixpk= 988, nxpk= 15, iat= 117, 166, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 ALA  HA           12 LYS  HN          4.50    (#    989:15  Unique         3.21, 3.31 A)
 &rst
  ixpk= 989, nxpk= 15, iat= 129, 166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 LEU  HA           12 LYS  HN          4.50    (#    990:15  Unique         3.61, 3.62 A)
 &rst
  ixpk= 990, nxpk= 15, iat= 149, 166, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 LYS  HA           12 LYS  HN          3.50    (#    991:15  Unique         2.82, 2.84 A)
 &rst
  ixpk= 991, nxpk= 15, iat= 168, 166, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 LYS  QB           12 LYS  HN          2.50    (#    992:15  Unique         2.30, 2.62 A)
 &rst
  ixpk= 992, nxpk= 15, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 170, 171,
 &end
#
#   11 LEU  QB           12 LYS  HN          3.50    (#    993:15  Unique         2.44, 3.38 A)
 &rst
  ixpk= 993, nxpk= 15, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 151, 152,
 &end
#
#    0 AMB  15-2:994     12 LYS  HN          4.50    (#    994:15  Single Ambig)
 &rst
  ixpk= 994, nxpk= 15, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 173, 174, 154,
 &end
#
#   12 LYS  HG-          12 LYS  HN          4.50    (#    995:15  Unique         2.38, 4.14 A)
 &rst
  ixpk= 995, nxpk= 15, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 173, 174,
 &end
#
#   11 LEU  MDY          12 LYS  HN          5.50    (#    996:15  Unique         2.90, 4.77 A)
 &rst
  ixpk= 996, nxpk= 15, iat=  -1, 166, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   68 HIS  HN           69 TRP  HN          3.50    (#    998:15  Unique         2.74, 2.80 A)
 &rst
  ixpk= 998, nxpk= 15, iat=1022,1039, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 TRP  HD1          69 TRP  HN          5.50    (#    999:15  Unique         4.86, 4.91 A)
 &rst
  ixpk= 999, nxpk= 15, iat=1047,1039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 TRP  HE3          69 TRP  HN          5.50    (#   1000:15  Unique         4.51, 4.68 A)
 &rst
  ixpk= 1000, nxpk= 15, iat=1058,1039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1001    69 TRP  HN          5.50    (#   1001:15  Single Ambig)
 &rst
  ixpk= 1001, nxpk= 15, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1014,1110,1111,
 &end
#
#   71 GLY  HN           69 TRP  HN          5.50    (#   1002:15  Unique         3.88, 4.04 A)
 &rst
  ixpk= 1002, nxpk= 15, iat=1077,1039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 HIS  HD2          69 TRP  HN          5.50    (#   1003:15  Unique         2.71, 2.82 A)
 &rst
  ixpk= 1003, nxpk= 15, iat=1035,1039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 HIS  HA           69 TRP  HN          4.50    (#   1005:15  Unique         3.57, 3.59 A)
 &rst
  ixpk= 1005, nxpk= 15, iat=1024,1039, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1006    69 TRP  HN          2.50    (#   1006:15  Single Ambig)
 &rst
  ixpk= 1006, nxpk= 15, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1=1043,1044,1026,1027,
 &end
#
#    0 AMB  15-2:1007     0 AMB  15-1:1007   4.50    (#   1007:15  Double Ambig)
 &rst
  ixpk= 1007, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 156, 157, 158, 160, 161, 162,1568,1569,1570,1572,
      1573,1574,1568,1569,1570,1572,1573,1574,
 igr2=1039,1209,
 &end
#
#    0 AMB  15-2:1008     0 AMB  15-1:1008   4.50    (#   1008:15  Double Ambig)
 &rst
  ixpk= 1008, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 156, 157, 158, 160, 161, 162,1215,1216,1217, 105,
       106, 107, 109, 110, 111,
 igr2=1039,1209,
 &end
#
#   79 PHE  HB-          80 ILE  HN          5.50    (#   1009:15  Unique         2.86, 3.51 A)
 &rst
  ixpk= 1009, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#   81 GLY  HN           80 ILE  HN          5.50    (#   1010:15  Unique         4.22, 4.23 A)
 &rst
  ixpk= 1010, nxpk= 15, iat=1228,1209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 PHE  HN           80 ILE  HN          5.50    (#   1011:15  Unique         4.36, 4.38 A)
 &rst
  ixpk= 1011, nxpk= 15, iat=1189,1209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83 LYS  HN           80 ILE  HN          4.50    (#   1012:15  Unique         2.75, 2.81 A)
 &rst
  ixpk= 1012, nxpk= 15, iat=1242,1209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 PHE  HD           80 ILE  HN          5.50    (#   1013:15  Unique         4.18, 4.95 A)
 &rst
  ixpk= 1013, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1197,1205,
 &end
#
#   79 PHE  HA           80 ILE  HN          3.50    (#   1014:15  Unique         2.25, 2.26 A)
 &rst
  ixpk= 1014, nxpk= 15, iat=1191,1209, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   80 ILE  HA           80 ILE  HN          4.50    (#   1015:15  Unique         2.92, 2.94 A)
 &rst
  ixpk= 1015, nxpk= 15, iat=1211,1209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84 GLN  HA           80 ILE  HN          5.50    (#   1016:15  Unique         3.87, 4.05 A)
 &rst
  ixpk= 1016, nxpk= 15, iat=1266,1209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83 LYS  QB           80 ILE  HN          5.50    (#   1017:15  Unique         3.62, 4.74 A)
 &rst
  ixpk= 1017, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1246,1247,
 &end
#
#   85 ILE  HG1-         80 ILE  HN          4.50    (#   1018:15  Unique         2.27, 2.97 A)
 &rst
  ixpk= 1018, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1291,1292,
 &end
#
#   80 ILE  HB           80 ILE  HN          4.50    (#   1019:15  Unique         2.84, 2.87 A)
 &rst
  ixpk= 1019, nxpk= 15, iat=1213,1209, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   85 ILE  HG1+         80 ILE  HN          4.50    (#   1020:15  Unique         2.27, 2.97 A)
 &rst
  ixpk= 1020, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1291,1292,
 &end
#
#   85 ILE  MD1          80 ILE  HN          4.50    (#   1021:15  Unique         2.13, 3.76 A)
 &rst
  ixpk= 1021, nxpk= 15, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1294,1295,1296,
 &end
#
#    0 AMB  15-2:1023    88 CYS  HN          4.50    (#   1023:15  Single Ambig)
 &rst
  ixpk= 1023, nxpk= 15, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1309,1310,1146,1147,
 &end
#
#   35 ASN  HA           39 GLN  HN          5.50    (#   1024:15  Unique         3.84, 3.92 A)
 &rst
  ixpk= 1024, nxpk= 15, iat= 519, 593, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 LEU  HN           39 GLN  HN          4.50    (#   1025:15  Unique         2.71, 2.77 A)
 &rst
  ixpk= 1025, nxpk= 15, iat= 610, 593, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 GLN  HA           39 GLN  HN          4.50    (#   1026:15  Unique         2.84, 2.86 A)
 &rst
  ixpk= 1026, nxpk= 15, iat= 595, 593, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1027    39 GLN  HN          5.50    (#   1027:15  Single Ambig)
 &rst
  ixpk= 1027, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 584, 585, 521, 522,
 &end
#
#   39 GLN  HG+          39 GLN  HN          4.50    (#   1028:15  Unique         2.20, 3.06 A)
 &rst
  ixpk= 1028, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 600, 601,
 &end
#
#   39 GLN  HG-          39 GLN  HN          4.50    (#   1029:15  Unique         2.20, 3.06 A)
 &rst
  ixpk= 1029, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 600, 601,
 &end
#
#    0 AMB  15-2:1030    39 GLN  HN          2.50    (#   1030:15  Single Ambig)
 &rst
  ixpk= 1030, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 597, 598, 575, 576,
 &end
#
#   38 LYS  HB-          39 GLN  HN          4.50    (#   1031:15  Unique         2.41, 3.08 A)
 &rst
  ixpk= 1031, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 575, 576,
 &end
#
#    0 AMB  15-2:1032    39 GLN  HN          5.50    (#   1032:15  Single Ambig)
 &rst
  ixpk= 1032, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 555, 526, 527,
 &end
#
#   37 VAL  HA           39 GLN  HN          5.50    (#   1033:15  Unique         4.51, 4.59 A)
 &rst
  ixpk= 1033, nxpk= 15, iat= 557, 593, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 LYS  HA           39 GLN  HN          4.50    (#   1034:15  Unique         3.61, 3.63 A)
 &rst
  ixpk= 1034, nxpk= 15, iat= 573, 593, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 LYS  HD-          39 GLN  HN          5.50    (#   1035:15  Unique         4.64, 5.59 A)
 &rst
  ixpk= 1035, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 581, 582,
 &end
#
#    0 AMB  15-2:1036    39 GLN  HN          4.50    (#   1036:15  Single Ambig)
 &rst
  ixpk= 1036, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 581, 582, 614, 615, 538, 539,
 &end
#
#   38 LYS  HG+          39 GLN  HN          5.50    (#   1037:15  Unique         4.19, 4.84 A)
 &rst
  ixpk= 1037, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 578, 579,
 &end
#
#    0 AMB  15-2:1038    39 GLN  HN          5.50    (#   1038:15  Single Ambig)
 &rst
  ixpk= 1038, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 633, 634, 561, 562, 563, 565, 566, 567,
 &end
#
#    0 AMB  15-2:1039    47 SER  HN          4.50    (#   1039:15  Single Ambig)
 &rst
  ixpk= 1039, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 702,1646,
 &end
#
#  109 ALA  MB           47 SER  HN          4.50    (#   1040:15  Unique         2.53, 3.88 A)
 &rst
  ixpk= 1040, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1650,1651,1652,
 &end
#
#   46 ALA  MB           47 SER  HN          3.50    (#   1041:15  Unique         2.69, 3.69 A)
 &rst
  ixpk= 1041, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 706, 707, 708,
 &end
#
#    0 AMB  15-2:1042    47 SER  HN          5.50    (#   1042:15  Single Ambig)
 &rst
  ixpk= 1042, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 338, 339, 340, 342, 343, 344, 633, 634,
 &end
#
#  104 LEU  MDX          47 SER  HN          5.50    (#   1043:15  Unique         4.27, 6.25 A)
 &rst
  ixpk= 1043, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1587,1588,1589,1591,1592,1593,
 &end
#
#   48 TYR  HN           47 SER  HN          5.50    (#   1044:15  Unique         3.53, 4.44 A)
 &rst
  ixpk= 1044, nxpk= 15, iat= 723, 712, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 TYR  HD           47 SER  HN          5.50    (#   1045:15  Unique         4.29, 6.42 A)
 &rst
  ixpk= 1045, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 731, 740,
 &end
#
#    0 AMB  15-2:1046    47 SER  HN          2.50    (#   1046:15  Single Ambig)
 &rst
  ixpk= 1046, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 704, 714,
 &end
#
#    0 AMB  15-2:1047    47 SER  HN          4.50    (#   1047:15  Single Ambig)
 &rst
  ixpk= 1047, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1648,1658,
 &end
#
#    0 AMB  15-2:1048    47 SER  HN          3.50    (#   1048:15  Single Ambig)
 &rst
  ixpk= 1048, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 716, 717, 716, 717,
 &end
#
#  110 THR  MG2          47 SER  HN          5.50    (#   1049:15  Unique         3.71, 4.96 A)
 &rst
  ixpk= 1049, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1662,1663,1664,
 &end
#
#   23 VAL  MGX          47 SER  HN          5.50    (#   1050:15  Unique         4.10, 6.12 A)
 &rst
  ixpk= 1050, nxpk= 15, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   56 LEU  HB-          55 GLU  HN          5.50    (#   1052:15  Unique         4.02, 4.42 A)
 &rst
  ixpk= 1052, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 863, 864,
 &end
#
#   53 LEU  MDX          55 GLU  HN          5.50    (#   1053:15  Unique         5.42, 7.25 A)
 &rst
  ixpk= 1053, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   54 ASP  HB-          55 GLU  HN          5.50    (#   1054:15  Unique         2.98, 3.65 A)
 &rst
  ixpk= 1054, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 836, 837,
 &end
#
#    0 AMB  15-2:1055    55 GLU  HN          4.50    (#   1055:15  Single Ambig)
 &rst
  ixpk= 1055, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 802, 803, 863, 864, 817, 818,
 &end
#
#   53 LEU  HN           55 GLU  HN          5.50    (#   1056:15  Unique         4.25, 4.50 A)
 &rst
  ixpk= 1056, nxpk= 15, iat= 813, 844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 ASP  HN           55 GLU  HN          4.50    (#   1057:15  Unique         2.41, 2.74 A)
 &rst
  ixpk= 1057, nxpk= 15, iat= 832, 844, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HN           55 GLU  HN          3.50    (#   1058:15  Unique         2.00, 2.24 A)
 &rst
  ixpk= 1058, nxpk= 15, iat= 859, 844, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 ASP  HA           55 GLU  HN          5.50    (#   1059:15  Unique         3.48, 3.52 A)
 &rst
  ixpk= 1059, nxpk= 15, iat= 834, 844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HA           55 GLU  HN          4.50    (#   1060:15  Unique         2.92, 2.97 A)
 &rst
  ixpk= 1060, nxpk= 15, iat= 846, 844, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1061    55 GLU  HN          3.50    (#   1061:15  Single Ambig)
 &rst
  ixpk= 1061, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 848, 849, 851, 852,
 &end
#
#   55 GLU  HB-          55 GLU  HN          3.50    (#   1062:15  Unique         2.34, 2.92 A)
 &rst
  ixpk= 1062, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 848, 849,
 &end
#
#    0 AMB  15-2:1063    55 GLU  HN          5.50    (#   1063:15  Single Ambig)
 &rst
  ixpk= 1063, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 418, 419, 817, 818, 421, 422,
 &end
#
#   29 THR  MG2          55 GLU  HN          5.50    (#   1064:15  Unique         2.88, 4.12 A)
 &rst
  ixpk= 1064, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 439, 440, 441,
 &end
#
#    0 AMB  15-2:1065    55 GLU  HN          5.50    (#   1065:15  Single Ambig)
 &rst
  ixpk= 1065, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 868, 869, 870, 872, 873, 874, 822, 823, 824, 826,
       827, 828,
 &end
#
#    0 AMB  15-2:1066    55 GLU  HN          5.50    (#   1066:15  Single Ambig)
 &rst
  ixpk= 1066, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 861, 903, 904,
 &end
#
#   53 LEU  HA           55 GLU  HN          5.50    (#   1067:15  Unique         3.54, 3.85 A)
 &rst
  ixpk= 1067, nxpk= 15, iat= 815, 844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 ASP  HB+          55 GLU  HN          5.50    (#   1068:15  Unique         2.98, 3.65 A)
 &rst
  ixpk= 1068, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 836, 837,
 &end
#
#   56 LEU  HB-          55 GLU  HN          5.50    (#   1069:15  Unique         4.02, 4.42 A)
 &rst
  ixpk= 1069, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 863, 864,
 &end
#
#   37 VAL  HA           41 LEU  HN          5.50    (#   1070:15  Unique         3.82, 3.89 A)
 &rst
  ixpk= 1070, nxpk= 15, iat= 557, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 LEU  MDX          41 LEU  HN          5.50    (#   1071:15  Unique         3.19, 5.37 A)
 &rst
  ixpk= 1071, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   43 GLN  HN           41 LEU  HN          5.50    (#   1072:15  Unique         4.06, 4.19 A)
 &rst
  ixpk= 1072, nxpk= 15, iat= 662, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 THR  HN           41 LEU  HN          4.50    (#   1073:15  Unique         2.64, 2.69 A)
 &rst
  ixpk= 1073, nxpk= 15, iat= 648, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 LEU  HN           41 LEU  HN          4.50    (#   1074:15  Unique         2.72, 2.77 A)
 &rst
  ixpk= 1074, nxpk= 15, iat= 610, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1075    41 LEU  HN          5.50    (#   1075:15  Single Ambig)
 &rst
  ixpk= 1075, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 652, 650,
 &end
#
#   40 LEU  HA           41 LEU  HN          4.50    (#   1076:15  Unique         3.57, 3.58 A)
 &rst
  ixpk= 1076, nxpk= 15, iat= 612, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 LEU  HA           41 LEU  HN          4.50    (#   1077:15  Unique         2.85, 2.87 A)
 &rst
  ixpk= 1077, nxpk= 15, iat= 631, 629, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 LYS  HA           41 LEU  HN          5.50    (#   1078:15  Unique         3.66, 3.78 A)
 &rst
  ixpk= 1078, nxpk= 15, iat= 573, 629, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1079    41 LEU  HN          5.50    (#   1079:15  Single Ambig)
 &rst
  ixpk= 1079, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 666, 667, 600, 601,
 &end
#
#    0 AMB  15-2:1080    41 LEU  HN          2.50    (#   1080:15  Single Ambig)
 &rst
  ixpk= 1080, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 614, 615, 636,
 &end
#
#   41 LEU  HB+          41 LEU  HN          4.50    (#   1081:15  Unique         2.15, 2.93 A)
 &rst
  ixpk= 1081, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 633, 634,
 &end
#
#   37 VAL  MGY          41 LEU  HN          5.50    (#   1082:15  Unique         4.32, 5.79 A)
 &rst
  ixpk= 1082, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#   41 LEU  HB-          41 LEU  HN          3.50    (#   1083:15  Unique         2.15, 2.93 A)
 &rst
  ixpk= 1083, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 633, 634,
 &end
#
#   41 LEU  MDX          41 LEU  HN          4.50    (#   1084:15  Unique         2.50, 4.28 A)
 &rst
  ixpk= 1084, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#   41 LEU  MDY          41 LEU  HN          4.50    (#   1085:15  Unique         2.50, 4.28 A)
 &rst
  ixpk= 1085, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  15-2:1086    41 LEU  HN          5.50    (#   1086:15  Single Ambig)
 &rst
  ixpk= 1086, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 733, 738, 731, 740,
 &end
#
#    0 AMB  15-2:1087    60 SER  HN          5.50    (#   1087:15  Single Ambig)
 &rst
  ixpk= 1087, nxpk= 15, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 936, 955,
 &end
#
#   61 GLN  HN           60 SER  HN          4.50    (#   1088:15  Unique         2.78, 2.93 A)
 &rst
  ixpk= 1088, nxpk= 15, iat= 919, 908, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 ASP  HA           60 SER  HN          5.50    (#   1089:15  Unique         3.72, 4.12 A)
 &rst
  ixpk= 1089, nxpk= 15, iat= 891, 908, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 SER  QB           60 SER  HN          4.50    (#   1090:15  Unique         2.66, 3.11 A)
 &rst
  ixpk= 1090, nxpk= 15, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 912, 913,
 &end
#
#   60 SER  HA           60 SER  HN          3.50    (#   1091:15  Unique         2.76, 2.78 A)
 &rst
  ixpk= 1091, nxpk= 15, iat= 910, 908, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 GLY  HA+          60 SER  HN          5.50    (#   1092:15  Unique         2.58, 3.19 A)
 &rst
  ixpk= 1092, nxpk= 15, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 903, 904,
 &end
#
#   59 GLY  HN           60 SER  HN          4.50    (#   1093:15  Unique         2.98, 3.18 A)
 &rst
  ixpk= 1093, nxpk= 15, iat= 901, 908, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 ASP  HA           60 SER  HN          5.50    (#   1095:15  Unique         5.51, 5.55 A)
 &rst
  ixpk= 1095, nxpk= 15, iat= 834, 908, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1096    60 SER  HN          5.50    (#   1096:15  Single Ambig)
 &rst
  ixpk= 1096, nxpk= 15, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 923, 924, 959, 960, 820,
 &end
#
#    0 AMB  15-2:1097    94 LYS  HN          5.50    (#   1097:15  Single Ambig)
 &rst
  ixpk= 1097, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1511,1512,1343,1344,1345,
 &end
#
#    0 AMB  15-2:1098    94 LYS  HN          5.50    (#   1098:15  Single Ambig)
 &rst
  ixpk= 1098, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1437,1492,
 &end
#
#   94 LYS  HA           94 LYS  HN          3.50    (#   1099:15  Unique         2.85, 2.87 A)
 &rst
  ixpk= 1099, nxpk= 15, iat=1400,1398, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   92 VAL  HA           94 LYS  HN          5.50    (#   1100:15  Unique         4.63, 4.70 A)
 &rst
  ixpk= 1100, nxpk= 15, iat=1369,1398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91 VAL  HA           94 LYS  HN          5.50    (#   1101:15  Unique         3.22, 3.28 A)
 &rst
  ixpk= 1101, nxpk= 15, iat=1353,1398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 HIS  HB+          94 LYS  HN          5.50    (#   1102:15  Unique         4.88, 5.15 A)
 &rst
  ixpk= 1102, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1424,1425,
 &end
#
#    0 AMB  15-2:1103    94 LYS  HN          5.50    (#   1103:15  Single Ambig)
 &rst
  ixpk= 1103, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1411,1412,1411,1412,
 &end
#
#   93 GLU  HG+          94 LYS  HN          5.50    (#   1104:15  Unique         3.29, 4.25 A)
 &rst
  ixpk= 1104, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1390,1391,
 &end
#
#    0 AMB  15-2:1105    94 LYS  HN          3.50    (#   1105:15  Single Ambig)
 &rst
  ixpk= 1105, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1387,1388,1402,1403,
 &end
#
#   99 GLU  HB-          94 LYS  HN          5.50    (#   1106:15  Unique         5.18, 6.05 A)
 &rst
  ixpk= 1106, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1496,1497,
 &end
#
#   94 LYS  QG           94 LYS  HN          3.50    (#   1107:15  Unique         2.25, 2.96 A)
 &rst
  ixpk= 1107, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1405,1406,
 &end
#
#   94 LYS  HB-          94 LYS  HN          4.50    (#   1108:15  Unique         2.40, 3.02 A)
 &rst
  ixpk= 1108, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1402,1403,
 &end
#
#   92 VAL  MGX          94 LYS  HN          5.50    (#   1109:15  Unique         5.28, 6.66 A)
 &rst
  ixpk= 1109, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1373,1374,1375,1377,1378,1379,
 &end
#
#    0 AMB  15-2:1110    94 LYS  HN          4.50    (#   1110:15  Single Ambig)
 &rst
  ixpk= 1110, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1516,1517,1518,1520,1521,1522,1357,1358,1359,1361,
      1362,1363,1357,1358,1359,1361,1362,1363,
 &end
#
#    0 AMB  15-2:1111    94 LYS  HN          5.50    (#   1111:15  Single Ambig)
 &rst
  ixpk= 1111, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 619, 620, 621, 623, 624, 625,1287,1288,1289,
 &end
#
#   95 HIS  HA           94 LYS  HN          5.50    (#   1112:15  Unique         5.33, 5.38 A)
 &rst
  ixpk= 1112, nxpk= 15, iat=1422,1398, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1113    94 LYS  HN          7.00    (#   1113:15  Single Ambig)
 &rst
  ixpk= 1113, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1509,1327,
 &end
#
#   95 HIS  HB-          94 LYS  HN          5.50    (#   1114:15  Unique         4.88, 5.15 A)
 &rst
  ixpk= 1114, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1424,1425,
 &end
#
#    0 AMB  15-2:1115    41 LEU  HN          5.50    (#   1115:15  Single Ambig)
 &rst
  ixpk= 1115, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 597, 598, 575, 576, 559,1355,
 &end
#
#   89 ASP  HN           90 THR  HN          4.50    (#   1117:15  Unique         2.78, 2.82 A)
 &rst
  ixpk= 1117, nxpk= 15, iat=1325,1337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 GLY  HA+          90 THR  HN          5.50    (#   1119:15  Unique         4.45, 5.18 A)
 &rst
  ixpk= 1119, nxpk= 15, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1302,1303,
 &end
#
#   89 ASP  HA           90 THR  HN          4.50    (#   1120:15  Unique         3.59, 3.59 A)
 &rst
  ixpk= 1120, nxpk= 15, iat=1327,1337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 THR  HA           90 THR  HN          4.50    (#   1121:15  Unique         2.82, 2.83 A)
 &rst
  ixpk= 1121, nxpk= 15, iat=1339,1337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 THR  HB           90 THR  HN          3.50    (#   1122:15  Unique         2.71, 2.75 A)
 &rst
  ixpk= 1122, nxpk= 15, iat=1341,1337, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   89 ASP  HB+          90 THR  HN          4.50    (#   1123:15  Unique         2.69, 3.42 A)
 &rst
  ixpk= 1123, nxpk= 15, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1329,1330,
 &end
#
#   89 ASP  HB-          90 THR  HN          4.50    (#   1124:15  Unique         2.69, 3.42 A)
 &rst
  ixpk= 1124, nxpk= 15, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1329,1330,
 &end
#
#    0 AMB  15-2:1125    90 THR  HN          5.50    (#   1125:15  Single Ambig)
 &rst
  ixpk= 1125, nxpk= 15, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1387,1388,1355,
 &end
#
#   90 THR  MG2          90 THR  HN          4.50    (#   1126:15  Unique         4.23, 4.46 A)
 &rst
  ixpk= 1126, nxpk= 15, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1343,1344,1345,
 &end
#
#    0 AMB  15-2:1127    90 THR  HN          5.50    (#   1127:15  Single Ambig)
 &rst
  ixpk= 1127, nxpk= 15, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1373,1374,1375,1377,1378,1379, 561, 562, 563, 565,
       566, 567,
 &end
#
#    0 AMB  15-2:1128    90 THR  HN          5.50    (#   1128:15  Single Ambig)
 &rst
  ixpk= 1128, nxpk= 15, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   88 CYS  HN           90 THR  HN          5.50    (#   1129:15  Unique         4.23, 4.27 A)
 &rst
  ixpk= 1129, nxpk= 15, iat=1314,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 GLN  HN           42 THR  HN          3.50    (#   1130:15  Unique         2.71, 2.80 A)
 &rst
  ixpk= 1130, nxpk= 15, iat= 662, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 LEU  HN           42 THR  HN          4.50    (#   1131:15  Unique         2.64, 2.69 A)
 &rst
  ixpk= 1131, nxpk= 15, iat= 629, 648, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1132    42 THR  HN          4.50    (#   1132:15  Single Ambig)
 &rst
  ixpk= 1132, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 610, 679,
 &end
#
#   48 TYR  HE           42 THR  HN          4.50    (#   1133:15  Unique         3.09, 4.72 A)
 &rst
  ixpk= 1133, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 733, 738,
 &end
#
#   42 THR  HB           42 THR  HN          3.50    (#   1135:15  Unique         2.45, 2.51 A)
 &rst
  ixpk= 1135, nxpk= 15, iat= 652, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   39 GLN  HA           42 THR  HN          4.50    (#   1136:15  Unique         3.22, 3.33 A)
 &rst
  ixpk= 1136, nxpk= 15, iat= 595, 648, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 LEU  HA           42 THR  HN          5.50    (#   1137:15  Unique         3.57, 3.59 A)
 &rst
  ixpk= 1137, nxpk= 15, iat= 631, 648, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 LYS  HA           42 THR  HN          5.50    (#   1138:15  Unique         3.97, 4.06 A)
 &rst
  ixpk= 1138, nxpk= 15, iat= 573, 648, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1139    42 THR  HN          5.50    (#   1139:15  Single Ambig)
 &rst
  ixpk= 1139, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 666, 667, 600, 601,
 &end
#
#    0 AMB  15-2:1140    42 THR  HN          5.50    (#   1140:15  Single Ambig)
 &rst
  ixpk= 1140, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 575, 576, 597, 598,
 &end
#
#    0 AMB  15-2:1141    42 THR  HN          4.50    (#   1141:15  Single Ambig)
 &rst
  ixpk= 1141, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 636, 614, 615,
 &end
#
#    0 AMB  15-2:1142    42 THR  HN          4.50    (#   1142:15  Single Ambig)
 &rst
  ixpk= 1142, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 654, 655, 656, 706, 707, 708, 619, 620, 621, 623,
       624, 625,
 &end
#
#   41 LEU  HB-          42 THR  HN          4.50    (#   1143:15  Unique         2.60, 3.15 A)
 &rst
  ixpk= 1143, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 633, 634,
 &end
#
#   41 LEU  MDX          42 THR  HN          5.50    (#   1144:15  Unique         4.83, 5.71 A)
 &rst
  ixpk= 1144, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#   41 LEU  MDY          42 THR  HN          5.50    (#   1145:15  Unique         4.83, 5.71 A)
 &rst
  ixpk= 1145, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  15-2:1146    42 THR  HN          5.50    (#   1146:15  Single Ambig)
 &rst
  ixpk= 1146, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 669, 670, 600, 601,
 &end
#
#   52 GLU  HB-          29 THR  HN          5.50    (#   1147:15  Unique         3.25, 4.34 A)
 &rst
  ixpk= 1147, nxpk= 15, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 802, 803,
 &end
#
#   28 LYS  HB-          29 THR  HN          5.50    (#   1148:15  Unique         2.08, 2.97 A)
 &rst
  ixpk= 1148, nxpk= 15, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 415, 416,
 &end
#
#   29 THR  HB           29 THR  HN          5.50    (#   1150:15  Unique         3.40, 3.43 A)
 &rst
  ixpk= 1150, nxpk= 15, iat= 437, 433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 THR  HA           29 THR  HN          5.50    (#   1151:15  Unique         2.77, 2.82 A)
 &rst
  ixpk= 1151, nxpk= 15, iat= 435, 433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 GLU  HB+          29 THR  HN          5.50    (#   1152:15  Unique         3.25, 4.34 A)
 &rst
  ixpk= 1152, nxpk= 15, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 802, 803,
 &end
#
#   29 THR  MG2          29 THR  HN          4.50    (#   1153:15  Unique         2.40, 3.32 A)
 &rst
  ixpk= 1153, nxpk= 15, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 439, 440, 441,
 &end
#
#   28 LYS  HA           29 THR  HN          4.50    (#   1154:15  Unique         2.34, 2.53 A)
 &rst
  ixpk= 1154, nxpk= 15, iat= 413, 433, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 THR  HN           89 ASP  HN          4.50    (#   1155:15  Unique         2.78, 2.82 A)
 &rst
  ixpk= 1155, nxpk= 15, iat=1337,1325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89 ASP  HA           89 ASP  HN          4.50    (#   1157:15  Unique         2.81, 2.82 A)
 &rst
  ixpk= 1157, nxpk= 15, iat=1327,1325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1158    89 ASP  HN          5.50    (#   1158:15  Single Ambig)
 &rst
  ixpk= 1158, nxpk= 15, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1146,1147,1339,
 &end
#
#   90 THR  HB           89 ASP  HN          5.50    (#   1159:15  Unique         5.24, 5.32 A)
 &rst
  ixpk= 1159, nxpk= 15, iat=1341,1325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 CYS  HA           89 ASP  HN          5.50    (#   1160:15  Unique         3.58, 3.59 A)
 &rst
  ixpk= 1160, nxpk= 15, iat=1316,1325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 CYS  HB+          89 ASP  HN          4.50    (#   1161:15  Unique         2.46, 3.48 A)
 &rst
  ixpk= 1161, nxpk= 15, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1318,1319,
 &end
#
#   89 ASP  HB+          89 ASP  HN          4.50    (#   1162:15  Unique         2.47, 2.51 A)
 &rst
  ixpk= 1162, nxpk= 15, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1329,1330,
 &end
#
#   89 ASP  HB-          89 ASP  HN          4.50    (#   1163:15  Unique         2.47, 2.51 A)
 &rst
  ixpk= 1163, nxpk= 15, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1329,1330,
 &end
#
#    0 AMB  15-2:1164    89 ASP  HN          7.00    (#   1164:15  Single Ambig)
 &rst
  ixpk= 1164, nxpk= 15, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 9.15, r4= 9.65,
 igr1=1371,1387,1388, 535, 536,
 &end
#
#    0 AMB  15-2:1165    89 ASP  HN          5.50    (#   1165:15  Single Ambig)
 &rst
  ixpk= 1165, nxpk= 15, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1373,1374,1375,1377,1378,1379, 561, 562, 563, 565,
       566, 567,
 &end
#
#   88 CYS  HN           89 ASP  HN          4.50    (#   1166:15  Unique         2.85, 2.93 A)
 &rst
  ixpk= 1166, nxpk= 15, iat=1314,1325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 VAL  HN           89 ASP  HN          5.50    (#   1167:15  Unique         4.44, 4.54 A)
 &rst
  ixpk= 1167, nxpk= 15, iat=1351,1325, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87 GLY  HA+          89 ASP  HN          5.50    (#   1168:15  Unique         3.68, 4.43 A)
 &rst
  ixpk= 1168, nxpk= 15, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1309,1310,
 &end
#
#    0 AMB  15-2:1169    89 ASP  HN          5.50    (#   1169:15  Single Ambig)
 &rst
  ixpk= 1169, nxpk= 15, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1309,1310,1146,1147,
 &end
#
#    0 AMB  15-2:1170    89 ASP  HN          5.50    (#   1170:15  Single Ambig)
 &rst
  ixpk= 1170, nxpk= 15, iat=  -1,1325, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363, 561, 562, 563, 565, 566, 567,
 &end
#
#   14 ALA  HN           15 LYS  HN          4.50    (#   1171:15  Unique         2.79, 2.86 A)
 &rst
  ixpk= 1171, nxpk= 15, iat= 210, 220, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 TRP  HH2          15 LYS  HN          5.50    (#   1172:15  Unique         4.34, 4.54 A)
 &rst
  ixpk= 1172, nxpk= 15, iat=1054, 220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   13 LYS  HA           15 LYS  HN          5.50    (#   1173:15  Unique         4.40, 4.50 A)
 &rst
  ixpk= 1173, nxpk= 15, iat= 190, 220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1174    15 LYS  HN          4.50    (#   1174:15  Single Ambig)
 &rst
  ixpk= 1174, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 212, 149,
 &end
#
#    0 AMB  15-2:1175    15 LYS  HN          3.50    (#   1175:15  Single Ambig)
 &rst
  ixpk= 1175, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 222, 168,
 &end
#
#    0 AMB  15-2:1176    15 LYS  HN          5.50    (#   1176:15  Single Ambig)
 &rst
  ixpk= 1176, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 246, 247, 249, 250,
 &end
#
#    0 AMB  15-2:1177    15 LYS  HN          5.50    (#   1177:15  Single Ambig)
 &rst
  ixpk= 1177, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 233, 234, 266, 267, 268, 270, 271, 272,
 &end
#
#    0 AMB  15-2:1178    15 LYS  HN          5.50    (#   1178:15  Single Ambig)
 &rst
  ixpk= 1178, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1= 192, 193, 170, 171, 945, 946, 947, 949, 950, 951,
      
 &end
#
#    0 AMB  15-2:1179    15 LYS  HN          5.50    (#   1179:15  Single Ambig)
 &rst
  ixpk= 1179, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 233, 234, 176, 177,
 &end
#
#    0 AMB  15-2:1180    15 LYS  HN          2.50    (#   1180:15  Single Ambig)
 &rst
  ixpk= 1180, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
 igr1= 224, 225, 214, 215, 216,
 &end
#
#   15 LYS  QD           15 LYS  HN          4.50    (#   1181:15  Unique         4.06, 4.53 A)
 &rst
  ixpk= 1181, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 230, 231,
 &end
#
#    0 AMB  15-2:1182    15 LYS  HN          5.50    (#   1182:15  Single Ambig)
 &rst
  ixpk= 1182, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 156, 157, 158, 160, 161, 162, 280, 281, 282,
 &end
#
#   11 LEU  MDY          15 LYS  HN          5.50    (#   1183:15  Unique         3.56, 5.85 A)
 &rst
  ixpk= 1183, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 156, 157, 158, 160, 161, 162,
 &end
#
#   15 LYS  HG-          15 LYS  HN          4.50    (#   1184:15  Unique         2.33, 3.10 A)
 &rst
  ixpk= 1184, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 227, 228,
 &end
#
#   15 LYS  HG+          15 LYS  HN          4.50    (#   1185:15  Unique         2.33, 3.10 A)
 &rst
  ixpk= 1185, nxpk= 15, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 227, 228,
 &end
#
#   96 GLN  HA           97 ARG  HN          5.50    (#   1186:15  Unique         3.55, 3.59 A)
 &rst
  ixpk= 1186, nxpk= 15, iat=1439,1454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96 GLN  HG+          97 ARG  HN          5.50    (#   1187:15  Unique         2.71, 4.65 A)
 &rst
  ixpk= 1187, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1444,1445,
 &end
#
#    0 AMB  15-2:1188    97 ARG  HN          4.50    (#   1188:15  Single Ambig)
 &rst
  ixpk= 1188, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1437,1492,
 &end
#
#    0 AMB  15-2:1189    97 ARG  HN          5.50    (#   1189:15  Single Ambig)
 &rst
  ixpk= 1189, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1420,1398,
 &end
#
#   98 ASN  HN           97 ARG  HN          4.50    (#   1190:15  Unique         2.69, 2.78 A)
 &rst
  ixpk= 1190, nxpk= 15, iat=1478,1454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   98 ASN  HA           97 ARG  HN          5.50    (#   1191:15  Unique         4.77, 4.84 A)
 &rst
  ixpk= 1191, nxpk= 15, iat=1480,1454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   97 ARG  HA           97 ARG  HN          4.50    (#   1192:15  Unique         2.88, 2.91 A)
 &rst
  ixpk= 1192, nxpk= 15, iat=1456,1454, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   94 LYS  HA           97 ARG  HN          5.50    (#   1193:15  Unique         3.17, 3.32 A)
 &rst
  ixpk= 1193, nxpk= 15, iat=1400,1454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96 GLN  HB+          97 ARG  HN          4.50    (#   1194:15  Unique         2.64, 3.30 A)
 &rst
  ixpk= 1194, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1441,1442,
 &end
#
#    0 AMB  15-2:1195    97 ARG  HN          3.50    (#   1195:15  Single Ambig)
 &rst
  ixpk= 1195, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1458,1459,1441,1442,
 &end
#
#   97 ARG  HG-          97 ARG  HN          4.50    (#   1196:15  Unique         2.34, 3.05 A)
 &rst
  ixpk= 1196, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1461,1462,
 &end
#
#    0 AMB  15-2:1197    97 ARG  HN          3.50    (#   1197:15  Single Ambig)
 &rst
  ixpk= 1197, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1458,1459,1461,1462,
 &end
#
#   97 ARG  QD           97 ARG  HN          5.50    (#   1198:15  Unique         3.51, 4.61 A)
 &rst
  ixpk= 1198, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1464,1465,
 &end
#
#   96 GLN  HG-          97 ARG  HN          5.50    (#   1199:15  Unique         2.71, 4.65 A)
 &rst
  ixpk= 1199, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1444,1445,
 &end
#
#   63 GLN  HN           64 SER  HN          3.50    (#   1200:15  Unique         2.69, 2.78 A)
 &rst
  ixpk= 1200, nxpk= 15, iat= 955, 972, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 ALA  HN           64 SER  HN          3.50    (#   1201:15  Unique         2.75, 2.80 A)
 &rst
  ixpk= 1201, nxpk= 15, iat= 983, 972, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 SER  HA           64 SER  HN          3.50    (#   1202:15  Unique         2.81, 2.84 A)
 &rst
  ixpk= 1202, nxpk= 15, iat= 974, 972, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 SER  HB+          64 SER  HN          3.50    (#   1203:15  Unique         2.54, 3.09 A)
 &rst
  ixpk= 1203, nxpk= 15, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 976, 977,
 &end
#
#   63 GLN  HB+          64 SER  HN          3.50    (#   1204:15  Unique         2.57, 3.26 A)
 &rst
  ixpk= 1204, nxpk= 15, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 959, 960,
 &end
#
#    0 AMB  15-2:1205    64 SER  HN          5.50    (#   1205:15  Single Ambig)
 &rst
  ixpk= 1205, nxpk= 15, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 997, 998, 940, 941,
 &end
#
#    0 AMB  15-2:1206    64 SER  HN          4.50    (#   1206:15  Single Ambig)
 &rst
  ixpk= 1206, nxpk= 15, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 987, 988, 989,1016,1017,1018,
 &end
#
#   66 LEU  HB-          64 SER  HN          5.50    (#   1207:15  Unique         4.75, 5.86 A)
 &rst
  ixpk= 1207, nxpk= 15, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 997, 998,
 &end
#
#    0 AMB  15-2:1208    64 SER  HN          5.50    (#   1208:15  Single Ambig)
 &rst
  ixpk= 1208, nxpk= 15, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 822, 823, 824, 826, 827, 828, 945, 946, 947, 949,
       950, 951,
 &end
#
#   66 LEU  HN           64 SER  HN          5.50    (#   1209:15  Unique         4.04, 4.30 A)
 &rst
  ixpk= 1209, nxpk= 15, iat= 993, 972, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 GLN  HN           64 SER  HN          5.50    (#   1210:15  Unique         4.51, 4.59 A)
 &rst
  ixpk= 1210, nxpk= 15, iat= 919, 972, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1212    64 SER  HN          7.00    (#   1212:15  Single Ambig)
 &rst
  ixpk= 1212, nxpk= 15, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
 igr1= 105, 106, 107, 109, 110, 111, 943,
 &end
#
#   18 ALA  HN           20 SER  HN          5.50    (#   1213:15  Unique         4.20, 4.24 A)
 &rst
  ixpk= 1213, nxpk= 15, iat= 276, 297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ALA  HN           20 SER  HN          4.50    (#   1214:15  Unique         2.64, 2.70 A)
 &rst
  ixpk= 1214, nxpk= 15, iat= 308, 297, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 SER  HN           20 SER  HN          3.50    (#   1215:15  Unique         2.01, 2.22 A)
 &rst
  ixpk= 1215, nxpk= 15, iat= 286, 297, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 SER  HA           20 SER  HN          4.50    (#   1218:15  Unique         3.22, 3.37 A)
 &rst
  ixpk= 1218, nxpk= 15, iat= 288, 297, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 SER  HA           20 SER  HN          4.50    (#   1219:15  Unique         2.81, 2.88 A)
 &rst
  ixpk= 1219, nxpk= 15, iat= 299, 297, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1220    20 SER  HN          4.50    (#   1220:15  Single Ambig)
 &rst
  ixpk= 1220, nxpk= 15, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 301, 302, 290, 291,
 &end
#
#   21 ALA  MB           20 SER  HN          5.50    (#   1221:15  Unique         4.82, 5.58 A)
 &rst
  ixpk= 1221, nxpk= 15, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 312, 313, 314,
 &end
#
#   24 VAL  MGY          20 SER  HN          3.50    (#   1222:15  Unique         2.86, 4.82 A)
 &rst
  ixpk= 1222, nxpk= 15, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   24 VAL  MGX          20 SER  HN          5.50    (#   1223:15  Unique         2.86, 4.82 A)
 &rst
  ixpk= 1223, nxpk= 15, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   18 ALA  HA           20 SER  HN          5.50    (#   1224:15  Unique         3.99, 4.13 A)
 &rst
  ixpk= 1224, nxpk= 15, iat= 278, 297, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  105 GLN  HN          103 LEU  HN          5.50    (#   1226:15  Unique         4.04, 4.15 A)
 &rst
  ixpk= 1226, nxpk= 15, iat=1597,1559, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104 LEU  HN          103 LEU  HN          3.50    (#   1227:15  Unique         2.65, 2.71 A)
 &rst
  ixpk= 1227, nxpk= 15, iat=1578,1559, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:1228   103 LEU  HN          4.50    (#   1228:15  Single Ambig)
 &rst
  ixpk= 1228, nxpk= 15, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1516,1517,1518,1520,1521,1522,1516,1517,1518,1520,
      1521,1522,1215,1216,1217,
 &end
#
#  102 PRO  HA          103 LEU  HN          4.50    (#   1229:15  Unique         3.61, 3.64 A)
 &rst
  ixpk= 1229, nxpk= 15, iat=1555,1559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  103 LEU  HA          103 LEU  HN          3.50    (#   1230:15  Unique         2.84, 2.86 A)
 &rst
  ixpk= 1230, nxpk= 15, iat=1561,1559, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  102 PRO  HD-         103 LEU  HN          5.50    (#   1231:15  Unique         3.04, 3.77 A)
 &rst
  ixpk= 1231, nxpk= 15, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1546,1547,
 &end
#
#  102 PRO  HD+         103 LEU  HN          4.50    (#   1232:15  Unique         3.04, 3.77 A)
 &rst
  ixpk= 1232, nxpk= 15, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1546,1547,
 &end
#
#  102 PRO  HB+         103 LEU  HN          4.50    (#   1233:15  Unique         2.45, 3.36 A)
 &rst
  ixpk= 1233, nxpk= 15, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1552,1553,
 &end
#
#    0 AMB  15-2:1234   103 LEU  HN          3.50    (#   1234:15  Single Ambig)
 &rst
  ixpk= 1234, nxpk= 15, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1563,1564,1549,1550,
 &end
#
#  102 PRO  HG+         103 LEU  HN          4.50    (#   1235:15  Unique         2.70, 4.40 A)
 &rst
  ixpk= 1235, nxpk= 15, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1549,1550,
 &end
#
#  102 PRO  HB-         103 LEU  HN          4.50    (#   1236:15  Unique         2.45, 3.36 A)
 &rst
  ixpk= 1236, nxpk= 15, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1552,1553,
 &end
#
#  103 LEU  HB-         103 LEU  HN          3.50    (#   1237:15  Unique         2.11, 2.48 A)
 &rst
  ixpk= 1237, nxpk= 15, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1563,1564,
 &end
#
#    0 AMB  15-2:1238   103 LEU  HN          3.50    (#   1238:15  Single Ambig)
 &rst
  ixpk= 1238, nxpk= 15, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1568,1569,1570,1572,1573,1574,1568,1569,1570,1572,
      1573,1574,1766,1767,1768,1770,1771,1772,
 &end
#
#    0 AMB  15-2:1239   103 LEU  HN          4.50    (#   1239:15  Single Ambig)
 &rst
  ixpk= 1239, nxpk= 15, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1585,1587,1588,1589,1591,1592,1593,1222,1223,1224,
      
 &end
#
#    0 AMB  15-2:1241    98 ASN  HN          5.50    (#   1241:15  Single Ambig)
 &rst
  ixpk= 1241, nxpk= 15, iat=  -1,1478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1420,1398,
 &end
#
#  100 LEU  HN           98 ASN  HN          5.50    (#   1242:15  Unique         4.02, 4.11 A)
 &rst
  ixpk= 1242, nxpk= 15, iat=1507,1478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   94 LYS  HA           98 ASN  HN          5.50    (#   1243:15  Unique         4.61, 4.77 A)
 &rst
  ixpk= 1243, nxpk= 15, iat=1400,1478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   97 ARG  HG-          98 ASN  HN          4.50    (#   1244:15  Unique         3.57, 4.99 A)
 &rst
  ixpk= 1244, nxpk= 15, iat=  -1,1478, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1461,1462,
 &end
#
#    0 AMB  15-2:1245    98 ASN  HN          5.50    (#   1245:15  Single Ambig)
 &rst
  ixpk= 1245, nxpk= 15, iat=  -1,1478, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1458,1459,1461,1462,
 &end
#
#   99 GLU  HN           98 ASN  HN          3.50    (#   1246:15  Unique         2.60, 2.74 A)
 &rst
  ixpk= 1246, nxpk= 15, iat=1492,1478, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   97 ARG  HN           98 ASN  HN          3.50    (#   1247:15  Unique         2.69, 2.78 A)
 &rst
  ixpk= 1247, nxpk= 15, iat=1454,1478, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   98 ASN  HA           98 ASN  HN          2.50    (#   1248:15  Unique         2.19, 2.21 A)
 &rst
  ixpk= 1248, nxpk= 15, iat=1480,1478, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   97 ARG  HA           98 ASN  HN          4.50    (#   1249:15  Unique         3.18, 3.31 A)
 &rst
  ixpk= 1249, nxpk= 15, iat=1456,1478, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   96 GLN  HA           98 ASN  HN          5.50    (#   1250:15  Unique         3.40, 3.62 A)
 &rst
  ixpk= 1250, nxpk= 15, iat=1439,1478, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98 ASN  HB+          98 ASN  HN          4.50    (#   1251:15  Unique         2.98, 3.36 A)
 &rst
  ixpk= 1251, nxpk= 15, iat=  -1,1478, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1482,1483,
 &end
#
#   98 ASN  HB-          98 ASN  HN          4.50    (#   1252:15  Unique         2.98, 3.36 A)
 &rst
  ixpk= 1252, nxpk= 15, iat=  -1,1478, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1482,1483,
 &end
#
#    0 AMB  15-2:1253    98 ASN  HN          4.50    (#   1253:15  Single Ambig)
 &rst
  ixpk= 1253, nxpk= 15, iat=  -1,1478, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1499,1500,1441,1442,
 &end
#
#    0 AMB  15-2:1254    98 ASN  HN          4.50    (#   1254:15  Single Ambig)
 &rst
  ixpk= 1254, nxpk= 15, iat=  -1,1478, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1458,1459,1496,1497,
 &end
#
#    0 AMB  15-2:1255    97 ARG  HE          7.00    (#   1255:15  Single Ambig)
 &rst
  ixpk= 1255, nxpk= 15, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1456,1494,
 &end
#
#   94 LYS  HA           97 ARG  HE          5.50    (#   1256:15  Unique         2.73, 3.85 A)
 &rst
  ixpk= 1256, nxpk= 15, iat=1400,1467, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1257    97 ARG  HE          4.50    (#   1257:15  Single Ambig)
 &rst
  ixpk= 1257, nxpk= 15, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1458,1459,1496,1497,
 &end
#
#   97 ARG  HG-          97 ARG  HE          5.50    (#   1258:15  Unique         2.29, 3.35 A)
 &rst
  ixpk= 1258, nxpk= 15, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1461,1462,
 &end
#
#    0 AMB  15-2:1259    97 ARG  HE          4.50    (#   1259:15  Single Ambig)
 &rst
  ixpk= 1259, nxpk= 15, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1461,1462,1458,1459,1405,1406,
 &end
#
#   97 ARG  QD           97 ARG  HE          3.50    (#   1261:15  Unique         2.28, 2.68 A)
 &rst
  ixpk= 1261, nxpk= 15, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1464,1465,
 &end
#
#   73 GLY  HA-          73 GLY  HN          5.50    (#   1262:15  Unique         2.26, 2.59 A)
 &rst
  ixpk= 1262, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1110,1111,
 &end
#
#   73 GLY  HA+          73 GLY  HN          5.50    (#   1263:15  Unique         2.26, 2.59 A)
 &rst
  ixpk= 1263, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1110,1111,
 &end
#
#   74 THR  HN           73 GLY  HN          5.50    (#   1264:15  Unique         2.50, 2.89 A)
 &rst
  ixpk= 1264, nxpk= 15, iat=1115,1108, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 ARG  HG+          73 GLY  HN          5.50    (#   1265:15  Unique         1.98, 4.24 A)
 &rst
  ixpk= 1265, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1091,1092,
 &end
#
#   72 ARG  HA           73 GLY  HN          4.50    (#   1266:15  Unique         2.27, 2.82 A)
 &rst
  ixpk= 1266, nxpk= 15, iat=1086,1108, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   98 ASN  HN           98 ASN  HD2+        5.50    (#   1268:15  Unique         3.68, 5.72 A)
 &rst
  ixpk= 1268, nxpk= 15, iat=1478,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1487,1488,
 &end
#
#   98 ASN  HB+          98 ASN  HD2+        4.50    (#   1270:15  Unique         2.28, 3.30 A)
 &rst
  ixpk= 1270, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1482,1483,
 igr2=1487,1488,
 &end
#
#   98 ASN  HB-          98 ASN  HD2+        4.50    (#   1271:15  Unique         2.28, 3.30 A)
 &rst
  ixpk= 1271, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1482,1483,
 igr2=1487,1488,
 &end
#
#   98 ASN  HA           98 ASN  HD2-        5.50    (#   1273:15  Unique         2.30, 4.25 A)
 &rst
  ixpk= 1273, nxpk= 15, iat=1480,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1487,1488,
 &end
#
#   98 ASN  HB+          98 ASN  HD2-        5.50    (#   1276:15  Unique         2.28, 3.30 A)
 &rst
  ixpk= 1276, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1482,1483,
 igr2=1487,1488,
 &end
#
#   98 ASN  HB-          98 ASN  HD2-        4.50    (#   1277:15  Unique         2.28, 3.30 A)
 &rst
  ixpk= 1277, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1482,1483,
 igr2=1487,1488,
 &end
#
#   98 ASN  HA           98 ASN  HD2+        5.50    (#   1278:15  Unique         2.30, 4.25 A)
 &rst
  ixpk= 1278, nxpk= 15, iat=1480,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1487,1488,
 &end
#
#  117 LEU  MDX         113 ASN  HD2+        5.50    (#   1279:15  Unique         2.72, 6.89 A)
 &rst
  ixpk= 1279, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1766,1767,1768,1770,1771,1772,
 igr2=1711,1712,
 &end
#
#  117 LEU  HA          113 ASN  HD2+        5.50    (#   1280:15  Unique         2.60, 4.81 A)
 &rst
  ixpk= 1280, nxpk= 15, iat=1759,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1711,1712,
 &end
#
#  113 ASN  HB-         113 ASN  HD2+        5.50    (#   1283:15  Unique         2.21, 3.25 A)
 &rst
  ixpk= 1283, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1706,1707,
 igr2=1711,1712,
 &end
#
#  113 ASN  HB+         113 ASN  HD2+        5.50    (#   1284:15  Unique         2.21, 3.25 A)
 &rst
  ixpk= 1284, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1706,1707,
 igr2=1711,1712,
 &end
#
#  113 ASN  HB+         113 ASN  HD2-        5.50    (#   1289:15  Unique         2.21, 3.25 A)
 &rst
  ixpk= 1289, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1706,1707,
 igr2=1711,1712,
 &end
#
#  113 ASN  HB-         113 ASN  HD2-        5.50    (#   1290:15  Unique         2.21, 3.25 A)
 &rst
  ixpk= 1290, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1706,1707,
 igr2=1711,1712,
 &end
#
#  101 LEU  HN           99 GLU  HN          5.50    (#   1294:15  Unique         3.48, 3.77 A)
 &rst
  ixpk= 1294, nxpk= 15, iat=1526,1492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   97 ARG  HN           99 GLU  HN          5.50    (#   1295:15  Unique         3.80, 3.92 A)
 &rst
  ixpk= 1295, nxpk= 15, iat=1454,1492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100 LEU  MDY          99 GLU  HN          5.50    (#   1296:15  Unique         6.29, 7.01 A)
 &rst
  ixpk= 1296, nxpk= 15, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1516,1517,1518,1520,1521,1522,
 &end
#
#   95 HIS  HN           99 GLU  HN          5.50    (#   1298:15  Unique         4.85, 4.93 A)
 &rst
  ixpk= 1298, nxpk= 15, iat=1420,1492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98 ASN  HN           99 GLU  HN          4.50    (#   1299:15  Unique         2.60, 2.74 A)
 &rst
  ixpk= 1299, nxpk= 15, iat=1478,1492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 LEU  HN           99 GLU  HN          3.50    (#   1300:15  Unique         1.89, 1.99 A)
 &rst
  ixpk= 1300, nxpk= 15, iat=1507,1492, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   98 ASN  HA           99 GLU  HN          4.50    (#   1301:15  Unique         2.56, 2.69 A)
 &rst
  ixpk= 1301, nxpk= 15, iat=1480,1492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   99 GLU  HA           99 GLU  HN          4.50    (#   1302:15  Unique         2.96, 2.98 A)
 &rst
  ixpk= 1302, nxpk= 15, iat=1494,1492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   94 LYS  HA           99 GLU  HN          5.50    (#   1303:15  Unique         3.44, 3.63 A)
 &rst
  ixpk= 1303, nxpk= 15, iat=1400,1492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   98 ASN  HB+          99 GLU  HN          5.50    (#   1304:15  Unique         4.29, 4.50 A)
 &rst
  ixpk= 1304, nxpk= 15, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1482,1483,
 &end
#
#   99 GLU  QG           99 GLU  HN          4.50    (#   1305:15  Unique         2.78, 4.42 A)
 &rst
  ixpk= 1305, nxpk= 15, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1499,1500,
 &end
#
#    0 AMB  15-2:1306    99 GLU  HN          4.50    (#   1306:15  Single Ambig)
 &rst
  ixpk= 1306, nxpk= 15, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1496,1497,1458,1459,
 &end
#
#   99 GLU  HB-          99 GLU  HN          4.50    (#   1307:15  Unique         2.29, 2.69 A)
 &rst
  ixpk= 1307, nxpk= 15, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1496,1497,
 &end
#
#   94 LYS  HB-          99 GLU  HN          5.50    (#   1308:15  Unique         3.78, 4.54 A)
 &rst
  ixpk= 1308, nxpk= 15, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1402,1403,
 &end
#
#  100 LEU  HB-          99 GLU  HN          5.50    (#   1309:15  Unique         3.92, 4.28 A)
 &rst
  ixpk= 1309, nxpk= 15, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1511,1512,
 &end
#
#   98 ASN  HB-          99 GLU  HN          5.50    (#   1310:15  Unique         4.29, 4.50 A)
 &rst
  ixpk= 1310, nxpk= 15, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1482,1483,
 &end
#
#    0 AMB  15-2:1311    99 GLU  HN          4.50    (#   1311:15  Single Ambig)
 &rst
  ixpk= 1311, nxpk= 15, iat=  -1,1492, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1458,1459,1461,1462,
 &end
#
#   24 VAL  HN           23 VAL  HN          5.50    (#   1313:15  Unique         4.21, 4.23 A)
 &rst
  ixpk= 1313, nxpk= 15, iat= 348, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HN           23 VAL  HN          5.50    (#   1314:15  Unique         3.69, 3.90 A)
 &rst
  ixpk= 1314, nxpk= 15, iat= 744, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 VAL  HA           23 VAL  HN          4.50    (#   1315:15  Unique         2.93, 2.93 A)
 &rst
  ixpk= 1315, nxpk= 15, iat= 334, 332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 PRO  HA           23 VAL  HN          4.50    (#   1316:15  Unique         3.48, 3.49 A)
 &rst
  ixpk= 1316, nxpk= 15, iat= 328, 332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1317    23 VAL  HN          4.50    (#   1317:15  Single Ambig)
 &rst
  ixpk= 1317, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 319, 320, 319, 320,
 &end
#
#    0 AMB  15-2:1318    23 VAL  HN          5.50    (#   1318:15  Single Ambig)
 &rst
  ixpk= 1318, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 727, 728,1193,1194,
 &end
#
#    0 AMB  15-2:1319    23 VAL  HN          4.50    (#   1319:15  Single Ambig)
 &rst
  ixpk= 1319, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 325, 326, 727, 728,
 &end
#
#    0 AMB  15-2:1320    23 VAL  HN          3.50    (#   1320:15  Single Ambig)
 &rst
  ixpk= 1320, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 322, 323, 336,
 &end
#
#   22 PRO  HG+          23 VAL  HN          4.50    (#   1321:15  Unique         2.78, 3.68 A)
 &rst
  ixpk= 1321, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 322, 323,
 &end
#
#    0 AMB  15-2:1322    23 VAL  HN          4.50    (#   1322:15  Single Ambig)
 &rst
  ixpk= 1322, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1650,1651,1652,1219,1220,1630,1631,1632,
 &end
#
#   21 ALA  MB           23 VAL  HN          3.50    (#   1323:15  Unique         2.69, 3.35 A)
 &rst
  ixpk= 1323, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 312, 313, 314,
 &end
#
#   80 ILE  HG1+         23 VAL  HN          5.50    (#   1324:15  Unique         5.36, 6.30 A)
 &rst
  ixpk= 1324, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1219,1220,
 &end
#
#   23 VAL  MGX          23 VAL  HN          3.50    (#   1325:15  Unique         3.09, 4.35 A)
 &rst
  ixpk= 1325, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   48 TYR  HA           23 VAL  HN          4.50    (#   1327:15  Unique         2.89, 3.04 A)
 &rst
  ixpk= 1327, nxpk= 15, iat= 725, 332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 ALA  HA           23 VAL  HN          5.50    (#   1328:15  Unique         4.12, 4.15 A)
 &rst
  ixpk= 1328, nxpk= 15, iat= 310, 332, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LYS  HB+          23 VAL  HN          5.50    (#   1329:15  Unique         4.67, 4.97 A)
 &rst
  ixpk= 1329, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 748, 749,
 &end
#
#   72 ARG  HD-          72 ARG  HE          5.50    (#   1330:15  Unique         2.29, 2.69 A)
 &rst
  ixpk= 1330, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1094,1095,
 &end
#
#   35 ASN  HB-          35 ASN  HD2+        4.50    (#   1332:15  Unique         2.24, 3.32 A)
 &rst
  ixpk= 1332, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 521, 522,
 igr2= 526, 527,
 &end
#
#   35 ASN  HN           35 ASN  HD2+        5.50    (#   1333:15  Unique         3.86, 5.10 A)
 &rst
  ixpk= 1333, nxpk= 15, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 526, 527,
 &end
#
#    0 AMB  15-2:1335    35 ASN  HD2-        4.50    (#   1335:15  Single Ambig)
 &rst
  ixpk= 1335, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 521, 522, 521, 522,
 igr2= 526, 527,
 &end
#
#   32 GLY  QA           35 ASN  HD2-        5.50    (#   1337:15  Unique         2.89, 5.02 A)
 &rst
  ixpk= 1337, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 480, 481,
 igr2= 526, 527,
 &end
#
#   32 GLY  QA           35 ASN  HD2+        4.50    (#   1338:15  Unique         2.89, 5.02 A)
 &rst
  ixpk= 1338, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 480, 481,
 igr2= 526, 527,
 &end
#
#    5 GLN  QG            5 GLN  HE2-        4.50    (#   1341:15  Unique         2.24, 3.38 A)
 &rst
  ixpk= 1341, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  71,  72,
 igr2=  76,  77,
 &end
#
#    9 ALA  MB            5 GLN  HE2-        5.50    (#   1342:15  Unique         2.42, 4.78 A)
 &rst
  ixpk= 1342, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 131, 132, 133,
 igr2=  76,  77,
 &end
#
#    5 GLN  QG            5 GLN  HE2+        5.50    (#   1345:15  Unique         2.24, 3.38 A)
 &rst
  ixpk= 1345, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  71,  72,
 igr2=  76,  77,
 &end
#
#   74 THR  HA           75 VAL  HN          3.50    (#   1346:15  Unique         2.19, 2.43 A)
 &rst
  ixpk= 1346, nxpk= 15, iat=1117,1129, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   75 VAL  HB           75 VAL  HN          5.50    (#   1347:15  Unique         3.60, 3.72 A)
 &rst
  ixpk= 1347, nxpk= 15, iat=1133,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1348    75 VAL  HN          5.50    (#   1348:15  Single Ambig)
 &rst
  ixpk= 1348, nxpk= 15, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 418, 419,1091,1092,
 &end
#
#   74 THR  MG2          75 VAL  HN          4.50    (#   1349:15  Unique         2.25, 4.21 A)
 &rst
  ixpk= 1349, nxpk= 15, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1121,1122,1123,
 &end
#
#    0 AMB  15-2:1350    75 VAL  HN          5.50    (#   1350:15  Single Ambig)
 &rst
  ixpk= 1350, nxpk= 15, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 967, 968,1097,
 &end
#
#    0 AMB  15-2:1351    75 VAL  HN          5.50    (#   1351:15  Single Ambig)
 &rst
  ixpk= 1351, nxpk= 15, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 967, 968,1115,
 &end
#
#   76 PRO  HA           75 VAL  HN          5.50    (#   1352:15  Unique         4.80, 4.87 A)
 &rst
  ixpk= 1352, nxpk= 15, iat=1155,1129, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1354    75 VAL  HN          3.50    (#   1354:15  Single Ambig)
 &rst
  ixpk= 1354, nxpk= 15, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1119,1131,
 &end
#
#   75 VAL  MGX          75 VAL  HN          3.50    (#   1355:15  Unique         1.99, 3.47 A)
 &rst
  ixpk= 1355, nxpk= 15, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1135,1136,1137,1139,1140,1141,
 &end
#
#   35 ASN  HN           35 ASN  HD2+        5.50    (#   1356:15  Unique         3.86, 5.10 A)
 &rst
  ixpk= 1356, nxpk= 15, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 526, 527,
 &end
#
#   52 GLU  HA           54 ASP  HN          5.50    (#   1357:15  Unique         3.56, 3.85 A)
 &rst
  ixpk= 1357, nxpk= 15, iat= 800, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 ASP  HA           54 ASP  HN          4.50    (#   1358:15  Unique         2.82, 2.85 A)
 &rst
  ixpk= 1358, nxpk= 15, iat= 834, 832, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  MDX          54 ASP  HN          5.50    (#   1359:15  Unique         4.78, 5.88 A)
 &rst
  ixpk= 1359, nxpk= 15, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#    0 AMB  15-2:1360    54 ASP  HN          4.50    (#   1360:15  Single Ambig)
 &rst
  ixpk= 1360, nxpk= 15, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 822, 823, 824, 826, 827, 828,1135,1136,1137,1139,
      1140,1141, 868, 869, 870, 872, 873, 874,
 &end
#
#   53 LEU  HN           54 ASP  HN          5.50    (#   1361:15  Unique         2.78, 2.98 A)
 &rst
  ixpk= 1361, nxpk= 15, iat= 813, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HN           54 ASP  HN          4.50    (#   1362:15  Unique         2.41, 2.74 A)
 &rst
  ixpk= 1362, nxpk= 15, iat= 844, 832, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 LEU  HN           54 ASP  HN          5.50    (#   1363:15  Unique         3.85, 4.05 A)
 &rst
  ixpk= 1363, nxpk= 15, iat= 859, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 LYS  HA           54 ASP  HN          4.50    (#   1364:15  Unique         2.34, 2.64 A)
 &rst
  ixpk= 1364, nxpk= 15, iat= 413, 832, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 ASP  HB+          54 ASP  HN          4.50    (#   1365:15  Unique         2.32, 2.52 A)
 &rst
  ixpk= 1365, nxpk= 15, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 836, 837,
 &end
#
#   28 LYS  HE-          54 ASP  HN          5.50    (#   1366:15  Unique         3.39, 5.07 A)
 &rst
  ixpk= 1366, nxpk= 15, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 424, 425,
 &end
#
#   54 ASP  HB-          54 ASP  HN          4.50    (#   1367:15  Unique         2.32, 2.52 A)
 &rst
  ixpk= 1367, nxpk= 15, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 836, 837,
 &end
#
#    0 AMB  15-2:1368    54 ASP  HN          4.50    (#   1368:15  Single Ambig)
 &rst
  ixpk= 1368, nxpk= 15, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 851, 852, 848, 849, 820,
 &end
#
#    0 AMB  15-2:1369    54 ASP  HN          4.50    (#   1369:15  Single Ambig)
 &rst
  ixpk= 1369, nxpk= 15, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 802, 803, 848, 849,
 &end
#
#    0 AMB  15-2:1370    54 ASP  HN          4.50    (#   1370:15  Single Ambig)
 &rst
  ixpk= 1370, nxpk= 15, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 421, 422, 817, 818,
 &end
#
#   28 LYS  QG           54 ASP  HN          4.50    (#   1371:15  Unique         2.15, 3.53 A)
 &rst
  ixpk= 1371, nxpk= 15, iat=  -1, 832, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 418, 419,
 &end
#
#    0 AMB  15-2:1373     0 AMB  15-1:1373   5.50    (#   1373:15  Double Ambig)
 &rst
  ixpk= 1373, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1599,  83,
 igr2=1609,1610, 931, 932,
 &end
#
#    0 AMB  15-2:1375     0 AMB  15-1:1375   4.50    (#   1375:15  Double Ambig)
 &rst
  ixpk= 1375, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 926, 927, 893, 894,
 igr2= 931, 932, 931, 932,
 &end
#
#   58 ASP  HA           61 GLN  HE2+        5.50    (#   1376:15  Unique         3.97, 5.09 A)
 &rst
  ixpk= 1376, nxpk= 15, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 931, 932,
 &end
#
#    0 AMB  15-2:1377     0 AMB  15-1:1377   5.50    (#   1377:15  Double Ambig)
 &rst
  ixpk= 1377, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 923, 924,  85,  86,
 igr2= 931, 932, 931, 932,
 &end
#
#    0 AMB  15-2:1378     0 AMB  15-1:1378   5.50    (#   1378:15  Double Ambig)
 &rst
  ixpk= 1378, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 521, 522, 521, 522,
 igr2= 605, 606, 605, 606,
 &end
#
#   39 GLN  HG+          39 GLN  HE2+        4.50    (#   1379:15  Unique         2.23, 3.23 A)
 &rst
  ixpk= 1379, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 600, 601,
 igr2= 605, 606,
 &end
#
#    0 AMB  15-2:1382    61 GLN  HE2-        5.50    (#   1382:15  Single Ambig)
 &rst
  ixpk= 1382, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 926, 927, 893, 894,
 igr2= 931, 932,
 &end
#
#   61 GLN  HG+          61 GLN  HE2-        5.50    (#   1383:15  Unique         2.23, 3.47 A)
 &rst
  ixpk= 1383, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 926, 927,
 igr2= 931, 932,
 &end
#
#    0 AMB  15-2:1384    61 GLN  HE2-        5.50    (#   1384:15  Single Ambig)
 &rst
  ixpk= 1384, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 923, 924,  88,  89,
 igr2= 931, 932,
 &end
#
#   58 ASP  HA           61 GLN  HE2-        5.50    (#   1385:15  Unique         3.97, 5.09 A)
 &rst
  ixpk= 1385, nxpk= 15, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 931, 932,
 &end
#
#   58 ASP  HB-          61 GLN  HE2-        5.50    (#   1386:15  Unique         2.25, 5.01 A)
 &rst
  ixpk= 1386, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 893, 894,
 igr2= 931, 932,
 &end
#
#   61 GLN  HB-          61 GLN  HE2-        5.50    (#   1387:15  Unique         2.33, 3.59 A)
 &rst
  ixpk= 1387, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 923, 924,
 igr2= 931, 932,
 &end
#
#   39 GLN  HG+          39 GLN  HE2-        5.50    (#   1388:15  Unique         2.23, 3.23 A)
 &rst
  ixpk= 1388, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 600, 601,
 igr2= 605, 606,
 &end
#
#    0 AMB  15-2:1389     0 AMB  15-1:1389   4.50    (#   1389:15  Double Ambig)
 &rst
  ixpk= 1389, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 600, 601,1441,1442,
 igr2= 605, 606,1449,1450,
 &end
#
#   53 LEU  HA           54 ASP  HN          5.50    (#   1390:15  Unique         3.41, 3.54 A)
 &rst
  ixpk= 1390, nxpk= 15, iat= 815, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 TRP  HN           71 GLY  HN          5.50    (#   1391:15  Unique         3.88, 4.04 A)
 &rst
  ixpk= 1391, nxpk= 15, iat=1039,1077, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 THR  HN           71 GLY  HN          3.50    (#   1392:15  Unique         2.12, 2.37 A)
 &rst
  ixpk= 1392, nxpk= 15, iat=1063,1077, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   71 GLY  HA+          71 GLY  HN          3.50    (#   1393:15  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1393, nxpk= 15, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1079,1080,
 &end
#
#   70 THR  HA           71 GLY  HN          4.50    (#   1394:15  Unique         3.46, 3.49 A)
 &rst
  ixpk= 1394, nxpk= 15, iat=1065,1077, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 GLY  HA-          71 GLY  HN          3.50    (#   1395:15  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1395, nxpk= 15, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1079,1080,
 &end
#
#    0 AMB  15-2:1396    71 GLY  HN          5.50    (#   1396:15  Single Ambig)
 &rst
  ixpk= 1396, nxpk= 15, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1043,1044,1026,1027,
 &end
#
#    0 AMB  15-2:1397    71 GLY  HN          4.50    (#   1397:15  Single Ambig)
 &rst
  ixpk= 1397, nxpk= 15, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1091,1092,1016,1017,1018,1088,1089,
 &end
#
#   70 THR  MG2          71 GLY  HN          4.50    (#   1398:15  Unique         4.50, 5.09 A)
 &rst
  ixpk= 1398, nxpk= 15, iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1069,1070,1071,
 &end
#
#    0 AMB  15-2:1399     0 AMB  15-1:1399   5.50    (#   1399:15  Double Ambig)
 &rst
  ixpk= 1399, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1= 923, 924,  88,  89,
 igr2= 931, 932, 931, 932,
 &end
#
#  112 LYS  HN          105 GLN  HE2+        5.50    (#   1400:15  Unique         2.27, 4.96 A)
 &rst
  ixpk= 1400, nxpk= 15, iat=1680,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1609,1610,
 &end
#
#    0 AMB  15-2:1402     0 AMB  15-1:1402   3.50    (#   1402:15  Double Ambig)
 &rst
  ixpk= 1402, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1604,1605, 926, 927,
 igr2=1609,1610, 931, 932,
 &end
#
#    9 ALA  MB           61 GLN  HE2+        5.50    (#   1403:15  Unique         3.28, 7.13 A)
 &rst
  ixpk= 1403, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 131, 132, 133,
 igr2= 931, 932,
 &end
#
#   42 THR  HB           43 GLN  HE2+        5.50    (#   1406:15  Unique         2.53, 5.00 A)
 &rst
  ixpk= 1406, nxpk= 15, iat= 652,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 674, 675,
 &end
#
#    0 AMB  15-2:1407     0 AMB  15-1:1407   5.50    (#   1407:15  Double Ambig)
 &rst
  ixpk= 1407, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1=1385, 612, 533, 664,
 igr2=1449,1450, 674, 675, 605, 606, 674, 675,
 &end
#
#    0 AMB  15-2:1408     0 AMB  15-1:1408   5.50    (#   1408:15  Double Ambig)
 &rst
  ixpk= 1408, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1=1441,1442, 597, 598,1371,
 igr2=1449,1450, 605, 606, 674, 675,
 &end
#
#   96 GLN  HG-          96 GLN  HE2-        5.50    (#   1409:15  Unique         2.24, 3.30 A)
 &rst
  ixpk= 1409, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1444,1445,
 igr2=1449,1450,
 &end
#
#   92 VAL  MGX          96 GLN  HE2-        5.50    (#   1410:15  Unique         2.30, 5.93 A)
 &rst
  ixpk= 1410, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1373,1374,1375,1377,1378,1379,
 igr2=1449,1450,
 &end
#
#   96 GLN  HG+          96 GLN  HE2+        5.50    (#   1412:15  Unique         2.24, 3.30 A)
 &rst
  ixpk= 1412, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1444,1445,
 igr2=1449,1450,
 &end
#
#   92 VAL  MGX          96 GLN  HE2+        4.50    (#   1413:15  Unique         2.30, 5.93 A)
 &rst
  ixpk= 1413, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1373,1374,1375,1377,1378,1379,
 igr2=1449,1450,
 &end
#
#   96 GLN  HG-          96 GLN  HE2+        5.50    (#   1415:15  Unique         2.24, 3.30 A)
 &rst
  ixpk= 1415, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1444,1445,
 igr2=1449,1450,
 &end
#
#    0 AMB  15-2:1416     0 AMB  15-1:1416   5.50    (#   1416:15  Double Ambig)
 &rst
  ixpk= 1416, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1=1441,1442, 597, 598,1371,
 igr2=1449,1450, 605, 606,1449,1450,
 &end
#
#   72 ARG  HA           71 GLY  HN          5.50    (#   1419:15  Unique         5.10, 5.19 A)
 &rst
  ixpk= 1419, nxpk= 15, iat=1086,1077, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1421     0 AMB  15-1:1421   5.50    (#   1421:15  Double Ambig)
 &rst
  ixpk= 1421, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1=1682,1660,1672,1555,
 igr2=1609,1610,1609,1610,1609,1610,1609,1610,
 &end
#
#  105 GLN  HB-         105 GLN  HE2+        5.50    (#   1422:15  Unique         1.94, 4.08 A)
 &rst
  ixpk= 1422, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1601,1602,
 igr2=1609,1610,
 &end
#
#    0 AMB  15-2:1423     0 AMB  15-1:1423   5.50    (#   1423:15  Double Ambig)
 &rst
  ixpk= 1423, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.70, r4=10.20,
 igr1=1533,1684,1685,1684,1685,
 igr2=1609,1610,1609,1610,1609,1610,
 &end
#
#  101 LEU  MDY         105 GLN  HE2+        5.50    (#   1424:15  Unique         1.86, 5.65 A)
 &rst
  ixpk= 1424, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1535,1536,1537,1539,1540,1541,
 igr2=1609,1610,
 &end
#
#  101 LEU  MDX         105 GLN  HE2+        5.50    (#   1425:15  Unique         1.86, 5.65 A)
 &rst
  ixpk= 1425, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1535,1536,1537,1539,1540,1541,
 igr2=1609,1610,
 &end
#
#    0 AMB  15-2:1426     0 AMB  15-1:1426   5.50    (#   1426:15  Double Ambig)
 &rst
  ixpk= 1426, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 612, 664,
 igr2= 674, 675, 674, 675,
 &end
#
#   44 VAL  MGY          43 GLN  HE2+        5.50    (#   1427:15  Unique         5.66, 7.97 A)
 &rst
  ixpk= 1427, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 685, 686, 687, 689, 690, 691,
 igr2= 674, 675,
 &end
#
#   43 GLN  HG-          43 GLN  HE2+        4.50    (#   1428:15  Unique         2.26, 3.41 A)
 &rst
  ixpk= 1428, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 669, 670,
 igr2= 674, 675,
 &end
#
#    0 AMB  15-2:1429     0 AMB  15-1:1429   4.50    (#   1429:15  Double Ambig)
 &rst
  ixpk= 1429, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 669, 670,1441,1442,
 igr2= 674, 675,1449,1450,
 &end
#
#   40 LEU  MDX           0 AMB  15-1:1430   5.50    (#   1430:15  Single Ambig)
 &rst
  ixpk= 1430, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2= 674, 675,1449,1450,
 &end
#
#    0 AMB  15-2:1431   105 GLN  HE2-        5.50    (#   1431:15  Single Ambig)
 &rst
  ixpk= 1431, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1682,1660,1672,1555,
 igr2=1609,1610,
 &end
#
#  105 GLN  HG+         105 GLN  HE2-        4.50    (#   1433:15  Unique         2.19, 3.33 A)
 &rst
  ixpk= 1433, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1604,1605,
 igr2=1609,1610,
 &end
#
#  105 GLN  HB+         105 GLN  HE2-        5.50    (#   1434:15  Unique         1.94, 4.08 A)
 &rst
  ixpk= 1434, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1601,1602,
 igr2=1609,1610,
 &end
#
#  105 GLN  HB-         105 GLN  HE2-        5.50    (#   1435:15  Unique         1.94, 4.08 A)
 &rst
  ixpk= 1435, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1601,1602,
 igr2=1609,1610,
 &end
#
#    0 AMB  15-2:1436   105 GLN  HE2-        5.50    (#   1436:15  Single Ambig)
 &rst
  ixpk= 1436, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.07, r4= 8.57,
 igr1=1533,1684,1685,1684,1685,
 igr2=1609,1610,
 &end
#
#  101 LEU  MDY         105 GLN  HE2-        5.50    (#   1437:15  Unique         1.86, 5.65 A)
 &rst
  ixpk= 1437, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1535,1536,1537,1539,1540,1541,
 igr2=1609,1610,
 &end
#
#  101 LEU  MDX         105 GLN  HE2-        5.50    (#   1438:15  Unique         1.86, 5.65 A)
 &rst
  ixpk= 1438, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1535,1536,1537,1539,1540,1541,
 igr2=1609,1610,
 &end
#
#   43 GLN  HG-          43 GLN  HE2-        5.50    (#   1440:15  Unique         2.26, 3.41 A)
 &rst
  ixpk= 1440, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 669, 670,
 igr2= 674, 675,
 &end
#
#   43 GLN  HG+          43 GLN  HE2-        5.50    (#   1441:15  Unique         2.26, 3.41 A)
 &rst
  ixpk= 1441, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 669, 670,
 igr2= 674, 675,
 &end
#
#   40 LEU  MDX          43 GLN  HE2-        5.50    (#   1442:15  Unique         3.66, 6.44 A)
 &rst
  ixpk= 1442, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 619, 620, 621, 623, 624, 625,
 igr2= 674, 675,
 &end
#
#   42 THR  HN           44 VAL  HN          5.50    (#   1443:15  Unique         4.29, 4.46 A)
 &rst
  ixpk= 1443, nxpk= 15, iat= 648, 679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 VAL  HA           44 VAL  HN          3.50    (#   1444:15  Unique         2.86, 2.92 A)
 &rst
  ixpk= 1444, nxpk= 15, iat= 681, 679, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   41 LEU  HA           44 VAL  HN          5.50    (#   1445:15  Unique         3.49, 3.58 A)
 &rst
  ixpk= 1445, nxpk= 15, iat= 631, 679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 GLN  QB           44 VAL  HN          3.50    (#   1446:15  Unique         2.70, 3.28 A)
 &rst
  ixpk= 1446, nxpk= 15, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 666, 667,
 &end
#
#  101 LEU  MDX          44 VAL  HN          5.50    (#   1447:15  Unique         5.79, 7.49 A)
 &rst
  ixpk= 1447, nxpk= 15, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  15-2:1448    44 VAL  HN          2.50    (#   1448:15  Single Ambig)
 &rst
  ixpk= 1448, nxpk= 15, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 685, 686, 687, 689, 690, 691, 685, 686, 687, 689,
       690, 691,
 &end
#
#   43 GLN  HN           44 VAL  HN          4.50    (#   1449:15  Unique         2.76, 2.82 A)
 &rst
  ixpk= 1449, nxpk= 15, iat= 662, 679, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 ALA  HN           44 VAL  HN          5.50    (#   1450:15  Unique         3.37, 3.90 A)
 &rst
  ixpk= 1450, nxpk= 15, iat= 702, 679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1451    44 VAL  HN          4.50    (#   1451:15  Single Ambig)
 &rst
  ixpk= 1451, nxpk= 15, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 664, 612,
 &end
#
#    0 AMB  15-2:1452    44 VAL  HN          4.50    (#   1452:15  Single Ambig)
 &rst
  ixpk= 1452, nxpk= 15, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 619, 620, 621, 623, 624, 625, 706, 707, 708, 654,
       655, 656,
 &end
#
#  101 LEU  MDY          44 VAL  HN          5.50    (#   1453:15  Unique         5.79, 7.49 A)
 &rst
  ixpk= 1453, nxpk= 15, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1535,1536,1537,1539,1540,1541,
 &end
#
#   40 LEU  MDX          44 VAL  HN          5.50    (#   1454:15  Unique         4.72, 7.00 A)
 &rst
  ixpk= 1454, nxpk= 15, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   41 LEU  MDX          44 VAL  HN          5.50    (#   1455:15  Unique         5.28, 7.24 A)
 &rst
  ixpk= 1455, nxpk= 15, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#   63 GLN  HA           63 GLN  HE2+        5.50    (#   1456:15  Unique         2.40, 4.23 A)
 &rst
  ixpk= 1456, nxpk= 15, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 967, 968,
 &end
#
#   74 THR  HA           63 GLN  HE2+        5.50    (#   1459:15  Unique         2.84, 4.30 A)
 &rst
  ixpk= 1459, nxpk= 15, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 967, 968,
 &end
#
#   63 GLN  QG           63 GLN  HE2+        4.50    (#   1460:15  Unique         2.23, 3.26 A)
 &rst
  ixpk= 1460, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 962, 963,
 igr2= 967, 968,
 &end
#
#    0 AMB  15-2:1461     0 AMB  15-1:1461   4.50    (#   1461:15  Double Ambig)
 &rst
  ixpk= 1461, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 959, 960, 820,
 igr2= 967, 968, 967, 968,
 &end
#
#   67 ALA  MB           63 GLN  HE2+        5.50    (#   1462:15  Unique         2.69, 5.32 A)
 &rst
  ixpk= 1462, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1016,1017,1018,
 igr2= 967, 968,
 &end
#
#    0 AMB  15-2:1463     0 AMB  15-1:1463   5.50    (#   1463:15  Double Ambig)
 &rst
  ixpk= 1463, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.49, r4=10.99,
 igr1= 822, 823, 824, 826, 827, 828,1135,1136,1137,1139,
      1140,1141,
 igr2= 967, 968, 967, 968,
 &end
#
#   63 GLN  HA           63 GLN  HE2-        5.50    (#   1466:15  Unique         2.40, 4.23 A)
 &rst
  ixpk= 1466, nxpk= 15, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 967, 968,
 &end
#
#    0 AMB  15-2:1467    63 GLN  HE2-        5.50    (#   1467:15  Single Ambig)
 &rst
  ixpk= 1467, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 959, 960, 820,
 igr2= 967, 968,
 &end
#
#   67 ALA  MB           63 GLN  HE2-        5.50    (#   1468:15  Unique         2.69, 5.32 A)
 &rst
  ixpk= 1468, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1016,1017,1018,
 igr2= 967, 968,
 &end
#
#   74 THR  HA           63 GLN  HE2-        5.50    (#   1469:15  Unique         2.84, 4.30 A)
 &rst
  ixpk= 1469, nxpk= 15, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 967, 968,
 &end
#
#   63 GLN  QG           63 GLN  HE2-        5.50    (#   1470:15  Unique         2.23, 3.26 A)
 &rst
  ixpk= 1470, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 962, 963,
 igr2= 967, 968,
 &end
#
#   75 VAL  MGY          63 GLN  HE2-        5.50    (#   1471:15  Unique         2.78, 5.57 A)
 &rst
  ixpk= 1471, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1135,1136,1137,1139,1140,1141,
 igr2= 967, 968,
 &end
#
#  109 ALA  HN          110 THR  HN          3.50    (#   1472:15  Unique         2.34, 2.50 A)
 &rst
  ixpk= 1472, nxpk= 15, iat=1646,1656, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:1474   110 THR  HN          3.50    (#   1474:15  Single Ambig)
 &rst
  ixpk= 1474, nxpk= 15, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1658,1648,
 &end
#
#  105 GLN  HA          110 THR  HN          5.50    (#   1475:15  Unique         2.80, 3.16 A)
 &rst
  ixpk= 1475, nxpk= 15, iat=1599,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  104 LEU  HB+         110 THR  HN          5.50    (#   1476:15  Unique         2.66, 4.01 A)
 &rst
  ixpk= 1476, nxpk= 15, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1582,1583,
 &end
#
#  109 ALA  MB          110 THR  HN          3.50    (#   1477:15  Unique         2.39, 3.59 A)
 &rst
  ixpk= 1477, nxpk= 15, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1650,1651,1652,
 &end
#
#  104 LEU  HB-         110 THR  HN          5.50    (#   1478:15  Unique         2.66, 4.01 A)
 &rst
  ixpk= 1478, nxpk= 15, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1582,1583,
 &end
#
#  110 THR  MG2         110 THR  HN          4.50    (#   1479:15  Unique         2.49, 3.64 A)
 &rst
  ixpk= 1479, nxpk= 15, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1662,1663,1664,
 &end
#
#    0 AMB  15-2:1480   110 THR  HN          5.50    (#   1480:15  Single Ambig)
 &rst
  ixpk= 1480, nxpk= 15, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1535,1536,1537,1539,1540,1541, 338, 339, 340, 342,
       343, 344,
 &end
#
#   44 VAL  HB           45 GLY  HN          5.50    (#   1481:15  Unique         4.06, 4.31 A)
 &rst
  ixpk= 1481, nxpk= 15, iat= 683, 695, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 THR  HN           45 GLY  HN          5.50    (#   1482:15  Unique         4.67, 4.94 A)
 &rst
  ixpk= 1482, nxpk= 15, iat= 648, 695, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ALA  HN           45 GLY  HN          3.50    (#   1483:15  Unique         2.30, 2.56 A)
 &rst
  ixpk= 1483, nxpk= 15, iat= 702, 695, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   44 VAL  HA           45 GLY  HN          4.50    (#   1484:15  Unique         3.16, 3.38 A)
 &rst
  ixpk= 1484, nxpk= 15, iat= 681, 695, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 GLY  HA+          45 GLY  HN          3.50    (#   1485:15  Unique         2.26, 2.58 A)
 &rst
  ixpk= 1485, nxpk= 15, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 697, 698,
 &end
#
#   45 GLY  HA-          45 GLY  HN          2.50    (#   1486:15  Unique         2.26, 2.58 A)
 &rst
  ixpk= 1486, nxpk= 15, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 697, 698,
 &end
#
#   43 GLN  QB           45 GLY  HN          5.50    (#   1487:15  Unique         4.79, 5.06 A)
 &rst
  ixpk= 1487, nxpk= 15, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 666, 667,
 &end
#
#    0 AMB  15-2:1488    45 GLY  HN          4.50    (#   1488:15  Single Ambig)
 &rst
  ixpk= 1488, nxpk= 15, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 706, 707, 708, 654, 655, 656,
 &end
#
#    0 AMB  15-2:1489    45 GLY  HN          3.50    (#   1489:15  Single Ambig)
 &rst
  ixpk= 1489, nxpk= 15, iat=  -1, 695, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 685, 686, 687, 689, 690, 691, 685, 686, 687, 689,
       690, 691,
 &end
#
#   43 GLN  HN           45 GLY  HN          5.50    (#   1490:15  Unique         3.84, 3.94 A)
 &rst
  ixpk= 1490, nxpk= 15, iat= 662, 695, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 ALA  HA           45 GLY  HN          5.50    (#   1491:15  Unique         4.95, 5.18 A)
 &rst
  ixpk= 1491, nxpk= 15, iat= 704, 695, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 ASN  HD2-         84 GLN  HE2+        5.50    (#   1492:15  Unique         2.26, 4.05 A)
 &rst
  ixpk= 1492, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1168,1169,
 igr2=1276,1277,
 &end
#
#   86 GLY  HA-          84 GLN  HE2+        5.50    (#   1494:15  Unique         2.30, 4.35 A)
 &rst
  ixpk= 1494, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1302,1303,
 igr2=1276,1277,
 &end
#
#   84 GLN  HG-          84 GLN  HE2+        4.50    (#   1495:15  Unique         2.18, 3.16 A)
 &rst
  ixpk= 1495, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1271,1272,
 igr2=1276,1277,
 &end
#
#   84 GLN  HG+          84 GLN  HE2+        4.50    (#   1496:15  Unique         2.18, 3.16 A)
 &rst
  ixpk= 1496, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1271,1272,
 igr2=1276,1277,
 &end
#
#   70 THR  MG2          84 GLN  HE2+        5.50    (#   1497:15  Unique         2.70, 4.80 A)
 &rst
  ixpk= 1497, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1069,1070,1071,
 igr2=1276,1277,
 &end
#
#   77 ASN  HD2+         84 GLN  HE2+        5.50    (#   1498:15  Unique         2.26, 4.05 A)
 &rst
  ixpk= 1498, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1168,1169,
 igr2=1276,1277,
 &end
#
#   70 THR  HB           84 GLN  HE2+        5.50    (#   1499:15  Unique         1.80, 3.61 A)
 &rst
  ixpk= 1499, nxpk= 15, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1276,1277,
 &end
#
#   72 ARG  HD-          84 GLN  HE2+        5.50    (#   1500:15  Unique         2.39, 4.48 A)
 &rst
  ixpk= 1500, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1094,1095,
 igr2=1276,1277,
 &end
#
#   84 GLN  HB-          84 GLN  HE2+        5.50    (#   1501:15  Unique         3.69, 4.72 A)
 &rst
  ixpk= 1501, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1268,1269,
 igr2=1276,1277,
 &end
#
#   77 ASN  HD2+         84 GLN  HE2-        5.50    (#   1502:15  Unique         2.26, 4.05 A)
 &rst
  ixpk= 1502, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1168,1169,
 igr2=1276,1277,
 &end
#
#   77 ASN  HD2-         84 GLN  HE2-        5.50    (#   1503:15  Unique         2.26, 4.05 A)
 &rst
  ixpk= 1503, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1168,1169,
 igr2=1276,1277,
 &end
#
#   86 GLY  HA+          84 GLN  HE2-        5.50    (#   1505:15  Unique         2.30, 4.35 A)
 &rst
  ixpk= 1505, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1302,1303,
 igr2=1276,1277,
 &end
#
#   70 THR  HB           84 GLN  HE2-        5.50    (#   1506:15  Unique         1.80, 3.61 A)
 &rst
  ixpk= 1506, nxpk= 15, iat=1067,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1276,1277,
 &end
#
#   86 GLY  HA-          84 GLN  HE2-        5.50    (#   1507:15  Unique         2.30, 4.35 A)
 &rst
  ixpk= 1507, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1302,1303,
 igr2=1276,1277,
 &end
#
#   72 ARG  HD-          84 GLN  HE2-        5.50    (#   1508:15  Unique         2.39, 4.48 A)
 &rst
  ixpk= 1508, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1094,1095,
 igr2=1276,1277,
 &end
#
#   84 GLN  HG-          84 GLN  HE2-        5.50    (#   1509:15  Unique         2.18, 3.16 A)
 &rst
  ixpk= 1509, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1271,1272,
 igr2=1276,1277,
 &end
#
#   84 GLN  HG+          84 GLN  HE2-        4.50    (#   1510:15  Unique         2.18, 3.16 A)
 &rst
  ixpk= 1510, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1271,1272,
 igr2=1276,1277,
 &end
#
#   70 THR  MG2          84 GLN  HE2-        5.50    (#   1511:15  Unique         2.70, 4.80 A)
 &rst
  ixpk= 1511, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1069,1070,1071,
 igr2=1276,1277,
 &end
#
#   73 GLY  HN           74 THR  HN          4.50    (#   1512:15  Unique         2.50, 2.89 A)
 &rst
  ixpk= 1512, nxpk= 15, iat=1108,1115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 VAL  HN           74 THR  HN          5.50    (#   1513:15  Unique         4.31, 4.59 A)
 &rst
  ixpk= 1513, nxpk= 15, iat=1129,1115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1514    74 THR  HN          3.50    (#   1514:15  Single Ambig)
 &rst
  ixpk= 1514, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1117,1086,
 &end
#
#   73 GLY  HA+          74 THR  HN          4.50    (#   1515:15  Unique         2.77, 3.33 A)
 &rst
  ixpk= 1515, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1110,1111,
 &end
#
#   72 ARG  HD+          74 THR  HN          5.50    (#   1516:15  Unique         2.94, 4.98 A)
 &rst
  ixpk= 1516, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1094,1095,
 &end
#
#   72 ARG  HD-          74 THR  HN          5.50    (#   1517:15  Unique         2.94, 4.98 A)
 &rst
  ixpk= 1517, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1094,1095,
 &end
#
#   72 ARG  HG-          74 THR  HN          4.50    (#   1518:15  Unique         2.29, 3.57 A)
 &rst
  ixpk= 1518, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1091,1092,
 &end
#
#   74 THR  MG2          74 THR  HN          4.50    (#   1519:15  Unique         2.50, 3.63 A)
 &rst
  ixpk= 1519, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1121,1122,1123,
 &end
#
#   77 ASN  HD2+         74 THR  HN          5.50    (#   1520:15  Unique         2.99, 4.91 A)
 &rst
  ixpk= 1520, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1168,1169,
 &end
#
#    0 AMB  15-2:1521    74 THR  HN          7.00    (#   1521:15  Single Ambig)
 &rst
  ixpk= 1521, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 967, 968,1097,
 &end
#
#   74 THR  HB           74 THR  HN          4.50    (#   1523:15  Unique         2.85, 3.42 A)
 &rst
  ixpk= 1523, nxpk= 15, iat=1119,1115, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 GLY  HA-          74 THR  HN          4.50    (#   1524:15  Unique         2.77, 3.33 A)
 &rst
  ixpk= 1524, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1110,1111,
 &end
#
#   72 ARG  HG+          74 THR  HN          4.50    (#   1525:15  Unique         2.29, 3.57 A)
 &rst
  ixpk= 1525, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1091,1092,
 &end
#
#    0 AMB  15-2:1526    74 THR  HN          5.50    (#   1526:15  Single Ambig)
 &rst
  ixpk= 1526, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1135,1136,1137,1139,1140,1141,1135,1136,1137,1139,
      1140,1141,
 &end
#
#   58 ASP  HB-          59 GLY  HN          5.50    (#   1527:15  Unique         3.95, 4.39 A)
 &rst
  ixpk= 1527, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 893, 894,
 &end
#
#    0 AMB  15-2:1528    59 GLY  HN          5.50    (#   1528:15  Single Ambig)
 &rst
  ixpk= 1528, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 893, 894, 926, 927,
 &end
#
#   58 ASP  HN           59 GLY  HN          3.50    (#   1529:15  Unique         2.24, 2.32 A)
 &rst
  ixpk= 1529, nxpk= 15, iat= 889, 901, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   61 GLN  HN           59 GLY  HN          5.50    (#   1530:15  Unique         4.19, 4.62 A)
 &rst
  ixpk= 1530, nxpk= 15, iat= 919, 901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 LEU  HN           59 GLY  HN          5.50    (#   1531:15  Unique         4.13, 4.42 A)
 &rst
  ixpk= 1531, nxpk= 15, iat= 859, 901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 ASP  HA           59 GLY  HN          4.50    (#   1532:15  Unique         2.84, 2.95 A)
 &rst
  ixpk= 1532, nxpk= 15, iat= 891, 901, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 SER  QB           59 GLY  HN          5.50    (#   1534:15  Unique         5.27, 6.12 A)
 &rst
  ixpk= 1534, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 912, 913,
 &end
#
#   57 SER  HA           59 GLY  HN          5.50    (#   1535:15  Unique         4.03, 4.12 A)
 &rst
  ixpk= 1535, nxpk= 15, iat= 880, 901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 GLY  HA+          59 GLY  HN          3.50    (#   1536:15  Unique         2.23, 2.48 A)
 &rst
  ixpk= 1536, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 903, 904,
 &end
#
#   62 LEU  HB+          59 GLY  HN          5.50    (#   1537:15  Unique         4.43, 5.12 A)
 &rst
  ixpk= 1537, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 940, 941,
 &end
#
#   56 LEU  HG           59 GLY  HN          5.50    (#   1538:15  Unique         2.98, 3.48 A)
 &rst
  ixpk= 1538, nxpk= 15, iat= 866, 901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 LEU  HB+          59 GLY  HN          4.50    (#   1539:15  Unique         2.69, 3.88 A)
 &rst
  ixpk= 1539, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 863, 864,
 &end
#
#   56 LEU  HB-          59 GLY  HN          4.50    (#   1540:15  Unique         2.69, 3.88 A)
 &rst
  ixpk= 1540, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 863, 864,
 &end
#
#   53 LEU  MDX          59 GLY  HN          5.50    (#   1541:15  Unique         4.85, 7.15 A)
 &rst
  ixpk= 1541, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   56 LEU  MDX          59 GLY  HN          5.50    (#   1542:15  Unique         3.14, 5.30 A)
 &rst
  ixpk= 1542, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 868, 869, 870, 872, 873, 874,
 &end
#
#    0 AMB  15-2:1543    59 GLY  HN          5.50    (#   1543:15  Single Ambig)
 &rst
  ixpk= 1543, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 936, 955,
 &end
#
#    0 AMB  15-2:1544    59 GLY  HN          4.50    (#   1544:15  Single Ambig)
 &rst
  ixpk= 1544, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 815, 882, 883,
 &end
#
#    0 AMB  15-2:1545    59 GLY  HN          5.50    (#   1545:15  Single Ambig)
 &rst
  ixpk= 1545, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1= 820, 923, 924, 959, 960,
 &end
#
#   88 CYS  HN           87 GLY  HN          5.50    (#   1546:15  Unique         4.21, 4.27 A)
 &rst
  ixpk= 1546, nxpk= 15, iat=1314,1307, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87 GLY  HA+          87 GLY  HN          4.50    (#   1548:15  Unique         2.41, 2.76 A)
 &rst
  ixpk= 1548, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1309,1310,
 &end
#
#   86 GLY  HA+          87 GLY  HN          3.50    (#   1549:15  Unique         2.16, 2.63 A)
 &rst
  ixpk= 1549, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1302,1303,
 &end
#
#   90 THR  HB           87 GLY  HN          4.50    (#   1550:15  Unique         2.37, 2.51 A)
 &rst
  ixpk= 1550, nxpk= 15, iat=1341,1307, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1551    87 GLY  HN          3.50    (#   1551:15  Single Ambig)
 &rst
  ixpk= 1551, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1302,1303,1309,1310,
 &end
#
#   72 ARG  HD+          87 GLY  HN          5.50    (#   1552:15  Unique         4.08, 5.07 A)
 &rst
  ixpk= 1552, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1094,1095,
 &end
#
#   90 THR  MG2          87 GLY  HN          4.50    (#   1553:15  Unique         3.60, 4.26 A)
 &rst
  ixpk= 1553, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1343,1344,1345,
 &end
#
#    0 AMB  15-2:1554    87 GLY  HN          5.50    (#   1554:15  Single Ambig)
 &rst
  ixpk= 1554, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   85 ILE  MG2          87 GLY  HN          5.50    (#   1555:15  Unique         4.76, 6.10 A)
 &rst
  ixpk= 1555, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1287,1288,1289,
 &end
#
#   86 GLY  HN           87 GLY  HN          5.50    (#   1556:15  Unique         3.99, 4.16 A)
 &rst
  ixpk= 1556, nxpk= 15, iat=1300,1307, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ALA  HN           19 SER  HN          5.50    (#   1557:15  Unique         4.15, 4.40 A)
 &rst
  ixpk= 1557, nxpk= 15, iat= 308, 286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 ALA  HN           19 SER  HN          4.50    (#   1558:15  Unique         2.78, 2.83 A)
 &rst
  ixpk= 1558, nxpk= 15, iat= 276, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 SER  HN           19 SER  HN          3.50    (#   1559:15  Unique         2.01, 2.22 A)
 &rst
  ixpk= 1559, nxpk= 15, iat= 297, 286, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 SER  HA           19 SER  HN          4.50    (#   1561:15  Unique         2.94, 2.98 A)
 &rst
  ixpk= 1561, nxpk= 15, iat= 288, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 SER  HA           19 SER  HN          5.50    (#   1562:15  Unique         4.48, 4.64 A)
 &rst
  ixpk= 1562, nxpk= 15, iat= 299, 286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   19 SER  HB-          19 SER  HN          3.50    (#   1563:15  Unique         2.51, 3.19 A)
 &rst
  ixpk= 1563, nxpk= 15, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 290, 291,
 &end
#
#    0 AMB  15-2:1564    19 SER  HN          4.50    (#   1564:15  Single Ambig)
 &rst
  ixpk= 1564, nxpk= 15, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 278, 222,1237,1238,
 &end
#
#    0 AMB  15-2:1565    19 SER  HN          3.50    (#   1565:15  Single Ambig)
 &rst
  ixpk= 1565, nxpk= 15, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 280, 281, 282, 354, 355, 356, 358, 359, 360,
 &end
#
#   24 VAL  MGX          19 SER  HN          5.50    (#   1566:15  Unique         3.75, 5.46 A)
 &rst
  ixpk= 1566, nxpk= 15, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   17 LEU  HN           19 SER  HN          5.50    (#   1567:15  Unique         4.02, 4.08 A)
 &rst
  ixpk= 1567, nxpk= 15, iat= 257, 286, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1568    19 SER  HN          5.50    (#   1568:15  Single Ambig)
 &rst
  ixpk= 1568, nxpk= 15, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 242, 220,
 &end
#
#   19 SER  HB+          19 SER  HN          4.50    (#   1569:15  Unique         2.51, 3.19 A)
 &rst
  ixpk= 1569, nxpk= 15, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 290, 291,
 &end
#
#   80 ILE  HN           82 GLY  HN          5.50    (#   1570:15  Unique         3.79, 3.96 A)
 &rst
  ixpk= 1570, nxpk= 15, iat=1209,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 PHE  HB+          82 GLY  HN          5.50    (#   1571:15  Unique         3.55, 4.38 A)
 &rst
  ixpk= 1571, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#   83 LYS  HN           82 GLY  HN          4.50    (#   1572:15  Unique         2.68, 2.74 A)
 &rst
  ixpk= 1572, nxpk= 15, iat=1242,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1573    82 GLY  HN          5.50    (#   1573:15  Single Ambig)
 &rst
  ixpk= 1573, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1211, 334,
 &end
#
#    0 AMB  15-2:1575    82 GLY  HN          5.50    (#   1575:15  Single Ambig)
 &rst
  ixpk= 1575, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 288,1244,
 &end
#
#   81 GLY  HA+          82 GLY  HN          5.50    (#   1576:15  Unique         2.98, 3.29 A)
 &rst
  ixpk= 1576, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1230,1231,
 &end
#
#   82 GLY  HA-          82 GLY  HN          3.50    (#   1577:15  Unique         2.28, 2.57 A)
 &rst
  ixpk= 1577, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1237,1238,
 &end
#
#   81 GLY  HN           82 GLY  HN          4.50    (#   1578:15  Unique         2.75, 2.80 A)
 &rst
  ixpk= 1578, nxpk= 15, iat=1228,1235, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 GLY  HA-          82 GLY  HN          4.50    (#   1579:15  Unique         2.98, 3.29 A)
 &rst
  ixpk= 1579, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1230,1231,
 &end
#
#   79 PHE  HB-          82 GLY  HN          5.50    (#   1580:15  Unique         3.55, 4.38 A)
 &rst
  ixpk= 1580, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1193,1194,
 &end
#
#    0 AMB  15-2:1581    82 GLY  HN          5.50    (#   1581:15  Single Ambig)
 &rst
  ixpk= 1581, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1249,1250,1630,1631,1632,
 &end
#
#   80 ILE  MG2          82 GLY  HN          5.50    (#   1582:15  Unique         5.07, 5.66 A)
 &rst
  ixpk= 1582, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1215,1216,1217,
 &end
#
#    0 AMB  15-2:1583    82 GLY  HN          5.50    (#   1583:15  Single Ambig)
 &rst
  ixpk= 1583, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1197,1205, 286,
 &end
#
#    0 AMB  15-2:1584    82 GLY  HN          5.50    (#   1584:15  Single Ambig)
 &rst
  ixpk= 1584, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1246,1247, 352,
 &end
#
#   77 ASN  HB-          77 ASN  HD2+        5.50    (#   1586:15  Unique         2.18, 3.19 A)
 &rst
  ixpk= 1586, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1163,1164,
 igr2=1168,1169,
 &end
#
#   66 LEU  MDX          77 ASN  HD2+        5.50    (#   1587:15  Unique         2.18, 5.24 A)
 &rst
  ixpk= 1587, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2=1168,1169,
 &end
#
#   66 LEU  MDY          77 ASN  HD2+        5.50    (#   1588:15  Unique         2.18, 5.24 A)
 &rst
  ixpk= 1588, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2=1168,1169,
 &end
#
#   77 ASN  HB+          77 ASN  HD2+        5.50    (#   1589:15  Unique         2.18, 3.19 A)
 &rst
  ixpk= 1589, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1163,1164,
 igr2=1168,1169,
 &end
#
#    0 AMB  15-2:1590     0 AMB  15-1:1590   5.50    (#   1590:15  Double Ambig)
 &rst
  ixpk= 1590, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.73, r4= 9.23,
 igr1=1091,1092,1088,1089,
 igr2=1168,1169,1168,1169,
 &end
#
#   77 ASN  HB-          77 ASN  HD2-        5.50    (#   1591:15  Unique         2.18, 3.19 A)
 &rst
  ixpk= 1591, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1163,1164,
 igr2=1168,1169,
 &end
#
#    0 AMB  15-2:1592    77 ASN  HD2-        4.50    (#   1592:15  Single Ambig)
 &rst
  ixpk= 1592, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1069,1070,1071,1002,1003,1004,1006,1007,1008,
 igr2=1168,1169,
 &end
#
#   77 ASN  HB+          77 ASN  HD2-        5.50    (#   1593:15  Unique         2.18, 3.19 A)
 &rst
  ixpk= 1593, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1163,1164,
 igr2=1168,1169,
 &end
#
#    0 AMB  15-2:1594    77 ASN  HD2-        5.50    (#   1594:15  Single Ambig)
 &rst
  ixpk= 1594, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1088,1089,1000,
 igr2=1168,1169,
 &end
#
#    0 AMB  15-2:1596    70 THR  HN          5.50    (#   1596:15  Single Ambig)
 &rst
  ixpk= 1596, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1091,1092,1016,1017,1018, 987, 988, 989,
 &end
#
#   69 TRP  HN           70 THR  HN          4.50    (#   1597:15  Unique         2.62, 2.69 A)
 &rst
  ixpk= 1597, nxpk= 15, iat=1039,1063, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 GLY  HN           70 THR  HN          3.50    (#   1598:15  Unique         2.12, 2.37 A)
 &rst
  ixpk= 1598, nxpk= 15, iat=1077,1063, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 TRP  HE3          70 THR  HN          5.50    (#   1599:15  Unique         4.19, 4.81 A)
 &rst
  ixpk= 1599, nxpk= 15, iat=1058,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1601    70 THR  HN          4.50    (#   1601:15  Single Ambig)
 &rst
  ixpk= 1601, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1079,1080,1024,
 &end
#
#    0 AMB  15-2:1602    70 THR  HN          4.50    (#   1602:15  Single Ambig)
 &rst
  ixpk= 1602, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1065, 995,
 &end
#
#   67 ALA  HA           70 THR  HN          4.50    (#   1603:15  Unique         3.62, 3.86 A)
 &rst
  ixpk= 1603, nxpk= 15, iat=1014,1063, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1604    70 THR  HN          3.50    (#   1604:15  Single Ambig)
 &rst
  ixpk= 1604, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1043,1044,1043,1044,
 &end
#
#   70 THR  MG2          70 THR  HN          3.50    (#   1605:15  Unique         2.32, 3.32 A)
 &rst
  ixpk= 1605, nxpk= 15, iat=  -1,1063, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1069,1070,1071,
 &end
#
#   78 VAL  HN           86 GLY  HN          4.50    (#   1607:15  Unique         2.99, 3.07 A)
 &rst
  ixpk= 1607, nxpk= 15, iat=1173,1300, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 GLY  HA-          86 GLY  HN          4.50    (#   1609:15  Unique         2.72, 2.82 A)
 &rst
  ixpk= 1609, nxpk= 15, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1302,1303,
 &end
#
#    0 AMB  15-2:1610    86 GLY  HN          5.50    (#   1610:15  Single Ambig)
 &rst
  ixpk= 1610, nxpk= 15, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,
 &end
#
#   85 ILE  MG2          86 GLY  HN          4.50    (#   1611:15  Unique         2.99, 4.33 A)
 &rst
  ixpk= 1611, nxpk= 15, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1287,1288,1289,
 &end
#
#   85 ILE  HN           86 GLY  HN          4.50    (#   1612:15  Unique         2.08, 2.19 A)
 &rst
  ixpk= 1612, nxpk= 15, iat=1281,1300, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 GLY  HA+          86 GLY  HN          4.50    (#   1613:15  Unique         2.72, 2.82 A)
 &rst
  ixpk= 1613, nxpk= 15, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1302,1303,
 &end
#
#   85 ILE  HA           86 GLY  HN          5.50    (#   1614:15  Unique         3.62, 3.65 A)
 &rst
  ixpk= 1614, nxpk= 15, iat=1283,1300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1615    86 GLY  HN          5.50    (#   1615:15  Single Ambig)
 &rst
  ixpk= 1615, nxpk= 15, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1266,1094,1095,
 &end
#
#   78 VAL  HB           86 GLY  HN          5.50    (#   1616:15  Unique         3.04, 3.24 A)
 &rst
  ixpk= 1616, nxpk= 15, iat=1177,1300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1617    86 GLY  HN          4.50    (#   1617:15  Single Ambig)
 &rst
  ixpk= 1617, nxpk= 15, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1285,1271,1272,
 &end
#
#   84 GLN  HG+          86 GLY  HN          5.50    (#   1618:15  Unique         2.65, 4.50 A)
 &rst
  ixpk= 1618, nxpk= 15, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1271,1272,
 &end
#
#   85 ILE  HG1+         86 GLY  HN          5.50    (#   1619:15  Unique         4.17, 4.61 A)
 &rst
  ixpk= 1619, nxpk= 15, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1291,1292,
 &end
#
#   78 VAL  MGX          86 GLY  HN          5.50    (#   1620:15  Unique         4.21, 5.42 A)
 &rst
  ixpk= 1620, nxpk= 15, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1179,1180,1181,1183,1184,1185,
 &end
#
#    0 AMB  15-2:1621    86 GLY  HN          5.50    (#   1621:15  Single Ambig)
 &rst
  ixpk= 1621, nxpk= 15, iat=  -1,1300, r1= 1.30, r2= 1.80, r3= 7.19, r4= 7.69,
 igr1=1268,1269,1343,1344,1345,
 &end
#
#  115 ALA  MB          117 LEU  HN          7.00    (#   1622:15  Unique         2.64, 6.49 A)
 &rst
  ixpk= 1622, nxpk= 15, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1734,1735,1736,
 &end
#
#    0 AMB  15-2:1623   117 LEU  HN          5.50    (#   1623:15  Single Ambig)
 &rst
  ixpk= 1623, nxpk= 15, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1766,1767,1768,1770,1771,1772,1766,1767,1768,1770,
      1771,1772,
 &end
#
#   26 PHE  HD           51 VAL  HN          5.50    (#   1624:15  Unique         4.98, 5.77 A)
 &rst
  ixpk= 1624, nxpk= 15, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 388, 396,
 &end
#
#    0 AMB  15-2:1626    51 VAL  HN          5.50    (#   1626:15  Single Ambig)
 &rst
  ixpk= 1626, nxpk= 15, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 366, 746,
 &end
#
#   25 VAL  MGY          51 VAL  HN          5.50    (#   1627:15  Unique         4.25, 5.82 A)
 &rst
  ixpk= 1627, nxpk= 15, iat=  -1, 782, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   23 VAL  HA           79 PHE  HN          5.50    (#   1628:15  Unique         4.54, 4.59 A)
 &rst
  ixpk= 1628, nxpk= 15, iat= 334,1189, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1629    79 PHE  HN          5.50    (#   1629:15  Single Ambig)
 &rst
  ixpk= 1629, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1266, 384, 385,
 &end
#
#    0 AMB  15-2:1630    79 PHE  HN          5.50    (#   1630:15  Single Ambig)
 &rst
  ixpk= 1630, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1219,1220,1271,1272,
 &end
#
#    0 AMB  15-2:1631    79 PHE  HN          5.50    (#   1631:15  Single Ambig)
 &rst
  ixpk= 1631, nxpk= 15, iat=  -1,1189, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 370, 371, 372, 374, 375, 376,1294,1295,1296,
 &end
#
#    0 AMB  15-2:1632    69 TRP  HE1         7.00    (#   1632:15  Single Ambig)
 &rst
  ixpk= 1632, nxpk= 15, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1264,1039,
 &end
#
#   69 TRP  HZ3          69 TRP  HE1         7.00    (#   1634:15  Unique         5.99, 6.00 A)
 &rst
  ixpk= 1634, nxpk= 15, iat=1056,1049, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   15 LYS  HA           69 TRP  HE1         7.00    (#   1635:15  Unique         5.94, 6.45 A)
 &rst
  ixpk= 1635, nxpk= 15, iat= 222,1049, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   36 ARG  HN           33 TYR  HN          5.50    (#   1636:15  Unique         4.34, 4.55 A)
 &rst
  ixpk= 1636, nxpk= 15, iat= 531, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 CYS  HB-          33 TYR  HN          5.50    (#   1637:15  Unique         5.70, 6.07 A)
 &rst
  ixpk= 1637, nxpk= 15, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1318,1319,
 &end
#
#   32 GLY  HN           34 CYS  HN          5.50    (#   1639:15  Unique         4.07, 4.26 A)
 &rst
  ixpk= 1639, nxpk= 15, iat= 478, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 TYR  HD           34 CYS  HN          5.50    (#   1640:15  Unique         4.49, 5.16 A)
 &rst
  ixpk= 1640, nxpk= 15, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 493, 502,
 &end
#
#   36 ARG  HN           34 CYS  HN          5.50    (#   1642:15  Unique         3.84, 3.99 A)
 &rst
  ixpk= 1642, nxpk= 15, iat= 531, 506, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1643    34 CYS  HN          5.50    (#   1643:15  Single Ambig)
 &rst
  ixpk= 1643, nxpk= 15, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 561, 562, 563, 565, 566, 567,1135,1136,1137,1139,
      1140,1141,1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  15-2:1644    34 CYS  HN          7.00    (#   1644:15  Single Ambig)
 &rst
  ixpk= 1644, nxpk= 15, iat=  -1, 506, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
 igr1= 561, 562, 563, 565, 566, 567, 415, 416, 415, 416,
      
 &end
#
#    0 AMB  15-2:1645    34 CYS  HN          5.50    (#   1645:15  Single Ambig)
 &rst
  ixpk= 1645, nxpk= 15, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1149,1150,1152,1153,
 &end
#
#   79 PHE  HD           24 VAL  HN          5.50    (#   1646:15  Unique         4.83, 5.73 A)
 &rst
  ixpk= 1646, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1197,1205,
 &end
#
#   48 TYR  HB-          24 VAL  HN          5.50    (#   1647:15  Unique         4.60, 5.16 A)
 &rst
  ixpk= 1647, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 727, 728,
 &end
#
#    0 AMB  15-2:1648    24 VAL  HN          4.50    (#   1648:15  Single Ambig)
 &rst
  ixpk= 1648, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1179,1180,1181,1183,1184,1185, 370, 371, 372, 374,
       375, 376,
 &end
#
#    0 AMB  15-2:1659    26 PHE  HN          5.50    (#   1659:15  Single Ambig)
 &rst
  ixpk= 1659, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1155, 402,
 &end
#
#   26 PHE  HB+          26 PHE  HN          4.50    (#   1660:15  Unique         2.38, 3.04 A)
 &rst
  ixpk= 1660, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 384, 385,
 &end
#
#   53 LEU  MDX          26 PHE  HN          5.50    (#   1662:15  Unique         5.67, 7.18 A)
 &rst
  ixpk= 1662, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   66 LEU  MDX          26 PHE  HN          5.50    (#   1664:15  Unique         5.00, 6.69 A)
 &rst
  ixpk= 1664, nxpk= 15, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   55 GLU  HN           52 GLU  HN          5.50    (#   1665:15  Unique         5.00, 5.25 A)
 &rst
  ixpk= 1665, nxpk= 15, iat= 844, 798, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1666    52 GLU  HN          5.50    (#   1666:15  Single Ambig)
 &rst
  ixpk= 1666, nxpk= 15, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 768, 861,
 &end
#
#   79 PHE  HD           78 VAL  HN          5.50    (#   1667:15  Unique         4.08, 6.04 A)
 &rst
  ixpk= 1667, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1197,1205,
 &end
#
#   87 GLY  HA+          78 VAL  HN          5.50    (#   1668:15  Unique         2.80, 3.92 A)
 &rst
  ixpk= 1668, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1309,1310,
 &end
#
#    0 AMB  15-2:1669    78 VAL  HN          7.00    (#   1669:15  Single Ambig)
 &rst
  ixpk= 1669, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1=1131,1283,
 &end
#
#    0 AMB  15-2:1671    78 VAL  HN          5.50    (#   1671:15  Single Ambig)
 &rst
  ixpk= 1671, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1271,1272,1088,1089,
 &end
#
#   55 GLU  HN           53 LEU  HN          5.50    (#   1672:15  Unique         4.25, 4.50 A)
 &rst
  ixpk= 1672, nxpk= 15, iat= 844, 813, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1673    53 LEU  HN          5.50    (#   1673:15  Single Ambig)
 &rst
  ixpk= 1673, nxpk= 15, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 424, 425, 384, 385,
 &end
#
#    0 AMB  15-2:1674    53 LEU  HN          5.50    (#   1674:15  Single Ambig)
 &rst
  ixpk= 1674, nxpk= 15, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 836, 837, 510, 511,
 &end
#
#   53 LEU  HB-          53 LEU  HN          4.50    (#   1675:15  Unique         2.22, 2.97 A)
 &rst
  ixpk= 1675, nxpk= 15, iat=  -1, 813, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 817, 818,
 &end
#
#    0 AMB  15-2:1676    25 VAL  HN          5.50    (#   1676:15  Single Ambig)
 &rst
  ixpk= 1676, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 727, 728,1193,1194,
 &end
#
#   86 GLY  HA-          85 ILE  HN          5.50    (#   1677:15  Unique         4.35, 4.67 A)
 &rst
  ixpk= 1677, nxpk= 15, iat=  -1,1281, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1302,1303,
 &end
#
#   49 LYS  QD           25 VAL  HN          5.50    (#   1678:15  Unique         4.11, 5.86 A)
 &rst
  ixpk= 1678, nxpk= 15, iat=  -1, 364, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 754, 755,
 &end
#
#   63 GLN  HE2-         67 ALA  HN          5.50    (#   1679:15  Unique         2.86, 5.07 A)
 &rst
  ixpk= 1679, nxpk= 15, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 967, 968,
 &end
#
#   68 HIS  HD2           0 AMB  15-1:1680   5.50    (#   1680:15  Single Ambig)
 &rst
  ixpk= 1680, nxpk= 15, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 983,1012,
 &end
#
#    0 AMB  15-2:1681     0 AMB  15-1:1681   3.50    (#   1681:15  Double Ambig)
 &rst
  ixpk= 1681, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 976, 977, 957,
 igr2= 983,1012,
 &end
#
#   51 VAL  HA           50 VAL  HN          5.50    (#   1682:15  Unique         4.59, 4.77 A)
 &rst
  ixpk= 1682, nxpk= 15, iat= 784, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1683    50 VAL  HN          5.50    (#   1683:15  Single Ambig)
 &rst
  ixpk= 1683, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 757, 758, 584, 585,
 &end
#
#   24 VAL  MGX          50 VAL  HN          5.50    (#   1684:15  Unique         4.68, 6.40 A)
 &rst
  ixpk= 1684, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   25 VAL  MGY          50 VAL  HN          5.50    (#   1685:15  Unique         5.44, 7.17 A)
 &rst
  ixpk= 1685, nxpk= 15, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   79 PHE  HZ           84 GLN  HN          5.50    (#   1689:15  Unique         4.50, 5.03 A)
 &rst
  ixpk= 1689, nxpk= 15, iat=1201,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85 ILE  HA           84 GLN  HN          5.50    (#   1690:15  Unique         5.38, 5.44 A)
 &rst
  ixpk= 1690, nxpk= 15, iat=1283,1264, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   18 ALA  MB           84 GLN  HN          5.50    (#   1691:15  Unique         5.89, 6.74 A)
 &rst
  ixpk= 1691, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 280, 281, 282,
 &end
#
#   83 LYS  QE           84 GLN  HN          5.50    (#   1692:15  Unique         4.08, 5.19 A)
 &rst
  ixpk= 1692, nxpk= 15, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1255,1256,
 &end
#
#   70 THR  HB           84 GLN  HN          7.00    (#   1693:15  Unique         5.87, 6.77 A)
 &rst
  ixpk= 1693, nxpk= 15, iat=1067,1264, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   43 GLN  HE2+         43 GLN  HN          5.50    (#   1694:15  Unique         2.64, 4.00 A)
 &rst
  ixpk= 1694, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 674, 675,
 &end
#
#   41 LEU  MDX          43 GLN  HN          5.50    (#   1696:15  Unique         5.86, 7.53 A)
 &rst
  ixpk= 1696, nxpk= 15, iat=  -1, 662, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#   61 GLN  HE2-         61 GLN  HN          5.50    (#   1697:15  Unique         3.97, 5.04 A)
 &rst
  ixpk= 1697, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 931, 932,
 &end
#
#   59 GLY  HA+          61 GLN  HN          5.50    (#   1698:15  Unique         4.23, 4.67 A)
 &rst
  ixpk= 1698, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 903, 904,
 &end
#
#   61 GLN  HB-          61 GLN  HN          4.50    (#   1699:15  Unique         2.02, 3.09 A)
 &rst
  ixpk= 1699, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 923, 924,
 &end
#
#   53 LEU  MDX          61 GLN  HN          5.50    (#   1700:15  Unique         5.92, 7.83 A)
 &rst
  ixpk= 1700, nxpk= 15, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   41 LEU  MDX          49 LYS  HN          5.50    (#   1701:15  Unique         4.88, 7.01 A)
 &rst
  ixpk= 1701, nxpk= 15, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  15-2:1702    21 ALA  HN          7.00    (#   1702:15  Single Ambig)
 &rst
  ixpk= 1702, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 348, 364,
 &end
#
#   48 TYR  HA           21 ALA  HN          7.00    (#   1704:15  Unique         6.44, 6.62 A)
 &rst
  ixpk= 1704, nxpk= 15, iat= 725, 308, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   23 VAL  HA           21 ALA  HN          7.00    (#   1705:15  Unique         6.04, 6.17 A)
 &rst
  ixpk= 1705, nxpk= 15, iat= 334, 308, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   28 LYS  HA           28 LYS  HN          5.50    (#   1706:15  Unique         2.91, 2.95 A)
 &rst
  ixpk= 1706, nxpk= 15, iat= 413, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   99 GLU  HA          100 LEU  HN          5.50    (#   1708:15  Unique         3.52, 3.54 A)
 &rst
  ixpk= 1708, nxpk= 15, iat=1494,1507, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1709   100 LEU  HN          5.50    (#   1709:15  Single Ambig)
 &rst
  ixpk= 1709, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1411,1412,1411,1412,
 &end
#
#   31 CYS  HB-          28 LYS  HN          5.50    (#   1710:15  Unique         2.52, 4.45 A)
 &rst
  ixpk= 1710, nxpk= 15, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 473, 472,
 &end
#
#    0 AMB  15-2:1711    21 ALA  HN          5.50    (#   1711:15  Single Ambig)
 &rst
  ixpk= 1711, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 328,1237,1238,
 &end
#
#    0 AMB  15-2:1712    21 ALA  HN          5.50    (#   1712:15  Single Ambig)
 &rst
  ixpk= 1712, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 290, 291, 259,
 &end
#
#   49 LYS  HB-          21 ALA  HN          5.50    (#   1713:15  Unique         4.40, 4.83 A)
 &rst
  ixpk= 1713, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 748, 749,
 &end
#
#   22 PRO  HG+          21 ALA  HN          7.00    (#   1714:15  Unique         6.42, 6.70 A)
 &rst
  ixpk= 1714, nxpk= 15, iat=  -1, 308, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 322, 323,
 &end
#
#    0 AMB  15-2:1715    34 CYS  HN          5.50    (#   1715:15  Single Ambig)
 &rst
  ixpk= 1715, nxpk= 15, iat=  -1, 506, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1152,1153, 521, 522,
 &end
#
#   36 ARG  HA           34 CYS  HN          7.00    (#   1716:15  Unique         6.61, 6.75 A)
 &rst
  ixpk= 1716, nxpk= 15, iat= 533, 506, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   25 VAL  MGY          24 VAL  HN          5.50    (#   1717:15  Unique         3.95, 5.92 A)
 &rst
  ixpk= 1717, nxpk= 15, iat=  -1, 348, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#    6 GLU  HB-           7 LEU  HN          4.50    (#   1718:15  Unique         2.57, 3.22 A)
 &rst
  ixpk= 1718, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  85,  86,
 &end
#
#    0 AMB  15-2:1719    77 ASN  HN          5.50    (#   1719:15  Single Ambig)
 &rst
  ixpk= 1719, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1309,1310,1146,1147, 510, 511,
 &end
#
#   77 ASN  HB-          77 ASN  HN          4.50    (#   1720:15  Unique         2.62, 2.94 A)
 &rst
  ixpk= 1720, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1163,1164,
 &end
#
#   25 VAL  MGY          77 ASN  HN          5.50    (#   1721:15  Unique         3.08, 5.52 A)
 &rst
  ixpk= 1721, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   78 VAL  MGX          77 ASN  HN          4.50    (#   1722:15  Unique         3.75, 5.62 A)
 &rst
  ixpk= 1722, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1179,1180,1181,1183,1184,1185,
 &end
#
#   75 VAL  MGY          77 ASN  HN          4.50    (#   1723:15  Unique         3.46, 5.75 A)
 &rst
  ixpk= 1723, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1135,1136,1137,1139,1140,1141,
 &end
#
#   66 LEU  MDY          77 ASN  HN          5.50    (#   1724:15  Unique         5.16, 7.51 A)
 &rst
  ixpk= 1724, nxpk= 15, iat=  -1,1159, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#    0 AMB  15-2:1725    46 ALA  HN          5.50    (#   1725:15  Single Ambig)
 &rst
  ixpk= 1725, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1660, 681,
 &end
#
#    0 AMB  15-2:1726    46 ALA  HN          5.50    (#   1726:15  Single Ambig)
 &rst
  ixpk= 1726, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 636,1650,1651,1652,
 &end
#
#  104 LEU  MDX          46 ALA  HN          5.50    (#   1727:15  Unique         4.08, 5.74 A)
 &rst
  ixpk= 1727, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1587,1588,1589,1591,1592,1593,
 &end
#
#   41 LEU  MDY          46 ALA  HN          5.50    (#   1728:15  Unique         4.69, 6.38 A)
 &rst
  ixpk= 1728, nxpk= 15, iat=  -1, 702, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  15-2:1729    14 ALA  HN          7.00    (#   1729:15  Single Ambig)
 &rst
  ixpk= 1729, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 137, 127,
 &end
#
#    0 AMB  15-2:1730    14 ALA  HN          4.50    (#   1730:15  Single Ambig)
 &rst
  ixpk= 1730, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 195, 196, 987, 988, 989,
 &end
#
#    0 AMB  15-2:1731    14 ALA  HN          5.50    (#   1731:15  Single Ambig)
 &rst
  ixpk= 1731, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 264, 280, 281, 282,
 &end
#
#    0 AMB  15-2:1732    14 ALA  HN          5.50    (#   1732:15  Single Ambig)
 &rst
  ixpk= 1732, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 156, 157, 158, 160, 161, 162, 943,
 &end
#
#   66 LEU  MDX          14 ALA  HN          5.50    (#   1733:15  Unique         5.04, 6.79 A)
 &rst
  ixpk= 1733, nxpk= 15, iat=  -1, 210, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   26 PHE  HE           18 ALA  HN          5.50    (#   1734:15  Unique         4.09, 4.37 A)
 &rst
  ixpk= 1734, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 390, 394,
 &end
#
#    0 AMB  15-2:1736    18 ALA  HN          5.50    (#   1736:15  Single Ambig)
 &rst
  ixpk= 1736, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 352, 192, 193,
 &end
#
#   15 LYS  HG-          18 ALA  HN          5.50    (#   1737:15  Unique         5.68, 5.96 A)
 &rst
  ixpk= 1737, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 227, 228,
 &end
#
#   66 LEU  MDX          18 ALA  HN          5.50    (#   1738:15  Unique         5.88, 7.26 A)
 &rst
  ixpk= 1738, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   51 VAL  MGX          18 ALA  HN          5.50    (#   1739:15  Unique         5.32, 7.17 A)
 &rst
  ixpk= 1739, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 788, 789, 790, 792, 793, 794,
 &end
#
#    0 AMB  15-2:1740    18 ALA  HN          4.50    (#   1740:15  Single Ambig)
 &rst
  ixpk= 1740, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 266, 267, 268, 270, 271, 272, 945, 946, 947, 949,
       950, 951,
 &end
#
#   99 GLU  HN          101 LEU  HN          5.50    (#   1741:15  Unique         3.48, 3.77 A)
 &rst
  ixpk= 1741, nxpk= 15, iat=1492,1526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  100 LEU  HB-         101 LEU  HN          5.50    (#   1743:15  Unique         2.56, 3.28 A)
 &rst
  ixpk= 1743, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1511,1512,
 &end
#
#   72 ARG  HG-          72 ARG  HN          5.50    (#   1744:15  Unique         2.65, 4.45 A)
 &rst
  ixpk= 1744, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1091,1092,
 &end
#
#  106 ASP  HB+         106 ASP  HN          3.50    (#   1745:15  Unique         2.34, 2.50 A)
 &rst
  ixpk= 1745, nxpk= 15, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1618,1619,
 &end
#
#   53 LEU  MDX          62 LEU  HN          5.50    (#   1746:15  Unique         4.27, 6.17 A)
 &rst
  ixpk= 1746, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   62 LEU  HG           62 LEU  HN          4.50    (#   1747:15  Unique         3.77, 4.30 A)
 &rst
  ixpk= 1747, nxpk= 15, iat= 943, 936, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 LEU  MDX           6 GLU  HN          5.50    (#   1748:15  Unique         6.52, 7.53 A)
 &rst
  ixpk= 1748, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 105, 106, 107, 109, 110, 111,
 &end
#
#   24 VAL  HN           81 GLY  HN          5.50    (#   1749:15  Unique         5.40, 5.49 A)
 &rst
  ixpk= 1749, nxpk= 15, iat= 348,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   80 ILE  HN           81 GLY  HN          5.50    (#   1750:15  Unique         4.22, 4.23 A)
 &rst
  ixpk= 1750, nxpk= 15, iat=1209,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83 LYS  HN           81 GLY  HN          5.50    (#   1751:15  Unique         4.30, 4.36 A)
 &rst
  ixpk= 1751, nxpk= 15, iat=1242,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   22 PRO  HA           81 GLY  HN          4.50    (#   1752:15  Unique         3.15, 3.33 A)
 &rst
  ixpk= 1752, nxpk= 15, iat= 328,1228, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 ILE  HB           81 GLY  HN          5.50    (#   1753:15  Unique         3.98, 4.09 A)
 &rst
  ixpk= 1753, nxpk= 15, iat=1213,1228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   80 ILE  HG1+         81 GLY  HN          5.50    (#   1754:15  Unique         4.32, 4.75 A)
 &rst
  ixpk= 1754, nxpk= 15, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1219,1220,
 &end
#
#   38 LYS  HB-          38 LYS  HN          4.50    (#   1755:15  Unique         2.45, 3.05 A)
 &rst
  ixpk= 1755, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 575, 576,
 &end
#
#   35 ASN  HB-          36 ARG  HN          4.50    (#   1756:15  Unique         2.61, 3.42 A)
 &rst
  ixpk= 1756, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 521, 522,
 &end
#
#   92 VAL  HA           95 HIS  HN          4.50    (#   1757:15  Unique         3.25, 3.41 A)
 &rst
  ixpk= 1757, nxpk= 15, iat=1369,1420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95 HIS  HB-          95 HIS  HN          4.50    (#   1758:15  Unique         2.41, 2.55 A)
 &rst
  ixpk= 1758, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1424,1425,
 &end
#
#  105 GLN  HA          107 ALA  HN          5.50    (#   1759:15  Unique         4.25, 4.43 A)
 &rst
  ixpk= 1759, nxpk= 15, iat=1599,1626, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   17 LEU  HB+          17 LEU  HN          4.50    (#   1760:15  Unique         2.32, 2.97 A)
 &rst
  ixpk= 1760, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 261, 262,
 &end
#
#   24 VAL  MGX          17 LEU  HN          5.50    (#   1761:15  Unique         5.65, 7.12 A)
 &rst
  ixpk= 1761, nxpk= 15, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 354, 355, 356, 358, 359, 360,
 &end
#
#   63 GLN  QG           63 GLN  HN          4.50    (#   1762:15  Unique         3.78, 4.44 A)
 &rst
  ixpk= 1762, nxpk= 15, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 962, 963,
 &end
#
#  109 ALA  HA          109 ALA  HN          4.50    (#   1763:15  Unique         2.84, 2.90 A)
 &rst
  ixpk= 1763, nxpk= 15, iat=1648,1646, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1764     0 AMB  15-1:1764   3.50    (#   1764:15  Double Ambig)
 &rst
  ixpk= 1764, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 190, 533,
 igr2= 188, 555,
 &end
#
#   36 ARG  HB-          37 VAL  HN          4.50    (#   1765:15  Unique         2.56, 3.25 A)
 &rst
  ixpk= 1765, nxpk= 15, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 535, 536,
 &end
#
#   46 ALA  MB          104 LEU  HN          7.00    (#   1766:15  Unique         6.40, 7.35 A)
 &rst
  ixpk= 1766, nxpk= 15, iat=  -1,1578, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1= 706, 707, 708,
 &end
#
#   56 LEU  MDY          58 ASP  HN          4.50    (#   1767:15  Unique         1.87, 4.30 A)
 &rst
  ixpk= 1767, nxpk= 15, iat=  -1, 889, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 868, 869, 870, 872, 873, 874,
 &end
#
#   70 THR  MG2          68 HIS  HN          7.00    (#   1769:15  Unique         6.19, 7.31 A)
 &rst
  ixpk= 1769, nxpk= 15, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=1069,1070,1071,
 &end
#
#   82 GLY  HN           80 ILE  HN          5.50    (#   1770:15  Unique         3.79, 3.96 A)
 &rst
  ixpk= 1770, nxpk= 15, iat=1235,1209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 CYS  HA           88 CYS  HN          4.50    (#   1771:15  Unique         2.77, 2.79 A)
 &rst
  ixpk= 1771, nxpk= 15, iat=1316,1314, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 ARG  HA           39 GLN  HN          4.50    (#   1772:15  Unique         3.40, 3.49 A)
 &rst
  ixpk= 1772, nxpk= 15, iat= 533, 593, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 VAL  MGY          39 GLN  HN          5.50    (#   1773:15  Unique         5.60, 6.59 A)
 &rst
  ixpk= 1773, nxpk= 15, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 561, 562, 563, 565, 566, 567,
 &end
#
#  110 THR  HB           47 SER  HN          7.00    (#   1774:15  Unique         3.51, 5.56 A)
 &rst
  ixpk= 1774, nxpk= 15, iat=1660, 712, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   61 GLN  HG+          60 SER  HN          5.50    (#   1776:15  Unique         4.38, 5.37 A)
 &rst
  ixpk= 1776, nxpk= 15, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 926, 927,
 &end
#
#    0 AMB  15-2:1777    60 SER  HN          5.50    (#   1777:15  Single Ambig)
 &rst
  ixpk= 1777, nxpk= 15, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 926, 927, 893, 894,
 &end
#
#   93 GLU  HB+          94 LYS  HN          4.50    (#   1778:15  Unique         2.39, 3.19 A)
 &rst
  ixpk= 1778, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1387,1388,
 &end
#
#    0 AMB  15-2:1779    60 SER  HN          5.50    (#   1779:15  Single Ambig)
 &rst
  ixpk= 1779, nxpk= 15, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 868, 869, 870, 872, 873, 874, 943,
 &end
#
#   53 LEU  MDX          60 SER  HN          5.50    (#   1780:15  Unique         5.32, 7.31 A)
 &rst
  ixpk= 1780, nxpk= 15, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 822, 823, 824, 826, 827, 828,
 &end
#
#   56 LEU  HB+          60 SER  HN          5.50    (#   1781:15  Unique         5.17, 6.24 A)
 &rst
  ixpk= 1781, nxpk= 15, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 863, 864,
 &end
#
#    0 AMB  15-2:1782    60 SER  HN          5.50    (#   1782:15  Single Ambig)
 &rst
  ixpk= 1782, nxpk= 15, iat=  -1, 908, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 923, 924, 866,
 &end
#
#   92 VAL  MGY          94 LYS  HN          5.50    (#   1783:15  Unique         5.28, 6.66 A)
 &rst
  ixpk= 1783, nxpk= 15, iat=  -1,1398, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1373,1374,1375,1377,1378,1379,
 &end
#
#   87 GLY  HA-          90 THR  HN          5.50    (#   1784:15  Unique         3.70, 4.35 A)
 &rst
  ixpk= 1784, nxpk= 15, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1309,1310,
 &end
#
#   91 VAL  HA           90 THR  HN          5.50    (#   1785:15  Unique         5.33, 5.36 A)
 &rst
  ixpk= 1785, nxpk= 15, iat=1353,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1786    90 THR  HN          5.50    (#   1786:15  Single Ambig)
 &rst
  ixpk= 1786, nxpk= 15, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1318,1319,1094,1095,
 &end
#
#   40 LEU  MDX          42 THR  HN          5.50    (#   1787:15  Unique         5.21, 7.47 A)
 &rst
  ixpk= 1787, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   54 ASP  HN           29 THR  HN          5.50    (#   1788:15  Unique         3.44, 3.67 A)
 &rst
  ixpk= 1788, nxpk= 15, iat= 832, 433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 TYR  HE           29 THR  HN          5.50    (#   1789:15  Unique         3.83, 5.84 A)
 &rst
  ixpk= 1789, nxpk= 15, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 457, 462,
 &end
#
#   30 TYR  HN           29 THR  HN          5.50    (#   1790:15  Unique         2.63, 2.89 A)
 &rst
  ixpk= 1790, nxpk= 15, iat= 447, 433, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 TYR  HA           29 THR  HN          7.00    (#   1791:15  Unique         5.24, 5.42 A)
 &rst
  ixpk= 1791, nxpk= 15, iat= 449, 433, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#   54 ASP  HB+          29 THR  HN          5.50    (#   1792:15  Unique         2.32, 2.96 A)
 &rst
  ixpk= 1792, nxpk= 15, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 836, 837,
 &end
#
#   55 GLU  HB+          29 THR  HN          7.00    (#   1793:15  Unique         5.24, 6.44 A)
 &rst
  ixpk= 1793, nxpk= 15, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 848, 849,
 &end
#
#   28 LYS  QG           29 THR  HN          5.50    (#   1794:15  Unique         3.38, 4.31 A)
 &rst
  ixpk= 1794, nxpk= 15, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 418, 419,
 &end
#
#   75 VAL  MGX          29 THR  HN          5.50    (#   1795:15  Unique         5.95, 7.63 A)
 &rst
  ixpk= 1795, nxpk= 15, iat=  -1, 433, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1135,1136,1137,1139,1140,1141,
 &end
#
#   69 TRP  HZ3          15 LYS  HN          5.50    (#   1796:15  Unique         3.84, 4.06 A)
 &rst
  ixpk= 1796, nxpk= 15, iat=1056, 220, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 HIS  HB-          97 ARG  HN          5.50    (#   1797:15  Unique         5.02, 5.51 A)
 &rst
  ixpk= 1797, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1424,1425,
 &end
#
#   98 ASN  HB-          97 ARG  HN          5.50    (#   1798:15  Unique         5.55, 5.87 A)
 &rst
  ixpk= 1798, nxpk= 15, iat=  -1,1454, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1482,1483,
 &end
#
#   63 GLN  QG           64 SER  HN          4.50    (#   1799:15  Unique         3.34, 4.41 A)
 &rst
  ixpk= 1799, nxpk= 15, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 962, 963,
 &end
#
#    0 AMB  15-2:1801    97 ARG  HE          7.00    (#   1801:15  Single Ambig)
 &rst
  ixpk= 1801, nxpk= 15, iat=  -1,1467, r1= 1.30, r2= 1.80, r3= 8.82, r4= 9.32,
 igr1=1499,1500,1441,1442,
 &end
#
#   94 LYS  HB-          98 ASN  HN          5.50    (#   1803:15  Unique         5.76, 6.24 A)
 &rst
  ixpk= 1803, nxpk= 15, iat=  -1,1478, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1402,1403,
 &end
#
#   23 VAL  MGY          23 VAL  HN          4.50    (#   1804:15  Unique         3.09, 4.35 A)
 &rst
  ixpk= 1804, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 338, 339, 340, 342, 343, 344,
 &end
#
#   44 VAL  HB           44 VAL  HN          4.50    (#   1805:15  Unique         2.37, 3.42 A)
 &rst
  ixpk= 1805, nxpk= 15, iat= 683, 679, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  15-2:1806     0 AMB  15-1:1806   5.50    (#   1806:15  Double Ambig)
 &rst
  ixpk= 1806, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1129,1022,
 igr2= 967, 968, 967, 968,
 &end
#
#    0 AMB  15-2:1807     0 AMB  15-1:1807   5.50    (#   1807:15  Double Ambig)
 &rst
  ixpk= 1807, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 974,1131,1119,
 igr2= 967, 968, 967, 968, 967, 968,
 &end
#
#    0 AMB  15-2:1808    63 GLN  HE2-        5.50    (#   1808:15  Single Ambig)
 &rst
  ixpk= 1808, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 974,1131,1119,
 igr2= 967, 968,
 &end
#
#   74 THR  MG2          63 GLN  HE2+        5.50    (#   1809:15  Unique         4.64, 6.63 A)
 &rst
  ixpk= 1809, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1121,1122,1123,
 igr2= 967, 968,
 &end
#
#   66 LEU  HB+          63 GLN  HE2+        5.50    (#   1810:15  Unique         2.57, 5.13 A)
 &rst
  ixpk= 1810, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 997, 998,
 igr2= 967, 968,
 &end
#
#   66 LEU  HB+          63 GLN  HE2-        5.50    (#   1811:15  Unique         2.57, 5.13 A)
 &rst
  ixpk= 1811, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 997, 998,
 igr2= 967, 968,
 &end
#
#   74 THR  MG2          63 GLN  HE2-        5.50    (#   1812:15  Unique         4.64, 6.63 A)
 &rst
  ixpk= 1812, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1121,1122,1123,
 igr2= 967, 968,
 &end
#
#  108 ALA  HA          110 THR  HN          5.50    (#   1813:15  Unique         2.94, 3.41 A)
 &rst
  ixpk= 1813, nxpk= 15, iat=1638,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1814   110 THR  HN          5.50    (#   1814:15  Single Ambig)
 &rst
  ixpk= 1814, nxpk= 15, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1604,1605, 325, 326,
 &end
#
#    0 AMB  15-2:1815   110 THR  HN          5.50    (#   1815:15  Single Ambig)
 &rst
  ixpk= 1815, nxpk= 15, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1=1587,1588,1589,1591,1592,1593,1585,
 &end
#
#   84 GLN  HB-          84 GLN  HE2-        5.50    (#   1816:15  Unique         3.69, 4.72 A)
 &rst
  ixpk= 1816, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1268,1269,
 igr2=1276,1277,
 &end
#
#   72 ARG  HB+          74 THR  HN          4.50    (#   1817:15  Unique         2.64, 4.64 A)
 &rst
  ixpk= 1817, nxpk= 15, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1088,1089,
 &end
#
#   56 LEU  MDY          59 GLY  HN          4.50    (#   1818:15  Unique         3.14, 5.30 A)
 &rst
  ixpk= 1818, nxpk= 15, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 868, 869, 870, 872, 873, 874,
 &end
#
#   72 ARG  HD-          87 GLY  HN          5.50    (#   1819:15  Unique         4.08, 5.07 A)
 &rst
  ixpk= 1819, nxpk= 15, iat=  -1,1307, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1094,1095,
 &end
#
#    0 AMB  15-2:1820    19 SER  HN          5.50    (#   1820:15  Single Ambig)
 &rst
  ixpk= 1820, nxpk= 15, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 249, 250, 246, 247,
 &end
#
#   79 PHE  HA           82 GLY  HN          5.50    (#   1822:15  Unique         5.29, 5.48 A)
 &rst
  ixpk= 1822, nxpk= 15, iat=1191,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   82 GLY  HA+          82 GLY  HN          3.50    (#   1823:15  Unique         2.28, 2.57 A)
 &rst
  ixpk= 1823, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1237,1238,
 &end
#
#    0 AMB  15-2:1824    82 GLY  HN          5.50    (#   1824:15  Single Ambig)
 &rst
  ixpk= 1824, nxpk= 15, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 280, 281, 282, 354, 355, 356, 358, 359, 360,
 &end
#
#    0 AMB  15-2:1827     0 AMB  15-1:1827   5.50    (#   1827:15  Double Ambig)
 &rst
  ixpk= 1827, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1= 995,1065,
 igr2=1168,1169,1168,1169,
 &end
#
#    0 AMB  15-2:1828     0 AMB  15-1:1828   5.50    (#   1828:15  Double Ambig)
 &rst
  ixpk= 1828, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1131,1119,
 igr2=1168,1169,1168,1169,
 &end
#
#    0 AMB  15-2:1829    77 ASN  HD2-        5.50    (#   1829:15  Single Ambig)
 &rst
  ixpk= 1829, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 995,1065,
 igr2=1168,1169,
 &end
#
#    0 AMB  15-2:1830    77 ASN  HD2-        5.50    (#   1830:15  Single Ambig)
 &rst
  ixpk= 1830, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1131,1119,
 igr2=1168,1169,
 &end
#
#   66 LEU  MDY          77 ASN  HD2-        5.50    (#   1831:15  Unique         2.18, 5.24 A)
 &rst
  ixpk= 1831, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1002,1003,1004,1006,1007,1008,
 igr2=1168,1169,
 &end
#
#  100 LEU  HB-         101 LEU  HN          5.50    (#   1834:15  Unique         2.56, 3.28 A)
 &rst
  ixpk= 1834, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1511,1512,
 &end
#
#   80 ILE  HG1+         81 GLY  HN          5.50    (#   1835:15  Unique         4.32, 4.75 A)
 &rst
  ixpk= 1835, nxpk= 15, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1219,1220,
 &end
#
#    0 AMB  15-2:1836    93 GLU  HN          5.50    (#   1836:15  Single Ambig)
 &rst
  ixpk= 1836, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1=1357,1358,1359,1361,1362,1363,1357,1358,1359,1361,
      1362,1363,1516,1517,1518,1520,1521,1522,
 &end
#
#    0 AMB  15-2:1837    78 VAL  HN          5.50    (#   1837:15  Single Ambig)
 &rst
  ixpk= 1837, nxpk= 15, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 370, 371, 372, 374, 375, 376,1287,1288,1289,
 &end
#
#    0 AMB  15-2:1838    72 ARG  HN          5.50    (#   1838:15  Single Ambig)
 &rst
  ixpk= 1838, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1065, 995,
 &end
#
#    0 AMB  15-2:1839     0 AMB  15-1:1839   5.50    (#   1839:15  Double Ambig)
 &rst
  ixpk= 1839, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 519, 117,
 igr2= 555, 188,
 &end
#
#    0 AMB  15-2:1840    90 THR  HN          5.50    (#   1840:15  Single Ambig)
 &rst
  ixpk= 1840, nxpk= 15, iat=  -1,1337, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1387,1388,1371,
 &end
#
#   75 VAL  MGY          63 GLN  HE2+        5.50    (#   1841:15  Unique         2.78, 5.57 A)
 &rst
  ixpk= 1841, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=1135,1136,1137,1139,1140,1141,
 igr2= 967, 968,
 &end
#
#    0 AMB  15-2:1842    63 GLN  HE2-        5.50    (#   1842:15  Single Ambig)
 &rst
  ixpk= 1842, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1= 822, 823, 824, 826, 827, 828,1135,1136,1137,1139,
      1140,1141,
 igr2= 967, 968,
 &end
#
#   95 HIS  HA          101 LEU  HN          5.50    (#   1843:15  Unique         3.49, 3.74 A)
 &rst
  ixpk= 1843, nxpk= 15, iat=1422,1526, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 LYS  HG-          38 LYS  HN          4.50    (#   1844:15  Unique         2.20, 2.92 A)
 &rst
  ixpk= 1844, nxpk= 15, iat=  -1, 571, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 578, 579,
 &end
#
#    3 SER  HB+           4 LYS  HN          5.50    (#   1845:15  Unique         2.62, 3.41 A)
 &rst
  ixpk= 1845, nxpk= 15, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  35,  36,
 &end
#
#    4 LYS  HB-           4 LYS  HN          4.50    (#   1846:15  Unique         2.34, 2.74 A)
 &rst
  ixpk= 1846, nxpk= 15, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  46,  47,
 &end
#
#    4 LYS  HA            5 GLN  HN          4.50    (#   1847:15  Unique         3.54, 3.59 A)
 &rst
  ixpk= 1847, nxpk= 15, iat=  44,  64, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 LYS  HB+           5 GLN  HN          4.50    (#   1848:15  Unique         2.68, 3.51 A)
 &rst
  ixpk= 1848, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  46,  47,
 &end
#
#    4 LYS  HG-           5 GLN  HN          5.50    (#   1849:15  Unique         2.69, 4.20 A)
 &rst
  ixpk= 1849, nxpk= 15, iat=  -1,  64, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  49,  50,
 &end
#
#    0 AMB  15-2:1850     6 GLU  HN          3.50    (#   1850:15  Single Ambig)
 &rst
  ixpk= 1850, nxpk= 15, iat=  -1,  81, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  68,  69,  68,  69,
 &end
#
#    0 AMB  15-2:1851     7 LEU  HN          3.50    (#   1851:15  Single Ambig)
 &rst
  ixpk= 1851, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  44,  83,
 &end
#
#    7 LEU  MDY           7 LEU  HN          4.50    (#   1852:15  Unique         4.53, 5.14 A)
 &rst
  ixpk= 1852, nxpk= 15, iat=  -1,  96, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 105, 106, 107, 109, 110, 111,
 &end
#
#    7 LEU  HG            7 LEU  HN          4.50    (#   1853:15  Unique         4.47, 4.50 A)
 &rst
  ixpk= 1853, nxpk= 15, iat= 103,  96, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    7 LEU  MDY           8 ASP  HN          5.50    (#   1854:15  Unique         3.28, 5.31 A)
 &rst
  ixpk= 1854, nxpk= 15, iat=  -1, 115, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 105, 106, 107, 109, 110, 111,
 &end
#
#    8 ASP  HB+          11 LEU  HN          5.50    (#   1855:15  Unique         5.38, 5.50 A)
 &rst
  ixpk= 1855, nxpk= 15, iat=  -1, 147, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 119, 120,
 &end
#
#   10 ALA  HA           12 LYS  HN          5.50    (#   1856:15  Unique         4.42, 4.51 A)
 &rst
  ixpk= 1856, nxpk= 15, iat= 139, 166, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1857     0 AMB  15-1:1857   4.50    (#   1857:15  Double Ambig)
 &rst
  ixpk= 1857, nxpk= 15, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 538, 539, 198, 199, 151, 152,
 igr2= 555, 188,
 &end
#
#   13 LYS  HB+          13 LYS  HN          3.50    (#   1858:15  Unique         2.37, 2.52 A)
 &rst
  ixpk= 1858, nxpk= 15, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 192, 193,
 &end
#
#   16 GLU  HB+          18 ALA  HN          5.50    (#   1859:15  Unique         4.96, 5.43 A)
 &rst
  ixpk= 1859, nxpk= 15, iat=  -1, 276, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 246, 247,
 &end
#
#   20 SER  HB+          19 SER  HN          5.50    (#   1860:15  Unique         4.14, 4.97 A)
 &rst
  ixpk= 1860, nxpk= 15, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 301, 302,
 &end
#
#   17 LEU  HB+          19 SER  HN          5.50    (#   1861:15  Unique         4.82, 5.00 A)
 &rst
  ixpk= 1861, nxpk= 15, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 261, 262,
 &end
#
#    0 AMB  15-2:1862    20 SER  HN          4.50    (#   1862:15  Single Ambig)
 &rst
  ixpk= 1862, nxpk= 15, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 290, 291, 259,
 &end
#
#   20 SER  HB+          20 SER  HN          4.50    (#   1863:15  Unique         2.36, 2.99 A)
 &rst
  ixpk= 1863, nxpk= 15, iat=  -1, 297, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 301, 302,
 &end
#
#   22 PRO  HB-          23 VAL  HN          4.50    (#   1864:15  Unique         3.76, 4.18 A)
 &rst
  ixpk= 1864, nxpk= 15, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 325, 326,
 &end
#
#   25 VAL  MGX          27 SER  HN          5.50    (#   1865:15  Unique         4.26, 6.82 A)
 &rst
  ixpk= 1865, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 370, 371, 372, 374, 375, 376,
 &end
#
#   52 GLU  HA           27 SER  HN          5.50    (#   1866:15  Unique         2.80, 3.13 A)
 &rst
  ixpk= 1866, nxpk= 15, iat= 800, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1867    27 SER  HN          5.50    (#   1867:15  Single Ambig)
 &rst
  ixpk= 1867, nxpk= 15, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 380, 364,
 &end
#
#   29 THR  HN           28 LYS  HN          5.50    (#   1868:15  Unique         4.28, 4.37 A)
 &rst
  ixpk= 1868, nxpk= 15, iat= 433, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 LYS  QG           28 LYS  HN          5.50    (#   1869:15  Unique         3.07, 3.93 A)
 &rst
  ixpk= 1869, nxpk= 15, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 418, 419,
 &end
#
#   35 ASN  HB-          35 ASN  HN          4.50    (#   1870:15  Unique         2.13, 2.58 A)
 &rst
  ixpk= 1870, nxpk= 15, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 521, 522,
 &end
#
#   34 CYS  HB-          35 ASN  HN          5.50    (#   1871:15  Unique         2.43, 3.09 A)
 &rst
  ixpk= 1871, nxpk= 15, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 510, 511,
 &end
#
#    0 AMB  15-2:1872    36 ARG  HN          5.50    (#   1872:15  Single Ambig)
 &rst
  ixpk= 1872, nxpk= 15, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 541, 542, 489, 490,
 &end
#
#    0 AMB  15-2:1873    37 VAL  HN          5.50    (#   1873:15  Single Ambig)
 &rst
  ixpk= 1873, nxpk= 15, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1318,1319, 541, 542,
 &end
#
#   39 GLN  HA           40 LEU  HN          5.50    (#   1874:15  Unique         3.59, 3.61 A)
 &rst
  ixpk= 1874, nxpk= 15, iat= 595, 610, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 LEU  MDY          41 LEU  HN          4.50    (#   1875:15  Unique         3.19, 5.37 A)
 &rst
  ixpk= 1875, nxpk= 15, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   42 THR  HA           42 THR  HN          3.50    (#   1876:15  Unique         2.82, 2.84 A)
 &rst
  ixpk= 1876, nxpk= 15, iat= 650, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  15-2:1877    42 THR  HN          5.50    (#   1877:15  Single Ambig)
 &rst
  ixpk= 1877, nxpk= 15, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 612, 664,
 &end
#
#   45 GLY  HA+          44 VAL  HN          5.50    (#   1878:15  Unique         4.48, 5.01 A)
 &rst
  ixpk= 1878, nxpk= 15, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 697, 698,
 &end
#
#   45 GLY  HA-          44 VAL  HN          5.50    (#   1879:15  Unique         4.48, 5.01 A)
 &rst
  ixpk= 1879, nxpk= 15, iat=  -1, 679, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 697, 698,
 &end
#
#   42 THR  HA           44 VAL  HN          5.50    (#   1880:15  Unique         3.96, 4.54 A)
 &rst
  ixpk= 1880, nxpk= 15, iat= 650, 679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 VAL  HN           49 LYS  HN          5.50    (#   1881:15  Unique         4.39, 4.45 A)
 &rst
  ixpk= 1881, nxpk= 15, iat= 766, 744, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 GLU  HG-          55 GLU  HN          4.50    (#   1882:15  Unique         2.36, 3.76 A)
 &rst
  ixpk= 1882, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 851, 852,
 &end
#
#   56 LEU  MDY          55 GLU  HN          5.50    (#   1883:15  Unique         4.86, 7.00 A)
 &rst
  ixpk= 1883, nxpk= 15, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 868, 869, 870, 872, 873, 874,
 &end
#
#    0 AMB  15-2:1884    56 LEU  HN          4.50    (#   1884:15  Single Ambig)
 &rst
  ixpk= 1884, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 848, 849, 802, 803,
 &end
#
#   56 LEU  MDY          56 LEU  HN          4.50    (#   1885:15  Unique         3.44, 5.16 A)
 &rst
  ixpk= 1885, nxpk= 15, iat=  -1, 859, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 868, 869, 870, 872, 873, 874,
 &end
#
#   57 SER  HN           58 ASP  HN          5.50    (#   1886:15  Unique         2.82, 2.97 A)
 &rst
  ixpk= 1886, nxpk= 15, iat= 878, 889, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 LEU  HG           58 ASP  HN          5.50    (#   1887:15  Unique         1.81, 2.28 A)
 &rst
  ixpk= 1887, nxpk= 15, iat= 866, 889, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1888    62 LEU  HN          5.50    (#   1888:15  Single Ambig)
 &rst
  ixpk= 1888, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 910, 976, 977,
 &end
#
#   61 GLN  HG-          62 LEU  HN          4.50    (#   1889:15  Unique         2.33, 4.51 A)
 &rst
  ixpk= 1889, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 926, 927,
 &end
#
#   61 GLN  HB-          62 LEU  HN          4.50    (#   1890:15  Unique         2.57, 3.42 A)
 &rst
  ixpk= 1890, nxpk= 15, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 923, 924,
 &end
#
#   61 GLN  HA           63 GLN  HN          5.50    (#   1891:15  Unique         4.22, 4.40 A)
 &rst
  ixpk= 1891, nxpk= 15, iat= 921, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 LEU  HG           63 GLN  HN          5.50    (#   1892:15  Unique         4.74, 5.05 A)
 &rst
  ixpk= 1892, nxpk= 15, iat= 943, 955, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 SER  HB-          64 SER  HN          3.50    (#   1893:15  Unique         2.54, 3.09 A)
 &rst
  ixpk= 1893, nxpk= 15, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 976, 977,
 &end
#
#   61 GLN  HA           64 SER  HN          4.50    (#   1894:15  Unique         2.87, 3.12 A)
 &rst
  ixpk= 1894, nxpk= 15, iat= 921, 972, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 LEU  MDY          64 SER  HN          5.50    (#   1895:15  Unique         5.79, 7.87 A)
 &rst
  ixpk= 1895, nxpk= 15, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1002,1003,1004,1006,1007,1008,
 &end
#
#   65 ALA  HA           68 HIS  HN          4.50    (#   1896:15  Unique         3.36, 3.49 A)
 &rst
  ixpk= 1896, nxpk= 15, iat= 985,1022, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 HIS  HB-          68 HIS  HN          3.50    (#   1897:15  Unique         2.06, 2.45 A)
 &rst
  ixpk= 1897, nxpk= 15, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1026,1027,
 &end
#
#   66 LEU  HA            0 AMB  15-1:1898   4.50    (#   1898:15  Single Ambig)
 &rst
  ixpk= 1898, nxpk= 15, iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 993,1039,
 &end
#
#   70 THR  MG2          69 TRP  HN          4.50    (#   1899:15  Unique         4.15, 5.33 A)
 &rst
  ixpk= 1899, nxpk= 15, iat=  -1,1039, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1069,1070,1071,
 &end
#
#   68 HIS  HN           70 THR  HN          5.50    (#   1900:15  Unique         4.41, 4.52 A)
 &rst
  ixpk= 1900, nxpk= 15, iat=1022,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 TRP  HD1          70 THR  HN          5.50    (#   1901:15  Unique         4.78, 4.94 A)
 &rst
  ixpk= 1901, nxpk= 15, iat=1047,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 THR  HB           70 THR  HN          5.50    (#   1902:15  Unique         3.61, 3.67 A)
 &rst
  ixpk= 1902, nxpk= 15, iat=1067,1063, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 THR  HB           71 GLY  HN          5.50    (#   1903:15  Unique         4.01, 4.20 A)
 &rst
  ixpk= 1903, nxpk= 15, iat=1067,1077, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1904    72 ARG  HN          5.50    (#   1904:15  Single Ambig)
 &rst
  ixpk= 1904, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1115, 967, 968,
 &end
#
#   72 ARG  HD+          72 ARG  HN          5.50    (#   1905:15  Unique         4.90, 5.37 A)
 &rst
  ixpk= 1905, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1094,1095,
 &end
#
#   72 ARG  HD-          72 ARG  HN          5.50    (#   1906:15  Unique         4.90, 5.37 A)
 &rst
  ixpk= 1906, nxpk= 15, iat=  -1,1084, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1094,1095,
 &end
#
#    0 AMB  15-2:1907    73 GLY  HN          5.50    (#   1907:15  Single Ambig)
 &rst
  ixpk= 1907, nxpk= 15, iat=  -1,1108, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1084,1168,1169,
 &end
#
#   75 VAL  MGY          75 VAL  HN          3.50    (#   1908:15  Unique         1.99, 3.47 A)
 &rst
  ixpk= 1908, nxpk= 15, iat=  -1,1129, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1135,1136,1137,1139,1140,1141,
 &end
#
#    0 AMB  15-2:1909    81 GLY  HN          5.50    (#   1909:15  Single Ambig)
 &rst
  ixpk= 1909, nxpk= 15, iat=  -1,1228, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1587,1588,1589,1591,1592,1593,1222,1223,1224,
 &end
#
#   87 GLY  HN           86 GLY  HN          5.50    (#   1910:15  Unique         3.99, 4.16 A)
 &rst
  ixpk= 1910, nxpk= 15, iat=1307,1300, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   89 ASP  HN           88 CYS  HN          4.50    (#   1911:15  Unique         2.85, 2.93 A)
 &rst
  ixpk= 1911, nxpk= 15, iat=1325,1314, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 VAL  HN           90 THR  HN          4.50    (#   1912:15  Unique         2.81, 2.83 A)
 &rst
  ixpk= 1912, nxpk= 15, iat=1351,1337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   88 CYS  HA           90 THR  HN          5.50    (#   1913:15  Unique         4.34, 4.41 A)
 &rst
  ixpk= 1913, nxpk= 15, iat=1316,1337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1914    92 VAL  HN          4.50    (#   1914:15  Single Ambig)
 &rst
  ixpk= 1914, nxpk= 15, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1355,1387,1388,
 &end
#
#   92 VAL  MGX          92 VAL  HN          4.50    (#   1915:15  Unique         2.21, 3.81 A)
 &rst
  ixpk= 1915, nxpk= 15, iat=  -1,1367, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1373,1374,1375,1377,1378,1379,
 &end
#
#   93 GLU  HB-          93 GLU  HN          3.50    (#   1916:15  Unique         2.30, 2.48 A)
 &rst
  ixpk= 1916, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1387,1388,
 &end
#
#   92 VAL  MGY          93 GLU  HN          4.50    (#   1917:15  Unique         2.58, 4.57 A)
 &rst
  ixpk= 1917, nxpk= 15, iat=  -1,1383, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1373,1374,1375,1377,1378,1379,
 &end
#
#   94 LYS  HA           95 HIS  HN          5.50    (#   1918:15  Unique         3.58, 3.60 A)
 &rst
  ixpk= 1918, nxpk= 15, iat=1400,1420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96 GLN  HA           95 HIS  HN          5.50    (#   1919:15  Unique         5.25, 5.31 A)
 &rst
  ixpk= 1919, nxpk= 15, iat=1439,1420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 LEU  MDX          95 HIS  HN          5.50    (#   1920:15  Unique         3.74, 5.31 A)
 &rst
  ixpk= 1920, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 619, 620, 621, 623, 624, 625,
 &end
#
#   92 VAL  MGX          95 HIS  HN          5.50    (#   1921:15  Unique         5.40, 6.12 A)
 &rst
  ixpk= 1921, nxpk= 15, iat=  -1,1420, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1373,1374,1375,1377,1378,1379,
 &end
#
#   92 VAL  HA           96 GLN  HN          5.50    (#   1922:15  Unique         3.82, 4.03 A)
 &rst
  ixpk= 1922, nxpk= 15, iat=1369,1437, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 HIS  HA           99 GLU  HN          5.50    (#   1923:15  Unique         3.33, 3.59 A)
 &rst
  ixpk= 1923, nxpk= 15, iat=1422,1492, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1924   100 LEU  HN          5.50    (#   1924:15  Single Ambig)
 &rst
  ixpk= 1924, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1528,1561,
 &end
#
#    0 AMB  15-2:1925   100 LEU  HN          5.50    (#   1925:15  Single Ambig)
 &rst
  ixpk= 1925, nxpk= 15, iat=  -1,1507, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1496,1497,1458,1459,
 &end
#
#    0 AMB  15-2:1926   101 LEU  HN          5.50    (#   1926:15  Single Ambig)
 &rst
  ixpk= 1926, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 8.90, r4= 9.40,
 igr1= 685, 686, 687, 689, 690, 691,1516,1517,1518,1520,
      1521,1522,1516,1517,1518,1520,1521,1522,
 &end
#
#  101 LEU  MDY         101 LEU  HN          5.50    (#   1927:15  Unique         2.62, 4.97 A)
 &rst
  ixpk= 1927, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1535,1536,1537,1539,1540,1541,
 &end
#
#    0 AMB  15-2:1928   101 LEU  HN          5.50    (#   1928:15  Single Ambig)
 &rst
  ixpk= 1928, nxpk= 15, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1549,1550,1563,1564,1582,1583,1496,1497,
 &end
#
#    0 AMB  15-2:1929   105 GLN  HN          5.50    (#   1929:15  Single Ambig)
 &rst
  ixpk= 1929, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1618,1619,1706,1707,
 &end
#
#    0 AMB  15-2:1930   105 GLN  HN          5.50    (#   1930:15  Single Ambig)
 &rst
  ixpk= 1930, nxpk= 15, iat=  -1,1597, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1650,1651,1652,1563,1564,1630,1631,1632,
 &end
#
#    0 AMB  15-2:1931   108 ALA  HN          4.50    (#   1931:15  Single Ambig)
 &rst
  ixpk= 1931, nxpk= 15, iat=  -1,1636, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1628,1742,1672,
 &end
#
#  105 GLN  HB-         108 ALA  HN          5.50    (#   1932:15  Unique         4.70, 5.13 A)
 &rst
  ixpk= 1932, nxpk= 15, iat=  -1,1636, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1601,1602,
 &end
#
#  108 ALA  HN          110 THR  HN          5.50    (#   1935:15  Unique         3.94, 4.32 A)
 &rst
  ixpk= 1935, nxpk= 15, iat=1636,1656, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    0 AMB  15-2:1936   110 THR  HN          3.50    (#   1936:15  Single Ambig)
 &rst
  ixpk= 1936, nxpk= 15, iat=  -1,1656, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1660,1672,
 &end
#
#    0 AMB  15-2:1937   113 ASN  HN          5.50    (#   1937:15  Single Ambig)
 &rst
  ixpk= 1937, nxpk= 15, iat=  -1,1702, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1711,1712,1656,
 &end
#
#  114 PRO  HD-         115 ALA  HN          5.50    (#   1938:15  Unique         2.56, 3.69 A)
 &rst
  ixpk= 1938, nxpk= 15, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1717,1718,
 &end
#
#    0 AMB  15-2:1939   115 ALA  HN          5.50    (#   1939:15  Single Ambig)
 &rst
  ixpk= 1939, nxpk= 15, iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1720,1721,1601,1602,
 &end
#
#   72 ARG  HD+          72 ARG  HE          5.50    (#   1940:15  Unique         2.29, 2.69 A)
 &rst
  ixpk= 1940, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1094,1095,
 &end
#
#    0 AMB  15-2:1941    72 ARG  HE          5.50    (#   1941:15  Single Ambig)
 &rst
  ixpk= 1941, nxpk= 15, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1088,1089,1091,1092,
 &end
#
#   27 SER  HN           28 LYS  HN          5.50    (#   1942:15  Unique         4.33, 4.36 A)
 &rst
  ixpk= 1942, nxpk= 15, iat= 400, 411, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           H1       MET   1  24.430  11.731  -5.387
    2   2H    MET   1           H2       MET   1  24.682  10.609  -4.229
    3   3H    MET   1           H3       MET   1  25.430  10.469  -5.686
    4    HA   MET   1           HA       MET   1  23.320  10.157  -6.794
    5   1HB   MET   1          2HB       MET   1  23.850   8.243  -4.478
    6   2HB   MET   1          3HB       MET   1  22.638   7.957  -5.720
    7   1HG   MET   1          2HG       MET   1  25.626   8.245  -6.184
    8   2HG   MET   1          3HG       MET   1  24.704   6.754  -6.216
    9   1HE   MET   1          1HE       MET   1  23.190   5.932  -8.147
   10   2HE   MET   1          2HE       MET   1  22.094   7.318  -7.924
   11   3HE   MET   1          3HE       MET   1  22.705   6.918  -9.542
   12    H    ALA   2           H        ALA   2  21.127  10.447  -6.806
   13    HA   ALA   2           HA       ALA   2  19.791  11.795  -4.633
   14   1HB   ALA   2          1HB       ALA   2  17.784  11.480  -6.039
   15   2HB   ALA   2          2HB       ALA   2  19.141  12.073  -7.012
   16   3HB   ALA   2          3HB       ALA   2  18.672  10.356  -7.087
   17    H    SER   3           H        SER   3  17.872  10.914  -3.527
   18    HA   SER   3           HA       SER   3  18.376   8.451  -2.214
   19   1HB   SER   3          2HB       SER   3  15.855  10.148  -2.138
   20   2HB   SER   3          3HB       SER   3  16.487   9.099  -0.859
   21    HG   SER   3           HG       SER   3  18.228  10.524  -0.608
   22    H    LYS   4           H        LYS   4  17.958   7.885  -5.038
   23    HA   LYS   4           HA       LYS   4  15.265   7.275  -5.688
   24   1HB   LYS   4          2HB       LYS   4  17.131   7.623  -7.303
   25   2HB   LYS   4          3HB       LYS   4  17.813   6.054  -6.844
   26   1HG   LYS   4          2HG       LYS   4  15.735   4.925  -7.615
   27   2HG   LYS   4          3HG       LYS   4  15.036   6.487  -8.052
   28   1HD   LYS   4          2HD       LYS   4  17.560   5.278  -9.270
   29   2HD   LYS   4          3HD       LYS   4  15.942   5.200  -9.981
   30   1HE   LYS   4          2HE       LYS   4  15.867   7.694 -10.074
   31   2HE   LYS   4          3HE       LYS   4  17.513   7.759  -9.429
   32   1HZ   LYS   4          1HZ       LYS   4  18.261   6.563 -11.407
   33   2HZ   LYS   4          2HZ       LYS   4  16.739   6.512 -12.002
   34   3HZ   LYS   4          3HZ       LYS   4  17.500   7.939 -11.830
   35    H    GLN   5           H        GLN   5  17.829   5.151  -4.261
   36    HA   GLN   5           HA       GLN   5  16.129   2.839  -4.447
   37   1HB   GLN   5          2HB       GLN   5  18.584   2.676  -4.364
   38   2HB   GLN   5          3HB       GLN   5  18.587   3.301  -2.712
   39   1HG   GLN   5          2HG       GLN   5  18.860   0.844  -2.799
   40   2HG   GLN   5          3HG       GLN   5  17.430   1.313  -1.897
   41   1HE2  GLN   5          2HE2      GLN   5  15.331   0.871  -2.796
   42   2HE2  GLN   5          1HE2      GLN   5  15.070  -0.177  -4.169
   43    H    GLU   6           H        GLU   6  16.560   5.382  -1.949
   44    HA   GLU   6           HA       GLU   6  15.075   3.991   0.091
   45   1HB   GLU   6          2HB       GLU   6  15.624   6.961  -0.380
   46   2HB   GLU   6          3HB       GLU   6  14.817   6.307   1.036
   47   1HG   GLU   6          2HG       GLU   6  17.110   6.729   1.593
   48   2HG   GLU   6          3HG       GLU   6  16.794   4.999   1.641
   49    H    LEU   7           H        LEU   7  14.206   6.319  -2.503
   50    HA   LEU   7           HA       LEU   7  11.433   6.473  -1.904
   51   1HB   LEU   7          2HB       LEU   7  12.665   8.030  -3.400
   52   2HB   LEU   7          3HB       LEU   7  12.883   6.731  -4.572
   53    HG   LEU   7           HG       LEU   7  10.407   6.590  -4.882
   54   1HD1  LEU   7          1HD1      LEU   7   9.016   8.501  -4.018
   55   2HD1  LEU   7          2HD1      LEU   7   9.577   7.418  -2.737
   56   3HD1  LEU   7          3HD1      LEU   7  10.376   8.987  -2.986
   57   1HD2  LEU   7          1HD2      LEU   7  11.805   7.981  -6.356
   58   2HD2  LEU   7          2HD2      LEU   7  10.201   8.696  -6.135
   59   3HD2  LEU   7          3HD2      LEU   7  11.599   9.368  -5.265
   60    H    ASP   8           H        ASP   8  13.252   4.269  -4.110
   61    HA   ASP   8           HA       ASP   8  11.043   2.743  -5.000
   62   1HB   ASP   8          2HB       ASP   8  13.168   2.655  -6.134
   63   2HB   ASP   8          3HB       ASP   8  13.985   2.095  -4.677
   64    H    ALA   9           H        ALA   9  13.111   2.334  -2.071
   65    HA   ALA   9           HA       ALA   9  11.896  -0.155  -1.307
   66   1HB   ALA   9          1HB       ALA   9  12.933   0.297   0.896
   67   2HB   ALA   9          2HB       ALA   9  14.085   0.584  -0.422
   68   3HB   ALA   9          3HB       ALA   9  13.306   1.959   0.397
   69    H    ALA  10           H        ALA  10  11.193   3.290  -0.448
   70    HA   ALA  10           HA       ALA  10   9.001   2.672   1.286
   71   1HB   ALA  10          1HB       ALA  10   9.582   5.170  -0.359
   72   2HB   ALA  10          2HB       ALA  10   8.349   5.031   0.919
   73   3HB   ALA  10          3HB       ALA  10  10.069   4.864   1.321
   74    H    LEU  11           H        LEU  11   9.169   3.210  -2.271
   75    HA   LEU  11           HA       LEU  11   6.373   2.973  -2.784
   76   1HB   LEU  11          2HB       LEU  11   7.933   3.902  -4.371
   77   2HB   LEU  11          3HB       LEU  11   8.862   2.428  -4.445
   78    HG   LEU  11           HG       LEU  11   7.418   3.007  -6.410
   79   1HD1  LEU  11          1HD1      LEU  11   6.949   0.778  -7.015
   80   2HD1  LEU  11          2HD1      LEU  11   8.393   0.745  -6.000
   81   3HD1  LEU  11          3HD1      LEU  11   6.825   0.235  -5.332
   82   1HD2  LEU  11          1HD2      LEU  11   5.413   3.665  -5.051
   83   2HD2  LEU  11          2HD2      LEU  11   5.083   2.608  -6.438
   84   3HD2  LEU  11          3HD2      LEU  11   5.077   1.946  -4.793
   85    H    LYS  12           H        LYS  12   8.941   0.436  -2.695
   86    HA   LYS  12           HA       LYS  12   7.188  -1.710  -3.225
   87   1HB   LYS  12          2HB       LYS  12   9.647  -1.865  -3.271
   88   2HB   LYS  12          3HB       LYS  12   9.728  -1.599  -1.527
   89   1HG   LYS  12          2HG       LYS  12   8.556  -3.728  -1.117
   90   2HG   LYS  12          3HG       LYS  12   8.402  -3.993  -2.868
   91   1HD   LYS  12          2HD       LYS  12  10.852  -4.062  -3.100
   92   2HD   LYS  12          3HD       LYS  12  11.052  -3.685  -1.374
   93   1HE   LYS  12          2HE       LYS  12   9.886  -5.767  -0.762
   94   2HE   LYS  12          3HE       LYS  12   9.635  -6.152  -2.472
   95   1HZ   LYS  12          1HZ       LYS  12  12.277  -5.945  -1.142
   96   2HZ   LYS  12          2HZ       LYS  12  11.537  -7.331  -1.571
   97   3HZ   LYS  12          3HZ       LYS  12  12.046  -6.298  -2.723
   98    H    LYS  13           H        LYS  13   8.081  -0.225  -0.044
   99    HA   LYS  13           HA       LYS  13   6.340  -1.958   1.417
  100   1HB   LYS  13          2HB       LYS  13   8.197  -0.733   2.433
  101   2HB   LYS  13          3HB       LYS  13   7.352   0.804   2.201
  102   1HG   LYS  13          2HG       LYS  13   5.670   0.271   3.765
  103   2HG   LYS  13          3HG       LYS  13   5.970  -1.461   3.689
  104   1HD   LYS  13          2HD       LYS  13   7.933   0.540   4.870
  105   2HD   LYS  13          3HD       LYS  13   6.712  -0.299   5.821
  106   1HE   LYS  13          2HE       LYS  13   8.888  -1.701   4.195
  107   2HE   LYS  13          3HE       LYS  13   8.998  -1.335   5.915
  108   1HZ   LYS  13          1HZ       LYS  13   8.276  -3.578   5.609
  109   2HZ   LYS  13          2HZ       LYS  13   7.045  -2.750   6.271
  110   3HZ   LYS  13          3HZ       LYS  13   7.001  -3.174   4.683
  111    H    ALA  14           H        ALA  14   5.671   1.165  -0.260
  112    HA   ALA  14           HA       ALA  14   3.054   1.483   0.789
  113   1HB   ALA  14          1HB       ALA  14   4.253   3.243  -0.509
  114   2HB   ALA  14          2HB       ALA  14   4.035   2.275  -1.987
  115   3HB   ALA  14          3HB       ALA  14   2.622   2.897  -1.125
  116    H    LYS  15           H        LYS  15   4.211  -0.330  -2.126
  117    HA   LYS  15           HA       LYS  15   1.618  -1.263  -2.891
  118   1HB   LYS  15          2HB       LYS  15   4.397  -2.435  -3.344
  119   2HB   LYS  15          3HB       LYS  15   2.913  -3.106  -4.038
  120   1HG   LYS  15          2HG       LYS  15   2.440  -1.014  -5.196
  121   2HG   LYS  15          3HG       LYS  15   3.893  -0.258  -4.517
  122   1HD   LYS  15          2HD       LYS  15   5.309  -1.905  -5.693
  123   2HD   LYS  15          3HD       LYS  15   3.857  -2.722  -6.318
  124   1HE   LYS  15          2HE       LYS  15   3.184  -0.603  -7.460
  125   2HE   LYS  15          3HE       LYS  15   4.670   0.166  -6.893
  126   1HZ   LYS  15          1HZ       LYS  15   4.912  -0.655  -9.154
  127   2HZ   LYS  15          2HZ       LYS  15   5.918  -1.501  -8.187
  128   3HZ   LYS  15          3HZ       LYS  15   4.528  -2.173  -8.717
  129    H    GLU  16           H        GLU  16   4.081  -2.685  -0.701
  130    HA   GLU  16           HA       GLU  16   2.704  -5.064  -0.060
  131   1HB   GLU  16          2HB       GLU  16   5.033  -4.666   0.512
  132   2HB   GLU  16          3HB       GLU  16   4.597  -3.308   1.544
  133   1HG   GLU  16          2HG       GLU  16   3.438  -4.827   3.108
  134   2HG   GLU  16          3HG       GLU  16   3.848  -6.199   2.071
  135    H    LEU  17           H        LEU  17   2.621  -1.873   1.636
  136    HA   LEU  17           HA       LEU  17   0.681  -2.549   3.572
  137   1HB   LEU  17          2HB       LEU  17   1.473   0.076   2.261
  138   2HB   LEU  17          3HB       LEU  17   0.240   0.014   3.513
  139    HG   LEU  17           HG       LEU  17   3.009  -1.147   3.977
  140   1HD1  LEU  17          1HD1      LEU  17   2.124   1.705   4.553
  141   2HD1  LEU  17          2HD1      LEU  17   3.648   0.957   5.059
  142   3HD1  LEU  17          3HD1      LEU  17   3.310   1.197   3.339
  143   1HD2  LEU  17          1HD2      LEU  17   0.853  -0.134   5.882
  144   2HD2  LEU  17          2HD2      LEU  17   1.282  -1.836   5.589
  145   3HD2  LEU  17          3HD2      LEU  17   2.448  -0.756   6.354
  146    H    ALA  18           H        ALA  18   0.257  -1.077   0.329
  147    HA   ALA  18           HA       ALA  18  -2.543  -0.814   0.361
  148   1HB   ALA  18          1HB       ALA  18  -1.036   0.297  -1.262
  149   2HB   ALA  18          2HB       ALA  18  -0.670  -1.280  -1.996
  150   3HB   ALA  18          3HB       ALA  18  -2.314  -0.620  -2.081
  151    H    SER  19           H        SER  19  -0.697  -3.737   0.199
  152    HA   SER  19           HA       SER  19  -3.008  -5.254  -0.927
  153   1HB   SER  19          2HB       SER  19  -0.073  -6.040  -0.916
  154   2HB   SER  19          3HB       SER  19  -1.402  -6.806  -1.804
  155    HG   SER  19           HG       SER  19  -0.127  -4.322  -2.216
  156    H    SER  20           H        SER  20  -1.651  -4.508   2.021
  157    HA   SER  20           HA       SER  20  -1.390  -7.141   3.185
  158   1HB   SER  20          2HB       SER  20  -1.629  -4.352   4.379
  159   2HB   SER  20          3HB       SER  20  -1.257  -5.814   5.309
  160    HG   SER  20           HG       SER  20   0.279  -4.977   3.055
  161    H    ALA  21           H        ALA  21  -4.179  -5.333   2.329
  162    HA   ALA  21           HA       ALA  21  -5.946  -7.185   3.722
  163   1HB   ALA  21          1HB       ALA  21  -6.019  -4.158   4.169
  164   2HB   ALA  21          2HB       ALA  21  -7.318  -5.253   4.649
  165   3HB   ALA  21          3HB       ALA  21  -5.726  -5.401   5.406
  166    HA   PRO  22           HA       PRO  22  -8.041  -6.557  -0.135
  167   1HB   PRO  22          2HB       PRO  22 -10.745  -6.566   0.448
  168   2HB   PRO  22          3HB       PRO  22  -9.704  -8.021   0.451
  169   1HG   PRO  22          2HG       PRO  22 -10.501  -6.292   2.814
  170   2HG   PRO  22          3HG       PRO  22 -10.556  -8.081   2.682
  171   1HD   PRO  22          2HD       PRO  22  -8.494  -6.857   3.904
  172   2HD   PRO  22          3HD       PRO  22  -8.188  -8.249   2.831
  173    H    VAL  23           H        VAL  23  -8.605  -4.208   2.425
  174    HA   VAL  23           HA       VAL  23  -8.884  -2.095   0.414
  175    HB   VAL  23           HB       VAL  23 -10.647  -2.325   2.882
  176   1HG1  VAL  23          1HG1      VAL  23 -10.556  -0.200   0.698
  177   2HG1  VAL  23          2HG1      VAL  23 -11.832  -0.334   1.923
  178   3HG1  VAL  23          3HG1      VAL  23 -10.173   0.023   2.412
  179   1HG2  VAL  23          1HG2      VAL  23 -11.447  -3.870   1.179
  180   2HG2  VAL  23          2HG2      VAL  23 -12.556  -2.522   1.397
  181   3HG2  VAL  23          3HG2      VAL  23 -11.480  -2.565  -0.021
  182    H    VAL  24           H        VAL  24  -7.741  -0.242   1.110
  183    HA   VAL  24           HA       VAL  24  -6.504  -0.292   3.805
  184    HB   VAL  24           HB       VAL  24  -4.948   0.008   1.193
  185   1HG1  VAL  24          1HG1      VAL  24  -2.948  -0.083   2.654
  186   2HG1  VAL  24          2HG1      VAL  24  -3.959   1.301   3.049
  187   3HG1  VAL  24          3HG1      VAL  24  -3.989  -0.144   4.087
  188   1HG2  VAL  24          1HG2      VAL  24  -3.861  -2.144   1.808
  189   2HG2  VAL  24          2HG2      VAL  24  -5.021  -2.349   3.121
  190   3HG2  VAL  24          3HG2      VAL  24  -5.551  -2.349   1.422
  191    H    VAL  25           H        VAL  25  -6.383   1.721   4.647
  192    HA   VAL  25           HA       VAL  25  -7.069   4.060   2.943
  193    HB   VAL  25           HB       VAL  25  -7.852   3.488   5.833
  194   1HG1  VAL  25          1HG1      VAL  25  -9.340   5.450   5.559
  195   2HG1  VAL  25          2HG1      VAL  25  -7.645   5.901   5.360
  196   3HG1  VAL  25          3HG1      VAL  25  -8.679   5.729   3.929
  197   1HG2  VAL  25          1HG2      VAL  25  -9.093   1.989   4.353
  198   2HG2  VAL  25          2HG2      VAL  25 -10.159   3.252   4.965
  199   3HG2  VAL  25          3HG2      VAL  25  -9.541   3.349   3.300
  200    H    PHE  26           H        PHE  26  -4.998   4.767   2.569
  201    HA   PHE  26           HA       PHE  26  -3.044   5.187   4.719
  202   1HB   PHE  26          2HB       PHE  26  -3.260   6.359   1.917
  203   2HB   PHE  26          3HB       PHE  26  -1.915   6.601   3.019
  204    HD1  PHE  26           1HD      PHE  26  -0.457   4.638   3.688
  205    HD2  PHE  26           2HD      PHE  26  -3.426   4.333   0.580
  206    HE1  PHE  26           1HE      PHE  26   0.659   2.591   2.822
  207    HE2  PHE  26           2HE      PHE  26  -2.308   2.291  -0.282
  208    HZ   PHE  26           HZ       PHE  26  -0.264   1.424   0.832
  209    H    SER  27           H        SER  27  -3.028   7.025   6.031
  210    HA   SER  27           HA       SER  27  -4.942   9.225   5.536
  211   1HB   SER  27          2HB       SER  27  -5.972   8.563   7.858
  212   2HB   SER  27          3HB       SER  27  -6.482   7.696   6.412
  213    HG   SER  27           HG       SER  27  -5.285   5.966   6.978
  214    H    LYS  28           H        LYS  28  -5.019  10.362   7.999
  215    HA   LYS  28           HA       LYS  28  -2.343  10.333   9.201
  216   1HB   LYS  28          2HB       LYS  28  -3.697  12.821   8.115
  217   2HB   LYS  28          3HB       LYS  28  -2.562  12.903   9.468
  218   1HG   LYS  28          2HG       LYS  28  -0.825  11.785   8.066
  219   2HG   LYS  28          3HG       LYS  28  -1.944  11.832   6.693
  220   1HD   LYS  28          2HD       LYS  28  -2.074  14.369   7.059
  221   2HD   LYS  28          3HD       LYS  28  -0.726  14.208   8.184
  222   1HE   LYS  28          2HE       LYS  28  -0.698  13.324   5.255
  223   2HE   LYS  28          3HE       LYS  28  -0.110  14.884   5.819
  224   1HZ   LYS  28          1HZ       LYS  28   1.030  12.304   6.719
  225   2HZ   LYS  28          2HZ       LYS  28   1.612  13.197   5.484
  226   3HZ   LYS  28          3HZ       LYS  28   1.631  13.807   7.011
  227    H    THR  29           H        THR  29  -2.510  11.622  11.309
  228    HA   THR  29           HA       THR  29  -4.228  10.051  12.886
  229    HB   THR  29           HB       THR  29  -3.052  11.621  14.679
  230    HG1  THR  29           1HG      THR  29  -1.024  12.358  13.503
  231   1HG2  THR  29          1HG2      THR  29  -2.405   9.296  14.244
  232   2HG2  THR  29          2HG2      THR  29  -1.480   9.785  12.813
  233   3HG2  THR  29          3HG2      THR  29  -0.972  10.316  14.434
  234    H    TYR  30           H        TYR  30  -4.934  13.227  11.580
  235    HA   TYR  30           HA       TYR  30  -7.043  13.537  13.677
  236   1HB   TYR  30          2HB       TYR  30  -6.419  15.852  13.945
  237   2HB   TYR  30          3HB       TYR  30  -5.047  14.818  14.287
  238    HD1  TYR  30           1HD      TYR  30  -3.065  14.774  12.770
  239    HD2  TYR  30           2HD      TYR  30  -6.465  17.310  11.951
  240    HE1  TYR  30           1HE      TYR  30  -1.732  16.011  11.102
  241    HE2  TYR  30           2HE      TYR  30  -5.161  18.510  10.231
  242    HH   TYR  30           HH       TYR  30  -1.710  17.742   9.536
  243    H    CYS  31           H        CYS  31  -6.225  14.048  10.239
  244    HA   CYS  31           HA       CYS  31  -7.913  16.076   9.665
  245   1HB   CYS  31          2HB       CYS  31  -7.365  13.711   7.850
  246   2HB   CYS  31          3HB       CYS  31  -7.710  15.386   7.373
  247    H    GLY  32           H        GLY  32  -9.994  16.445   9.416
  248   1HA   GLY  32          1HA       GLY  32 -12.074  14.729  10.187
  249   2HA   GLY  32          2HA       GLY  32 -12.247  16.185   9.188
  250    H    TYR  33           H        TYR  33 -10.656  15.301   6.926
  251    HA   TYR  33           HA       TYR  33 -12.548  13.732   5.485
  252   1HB   TYR  33          2HB       TYR  33  -9.625  14.354   4.895
  253   2HB   TYR  33          3HB       TYR  33 -10.743  13.609   3.767
  254    HD1  TYR  33           1HD      TYR  33  -9.413  16.727   4.875
  255    HD2  TYR  33           2HD      TYR  33 -12.985  14.907   3.266
  256    HE1  TYR  33           1HE      TYR  33 -10.188  18.943   4.092
  257    HE2  TYR  33           2HE      TYR  33 -13.758  17.113   2.469
  258    HH   TYR  33           HH       TYR  33 -13.293  19.396   2.332
  259    H    CYS  34           H        CYS  34  -9.556  12.779   7.258
  260    HA   CYS  34           HA       CYS  34  -9.559  10.056   6.226
  261   1HB   CYS  34          2HB       CYS  34  -8.285  11.289   8.717
  262   2HB   CYS  34          3HB       CYS  34  -8.082   9.610   8.204
  263    HG   CYS  34           HG       CYS  34  -7.434  12.331   6.400
  264    H    ASN  35           H        ASN  35 -10.810  11.658   9.203
  265    HA   ASN  35           HA       ASN  35 -12.101   9.363  10.291
  266   1HB   ASN  35          2HB       ASN  35 -11.988  11.268  11.689
  267   2HB   ASN  35          3HB       ASN  35 -12.653  12.339  10.460
  268   1HD2  ASN  35          2HD2      ASN  35 -14.869  12.715  10.440
  269   2HD2  ASN  35          1HD2      ASN  35 -16.019  11.809  11.384
  270    H    ARG  36           H        ARG  36 -13.350  11.741   7.887
  271    HA   ARG  36           HA       ARG  36 -15.938  10.673   7.662
  272   1HB   ARG  36          2HB       ARG  36 -15.109  12.859   6.734
  273   2HB   ARG  36          3HB       ARG  36 -14.285  11.972   5.445
  274   1HG   ARG  36          2HG       ARG  36 -16.515  11.037   4.729
  275   2HG   ARG  36          3HG       ARG  36 -17.293  12.045   5.956
  276   1HD   ARG  36          2HD       ARG  36 -15.612  13.027   3.606
  277   2HD   ARG  36          3HD       ARG  36 -17.381  13.058   3.704
  278    HE   ARG  36           HE       ARG  36 -16.385  14.439   5.952
  279   1HH1  ARG  36          1HH2      ARG  36 -16.532  14.864   2.430
  280   2HH1  ARG  36          2HH2      ARG  36 -16.507  16.586   2.494
  281   1HH2  ARG  36          1HH1      ARG  36 -16.302  16.736   6.037
  282   2HH2  ARG  36          2HH1      ARG  36 -16.350  17.668   4.592
  283    H    VAL  37           H        VAL  37 -12.986   9.819   5.738
  284    HA   VAL  37           HA       VAL  37 -14.326   7.866   4.150
  285    HB   VAL  37           HB       VAL  37 -11.417   8.354   4.884
  286   1HG1  VAL  37          1HG1      VAL  37 -11.556   5.950   4.378
  287   2HG1  VAL  37          2HG1      VAL  37 -12.458   6.300   2.887
  288   3HG1  VAL  37          3HG1      VAL  37 -10.767   6.835   3.078
  289   1HG2  VAL  37          1HG2      VAL  37 -12.430  10.046   3.453
  290   2HG2  VAL  37          2HG2      VAL  37 -11.405   9.017   2.431
  291   3HG2  VAL  37          3HG2      VAL  37 -13.163   8.812   2.422
  292    H    LYS  38           H        LYS  38 -12.489   7.487   7.246
  293    HA   LYS  38           HA       LYS  38 -12.818   4.681   7.455
  294   1HB   LYS  38          2HB       LYS  38 -12.718   6.837   9.608
  295   2HB   LYS  38          3HB       LYS  38 -12.726   5.106   9.953
  296   1HG   LYS  38          2HG       LYS  38 -10.612   4.776   8.787
  297   2HG   LYS  38          3HG       LYS  38 -10.618   6.424   8.181
  298   1HD   LYS  38          2HD       LYS  38  -9.065   6.264  10.012
  299   2HD   LYS  38          3HD       LYS  38 -10.418   7.301  10.484
  300   1HE   LYS  38          2HE       LYS  38 -11.441   5.376  11.716
  301   2HE   LYS  38          3HE       LYS  38 -10.078   4.357  11.240
  302   1HZ   LYS  38          1HZ       LYS  38  -9.788   5.232  13.465
  303   2HZ   LYS  38          2HZ       LYS  38  -8.622   5.847  12.509
  304   3HZ   LYS  38          3HZ       LYS  38  -9.896   6.772  12.953
  305    H    GLN  39           H        GLN  39 -15.077   7.295   8.594
  306    HA   GLN  39           HA       GLN  39 -17.050   5.411   9.467
  307   1HB   GLN  39          2HB       GLN  39 -17.288   8.347   8.682
  308   2HB   GLN  39          3HB       GLN  39 -18.617   7.367   9.319
  309   1HG   GLN  39          2HG       GLN  39 -17.182   6.850  11.348
  310   2HG   GLN  39          3HG       GLN  39 -16.002   8.007  10.746
  311   1HE2  GLN  39          2HE2      GLN  39 -16.168   9.661  12.294
  312   2HE2  GLN  39          1HE2      GLN  39 -17.684  10.430  12.738
  313    H    LEU  40           H        LEU  40 -16.534   6.943   6.256
  314    HA   LEU  40           HA       LEU  40 -18.965   6.206   5.047
  315   1HB   LEU  40          2HB       LEU  40 -17.099   7.720   4.153
  316   2HB   LEU  40          3HB       LEU  40 -16.216   6.261   3.732
  317    HG   LEU  40           HG       LEU  40 -18.225   5.628   2.234
  318   1HD1  LEU  40          1HD1      LEU  40 -18.935   8.535   2.848
  319   2HD1  LEU  40          2HD1      LEU  40 -19.589   7.600   1.496
  320   3HD1  LEU  40          3HD1      LEU  40 -19.944   7.102   3.156
  321   1HD2  LEU  40          1HD2      LEU  40 -16.647   8.151   1.622
  322   2HD2  LEU  40          2HD2      LEU  40 -16.100   6.479   1.370
  323   3HD2  LEU  40          3HD2      LEU  40 -17.468   7.098   0.441
  324    H    LEU  41           H        LEU  41 -15.844   4.443   5.159
  325    HA   LEU  41           HA       LEU  41 -16.809   2.093   3.798
  326   1HB   LEU  41          2HB       LEU  41 -14.330   2.918   5.301
  327   2HB   LEU  41          3HB       LEU  41 -14.621   1.204   5.079
  328    HG   LEU  41           HG       LEU  41 -14.662   1.373   2.688
  329   1HD1  LEU  41          1HD1      LEU  41 -14.305   4.385   2.996
  330   2HD1  LEU  41          2HD1      LEU  41 -14.136   3.477   1.475
  331   3HD1  LEU  41          3HD1      LEU  41 -15.703   3.548   2.278
  332   1HD2  LEU  41          1HD2      LEU  41 -12.339   2.064   2.284
  333   2HD2  LEU  41          2HD2      LEU  41 -12.324   2.966   3.816
  334   3HD2  LEU  41          3HD2      LEU  41 -12.469   1.197   3.825
  335    H    THR  42           H        THR  42 -16.473   2.945   7.274
  336    HA   THR  42           HA       THR  42 -17.170   0.395   8.299
  337    HB   THR  42           HB       THR  42 -17.729   3.153   9.476
  338    HG1  THR  42           1HG      THR  42 -15.605   2.994   9.096
  339   1HG2  THR  42          1HG2      THR  42 -17.551   1.994  11.668
  340   2HG2  THR  42          2HG2      THR  42 -18.944   1.435  10.729
  341   3HG2  THR  42          3HG2      THR  42 -17.479   0.427  10.825
  342    H    GLN  43           H        GLN  43 -19.271   3.165   7.323
  343    HA   GLN  43           HA       GLN  43 -21.651   2.034   8.366
  344   1HB   GLN  43          2HB       GLN  43 -21.094   4.131   6.246
  345   2HB   GLN  43          3HB       GLN  43 -22.747   3.642   6.628
  346   1HG   GLN  43          2HG       GLN  43 -22.572   4.337   8.912
  347   2HG   GLN  43          3HG       GLN  43 -20.829   4.567   8.802
  348   1HE2  GLN  43          2HE2      GLN  43 -20.045   6.238   7.266
  349   2HE2  GLN  43          1HE2      GLN  43 -21.001   7.702   7.036
  350    H    VAL  44           H        VAL  44 -20.215   1.725   5.048
  351    HA   VAL  44           HA       VAL  44 -22.465   0.146   4.143
  352    HB   VAL  44           HB       VAL  44 -21.052  -0.438   2.211
  353   1HG1  VAL  44          1HG1      VAL  44 -21.000   1.808   1.258
  354   2HG1  VAL  44          2HG1      VAL  44 -22.455   1.599   2.246
  355   3HG1  VAL  44          3HG1      VAL  44 -21.082   2.540   2.873
  356   1HG2  VAL  44          1HG2      VAL  44 -18.798  -0.420   3.231
  357   2HG2  VAL  44          2HG2      VAL  44 -18.905   0.678   1.846
  358   3HG2  VAL  44          3HG2      VAL  44 -18.931   1.336   3.482
  359    H    GLY  45           H        GLY  45 -19.690  -0.596   6.106
  360   1HA   GLY  45          1HA       GLY  45 -19.722  -2.497   7.485
  361   2HA   GLY  45          2HA       GLY  45 -20.604  -3.418   6.260
  362    H    ALA  46           H        ALA  46 -17.795  -1.442   5.342
  363    HA   ALA  46           HA       ALA  46 -16.483  -3.702   4.134
  364   1HB   ALA  46          1HB       ALA  46 -16.381  -1.386   3.225
  365   2HB   ALA  46          2HB       ALA  46 -15.470  -0.887   4.666
  366   3HB   ALA  46          3HB       ALA  46 -14.770  -2.059   3.536
  367    H    SER  47           H        SER  47 -14.243  -4.186   4.558
  368    HA   SER  47           HA       SER  47 -13.333  -4.047   7.391
  369   1HB   SER  47          2HB       SER  47 -12.794  -6.347   5.471
  370   2HB   SER  47          3HB       SER  47 -12.566  -6.300   7.227
  371    HG   SER  47           HG       SER  47 -14.959  -6.387   5.707
  372    H    TYR  48           H        TYR  48 -11.440  -2.841   7.405
  373    HA   TYR  48           HA       TYR  48  -9.753  -2.762   4.988
  374   1HB   TYR  48          2HB       TYR  48  -9.927  -0.310   4.889
  375   2HB   TYR  48          3HB       TYR  48 -11.471  -1.082   4.579
  376    HD1  TYR  48           1HD      TYR  48  -9.612   1.122   6.835
  377    HD2  TYR  48           2HD      TYR  48 -13.351  -0.935   6.211
  378    HE1  TYR  48           1HE      TYR  48 -10.674   2.485   8.619
  379    HE2  TYR  48           2HE      TYR  48 -14.419   0.446   7.975
  380    HH   TYR  48           HH       TYR  48 -14.068   2.073   9.625
  381    H    LYS  49           H        LYS  49  -7.696  -2.025   5.324
  382    HA   LYS  49           HA       LYS  49  -6.691  -1.870   8.114
  383   1HB   LYS  49          2HB       LYS  49  -5.524  -3.243   6.411
  384   2HB   LYS  49          3HB       LYS  49  -5.300  -1.820   5.389
  385   1HG   LYS  49          2HG       LYS  49  -3.805  -0.828   7.082
  386   2HG   LYS  49          3HG       LYS  49  -4.121  -2.195   8.174
  387   1HD   LYS  49          2HD       LYS  49  -3.118  -3.740   6.476
  388   2HD   LYS  49          3HD       LYS  49  -2.835  -2.363   5.408
  389   1HE   LYS  49          2HE       LYS  49  -0.758  -2.898   6.485
  390   2HE   LYS  49          3HE       LYS  49  -1.322  -1.347   7.107
  391   1HZ   LYS  49          1HZ       LYS  49  -0.499  -2.801   8.866
  392   2HZ   LYS  49          2HZ       LYS  49  -2.078  -2.503   9.113
  393   3HZ   LYS  49          3HZ       LYS  49  -1.597  -3.949   8.517
  394    H    VAL  50           H        VAL  50  -5.448   0.022   8.771
  395    HA   VAL  50           HA       VAL  50  -6.002   2.520   7.259
  396    HB   VAL  50           HB       VAL  50  -6.183   2.122  10.276
  397   1HG1  VAL  50          1HG1      VAL  50  -6.818   4.576   8.560
  398   2HG1  VAL  50          2HG1      VAL  50  -6.987   4.456  10.325
  399   3HG1  VAL  50          3HG1      VAL  50  -5.386   4.397   9.587
  400   1HG2  VAL  50          1HG2      VAL  50  -8.593   2.689  10.008
  401   2HG2  VAL  50          2HG2      VAL  50  -8.384   2.639   8.242
  402   3HG2  VAL  50          3HG2      VAL  50  -8.186   1.167   9.223
  403    H    VAL  51           H        VAL  51  -4.193   3.825   7.137
  404    HA   VAL  51           HA       VAL  51  -1.695   2.917   8.474
  405    HB   VAL  51           HB       VAL  51  -1.946   3.505   5.497
  406   1HG1  VAL  51          1HG1      VAL  51   0.305   2.619   5.380
  407   2HG1  VAL  51          2HG1      VAL  51   0.275   3.913   6.576
  408   3HG1  VAL  51          3HG1      VAL  51   0.302   2.224   7.115
  409   1HG2  VAL  51          1HG2      VAL  51  -3.124   1.408   5.852
  410   2HG2  VAL  51          2HG2      VAL  51  -1.555   1.083   5.122
  411   3HG2  VAL  51          3HG2      VAL  51  -1.793   0.794   6.863
  412    H    GLU  52           H        GLU  52  -1.995   4.692   9.866
  413    HA   GLU  52           HA       GLU  52  -2.463   7.363   8.871
  414   1HB   GLU  52          2HB       GLU  52  -1.669   6.327  11.620
  415   2HB   GLU  52          3HB       GLU  52  -2.095   8.007  11.252
  416   1HG   GLU  52          2HG       GLU  52  -4.349   7.323  10.536
  417   2HG   GLU  52          3HG       GLU  52  -3.954   5.629  10.812
  418    H    LEU  53           H        LEU  53  -0.858   8.071   7.529
  419    HA   LEU  53           HA       LEU  53   1.902   7.384   7.806
  420   1HB   LEU  53          2HB       LEU  53   0.526   9.510   6.106
  421   2HB   LEU  53          3HB       LEU  53   2.204   9.001   5.921
  422    HG   LEU  53           HG       LEU  53  -0.264   7.275   5.454
  423   1HD1  LEU  53          1HD1      LEU  53   0.260   8.924   3.671
  424   2HD1  LEU  53          2HD1      LEU  53   1.893   8.223   3.537
  425   3HD1  LEU  53          3HD1      LEU  53   0.471   7.250   3.128
  426   1HD2  LEU  53          1HD2      LEU  53   2.694   6.563   5.344
  427   2HD2  LEU  53          2HD2      LEU  53   1.453   5.820   6.368
  428   3HD2  LEU  53          3HD2      LEU  53   1.415   5.564   4.624
  429    H    ASP  54           H        ASP  54   0.177   9.692   9.585
  430    HA   ASP  54           HA       ASP  54   2.479  11.482  10.036
  431   1HB   ASP  54          2HB       ASP  54   0.211  12.370  10.272
  432   2HB   ASP  54          3HB       ASP  54  -0.181  11.129  11.458
  433    H    GLU  55           H        GLU  55   1.395   8.351  11.132
  434    HA   GLU  55           HA       GLU  55   3.015   8.537  13.630
  435   1HB   GLU  55          2HB       GLU  55   0.520   8.383  13.777
  436   2HB   GLU  55          3HB       GLU  55   0.584   6.799  13.026
  437   1HG   GLU  55          2HG       GLU  55   2.016   7.562  15.616
  438   2HG   GLU  55          3HG       GLU  55   0.378   6.926  15.569
  439    H    LEU  56           H        LEU  56   2.349   6.629  10.694
  440    HA   LEU  56           HA       LEU  56   3.826   4.321  11.235
  441   1HB   LEU  56          2HB       LEU  56   2.439   4.681   9.214
  442   2HB   LEU  56          3HB       LEU  56   3.588   5.889   8.635
  443    HG   LEU  56           HG       LEU  56   5.350   4.136   8.454
  444   1HD1  LEU  56          1HD1      LEU  56   3.107   2.203   9.205
  445   2HD1  LEU  56          2HD1      LEU  56   4.695   1.738   8.561
  446   3HD1  LEU  56          3HD1      LEU  56   4.584   2.501  10.145
  447   1HD2  LEU  56          1HD2      LEU  56   2.775   3.457   6.984
  448   2HD2  LEU  56          2HD2      LEU  56   3.947   4.709   6.520
  449   3HD2  LEU  56          3HD2      LEU  56   4.422   3.006   6.494
  450    H    SER  57           H        SER  57   5.983   3.804  11.306
  451    HA   SER  57           HA       SER  57   7.763   5.610  12.222
  452   1HB   SER  57          2HB       SER  57   8.538   3.027  10.832
  453   2HB   SER  57          3HB       SER  57   9.311   3.790  12.234
  454    HG   SER  57           HG       SER  57   7.953   2.047  12.841
  455    H    ASP  58           H        ASP  58   7.227   5.010   8.796
  456    HA   ASP  58           HA       ASP  58   9.412   6.922   8.142
  457   1HB   ASP  58          2HB       ASP  58  10.116   4.534   7.750
  458   2HB   ASP  58          3HB       ASP  58   8.780   4.370   6.608
  459    H    GLY  59           H        GLY  59   6.491   7.136   8.574
  460   1HA   GLY  59          1HA       GLY  59   4.877   6.883   6.365
  461   2HA   GLY  59          2HA       GLY  59   4.626   8.005   7.697
  462    H    SER  60           H        SER  60   6.892   9.810   7.141
  463    HA   SER  60           HA       SER  60   5.769  11.465   5.162
  464   1HB   SER  60          2HB       SER  60   8.674  11.465   6.061
  465   2HB   SER  60          3HB       SER  60   7.717  12.837   5.471
  466    HG   SER  60           HG       SER  60   7.889  12.811   7.761
  467    H    GLN  61           H        GLN  61   8.557   9.186   4.904
  468    HA   GLN  61           HA       GLN  61   9.005   9.834   2.095
  469   1HB   GLN  61          2HB       GLN  61   9.968   7.474   3.751
  470   2HB   GLN  61          3HB       GLN  61  10.463   7.846   2.096
  471   1HG   GLN  61          2HG       GLN  61  11.240  10.130   2.969
  472   2HG   GLN  61          3HG       GLN  61  11.029   9.477   4.599
  473   1HE2  GLN  61          2HE2      GLN  61  12.193   7.257   4.968
  474   2HE2  GLN  61          1HE2      GLN  61  13.798   7.112   4.258
  475    H    LEU  62           H        LEU  62   7.106   7.430   3.935
  476    HA   LEU  62           HA       LEU  62   6.313   5.862   1.718
  477   1HB   LEU  62          2HB       LEU  62   5.995   5.635   4.365
  478   2HB   LEU  62          3HB       LEU  62   4.466   6.423   4.037
  479    HG   LEU  62           HG       LEU  62   4.235   4.030   4.216
  480   1HD1  LEU  62          1HD1      LEU  62   2.994   3.502   2.224
  481   2HD1  LEU  62          2HD1      LEU  62   2.759   5.221   2.574
  482   3HD1  LEU  62          3HD1      LEU  62   3.868   4.718   1.280
  483   1HD2  LEU  62          1HD2      LEU  62   6.504   3.363   3.555
  484   2HD2  LEU  62          2HD2      LEU  62   5.273   2.444   2.674
  485   3HD2  LEU  62          3HD2      LEU  62   6.145   3.749   1.862
  486    H    GLN  63           H        GLN  63   4.791   8.852   3.117
  487    HA   GLN  63           HA       GLN  63   2.717   8.957   1.182
  488   1HB   GLN  63          2HB       GLN  63   2.883  10.303   3.370
  489   2HB   GLN  63          3HB       GLN  63   3.922  11.422   2.473
  490   1HG   GLN  63          2HG       GLN  63   2.090  11.630   0.739
  491   2HG   GLN  63          3HG       GLN  63   1.073  10.574   1.714
  492   1HE2  GLN  63          2HE2      GLN  63   0.174  13.040   0.923
  493   2HE2  GLN  63          1HE2      GLN  63   0.110  14.136   2.293
  494    H    SER  64           H        SER  64   6.070  10.184   1.171
  495    HA   SER  64           HA       SER  64   5.883  11.665  -1.268
  496   1HB   SER  64          2HB       SER  64   8.325  10.256  -0.112
  497   2HB   SER  64          3HB       SER  64   8.314  11.573  -1.288
  498    HG   SER  64           HG       SER  64   7.386  11.680   1.418
  499    H    ALA  65           H        ALA  65   6.707   8.209  -0.639
  500    HA   ALA  65           HA       ALA  65   7.069   7.467  -3.369
  501   1HB   ALA  65          1HB       ALA  65   6.698   5.196  -2.576
  502   2HB   ALA  65          2HB       ALA  65   7.785   6.068  -1.480
  503   3HB   ALA  65          3HB       ALA  65   6.083   5.792  -1.024
  504    H    LEU  66           H        LEU  66   4.156   7.555  -1.274
  505    HA   LEU  66           HA       LEU  66   2.282   6.562  -3.116
  506   1HB   LEU  66          2HB       LEU  66   2.243   7.950  -0.585
  507   2HB   LEU  66          3HB       LEU  66   1.125   8.781  -1.628
  508    HG   LEU  66           HG       LEU  66  -0.018   7.153  -0.296
  509   1HD1  LEU  66          1HD1      LEU  66   0.107   6.075  -3.142
  510   2HD1  LEU  66          2HD1      LEU  66  -1.201   5.875  -1.966
  511   3HD1  LEU  66          3HD1      LEU  66  -0.843   7.484  -2.616
  512   1HD2  LEU  66          1HD2      LEU  66   0.449   4.761  -0.366
  513   2HD2  LEU  66          2HD2      LEU  66   1.783   5.025  -1.512
  514   3HD2  LEU  66          3HD2      LEU  66   1.892   5.661   0.139
  515    H    ALA  67           H        ALA  67   3.378   9.975  -2.671
  516    HA   ALA  67           HA       ALA  67   1.795  11.037  -4.768
  517   1HB   ALA  67          1HB       ALA  67   2.925  12.411  -3.018
  518   2HB   ALA  67          2HB       ALA  67   4.498  12.028  -3.747
  519   3HB   ALA  67          3HB       ALA  67   3.305  12.972  -4.659
  520    H    HIS  68           H        HIS  68   5.168   9.820  -4.837
  521    HA   HIS  68           HA       HIS  68   5.703  10.227  -7.580
  522   1HB   HIS  68          2HB       HIS  68   7.566   9.629  -6.377
  523   2HB   HIS  68          3HB       HIS  68   6.704   8.494  -5.360
  524    HD1  HIS  68           1HD      HIS  68   8.587   8.534  -8.696
  525    HD2  HIS  68           2HD      HIS  68   6.488   5.954  -6.105
  526    HE1  HIS  68           1HE      HIS  68   9.104   6.165  -9.468
  527    H    TRP  69           H        TRP  69   4.086   7.483  -5.948
  528    HA   TRP  69           HA       TRP  69   3.929   5.838  -8.267
  529   1HB   TRP  69          2HB       TRP  69   4.015   5.121  -5.903
  530   2HB   TRP  69          3HB       TRP  69   2.432   5.810  -5.613
  531    HD1  TRP  69           HD1      TRP  69   2.767   3.745  -8.793
  532    HE1  TRP  69           HE1      TRP  69   1.585   1.536  -8.510
  533    HE3  TRP  69           HE3      TRP  69   1.911   3.957  -3.751
  534    HZ2  TRP  69           HZ2      TRP  69   0.284   0.040  -6.362
  535    HZ3  TRP  69           HZ3      TRP  69   0.706   2.108  -2.607
  536    HH2  TRP  69           HH2      TRP  69  -0.117   0.160  -3.908
  537    H    THR  70           H        THR  70   1.549   7.984  -6.648
  538    HA   THR  70           HA       THR  70  -0.541   7.132  -8.552
  539    HB   THR  70           HB       THR  70  -2.048   8.240  -6.982
  540    HG1  THR  70           1HG      THR  70   0.209   8.738  -5.339
  541   1HG2  THR  70          1HG2      THR  70  -1.459   5.904  -6.507
  542   2HG2  THR  70          2HG2      THR  70  -0.059   6.419  -5.549
  543   3HG2  THR  70          3HG2      THR  70  -1.698   6.817  -5.005
  544    H    GLY  71           H        GLY  71   1.595   9.857  -8.122
  545   1HA   GLY  71          1HA       GLY  71   1.725  11.876  -9.167
  546   2HA   GLY  71          2HA       GLY  71   0.406  11.409 -10.261
  547    H    ARG  72           H        ARG  72  -0.132  11.097  -6.793
  548    HA   ARG  72           HA       ARG  72  -1.731  13.609  -6.702
  549   1HB   ARG  72          2HB       ARG  72  -3.175  11.824  -7.592
  550   2HB   ARG  72          3HB       ARG  72  -2.782  10.782  -6.221
  551   1HG   ARG  72          2HG       ARG  72  -3.825  12.412  -4.687
  552   2HG   ARG  72          3HG       ARG  72  -4.218  13.472  -6.050
  553   1HD   ARG  72          2HD       ARG  72  -5.667  11.748  -7.013
  554   2HD   ARG  72          3HD       ARG  72  -5.221  10.605  -5.726
  555    HE   ARG  72           HE       ARG  72  -6.137  12.670  -4.270
  556   1HH1  ARG  72          1HH2      ARG  72  -7.606  10.782  -6.914
  557   2HH1  ARG  72          2HH2      ARG  72  -9.234  11.059  -6.384
  558   1HH2  ARG  72          1HH1      ARG  72  -8.327  13.251  -3.767
  559   2HH2  ARG  72          2HH1      ARG  72  -9.641  12.547  -4.647
  560    H    GLY  73           H        GLY  73  -1.082  10.640  -4.719
  561   1HA   GLY  73          1HA       GLY  73  -0.330  10.373  -2.598
  562   2HA   GLY  73          2HA       GLY  73   0.669  11.795  -2.903
  563    H    THR  74           H        THR  74  -2.855  12.243  -2.857
  564    HA   THR  74           HA       THR  74  -2.717  14.011  -0.584
  565    HB   THR  74           HB       THR  74  -5.283  13.867  -0.902
  566    HG1  THR  74           1HG      THR  74  -5.450  11.914  -1.979
  567   1HG2  THR  74          1HG2      THR  74  -3.935  15.670  -1.884
  568   2HG2  THR  74          2HG2      THR  74  -3.579  14.659  -3.304
  569   3HG2  THR  74          3HG2      THR  74  -5.246  15.181  -2.973
  570    H    VAL  75           H        VAL  75  -4.309  13.646   1.299
  571    HA   VAL  75           HA       VAL  75  -4.639  10.808   1.972
  572    HB   VAL  75           HB       VAL  75  -4.260  11.297   4.365
  573   1HG1  VAL  75          1HG1      VAL  75  -2.623  10.062   3.006
  574   2HG1  VAL  75          2HG1      VAL  75  -1.803  11.581   2.595
  575   3HG1  VAL  75          3HG1      VAL  75  -1.840  11.010   4.279
  576   1HG2  VAL  75          1HG2      VAL  75  -2.773  13.788   3.409
  577   2HG2  VAL  75          2HG2      VAL  75  -4.326  13.801   4.278
  578   3HG2  VAL  75          3HG2      VAL  75  -2.895  13.165   5.069
  579    HA   PRO  76           HA       PRO  76  -5.956   9.672   3.505
  580   1HB   PRO  76          2HB       PRO  76  -8.361   8.413   3.147
  581   2HB   PRO  76          3HB       PRO  76  -7.952   9.303   4.642
  582   1HG   PRO  76          2HG       PRO  76  -9.490  10.306   2.227
  583   2HG   PRO  76          3HG       PRO  76  -9.958  10.430   3.952
  584   1HD   PRO  76          2HD       PRO  76  -8.761  12.486   2.619
  585   2HD   PRO  76          3HD       PRO  76  -8.385  12.158   4.335
  586    H    ASN  77           H        ASN  77  -5.927   7.733   2.110
  587    HA   ASN  77           HA       ASN  77  -6.569   8.156  -0.762
  588   1HB   ASN  77          2HB       ASN  77  -3.971   8.497   0.190
  589   2HB   ASN  77          3HB       ASN  77  -3.978   6.791  -0.225
  590   1HD2  ASN  77          2HD2      ASN  77  -3.430   9.831  -1.451
  591   2HD2  ASN  77          1HD2      ASN  77  -3.627   9.476  -3.162
  592    H    VAL  78           H        VAL  78  -7.659   6.353  -1.449
  593    HA   VAL  78           HA       VAL  78  -7.673   4.032   0.409
  594    HB   VAL  78           HB       VAL  78  -9.942   5.087  -1.314
  595   1HG1  VAL  78          1HG1      VAL  78 -10.168   2.682  -0.851
  596   2HG1  VAL  78          2HG1      VAL  78  -9.838   2.950   0.874
  597   3HG1  VAL  78          3HG1      VAL  78 -11.327   3.571   0.136
  598   1HG2  VAL  78          1HG2      VAL  78  -9.402   5.420   1.671
  599   2HG2  VAL  78          2HG2      VAL  78  -9.506   6.720   0.458
  600   3HG2  VAL  78          3HG2      VAL  78 -10.944   5.795   0.877
  601    H    PHE  79           H        PHE  79  -7.433   2.064  -0.369
  602    HA   PHE  79           HA       PHE  79  -7.188   1.611  -3.294
  603   1HB   PHE  79          2HB       PHE  79  -5.355   0.708  -1.019
  604   2HB   PHE  79          3HB       PHE  79  -5.394  -0.085  -2.579
  605    HD1  PHE  79           1HD      PHE  79  -4.980   3.440  -1.212
  606    HD2  PHE  79           2HD      PHE  79  -3.721   0.477  -4.088
  607    HE1  PHE  79           1HE      PHE  79  -3.338   5.028  -2.133
  608    HE2  PHE  79           2HE      PHE  79  -2.043   2.067  -4.972
  609    HZ   PHE  79           HZ       PHE  79  -1.841   4.343  -4.003
  610    H    ILE  80           H        ILE  80  -8.011  -0.374  -3.936
  611    HA   ILE  80           HA       ILE  80  -9.061  -2.224  -1.874
  612    HB   ILE  80           HB       ILE  80 -10.630  -1.347  -4.334
  613   1HG1  ILE  80          2HG1      ILE  80 -11.195  -0.793  -1.393
  614   2HG1  ILE  80          3HG1      ILE  80 -10.694   0.404  -2.582
  615   1HG2  ILE  80          1HG2      ILE  80 -10.946  -3.710  -3.834
  616   2HG2  ILE  80          2HG2      ILE  80 -11.333  -3.336  -2.144
  617   3HG2  ILE  80          3HG2      ILE  80 -12.412  -2.835  -3.462
  618   1HD1  ILE  80          1HD1      ILE  80 -12.800   0.000  -3.859
  619   2HD1  ILE  80          2HD1      ILE  80 -13.355  -1.060  -2.550
  620   3HD1  ILE  80          3HD1      ILE  80 -13.042   0.647  -2.225
  621    H    GLY  81           H        GLY  81  -8.577  -4.320  -2.431
  622   1HA   GLY  81          1HA       GLY  81  -7.511  -6.042  -3.479
  623   2HA   GLY  81          2HA       GLY  81  -8.245  -5.420  -4.964
  624    H    GLY  82           H        GLY  82  -5.818  -3.614  -3.046
  625   1HA   GLY  82          1HA       GLY  82  -3.636  -3.075  -3.451
  626   2HA   GLY  82          2HA       GLY  82  -3.540  -4.391  -4.622
  627    H    LYS  83           H        LYS  83  -6.073  -1.999  -5.228
  628    HA   LYS  83           HA       LYS  83  -4.322  -0.564  -7.183
  629   1HB   LYS  83          2HB       LYS  83  -5.803  -2.242  -8.271
  630   2HB   LYS  83          3HB       LYS  83  -7.213  -1.492  -7.510
  631   1HG   LYS  83          2HG       LYS  83  -6.794   0.600  -8.759
  632   2HG   LYS  83          3HG       LYS  83  -5.330  -0.109  -9.472
  633   1HD   LYS  83          2HD       LYS  83  -6.729  -1.849 -10.583
  634   2HD   LYS  83          3HD       LYS  83  -8.168  -1.183  -9.804
  635   1HE   LYS  83          2HE       LYS  83  -8.156  -0.379 -12.050
  636   2HE   LYS  83          3HE       LYS  83  -7.801   0.986 -10.989
  637   1HZ   LYS  83          1HZ       LYS  83  -5.455   0.748 -11.593
  638   2HZ   LYS  83          2HZ       LYS  83  -5.789  -0.541 -12.548
  639   3HZ   LYS  83          3HZ       LYS  83  -6.360   0.933 -12.932
  640    H    GLN  84           H        GLN  84  -4.596   1.690  -7.187
  641    HA   GLN  84           HA       GLN  84  -5.836   2.909  -4.901
  642   1HB   GLN  84          2HB       GLN  84  -3.861   3.851  -6.193
  643   2HB   GLN  84          3HB       GLN  84  -4.962   4.183  -7.534
  644   1HG   GLN  84          2HG       GLN  84  -6.327   5.632  -5.943
  645   2HG   GLN  84          3HG       GLN  84  -5.104   5.336  -4.711
  646   1HE2  GLN  84          2HE2      GLN  84  -4.566   7.536  -4.523
  647   2HE2  GLN  84          1HE2      GLN  84  -3.768   8.432  -5.817
  648    H    ILE  85           H        ILE  85  -7.866   3.790  -4.694
  649    HA   ILE  85           HA       ILE  85  -9.676   3.798  -7.080
  650    HB   ILE  85           HB       ILE  85 -10.136   3.543  -4.105
  651   1HG1  ILE  85          2HG1      ILE  85 -11.744   1.855  -4.797
  652   2HG1  ILE  85          3HG1      ILE  85 -11.560   2.284  -6.498
  653   1HG2  ILE  85          1HG2      ILE  85 -12.145   4.705  -6.073
  654   2HG2  ILE  85          2HG2      ILE  85 -12.565   4.029  -4.479
  655   3HG2  ILE  85          3HG2      ILE  85 -11.543   5.465  -4.586
  656   1HD1  ILE  85          1HD1      ILE  85 -10.407   0.172  -5.852
  657   2HD1  ILE  85          2HD1      ILE  85  -9.320   1.351  -6.553
  658   3HD1  ILE  85          3HD1      ILE  85  -9.343   1.112  -4.784
  659    H    GLY  86           H        GLY  86  -8.594   5.818  -4.239
  660   1HA   GLY  86          1HA       GLY  86  -7.749   8.054  -5.507
  661   2HA   GLY  86          2HA       GLY  86  -9.504   8.257  -5.553
  662    H    GLY  87           H        GLY  87  -9.260  10.094  -4.150
  663   1HA   GLY  87          1HA       GLY  87  -8.408   9.547  -1.346
  664   2HA   GLY  87          2HA       GLY  87  -8.519  11.137  -2.101
  665    H    CYS  88           H        CYS  88  -9.798  11.551  -0.091
  666    HA   CYS  88           HA       CYS  88 -12.142  10.287   0.679
  667   1HB   CYS  88          2HB       CYS  88 -12.751  12.622   1.609
  668   2HB   CYS  88          3HB       CYS  88 -11.266  11.872   2.184
  669    HG   CYS  88           HG       CYS  88 -10.973  14.500   1.851
  670    H    ASP  89           H        ASP  89 -11.971  13.155  -1.485
  671    HA   ASP  89           HA       ASP  89 -14.748  13.286  -1.963
  672   1HB   ASP  89          2HB       ASP  89 -13.217  15.107  -2.534
  673   2HB   ASP  89          3HB       ASP  89 -12.417  14.099  -3.745
  674    H    THR  90           H        THR  90 -12.242  11.323  -3.610
  675    HA   THR  90           HA       THR  90 -13.896  10.472  -5.758
  676    HB   THR  90           HB       THR  90 -11.580   8.929  -4.534
  677    HG1  THR  90           1HG      THR  90 -11.538  11.249  -6.150
  678   1HG2  THR  90          1HG2      THR  90 -11.161   8.496  -7.031
  679   2HG2  THR  90          2HG2      THR  90 -12.554   7.686  -6.293
  680   3HG2  THR  90          3HG2      THR  90 -12.792   9.128  -7.308
  681    H    VAL  91           H        VAL  91 -13.159   8.913  -2.524
  682    HA   VAL  91           HA       VAL  91 -14.914   6.713  -3.184
  683    HB   VAL  91           HB       VAL  91 -14.756   6.084  -0.795
  684   1HG1  VAL  91          1HG1      VAL  91 -12.081   6.636  -2.152
  685   2HG1  VAL  91          2HG1      VAL  91 -12.439   5.391  -0.935
  686   3HG1  VAL  91          3HG1      VAL  91 -13.178   5.286  -2.529
  687   1HG2  VAL  91          1HG2      VAL  91 -13.180   7.130   0.695
  688   2HG2  VAL  91          2HG2      VAL  91 -12.788   8.379  -0.494
  689   3HG2  VAL  91          3HG2      VAL  91 -14.405   8.324   0.241
  690    H    VAL  92           H        VAL  92 -15.508   9.856  -1.513
  691    HA   VAL  92           HA       VAL  92 -18.149   9.107  -0.668
  692    HB   VAL  92           HB       VAL  92 -16.829  11.795  -1.227
  693   1HG1  VAL  92          1HG1      VAL  92 -19.577  11.275   0.001
  694   2HG1  VAL  92          2HG1      VAL  92 -18.719  12.833   0.022
  695   3HG1  VAL  92          3HG1      VAL  92 -19.245  12.143  -1.514
  696   1HG2  VAL  92          1HG2      VAL  92 -16.766  11.980   1.213
  697   2HG2  VAL  92          2HG2      VAL  92 -17.648  10.448   1.395
  698   3HG2  VAL  92          3HG2      VAL  92 -15.998  10.459   0.752
  699    H    GLU  93           H        GLU  93 -16.904  10.648  -3.726
  700    HA   GLU  93           HA       GLU  93 -19.444  10.968  -4.932
  701   1HB   GLU  93          2HB       GLU  93 -17.354  12.036  -5.698
  702   2HB   GLU  93          3HB       GLU  93 -16.713  10.465  -6.210
  703   1HG   GLU  93          2HG       GLU  93 -18.566  10.239  -7.834
  704   2HG   GLU  93          3HG       GLU  93 -19.238  11.783  -7.306
  705    H    LYS  94           H        LYS  94 -17.107   8.217  -5.149
  706    HA   LYS  94           HA       LYS  94 -18.823   6.638  -6.838
  707   1HB   LYS  94          2HB       LYS  94 -16.510   5.871  -5.011
  708   2HB   LYS  94          3HB       LYS  94 -17.317   4.755  -6.132
  709   1HG   LYS  94          2HG       LYS  94 -16.693   6.162  -8.050
  710   2HG   LYS  94          3HG       LYS  94 -15.969   7.354  -6.990
  711   1HD   LYS  94          2HD       LYS  94 -14.139   6.116  -7.817
  712   2HD   LYS  94          3HD       LYS  94 -14.381   5.584  -6.160
  713   1HE   LYS  94          2HE       LYS  94 -13.956   3.608  -7.388
  714   2HE   LYS  94          3HE       LYS  94 -15.695   3.589  -7.093
  715   1HZ   LYS  94          1HZ       LYS  94 -14.385   4.430  -9.626
  716   2HZ   LYS  94          2HZ       LYS  94 -15.155   3.016  -9.386
  717   3HZ   LYS  94          3HZ       LYS  94 -16.009   4.410  -9.389
  718    H    HIS  95           H        HIS  95 -18.698   6.988  -3.256
  719    HA   HIS  95           HA       HIS  95 -20.517   4.805  -2.796
  720   1HB   HIS  95          2HB       HIS  95 -19.178   5.732  -0.981
  721   2HB   HIS  95          3HB       HIS  95 -19.943   7.309  -1.168
  722    HD1  HIS  95           1HD      HIS  95 -21.268   3.690  -0.445
  723    HD2  HIS  95           2HD      HIS  95 -21.851   7.746   0.513
  724    HE1  HIS  95           1HE      HIS  95 -23.172   3.765   1.242
  725    H    GLN  96           H        GLN  96 -21.025   8.351  -3.382
  726    HA   GLN  96           HA       GLN  96 -23.858   8.227  -3.155
  727   1HB   GLN  96          2HB       GLN  96 -22.030  10.135  -4.670
  728   2HB   GLN  96          3HB       GLN  96 -23.771  10.350  -4.581
  729   1HG   GLN  96          2HG       GLN  96 -21.895  10.272  -2.184
  730   2HG   GLN  96          3HG       GLN  96 -22.556  11.725  -2.911
  731   1HE2  GLN  96          2HE2      GLN  96 -22.856  10.590  -0.121
  732   2HE2  GLN  96          1HE2      GLN  96 -24.577  10.473   0.134
  733    H    ARG  97           H        ARG  97 -21.733   7.655  -6.012
  734    HA   ARG  97           HA       ARG  97 -23.983   7.174  -7.784
  735   1HB   ARG  97          2HB       ARG  97 -21.025   6.450  -8.016
  736   2HB   ARG  97          3HB       ARG  97 -22.229   6.120  -9.264
  737   1HG   ARG  97          2HG       ARG  97 -22.804   8.668  -9.077
  738   2HG   ARG  97          3HG       ARG  97 -21.204   8.803  -8.337
  739   1HD   ARG  97          2HD       ARG  97 -21.837   7.587 -11.072
  740   2HD   ARG  97          3HD       ARG  97 -21.219   9.209 -10.819
  741    HE   ARG  97           HE       ARG  97 -19.775   6.631 -10.560
  742   1HH1  ARG  97          1HH2      ARG  97 -19.578  10.168 -10.507
  743   2HH1  ARG  97          2HH2      ARG  97 -17.865  10.211 -10.220
  744   1HH2  ARG  97          1HH1      ARG  97 -17.526   6.659 -10.324
  745   2HH2  ARG  97          2HH1      ARG  97 -16.659   8.173 -10.315
  746    H    ASN  98           H        ASN  98 -23.098   5.366  -5.147
  747    HA   ASN  98           HA       ASN  98 -23.136   3.235  -4.504
  748   1HB   ASN  98          2HB       ASN  98 -25.563   3.514  -4.842
  749   2HB   ASN  98          3HB       ASN  98 -25.397   2.904  -6.494
  750   1HD2  ASN  98          2HD2      ASN  98 -26.687   1.001  -6.149
  751   2HD2  ASN  98          1HD2      ASN  98 -26.161  -0.294  -5.105
  752    H    GLU  99           H        GLU  99 -21.112   3.747  -5.995
  753    HA   GLU  99           HA       GLU  99 -20.711   1.563  -7.986
  754   1HB   GLU  99          2HB       GLU  99 -20.868   3.933  -8.781
  755   2HB   GLU  99          3HB       GLU  99 -19.480   4.339  -7.769
  756   1HG   GLU  99          2HG       GLU  99 -18.101   2.706  -9.083
  757   2HG   GLU  99          3HG       GLU  99 -19.500   2.418 -10.132
  758    H    LEU 100           H        LEU 100 -19.442   3.293  -5.149
  759    HA   LEU 100           HA       LEU 100 -16.938   1.858  -4.962
  760   1HB   LEU 100          2HB       LEU 100 -17.494   4.020  -3.754
  761   2HB   LEU 100          3HB       LEU 100 -18.642   3.126  -2.764
  762    HG   LEU 100           HG       LEU 100 -16.707   1.704  -1.935
  763   1HD1  LEU 100          1HD1      LEU 100 -15.077   2.032  -3.733
  764   2HD1  LEU 100          2HD1      LEU 100 -15.063   3.788  -3.445
  765   3HD1  LEU 100          3HD1      LEU 100 -14.414   2.670  -2.229
  766   1HD2  LEU 100          1HD2      LEU 100 -15.830   3.476  -0.439
  767   2HD2  LEU 100          2HD2      LEU 100 -16.571   4.710  -1.484
  768   3HD2  LEU 100          3HD2      LEU 100 -17.589   3.551  -0.607
  769    H    LEU 101           H        LEU 101 -20.260   1.328  -3.712
  770    HA   LEU 101           HA       LEU 101 -19.542  -0.733  -1.934
  771   1HB   LEU 101          2HB       LEU 101 -21.813   0.726  -2.372
  772   2HB   LEU 101          3HB       LEU 101 -22.327  -0.843  -2.985
  773    HG   LEU 101           HG       LEU 101 -21.121  -0.340  -0.235
  774   1HD1  LEU 101          1HD1      LEU 101 -24.018  -0.808  -1.057
  775   2HD1  LEU 101          2HD1      LEU 101 -23.414  -0.644   0.609
  776   3HD1  LEU 101          3HD1      LEU 101 -23.323   0.730  -0.503
  777   1HD2  LEU 101          1HD2      LEU 101 -20.716  -2.645  -0.878
  778   2HD2  LEU 101          2HD2      LEU 101 -22.033  -2.616   0.295
  779   3HD2  LEU 101          3HD2      LEU 101 -22.397  -2.840  -1.431
  780    HA   PRO 102           HA       PRO 102 -20.687  -3.923  -5.462
  781   1HB   PRO 102          2HB       PRO 102 -19.796  -2.167  -7.759
  782   2HB   PRO 102          3HB       PRO 102 -20.935  -3.551  -7.773
  783   1HG   PRO 102          2HG       PRO 102 -21.885  -1.020  -7.756
  784   2HG   PRO 102          3HG       PRO 102 -22.631  -2.256  -6.690
  785   1HD   PRO 102          2HD       PRO 102 -20.625  -0.124  -5.970
  786   2HD   PRO 102          3HD       PRO 102 -22.082  -0.640  -5.090
  787    H    LEU 103           H        LEU 103 -17.966  -1.542  -5.704
  788    HA   LEU 103           HA       LEU 103 -16.090  -3.572  -6.577
  789   1HB   LEU 103          2HB       LEU 103 -15.856  -1.188  -7.144
  790   2HB   LEU 103          3HB       LEU 103 -15.640  -0.783  -5.440
  791    HG   LEU 103           HG       LEU 103 -13.527  -1.987  -5.349
  792   1HD1  LEU 103          1HD1      LEU 103 -13.879  -3.857  -6.889
  793   2HD1  LEU 103          2HD1      LEU 103 -14.031  -2.738  -8.264
  794   3HD1  LEU 103          3HD1      LEU 103 -12.480  -2.927  -7.416
  795   1HD2  LEU 103          1HD2      LEU 103 -12.236  -0.583  -6.918
  796   2HD2  LEU 103          2HD2      LEU 103 -13.716  -0.200  -7.814
  797   3HD2  LEU 103          3HD2      LEU 103 -13.525   0.351  -6.136
  798    H    LEU 104           H        LEU 104 -16.929  -2.068  -3.426
  799    HA   LEU 104           HA       LEU 104 -15.000  -3.511  -1.853
  800   1HB   LEU 104          2HB       LEU 104 -17.751  -2.360  -1.212
  801   2HB   LEU 104          3HB       LEU 104 -16.728  -3.120  -0.003
  802    HG   LEU 104           HG       LEU 104 -15.786  -0.708  -1.616
  803   1HD1  LEU 104          1HD1      LEU 104 -16.374   0.625   0.395
  804   2HD1  LEU 104          2HD1      LEU 104 -17.801  -0.071  -0.389
  805   3HD1  LEU 104          3HD1      LEU 104 -17.163  -0.807   1.096
  806   1HD2  LEU 104          1HD2      LEU 104 -14.008  -2.055  -0.518
  807   2HD2  LEU 104          2HD2      LEU 104 -14.184  -0.466   0.231
  808   3HD2  LEU 104          3HD2      LEU 104 -14.858  -1.900   1.032
  809    H    GLN 105           H        GLN 105 -18.337  -4.293  -2.916
  810    HA   GLN 105           HA       GLN 105 -18.525  -6.819  -1.614
  811   1HB   GLN 105          2HB       GLN 105 -19.794  -5.725  -4.148
  812   2HB   GLN 105          3HB       GLN 105 -20.215  -7.286  -3.467
  813   1HG   GLN 105          2HG       GLN 105 -20.397  -4.900  -1.648
  814   2HG   GLN 105          3HG       GLN 105 -21.569  -5.010  -2.953
  815   1HE2  GLN 105          2HE2      GLN 105 -21.139  -5.789   0.222
  816   2HE2  GLN 105          1HE2      GLN 105 -22.363  -7.048   0.345
  817    H    ASP 106           H        ASP 106 -17.276  -5.905  -4.855
  818    HA   ASP 106           HA       ASP 106 -16.750  -8.555  -5.751
  819   1HB   ASP 106          2HB       ASP 106 -16.778  -6.677  -7.287
  820   2HB   ASP 106          3HB       ASP 106 -15.393  -5.939  -6.479
  821    H    ALA 107           H        ALA 107 -14.733  -6.267  -3.872
  822    HA   ALA 107           HA       ALA 107 -12.523  -8.123  -3.597
  823   1HB   ALA 107          1HB       ALA 107 -13.250  -5.632  -1.995
  824   2HB   ALA 107          2HB       ALA 107 -11.676  -6.461  -1.995
  825   3HB   ALA 107          3HB       ALA 107 -12.256  -5.679  -3.472
  826    H    ALA 108           H        ALA 108 -15.599  -8.402  -2.375
  827    HA   ALA 108           HA       ALA 108 -16.658  -9.175  -0.585
  828   1HB   ALA 108          1HB       ALA 108 -15.732 -11.289  -1.318
  829   2HB   ALA 108          2HB       ALA 108 -14.243 -11.014  -0.376
  830   3HB   ALA 108          3HB       ALA 108 -15.797 -11.252   0.442
  831    H    ALA 109           H        ALA 109 -15.032  -6.816  -0.143
  832    HA   ALA 109           HA       ALA 109 -13.730  -7.006   2.450
  833   1HB   ALA 109          1HB       ALA 109 -13.537  -4.581   2.219
  834   2HB   ALA 109          2HB       ALA 109 -13.077  -5.374   0.693
  835   3HB   ALA 109          3HB       ALA 109 -14.660  -4.579   0.842
  836    H    THR 110           H        THR 110 -16.959  -6.019   1.220
  837    HA   THR 110           HA       THR 110 -17.961  -5.192   3.796
  838    HB   THR 110           HB       THR 110 -20.195  -5.657   2.502
  839    HG1  THR 110           1HG      THR 110 -19.121  -6.828   0.814
  840   1HG2  THR 110          1HG2      THR 110 -18.210  -3.495   1.679
  841   2HG2  THR 110          2HG2      THR 110 -19.945  -3.483   1.298
  842   3HG2  THR 110          3HG2      THR 110 -19.412  -3.406   2.982
  843    H    ALA 111           H        ALA 111 -17.931  -6.606   5.427
  844    HA   ALA 111           HA       ALA 111 -17.647  -9.389   5.151
  845   1HB   ALA 111          1HB       ALA 111 -18.710  -7.776   7.508
  846   2HB   ALA 111          2HB       ALA 111 -18.057  -9.430   7.580
  847   3HB   ALA 111          3HB       ALA 111 -16.997  -8.079   7.127
  848    H    LYS 112           H        LYS 112 -20.527  -7.497   4.931
  849    HA   LYS 112           HA       LYS 112 -22.578  -9.350   5.508
  850   1HB   LYS 112          2HB       LYS 112 -22.391  -7.180   3.370
  851   2HB   LYS 112          3HB       LYS 112 -23.888  -7.978   3.853
  852   1HG   LYS 112          2HG       LYS 112 -23.797  -7.045   6.075
  853   2HG   LYS 112          3HG       LYS 112 -22.161  -6.410   5.821
  854   1HD   LYS 112          2HD       LYS 112 -22.965  -4.905   4.060
  855   2HD   LYS 112          3HD       LYS 112 -24.621  -5.523   4.256
  856   1HE   LYS 112          2HE       LYS 112 -24.733  -4.687   6.542
  857   2HE   LYS 112          3HE       LYS 112 -23.019  -4.252   6.518
  858   1HZ   LYS 112          1HZ       LYS 112 -25.089  -2.997   4.815
  859   2HZ   LYS 112          2HZ       LYS 112 -24.427  -2.327   6.148
  860   3HZ   LYS 112          3HZ       LYS 112 -23.487  -2.613   4.834
  861    H    ASN 113           H        ASN 113 -20.302  -9.304   2.796
  862    HA   ASN 113           HA       ASN 113 -21.718 -11.609   1.567
  863   1HB   ASN 113          2HB       ASN 113 -22.541  -9.644   0.377
  864   2HB   ASN 113          3HB       ASN 113 -20.875  -9.124   0.060
  865   1HD2  ASN 113          1HD2      ASN 113 -21.939  -9.265  -2.240
  866   2HD2  ASN 113          2HD2      ASN 113 -21.596 -10.798  -3.059
  867    HA   PRO 114           HA       PRO 114 -17.173 -12.373   1.774
  868   1HB   PRO 114          2HB       PRO 114 -17.256 -14.958   2.647
  869   2HB   PRO 114          3HB       PRO 114 -17.400 -13.552   3.745
  870   1HG   PRO 114          2HG       PRO 114 -19.638 -15.221   2.557
  871   2HG   PRO 114          3HG       PRO 114 -19.408 -14.737   4.269
  872   1HD   PRO 114          2HD       PRO 114 -21.049 -13.373   2.570
  873   2HD   PRO 114          3HD       PRO 114 -20.104 -12.529   3.831
  874    H    ALA 115           H        ALA 115 -19.891 -13.667   0.019
  875    HA   ALA 115           HA       ALA 115 -18.375 -15.620  -1.531
  876   1HB   ALA 115          1HB       ALA 115 -21.246 -14.634  -1.820
  877   2HB   ALA 115          2HB       ALA 115 -20.535 -16.071  -2.580
  878   3HB   ALA 115          3HB       ALA 115 -20.726 -16.013  -0.820
  879    H    GLN 116           H        GLN 116 -18.331 -12.369  -1.659
  880    HA   GLN 116           HA       GLN 116 -17.714 -10.809  -3.074
  881   1HB   GLN 116          2HB       GLN 116 -17.353 -12.890  -5.253
  882   2HB   GLN 116          3HB       GLN 116 -16.848 -11.212  -5.323
  883   1HG   GLN 116          2HG       GLN 116 -15.271 -11.534  -3.489
  884   2HG   GLN 116          3HG       GLN 116 -15.781 -13.218  -3.294
  885   1HE2  GLN 116          2HE2      GLN 116 -14.080 -10.919  -5.414
  886   2HE2  GLN 116          1HE2      GLN 116 -13.252 -12.133  -6.378
  887    H    LEU 117           H        LEU 117 -18.445  -9.544  -4.967
  888    HA   LEU 117           HA       LEU 117 -21.220  -9.211  -5.081
  889   1HB   LEU 117          2HB       LEU 117 -19.428  -7.544  -5.721
  890   2HB   LEU 117          3HB       LEU 117 -19.186  -8.411  -7.216
  891    HG   LEU 117           HG       LEU 117 -20.523  -6.302  -7.316
  892   1HD1  LEU 117          1HD1      LEU 117 -22.145  -8.660  -8.322
  893   2HD1  LEU 117          2HD1      LEU 117 -22.102  -7.010  -8.950
  894   3HD1  LEU 117          3HD1      LEU 117 -20.671  -8.039  -9.100
  895   1HD2  LEU 117          1HD2      LEU 117 -21.839  -6.610  -5.218
  896   2HD2  LEU 117          2HD2      LEU 117 -22.832  -6.214  -6.625
  897   3HD2  LEU 117          3HD2      LEU 117 -22.783  -7.879  -6.024
  Start of MODEL    2
    1   1H    MET   1           H1       MET   1   9.586  13.865  -0.123
    2   2H    MET   1           H2       MET   1  10.456  14.951   0.730
    3   3H    MET   1           H3       MET   1   9.756  15.402  -0.688
    4    HA   MET   1           HA       MET   1  11.165  13.888  -1.916
    5   1HB   MET   1          2HB       MET   1  12.597  15.926  -0.150
    6   2HB   MET   1          3HB       MET   1  13.434  14.957  -1.355
    7   1HG   MET   1          2HG       MET   1  13.004  17.014  -2.371
    8   2HG   MET   1          3HG       MET   1  11.937  15.841  -3.130
    9   1HE   MET   1          1HE       MET   1  11.767  19.020  -3.452
   10   2HE   MET   1          2HE       MET   1  10.679  17.879  -4.277
   11   3HE   MET   1          3HE       MET   1  10.008  19.260  -3.381
   12    H    ALA   2           H        ALA   2  12.743  12.257  -1.948
   13    HA   ALA   2           HA       ALA   2  13.994  11.310   0.510
   14   1HB   ALA   2          1HB       ALA   2  11.888  10.025   0.564
   15   2HB   ALA   2          2HB       ALA   2  12.087   9.577  -1.141
   16   3HB   ALA   2          3HB       ALA   2  13.218   8.955   0.071
   17    H    SER   3           H        SER   3  15.866  10.020  -0.049
   18    HA   SER   3           HA       SER   3  17.085  10.409  -2.616
   19   1HB   SER   3          2HB       SER   3  17.643   8.278  -0.501
   20   2HB   SER   3          3HB       SER   3  18.754   8.837  -1.768
   21    HG   SER   3           HG       SER   3  19.162   9.822   0.274
   22    H    LYS   4           H        LYS   4  17.194   8.918  -4.405
   23    HA   LYS   4           HA       LYS   4  14.774   7.711  -4.956
   24   1HB   LYS   4          2HB       LYS   4  15.749   6.820  -6.975
   25   2HB   LYS   4          3HB       LYS   4  16.316   8.461  -6.676
   26   1HG   LYS   4          2HG       LYS   4  18.479   7.525  -5.800
   27   2HG   LYS   4          3HG       LYS   4  17.896   5.892  -6.181
   28   1HD   LYS   4          2HD       LYS   4  17.686   6.520  -8.570
   29   2HD   LYS   4          3HD       LYS   4  18.285   8.151  -8.191
   30   1HE   LYS   4          2HE       LYS   4  20.407   7.171  -7.345
   31   2HE   LYS   4          3HE       LYS   4  19.811   5.548  -7.715
   32   1HZ   LYS   4          1HZ       LYS   4  20.301   7.679  -9.717
   33   2HZ   LYS   4          2HZ       LYS   4  21.251   6.381  -9.460
   34   3HZ   LYS   4          3HZ       LYS   4  19.751   6.177 -10.059
   35    H    GLN   5           H        GLN   5  17.605   6.035  -3.557
   36    HA   GLN   5           HA       GLN   5  16.535   3.402  -3.888
   37   1HB   GLN   5          2HB       GLN   5  18.922   3.961  -3.387
   38   2HB   GLN   5          3HB       GLN   5  18.453   4.435  -1.747
   39   1HG   GLN   5          2HG       GLN   5  17.616   2.113  -1.343
   40   2HG   GLN   5          3HG       GLN   5  18.105   1.657  -2.976
   41   1HE2  GLN   5          2HE2      GLN   5  19.090   1.588   0.244
   42   2HE2  GLN   5          1HE2      GLN   5  20.811   1.427   0.000
   43    H    GLU   6           H        GLU   6  16.230   5.841  -1.242
   44    HA   GLU   6           HA       GLU   6  14.710   4.047   0.464
   45   1HB   GLU   6          2HB       GLU   6  15.146   7.066   0.551
   46   2HB   GLU   6          3HB       GLU   6  14.226   6.138   1.747
   47   1HG   GLU   6          2HG       GLU   6  16.278   4.703   2.119
   48   2HG   GLU   6          3HG       GLU   6  17.181   5.814   1.089
   49    H    LEU   7           H        LEU   7  13.923   6.551  -1.973
   50    HA   LEU   7           HA       LEU   7  11.126   6.615  -1.526
   51   1HB   LEU   7          2HB       LEU   7  12.451   8.210  -2.976
   52   2HB   LEU   7          3HB       LEU   7  12.639   6.918  -4.156
   53    HG   LEU   7           HG       LEU   7  10.142   6.815  -4.417
   54   1HD1  LEU   7          1HD1      LEU   7   8.806   8.763  -3.608
   55   2HD1  LEU   7          2HD1      LEU   7   9.398   7.769  -2.271
   56   3HD1  LEU   7          3HD1      LEU   7  10.195   9.312  -2.655
   57   1HD2  LEU   7          1HD2      LEU   7  11.410   9.538  -4.924
   58   2HD2  LEU   7          2HD2      LEU   7  11.549   8.107  -5.968
   59   3HD2  LEU   7          3HD2      LEU   7   9.974   8.878  -5.740
   60    H    ASP   8           H        ASP   8  13.129   4.508  -3.679
   61    HA   ASP   8           HA       ASP   8  10.930   3.007  -4.684
   62   1HB   ASP   8          2HB       ASP   8  13.086   3.095  -5.828
   63   2HB   ASP   8          3HB       ASP   8  13.891   2.343  -4.448
   64    H    ALA   9           H        ALA   9  13.103   2.459  -1.851
   65    HA   ALA   9           HA       ALA   9  11.991  -0.087  -1.175
   66   1HB   ALA   9          1HB       ALA   9  14.120   0.763  -0.231
   67   2HB   ALA   9          2HB       ALA   9  13.234   2.037   0.640
   68   3HB   ALA   9          3HB       ALA   9  12.973   0.331   1.053
   69    H    ALA  10           H        ALA  10  11.115   3.259  -0.198
   70    HA   ALA  10           HA       ALA  10   8.938   2.575   1.499
   71   1HB   ALA  10          1HB       ALA  10   9.530   5.076  -0.148
   72   2HB   ALA  10          2HB       ALA  10   8.275   4.948   1.088
   73   3HB   ALA  10          3HB       ALA  10   9.976   4.779   1.545
   74    H    LEU  11           H        LEU  11   9.106   3.173  -2.044
   75    HA   LEU  11           HA       LEU  11   6.317   2.876  -2.571
   76   1HB   LEU  11          2HB       LEU  11   7.852   3.925  -4.110
   77   2HB   LEU  11          3HB       LEU  11   8.826   2.487  -4.243
   78    HG   LEU  11           HG       LEU  11   7.368   3.120  -6.185
   79   1HD1  LEU  11          1HD1      LEU  11   7.007   0.897  -6.898
   80   2HD1  LEU  11          2HD1      LEU  11   8.457   0.898  -5.888
   81   3HD1  LEU  11          3HD1      LEU  11   6.924   0.271  -5.238
   82   1HD2  LEU  11          1HD2      LEU  11   5.321   3.616  -4.832
   83   2HD2  LEU  11          2HD2      LEU  11   5.059   2.586  -6.251
   84   3HD2  LEU  11          3HD2      LEU  11   5.076   1.875  -4.630
   85    H    LYS  12           H        LYS  12   8.969   0.411  -2.546
   86    HA   LYS  12           HA       LYS  12   7.256  -1.752  -3.184
   87   1HB   LYS  12          2HB       LYS  12   9.744  -1.822  -3.203
   88   2HB   LYS  12          3HB       LYS  12   9.766  -1.732  -1.437
   89   1HG   LYS  12          2HG       LYS  12   8.578  -3.901  -1.300
   90   2HG   LYS  12          3HG       LYS  12   8.507  -3.975  -3.074
   91   1HD   LYS  12          2HD       LYS  12  10.989  -4.015  -3.178
   92   2HD   LYS  12          3HD       LYS  12  11.072  -3.830  -1.424
   93   1HE   LYS  12          2HE       LYS  12  11.473  -6.128  -1.916
   94   2HE   LYS  12          3HE       LYS  12   9.899  -6.003  -1.130
   95   1HZ   LYS  12          1HZ       LYS  12  10.330  -6.317  -4.050
   96   2HZ   LYS  12          2HZ       LYS  12   9.855  -7.496  -3.034
   97   3HZ   LYS  12          3HZ       LYS  12   8.865  -6.236  -3.321
   98    H    LYS  13           H        LYS  13   8.111  -0.363   0.039
   99    HA   LYS  13           HA       LYS  13   6.470  -2.167   1.497
  100   1HB   LYS  13          2HB       LYS  13   8.226  -0.726   2.506
  101   2HB   LYS  13          3HB       LYS  13   7.252   0.704   2.178
  102   1HG   LYS  13          2HG       LYS  13   7.096   0.030   4.517
  103   2HG   LYS  13          3HG       LYS  13   5.518  -0.072   3.739
  104   1HD   LYS  13          2HD       LYS  13   5.677  -2.499   3.569
  105   2HD   LYS  13          3HD       LYS  13   7.341  -2.490   4.161
  106   1HE   LYS  13          2HE       LYS  13   4.926  -1.513   5.759
  107   2HE   LYS  13          3HE       LYS  13   5.546  -3.162   5.826
  108   1HZ   LYS  13          1HZ       LYS  13   6.430  -1.852   7.628
  109   2HZ   LYS  13          2HZ       LYS  13   7.649  -2.296   6.650
  110   3HZ   LYS  13          3HZ       LYS  13   7.088  -0.758   6.616
  111    H    ALA  14           H        ALA  14   5.655   1.044   0.019
  112    HA   ALA  14           HA       ALA  14   2.996   1.137   0.907
  113   1HB   ALA  14          1HB       ALA  14   4.069   2.139  -1.764
  114   2HB   ALA  14          2HB       ALA  14   2.582   2.644  -0.951
  115   3HB   ALA  14          3HB       ALA  14   4.156   3.021  -0.222
  116    H    LYS  15           H        LYS  15   4.321  -0.487  -2.056
  117    HA   LYS  15           HA       LYS  15   1.789  -1.409  -2.997
  118   1HB   LYS  15          2HB       LYS  15   4.618  -2.482  -3.359
  119   2HB   LYS  15          3HB       LYS  15   3.202  -3.238  -4.102
  120   1HG   LYS  15          2HG       LYS  15   2.635  -1.181  -5.269
  121   2HG   LYS  15          3HG       LYS  15   4.009  -0.331  -4.537
  122   1HD   LYS  15          2HD       LYS  15   5.573  -1.867  -5.676
  123   2HD   LYS  15          3HD       LYS  15   4.202  -2.784  -6.343
  124   1HE   LYS  15          2HE       LYS  15   3.409  -0.721  -7.505
  125   2HE   LYS  15          3HE       LYS  15   4.815   0.156  -6.895
  126   1HZ   LYS  15          1HZ       LYS  15   6.222  -1.408  -8.154
  127   2HZ   LYS  15          2HZ       LYS  15   4.901  -2.183  -8.722
  128   3HZ   LYS  15          3HZ       LYS  15   5.183  -0.639  -9.148
  129    H    GLU  16           H        GLU  16   4.141  -2.950  -0.750
  130    HA   GLU  16           HA       GLU  16   2.674  -5.347  -0.390
  131   1HB   GLU  16          2HB       GLU  16   5.063  -4.870   0.310
  132   2HB   GLU  16          3HB       GLU  16   4.437  -3.897   1.636
  133   1HG   GLU  16          2HG       GLU  16   4.977  -6.016   2.545
  134   2HG   GLU  16          3HG       GLU  16   3.223  -5.941   2.494
  135    H    LEU  17           H        LEU  17   2.598  -2.266   1.484
  136    HA   LEU  17           HA       LEU  17   0.592  -3.016   3.340
  137   1HB   LEU  17          2HB       LEU  17   1.380  -0.321   2.164
  138   2HB   LEU  17          3HB       LEU  17   0.169  -0.482   3.427
  139    HG   LEU  17           HG       LEU  17   3.034  -1.468   3.738
  140   1HD1  LEU  17          1HD1      LEU  17   3.432   0.565   5.067
  141   2HD1  LEU  17          2HD1      LEU  17   3.035   0.957   3.389
  142   3HD1  LEU  17          3HD1      LEU  17   1.809   1.151   4.662
  143   1HD2  LEU  17          1HD2      LEU  17   1.480  -2.553   5.297
  144   2HD2  LEU  17          2HD2      LEU  17   2.502  -1.408   6.162
  145   3HD2  LEU  17          3HD2      LEU  17   0.830  -0.965   5.778
  146    H    ALA  18           H        ALA  18   0.289  -1.408   0.153
  147    HA   ALA  18           HA       ALA  18  -2.494  -1.054   0.130
  148   1HB   ALA  18          1HB       ALA  18  -0.941   0.097  -1.398
  149   2HB   ALA  18          2HB       ALA  18  -0.568  -1.455  -2.188
  150   3HB   ALA  18          3HB       ALA  18  -2.198  -0.765  -2.303
  151    H    SER  19           H        SER  19  -0.760  -4.050  -0.153
  152    HA   SER  19           HA       SER  19  -3.189  -5.374  -1.267
  153   1HB   SER  19          2HB       SER  19  -1.587  -7.061  -2.196
  154   2HB   SER  19          3HB       SER  19  -1.510  -5.458  -2.930
  155    HG   SER  19           HG       SER  19   0.362  -5.015  -1.811
  156    H    SER  20           H        SER  20  -1.692  -4.853   1.609
  157    HA   SER  20           HA       SER  20  -1.591  -7.536   2.682
  158   1HB   SER  20          2HB       SER  20  -1.715  -4.782   3.970
  159   2HB   SER  20          3HB       SER  20  -1.461  -6.292   4.860
  160    HG   SER  20           HG       SER  20   0.203  -5.440   2.705
  161    H    ALA  21           H        ALA  21  -4.268  -5.455   1.915
  162    HA   ALA  21           HA       ALA  21  -6.146  -7.283   3.226
  163   1HB   ALA  21          1HB       ALA  21  -7.369  -5.331   4.279
  164   2HB   ALA  21          2HB       ALA  21  -5.765  -5.587   4.976
  165   3HB   ALA  21          3HB       ALA  21  -6.035  -4.281   3.799
  166    HA   PRO  22           HA       PRO  22  -8.301  -6.356  -0.529
  167   1HB   PRO  22          2HB       PRO  22 -10.976  -6.343   0.139
  168   2HB   PRO  22          3HB       PRO  22  -9.969  -7.821   0.054
  169   1HG   PRO  22          2HG       PRO  22 -10.654  -6.169   2.508
  170   2HG   PRO  22          3HG       PRO  22 -10.774  -7.949   2.302
  171   1HD   PRO  22          2HD       PRO  22  -8.638  -6.848   3.507
  172   2HD   PRO  22          3HD       PRO  22  -8.410  -8.199   2.364
  173    H    VAL  23           H        VAL  23  -8.623  -4.104   2.134
  174    HA   VAL  23           HA       VAL  23  -9.008  -1.916   0.222
  175    HB   VAL  23           HB       VAL  23 -10.611  -2.215   2.790
  176   1HG1  VAL  23          1HG1      VAL  23 -10.546   0.031   0.736
  177   2HG1  VAL  23          2HG1      VAL  23 -11.787  -0.134   1.997
  178   3HG1  VAL  23          3HG1      VAL  23 -10.096   0.131   2.436
  179   1HG2  VAL  23          1HG2      VAL  23 -11.631  -2.320  -0.056
  180   2HG2  VAL  23          2HG2      VAL  23 -11.596  -3.649   1.119
  181   3HG2  VAL  23          3HG2      VAL  23 -12.628  -2.258   1.420
  182    H    VAL  24           H        VAL  24  -7.694  -0.182   0.856
  183    HA   VAL  24           HA       VAL  24  -6.406  -0.304   3.522
  184    HB   VAL  24           HB       VAL  24  -4.813  -0.041   0.937
  185   1HG1  VAL  24          1HG1      VAL  24  -3.936  -0.359   3.845
  186   2HG1  VAL  24          2HG1      VAL  24  -2.857  -0.317   2.438
  187   3HG1  VAL  24          3HG1      VAL  24  -3.790   1.116   2.861
  188   1HG2  VAL  24          1HG2      VAL  24  -3.876  -2.280   1.481
  189   2HG2  VAL  24          2HG2      VAL  24  -5.077  -2.464   2.758
  190   3HG2  VAL  24          3HG2      VAL  24  -5.567  -2.358   1.051
  191    H    VAL  25           H        VAL  25  -6.218   1.676   4.388
  192    HA   VAL  25           HA       VAL  25  -6.860   4.060   2.723
  193    HB   VAL  25           HB       VAL  25  -7.630   3.431   5.606
  194   1HG1  VAL  25          1HG1      VAL  25  -7.369   5.836   5.225
  195   2HG1  VAL  25          2HG1      VAL  25  -8.378   5.754   3.770
  196   3HG1  VAL  25          3HG1      VAL  25  -9.083   5.442   5.377
  197   1HG2  VAL  25          1HG2      VAL  25  -8.918   2.007   4.080
  198   2HG2  VAL  25          2HG2      VAL  25  -9.945   3.269   4.758
  199   3HG2  VAL  25          3HG2      VAL  25  -9.349   3.420   3.089
  200    H    PHE  26           H        PHE  26  -4.811   4.811   2.352
  201    HA   PHE  26           HA       PHE  26  -2.857   5.148   4.530
  202   1HB   PHE  26          2HB       PHE  26  -2.953   6.170   1.675
  203   2HB   PHE  26          3HB       PHE  26  -1.623   6.431   2.790
  204    HD1  PHE  26           1HD      PHE  26  -3.371   3.948   0.666
  205    HD2  PHE  26           2HD      PHE  26  -0.041   4.613   3.324
  206    HE1  PHE  26           1HE      PHE  26  -2.350   1.810  -0.071
  207    HE2  PHE  26           2HE      PHE  26   0.971   2.460   2.588
  208    HZ   PHE  26           HZ       PHE  26  -0.181   1.071   0.880
  209    H    SER  27           H        SER  27  -2.997   6.888   5.911
  210    HA   SER  27           HA       SER  27  -4.542   9.285   5.193
  211   1HB   SER  27          2HB       SER  27  -6.174   8.845   7.036
  212   2HB   SER  27          3HB       SER  27  -6.310   7.718   5.696
  213    HG   SER  27           HG       SER  27  -5.207   6.175   6.912
  214    H    LYS  28           H        LYS  28  -4.999  10.197   7.789
  215    HA   LYS  28           HA       LYS  28  -2.505   9.963   9.319
  216   1HB   LYS  28          2HB       LYS  28  -3.712  12.595   8.387
  217   2HB   LYS  28          3HB       LYS  28  -2.644  12.481   9.793
  218   1HG   LYS  28          2HG       LYS  28  -0.854  11.521   8.393
  219   2HG   LYS  28          3HG       LYS  28  -1.904  11.632   6.972
  220   1HD   LYS  28          2HD       LYS  28  -2.062  14.132   7.405
  221   2HD   LYS  28          3HD       LYS  28  -0.781  13.950   8.604
  222   1HE   LYS  28          2HE       LYS  28  -0.575  13.110   5.668
  223   2HE   LYS  28          3HE       LYS  28  -0.057  14.683   6.273
  224   1HZ   LYS  28          1HZ       LYS  28   1.753  13.062   6.048
  225   2HZ   LYS  28          2HZ       LYS  28   1.626  13.635   7.581
  226   3HZ   LYS  28          3HZ       LYS  28   1.101  12.123   7.212
  227    H    THR  29           H        THR  29  -2.999  11.116  11.543
  228    HA   THR  29           HA       THR  29  -5.035   9.445  12.620
  229    HB   THR  29           HB       THR  29  -4.093  10.643  14.757
  230    HG1  THR  29           1HG      THR  29  -2.202  11.773  14.396
  231   1HG2  THR  29          1HG2      THR  29  -3.361   8.398  13.982
  232   2HG2  THR  29          2HG2      THR  29  -2.155   9.163  12.919
  233   3HG2  THR  29          3HG2      THR  29  -2.034   9.331  14.684
  234    H    TYR  30           H        TYR  30  -5.168  12.860  11.701
  235    HA   TYR  30           HA       TYR  30  -7.580  13.145  13.446
  236   1HB   TYR  30          2HB       TYR  30  -6.815  15.315  14.106
  237   2HB   TYR  30          3HB       TYR  30  -5.572  14.132  14.461
  238    HD1  TYR  30           1HD      TYR  30  -3.427  14.106  13.164
  239    HD2  TYR  30           2HD      TYR  30  -6.502  17.035  12.378
  240    HE1  TYR  30           1HE      TYR  30  -1.813  15.440  11.858
  241    HE2  TYR  30           2HE      TYR  30  -4.910  18.347  11.017
  242    HH   TYR  30           HH       TYR  30  -1.470  17.368  10.589
  243    H    CYS  31           H        CYS  31  -6.197  14.013  10.247
  244    HA   CYS  31           HA       CYS  31  -7.701  16.203   9.711
  245   1HB   CYS  31          2HB       CYS  31  -7.068  14.080   7.643
  246   2HB   CYS  31          3HB       CYS  31  -7.159  15.835   7.425
  247    H    GLY  32           H        GLY  32  -9.708  16.701   8.950
  248   1HA   GLY  32          1HA       GLY  32 -11.876  15.112   9.675
  249   2HA   GLY  32          2HA       GLY  32 -11.954  16.502   8.578
  250    H    TYR  33           H        TYR  33 -10.400  15.483   6.400
  251    HA   TYR  33           HA       TYR  33 -12.374  13.878   5.078
  252   1HB   TYR  33          2HB       TYR  33  -9.517  14.613   4.338
  253   2HB   TYR  33          3HB       TYR  33 -10.594  13.707   3.292
  254    HD1  TYR  33           1HD      TYR  33  -9.613  17.020   4.332
  255    HD2  TYR  33           2HD      TYR  33 -12.875  14.747   2.642
  256    HE1  TYR  33           1HE      TYR  33 -10.619  19.107   3.466
  257    HE2  TYR  33           2HE      TYR  33 -13.883  16.828   1.772
  258    HH   TYR  33           HH       TYR  33 -13.688  19.144   1.588
  259    H    CYS  34           H        CYS  34  -9.288  13.020   6.693
  260    HA   CYS  34           HA       CYS  34  -9.267  10.271   5.848
  261   1HB   CYS  34          2HB       CYS  34  -8.101  11.673   8.307
  262   2HB   CYS  34          3HB       CYS  34  -7.761  10.006   7.853
  263    HG   CYS  34           HG       CYS  34  -5.980  12.179   7.217
  264    H    ASN  35           H        ASN  35 -10.568  11.939   8.761
  265    HA   ASN  35           HA       ASN  35 -11.781   9.663   9.967
  266   1HB   ASN  35          2HB       ASN  35 -11.655  11.653  11.268
  267   2HB   ASN  35          3HB       ASN  35 -12.452  12.625  10.033
  268   1HD2  ASN  35          2HD2      ASN  35 -14.722  12.755  10.017
  269   2HD2  ASN  35          1HD2      ASN  35 -15.762  11.700  10.948
  270    H    ARG  36           H        ARG  36 -13.133  11.963   7.510
  271    HA   ARG  36           HA       ARG  36 -15.682  10.726   7.424
  272   1HB   ARG  36          2HB       ARG  36 -14.164  12.441   5.424
  273   2HB   ARG  36          3HB       ARG  36 -15.745  11.752   5.039
  274   1HG   ARG  36          2HG       ARG  36 -16.748  12.799   7.018
  275   2HG   ARG  36          3HG       ARG  36 -15.207  13.532   7.461
  276   1HD   ARG  36          2HD       ARG  36 -16.623  14.041   4.807
  277   2HD   ARG  36          3HD       ARG  36 -16.909  15.014   6.240
  278    HE   ARG  36           HE       ARG  36 -14.598  15.071   4.478
  279   1HH1  ARG  36          1HH2      ARG  36 -15.804  15.994   7.686
  280   2HH1  ARG  36          2HH2      ARG  36 -14.720  17.318   7.878
  281   1HH2  ARG  36          1HH1      ARG  36 -13.087  16.806   4.763
  282   2HH2  ARG  36          2HH1      ARG  36 -13.152  17.788   6.177
  283    H    VAL  37           H        VAL  37 -12.745   9.950   5.429
  284    HA   VAL  37           HA       VAL  37 -14.072   7.913   3.925
  285    HB   VAL  37           HB       VAL  37 -11.157   8.342   4.699
  286   1HG1  VAL  37          1HG1      VAL  37 -10.545   6.710   2.959
  287   2HG1  VAL  37          2HG1      VAL  37 -11.393   5.919   4.279
  288   3HG1  VAL  37          3HG1      VAL  37 -12.253   6.251   2.761
  289   1HG2  VAL  37          1HG2      VAL  37 -11.044   8.917   2.239
  290   2HG2  VAL  37          2HG2      VAL  37 -12.805   8.735   2.166
  291   3HG2  VAL  37          3HG2      VAL  37 -12.097  10.003   3.171
  292    H    LYS  38           H        LYS  38 -12.193   7.674   6.996
  293    HA   LYS  38           HA       LYS  38 -12.537   4.890   7.342
  294   1HB   LYS  38          2HB       LYS  38 -12.215   7.154   9.358
  295   2HB   LYS  38          3HB       LYS  38 -12.178   5.446   9.814
  296   1HG   LYS  38          2HG       LYS  38 -10.231   5.008   8.484
  297   2HG   LYS  38          3HG       LYS  38 -10.352   6.545   7.636
  298   1HD   LYS  38          2HD       LYS  38  -9.834   7.759   9.754
  299   2HD   LYS  38          3HD       LYS  38  -9.587   6.190  10.565
  300   1HE   LYS  38          2HE       LYS  38  -7.829   5.599   8.945
  301   2HE   LYS  38          3HE       LYS  38  -8.147   7.056   8.012
  302   1HZ   LYS  38          1HZ       LYS  38  -7.340   8.356   9.957
  303   2HZ   LYS  38          2HZ       LYS  38  -6.914   6.964  10.721
  304   3HZ   LYS  38          3HZ       LYS  38  -6.227   7.366   9.290
  305    H    GLN  39           H        GLN  39 -14.701   7.554   8.487
  306    HA   GLN  39           HA       GLN  39 -16.619   5.748   9.617
  307   1HB   GLN  39          2HB       GLN  39 -16.847   8.645   8.706
  308   2HB   GLN  39          3HB       GLN  39 -18.153   7.748   9.500
  309   1HG   GLN  39          2HG       GLN  39 -16.655   7.288  11.436
  310   2HG   GLN  39          3HG       GLN  39 -15.409   8.297  10.714
  311   1HE2  GLN  39          2HE2      GLN  39 -17.486   8.429  13.171
  312   2HE2  GLN  39          1HE2      GLN  39 -17.992  10.098  13.109
  313    H    LEU  40           H        LEU  40 -16.314   7.104   6.285
  314    HA   LEU  40           HA       LEU  40 -18.851   6.273   5.332
  315   1HB   LEU  40          2HB       LEU  40 -17.149   7.797   4.194
  316   2HB   LEU  40          3HB       LEU  40 -16.221   6.363   3.792
  317    HG   LEU  40           HG       LEU  40 -18.313   5.551   2.488
  318   1HD1  LEU  40          1HD1      LEU  40 -19.106   8.457   2.972
  319   2HD1  LEU  40          2HD1      LEU  40 -19.824   7.391   1.756
  320   3HD1  LEU  40          3HD1      LEU  40 -20.014   7.011   3.472
  321   1HD2  LEU  40          1HD2      LEU  40 -17.769   6.941   0.568
  322   2HD2  LEU  40          2HD2      LEU  40 -16.888   8.081   1.619
  323   3HD2  LEU  40          3HD2      LEU  40 -16.310   6.412   1.411
  324    H    LEU  41           H        LEU  41 -15.664   4.617   5.250
  325    HA   LEU  41           HA       LEU  41 -16.624   2.185   4.088
  326   1HB   LEU  41          2HB       LEU  41 -14.099   3.126   5.406
  327   2HB   LEU  41          3HB       LEU  41 -14.368   1.396   5.287
  328    HG   LEU  41           HG       LEU  41 -14.482   1.390   2.929
  329   1HD1  LEU  41          1HD1      LEU  41 -15.738   3.431   2.402
  330   2HD1  LEU  41          2HD1      LEU  41 -14.365   4.436   2.928
  331   3HD1  LEU  41          3HD1      LEU  41 -14.232   3.386   1.495
  332   1HD2  LEU  41          1HD2      LEU  41 -12.224   1.504   3.937
  333   2HD2  LEU  41          2HD2      LEU  41 -12.256   2.246   2.326
  334   3HD2  LEU  41          3HD2      LEU  41 -12.240   3.273   3.776
  335    H    THR  42           H        THR  42 -16.190   3.186   7.517
  336    HA   THR  42           HA       THR  42 -16.899   0.701   8.689
  337    HB   THR  42           HB       THR  42 -17.415   3.550   9.659
  338    HG1  THR  42           1HG      THR  42 -15.250   3.193   9.333
  339   1HG2  THR  42          1HG2      THR  42 -18.737   1.997  11.014
  340   2HG2  THR  42          2HG2      THR  42 -17.326   0.936  11.228
  341   3HG2  THR  42          3HG2      THR  42 -17.347   2.568  11.941
  342    H    GLN  43           H        GLN  43 -18.984   3.458   7.647
  343    HA   GLN  43           HA       GLN  43 -21.390   2.338   8.677
  344   1HB   GLN  43          2HB       GLN  43 -20.805   4.470   6.601
  345   2HB   GLN  43          3HB       GLN  43 -22.461   3.991   6.981
  346   1HG   GLN  43          2HG       GLN  43 -22.261   4.630   9.283
  347   2HG   GLN  43          3HG       GLN  43 -20.519   4.858   9.158
  348   1HE2  GLN  43          2HE2      GLN  43 -19.744   6.558   7.654
  349   2HE2  GLN  43          1HE2      GLN  43 -20.697   8.029   7.463
  350    H    VAL  44           H        VAL  44 -19.920   2.037   5.388
  351    HA   VAL  44           HA       VAL  44 -22.203   0.517   4.441
  352    HB   VAL  44           HB       VAL  44 -20.908   0.128   2.427
  353   1HG1  VAL  44          1HG1      VAL  44 -20.663   2.445   1.704
  354   2HG1  VAL  44          2HG1      VAL  44 -22.107   2.268   2.720
  355   3HG1  VAL  44          3HG1      VAL  44 -20.638   3.014   3.377
  356   1HG2  VAL  44          1HG2      VAL  44 -18.605   1.498   3.837
  357   2HG2  VAL  44          2HG2      VAL  44 -18.654  -0.201   3.328
  358   3HG2  VAL  44          3HG2      VAL  44 -18.661   1.094   2.117
  359    H    GLY  45           H        GLY  45 -19.803  -0.354   6.651
  360   1HA   GLY  45          1HA       GLY  45 -19.476  -2.361   7.678
  361   2HA   GLY  45          2HA       GLY  45 -20.596  -3.138   6.547
  362    H    ALA  46           H        ALA  46 -17.691  -1.253   5.616
  363    HA   ALA  46           HA       ALA  46 -16.600  -3.457   4.060
  364   1HB   ALA  46          1HB       ALA  46 -15.348  -0.789   4.830
  365   2HB   ALA  46          2HB       ALA  46 -14.826  -1.869   3.526
  366   3HB   ALA  46          3HB       ALA  46 -16.380  -1.031   3.406
  367    H    SER  47           H        SER  47 -14.237  -3.925   4.379
  368    HA   SER  47           HA       SER  47 -13.323  -4.094   7.201
  369   1HB   SER  47          2HB       SER  47 -12.906  -6.283   5.125
  370   2HB   SER  47          3HB       SER  47 -12.616  -6.354   6.869
  371    HG   SER  47           HG       SER  47 -15.061  -6.290   5.436
  372    H    TYR  48           H        TYR  48 -11.393  -2.927   7.237
  373    HA   TYR  48           HA       TYR  48  -9.762  -2.789   4.785
  374   1HB   TYR  48          2HB       TYR  48  -9.840  -0.364   4.740
  375   2HB   TYR  48          3HB       TYR  48 -11.449  -1.029   4.522
  376    HD1  TYR  48           1HD      TYR  48 -13.196  -0.794   6.294
  377    HD2  TYR  48           2HD      TYR  48  -9.313   1.060   6.619
  378    HE1  TYR  48           1HE      TYR  48 -14.080   0.737   8.049
  379    HE2  TYR  48           2HE      TYR  48 -10.178   2.553   8.393
  380    HH   TYR  48           HH       TYR  48 -11.949   3.086   9.756
  381    H    LYS  49           H        LYS  49  -7.696  -2.087   5.058
  382    HA   LYS  49           HA       LYS  49  -6.577  -2.071   7.810
  383   1HB   LYS  49          2HB       LYS  49  -5.547  -3.523   6.119
  384   2HB   LYS  49          3HB       LYS  49  -5.311  -2.149   5.029
  385   1HG   LYS  49          2HG       LYS  49  -3.675  -1.170   6.579
  386   2HG   LYS  49          3HG       LYS  49  -4.002  -2.458   7.762
  387   1HD   LYS  49          2HD       LYS  49  -3.159  -4.140   6.110
  388   2HD   LYS  49          3HD       LYS  49  -2.877  -2.837   4.949
  389   1HE   LYS  49          2HE       LYS  49  -0.768  -3.376   5.948
  390   2HE   LYS  49          3HE       LYS  49  -1.259  -1.783   6.528
  391   1HZ   LYS  49          1HZ       LYS  49  -1.943  -2.826   8.617
  392   2HZ   LYS  49          2HZ       LYS  49  -1.530  -4.312   8.065
  393   3HZ   LYS  49          3HZ       LYS  49  -0.386  -3.183   8.308
  394    H    VAL  50           H        VAL  50  -5.156  -0.263   8.385
  395    HA   VAL  50           HA       VAL  50  -5.648   2.263   6.891
  396    HB   VAL  50           HB       VAL  50  -5.669   1.818   9.912
  397   1HG1  VAL  50          1HG1      VAL  50  -6.223   4.233  10.059
  398   2HG1  VAL  50          2HG1      VAL  50  -4.615   3.960   9.395
  399   3HG1  VAL  50          3HG1      VAL  50  -5.951   4.395   8.303
  400   1HG2  VAL  50          1HG2      VAL  50  -7.813   1.162   8.901
  401   2HG2  VAL  50          2HG2      VAL  50  -8.001   2.682   9.771
  402   3HG2  VAL  50          3HG2      VAL  50  -7.871   2.693   7.995
  403    H    VAL  51           H        VAL  51  -3.842   3.564   6.732
  404    HA   VAL  51           HA       VAL  51  -1.345   2.756   8.121
  405    HB   VAL  51           HB       VAL  51  -1.522   3.565   5.189
  406   1HG1  VAL  51          1HG1      VAL  51   0.897   3.176   5.151
  407   2HG1  VAL  51          2HG1      VAL  51   0.523   4.387   6.370
  408   3HG1  VAL  51          3HG1      VAL  51   0.885   2.720   6.869
  409   1HG2  VAL  51          1HG2      VAL  51  -0.832   0.862   6.404
  410   2HG2  VAL  51          2HG2      VAL  51  -2.258   1.245   5.413
  411   3HG2  VAL  51          3HG2      VAL  51  -0.657   1.311   4.689
  412    H    GLU  52           H        GLU  52  -1.846   4.334   9.644
  413    HA   GLU  52           HA       GLU  52  -2.394   7.099   8.856
  414   1HB   GLU  52          2HB       GLU  52  -2.032   5.595  11.448
  415   2HB   GLU  52          3HB       GLU  52  -1.876   7.367  11.432
  416   1HG   GLU  52          2HG       GLU  52  -4.042   7.710  10.569
  417   2HG   GLU  52          3HG       GLU  52  -4.235   6.049  10.071
  418    H    LEU  53           H        LEU  53  -0.804   7.779   7.589
  419    HA   LEU  53           HA       LEU  53   1.856   6.954   7.578
  420   1HB   LEU  53          2HB       LEU  53   0.474   9.453   6.539
  421   2HB   LEU  53          3HB       LEU  53   2.173   9.126   6.205
  422    HG   LEU  53           HG       LEU  53   0.009   7.098   5.502
  423   1HD1  LEU  53          1HD1      LEU  53  -0.606   9.135   4.367
  424   2HD1  LEU  53          2HD1      LEU  53   1.059   9.393   3.810
  425   3HD1  LEU  53          3HD1      LEU  53   0.110   8.028   3.187
  426   1HD2  LEU  53          1HD2      LEU  53   2.341   6.251   5.513
  427   2HD2  LEU  53          2HD2      LEU  53   1.695   6.332   3.870
  428   3HD2  LEU  53          3HD2      LEU  53   2.826   7.580   4.435
  429    H    ASP  54           H        ASP  54   0.398   9.550   9.515
  430    HA   ASP  54           HA       ASP  54   2.877  10.840  10.208
  431   1HB   ASP  54          2HB       ASP  54   0.639  11.892  10.450
  432   2HB   ASP  54          3HB       ASP  54   0.224  10.726  11.709
  433    H    GLU  55           H        GLU  55   1.397   7.855  11.291
  434    HA   GLU  55           HA       GLU  55   3.163   7.703  13.693
  435   1HB   GLU  55          2HB       GLU  55   0.625   6.240  12.865
  436   2HB   GLU  55          3HB       GLU  55   1.615   5.739  14.230
  437   1HG   GLU  55          2HG       GLU  55   0.386   8.521  14.006
  438   2HG   GLU  55          3HG       GLU  55  -0.407   7.158  14.778
  439    H    LEU  56           H        LEU  56   2.718   6.500  10.470
  440    HA   LEU  56           HA       LEU  56   3.955   3.956  10.650
  441   1HB   LEU  56          2HB       LEU  56   2.609   4.991   8.762
  442   2HB   LEU  56          3HB       LEU  56   4.016   5.938   8.329
  443    HG   LEU  56           HG       LEU  56   3.555   3.984   6.902
  444   1HD1  LEU  56          1HD1      LEU  56   5.885   4.882   7.101
  445   2HD1  LEU  56          2HD1      LEU  56   6.240   3.541   8.235
  446   3HD1  LEU  56          3HD1      LEU  56   5.761   3.198   6.580
  447   1HD2  LEU  56          1HD2      LEU  56   4.391   2.216   9.234
  448   2HD2  LEU  56          2HD2      LEU  56   2.722   2.443   8.669
  449   3HD2  LEU  56          3HD2      LEU  56   3.926   1.711   7.600
  450    H    SER  57           H        SER  57   6.092   3.368  10.856
  451    HA   SER  57           HA       SER  57   7.862   5.024  12.080
  452   1HB   SER  57          2HB       SER  57   8.637   2.533  10.529
  453   2HB   SER  57          3HB       SER  57   9.334   3.140  12.042
  454    HG   SER  57           HG       SER  57   7.875   1.414  12.404
  455    H    ASP  58           H        ASP  58   7.429   4.990   8.674
  456    HA   ASP  58           HA       ASP  58   9.877   6.614   8.245
  457   1HB   ASP  58          2HB       ASP  58  10.254   4.227   7.545
  458   2HB   ASP  58          3HB       ASP  58   8.908   4.382   6.415
  459    H    GLY  59           H        GLY  59   7.093   7.207   8.769
  460   1HA   GLY  59          1HA       GLY  59   5.166   7.471   7.037
  461   2HA   GLY  59          2HA       GLY  59   5.590   8.778   8.150
  462    H    SER  60           H        SER  60   7.515  10.234   7.206
  463    HA   SER  60           HA       SER  60   6.390  11.636   5.102
  464   1HB   SER  60          2HB       SER  60   9.338  11.652   5.847
  465   2HB   SER  60          3HB       SER  60   8.381  12.986   5.170
  466    HG   SER  60           HG       SER  60   8.671  13.171   7.445
  467    H    GLN  61           H        GLN  61   8.897   9.075   4.882
  468    HA   GLN  61           HA       GLN  61   9.366   9.648   2.034
  469   1HB   GLN  61          2HB       GLN  61  10.331   7.314   3.717
  470   2HB   GLN  61          3HB       GLN  61  10.853   7.728   2.079
  471   1HG   GLN  61          2HG       GLN  61  11.574  10.008   3.042
  472   2HG   GLN  61          3HG       GLN  61  11.348   9.296   4.642
  473   1HE2  GLN  61          2HE2      GLN  61  12.567   7.072   4.952
  474   2HE2  GLN  61          1HE2      GLN  61  14.210   7.031   4.271
  475    H    LEU  62           H        LEU  62   7.510   7.349   4.049
  476    HA   LEU  62           HA       LEU  62   6.542   5.705   1.933
  477   1HB   LEU  62          2HB       LEU  62   6.357   5.624   4.625
  478   2HB   LEU  62          3HB       LEU  62   4.816   6.376   4.303
  479    HG   LEU  62           HG       LEU  62   4.495   4.026   4.531
  480   1HD1  LEU  62          1HD1      LEU  62   3.484   3.316   2.458
  481   2HD1  LEU  62          2HD1      LEU  62   3.170   5.038   2.702
  482   3HD1  LEU  62          3HD1      LEU  62   4.407   4.516   1.538
  483   1HD2  LEU  62          1HD2      LEU  62   6.583   3.536   2.375
  484   2HD2  LEU  62          2HD2      LEU  62   6.816   3.295   4.119
  485   3HD2  LEU  62          3HD2      LEU  62   5.631   2.317   3.237
  486    H    GLN  63           H        GLN  63   5.236   8.745   3.355
  487    HA   GLN  63           HA       GLN  63   3.050   8.935   1.557
  488   1HB   GLN  63          2HB       GLN  63   3.288  10.157   3.736
  489   2HB   GLN  63          3HB       GLN  63   4.491  11.218   2.982
  490   1HG   GLN  63          2HG       GLN  63   2.834  11.975   1.328
  491   2HG   GLN  63          3HG       GLN  63   1.653  10.812   1.918
  492   1HE2  GLN  63          2HE2      GLN  63   0.610  13.107   1.765
  493   2HE2  GLN  63          1HE2      GLN  63   0.593  14.041   3.256
  494    H    SER  64           H        SER  64   6.441  10.161   1.320
  495    HA   SER  64           HA       SER  64   6.095  11.585  -1.117
  496   1HB   SER  64          2HB       SER  64   8.552  10.081  -0.118
  497   2HB   SER  64          3HB       SER  64   8.519  11.268  -1.423
  498    HG   SER  64           HG       SER  64   7.884  11.720   1.323
  499    H    ALA  65           H        ALA  65   6.759   8.081  -0.512
  500    HA   ALA  65           HA       ALA  65   6.943   7.378  -3.277
  501   1HB   ALA  65          1HB       ALA  65   6.550   5.098  -2.514
  502   2HB   ALA  65          2HB       ALA  65   7.761   5.901  -1.506
  503   3HB   ALA  65          3HB       ALA  65   6.096   5.673  -0.900
  504    H    LEU  66           H        LEU  66   4.122   7.420  -1.005
  505    HA   LEU  66           HA       LEU  66   2.195   6.537  -2.890
  506   1HB   LEU  66          2HB       LEU  66   2.077   8.152  -0.362
  507   2HB   LEU  66          3HB       LEU  66   0.729   8.354  -1.453
  508    HG   LEU  66           HG       LEU  66   0.254   6.701   0.254
  509   1HD1  LEU  66          1HD1      LEU  66  -0.661   4.950  -1.118
  510   2HD1  LEU  66          2HD1      LEU  66  -0.825   6.489  -1.979
  511   3HD1  LEU  66          3HD1      LEU  66   0.427   5.326  -2.460
  512   1HD2  LEU  66          1HD2      LEU  66   2.491   5.039  -0.970
  513   2HD2  LEU  66          2HD2      LEU  66   2.497   5.825   0.618
  514   3HD2  LEU  66          3HD2      LEU  66   1.357   4.512   0.294
  515    H    ALA  67           H        ALA  67   3.253   9.937  -2.210
  516    HA   ALA  67           HA       ALA  67   1.659  11.152  -4.147
  517   1HB   ALA  67          1HB       ALA  67   4.521  11.955  -3.429
  518   2HB   ALA  67          2HB       ALA  67   3.238  13.007  -4.052
  519   3HB   ALA  67          3HB       ALA  67   3.113  12.313  -2.420
  520    H    HIS  68           H        HIS  68   4.977   9.887  -4.578
  521    HA   HIS  68           HA       HIS  68   5.280  10.447  -7.324
  522   1HB   HIS  68          2HB       HIS  68   7.259   9.878  -6.321
  523   2HB   HIS  68          3HB       HIS  68   6.525   8.701  -5.251
  524    HD1  HIS  68           1HD      HIS  68   8.098   8.816  -8.748
  525    HD2  HIS  68           2HD      HIS  68   6.360   6.191  -5.952
  526    HE1  HIS  68           1HE      HIS  68   8.627   6.460  -9.556
  527    H    TRP  69           H        TRP  69   3.848   7.587  -5.717
  528    HA   TRP  69           HA       TRP  69   3.659   6.083  -8.163
  529   1HB   TRP  69          2HB       TRP  69   4.149   5.159  -5.951
  530   2HB   TRP  69          3HB       TRP  69   2.583   5.675  -5.349
  531    HD1  TRP  69           HD1      TRP  69   2.868   3.831  -8.713
  532    HE1  TRP  69           HE1      TRP  69   1.764   1.569  -8.526
  533    HE3  TRP  69           HE3      TRP  69   2.055   3.766  -3.651
  534    HZ2  TRP  69           HZ2      TRP  69   0.539  -0.066  -6.449
  535    HZ3  TRP  69           HZ3      TRP  69   0.931   1.819  -2.598
  536    HH2  TRP  69           HH2      TRP  69   0.154  -0.081  -3.990
  537    H    THR  70           H        THR  70   1.311   7.970  -6.224
  538    HA   THR  70           HA       THR  70  -0.885   6.944  -7.963
  539    HB   THR  70           HB       THR  70  -2.336   7.428  -6.116
  540    HG1  THR  70           1HG      THR  70  -0.049   8.383  -4.715
  541   1HG2  THR  70          1HG2      THR  70  -0.984   5.279  -6.015
  542   2HG2  THR  70          2HG2      THR  70   0.126   6.094  -4.903
  543   3HG2  THR  70          3HG2      THR  70  -1.574   5.875  -4.451
  544    H    GLY  71           H        GLY  71   0.815   9.934  -7.221
  545   1HA   GLY  71          1HA       GLY  71   0.480  12.050  -8.014
  546   2HA   GLY  71          2HA       GLY  71  -0.888  11.490  -8.987
  547    H    ARG  72           H        ARG  72  -1.252  10.537  -5.665
  548    HA   ARG  72           HA       ARG  72  -2.490  13.117  -4.892
  549   1HB   ARG  72          2HB       ARG  72  -4.290  11.455  -5.665
  550   2HB   ARG  72          3HB       ARG  72  -3.889  10.502  -4.233
  551   1HG   ARG  72          2HG       ARG  72  -4.223  12.734  -2.907
  552   2HG   ARG  72          3HG       ARG  72  -4.907  13.368  -4.404
  553   1HD   ARG  72          2HD       ARG  72  -6.492  11.292  -4.278
  554   2HD   ARG  72          3HD       ARG  72  -5.975  11.175  -2.592
  555    HE   ARG  72           HE       ARG  72  -7.694  13.174  -3.865
  556   1HH1  ARG  72          1HH2      ARG  72  -5.733  12.575  -0.949
  557   2HH1  ARG  72          2HH2      ARG  72  -6.595  13.716   0.025
  558   1HH2  ARG  72          1HH1      ARG  72  -8.804  14.698  -2.580
  559   2HH2  ARG  72          2HH1      ARG  72  -8.376  14.943  -0.934
  560    H    GLY  73           H        GLY  73  -0.294  13.241  -4.032
  561   1HA   GLY  73          1HA       GLY  73   0.608  11.616  -1.841
  562   2HA   GLY  73          2HA       GLY  73   1.091  13.286  -2.219
  563    H    THR  74           H        THR  74  -1.768  14.271  -2.110
  564    HA   THR  74           HA       THR  74  -1.994  14.903   0.652
  565    HB   THR  74           HB       THR  74  -4.417  15.511  -0.337
  566    HG1  THR  74           1HG      THR  74  -4.308  15.870  -2.549
  567   1HG2  THR  74          1HG2      THR  74  -3.463  17.656  -1.118
  568   2HG2  THR  74          2HG2      THR  74  -2.709  17.128   0.395
  569   3HG2  THR  74          3HG2      THR  74  -1.836  16.932  -1.142
  570    H    VAL  75           H        VAL  75  -3.089  13.921   2.256
  571    HA   VAL  75           HA       VAL  75  -4.184  11.242   1.789
  572    HB   VAL  75           HB       VAL  75  -4.525  11.334   4.297
  573   1HG1  VAL  75          1HG1      VAL  75  -1.691  11.800   3.278
  574   2HG1  VAL  75          2HG1      VAL  75  -2.154  10.984   4.785
  575   3HG1  VAL  75          3HG1      VAL  75  -2.581  10.264   3.229
  576   1HG2  VAL  75          1HG2      VAL  75  -4.584  13.829   4.556
  577   2HG2  VAL  75          2HG2      VAL  75  -3.465  13.004   5.638
  578   3HG2  VAL  75          3HG2      VAL  75  -2.836  13.868   4.224
  579    HA   PRO  76           HA       PRO  76  -5.692   9.939   3.073
  580   1HB   PRO  76          2HB       PRO  76  -8.046   8.648   2.669
  581   2HB   PRO  76          3HB       PRO  76  -7.727   9.615   4.138
  582   1HG   PRO  76          2HG       PRO  76  -9.232  10.443   1.644
  583   2HG   PRO  76          3HG       PRO  76  -9.709  10.674   3.360
  584   1HD   PRO  76          2HD       PRO  76  -8.512  12.642   1.857
  585   2HD   PRO  76          3HD       PRO  76  -8.251  12.483   3.619
  586    H    ASN  77           H        ASN  77  -5.582   7.978   1.708
  587    HA   ASN  77           HA       ASN  77  -6.091   8.338  -1.200
  588   1HB   ASN  77          2HB       ASN  77  -3.771   9.095  -0.654
  589   2HB   ASN  77          3HB       ASN  77  -3.424   7.524   0.051
  590   1HD2  ASN  77          2HD2      ASN  77  -2.612   9.218  -2.522
  591   2HD2  ASN  77          1HD2      ASN  77  -2.494   7.970  -3.713
  592    H    VAL  78           H        VAL  78  -7.188   6.509  -1.832
  593    HA   VAL  78           HA       VAL  78  -7.214   4.245   0.117
  594    HB   VAL  78           HB       VAL  78  -9.528   5.309  -1.544
  595   1HG1  VAL  78          1HG1      VAL  78  -9.836   2.951  -0.980
  596   2HG1  VAL  78          2HG1      VAL  78  -9.384   3.252   0.710
  597   3HG1  VAL  78          3HG1      VAL  78 -10.892   3.915   0.052
  598   1HG2  VAL  78          1HG2      VAL  78  -8.905   5.752   1.411
  599   2HG2  VAL  78          2HG2      VAL  78  -8.972   7.004   0.149
  600   3HG2  VAL  78          3HG2      VAL  78 -10.442   6.157   0.615
  601    H    PHE  79           H        PHE  79  -7.211   2.219  -0.582
  602    HA   PHE  79           HA       PHE  79  -7.115   1.633  -3.493
  603   1HB   PHE  79          2HB       PHE  79  -5.472   0.465  -1.202
  604   2HB   PHE  79          3HB       PHE  79  -5.667  -0.343  -2.741
  605    HD1  PHE  79           1HD      PHE  79  -3.997  -0.095  -4.334
  606    HD2  PHE  79           2HD      PHE  79  -4.529   3.008  -1.382
  607    HE1  PHE  79           1HE      PHE  79  -2.044   1.117  -5.249
  608    HE2  PHE  79           2HE      PHE  79  -2.553   4.188  -2.280
  609    HZ   PHE  79           HZ       PHE  79  -1.303   3.251  -4.213
  610    H    ILE  80           H        ILE  80  -8.304  -0.193  -4.070
  611    HA   ILE  80           HA       ILE  80  -9.531  -1.865  -1.986
  612    HB   ILE  80           HB       ILE  80 -11.159  -0.516  -4.189
  613   1HG1  ILE  80          2HG1      ILE  80 -11.524  -0.351  -1.174
  614   2HG1  ILE  80          3HG1      ILE  80 -10.758   0.907  -2.137
  615   1HG2  ILE  80          1HG2      ILE  80 -13.071  -1.855  -3.084
  616   2HG2  ILE  80          2HG2      ILE  80 -11.915  -2.751  -4.053
  617   3HG2  ILE  80          3HG2      ILE  80 -11.808  -2.787  -2.278
  618   1HD1  ILE  80          1HD1      ILE  80 -13.673   0.079  -2.302
  619   2HD1  ILE  80          2HD1      ILE  80 -12.990   1.580  -1.672
  620   3HD1  ILE  80          3HD1      ILE  80 -12.878   1.224  -3.403
  621    H    GLY  81           H        GLY  81  -9.552  -3.981  -2.692
  622   1HA   GLY  81          1HA       GLY  81  -9.027  -5.814  -3.953
  623   2HA   GLY  81          2HA       GLY  81  -9.508  -4.890  -5.388
  624    H    GLY  82           H        GLY  82  -6.889  -3.841  -3.218
  625   1HA   GLY  82          1HA       GLY  82  -4.651  -3.575  -3.527
  626   2HA   GLY  82          2HA       GLY  82  -4.685  -4.910  -4.686
  627    H    LYS  83           H        LYS  83  -6.771  -2.113  -5.349
  628    HA   LYS  83           HA       LYS  83  -4.804  -1.083  -7.346
  629   1HB   LYS  83          2HB       LYS  83  -6.622  -2.527  -8.315
  630   2HB   LYS  83          3HB       LYS  83  -7.824  -1.403  -7.662
  631   1HG   LYS  83          2HG       LYS  83  -6.824   0.430  -9.033
  632   2HG   LYS  83          3HG       LYS  83  -5.653  -0.708  -9.700
  633   1HD   LYS  83          2HD       LYS  83  -8.688  -0.851  -9.982
  634   2HD   LYS  83          3HD       LYS  83  -7.586  -0.262 -11.218
  635   1HE   LYS  83          2HE       LYS  83  -7.637  -3.114 -10.123
  636   2HE   LYS  83          3HE       LYS  83  -8.410  -2.584 -11.615
  637   1HZ   LYS  83          1HZ       LYS  83  -6.224  -2.000 -12.483
  638   2HZ   LYS  83          2HZ       LYS  83  -5.491  -2.518 -11.115
  639   3HZ   LYS  83          3HZ       LYS  83  -6.279  -3.572 -12.072
  640    H    GLN  84           H        GLN  84  -4.675   1.142  -7.441
  641    HA   GLN  84           HA       GLN  84  -5.579   2.703  -5.210
  642   1HB   GLN  84          2HB       GLN  84  -3.528   2.958  -6.857
  643   2HB   GLN  84          3HB       GLN  84  -4.655   3.825  -7.888
  644   1HG   GLN  84          2HG       GLN  84  -3.844   4.520  -5.034
  645   2HG   GLN  84          3HG       GLN  84  -3.288   5.309  -6.504
  646   1HE2  GLN  84          2HE2      GLN  84  -4.977   6.085  -3.953
  647   2HE2  GLN  84          1HE2      GLN  84  -6.300   6.994  -4.626
  648    H    ILE  85           H        ILE  85  -7.516   3.848  -5.008
  649    HA   ILE  85           HA       ILE  85  -9.387   3.752  -7.344
  650    HB   ILE  85           HB       ILE  85  -9.989   4.057  -4.381
  651   1HG1  ILE  85          2HG1      ILE  85  -9.189   1.833  -4.682
  652   2HG1  ILE  85          3HG1      ILE  85 -10.928   1.780  -4.527
  653   1HG2  ILE  85          1HG2      ILE  85 -11.721   5.120  -5.723
  654   2HG2  ILE  85          2HG2      ILE  85 -11.849   3.693  -6.768
  655   3HG2  ILE  85          3HG2      ILE  85 -12.341   3.607  -5.060
  656   1HD1  ILE  85          1HD1      ILE  85  -9.335   1.420  -7.103
  657   2HD1  ILE  85          2HD1      ILE  85 -10.233   0.188  -6.217
  658   3HD1  ILE  85          3HD1      ILE  85 -11.107   1.495  -7.034
  659    H    GLY  86           H        GLY  86  -8.343   5.909  -4.614
  660   1HA   GLY  86          1HA       GLY  86  -7.948   8.239  -6.047
  661   2HA   GLY  86          2HA       GLY  86  -9.690   8.188  -5.752
  662    H    GLY  87           H        GLY  87  -9.922   9.723  -4.208
  663   1HA   GLY  87          1HA       GLY  87  -8.619   9.282  -1.558
  664   2HA   GLY  87          2HA       GLY  87  -8.707  10.896  -2.275
  665    H    CYS  88           H        CYS  88  -9.976  11.485  -0.402
  666    HA   CYS  88           HA       CYS  88 -12.261  10.223   0.553
  667   1HB   CYS  88          2HB       CYS  88 -12.837  12.619   1.360
  668   2HB   CYS  88          3HB       CYS  88 -11.329  11.897   1.922
  669    HG   CYS  88           HG       CYS  88 -11.040  14.507   1.392
  670    H    ASP  89           H        ASP  89 -12.204  12.966  -1.758
  671    HA   ASP  89           HA       ASP  89 -15.000  13.058  -2.118
  672   1HB   ASP  89          2HB       ASP  89 -13.510  14.863  -2.841
  673   2HB   ASP  89          3HB       ASP  89 -12.756  13.805  -4.038
  674    H    THR  90           H        THR  90 -12.553  11.027  -3.782
  675    HA   THR  90           HA       THR  90 -14.262  10.079  -5.823
  676    HB   THR  90           HB       THR  90 -12.056   8.420  -4.573
  677    HG1  THR  90           1HG      THR  90 -11.678  10.713  -6.202
  678   1HG2  THR  90          1HG2      THR  90 -13.243   7.457  -6.467
  679   2HG2  THR  90          2HG2      THR  90 -12.964   8.916  -7.438
  680   3HG2  THR  90          3HG2      THR  90 -11.598   7.884  -6.959
  681    H    VAL  91           H        VAL  91 -13.483   8.647  -2.544
  682    HA   VAL  91           HA       VAL  91 -15.275   6.447  -3.096
  683    HB   VAL  91           HB       VAL  91 -15.005   5.843  -0.722
  684   1HG1  VAL  91          1HG1      VAL  91 -12.652   5.216  -0.923
  685   2HG1  VAL  91          2HG1      VAL  91 -13.453   5.051  -2.490
  686   3HG1  VAL  91          3HG1      VAL  91 -12.388   6.440  -2.180
  687   1HG2  VAL  91          1HG2      VAL  91 -13.399   6.944   0.706
  688   2HG2  VAL  91          2HG2      VAL  91 -13.072   8.187  -0.513
  689   3HG2  VAL  91          3HG2      VAL  91 -14.658   8.110   0.279
  690    H    VAL  92           H        VAL  92 -15.770   9.643  -1.497
  691    HA   VAL  92           HA       VAL  92 -18.391   8.958  -0.537
  692    HB   VAL  92           HB       VAL  92 -17.056  11.611  -1.233
  693   1HG1  VAL  92          1HG1      VAL  92 -19.469  11.989  -1.434
  694   2HG1  VAL  92          2HG1      VAL  92 -19.759  11.166   0.115
  695   3HG1  VAL  92          3HG1      VAL  92 -18.880  12.712   0.064
  696   1HG2  VAL  92          1HG2      VAL  92 -16.150  10.341   0.749
  697   2HG2  VAL  92          2HG2      VAL  92 -16.892  11.880   1.196
  698   3HG2  VAL  92          3HG2      VAL  92 -17.772  10.361   1.463
  699    H    GLU  93           H        GLU  93 -17.219  10.397  -3.677
  700    HA   GLU  93           HA       GLU  93 -19.774  10.745  -4.840
  701   1HB   GLU  93          2HB       GLU  93 -17.615  11.675  -5.705
  702   2HB   GLU  93          3HB       GLU  93 -17.115  10.047  -6.164
  703   1HG   GLU  93          2HG       GLU  93 -19.575  10.266  -7.449
  704   2HG   GLU  93          3HG       GLU  93 -19.023  11.930  -7.472
  705    H    LYS  94           H        LYS  94 -17.494   7.940  -5.033
  706    HA   LYS  94           HA       LYS  94 -19.245   6.328  -6.622
  707   1HB   LYS  94          2HB       LYS  94 -16.961   5.596  -4.743
  708   2HB   LYS  94          3HB       LYS  94 -17.794   4.430  -5.785
  709   1HG   LYS  94          2HG       LYS  94 -17.116   5.625  -7.796
  710   2HG   LYS  94          3HG       LYS  94 -16.429   6.935  -6.853
  711   1HD   LYS  94          2HD       LYS  94 -14.556   5.684  -7.498
  712   2HD   LYS  94          3HD       LYS  94 -14.829   5.246  -5.819
  713   1HE   LYS  94          2HE       LYS  94 -14.358   3.205  -6.871
  714   2HE   LYS  94          3HE       LYS  94 -16.117   3.185  -6.713
  715   1HZ   LYS  94          1HZ       LYS  94 -14.624   3.911  -9.183
  716   2HZ   LYS  94          2HZ       LYS  94 -15.381   2.492  -8.929
  717   3HZ   LYS  94          3HZ       LYS  94 -16.259   3.858  -9.067
  718    H    HIS  95           H        HIS  95 -19.113   6.795  -3.042
  719    HA   HIS  95           HA       HIS  95 -21.004   4.682  -2.533
  720   1HB   HIS  95          2HB       HIS  95 -19.606   5.622  -0.743
  721   2HB   HIS  95          3HB       HIS  95 -20.372   7.196  -0.935
  722    HD1  HIS  95           1HD      HIS  95 -21.907   3.626  -0.388
  723    HD2  HIS  95           2HD      HIS  95 -22.064   7.604   0.972
  724    HE1  HIS  95           1HE      HIS  95 -23.734   3.704   1.373
  725    H    GLN  96           H        GLN  96 -21.387   8.231  -3.093
  726    HA   GLN  96           HA       GLN  96 -24.199   8.287  -2.784
  727   1HB   GLN  96          2HB       GLN  96 -22.270  10.025  -4.366
  728   2HB   GLN  96          3HB       GLN  96 -23.993  10.392  -4.233
  729   1HG   GLN  96          2HG       GLN  96 -23.871  10.585  -1.832
  730   2HG   GLN  96          3HG       GLN  96 -22.199  10.054  -1.785
  731   1HE2  GLN  96          2HE2      GLN  96 -23.300  12.580  -0.745
  732   2HE2  GLN  96          1HE2      GLN  96 -22.470  13.860  -1.590
  733    H    ARG  97           H        ARG  97 -22.201   7.604  -5.694
  734    HA   ARG  97           HA       ARG  97 -24.555   7.217  -7.385
  735   1HB   ARG  97          2HB       ARG  97 -21.599   6.627  -7.844
  736   2HB   ARG  97          3HB       ARG  97 -22.873   6.447  -9.059
  737   1HG   ARG  97          2HG       ARG  97 -23.459   8.892  -8.706
  738   2HG   ARG  97          3HG       ARG  97 -21.984   9.046  -7.751
  739   1HD   ARG  97          2HD       ARG  97 -22.172   8.214 -10.684
  740   2HD   ARG  97          3HD       ARG  97 -21.656   9.781 -10.073
  741    HE   ARG  97           HE       ARG  97 -19.604   8.904  -9.342
  742   1HH1  ARG  97          1HH2      ARG  97 -21.479   6.336 -10.976
  743   2HH1  ARG  97          2HH2      ARG  97 -20.112   5.261 -11.048
  744   1HH2  ARG  97          1HH1      ARG  97 -17.931   7.600  -9.489
  745   2HH2  ARG  97          2HH1      ARG  97 -18.072   5.916 -10.043
  746    H    ASN  98           H        ASN  98 -23.558   5.336  -4.896
  747    HA   ASN  98           HA       ASN  98 -23.581   3.200  -4.316
  748   1HB   ASN  98          2HB       ASN  98 -26.006   3.592  -4.669
  749   2HB   ASN  98          3HB       ASN  98 -25.852   2.929  -6.301
  750   1HD2  ASN  98          2HD2      ASN  98 -27.125   1.033  -6.001
  751   2HD2  ASN  98          1HD2      ASN  98 -26.697  -0.224  -4.871
  752    H    GLU  99           H        GLU  99 -21.574   3.728  -6.010
  753    HA   GLU  99           HA       GLU  99 -21.243   1.290  -7.704
  754   1HB   GLU  99          2HB       GLU  99 -21.063   3.526  -8.797
  755   2HB   GLU  99          3HB       GLU  99 -19.739   3.940  -7.702
  756   1HG   GLU  99          2HG       GLU  99 -18.388   2.072  -8.630
  757   2HG   GLU  99          3HG       GLU  99 -19.732   1.625  -9.696
  758    H    LEU 100           H        LEU 100 -20.035   3.151  -4.933
  759    HA   LEU 100           HA       LEU 100 -17.578   1.768  -4.551
  760   1HB   LEU 100          2HB       LEU 100 -18.218   3.890  -3.374
  761   2HB   LEU 100          3HB       LEU 100 -19.421   2.986  -2.448
  762    HG   LEU 100           HG       LEU 100 -17.557   1.610  -1.477
  763   1HD1  LEU 100          1HD1      LEU 100 -15.779   3.616  -2.938
  764   2HD1  LEU 100          2HD1      LEU 100 -15.235   2.514  -1.655
  765   3HD1  LEU 100          3HD1      LEU 100 -15.820   1.851  -3.180
  766   1HD2  LEU 100          1HD2      LEU 100 -16.731   3.356   0.041
  767   2HD2  LEU 100          2HD2      LEU 100 -17.325   4.611  -1.067
  768   3HD2  LEU 100          3HD2      LEU 100 -18.466   3.518  -0.250
  769    H    LEU 101           H        LEU 101 -20.928   0.990  -3.508
  770    HA   LEU 101           HA       LEU 101 -20.143  -1.182  -1.826
  771   1HB   LEU 101          2HB       LEU 101 -22.751  -0.283  -3.027
  772   2HB   LEU 101          3HB       LEU 101 -22.639  -1.938  -2.462
  773    HG   LEU 101           HG       LEU 101 -23.610  -0.505  -0.782
  774   1HD1  LEU 101          1HD1      LEU 101 -22.193  -2.468  -0.086
  775   2HD1  LEU 101          2HD1      LEU 101 -20.849  -1.341   0.196
  776   3HD1  LEU 101          3HD1      LEU 101 -22.348  -1.199   1.130
  777   1HD2  LEU 101          1HD2      LEU 101 -22.424   1.263   0.344
  778   2HD2  LEU 101          2HD2      LEU 101 -20.967   1.003  -0.643
  779   3HD2  LEU 101          3HD2      LEU 101 -22.470   1.610  -1.394
  780    HA   PRO 102           HA       PRO 102 -20.886  -4.046  -5.750
  781   1HB   PRO 102          2HB       PRO 102 -20.104  -1.837  -7.688
  782   2HB   PRO 102          3HB       PRO 102 -20.986  -3.355  -8.032
  783   1HG   PRO 102          2HG       PRO 102 -22.354  -1.055  -7.669
  784   2HG   PRO 102          3HG       PRO 102 -22.936  -2.564  -6.895
  785   1HD   PRO 102          2HD       PRO 102 -21.479  -0.256  -5.636
  786   2HD   PRO 102          3HD       PRO 102 -22.760  -1.306  -4.975
  787    H    LEU 103           H        LEU 103 -18.432  -1.376  -5.931
  788    HA   LEU 103           HA       LEU 103 -16.282  -3.047  -6.741
  789   1HB   LEU 103          2HB       LEU 103 -16.249  -0.637  -7.017
  790   2HB   LEU 103          3HB       LEU 103 -16.387  -0.385  -5.277
  791    HG   LEU 103           HG       LEU 103 -14.160  -1.328  -4.912
  792   1HD1  LEU 103          1HD1      LEU 103 -13.947  -2.920  -6.775
  793   2HD1  LEU 103          2HD1      LEU 103 -13.996  -1.585  -7.947
  794   3HD1  LEU 103          3HD1      LEU 103 -12.627  -1.751  -6.825
  795   1HD2  LEU 103          1HD2      LEU 103 -14.135   0.810  -7.069
  796   2HD2  LEU 103          2HD2      LEU 103 -14.479   1.094  -5.342
  797   3HD2  LEU 103          3HD2      LEU 103 -12.888   0.507  -5.841
  798    H    LEU 104           H        LEU 104 -17.322  -2.007  -3.445
  799    HA   LEU 104           HA       LEU 104 -15.187  -3.320  -2.062
  800   1HB   LEU 104          2HB       LEU 104 -17.956  -2.400  -1.233
  801   2HB   LEU 104          3HB       LEU 104 -16.858  -3.206  -0.124
  802    HG   LEU 104           HG       LEU 104 -16.083  -0.625  -1.551
  803   1HD1  LEU 104          1HD1      LEU 104 -18.082  -0.265  -0.133
  804   2HD1  LEU 104          2HD1      LEU 104 -17.235  -0.992   1.242
  805   3HD1  LEU 104          3HD1      LEU 104 -16.641   0.523   0.538
  806   1HD2  LEU 104          1HD2      LEU 104 -14.957  -2.027   0.907
  807   2HD2  LEU 104          2HD2      LEU 104 -14.177  -1.948  -0.688
  808   3HD2  LEU 104          3HD2      LEU 104 -14.411  -0.471   0.248
  809    H    GLN 105           H        GLN 105 -18.471  -4.420  -3.024
  810    HA   GLN 105           HA       GLN 105 -18.320  -6.924  -1.649
  811   1HB   GLN 105          2HB       GLN 105 -19.928  -6.025  -4.078
  812   2HB   GLN 105          3HB       GLN 105 -20.108  -7.608  -3.302
  813   1HG   GLN 105          2HG       GLN 105 -20.726  -6.529  -1.179
  814   2HG   GLN 105          3HG       GLN 105 -20.508  -4.945  -1.906
  815   1HE2  GLN 105          2HE2      GLN 105 -22.735  -4.354  -1.480
  816   2HE2  GLN 105          1HE2      GLN 105 -24.032  -5.030  -2.437
  817    H    ASP 106           H        ASP 106 -17.427  -5.907  -4.944
  818    HA   ASP 106           HA       ASP 106 -16.634  -8.475  -5.916
  819   1HB   ASP 106          2HB       ASP 106 -17.092  -6.618  -7.394
  820   2HB   ASP 106          3HB       ASP 106 -15.784  -5.670  -6.686
  821    H    ALA 107           H        ALA 107 -14.878  -5.936  -4.106
  822    HA   ALA 107           HA       ALA 107 -12.391  -7.435  -3.991
  823   1HB   ALA 107          1HB       ALA 107 -13.386  -5.096  -2.309
  824   2HB   ALA 107          2HB       ALA 107 -11.716  -5.688  -2.407
  825   3HB   ALA 107          3HB       ALA 107 -12.482  -4.979  -3.839
  826    H    ALA 108           H        ALA 108 -15.298  -8.271  -2.703
  827    HA   ALA 108           HA       ALA 108 -16.086  -9.465  -1.025
  828   1HB   ALA 108          1HB       ALA 108 -13.242 -10.501  -0.705
  829   2HB   ALA 108          2HB       ALA 108 -14.713 -11.284  -0.120
  830   3HB   ALA 108          3HB       ALA 108 -14.443 -11.113  -1.862
  831    H    ALA 109           H        ALA 109 -15.051  -6.727  -0.375
  832    HA   ALA 109           HA       ALA 109 -13.842  -6.935   2.277
  833   1HB   ALA 109          1HB       ALA 109 -13.158  -5.250   0.579
  834   2HB   ALA 109          2HB       ALA 109 -14.774  -4.516   0.667
  835   3HB   ALA 109          3HB       ALA 109 -13.714  -4.502   2.093
  836    H    THR 110           H        THR 110 -17.125  -6.263   0.976
  837    HA   THR 110           HA       THR 110 -17.952  -5.109   3.522
  838    HB   THR 110           HB       THR 110 -20.133  -4.952   1.914
  839    HG1  THR 110           1HG      THR 110 -19.419  -4.535  -0.179
  840   1HG2  THR 110          1HG2      THR 110 -17.668  -3.173   1.961
  841   2HG2  THR 110          2HG2      THR 110 -19.227  -2.691   1.248
  842   3HG2  THR 110          3HG2      THR 110 -19.114  -3.045   2.977
  843    H    ALA 111           H        ALA 111 -18.950  -6.198   5.018
  844    HA   ALA 111           HA       ALA 111 -19.264  -8.988   4.871
  845   1HB   ALA 111          1HB       ALA 111 -18.815  -7.688   6.902
  846   2HB   ALA 111          2HB       ALA 111 -20.448  -6.983   6.831
  847   3HB   ALA 111          3HB       ALA 111 -20.239  -8.730   7.117
  848    H    LYS 112           H        LYS 112 -21.488  -6.583   3.728
  849    HA   LYS 112           HA       LYS 112 -23.935  -8.041   3.947
  850   1HB   LYS 112          2HB       LYS 112 -23.728  -5.622   3.362
  851   2HB   LYS 112          3HB       LYS 112 -23.032  -6.068   1.795
  852   1HG   LYS 112          2HG       LYS 112 -25.131  -7.208   1.167
  853   2HG   LYS 112          3HG       LYS 112 -25.809  -6.876   2.774
  854   1HD   LYS 112          2HD       LYS 112 -25.649  -4.437   2.326
  855   2HD   LYS 112          3HD       LYS 112 -24.985  -4.780   0.712
  856   1HE   LYS 112          2HE       LYS 112 -27.057  -6.010   0.118
  857   2HE   LYS 112          3HE       LYS 112 -27.710  -5.711   1.733
  858   1HZ   LYS 112          1HZ       LYS 112 -28.577  -4.139   0.130
  859   2HZ   LYS 112          2HZ       LYS 112 -27.690  -3.338   1.235
  860   3HZ   LYS 112          3HZ       LYS 112 -27.088  -3.610  -0.262
  861    H    ASN 113           H        ASN 113 -21.230  -8.218   1.643
  862    HA   ASN 113           HA       ASN 113 -22.113 -10.793   0.616
  863   1HB   ASN 113          2HB       ASN 113 -23.530  -9.439  -0.806
  864   2HB   ASN 113          3HB       ASN 113 -22.198  -8.341  -1.152
  865   1HD2  ASN 113          2HD2      ASN 113 -22.372  -8.663  -3.431
  866   2HD2  ASN 113          1HD2      ASN 113 -21.741 -10.134  -4.162
  867    HA   PRO 114           HA       PRO 114 -17.614  -9.717   0.751
  868   1HB   PRO 114          2HB       PRO 114 -16.694 -11.412   2.649
  869   2HB   PRO 114          3HB       PRO 114 -17.680  -9.988   3.070
  870   1HG   PRO 114          2HG       PRO 114 -18.643 -12.850   2.711
  871   2HG   PRO 114          3HG       PRO 114 -18.949 -11.746   4.090
  872   1HD   PRO 114          2HD       PRO 114 -20.708 -12.052   1.994
  873   2HD   PRO 114          3HD       PRO 114 -20.513 -10.512   2.878
  874    H    ALA 115           H        ALA 115 -18.449 -10.858  -1.497
  875    HA   ALA 115           HA       ALA 115 -16.644 -13.165  -1.911
  876   1HB   ALA 115          1HB       ALA 115 -19.629 -13.284  -2.530
  877   2HB   ALA 115          2HB       ALA 115 -18.409 -14.454  -3.086
  878   3HB   ALA 115          3HB       ALA 115 -18.738 -14.270  -1.354
  879    H    GLN 116           H        GLN 116 -19.248 -11.979  -4.062
  880    HA   GLN 116           HA       GLN 116 -17.387 -10.481  -5.753
  881   1HB   GLN 116          2HB       GLN 116 -18.822 -13.013  -6.705
  882   2HB   GLN 116          3HB       GLN 116 -18.062 -11.824  -7.764
  883   1HG   GLN 116          2HG       GLN 116 -15.855 -12.300  -6.661
  884   2HG   GLN 116          3HG       GLN 116 -16.633 -13.604  -5.754
  885   1HE2  GLN 116          2HE2      GLN 116 -15.383 -12.631  -8.904
  886   2HE2  GLN 116          1HE2      GLN 116 -15.628 -14.166  -9.695
  887    H    LEU 117           H        LEU 117 -18.651  -9.339  -7.467
  888    HA   LEU 117           HA       LEU 117 -21.563  -9.441  -7.282
  889   1HB   LEU 117          2HB       LEU 117 -20.857  -7.708  -5.629
  890   2HB   LEU 117          3HB       LEU 117 -20.014  -6.835  -6.898
  891    HG   LEU 117           HG       LEU 117 -22.194  -5.883  -6.252
  892   1HD1  LEU 117          1HD1      LEU 117 -22.452  -6.806  -9.127
  893   2HD1  LEU 117          2HD1      LEU 117 -22.996  -5.298  -8.386
  894   3HD1  LEU 117          3HD1      LEU 117 -21.262  -5.599  -8.600
  895   1HD2  LEU 117          1HD2      LEU 117 -24.306  -6.914  -6.797
  896   2HD2  LEU 117          2HD2      LEU 117 -23.506  -8.325  -7.512
  897   3HD2  LEU 117          3HD2      LEU 117 -23.382  -8.014  -5.766
  Start of MODEL    3
    1   1H    MET   1           H1       MET   1  20.237  11.012   1.932
    2   2H    MET   1           H2       MET   1  19.409  10.691   0.551
    3   3H    MET   1           H3       MET   1  19.785   9.474   1.577
    4    HA   MET   1           HA       MET   1  21.715  11.123   0.101
    5   1HB   MET   1          2HB       MET   1  22.533  10.212   2.285
    6   2HB   MET   1          3HB       MET   1  22.317   8.576   1.669
    7   1HG   MET   1          2HG       MET   1  24.075  10.714   0.382
    8   2HG   MET   1          3HG       MET   1  24.645   9.534   1.553
    9   1HE   MET   1          1HE       MET   1  26.030  10.070  -1.257
   10   2HE   MET   1          2HE       MET   1  26.630   8.905  -0.054
   11   3HE   MET   1          3HE       MET   1  26.411   8.404  -1.746
   12    H    ALA   2           H        ALA   2  21.043   7.550   0.269
   13    HA   ALA   2           HA       ALA   2  20.948   7.368  -2.655
   14   1HB   ALA   2          1HB       ALA   2  20.395   5.303  -0.470
   15   2HB   ALA   2          2HB       ALA   2  20.581   4.976  -2.204
   16   3HB   ALA   2          3HB       ALA   2  21.964   5.571  -1.269
   17    H    SER   3           H        SER   3  19.127   9.255  -1.892
   18    HA   SER   3           HA       SER   3  16.713   8.520  -0.822
   19   1HB   SER   3          2HB       SER   3  17.160  10.748  -2.823
   20   2HB   SER   3          3HB       SER   3  15.992  10.699  -1.487
   21    HG   SER   3           HG       SER   3  17.869  11.912  -0.966
   22    H    LYS   4           H        LYS   4  17.669   8.168  -4.223
   23    HA   LYS   4           HA       LYS   4  15.002   7.676  -5.229
   24   1HB   LYS   4          2HB       LYS   4  17.725   6.735  -6.249
   25   2HB   LYS   4          3HB       LYS   4  16.192   6.521  -7.105
   26   1HG   LYS   4          2HG       LYS   4  15.859   8.980  -7.156
   27   2HG   LYS   4          3HG       LYS   4  17.422   9.209  -6.347
   28   1HD   LYS   4          2HD       LYS   4  18.560   8.048  -8.230
   29   2HD   LYS   4          3HD       LYS   4  17.016   7.878  -9.069
   30   1HE   LYS   4          2HE       LYS   4  18.310  10.530  -8.268
   31   2HE   LYS   4          3HE       LYS   4  18.442   9.789  -9.864
   32   1HZ   LYS   4          1HZ       LYS   4  16.035   9.991 -10.097
   33   2HZ   LYS   4          2HZ       LYS   4  15.912  10.710  -8.630
   34   3HZ   LYS   4          3HZ       LYS   4  16.715  11.446  -9.839
   35    H    GLN   5           H        GLN   5  17.518   5.522  -3.797
   36    HA   GLN   5           HA       GLN   5  15.878   3.166  -4.230
   37   1HB   GLN   5          2HB       GLN   5  18.341   3.036  -4.157
   38   2HB   GLN   5          3HB       GLN   5  18.332   3.574  -2.474
   39   1HG   GLN   5          2HG       GLN   5  18.649   1.134  -2.683
   40   2HG   GLN   5          3HG       GLN   5  17.211   1.534  -1.761
   41   1HE2  GLN   5          2HE2      GLN   5  15.120   1.094  -2.679
   42   2HE2  GLN   5          1HE2      GLN   5  14.881   0.102  -4.099
   43    H    GLU   6           H        GLU   6  16.307   5.585  -1.605
   44    HA   GLU   6           HA       GLU   6  14.807   4.090   0.347
   45   1HB   GLU   6          2HB       GLU   6  15.187   7.097   0.027
   46   2HB   GLU   6          3HB       GLU   6  14.391   6.313   1.392
   47   1HG   GLU   6          2HG       GLU   6  16.480   5.045   1.880
   48   2HG   GLU   6          3HG       GLU   6  17.294   5.902   0.571
   49    H    LEU   7           H        LEU   7  13.848   6.483  -2.162
   50    HA   LEU   7           HA       LEU   7  11.080   6.490  -1.596
   51   1HB   LEU   7          2HB       LEU   7  12.325   8.121  -3.043
   52   2HB   LEU   7          3HB       LEU   7  12.518   6.858  -4.257
   53    HG   LEU   7           HG       LEU   7   9.999   6.736  -4.464
   54   1HD1  LEU   7          1HD1      LEU   7   8.721   8.711  -3.592
   55   2HD1  LEU   7          2HD1      LEU   7   9.313   7.661  -2.296
   56   3HD1  LEU   7          3HD1      LEU   7  10.146   9.190  -2.647
   57   1HD2  LEU   7          1HD2      LEU   7  11.391   8.032  -6.027
   58   2HD2  LEU   7          2HD2      LEU   7   9.826   8.817  -5.764
   59   3HD2  LEU   7          3HD2      LEU   7  11.285   9.451  -4.965
   60    H    ASP   8           H        ASP   8  13.023   4.397  -3.799
   61    HA   ASP   8           HA       ASP   8  10.789   2.884  -4.760
   62   1HB   ASP   8          2HB       ASP   8  12.864   2.906  -5.987
   63   2HB   ASP   8          3HB       ASP   8  13.768   2.327  -4.591
   64    H    ALA   9           H        ALA   9  12.939   2.403  -1.912
   65    HA   ALA   9           HA       ALA   9  11.815  -0.160  -1.241
   66   1HB   ALA   9          1HB       ALA   9  13.198   1.923   0.522
   67   2HB   ALA   9          2HB       ALA   9  12.877   0.235   0.966
   68   3HB   ALA   9          3HB       ALA   9  13.999   0.602  -0.359
   69    H    ALA  10           H        ALA  10  11.054   3.224  -0.307
   70    HA   ALA  10           HA       ALA  10   8.891   2.633   1.440
   71   1HB   ALA  10          1HB       ALA  10   9.403   5.067  -0.329
   72   2HB   ALA  10          2HB       ALA  10   8.232   4.972   0.991
   73   3HB   ALA  10          3HB       ALA  10   9.960   4.836   1.342
   74    H    LEU  11           H        LEU  11   8.982   3.109  -2.151
   75    HA   LEU  11           HA       LEU  11   6.198   2.747  -2.581
   76   1HB   LEU  11          2HB       LEU  11   7.704   3.592  -4.325
   77   2HB   LEU  11          3HB       LEU  11   8.586   2.070  -4.344
   78    HG   LEU  11           HG       LEU  11   6.605   0.869  -5.202
   79   1HD1  LEU  11          1HD1      LEU  11   4.749   2.122  -4.297
   80   2HD1  LEU  11          2HD1      LEU  11   5.313   3.617  -5.068
   81   3HD1  LEU  11          3HD1      LEU  11   4.675   2.276  -6.051
   82   1HD2  LEU  11          1HD2      LEU  11   6.609   1.871  -7.447
   83   2HD2  LEU  11          2HD2      LEU  11   7.342   3.351  -6.793
   84   3HD2  LEU  11          3HD2      LEU  11   8.239   1.819  -6.759
   85    H    LYS  12           H        LYS  12   8.839   0.286  -2.439
   86    HA   LYS  12           HA       LYS  12   7.127  -1.901  -2.963
   87   1HB   LYS  12          2HB       LYS  12   9.606  -1.985  -2.987
   88   2HB   LYS  12          3HB       LYS  12   9.640  -1.807  -1.227
   89   1HG   LYS  12          2HG       LYS  12   8.441  -3.959  -0.969
   90   2HG   LYS  12          3HG       LYS  12   8.354  -4.123  -2.736
   91   1HD   LYS  12          2HD       LYS  12  10.838  -4.180  -2.856
   92   2HD   LYS  12          3HD       LYS  12  10.932  -3.915  -1.112
   93   1HE   LYS  12          2HE       LYS  12  11.314  -6.237  -1.500
   94   2HE   LYS  12          3HE       LYS  12   9.743  -6.066  -0.715
   95   1HZ   LYS  12          1HZ       LYS  12   9.686  -7.642  -2.552
   96   2HZ   LYS  12          2HZ       LYS  12   8.703  -6.391  -2.891
   97   3HZ   LYS  12          3HZ       LYS  12  10.164  -6.514  -3.620
   98    H    LYS  13           H        LYS  13   7.941  -0.342   0.216
   99    HA   LYS  13           HA       LYS  13   6.215  -2.166   1.605
  100   1HB   LYS  13          2HB       LYS  13   8.066  -0.824   2.669
  101   2HB   LYS  13          3HB       LYS  13   6.996   0.595   2.622
  102   1HG   LYS  13          2HG       LYS  13   5.335  -0.559   4.002
  103   2HG   LYS  13          3HG       LYS  13   6.195  -2.093   3.821
  104   1HD   LYS  13          2HD       LYS  13   8.123  -1.102   5.118
  105   2HD   LYS  13          3HD       LYS  13   7.127   0.337   5.382
  106   1HE   LYS  13          2HE       LYS  13   6.898  -1.053   7.329
  107   2HE   LYS  13          3HE       LYS  13   5.370  -1.117   6.447
  108   1HZ   LYS  13          1HZ       LYS  13   7.475  -3.208   6.372
  109   2HZ   LYS  13          2HZ       LYS  13   6.085  -3.301   7.208
  110   3HZ   LYS  13          3HZ       LYS  13   6.041  -3.315   5.576
  111    H    ALA  14           H        ALA  14   5.545   1.026   0.059
  112    HA   ALA  14           HA       ALA  14   2.887   1.254   0.983
  113   1HB   ALA  14          1HB       ALA  14   2.487   2.655  -0.950
  114   2HB   ALA  14          2HB       ALA  14   4.082   3.039  -0.268
  115   3HB   ALA  14          3HB       ALA  14   3.949   2.068  -1.754
  116    H    LYS  15           H        LYS  15   4.183  -0.577  -1.864
  117    HA   LYS  15           HA       LYS  15   1.636  -1.555  -2.718
  118   1HB   LYS  15          2HB       LYS  15   4.460  -2.642  -3.067
  119   2HB   LYS  15          3HB       LYS  15   3.032  -3.390  -3.794
  120   1HG   LYS  15          2HG       LYS  15   2.509  -1.390  -5.043
  121   2HG   LYS  15          3HG       LYS  15   3.825  -0.483  -4.275
  122   1HD   LYS  15          2HD       LYS  15   5.485  -1.991  -5.302
  123   2HD   LYS  15          3HD       LYS  15   4.176  -2.957  -6.025
  124   1HE   LYS  15          2HE       LYS  15   3.393  -0.932  -7.260
  125   2HE   LYS  15          3HE       LYS  15   4.734  -0.005  -6.580
  126   1HZ   LYS  15          1HZ       LYS  15   5.009  -2.363  -8.362
  127   2HZ   LYS  15          2HZ       LYS  15   5.247  -0.816  -8.802
  128   3HZ   LYS  15          3HZ       LYS  15   6.262  -1.521  -7.738
  129    H    GLU  16           H        GLU  16   4.024  -2.932  -0.404
  130    HA   GLU  16           HA       GLU  16   2.634  -5.325   0.183
  131   1HB   GLU  16          2HB       GLU  16   4.933  -4.877   0.903
  132   2HB   GLU  16          3HB       GLU  16   4.396  -3.545   1.920
  133   1HG   GLU  16          2HG       GLU  16   3.093  -5.161   3.322
  134   2HG   GLU  16          3HG       GLU  16   3.747  -6.477   2.341
  135    H    LEU  17           H        LEU  17   2.444  -2.116   1.808
  136    HA   LEU  17           HA       LEU  17   0.421  -2.793   3.667
  137   1HB   LEU  17          2HB       LEU  17   1.285  -0.167   2.409
  138   2HB   LEU  17          3HB       LEU  17   0.043  -0.239   3.653
  139    HG   LEU  17           HG       LEU  17   2.823  -1.411   4.101
  140   1HD1  LEU  17          1HD1      LEU  17   3.111   0.953   3.548
  141   2HD1  LEU  17          2HD1      LEU  17   1.848   1.406   4.708
  142   3HD1  LEU  17          3HD1      LEU  17   3.376   0.702   5.279
  143   1HD2  LEU  17          1HD2      LEU  17   2.255  -1.113   6.480
  144   2HD2  LEU  17          2HD2      LEU  17   0.655  -0.490   6.035
  145   3HD2  LEU  17          3HD2      LEU  17   1.098  -2.178   5.680
  146    H    ALA  18           H        ALA  18   0.152  -1.335   0.397
  147    HA   ALA  18           HA       ALA  18  -2.647  -1.037   0.311
  148   1HB   ALA  18          1HB       ALA  18  -1.094   0.031  -1.281
  149   2HB   ALA  18          2HB       ALA  18  -0.681  -1.564  -1.953
  150   3HB   ALA  18          3HB       ALA  18  -2.324  -0.921  -2.131
  151    H    SER  19           H        SER  19  -0.777  -3.964   0.231
  152    HA   SER  19           HA       SER  19  -3.028  -5.517  -0.950
  153   1HB   SER  19          2HB       SER  19  -0.128  -6.332  -0.533
  154   2HB   SER  19          3HB       SER  19  -1.365  -7.181  -1.475
  155    HG   SER  19           HG       SER  19  -0.047  -4.733  -2.002
  156    H    SER  20           H        SER  20  -1.879  -4.612   2.088
  157    HA   SER  20           HA       SER  20  -1.862  -7.208   3.377
  158   1HB   SER  20          2HB       SER  20  -1.862  -4.362   4.452
  159   2HB   SER  20          3HB       SER  20  -1.635  -5.815   5.438
  160    HG   SER  20           HG       SER  20   0.005  -5.183   3.187
  161    H    ALA  21           H        ALA  21  -4.464  -5.115   2.436
  162    HA   ALA  21           HA       ALA  21  -6.388  -6.800   3.847
  163   1HB   ALA  21          1HB       ALA  21  -5.995  -5.022   5.510
  164   2HB   ALA  21          2HB       ALA  21  -6.233  -3.775   4.263
  165   3HB   ALA  21          3HB       ALA  21  -7.589  -4.778   4.780
  166    HA   PRO  22           HA       PRO  22  -8.485  -6.001   0.030
  167   1HB   PRO  22          2HB       PRO  22 -11.162  -6.032   0.637
  168   2HB   PRO  22          3HB       PRO  22 -10.122  -7.484   0.677
  169   1HG   PRO  22          2HG       PRO  22 -10.874  -5.685   3.010
  170   2HG   PRO  22          3HG       PRO  22 -10.999  -7.474   2.910
  171   1HD   PRO  22          2HD       PRO  22  -8.880  -6.313   4.083
  172   2HD   PRO  22          3HD       PRO  22  -8.636  -7.725   3.022
  173    H    VAL  23           H        VAL  23  -8.790  -3.646   2.591
  174    HA   VAL  23           HA       VAL  23  -9.140  -1.553   0.578
  175    HB   VAL  23           HB       VAL  23 -10.751  -1.648   3.155
  176   1HG1  VAL  23          1HG1      VAL  23 -10.159   0.645   2.701
  177   2HG1  VAL  23          2HG1      VAL  23 -10.574   0.479   0.989
  178   3HG1  VAL  23          3HG1      VAL  23 -11.844   0.430   2.222
  179   1HG2  VAL  23          1HG2      VAL  23 -11.755  -1.895   0.317
  180   2HG2  VAL  23          2HG2      VAL  23 -11.788  -3.132   1.585
  181   3HG2  VAL  23          3HG2      VAL  23 -12.769  -1.682   1.767
  182    H    VAL  24           H        VAL  24  -7.771   0.177   1.123
  183    HA   VAL  24           HA       VAL  24  -6.440   0.113   3.767
  184    HB   VAL  24           HB       VAL  24  -4.910   0.207   1.135
  185   1HG1  VAL  24          1HG1      VAL  24  -3.791   1.427   2.963
  186   2HG1  VAL  24          2HG1      VAL  24  -3.958   0.012   4.032
  187   3HG1  VAL  24          3HG1      VAL  24  -2.920  -0.058   2.594
  188   1HG2  VAL  24          1HG2      VAL  24  -5.748  -2.083   1.427
  189   2HG2  VAL  24          2HG2      VAL  24  -4.035  -2.037   1.772
  190   3HG2  VAL  24          3HG2      VAL  24  -5.181  -2.093   3.115
  191    H    VAL  25           H        VAL  25  -6.121   2.124   4.533
  192    HA   VAL  25           HA       VAL  25  -6.642   4.477   2.777
  193    HB   VAL  25           HB       VAL  25  -7.391   4.022   5.701
  194   1HG1  VAL  25          1HG1      VAL  25  -6.987   6.394   5.172
  195   2HG1  VAL  25          2HG1      VAL  25  -8.104   6.290   3.797
  196   3HG1  VAL  25          3HG1      VAL  25  -8.710   6.094   5.456
  197   1HG2  VAL  25          1HG2      VAL  25  -8.814   2.604   4.309
  198   2HG2  VAL  25          2HG2      VAL  25  -9.736   3.963   4.936
  199   3HG2  VAL  25          3HG2      VAL  25  -9.186   3.979   3.245
  200    H    PHE  26           H        PHE  26  -4.598   5.268   2.429
  201    HA   PHE  26           HA       PHE  26  -2.595   5.375   4.618
  202   1HB   PHE  26          2HB       PHE  26  -2.582   6.481   1.781
  203   2HB   PHE  26          3HB       PHE  26  -1.241   6.557   2.913
  204    HD1  PHE  26           1HD      PHE  26  -3.130   4.407   0.583
  205    HD2  PHE  26           2HD      PHE  26   0.025   4.502   3.524
  206    HE1  PHE  26           1HE      PHE  26  -2.315   2.198  -0.208
  207    HE2  PHE  26           2HE      PHE  26   0.846   2.310   2.710
  208    HZ   PHE  26           HZ       PHE  26  -0.328   1.153   0.848
  209    H    SER  27           H        SER  27  -2.479   7.197   5.933
  210    HA   SER  27           HA       SER  27  -3.853   9.709   5.234
  211   1HB   SER  27          2HB       SER  27  -5.278   9.426   7.309
  212   2HB   SER  27          3HB       SER  27  -5.677   8.332   5.980
  213    HG   SER  27           HG       SER  27  -5.552   7.272   8.011
  214    H    LYS  28           H        LYS  28  -3.904  10.798   7.843
  215    HA   LYS  28           HA       LYS  28  -1.302  10.205   9.096
  216   1HB   LYS  28          2HB       LYS  28  -2.297  13.008   8.403
  217   2HB   LYS  28          3HB       LYS  28  -1.012  12.663   9.562
  218   1HG   LYS  28          2HG       LYS  28   0.260  11.456   7.778
  219   2HG   LYS  28          3HG       LYS  28  -0.979  11.936   6.607
  220   1HD   LYS  28          2HD       LYS  28  -0.480  14.318   7.039
  221   2HD   LYS  28          3HD       LYS  28   0.769  13.842   8.219
  222   1HE   LYS  28          2HE       LYS  28   1.924  12.537   6.415
  223   2HE   LYS  28          3HE       LYS  28   0.702  13.077   5.261
  224   1HZ   LYS  28          1HZ       LYS  28   2.643  14.397   5.075
  225   2HZ   LYS  28          2HZ       LYS  28   1.462  15.367   5.669
  226   3HZ   LYS  28          3HZ       LYS  28   2.644  14.818   6.663
  227    H    THR  29           H        THR  29  -1.490  11.679  11.329
  228    HA   THR  29           HA       THR  29  -3.330  10.045  12.765
  229    HB   THR  29           HB       THR  29  -2.202  11.483  14.672
  230    HG1  THR  29           1HG      THR  29  -0.329  12.525  13.942
  231   1HG2  THR  29          1HG2      THR  29  -0.113  10.178  14.442
  232   2HG2  THR  29          2HG2      THR  29  -1.550   9.191  14.135
  233   3HG2  THR  29          3HG2      THR  29  -0.558   9.745  12.773
  234    H    TYR  30           H        TYR  30  -4.095  12.928  11.198
  235    HA   TYR  30           HA       TYR  30  -6.020  13.691  13.339
  236   1HB   TYR  30          2HB       TYR  30  -5.353  16.047  12.934
  237   2HB   TYR  30          3HB       TYR  30  -4.051  15.062  13.570
  238    HD1  TYR  30           1HD      TYR  30  -2.019  14.658  12.296
  239    HD2  TYR  30           2HD      TYR  30  -5.356  16.713  10.483
  240    HE1  TYR  30           1HE      TYR  30  -0.594  15.267  10.365
  241    HE2  TYR  30           2HE      TYR  30  -3.956  17.288   8.535
  242    HH   TYR  30           HH       TYR  30  -1.831  17.175   7.577
  243    H    CYS  31           H        CYS  31  -5.685  13.075   9.897
  244    HA   CYS  31           HA       CYS  31  -7.153  15.129   8.862
  245   1HB   CYS  31          2HB       CYS  31  -7.479  12.468   7.583
  246   2HB   CYS  31          3HB       CYS  31  -6.988  14.010   6.890
  247    H    GLY  32           H        GLY  32  -9.173  15.806   9.315
  248   1HA   GLY  32          1HA       GLY  32 -11.346  14.254  10.297
  249   2HA   GLY  32          2HA       GLY  32 -11.471  15.788   9.405
  250    H    TYR  33           H        TYR  33 -10.190  14.948   6.975
  251    HA   TYR  33           HA       TYR  33 -12.256  13.603   5.570
  252   1HB   TYR  33          2HB       TYR  33  -9.328  14.052   4.873
  253   2HB   TYR  33          3HB       TYR  33 -10.559  13.487   3.756
  254    HD1  TYR  33           1HD      TYR  33  -8.993  16.404   5.187
  255    HD2  TYR  33           2HD      TYR  33 -12.627  14.987   3.337
  256    HE1  TYR  33           1HE      TYR  33  -9.642  18.737   4.682
  257    HE2  TYR  33           2HE      TYR  33 -13.284  17.316   2.825
  258    HH   TYR  33           HH       TYR  33 -12.701  19.569   2.980
  259    H    CYS  34           H        CYS  34  -9.341  12.300   7.220
  260    HA   CYS  34           HA       CYS  34  -9.656   9.638   6.072
  261   1HB   CYS  34          2HB       CYS  34  -7.481  10.365   7.043
  262   2HB   CYS  34          3HB       CYS  34  -8.243  10.449   8.649
  263    HG   CYS  34           HG       CYS  34  -8.092   7.843   6.591
  264    H    ASN  35           H        ASN  35 -10.723  11.298   9.127
  265    HA   ASN  35           HA       ASN  35 -12.193   9.063  10.085
  266   1HB   ASN  35          2HB       ASN  35 -11.885  11.002  11.513
  267   2HB   ASN  35          3HB       ASN  35 -12.847  12.007  10.426
  268   1HD2  ASN  35          2HD2      ASN  35 -14.925  12.320  11.209
  269   2HD2  ASN  35          1HD2      ASN  35 -15.842  11.129  12.087
  270    H    ARG  36           H        ARG  36 -13.250  11.581   7.696
  271    HA   ARG  36           HA       ARG  36 -15.867  10.537   7.346
  272   1HB   ARG  36          2HB       ARG  36 -14.060  11.885   5.294
  273   2HB   ARG  36          3HB       ARG  36 -15.758  11.497   5.030
  274   1HG   ARG  36          2HG       ARG  36 -16.432  12.951   6.901
  275   2HG   ARG  36          3HG       ARG  36 -14.736  13.343   7.226
  276   1HD   ARG  36          2HD       ARG  36 -14.548  14.250   4.886
  277   2HD   ARG  36          3HD       ARG  36 -16.291  13.969   4.686
  278    HE   ARG  36           HE       ARG  36 -15.765  15.518   7.046
  279   1HH1  ARG  36          1HH1      ARG  36 -15.915  15.834   3.510
  280   2HH1  ARG  36          2HH1      ARG  36 -16.231  17.529   3.534
  281   1HH2  ARG  36          1HH2      ARG  36 -16.181  17.779   7.076
  282   2HH2  ARG  36          2HH2      ARG  36 -16.380  18.656   5.609
  283    H    VAL  37           H        VAL  37 -12.826   9.553   5.599
  284    HA   VAL  37           HA       VAL  37 -14.119   7.531   4.058
  285    HB   VAL  37           HB       VAL  37 -11.240   7.768   5.033
  286   1HG1  VAL  37          1HG1      VAL  37 -10.660   6.159   3.247
  287   2HG1  VAL  37          2HG1      VAL  37 -11.657   5.408   4.484
  288   3HG1  VAL  37          3HG1      VAL  37 -12.387   5.872   2.933
  289   1HG2  VAL  37          1HG2      VAL  37 -10.855   8.474   2.669
  290   2HG2  VAL  37          2HG2      VAL  37 -12.604   8.372   2.377
  291   3HG2  VAL  37          3HG2      VAL  37 -11.963   9.569   3.508
  292    H    LYS  38           H        LYS  38 -12.486   7.262   7.265
  293    HA   LYS  38           HA       LYS  38 -12.945   4.532   7.726
  294   1HB   LYS  38          2HB       LYS  38 -13.009   6.840   9.716
  295   2HB   LYS  38          3HB       LYS  38 -12.993   5.148  10.167
  296   1HG   LYS  38          2HG       LYS  38 -10.757   4.847   9.148
  297   2HG   LYS  38          3HG       LYS  38 -10.737   6.533   8.626
  298   1HD   LYS  38          2HD       LYS  38 -11.016   7.244  11.025
  299   2HD   LYS  38          3HD       LYS  38 -10.935   5.542  11.511
  300   1HE   LYS  38          2HE       LYS  38  -8.648   5.385  10.554
  301   2HE   LYS  38          3HE       LYS  38  -8.742   7.075  10.047
  302   1HZ   LYS  38          1HZ       LYS  38  -7.542   6.889  12.118
  303   2HZ   LYS  38          2HZ       LYS  38  -8.936   7.690  12.396
  304   3HZ   LYS  38          3HZ       LYS  38  -8.792   6.125  12.851
  305    H    GLN  39           H        GLN  39 -15.207   7.274   8.535
  306    HA   GLN  39           HA       GLN  39 -17.220   5.478   9.517
  307   1HB   GLN  39          2HB       GLN  39 -17.554   8.309   8.439
  308   2HB   GLN  39          3HB       GLN  39 -18.756   7.396   9.346
  309   1HG   GLN  39          2HG       GLN  39 -16.184   8.606  10.351
  310   2HG   GLN  39          3HG       GLN  39 -17.812   8.930  10.876
  311   1HE2  GLN  39          2HE2      GLN  39 -15.190   7.923  12.222
  312   2HE2  GLN  39          1HE2      GLN  39 -15.728   6.547  13.168
  313    H    LEU  40           H        LEU  40 -16.626   6.849   6.243
  314    HA   LEU  40           HA       LEU  40 -19.055   6.050   5.044
  315   1HB   LEU  40          2HB       LEU  40 -17.196   7.534   4.095
  316   2HB   LEU  40          3HB       LEU  40 -16.295   6.065   3.756
  317    HG   LEU  40           HG       LEU  40 -18.286   5.335   2.279
  318   1HD1  LEU  40          1HD1      LEU  40 -19.056   8.249   2.779
  319   2HD1  LEU  40          2HD1      LEU  40 -19.677   7.262   1.449
  320   3HD1  LEU  40          3HD1      LEU  40 -20.041   6.808   3.119
  321   1HD2  LEU  40          1HD2      LEU  40 -17.561   6.742   0.425
  322   2HD2  LEU  40          2HD2      LEU  40 -16.752   7.852   1.558
  323   3HD2  LEU  40          3HD2      LEU  40 -16.182   6.178   1.375
  324    H    LEU  41           H        LEU  41 -15.938   4.317   5.353
  325    HA   LEU  41           HA       LEU  41 -16.813   1.898   4.076
  326   1HB   LEU  41          2HB       LEU  41 -14.520   2.525   5.974
  327   2HB   LEU  41          3HB       LEU  41 -14.725   0.975   5.158
  328    HG   LEU  41           HG       LEU  41 -14.428   3.616   3.660
  329   1HD1  LEU  41          1HD1      LEU  41 -12.101   2.940   3.263
  330   2HD1  LEU  41          2HD1      LEU  41 -12.419   3.137   4.995
  331   3HD1  LEU  41          3HD1      LEU  41 -12.329   1.512   4.300
  332   1HD2  LEU  41          1HD2      LEU  41 -14.272   0.712   2.740
  333   2HD2  LEU  41          2HD2      LEU  41 -15.525   1.895   2.309
  334   3HD2  LEU  41          3HD2      LEU  41 -13.871   2.129   1.744
  335    H    THR  42           H        THR  42 -16.651   2.916   7.524
  336    HA   THR  42           HA       THR  42 -17.415   0.436   8.652
  337    HB   THR  42           HB       THR  42 -17.997   3.276   9.611
  338    HG1  THR  42           1HG      THR  42 -15.821   2.955   9.390
  339   1HG2  THR  42          1HG2      THR  42 -18.026   2.266  11.889
  340   2HG2  THR  42          2HG2      THR  42 -19.368   1.698  10.888
  341   3HG2  THR  42          3HG2      THR  42 -17.961   0.644  11.157
  342    H    GLN  43           H        GLN  43 -19.441   3.138   7.387
  343    HA   GLN  43           HA       GLN  43 -21.910   2.088   8.325
  344   1HB   GLN  43          2HB       GLN  43 -21.177   4.012   6.097
  345   2HB   GLN  43          3HB       GLN  43 -22.854   3.550   6.388
  346   1HG   GLN  43          2HG       GLN  43 -22.859   4.435   8.611
  347   2HG   GLN  43          3HG       GLN  43 -21.109   4.632   8.634
  348   1HE2  GLN  43          2HE2      GLN  43 -20.146   6.217   7.169
  349   2HE2  GLN  43          1HE2      GLN  43 -21.055   7.658   6.715
  350    H    VAL  44           H        VAL  44 -20.182   1.501   5.218
  351    HA   VAL  44           HA       VAL  44 -22.386  -0.142   4.258
  352    HB   VAL  44           HB       VAL  44 -20.935  -0.598   2.326
  353   1HG1  VAL  44          1HG1      VAL  44 -20.901   1.688   1.448
  354   2HG1  VAL  44          2HG1      VAL  44 -22.388   1.395   2.370
  355   3HG1  VAL  44          3HG1      VAL  44 -21.070   2.359   3.076
  356   1HG2  VAL  44          1HG2      VAL  44 -18.889   1.192   3.685
  357   2HG2  VAL  44          2HG2      VAL  44 -18.707  -0.551   3.389
  358   3HG2  VAL  44          3HG2      VAL  44 -18.809   0.586   2.032
  359    H    GLY  45           H        GLY  45 -20.011  -0.740   6.585
  360   1HA   GLY  45          1HA       GLY  45 -19.508  -2.668   7.700
  361   2HA   GLY  45          2HA       GLY  45 -20.563  -3.585   6.610
  362    H    ALA  46           H        ALA  46 -17.830  -1.513   5.546
  363    HA   ALA  46           HA       ALA  46 -16.574  -3.847   4.242
  364   1HB   ALA  46          1HB       ALA  46 -16.746  -1.821   2.907
  365   2HB   ALA  46          2HB       ALA  46 -15.942  -0.870   4.182
  366   3HB   ALA  46          3HB       ALA  46 -15.043  -2.124   3.307
  367    H    SER  47           H        SER  47 -14.812  -4.842   5.064
  368    HA   SER  47           HA       SER  47 -13.525  -3.932   7.545
  369   1HB   SER  47          2HB       SER  47 -12.803  -6.150   5.567
  370   2HB   SER  47          3HB       SER  47 -12.121  -5.926   7.190
  371    HG   SER  47           HG       SER  47 -13.802  -7.486   7.156
  372    H    TYR  48           H        TYR  48 -11.439  -2.891   7.579
  373    HA   TYR  48           HA       TYR  48 -10.016  -2.437   5.067
  374   1HB   TYR  48          2HB       TYR  48 -10.115   0.004   5.225
  375   2HB   TYR  48          3HB       TYR  48 -11.702  -0.687   4.967
  376    HD1  TYR  48           1HD      TYR  48  -9.531   1.005   7.465
  377    HD2  TYR  48           2HD      TYR  48 -13.492  -0.393   6.534
  378    HE1  TYR  48           1HE      TYR  48 -10.431   2.270   9.399
  379    HE2  TYR  48           2HE      TYR  48 -14.422   0.924   8.415
  380    HH   TYR  48           HH       TYR  48 -12.301   2.798  10.651
  381    H    LYS  49           H        LYS  49  -8.021  -1.168   5.447
  382    HA   LYS  49           HA       LYS  49  -6.931  -1.292   8.230
  383   1HB   LYS  49          2HB       LYS  49  -5.940  -3.020   6.789
  384   2HB   LYS  49          3HB       LYS  49  -5.607  -1.825   5.525
  385   1HG   LYS  49          2HG       LYS  49  -3.950  -0.721   6.981
  386   2HG   LYS  49          3HG       LYS  49  -4.326  -1.869   8.287
  387   1HD   LYS  49          2HD       LYS  49  -3.536  -3.740   6.832
  388   2HD   LYS  49          3HD       LYS  49  -3.240  -2.589   5.524
  389   1HE   LYS  49          2HE       LYS  49  -1.126  -3.077   6.550
  390   2HE   LYS  49          3HE       LYS  49  -1.556  -1.409   6.932
  391   1HZ   LYS  49          1HZ       LYS  49  -2.235  -2.163   9.146
  392   2HZ   LYS  49          2HZ       LYS  49  -1.882  -3.718   8.776
  393   3HZ   LYS  49          3HZ       LYS  49  -0.697  -2.608   8.862
  394    H    VAL  50           H        VAL  50  -5.437   0.446   8.696
  395    HA   VAL  50           HA       VAL  50  -5.627   2.794   6.908
  396    HB   VAL  50           HB       VAL  50  -5.960   2.869   9.928
  397   1HG1  VAL  50          1HG1      VAL  50  -6.627   5.227   9.551
  398   2HG1  VAL  50          2HG1      VAL  50  -5.012   4.950   8.916
  399   3HG1  VAL  50          3HG1      VAL  50  -6.388   5.029   7.801
  400   1HG2  VAL  50          1HG2      VAL  50  -8.115   3.100   7.789
  401   2HG2  VAL  50          2HG2      VAL  50  -7.989   1.876   9.080
  402   3HG2  VAL  50          3HG2      VAL  50  -8.326   3.549   9.495
  403    H    VAL  51           H        VAL  51  -3.736   4.076   6.988
  404    HA   VAL  51           HA       VAL  51  -1.500   3.150   8.698
  405    HB   VAL  51           HB       VAL  51  -1.063   3.859   5.776
  406   1HG1  VAL  51          1HG1      VAL  51   1.118   2.932   6.165
  407   2HG1  VAL  51          2HG1      VAL  51   0.786   3.980   7.548
  408   3HG1  VAL  51          3HG1      VAL  51   0.628   2.226   7.723
  409   1HG2  VAL  51          1HG2      VAL  51  -0.748   1.461   5.286
  410   2HG2  VAL  51          2HG2      VAL  51  -1.420   1.047   6.882
  411   3HG2  VAL  51          3HG2      VAL  51  -2.427   1.845   5.649
  412    H    GLU  52           H        GLU  52  -1.891   4.905  10.036
  413    HA   GLU  52           HA       GLU  52  -2.157   7.614   8.990
  414   1HB   GLU  52          2HB       GLU  52  -1.848   6.553  11.827
  415   2HB   GLU  52          3HB       GLU  52  -2.125   8.249  11.382
  416   1HG   GLU  52          2HG       GLU  52  -4.256   7.563  10.237
  417   2HG   GLU  52          3HG       GLU  52  -4.000   5.911  10.788
  418    H    LEU  53           H        LEU  53  -0.339   7.831   7.747
  419    HA   LEU  53           HA       LEU  53   2.202   6.879   8.155
  420   1HB   LEU  53          2HB       LEU  53   1.341   9.395   6.667
  421   2HB   LEU  53          3HB       LEU  53   2.907   8.622   6.486
  422    HG   LEU  53           HG       LEU  53   0.237   7.333   5.764
  423   1HD1  LEU  53          1HD1      LEU  53   0.973   7.613   3.440
  424   2HD1  LEU  53          2HD1      LEU  53   0.832   9.175   4.255
  425   3HD1  LEU  53          3HD1      LEU  53   2.441   8.451   3.995
  426   1HD2  LEU  53          1HD2      LEU  53   3.102   6.366   5.434
  427   2HD2  LEU  53          2HD2      LEU  53   1.829   5.612   6.403
  428   3HD2  LEU  53          3HD2      LEU  53   1.693   5.621   4.648
  429    H    ASP  54           H        ASP  54   0.929   9.857   9.608
  430    HA   ASP  54           HA       ASP  54   3.407  11.148  10.027
  431   1HB   ASP  54          2HB       ASP  54   1.238  12.258  10.307
  432   2HB   ASP  54          3HB       ASP  54   0.881  11.245  11.707
  433    H    GLU  55           H        GLU  55   2.081   8.343  11.700
  434    HA   GLU  55           HA       GLU  55   4.300   8.531  13.693
  435   1HB   GLU  55          2HB       GLU  55   3.025   7.100  15.150
  436   2HB   GLU  55          3HB       GLU  55   2.140   8.573  14.774
  437   1HG   GLU  55          2HG       GLU  55   0.617   7.413  13.324
  438   2HG   GLU  55          3HG       GLU  55   1.628   5.965  13.292
  439    H    LEU  56           H        LEU  56   3.874   7.248  10.751
  440    HA   LEU  56           HA       LEU  56   4.880   4.529  11.296
  441   1HB   LEU  56          2HB       LEU  56   3.375   4.962   9.354
  442   2HB   LEU  56          3HB       LEU  56   4.567   6.087   8.696
  443    HG   LEU  56           HG       LEU  56   6.205   4.226   8.465
  444   1HD1  LEU  56          1HD1      LEU  56   5.428   2.659  10.212
  445   2HD1  LEU  56          2HD1      LEU  56   3.885   2.451   9.357
  446   3HD1  LEU  56          3HD1      LEU  56   5.402   1.876   8.635
  447   1HD2  LEU  56          1HD2      LEU  56   3.518   3.709   7.137
  448   2HD2  LEU  56          2HD2      LEU  56   4.750   4.879   6.609
  449   3HD2  LEU  56          3HD2      LEU  56   5.105   3.145   6.567
  450    H    SER  57           H        SER  57   7.055   3.959  11.085
  451    HA   SER  57           HA       SER  57   8.944   5.725  11.908
  452   1HB   SER  57          2HB       SER  57   9.532   3.196  10.338
  453   2HB   SER  57          3HB       SER  57  10.464   3.896  11.676
  454    HG   SER  57           HG       SER  57   9.165   2.139  12.360
  455    H    ASP  58           H        ASP  58   8.017   5.290   8.537
  456    HA   ASP  58           HA       ASP  58  10.168   7.169   7.710
  457   1HB   ASP  58          2HB       ASP  58  10.829   4.773   7.273
  458   2HB   ASP  58          3HB       ASP  58   9.417   4.620   6.226
  459    H    GLY  59           H        GLY  59   7.350   7.478   8.380
  460   1HA   GLY  59          1HA       GLY  59   5.442   7.218   6.455
  461   2HA   GLY  59          2HA       GLY  59   5.481   8.495   7.675
  462    H    SER  60           H        SER  60   7.702  10.053   6.685
  463    HA   SER  60           HA       SER  60   6.344  11.641   4.756
  464   1HB   SER  60          2HB       SER  60   8.714  12.705   4.626
  465   2HB   SER  60          3HB       SER  60   7.816  12.774   6.151
  466    HG   SER  60           HG       SER  60   9.987  12.117   6.465
  467    H    GLN  61           H        GLN  61   9.013   9.254   4.403
  468    HA   GLN  61           HA       GLN  61   9.210   9.757   1.530
  469   1HB   GLN  61          2HB       GLN  61  10.374   7.487   3.176
  470   2HB   GLN  61          3HB       GLN  61  10.756   7.872   1.492
  471   1HG   GLN  61          2HG       GLN  61  11.439  10.211   2.329
  472   2HG   GLN  61          3HG       GLN  61  11.368   9.545   3.962
  473   1HE2  GLN  61          2HE2      GLN  61  12.790   7.538   4.362
  474   2HE2  GLN  61          1HE2      GLN  61  14.380   7.559   3.557
  475    H    LEU  62           H        LEU  62   7.476   7.494   3.658
  476    HA   LEU  62           HA       LEU  62   6.404   5.803   1.632
  477   1HB   LEU  62          2HB       LEU  62   6.321   5.801   4.322
  478   2HB   LEU  62          3HB       LEU  62   4.797   6.609   4.039
  479    HG   LEU  62           HG       LEU  62   4.439   4.271   4.396
  480   1HD1  LEU  62          1HD1      LEU  62   3.003   5.333   2.657
  481   2HD1  LEU  62          2HD1      LEU  62   4.095   4.683   1.413
  482   3HD1  LEU  62          3HD1      LEU  62   3.185   3.582   2.461
  483   1HD2  LEU  62          1HD2      LEU  62   6.673   3.437   3.801
  484   2HD2  LEU  62          2HD2      LEU  62   5.380   2.485   3.054
  485   3HD2  LEU  62          3HD2      LEU  62   6.294   3.648   2.080
  486    H    GLN  63           H        GLN  63   5.124   8.894   3.024
  487    HA   GLN  63           HA       GLN  63   2.892   9.099   1.303
  488   1HB   GLN  63          2HB       GLN  63   3.415  10.517   3.386
  489   2HB   GLN  63          3HB       GLN  63   4.532  11.438   2.373
  490   1HG   GLN  63          2HG       GLN  63   2.535  11.810   0.775
  491   2HG   GLN  63          3HG       GLN  63   1.512  11.129   2.034
  492   1HE2  GLN  63          2HE2      GLN  63   1.032  13.645   1.048
  493   2HE2  GLN  63          1HE2      GLN  63   1.462  14.871   2.228
  494    H    SER  64           H        SER  64   6.288  10.209   0.891
  495    HA   SER  64           HA       SER  64   5.906  11.530  -1.594
  496   1HB   SER  64          2HB       SER  64   8.402  10.099  -0.590
  497   2HB   SER  64          3HB       SER  64   8.325  11.340  -1.847
  498    HG   SER  64           HG       SER  64   7.668  11.652   0.922
  499    H    ALA  65           H        ALA  65   6.620   8.067  -0.863
  500    HA   ALA  65           HA       ALA  65   6.828   7.246  -3.587
  501   1HB   ALA  65          1HB       ALA  65   5.938   5.640  -1.154
  502   2HB   ALA  65          2HB       ALA  65   6.448   5.000  -2.727
  503   3HB   ALA  65          3HB       ALA  65   7.618   5.859  -1.714
  504    H    LEU  66           H        LEU  66   3.991   7.390  -1.334
  505    HA   LEU  66           HA       LEU  66   2.076   6.434  -3.204
  506   1HB   LEU  66          2HB       LEU  66   1.927   8.160  -0.738
  507   2HB   LEU  66          3HB       LEU  66   0.585   8.272  -1.852
  508    HG   LEU  66           HG       LEU  66   0.088   6.725  -0.087
  509   1HD1  LEU  66          1HD1      LEU  66  -0.705   4.837  -1.347
  510   2HD1  LEU  66          2HD1      LEU  66  -0.884   6.297  -2.334
  511   3HD1  LEU  66          3HD1      LEU  66   0.423   5.146  -2.672
  512   1HD2  LEU  66          1HD2      LEU  66   1.250   4.582   0.177
  513   2HD2  LEU  66          2HD2      LEU  66   2.437   5.058  -1.063
  514   3HD2  LEU  66          3HD2      LEU  66   2.320   5.960   0.460
  515    H    ALA  67           H        ALA  67   3.196   9.829  -2.639
  516    HA   ALA  67           HA       ALA  67   1.536  10.983  -4.574
  517   1HB   ALA  67          1HB       ALA  67   2.944  12.224  -2.879
  518   2HB   ALA  67          2HB       ALA  67   4.377  11.861  -3.853
  519   3HB   ALA  67          3HB       ALA  67   3.090  12.876  -4.527
  520    H    HIS  68           H        HIS  68   4.863   9.754  -4.993
  521    HA   HIS  68           HA       HIS  68   5.140  10.239  -7.761
  522   1HB   HIS  68          2HB       HIS  68   7.115   9.709  -6.691
  523   2HB   HIS  68          3HB       HIS  68   6.378   8.492  -5.664
  524    HD1  HIS  68           1HD      HIS  68   7.929   8.731  -9.178
  525    HD2  HIS  68           2HD      HIS  68   6.271   6.013  -6.420
  526    HE1  HIS  68           1HE      HIS  68   8.462   6.405 -10.065
  527    H    TRP  69           H        TRP  69   3.749   7.415  -6.046
  528    HA   TRP  69           HA       TRP  69   3.515   5.830  -8.429
  529   1HB   TRP  69          2HB       TRP  69   4.000   4.989  -6.189
  530   2HB   TRP  69          3HB       TRP  69   2.450   5.556  -5.594
  531    HD1  TRP  69           HD1      TRP  69   2.610   3.560  -8.872
  532    HE1  TRP  69           HE1      TRP  69   1.520   1.307  -8.539
  533    HE3  TRP  69           HE3      TRP  69   2.012   3.721  -3.787
  534    HZ2  TRP  69           HZ2      TRP  69   0.414  -0.251  -6.333
  535    HZ3  TRP  69           HZ3      TRP  69   0.938   1.822  -2.596
  536    HH2  TRP  69           HH2      TRP  69   0.130  -0.152  -3.860
  537    H    THR  70           H        THR  70   1.202   7.817  -6.556
  538    HA   THR  70           HA       THR  70  -1.014   6.773  -8.253
  539    HB   THR  70           HB       THR  70  -2.451   7.294  -6.407
  540    HG1  THR  70           1HG      THR  70  -0.160   8.256  -5.024
  541   1HG2  THR  70          1HG2      THR  70  -1.674   5.769  -4.713
  542   2HG2  THR  70          2HG2      THR  70  -1.110   5.138  -6.275
  543   3HG2  THR  70          3HG2      THR  70   0.018   5.969  -5.192
  544    H    GLY  71           H        GLY  71   0.765   9.733  -7.687
  545   1HA   GLY  71          1HA       GLY  71   0.417  11.869  -8.405
  546   2HA   GLY  71          2HA       GLY  71  -0.908  11.304  -9.438
  547    H    ARG  72           H        ARG  72  -1.130  10.428  -6.061
  548    HA   ARG  72           HA       ARG  72  -2.967  12.677  -5.433
  549   1HB   ARG  72          2HB       ARG  72  -4.179  10.598  -6.269
  550   2HB   ARG  72          3HB       ARG  72  -3.496   9.719  -4.922
  551   1HG   ARG  72          2HG       ARG  72  -5.649  10.274  -4.172
  552   2HG   ARG  72          3HG       ARG  72  -4.644  11.481  -3.390
  553   1HD   ARG  72          2HD       ARG  72  -6.479  12.699  -4.212
  554   2HD   ARG  72          3HD       ARG  72  -5.214  13.033  -5.384
  555    HE   ARG  72           HE       ARG  72  -6.213  11.456  -6.922
  556   1HH1  ARG  72          1HH2      ARG  72  -8.349  12.473  -4.259
  557   2HH1  ARG  72          2HH2      ARG  72  -9.762  11.751  -4.972
  558   1HH2  ARG  72          1HH1      ARG  72  -8.146  10.564  -7.847
  559   2HH2  ARG  72          2HH1      ARG  72  -9.640  10.678  -6.976
  560    H    GLY  73           H        GLY  73  -0.623  13.136  -4.632
  561   1HA   GLY  73          1HA       GLY  73   0.454  11.687  -2.418
  562   2HA   GLY  73          2HA       GLY  73   0.891  13.323  -2.946
  563    H    THR  74           H        THR  74  -2.263  13.806  -2.488
  564    HA   THR  74           HA       THR  74  -2.038  14.879   0.193
  565    HB   THR  74           HB       THR  74  -3.390  15.890  -1.590
  566    HG1  THR  74           1HG      THR  74  -4.962  16.523  -0.259
  567   1HG2  THR  74          1HG2      THR  74  -4.370  13.900  -2.672
  568   2HG2  THR  74          2HG2      THR  74  -5.301  13.542  -1.202
  569   3HG2  THR  74          3HG2      THR  74  -5.631  15.014  -2.138
  570    H    VAL  75           H        VAL  75  -4.109  14.292   1.563
  571    HA   VAL  75           HA       VAL  75  -4.280  11.373   1.909
  572    HB   VAL  75           HB       VAL  75  -4.060  11.709   4.420
  573   1HG1  VAL  75          1HG1      VAL  75  -1.642  11.365   4.369
  574   2HG1  VAL  75          2HG1      VAL  75  -2.410  10.507   3.027
  575   3HG1  VAL  75          3HG1      VAL  75  -1.550  12.032   2.725
  576   1HG2  VAL  75          1HG2      VAL  75  -2.647  13.488   5.257
  577   2HG2  VAL  75          2HG2      VAL  75  -2.492  14.207   3.641
  578   3HG2  VAL  75          3HG2      VAL  75  -4.063  14.200   4.476
  579    HA   PRO  76           HA       PRO  76  -5.402   9.992   3.286
  580   1HB   PRO  76          2HB       PRO  76  -7.649   8.473   3.009
  581   2HB   PRO  76          3HB       PRO  76  -7.266   9.350   4.524
  582   1HG   PRO  76          2HG       PRO  76  -9.083  10.232   2.264
  583   2HG   PRO  76          3HG       PRO  76  -9.439  10.209   4.017
  584   1HD   PRO  76          2HD       PRO  76  -8.577  12.477   2.725
  585   2HD   PRO  76          3HD       PRO  76  -8.068  12.110   4.402
  586    H    ASN  77           H        ASN  77  -5.189   8.199   1.819
  587    HA   ASN  77           HA       ASN  77  -6.004   8.592  -1.029
  588   1HB   ASN  77          2HB       ASN  77  -3.628   9.212  -0.716
  589   2HB   ASN  77          3HB       ASN  77  -3.306   7.677   0.075
  590   1HD2  ASN  77          2HD2      ASN  77  -2.568   9.154  -2.655
  591   2HD2  ASN  77          1HD2      ASN  77  -2.554   7.817  -3.755
  592    H    VAL  78           H        VAL  78  -7.060   6.712  -1.736
  593    HA   VAL  78           HA       VAL  78  -7.168   4.493   0.258
  594    HB   VAL  78           HB       VAL  78  -9.499   5.624  -1.327
  595   1HG1  VAL  78          1HG1      VAL  78  -9.879   3.284  -0.754
  596   2HG1  VAL  78          2HG1      VAL  78  -9.332   3.553   0.913
  597   3HG1  VAL  78          3HG1      VAL  78 -10.843   4.275   0.343
  598   1HG2  VAL  78          1HG2      VAL  78 -10.320   6.508   0.852
  599   2HG2  VAL  78          2HG2      VAL  78  -8.784   6.038   1.610
  600   3HG2  VAL  78          3HG2      VAL  78  -8.828   7.297   0.358
  601    H    PHE  79           H        PHE  79  -7.247   2.478  -0.413
  602    HA   PHE  79           HA       PHE  79  -7.222   1.814  -3.311
  603   1HB   PHE  79          2HB       PHE  79  -5.520   0.751  -1.012
  604   2HB   PHE  79          3HB       PHE  79  -5.808  -0.187  -2.458
  605    HD1  PHE  79           1HD      PHE  79  -4.163  -0.192  -4.074
  606    HD2  PHE  79           2HD      PHE  79  -4.560   3.279  -1.537
  607    HE1  PHE  79           1HE      PHE  79  -2.193   0.835  -5.163
  608    HE2  PHE  79           2HE      PHE  79  -2.575   4.277  -2.613
  609    HZ   PHE  79           HZ       PHE  79  -1.382   3.066  -4.426
  610    H    ILE  80           H        ILE  80  -8.367  -0.085  -3.796
  611    HA   ILE  80           HA       ILE  80  -9.635  -1.632  -1.634
  612    HB   ILE  80           HB       ILE  80 -11.187  -0.381  -3.943
  613   1HG1  ILE  80          2HG1      ILE  80 -11.564  -0.038  -0.940
  614   2HG1  ILE  80          3HG1      ILE  80 -10.824   1.157  -1.995
  615   1HG2  ILE  80          1HG2      ILE  80 -13.159  -1.602  -3.037
  616   2HG2  ILE  80          2HG2      ILE  80 -11.912  -2.685  -3.605
  617   3HG2  ILE  80          3HG2      ILE  80 -12.096  -2.416  -1.865
  618   1HD1  ILE  80          1HD1      ILE  80 -13.045   1.843  -1.558
  619   2HD1  ILE  80          2HD1      ILE  80 -12.973   1.341  -3.262
  620   3HD1  ILE  80          3HD1      ILE  80 -13.726   0.289  -2.046
  621    H    GLY  81           H        GLY  81  -9.622  -3.791  -2.216
  622   1HA   GLY  81          1HA       GLY  81  -9.092  -5.691  -3.367
  623   2HA   GLY  81          2HA       GLY  81  -9.638  -4.858  -4.833
  624    H    GLY  82           H        GLY  82  -6.916  -3.668  -2.867
  625   1HA   GLY  82          1HA       GLY  82  -4.682  -3.489  -3.285
  626   2HA   GLY  82          2HA       GLY  82  -4.802  -4.865  -4.390
  627    H    LYS  83           H        LYS  83  -6.895  -2.105  -5.078
  628    HA   LYS  83           HA       LYS  83  -5.006  -1.123  -7.173
  629   1HB   LYS  83          2HB       LYS  83  -6.927  -2.490  -8.082
  630   2HB   LYS  83          3HB       LYS  83  -8.045  -1.359  -7.304
  631   1HG   LYS  83          2HG       LYS  83  -6.892   0.490  -8.662
  632   2HG   LYS  83          3HG       LYS  83  -6.073  -0.781  -9.559
  633   1HD   LYS  83          2HD       LYS  83  -8.159  -1.607 -10.429
  634   2HD   LYS  83          3HD       LYS  83  -9.117  -0.630  -9.307
  635   1HE   LYS  83          2HE       LYS  83  -7.242   0.560 -11.397
  636   2HE   LYS  83          3HE       LYS  83  -8.953   0.250 -11.702
  637   1HZ   LYS  83          1HZ       LYS  83  -7.987   2.042  -9.527
  638   2HZ   LYS  83          2HZ       LYS  83  -8.498   2.544 -10.999
  639   3HZ   LYS  83          3HZ       LYS  83  -9.538   1.802  -9.993
  640    H    GLN  84           H        GLN  84  -4.807   1.089  -7.255
  641    HA   GLN  84           HA       GLN  84  -5.629   2.786  -5.119
  642   1HB   GLN  84          2HB       GLN  84  -3.736   2.916  -7.011
  643   2HB   GLN  84          3HB       GLN  84  -4.968   3.782  -7.913
  644   1HG   GLN  84          2HG       GLN  84  -3.783   4.515  -5.205
  645   2HG   GLN  84          3HG       GLN  84  -3.414   5.255  -6.757
  646   1HE2  GLN  84          2HE2      GLN  84  -4.845   6.039  -3.967
  647   2HE2  GLN  84          1HE2      GLN  84  -6.145   7.033  -4.535
  648    H    ILE  85           H        ILE  85  -7.512   4.039  -4.906
  649    HA   ILE  85           HA       ILE  85  -9.503   3.914  -7.147
  650    HB   ILE  85           HB       ILE  85  -9.991   4.173  -4.157
  651   1HG1  ILE  85          2HG1      ILE  85  -9.271   1.910  -4.639
  652   2HG1  ILE  85          3HG1      ILE  85 -10.969   1.961  -4.241
  653   1HG2  ILE  85          1HG2      ILE  85 -11.943   3.987  -6.489
  654   2HG2  ILE  85          2HG2      ILE  85 -12.394   3.825  -4.774
  655   3HG2  ILE  85          3HG2      ILE  85 -11.733   5.349  -5.375
  656   1HD1  ILE  85          1HD1      ILE  85  -9.863   1.659  -7.065
  657   2HD1  ILE  85          2HD1      ILE  85 -10.506   0.364  -6.055
  658   3HD1  ILE  85          3HD1      ILE  85 -11.584   1.654  -6.612
  659    H    GLY  86           H        GLY  86  -8.271   5.993  -4.437
  660   1HA   GLY  86          1HA       GLY  86  -7.787   8.283  -5.871
  661   2HA   GLY  86          2HA       GLY  86  -9.526   8.364  -5.553
  662    H    GLY  87           H        GLY  87  -9.926   9.591  -3.835
  663   1HA   GLY  87          1HA       GLY  87  -8.535   9.144  -1.273
  664   2HA   GLY  87          2HA       GLY  87  -8.548  10.789  -1.934
  665    H    CYS  88           H        CYS  88  -9.832  11.218   0.077
  666    HA   CYS  88           HA       CYS  88 -12.178   9.963   0.829
  667   1HB   CYS  88          2HB       CYS  88 -12.712  12.198   1.947
  668   2HB   CYS  88          3HB       CYS  88 -11.154  11.472   2.338
  669    HG   CYS  88           HG       CYS  88 -11.928  14.031   0.407
  670    H    ASP  89           H        ASP  89 -11.962  12.823  -1.342
  671    HA   ASP  89           HA       ASP  89 -14.787  13.076  -1.662
  672   1HB   ASP  89          2HB       ASP  89 -13.240  14.893  -2.215
  673   2HB   ASP  89          3HB       ASP  89 -12.494  13.916  -3.483
  674    H    THR  90           H        THR  90 -12.356  11.162  -3.463
  675    HA   THR  90           HA       THR  90 -14.073  10.409  -5.598
  676    HB   THR  90           HB       THR  90 -11.750   8.791  -4.486
  677    HG1  THR  90           1HG      THR  90 -11.752  11.186  -5.983
  678   1HG2  THR  90          1HG2      THR  90 -11.348   8.407  -6.955
  679   2HG2  THR  90          2HG2      THR  90 -12.827   7.675  -6.312
  680   3HG2  THR  90          3HG2      THR  90 -12.918   9.173  -7.268
  681    H    VAL  91           H        VAL  91 -13.302   8.749  -2.428
  682    HA   VAL  91           HA       VAL  91 -15.063   6.574  -3.156
  683    HB   VAL  91           HB       VAL  91 -14.852   5.818  -0.823
  684   1HG1  VAL  91          1HG1      VAL  91 -12.509   5.184  -1.028
  685   2HG1  VAL  91          2HG1      VAL  91 -13.253   5.170  -2.629
  686   3HG1  VAL  91          3HG1      VAL  91 -12.192   6.516  -2.159
  687   1HG2  VAL  91          1HG2      VAL  91 -13.274   6.813   0.710
  688   2HG2  VAL  91          2HG2      VAL  91 -12.920   8.134  -0.416
  689   3HG2  VAL  91          3HG2      VAL  91 -14.523   8.011   0.337
  690    H    VAL  92           H        VAL  92 -15.623   9.646  -1.333
  691    HA   VAL  92           HA       VAL  92 -18.272   8.889  -0.527
  692    HB   VAL  92           HB       VAL  92 -16.933  11.586  -0.984
  693   1HG1  VAL  92          1HG1      VAL  92 -18.816  12.589   0.303
  694   2HG1  VAL  92          2HG1      VAL  92 -19.344  11.963  -1.259
  695   3HG1  VAL  92          3HG1      VAL  92 -19.685  11.040   0.220
  696   1HG2  VAL  92          1HG2      VAL  92 -16.876  11.681   1.464
  697   2HG2  VAL  92          2HG2      VAL  92 -17.762  10.148   1.585
  698   3HG2  VAL  92          3HG2      VAL  92 -16.111  10.178   0.945
  699    H    GLU  93           H        GLU  93 -17.023  10.547  -3.514
  700    HA   GLU  93           HA       GLU  93 -19.555  10.946  -4.702
  701   1HB   GLU  93          2HB       GLU  93 -17.449  12.034  -5.429
  702   2HB   GLU  93          3HB       GLU  93 -16.811  10.481  -5.951
  703   1HG   GLU  93          2HG       GLU  93 -17.533  11.700  -7.877
  704   2HG   GLU  93          3HG       GLU  93 -18.574  10.303  -7.667
  705    H    LYS  94           H        LYS  94 -17.245   8.184  -5.067
  706    HA   LYS  94           HA       LYS  94 -18.962   6.668  -6.800
  707   1HB   LYS  94          2HB       LYS  94 -16.700   5.839  -4.940
  708   2HB   LYS  94          3HB       LYS  94 -17.512   4.734  -6.063
  709   1HG   LYS  94          2HG       LYS  94 -16.829   6.089  -7.990
  710   2HG   LYS  94          3HG       LYS  94 -16.123   7.302  -6.935
  711   1HD   LYS  94          2HD       LYS  94 -14.269   6.061  -7.671
  712   2HD   LYS  94          3HD       LYS  94 -14.566   5.508  -6.030
  713   1HE   LYS  94          2HE       LYS  94 -14.129   3.540  -7.240
  714   2HE   LYS  94          3HE       LYS  94 -15.886   3.544  -7.068
  715   1HZ   LYS  94          1HZ       LYS  94 -16.042   4.371  -9.367
  716   2HZ   LYS  94          2HZ       LYS  94 -14.405   4.434  -9.489
  717   3HZ   LYS  94          3HZ       LYS  94 -15.157   3.000  -9.330
  718    H    HIS  95           H        HIS  95 -18.890   6.920  -3.203
  719    HA   HIS  95           HA       HIS  95 -20.722   4.734  -2.841
  720   1HB   HIS  95          2HB       HIS  95 -19.360   5.606  -0.995
  721   2HB   HIS  95          3HB       HIS  95 -20.181   7.162  -1.086
  722    HD1  HIS  95           1HD      HIS  95 -21.425   3.471  -0.627
  723    HD2  HIS  95           2HD      HIS  95 -22.012   7.413   0.718
  724    HE1  HIS  95           1HE      HIS  95 -23.283   3.367   1.107
  725    H    GLN  96           H        GLN  96 -21.222   8.303  -3.253
  726    HA   GLN  96           HA       GLN  96 -24.061   8.177  -3.049
  727   1HB   GLN  96          2HB       GLN  96 -22.237  10.131  -4.518
  728   2HB   GLN  96          3HB       GLN  96 -23.976  10.351  -4.370
  729   1HG   GLN  96          2HG       GLN  96 -22.013  10.200  -2.046
  730   2HG   GLN  96          3HG       GLN  96 -22.727  11.666  -2.691
  731   1HE2  GLN  96          2HE2      GLN  96 -22.892  10.327   0.057
  732   2HE2  GLN  96          1HE2      GLN  96 -24.603  10.212   0.377
  733    H    ARG  97           H        ARG  97 -21.890   7.704  -5.864
  734    HA   ARG  97           HA       ARG  97 -24.043   7.315  -7.764
  735   1HB   ARG  97          2HB       ARG  97 -21.095   6.530  -7.809
  736   2HB   ARG  97          3HB       ARG  97 -22.188   6.334  -9.183
  737   1HG   ARG  97          2HG       ARG  97 -22.627   8.753  -9.250
  738   2HG   ARG  97          3HG       ARG  97 -21.557   9.005  -7.867
  739   1HD   ARG  97          2HD       ARG  97 -19.684   7.954  -9.223
  740   2HD   ARG  97          3HD       ARG  97 -20.788   7.957 -10.617
  741    HE   ARG  97           HE       ARG  97 -20.460  10.529  -9.217
  742   1HH1  ARG  97          1HH2      ARG  97 -19.218   8.573 -11.928
  743   2HH1  ARG  97          2HH2      ARG  97 -18.481   9.926 -12.704
  744   1HH2  ARG  97          1HH1      ARG  97 -19.533  12.192 -10.139
  745   2HH2  ARG  97          2HH1      ARG  97 -18.673  12.109 -11.664
  746    H    ASN  98           H        ASN  98 -23.281   5.373  -5.148
  747    HA   ASN  98           HA       ASN  98 -23.332   3.229  -4.602
  748   1HB   ASN  98          2HB       ASN  98 -25.749   3.575  -5.101
  749   2HB   ASN  98          3HB       ASN  98 -25.477   2.932  -6.724
  750   1HD2  ASN  98          2HD2      ASN  98 -26.649   0.969  -6.573
  751   2HD2  ASN  98          1HD2      ASN  98 -26.289  -0.273  -5.403
  752    H    GLU  99           H        GLU  99 -21.300   3.946  -6.320
  753    HA   GLU  99           HA       GLU  99 -20.857   1.621  -8.123
  754   1HB   GLU  99          2HB       GLU  99 -20.823   3.970  -9.028
  755   2HB   GLU  99          3HB       GLU  99 -19.434   4.307  -7.987
  756   1HG   GLU  99          2HG       GLU  99 -18.161   2.496  -9.148
  757   2HG   GLU  99          3HG       GLU  99 -19.565   2.178 -10.173
  758    H    LEU 100           H        LEU 100 -19.719   3.320  -5.235
  759    HA   LEU 100           HA       LEU 100 -17.203   1.986  -4.946
  760   1HB   LEU 100          2HB       LEU 100 -18.053   4.027  -3.635
  761   2HB   LEU 100          3HB       LEU 100 -19.057   2.913  -2.707
  762    HG   LEU 100           HG       LEU 100 -16.881   1.701  -2.062
  763   1HD1  LEU 100          1HD1      LEU 100 -15.368   2.514  -3.800
  764   2HD1  LEU 100          2HD1      LEU 100 -15.684   4.205  -3.342
  765   3HD1  LEU 100          3HD1      LEU 100 -14.812   3.131  -2.240
  766   1HD2  LEU 100          1HD2      LEU 100 -17.162   4.616  -1.233
  767   2HD2  LEU 100          2HD2      LEU 100 -18.051   3.245  -0.532
  768   3HD2  LEU 100          3HD2      LEU 100 -16.297   3.348  -0.341
  769    H    LEU 101           H        LEU 101 -20.542   1.095  -4.045
  770    HA   LEU 101           HA       LEU 101 -19.859  -1.073  -2.359
  771   1HB   LEU 101          2HB       LEU 101 -22.369  -0.241  -3.790
  772   2HB   LEU 101          3HB       LEU 101 -22.272  -1.889  -3.203
  773    HG   LEU 101           HG       LEU 101 -23.420  -0.460  -1.633
  774   1HD1  LEU 101          1HD1      LEU 101 -22.322  -1.115   0.396
  775   2HD1  LEU 101          2HD1      LEU 101 -22.077  -2.400  -0.793
  776   3HD1  LEU 101          3HD1      LEU 101 -20.752  -1.281  -0.405
  777   1HD2  LEU 101          1HD2      LEU 101 -20.823   1.081  -1.247
  778   2HD2  LEU 101          2HD2      LEU 101 -22.257   1.671  -2.137
  779   3HD2  LEU 101          3HD2      LEU 101 -22.376   1.321  -0.407
  780    HA   PRO 102           HA       PRO 102 -20.214  -4.024  -6.241
  781   1HB   PRO 102          2HB       PRO 102 -19.326  -1.906  -8.223
  782   2HB   PRO 102          3HB       PRO 102 -20.188  -3.445  -8.541
  783   1HG   PRO 102          2HG       PRO 102 -21.572  -1.122  -8.385
  784   2HG   PRO 102          3HG       PRO 102 -22.204  -2.599  -7.585
  785   1HD   PRO 102          2HD       PRO 102 -20.827  -0.234  -6.339
  786   2HD   PRO 102          3HD       PRO 102 -22.165  -1.240  -5.724
  787    H    LEU 103           H        LEU 103 -17.803  -1.327  -6.113
  788    HA   LEU 103           HA       LEU 103 -15.583  -2.975  -6.851
  789   1HB   LEU 103          2HB       LEU 103 -16.025  -0.242  -6.460
  790   2HB   LEU 103          3HB       LEU 103 -15.021  -0.637  -5.086
  791    HG   LEU 103           HG       LEU 103 -13.665   0.161  -6.892
  792   1HD1  LEU 103          1HD1      LEU 103 -12.659  -1.639  -5.553
  793   2HD1  LEU 103          2HD1      LEU 103 -13.224  -2.850  -6.722
  794   3HD1  LEU 103          3HD1      LEU 103 -12.039  -1.622  -7.206
  795   1HD2  LEU 103          1HD2      LEU 103 -15.199  -0.381  -8.762
  796   2HD2  LEU 103          2HD2      LEU 103 -13.523  -0.844  -9.090
  797   3HD2  LEU 103          3HD2      LEU 103 -14.712  -2.085  -8.664
  798    H    LEU 104           H        LEU 104 -16.907  -1.967  -3.680
  799    HA   LEU 104           HA       LEU 104 -14.965  -3.335  -2.069
  800   1HB   LEU 104          2HB       LEU 104 -17.828  -2.444  -1.551
  801   2HB   LEU 104          3HB       LEU 104 -16.820  -3.194  -0.323
  802    HG   LEU 104           HG       LEU 104 -15.961  -0.653  -1.760
  803   1HD1  LEU 104          1HD1      LEU 104 -16.783   0.547   0.262
  804   2HD1  LEU 104          2HD1      LEU 104 -18.095  -0.208  -0.658
  805   3HD1  LEU 104          3HD1      LEU 104 -17.516  -0.969   0.838
  806   1HD2  LEU 104          1HD2      LEU 104 -14.518  -0.371   0.231
  807   2HD2  LEU 104          2HD2      LEU 104 -15.116  -1.897   0.900
  808   3HD2  LEU 104          3HD2      LEU 104 -14.152  -1.890  -0.588
  809    H    GLN 105           H        GLN 105 -18.131  -4.335  -3.420
  810    HA   GLN 105           HA       GLN 105 -18.252  -6.866  -2.121
  811   1HB   GLN 105          2HB       GLN 105 -19.414  -5.953  -4.782
  812   2HB   GLN 105          3HB       GLN 105 -19.847  -7.447  -3.962
  813   1HG   GLN 105          2HG       GLN 105 -20.181  -4.898  -2.395
  814   2HG   GLN 105          3HG       GLN 105 -21.260  -5.149  -3.757
  815   1HE2  GLN 105          2HE2      GLN 105 -20.801  -5.788  -0.467
  816   2HE2  GLN 105          1HE2      GLN 105 -22.141  -6.912  -0.292
  817    H    ASP 106           H        ASP 106 -16.925  -5.868  -5.300
  818    HA   ASP 106           HA       ASP 106 -16.040  -8.444  -6.133
  819   1HB   ASP 106          2HB       ASP 106 -16.154  -6.583  -7.688
  820   2HB   ASP 106          3HB       ASP 106 -14.949  -5.679  -6.766
  821    H    ALA 107           H        ALA 107 -14.405  -5.913  -4.171
  822    HA   ALA 107           HA       ALA 107 -12.012  -7.464  -3.749
  823   1HB   ALA 107          1HB       ALA 107 -13.175  -5.126  -2.169
  824   2HB   ALA 107          2HB       ALA 107 -11.507  -5.728  -2.072
  825   3HB   ALA 107          3HB       ALA 107 -12.097  -5.006  -3.580
  826    H    ALA 108           H        ALA 108 -15.093  -8.180  -2.660
  827    HA   ALA 108           HA       ALA 108 -16.080  -9.153  -0.935
  828   1HB   ALA 108          1HB       ALA 108 -13.411 -10.547  -0.486
  829   2HB   ALA 108          2HB       ALA 108 -14.998 -11.091   0.083
  830   3HB   ALA 108          3HB       ALA 108 -14.656 -11.047  -1.653
  831    H    ALA 109           H        ALA 109 -14.811  -6.555  -0.432
  832    HA   ALA 109           HA       ALA 109 -13.591  -6.540   2.198
  833   1HB   ALA 109          1HB       ALA 109 -13.113  -4.804   0.493
  834   2HB   ALA 109          2HB       ALA 109 -14.817  -4.315   0.500
  835   3HB   ALA 109          3HB       ALA 109 -13.833  -4.089   1.957
  836    H    THR 110           H        THR 110 -16.878  -5.891   0.887
  837    HA   THR 110           HA       THR 110 -18.066  -5.059   3.364
  838    HB   THR 110           HB       THR 110 -20.165  -5.802   1.919
  839    HG1  THR 110           1HG      THR 110 -18.880  -6.881   0.340
  840   1HG2  THR 110          1HG2      THR 110 -19.678  -3.482   2.407
  841   2HG2  THR 110          2HG2      THR 110 -18.341  -3.460   1.252
  842   3HG2  THR 110          3HG2      THR 110 -20.014  -3.630   0.674
  843    H    ALA 111           H        ALA 111 -17.948  -6.396   5.073
  844    HA   ALA 111           HA       ALA 111 -17.558  -9.183   4.925
  845   1HB   ALA 111          1HB       ALA 111 -17.950  -9.112   7.359
  846   2HB   ALA 111          2HB       ALA 111 -16.934  -7.753   6.831
  847   3HB   ALA 111          3HB       ALA 111 -18.653  -7.485   7.209
  848    H    LYS 112           H        LYS 112 -20.536  -7.362   4.745
  849    HA   LYS 112           HA       LYS 112 -22.369  -9.450   5.412
  850   1HB   LYS 112          2HB       LYS 112 -24.040  -8.086   4.260
  851   2HB   LYS 112          3HB       LYS 112 -23.065  -7.149   5.390
  852   1HG   LYS 112          2HG       LYS 112 -21.747  -6.206   3.517
  853   2HG   LYS 112          3HG       LYS 112 -22.625  -7.223   2.366
  854   1HD   LYS 112          2HD       LYS 112 -23.532  -5.010   2.254
  855   2HD   LYS 112          3HD       LYS 112 -24.743  -6.070   2.994
  856   1HE   LYS 112          2HE       LYS 112 -24.070  -5.234   5.252
  857   2HE   LYS 112          3HE       LYS 112 -22.859  -4.189   4.499
  858   1HZ   LYS 112          1HZ       LYS 112 -24.668  -3.012   3.384
  859   2HZ   LYS 112          2HZ       LYS 112 -25.787  -3.987   4.074
  860   3HZ   LYS 112          3HZ       LYS 112 -24.894  -2.988   5.000
  861    H    ASN 113           H        ASN 113 -20.314  -9.128   2.590
  862    HA   ASN 113           HA       ASN 113 -21.623 -11.495   1.430
  863   1HB   ASN 113          2HB       ASN 113 -22.799  -9.690   0.271
  864   2HB   ASN 113          3HB       ASN 113 -21.246  -8.955  -0.168
  865   1HD2  ASN 113          2HD2      ASN 113 -22.024  -9.211  -2.474
  866   2HD2  ASN 113          1HD2      ASN 113 -21.699 -10.772  -3.229
  867    HA   PRO 114           HA       PRO 114 -17.019 -11.655   1.136
  868   1HB   PRO 114          2HB       PRO 114 -16.646 -14.177   2.109
  869   2HB   PRO 114          3HB       PRO 114 -16.857 -12.752   3.172
  870   1HG   PRO 114          2HG       PRO 114 -18.962 -14.763   2.315
  871   2HG   PRO 114          3HG       PRO 114 -18.609 -14.169   3.969
  872   1HD   PRO 114          2HD       PRO 114 -20.607 -13.123   2.422
  873   2HD   PRO 114          3HD       PRO 114 -19.664 -12.109   3.551
  874    H    ALA 115           H        ALA 115 -19.750 -13.380  -0.180
  875    HA   ALA 115           HA       ALA 115 -18.234 -15.204  -1.855
  876   1HB   ALA 115          1HB       ALA 115 -21.196 -14.489  -1.894
  877   2HB   ALA 115          2HB       ALA 115 -20.428 -15.886  -2.669
  878   3HB   ALA 115          3HB       ALA 115 -20.460 -15.772  -0.901
  879    H    GLN 116           H        GLN 116 -18.536 -11.936  -2.092
  880    HA   GLN 116           HA       GLN 116 -18.183 -10.410  -3.658
  881   1HB   GLN 116          2HB       GLN 116 -17.380 -12.673  -5.517
  882   2HB   GLN 116          3HB       GLN 116 -17.043 -10.966  -5.761
  883   1HG   GLN 116          2HG       GLN 116 -15.573 -10.866  -3.864
  884   2HG   GLN 116          3HG       GLN 116 -15.996 -12.500  -3.349
  885   1HE2  GLN 116          2HE2      GLN 116 -13.827 -10.657  -5.327
  886   2HE2  GLN 116          1HE2      GLN 116 -13.063 -12.021  -6.119
  887    H    LEU 117           H        LEU 117 -18.722  -9.981  -6.267
  888    HA   LEU 117           HA       LEU 117 -21.581 -10.576  -6.679
  889   1HB   LEU 117          2HB       LEU 117 -21.517  -8.547  -5.267
  890   2HB   LEU 117          3HB       LEU 117 -20.342  -7.808  -6.368
  891    HG   LEU 117           HG       LEU 117 -22.029  -7.754  -8.174
  892   1HD1  LEU 117          1HD1      LEU 117 -23.921  -8.874  -6.052
  893   2HD1  LEU 117          2HD1      LEU 117 -24.420  -8.202  -7.619
  894   3HD1  LEU 117          3HD1      LEU 117 -23.447  -9.671  -7.568
  895   1HD2  LEU 117          1HD2      LEU 117 -23.432  -5.992  -7.182
  896   2HD2  LEU 117          2HD2      LEU 117 -22.964  -6.517  -5.549
  897   3HD2  LEU 117          3HD2      LEU 117 -21.752  -5.837  -6.657
  Start of MODEL    4
    1   1H    MET   1           H1       MET   1   9.437  13.374   0.252
    2   2H    MET   1           H2       MET   1  10.344  14.430   1.108
    3   3H    MET   1           H3       MET   1   9.501  14.949  -0.208
    4    HA   MET   1           HA       MET   1  10.827  13.574  -1.656
    5   1HB   MET   1          2HB       MET   1  11.483  15.945  -1.222
    6   2HB   MET   1          3HB       MET   1  12.532  15.408   0.096
    7   1HG   MET   1          2HG       MET   1  13.902  14.127  -1.506
    8   2HG   MET   1          3HG       MET   1  12.806  14.574  -2.821
    9   1HE   MET   1          1HE       MET   1  15.971  14.886  -2.927
   10   2HE   MET   1          2HE       MET   1  14.882  15.334  -4.262
   11   3HE   MET   1          3HE       MET   1  16.114  16.483  -3.695
   12    H    ALA   2           H        ALA   2  12.419  11.945  -1.927
   13    HA   ALA   2           HA       ALA   2  13.952  10.982   0.372
   14   1HB   ALA   2          1HB       ALA   2  11.886   9.607   0.491
   15   2HB   ALA   2          2HB       ALA   2  12.059   9.183  -1.223
   16   3HB   ALA   2          3HB       ALA   2  13.265   8.627  -0.049
   17    H    SER   3           H        SER   3  15.845   9.858  -0.371
   18    HA   SER   3           HA       SER   3  16.841  10.386  -3.010
   19   1HB   SER   3          2HB       SER   3  17.726   8.266  -1.002
   20   2HB   SER   3          3HB       SER   3  18.697   8.977  -2.304
   21    HG   SER   3           HG       SER   3  19.145   9.924  -0.262
   22    H    LYS   4           H        LYS   4  17.218   8.737  -4.724
   23    HA   LYS   4           HA       LYS   4  14.854   7.484  -5.411
   24   1HB   LYS   4          2HB       LYS   4  16.692   8.145  -6.952
   25   2HB   LYS   4          3HB       LYS   4  17.632   6.739  -6.423
   26   1HG   LYS   4          2HG       LYS   4  15.870   5.226  -7.292
   27   2HG   LYS   4          3HG       LYS   4  14.881   6.628  -7.748
   28   1HD   LYS   4          2HD       LYS   4  16.653   7.361  -9.324
   29   2HD   LYS   4          3HD       LYS   4  17.647   5.963  -8.856
   30   1HE   LYS   4          2HE       LYS   4  15.852   4.431  -9.641
   31   2HE   LYS   4          3HE       LYS   4  14.864   5.820 -10.107
   32   1HZ   LYS   4          1HZ       LYS   4  17.496   5.132 -11.284
   33   2HZ   LYS   4          2HZ       LYS   4  16.049   4.905 -11.996
   34   3HZ   LYS   4          3HZ       LYS   4  16.581   6.418 -11.715
   35    H    GLN   5           H        GLN   5  17.683   5.844  -3.885
   36    HA   GLN   5           HA       GLN   5  16.550   3.229  -4.044
   37   1HB   GLN   5          2HB       GLN   5  18.960   3.771  -3.622
   38   2HB   GLN   5          3HB       GLN   5  18.534   4.319  -1.993
   39   1HG   GLN   5          2HG       GLN   5  17.667   2.024  -1.482
   40   2HG   GLN   5          3HG       GLN   5  18.127   1.501  -3.101
   41   1HE2  GLN   5          2HE2      GLN   5  19.184   1.725   0.134
   42   2HE2  GLN   5          1HE2      GLN   5  20.888   1.469  -0.136
   43    H    GLU   6           H        GLU   6  16.331   5.794  -1.530
   44    HA   GLU   6           HA       GLU   6  14.929   4.163   0.382
   45   1HB   GLU   6          2HB       GLU   6  15.364   7.143   0.049
   46   2HB   GLU   6          3HB       GLU   6  14.335   6.490   1.327
   47   1HG   GLU   6          2HG       GLU   6  17.168   5.498   0.903
   48   2HG   GLU   6          3HG       GLU   6  16.824   6.929   1.882
   49    H    LEU   7           H        LEU   7  13.952   6.419  -2.209
   50    HA   LEU   7           HA       LEU   7  11.166   6.454  -1.705
   51   1HB   LEU   7          2HB       LEU   7  12.475   8.005  -3.228
   52   2HB   LEU   7          3HB       LEU   7  12.647   6.674  -4.363
   53    HG   LEU   7           HG       LEU   7  10.133   6.577  -4.578
   54   1HD1  LEU   7          1HD1      LEU   7  10.273   9.147  -2.928
   55   2HD1  LEU   7          2HD1      LEU   7   8.854   8.587  -3.830
   56   3HD1  LEU   7          3HD1      LEU   7   9.454   7.639  -2.461
   57   1HD2  LEU   7          1HD2      LEU   7  11.460   9.245  -5.223
   58   2HD2  LEU   7          2HD2      LEU   7  11.534   7.769  -6.211
   59   3HD2  LEU   7          3HD2      LEU   7   9.989   8.597  -5.983
   60    H    ASP   8           H        ASP   8  13.201   4.284  -3.747
   61    HA   ASP   8           HA       ASP   8  11.023   2.690  -4.706
   62   1HB   ASP   8          2HB       ASP   8  13.186   2.729  -5.830
   63   2HB   ASP   8          3HB       ASP   8  13.987   2.082  -4.397
   64    H    ALA   9           H        ALA   9  13.184   2.340  -1.835
   65    HA   ALA   9           HA       ALA   9  12.096  -0.172  -1.024
   66   1HB   ALA   9          1HB       ALA   9  14.225   0.733  -0.137
   67   2HB   ALA   9          2HB       ALA   9  13.343   2.049   0.671
   68   3HB   ALA   9          3HB       ALA   9  13.091   0.367   1.179
   69    H    ALA  10           H        ALA  10  11.212   3.211  -0.172
   70    HA   ALA  10           HA       ALA  10   9.035   2.553   1.541
   71   1HB   ALA  10          1HB       ALA  10  10.053   4.775   1.519
   72   2HB   ALA  10          2HB       ALA  10   9.548   5.028  -0.166
   73   3HB   ALA  10          3HB       ALA  10   8.330   4.888   1.118
   74    H    LEU  11           H        LEU  11   9.198   2.995  -2.046
   75    HA   LEU  11           HA       LEU  11   6.412   2.702  -2.505
   76   1HB   LEU  11          2HB       LEU  11   7.972   3.495  -4.232
   77   2HB   LEU  11          3HB       LEU  11   8.792   1.936  -4.246
   78    HG   LEU  11           HG       LEU  11   6.759   0.822  -5.109
   79   1HD1  LEU  11          1HD1      LEU  11   4.955   2.137  -4.208
   80   2HD1  LEU  11          2HD1      LEU  11   5.596   3.621  -4.935
   81   3HD1  LEU  11          3HD1      LEU  11   4.895   2.343  -5.957
   82   1HD2  LEU  11          1HD2      LEU  11   7.604   3.275  -6.692
   83   2HD2  LEU  11          2HD2      LEU  11   8.432   1.705  -6.665
   84   3HD2  LEU  11          3HD2      LEU  11   6.805   1.834  -7.353
   85    H    LYS  12           H        LYS  12   9.002   0.165  -2.347
   86    HA   LYS  12           HA       LYS  12   7.228  -1.975  -2.839
   87   1HB   LYS  12          2HB       LYS  12   9.734  -2.031  -2.840
   88   2HB   LYS  12          3HB       LYS  12   9.718  -1.953  -1.071
   89   1HG   LYS  12          2HG       LYS  12   8.504  -4.121  -0.981
   90   2HG   LYS  12          3HG       LYS  12   8.410  -4.142  -2.749
   91   1HD   LYS  12          2HD       LYS  12  10.199  -5.594  -2.123
   92   2HD   LYS  12          3HD       LYS  12  10.916  -4.140  -2.845
   93   1HE   LYS  12          2HE       LYS  12  11.403  -3.254  -0.572
   94   2HE   LYS  12          3HE       LYS  12  10.640  -4.676   0.153
   95   1HZ   LYS  12          1HZ       LYS  12  12.367  -6.040  -0.866
   96   2HZ   LYS  12          2HZ       LYS  12  13.073  -4.728  -1.540
   97   3HZ   LYS  12          3HZ       LYS  12  13.040  -4.899   0.079
   98    H    LYS  13           H        LYS  13   8.123  -0.404   0.282
   99    HA   LYS  13           HA       LYS  13   6.461  -2.073   1.887
  100   1HB   LYS  13          2HB       LYS  13   8.254  -0.568   2.725
  101   2HB   LYS  13          3HB       LYS  13   7.239   0.839   2.377
  102   1HG   LYS  13          2HG       LYS  13   5.541   0.066   3.965
  103   2HG   LYS  13          3HG       LYS  13   6.417  -1.441   4.242
  104   1HD   LYS  13          2HD       LYS  13   7.485   1.336   4.921
  105   2HD   LYS  13          3HD       LYS  13   6.673   0.250   6.061
  106   1HE   LYS  13          2HE       LYS  13   8.429  -1.479   5.658
  107   2HE   LYS  13          3HE       LYS  13   9.271  -0.365   4.574
  108   1HZ   LYS  13          1HZ       LYS  13  10.216  -0.328   6.786
  109   2HZ   LYS  13          2HZ       LYS  13   9.580   1.135   6.457
  110   3HZ   LYS  13          3HZ       LYS  13   8.800   0.099   7.462
  111    H    ALA  14           H        ALA  14   5.694   1.043   0.200
  112    HA   ALA  14           HA       ALA  14   3.043   1.231   1.146
  113   1HB   ALA  14          1HB       ALA  14   4.265   3.068  -0.012
  114   2HB   ALA  14          2HB       ALA  14   4.107   2.181  -1.547
  115   3HB   ALA  14          3HB       ALA  14   2.658   2.752  -0.694
  116    H    LYS  15           H        LYS  15   4.323  -0.473  -1.775
  117    HA   LYS  15           HA       LYS  15   1.775  -1.338  -2.733
  118   1HB   LYS  15          2HB       LYS  15   4.592  -2.451  -3.059
  119   2HB   LYS  15          3HB       LYS  15   3.174  -3.190  -3.819
  120   1HG   LYS  15          2HG       LYS  15   2.661  -1.168  -5.036
  121   2HG   LYS  15          3HG       LYS  15   3.985  -0.284  -4.256
  122   1HD   LYS  15          2HD       LYS  15   5.633  -1.780  -5.307
  123   2HD   LYS  15          3HD       LYS  15   4.324  -2.758  -6.009
  124   1HE   LYS  15          2HE       LYS  15   3.516  -0.749  -7.255
  125   2HE   LYS  15          3HE       LYS  15   4.867   0.186  -6.607
  126   1HZ   LYS  15          1HZ       LYS  15   5.114  -2.196  -8.361
  127   2HZ   LYS  15          2HZ       LYS  15   5.349  -0.655  -8.825
  128   3HZ   LYS  15          3HZ       LYS  15   6.377  -1.349  -7.766
  129    H    GLU  16           H        GLU  16   4.092  -2.898  -0.451
  130    HA   GLU  16           HA       GLU  16   2.570  -5.259  -0.081
  131   1HB   GLU  16          2HB       GLU  16   4.926  -4.949   0.621
  132   2HB   GLU  16          3HB       GLU  16   4.413  -3.832   1.892
  133   1HG   GLU  16          2HG       GLU  16   3.105  -5.632   2.971
  134   2HG   GLU  16          3HG       GLU  16   3.524  -6.740   1.662
  135    H    LEU  17           H        LEU  17   2.555  -2.160   1.765
  136    HA   LEU  17           HA       LEU  17   0.493  -2.816   3.583
  137   1HB   LEU  17          2HB       LEU  17   1.371  -0.168   2.368
  138   2HB   LEU  17          3HB       LEU  17   0.109  -0.264   3.588
  139    HG   LEU  17           HG       LEU  17   2.913  -1.358   4.054
  140   1HD1  LEU  17          1HD1      LEU  17   3.050   1.061   3.595
  141   2HD1  LEU  17          2HD1      LEU  17   1.810   1.375   4.831
  142   3HD1  LEU  17          3HD1      LEU  17   3.387   0.707   5.293
  143   1HD2  LEU  17          1HD2      LEU  17   2.293  -1.167   6.439
  144   2HD2  LEU  17          2HD2      LEU  17   0.665  -0.629   5.976
  145   3HD2  LEU  17          3HD2      LEU  17   1.220  -2.274   5.583
  146    H    ALA  18           H        ALA  18   0.256  -1.245   0.356
  147    HA   ALA  18           HA       ALA  18  -2.531  -0.931   0.269
  148   1HB   ALA  18          1HB       ALA  18  -0.945   0.191  -1.259
  149   2HB   ALA  18          2HB       ALA  18  -0.563  -1.379  -2.005
  150   3HB   ALA  18          3HB       ALA  18  -2.191  -0.694  -2.160
  151    H    SER  19           H        SER  19  -0.742  -3.888   0.098
  152    HA   SER  19           HA       SER  19  -2.989  -5.312  -1.249
  153   1HB   SER  19          2HB       SER  19  -0.131  -6.227  -0.755
  154   2HB   SER  19          3HB       SER  19  -1.352  -7.005  -1.779
  155    HG   SER  19           HG       SER  19   0.019  -4.550  -2.153
  156    H    SER  20           H        SER  20  -1.743  -4.690   1.876
  157    HA   SER  20           HA       SER  20  -1.891  -7.333   2.938
  158   1HB   SER  20          2HB       SER  20  -1.484  -6.254   5.085
  159   2HB   SER  20          3HB       SER  20  -0.406  -5.635   3.831
  160    HG   SER  20           HG       SER  20  -1.789  -3.784   3.666
  161    H    ALA  21           H        ALA  21  -4.448  -5.148   2.230
  162    HA   ALA  21           HA       ALA  21  -6.395  -6.898   3.547
  163   1HB   ALA  21          1HB       ALA  21  -6.237  -3.881   4.037
  164   2HB   ALA  21          2HB       ALA  21  -7.604  -4.893   4.505
  165   3HB   ALA  21          3HB       ALA  21  -6.021  -5.155   5.255
  166    HA   PRO  22           HA       PRO  22  -8.423  -6.058  -0.299
  167   1HB   PRO  22          2HB       PRO  22 -11.110  -6.091   0.260
  168   2HB   PRO  22          3HB       PRO  22 -10.073  -7.546   0.305
  169   1HG   PRO  22          2HG       PRO  22 -10.857  -5.764   2.643
  170   2HG   PRO  22          3HG       PRO  22 -10.991  -7.552   2.524
  171   1HD   PRO  22          2HD       PRO  22  -8.888  -6.412   3.745
  172   2HD   PRO  22          3HD       PRO  22  -8.629  -7.813   2.669
  173    H    VAL  23           H        VAL  23  -8.787  -3.755   2.285
  174    HA   VAL  23           HA       VAL  23  -9.148  -1.609   0.316
  175    HB   VAL  23           HB       VAL  23 -10.684  -1.780   2.941
  176   1HG1  VAL  23          1HG1      VAL  23 -10.584   0.404   0.825
  177   2HG1  VAL  23          2HG1      VAL  23 -11.789   0.326   2.123
  178   3HG1  VAL  23          3HG1      VAL  23 -10.081   0.523   2.517
  179   1HG2  VAL  23          1HG2      VAL  23 -11.750  -3.222   1.320
  180   2HG2  VAL  23          2HG2      VAL  23 -12.732  -1.794   1.621
  181   3HG2  VAL  23          3HG2      VAL  23 -11.775  -1.916   0.119
  182    H    VAL  24           H        VAL  24  -7.682   0.013   0.800
  183    HA   VAL  24           HA       VAL  24  -6.410   0.009   3.461
  184    HB   VAL  24           HB       VAL  24  -4.770  -0.002   0.898
  185   1HG1  VAL  24          1HG1      VAL  24  -2.857  -0.218   2.480
  186   2HG1  VAL  24          2HG1      VAL  24  -3.740   1.282   2.740
  187   3HG1  VAL  24          3HG1      VAL  24  -3.974  -0.087   3.849
  188   1HG2  VAL  24          1HG2      VAL  24  -3.945  -2.223   1.645
  189   2HG2  VAL  24          2HG2      VAL  24  -5.133  -2.224   2.952
  190   3HG2  VAL  24          3HG2      VAL  24  -5.646  -2.275   1.247
  191    H    VAL  25           H        VAL  25  -6.030   2.038   4.139
  192    HA   VAL  25           HA       VAL  25  -6.473   4.324   2.269
  193    HB   VAL  25           HB       VAL  25  -7.189   3.979   5.211
  194   1HG1  VAL  25          1HG1      VAL  25  -8.363   6.159   4.983
  195   2HG1  VAL  25          2HG1      VAL  25  -6.613   6.276   4.802
  196   3HG1  VAL  25          3HG1      VAL  25  -7.648   6.349   3.363
  197   1HG2  VAL  25          1HG2      VAL  25  -9.057   4.161   2.820
  198   2HG2  VAL  25          2HG2      VAL  25  -8.759   2.710   3.800
  199   3HG2  VAL  25          3HG2      VAL  25  -9.537   4.105   4.529
  200    H    PHE  26           H        PHE  26  -4.949   6.005   2.486
  201    HA   PHE  26           HA       PHE  26  -2.764   5.690   4.490
  202   1HB   PHE  26          2HB       PHE  26  -2.502   6.568   1.582
  203   2HB   PHE  26          3HB       PHE  26  -1.233   6.639   2.786
  204    HD1  PHE  26           1HD      PHE  26   0.085   4.685   3.349
  205    HD2  PHE  26           2HD      PHE  26  -3.300   4.357   0.695
  206    HE1  PHE  26           1HE      PHE  26   0.853   2.434   2.644
  207    HE2  PHE  26           2HE      PHE  26  -2.527   2.101  -0.001
  208    HZ   PHE  26           HZ       PHE  26  -0.447   1.145   0.965
  209    H    SER  27           H        SER  27  -3.001   7.391   5.866
  210    HA   SER  27           HA       SER  27  -3.826  10.041   4.850
  211   1HB   SER  27          2HB       SER  27  -5.380   8.393   6.883
  212   2HB   SER  27          3HB       SER  27  -5.677  10.101   6.508
  213    HG   SER  27           HG       SER  27  -7.044   8.530   5.418
  214    H    LYS  28           H        LYS  28  -3.467  11.736   6.456
  215    HA   LYS  28           HA       LYS  28  -1.596  11.000   8.614
  216   1HB   LYS  28          2HB       LYS  28  -2.783  13.671   7.755
  217   2HB   LYS  28          3HB       LYS  28  -1.710  13.460   9.144
  218   1HG   LYS  28          2HG       LYS  28   0.058  12.541   7.661
  219   2HG   LYS  28          3HG       LYS  28  -0.998  12.754   6.259
  220   1HD   LYS  28          2HD       LYS  28  -1.067  15.203   6.681
  221   2HD   LYS  28          3HD       LYS  28   0.020  14.983   8.073
  222   1HE   LYS  28          2HE       LYS  28   1.742  14.005   6.565
  223   2HE   LYS  28          3HE       LYS  28   0.663  14.230   5.182
  224   1HZ   LYS  28          1HZ       LYS  28   2.270  16.020   5.348
  225   2HZ   LYS  28          2HZ       LYS  28   0.777  16.629   5.571
  226   3HZ   LYS  28          3HZ       LYS  28   1.781  16.416   6.848
  227    H    THR  29           H        THR  29  -2.216  11.888  10.885
  228    HA   THR  29           HA       THR  29  -4.387  10.226  11.664
  229    HB   THR  29           HB       THR  29  -3.663  11.311  13.948
  230    HG1  THR  29           1HG      THR  29  -1.744  12.429  13.848
  231   1HG2  THR  29          1HG2      THR  29  -2.914   9.084  13.213
  232   2HG2  THR  29          2HG2      THR  29  -1.627   9.813  12.226
  233   3HG2  THR  29          3HG2      THR  29  -1.596   9.965  13.998
  234    H    TYR  30           H        TYR  30  -3.974  13.792  11.647
  235    HA   TYR  30           HA       TYR  30  -6.310  14.223  13.230
  236   1HB   TYR  30          2HB       TYR  30  -5.814  16.609  12.847
  237   2HB   TYR  30          3HB       TYR  30  -4.427  15.685  13.387
  238    HD1  TYR  30           1HD      TYR  30  -2.403  15.588  12.082
  239    HD2  TYR  30           2HD      TYR  30  -6.004  17.250  10.370
  240    HE1  TYR  30           1HE      TYR  30  -1.104  16.398  10.143
  241    HE2  TYR  30           2HE      TYR  30  -4.731  17.997   8.395
  242    HH   TYR  30           HH       TYR  30  -1.164  17.566   8.123
  243    H    CYS  31           H        CYS  31  -6.005  13.957   9.710
  244    HA   CYS  31           HA       CYS  31  -7.776  15.818   8.880
  245   1HB   CYS  31          2HB       CYS  31  -7.512  13.079   7.619
  246   2HB   CYS  31          3HB       CYS  31  -7.872  14.621   6.819
  247    H    GLY  32           H        GLY  32  -9.840  16.249   9.176
  248   1HA   GLY  32          1HA       GLY  32 -11.858  14.555  10.221
  249   2HA   GLY  32          2HA       GLY  32 -12.115  16.013   9.237
  250    H    TYR  33           H        TYR  33 -10.668  15.084   6.892
  251    HA   TYR  33           HA       TYR  33 -12.612  13.465   5.561
  252   1HB   TYR  33          2HB       TYR  33  -9.769  14.241   4.812
  253   2HB   TYR  33          3HB       TYR  33 -10.884  13.401   3.747
  254    HD1  TYR  33           1HD      TYR  33  -9.773  16.635   4.855
  255    HD2  TYR  33           2HD      TYR  33 -13.169  14.521   3.224
  256    HE1  TYR  33           1HE      TYR  33 -10.732  18.779   4.078
  257    HE2  TYR  33           2HE      TYR  33 -14.123  16.657   2.427
  258    HH   TYR  33           HH       TYR  33 -13.854  18.972   2.301
  259    H    CYS  34           H        CYS  34  -9.564  12.592   7.278
  260    HA   CYS  34           HA       CYS  34  -9.481   9.868   6.243
  261   1HB   CYS  34          2HB       CYS  34  -7.496  10.907   7.320
  262   2HB   CYS  34          3HB       CYS  34  -8.380  11.049   8.848
  263    HG   CYS  34           HG       CYS  34  -6.676   9.123   9.041
  264    H    ASN  35           H        ASN  35 -10.744  11.466   9.201
  265    HA   ASN  35           HA       ASN  35 -12.165   9.267  10.266
  266   1HB   ASN  35          2HB       ASN  35 -12.209  10.999  11.738
  267   2HB   ASN  35          3HB       ASN  35 -12.279  12.235  10.500
  268   1HD2  ASN  35          2HD2      ASN  35 -14.320  12.921   9.654
  269   2HD2  ASN  35          1HD2      ASN  35 -15.811  12.535  10.486
  270    H    ARG  36           H        ARG  36 -13.230  11.547   7.683
  271    HA   ARG  36           HA       ARG  36 -15.831  10.463   7.439
  272   1HB   ARG  36          2HB       ARG  36 -14.955  12.649   6.491
  273   2HB   ARG  36          3HB       ARG  36 -14.199  11.719   5.188
  274   1HG   ARG  36          2HG       ARG  36 -16.440  10.828   4.544
  275   2HG   ARG  36          3HG       ARG  36 -17.185  11.791   5.828
  276   1HD   ARG  36          2HD       ARG  36 -15.616  12.883   3.448
  277   2HD   ARG  36          3HD       ARG  36 -17.382  12.849   3.602
  278    HE   ARG  36           HE       ARG  36 -16.290  14.202   5.852
  279   1HH1  ARG  36          1HH2      ARG  36 -16.828  14.710   2.378
  280   2HH1  ARG  36          2HH2      ARG  36 -16.932  16.424   2.501
  281   1HH2  ARG  36          1HH1      ARG  36 -16.377  16.495   6.009
  282   2HH2  ARG  36          2HH1      ARG  36 -16.647  17.458   4.611
  283    H    VAL  37           H        VAL  37 -12.820   9.597   5.605
  284    HA   VAL  37           HA       VAL  37 -14.040   7.599   3.988
  285    HB   VAL  37           HB       VAL  37 -11.187   7.979   4.997
  286   1HG1  VAL  37          1HG1      VAL  37 -11.413   5.600   4.432
  287   2HG1  VAL  37          2HG1      VAL  37 -12.165   6.013   2.876
  288   3HG1  VAL  37          3HG1      VAL  37 -10.467   6.433   3.203
  289   1HG2  VAL  37          1HG2      VAL  37 -12.493   8.455   2.288
  290   2HG2  VAL  37          2HG2      VAL  37 -12.084   9.723   3.453
  291   3HG2  VAL  37          3HG2      VAL  37 -10.792   8.776   2.697
  292    H    LYS  38           H        LYS  38 -12.316   7.279   7.132
  293    HA   LYS  38           HA       LYS  38 -12.742   4.535   7.544
  294   1HB   LYS  38          2HB       LYS  38 -12.656   6.825   9.552
  295   2HB   LYS  38          3HB       LYS  38 -12.682   5.121  10.005
  296   1HG   LYS  38          2HG       LYS  38 -10.544   4.715   8.884
  297   2HG   LYS  38          3HG       LYS  38 -10.520   6.344   8.223
  298   1HD   LYS  38          2HD       LYS  38  -9.027   6.238  10.111
  299   2HD   LYS  38          3HD       LYS  38 -10.388   7.295  10.504
  300   1HE   LYS  38          2HE       LYS  38 -11.456   5.442  11.784
  301   2HE   LYS  38          3HE       LYS  38 -10.121   4.369  11.356
  302   1HZ   LYS  38          1HZ       LYS  38  -8.635   5.835  12.606
  303   2HZ   LYS  38          2HZ       LYS  38  -9.876   6.827  12.997
  304   3HZ   LYS  38          3HZ       LYS  38  -9.840   5.302  13.562
  305    H    GLN  39           H        GLN  39 -14.995   7.226   8.561
  306    HA   GLN  39           HA       GLN  39 -16.961   5.401   9.546
  307   1HB   GLN  39          2HB       GLN  39 -17.167   8.292   8.602
  308   2HB   GLN  39          3HB       GLN  39 -18.546   7.358   9.182
  309   1HG   GLN  39          2HG       GLN  39 -17.224   6.907  11.327
  310   2HG   GLN  39          3HG       GLN  39 -16.073   8.119  10.773
  311   1HE2  GLN  39          2HE2      GLN  39 -16.483  10.107  11.793
  312   2HE2  GLN  39          1HE2      GLN  39 -18.084  10.704  12.176
  313    H    LEU  40           H        LEU  40 -16.517   6.795   6.252
  314    HA   LEU  40           HA       LEU  40 -18.992   5.971   5.177
  315   1HB   LEU  40          2HB       LEU  40 -17.203   7.517   4.168
  316   2HB   LEU  40          3HB       LEU  40 -16.321   6.066   3.718
  317    HG   LEU  40           HG       LEU  40 -18.433   5.378   2.372
  318   1HD1  LEU  40          1HD1      LEU  40 -20.097   6.856   3.387
  319   2HD1  LEU  40          2HD1      LEU  40 -19.129   8.290   2.979
  320   3HD1  LEU  40          3HD1      LEU  40 -19.869   7.321   1.697
  321   1HD2  LEU  40          1HD2      LEU  40 -16.389   6.229   1.341
  322   2HD2  LEU  40          2HD2      LEU  40 -17.827   6.831   0.511
  323   3HD2  LEU  40          3HD2      LEU  40 -16.927   7.903   1.611
  324    H    LEU  41           H        LEU  41 -15.833   4.300   5.283
  325    HA   LEU  41           HA       LEU  41 -16.704   1.873   4.012
  326   1HB   LEU  41          2HB       LEU  41 -14.367   2.566   5.842
  327   2HB   LEU  41          3HB       LEU  41 -14.551   0.995   5.074
  328    HG   LEU  41           HG       LEU  41 -14.387   3.601   3.500
  329   1HD1  LEU  41          1HD1      LEU  41 -12.042   2.981   3.049
  330   2HD1  LEU  41          2HD1      LEU  41 -12.322   3.250   4.777
  331   3HD1  LEU  41          3HD1      LEU  41 -12.192   1.595   4.157
  332   1HD2  LEU  41          1HD2      LEU  41 -14.158   0.680   2.656
  333   2HD2  LEU  41          2HD2      LEU  41 -15.455   1.814   2.228
  334   3HD2  LEU  41          3HD2      LEU  41 -13.826   2.079   1.610
  335    H    THR  42           H        THR  42 -16.411   2.858   7.453
  336    HA   THR  42           HA       THR  42 -17.051   0.343   8.576
  337    HB   THR  42           HB       THR  42 -17.617   3.142   9.645
  338    HG1  THR  42           1HG      THR  42 -15.484   2.941   9.247
  339   1HG2  THR  42          1HG2      THR  42 -17.430   2.085  11.884
  340   2HG2  THR  42          2HG2      THR  42 -18.830   1.491  10.977
  341   3HG2  THR  42          3HG2      THR  42 -17.369   0.482  11.112
  342    H    GLN  43           H        GLN  43 -19.220   3.011   7.459
  343    HA   GLN  43           HA       GLN  43 -21.565   1.894   8.603
  344   1HB   GLN  43          2HB       GLN  43 -21.069   3.876   6.359
  345   2HB   GLN  43          3HB       GLN  43 -22.709   3.386   6.795
  346   1HG   GLN  43          2HG       GLN  43 -22.517   4.222   9.025
  347   2HG   GLN  43          3HG       GLN  43 -20.776   4.450   8.889
  348   1HE2  GLN  43          2HE2      GLN  43 -19.985   6.064   7.341
  349   2HE2  GLN  43          1HE2      GLN  43 -20.955   7.497   7.003
  350    H    VAL  44           H        VAL  44 -20.055   1.313   5.389
  351    HA   VAL  44           HA       VAL  44 -22.303  -0.396   4.597
  352    HB   VAL  44           HB       VAL  44 -20.983  -0.833   2.566
  353   1HG1  VAL  44          1HG1      VAL  44 -21.186   1.398   1.618
  354   2HG1  VAL  44          2HG1      VAL  44 -22.543   1.084   2.710
  355   3HG1  VAL  44          3HG1      VAL  44 -21.205   2.134   3.233
  356   1HG2  VAL  44          1HG2      VAL  44 -18.679  -0.625   3.462
  357   2HG2  VAL  44          2HG2      VAL  44 -18.955   0.435   2.069
  358   3HG2  VAL  44          3HG2      VAL  44 -18.929   1.117   3.696
  359    H    GLY  45           H        GLY  45 -19.778  -0.867   6.770
  360   1HA   GLY  45          1HA       GLY  45 -19.098  -2.757   7.847
  361   2HA   GLY  45          2HA       GLY  45 -20.197  -3.725   6.849
  362    H    ALA  46           H        ALA  46 -17.624  -1.566   5.570
  363    HA   ALA  46           HA       ALA  46 -16.381  -3.822   4.150
  364   1HB   ALA  46          1HB       ALA  46 -14.870  -2.078   3.275
  365   2HB   ALA  46          2HB       ALA  46 -16.573  -1.656   3.003
  366   3HB   ALA  46          3HB       ALA  46 -15.660  -0.870   4.306
  367    H    SER  47           H        SER  47 -14.628  -4.899   4.888
  368    HA   SER  47           HA       SER  47 -13.271  -4.128   7.383
  369   1HB   SER  47          2HB       SER  47 -12.629  -6.257   5.283
  370   2HB   SER  47          3HB       SER  47 -11.891  -6.113   6.890
  371    HG   SER  47           HG       SER  47 -13.589  -7.656   6.843
  372    H    TYR  48           H        TYR  48 -11.309  -2.920   7.403
  373    HA   TYR  48           HA       TYR  48  -9.873  -2.458   4.888
  374   1HB   TYR  48          2HB       TYR  48  -9.988  -0.016   5.073
  375   2HB   TYR  48          3HB       TYR  48 -11.573  -0.706   4.817
  376    HD1  TYR  48           1HD      TYR  48 -13.324  -0.523   6.437
  377    HD2  TYR  48           2HD      TYR  48  -9.405   1.054   7.331
  378    HE1  TYR  48           1HE      TYR  48 -14.272   0.709   8.350
  379    HE2  TYR  48           2HE      TYR  48 -10.353   2.289   9.247
  380    HH   TYR  48           HH       TYR  48 -13.839   2.146  10.111
  381    H    LYS  49           H        LYS  49  -7.916  -1.227   5.211
  382    HA   LYS  49           HA       LYS  49  -6.832  -1.220   7.995
  383   1HB   LYS  49          2HB       LYS  49  -5.752  -2.915   6.515
  384   2HB   LYS  49          3HB       LYS  49  -5.387  -1.648   5.335
  385   1HG   LYS  49          2HG       LYS  49  -3.934  -0.515   7.033
  386   2HG   LYS  49          3HG       LYS  49  -4.322  -1.807   8.193
  387   1HD   LYS  49          2HD       LYS  49  -3.349  -3.470   6.576
  388   2HD   LYS  49          3HD       LYS  49  -2.976  -2.137   5.480
  389   1HE   LYS  49          2HE       LYS  49  -0.959  -2.707   6.591
  390   2HE   LYS  49          3HE       LYS  49  -1.480  -1.140   7.218
  391   1HZ   LYS  49          1HZ       LYS  49  -1.852  -3.749   8.589
  392   2HZ   LYS  49          2HZ       LYS  49  -0.734  -2.633   8.980
  393   3HZ   LYS  49          3HZ       LYS  49  -2.313  -2.300   9.198
  394    H    VAL  50           H        VAL  50  -5.676   0.746   8.490
  395    HA   VAL  50           HA       VAL  50  -5.692   2.852   6.434
  396    HB   VAL  50           HB       VAL  50  -7.729   3.352   7.376
  397   1HG1  VAL  50          1HG1      VAL  50  -7.896   1.947   9.287
  398   2HG1  VAL  50          2HG1      VAL  50  -6.642   2.871  10.162
  399   3HG1  VAL  50          3HG1      VAL  50  -8.214   3.608   9.790
  400   1HG2  VAL  50          1HG2      VAL  50  -5.808   5.110   8.941
  401   2HG2  VAL  50          2HG2      VAL  50  -6.153   5.278   7.206
  402   3HG2  VAL  50          3HG2      VAL  50  -7.447   5.510   8.388
  403    H    VAL  51           H        VAL  51  -3.684   3.203   6.178
  404    HA   VAL  51           HA       VAL  51  -1.656   2.937   8.252
  405    HB   VAL  51           HB       VAL  51  -1.544   4.023   5.395
  406   1HG1  VAL  51          1HG1      VAL  51   0.893   3.654   5.588
  407   2HG1  VAL  51          2HG1      VAL  51   0.335   4.828   6.785
  408   3HG1  VAL  51          3HG1      VAL  51   0.691   3.158   7.282
  409   1HG2  VAL  51          1HG2      VAL  51  -0.876   1.255   6.485
  410   2HG2  VAL  51          2HG2      VAL  51  -2.195   1.656   5.360
  411   3HG2  VAL  51          3HG2      VAL  51  -0.526   1.825   4.838
  412    H    GLU  52           H        GLU  52  -1.911   4.388   9.819
  413    HA   GLU  52           HA       GLU  52  -2.652   7.183   9.432
  414   1HB   GLU  52          2HB       GLU  52  -1.628   5.581  11.811
  415   2HB   GLU  52          3HB       GLU  52  -1.981   7.315  11.863
  416   1HG   GLU  52          2HG       GLU  52  -4.324   6.880  11.159
  417   2HG   GLU  52          3HG       GLU  52  -4.007   5.152  11.110
  418    H    LEU  53           H        LEU  53  -1.246   7.562   7.792
  419    HA   LEU  53           HA       LEU  53   1.393   6.936   7.423
  420   1HB   LEU  53          2HB       LEU  53  -0.433   7.798   5.861
  421   2HB   LEU  53          3HB       LEU  53  -0.067   9.420   6.442
  422    HG   LEU  53           HG       LEU  53   2.226   9.224   5.503
  423   1HD1  LEU  53          1HD1      LEU  53   1.242   6.506   4.502
  424   2HD1  LEU  53          2HD1      LEU  53   2.676   7.352   3.890
  425   3HD1  LEU  53          3HD1      LEU  53   2.633   6.811   5.572
  426   1HD2  LEU  53          1HD2      LEU  53   1.476   9.225   3.094
  427   2HD2  LEU  53          2HD2      LEU  53  -0.099   8.616   3.616
  428   3HD2  LEU  53          3HD2      LEU  53   0.460  10.216   4.152
  429    H    ASP  54           H        ASP  54   0.158   9.599   9.383
  430    HA   ASP  54           HA       ASP  54   2.629  11.119   9.436
  431   1HB   ASP  54          2HB       ASP  54   0.407  12.107   9.968
  432   2HB   ASP  54          3HB       ASP  54   0.288  11.071  11.390
  433    H    GLU  55           H        GLU  55   1.503   8.243  11.118
  434    HA   GLU  55           HA       GLU  55   3.759   8.436  13.069
  435   1HB   GLU  55          2HB       GLU  55   1.067   7.039  13.339
  436   2HB   GLU  55          3HB       GLU  55   2.394   6.963  14.506
  437   1HG   GLU  55          2HG       GLU  55   2.281   9.502  14.658
  438   2HG   GLU  55          3HG       GLU  55   0.769   9.417  13.751
  439    H    LEU  56           H        LEU  56   2.807   6.909  10.249
  440    HA   LEU  56           HA       LEU  56   3.769   4.248  10.587
  441   1HB   LEU  56          2HB       LEU  56   2.472   5.198   8.660
  442   2HB   LEU  56          3HB       LEU  56   3.892   6.084   8.145
  443    HG   LEU  56           HG       LEU  56   3.317   4.040   6.854
  444   1HD1  LEU  56          1HD1      LEU  56   5.657   4.949   6.873
  445   2HD1  LEU  56          2HD1      LEU  56   6.073   3.667   8.050
  446   3HD1  LEU  56          3HD1      LEU  56   5.495   3.241   6.447
  447   1HD2  LEU  56          1HD2      LEU  56   2.590   2.620   8.770
  448   2HD2  LEU  56          2HD2      LEU  56   3.727   1.818   7.678
  449   3HD2  LEU  56          3HD2      LEU  56   4.291   2.424   9.243
  450    H    SER  57           H        SER  57   5.875   3.464  10.675
  451    HA   SER  57           HA       SER  57   7.770   4.890  11.920
  452   1HB   SER  57          2HB       SER  57   8.372   2.539  10.108
  453   2HB   SER  57          3HB       SER  57   9.151   2.957  11.646
  454    HG   SER  57           HG       SER  57   7.615   1.277  11.901
  455    H    ASP  58           H        ASP  58   7.380   4.975   8.445
  456    HA   ASP  58           HA       ASP  58   9.729   6.757   8.216
  457   1HB   ASP  58          2HB       ASP  58  10.347   4.414   7.507
  458   2HB   ASP  58          3HB       ASP  58   9.119   4.524   6.242
  459    H    GLY  59           H        GLY  59   6.963   7.227   8.571
  460   1HA   GLY  59          1HA       GLY  59   5.135   7.400   6.680
  461   2HA   GLY  59          2HA       GLY  59   5.379   8.683   7.868
  462    H    SER  60           H        SER  60   7.530  10.129   7.011
  463    HA   SER  60           HA       SER  60   6.485  11.642   4.915
  464   1HB   SER  60          2HB       SER  60   9.420  11.507   5.689
  465   2HB   SER  60          3HB       SER  60   8.532  12.901   5.048
  466    HG   SER  60           HG       SER  60   7.374  13.004   6.985
  467    H    GLN  61           H        GLN  61   8.951   9.028   4.720
  468    HA   GLN  61           HA       GLN  61   9.417   9.559   1.867
  469   1HB   GLN  61          2HB       GLN  61  10.289   7.189   3.544
  470   2HB   GLN  61          3HB       GLN  61  10.839   7.598   1.915
  471   1HG   GLN  61          2HG       GLN  61  11.630   9.848   2.915
  472   2HG   GLN  61          3HG       GLN  61  11.385   9.109   4.500
  473   1HE2  GLN  61          2HE2      GLN  61  12.409   6.617   4.427
  474   2HE2  GLN  61          1HE2      GLN  61  14.084   6.599   3.860
  475    H    LEU  62           H        LEU  62   7.432   7.394   3.887
  476    HA   LEU  62           HA       LEU  62   6.434   5.746   1.790
  477   1HB   LEU  62          2HB       LEU  62   6.248   5.685   4.457
  478   2HB   LEU  62          3HB       LEU  62   4.772   6.565   4.179
  479    HG   LEU  62           HG       LEU  62   4.295   4.236   4.462
  480   1HD1  LEU  62          1HD1      LEU  62   4.043   4.748   1.486
  481   2HD1  LEU  62          2HD1      LEU  62   3.103   3.602   2.456
  482   3HD1  LEU  62          3HD1      LEU  62   2.914   5.340   2.722
  483   1HD2  LEU  62          1HD2      LEU  62   6.179   3.603   2.155
  484   2HD2  LEU  62          2HD2      LEU  62   6.543   3.369   3.874
  485   3HD2  LEU  62          3HD2      LEU  62   5.234   2.449   3.111
  486    H    GLN  63           H        GLN  63   5.251   8.879   3.116
  487    HA   GLN  63           HA       GLN  63   3.085   9.202   1.316
  488   1HB   GLN  63          2HB       GLN  63   3.513  10.448   3.457
  489   2HB   GLN  63          3HB       GLN  63   4.771  11.371   2.655
  490   1HG   GLN  63          2HG       GLN  63   1.868  11.264   1.699
  491   2HG   GLN  63          3HG       GLN  63   2.439  12.436   2.874
  492   1HE2  GLN  63          2HE2      GLN  63   1.381  12.661  -0.037
  493   2HE2  GLN  63          1HE2      GLN  63   2.567  13.715  -0.783
  494    H    SER  64           H        SER  64   6.546  10.153   1.071
  495    HA   SER  64           HA       SER  64   6.368  11.490  -1.422
  496   1HB   SER  64          2HB       SER  64   8.701   9.836  -0.369
  497   2HB   SER  64          3HB       SER  64   8.762  11.073  -1.622
  498    HG   SER  64           HG       SER  64   8.034  11.483   1.121
  499    H    ALA  65           H        ALA  65   6.879   7.987  -0.694
  500    HA   ALA  65           HA       ALA  65   7.069   7.143  -3.406
  501   1HB   ALA  65          1HB       ALA  65   7.776   5.743  -1.524
  502   2HB   ALA  65          2HB       ALA  65   6.091   5.608  -0.960
  503   3HB   ALA  65          3HB       ALA  65   6.566   4.921  -2.524
  504    H    LEU  66           H        LEU  66   4.230   7.428  -1.203
  505    HA   LEU  66           HA       LEU  66   2.255   6.499  -2.986
  506   1HB   LEU  66          2HB       LEU  66   2.344   8.119  -0.515
  507   2HB   LEU  66          3HB       LEU  66   1.081   8.666  -1.582
  508    HG   LEU  66           HG       LEU  66   0.257   7.082   0.051
  509   1HD1  LEU  66          1HD1      LEU  66  -1.039   5.675  -1.366
  510   2HD1  LEU  66          2HD1      LEU  66  -0.776   7.192  -2.244
  511   3HD1  LEU  66          3HD1      LEU  66   0.155   5.740  -2.673
  512   1HD2  LEU  66          1HD2      LEU  66   2.066   5.001  -1.245
  513   2HD2  LEU  66          2HD2      LEU  66   2.299   5.747   0.346
  514   3HD2  LEU  66          3HD2      LEU  66   0.883   4.724   0.052
  515    H    ALA  67           H        ALA  67   3.603   9.829  -2.667
  516    HA   ALA  67           HA       ALA  67   1.887  10.903  -4.685
  517   1HB   ALA  67          1HB       ALA  67   3.426  12.840  -4.640
  518   2HB   ALA  67          2HB       ALA  67   3.057  12.302  -2.989
  519   3HB   ALA  67          3HB       ALA  67   4.619  11.891  -3.731
  520    H    HIS  68           H        HIS  68   5.249   9.724  -4.862
  521    HA   HIS  68           HA       HIS  68   5.708  10.138  -7.611
  522   1HB   HIS  68          2HB       HIS  68   7.571   9.558  -6.349
  523   2HB   HIS  68          3HB       HIS  68   6.724   8.310  -5.450
  524    HD1  HIS  68           1HD      HIS  68   8.610   8.685  -8.779
  525    HD2  HIS  68           2HD      HIS  68   6.598   5.872  -6.372
  526    HE1  HIS  68           1HE      HIS  68   9.168   6.396  -9.744
  527    H    TRP  69           H        TRP  69   4.137   7.383  -5.943
  528    HA   TRP  69           HA       TRP  69   3.956   5.773  -8.309
  529   1HB   TRP  69          2HB       TRP  69   4.257   4.942  -6.040
  530   2HB   TRP  69          3HB       TRP  69   2.718   5.610  -5.534
  531    HD1  TRP  69           HD1      TRP  69   2.795   3.619  -8.802
  532    HE1  TRP  69           HE1      TRP  69   1.606   1.416  -8.474
  533    HE3  TRP  69           HE3      TRP  69   2.236   3.782  -3.713
  534    HZ2  TRP  69           HZ2      TRP  69   0.441  -0.101  -6.269
  535    HZ3  TRP  69           HZ3      TRP  69   1.092   1.922  -2.522
  536    HH2  TRP  69           HH2      TRP  69   0.181  -0.003  -3.797
  537    H    THR  70           H        THR  70   1.460   7.496  -6.322
  538    HA   THR  70           HA       THR  70  -0.605   6.581  -8.180
  539    HB   THR  70           HB       THR  70  -2.158   7.465  -6.564
  540    HG1  THR  70           1HG      THR  70   0.058   8.450  -5.081
  541   1HG2  THR  70          1HG2      THR  70  -1.013   5.270  -6.054
  542   2HG2  THR  70          2HG2      THR  70   0.114   6.143  -5.012
  543   3HG2  THR  70          3HG2      THR  70  -1.615   6.129  -4.623
  544    H    GLY  71           H        GLY  71   1.275   9.506  -7.747
  545   1HA   GLY  71          1HA       GLY  71   1.222  11.508  -8.849
  546   2HA   GLY  71          2HA       GLY  71  -0.110  10.932  -9.868
  547    H    ARG  72           H        ARG  72  -0.974  10.348  -6.617
  548    HA   ARG  72           HA       ARG  72  -2.095  13.023  -6.097
  549   1HB   ARG  72          2HB       ARG  72  -3.722  11.711  -7.583
  550   2HB   ARG  72          3HB       ARG  72  -3.831  10.525  -6.283
  551   1HG   ARG  72          2HG       ARG  72  -4.300  12.892  -4.916
  552   2HG   ARG  72          3HG       ARG  72  -4.949  13.309  -6.488
  553   1HD   ARG  72          2HD       ARG  72  -6.631  11.660  -6.373
  554   2HD   ARG  72          3HD       ARG  72  -5.746  10.677  -5.205
  555    HE   ARG  72           HE       ARG  72  -7.517  12.899  -4.635
  556   1HH1  ARG  72          1HH2      ARG  72  -4.646  11.204  -3.371
  557   2HH1  ARG  72          2HH2      ARG  72  -5.077  11.429  -1.719
  558   1HH2  ARG  72          1HH1      ARG  72  -7.954  13.341  -2.366
  559   2HH2  ARG  72          2HH1      ARG  72  -7.031  12.475  -1.164
  560    H    GLY  73           H        GLY  73  -0.012  12.100  -4.737
  561   1HA   GLY  73          1HA       GLY  73  -0.621  10.236  -2.618
  562   2HA   GLY  73          2HA       GLY  73   0.827  11.237  -2.761
  563    H    THR  74           H        THR  74  -2.025  13.181  -2.888
  564    HA   THR  74           HA       THR  74  -1.630  14.360  -0.290
  565    HB   THR  74           HB       THR  74  -3.959  15.343  -1.035
  566    HG1  THR  74           1HG      THR  74  -4.364  15.136  -3.216
  567   1HG2  THR  74          1HG2      THR  74  -2.839  16.941  -2.550
  568   2HG2  THR  74          2HG2      THR  74  -1.825  16.593  -1.141
  569   3HG2  THR  74          3HG2      THR  74  -1.450  15.842  -2.708
  570    H    VAL  75           H        VAL  75  -3.422  14.329   1.363
  571    HA   VAL  75           HA       VAL  75  -4.304  11.511   1.657
  572    HB   VAL  75           HB       VAL  75  -4.104  12.006   4.101
  573   1HG1  VAL  75          1HG1      VAL  75  -2.463  10.657   2.819
  574   2HG1  VAL  75          2HG1      VAL  75  -1.548  12.125   2.433
  575   3HG1  VAL  75          3HG1      VAL  75  -1.681  11.574   4.115
  576   1HG2  VAL  75          1HG2      VAL  75  -2.384  14.373   3.230
  577   2HG2  VAL  75          2HG2      VAL  75  -3.981  14.503   4.003
  578   3HG2  VAL  75          3HG2      VAL  75  -2.638  13.770   4.873
  579    HA   PRO  76           HA       PRO  76  -5.842  10.233   3.013
  580   1HB   PRO  76          2HB       PRO  76  -8.623  10.025   1.819
  581   2HB   PRO  76          3HB       PRO  76  -7.916   9.062   3.143
  582   1HG   PRO  76          2HG       PRO  76  -9.603  11.064   3.729
  583   2HG   PRO  76          3HG       PRO  76  -8.069  10.941   4.653
  584   1HD   PRO  76          2HD       PRO  76  -8.671  12.736   2.276
  585   2HD   PRO  76          3HD       PRO  76  -7.904  13.159   3.836
  586    H    ASN  77           H        ASN  77  -5.423   8.499   1.583
  587    HA   ASN  77           HA       ASN  77  -6.102   8.751  -1.317
  588   1HB   ASN  77          2HB       ASN  77  -3.688   9.323  -0.940
  589   2HB   ASN  77          3HB       ASN  77  -3.460   7.787  -0.119
  590   1HD2  ASN  77          2HD2      ASN  77  -2.992   9.309  -3.084
  591   2HD2  ASN  77          1HD2      ASN  77  -2.895   7.884  -4.056
  592    H    VAL  78           H        VAL  78  -6.985   6.721  -2.063
  593    HA   VAL  78           HA       VAL  78  -7.151   4.583   0.014
  594    HB   VAL  78           HB       VAL  78  -9.492   5.707  -1.573
  595   1HG1  VAL  78          1HG1      VAL  78  -9.304   3.565   0.595
  596   2HG1  VAL  78          2HG1      VAL  78 -10.825   4.316   0.094
  597   3HG1  VAL  78          3HG1      VAL  78  -9.892   3.373  -1.068
  598   1HG2  VAL  78          1HG2      VAL  78  -8.862   7.354   0.146
  599   2HG2  VAL  78          2HG2      VAL  78 -10.342   6.534   0.626
  600   3HG2  VAL  78          3HG2      VAL  78  -8.804   6.077   1.377
  601    H    PHE  79           H        PHE  79  -7.288   2.552  -0.647
  602    HA   PHE  79           HA       PHE  79  -7.140   1.818  -3.521
  603   1HB   PHE  79          2HB       PHE  79  -5.541   0.838  -1.115
  604   2HB   PHE  79          3HB       PHE  79  -5.740  -0.125  -2.560
  605    HD1  PHE  79           1HD      PHE  79  -4.054  -0.098  -4.139
  606    HD2  PHE  79           2HD      PHE  79  -4.536   3.331  -1.562
  607    HE1  PHE  79           1HE      PHE  79  -2.064   0.956  -5.163
  608    HE2  PHE  79           2HE      PHE  79  -2.511   4.343  -2.552
  609    HZ   PHE  79           HZ       PHE  79  -1.275   3.173  -4.361
  610    H    ILE  80           H        ILE  80  -8.311  -0.021  -4.017
  611    HA   ILE  80           HA       ILE  80  -9.585  -1.598  -1.888
  612    HB   ILE  80           HB       ILE  80 -11.189  -0.312  -4.147
  613   1HG1  ILE  80          2HG1      ILE  80 -11.560  -0.029  -1.138
  614   2HG1  ILE  80          3HG1      ILE  80 -10.797   1.186  -2.157
  615   1HG2  ILE  80          1HG2      ILE  80 -13.135  -1.573  -3.090
  616   2HG2  ILE  80          2HG2      ILE  80 -11.954  -2.556  -3.923
  617   3HG2  ILE  80          3HG2      ILE  80 -11.940  -2.475  -2.146
  618   1HD1  ILE  80          1HD1      ILE  80 -13.014   1.887  -1.727
  619   2HD1  ILE  80          2HD1      ILE  80 -12.916   1.440  -3.439
  620   3HD1  ILE  80          3HD1      ILE  80 -13.713   0.360  -2.275
  621    H    GLY  81           H        GLY  81  -9.768  -3.762  -2.619
  622   1HA   GLY  81          1HA       GLY  81  -9.210  -5.601  -3.866
  623   2HA   GLY  81          2HA       GLY  81  -9.704  -4.666  -5.292
  624    H    GLY  82           H        GLY  82  -7.046  -3.736  -3.111
  625   1HA   GLY  82          1HA       GLY  82  -4.786  -3.706  -3.329
  626   2HA   GLY  82          2HA       GLY  82  -4.916  -4.976  -4.554
  627    H    LYS  83           H        LYS  83  -6.720  -2.000  -5.254
  628    HA   LYS  83           HA       LYS  83  -4.441  -0.948  -6.838
  629   1HB   LYS  83          2HB       LYS  83  -5.828  -0.675  -8.808
  630   2HB   LYS  83          3HB       LYS  83  -5.630  -2.365  -8.356
  631   1HG   LYS  83          2HG       LYS  83  -7.933  -2.282  -7.294
  632   2HG   LYS  83          3HG       LYS  83  -8.099  -0.625  -7.894
  633   1HD   LYS  83          2HD       LYS  83  -9.230  -2.123  -9.411
  634   2HD   LYS  83          3HD       LYS  83  -7.798  -1.474 -10.209
  635   1HE   LYS  83          2HE       LYS  83  -8.037  -3.832 -10.739
  636   2HE   LYS  83          3HE       LYS  83  -6.572  -3.583  -9.798
  637   1HZ   LYS  83          1HZ       LYS  83  -7.725  -4.463  -7.850
  638   2HZ   LYS  83          2HZ       LYS  83  -9.135  -4.592  -8.694
  639   3HZ   LYS  83          3HZ       LYS  83  -7.856  -5.519  -9.081
  640    H    GLN  84           H        GLN  84  -4.569   1.219  -7.353
  641    HA   GLN  84           HA       GLN  84  -5.521   2.870  -5.241
  642   1HB   GLN  84          2HB       GLN  84  -3.520   3.043  -6.999
  643   2HB   GLN  84          3HB       GLN  84  -4.696   3.891  -7.988
  644   1HG   GLN  84          2HG       GLN  84  -3.734   4.642  -5.197
  645   2HG   GLN  84          3HG       GLN  84  -3.238   5.382  -6.714
  646   1HE2  GLN  84          2HE2      GLN  84  -4.817   6.237  -4.095
  647   2HE2  GLN  84          1HE2      GLN  84  -6.096   7.208  -4.759
  648    H    ILE  85           H        ILE  85  -7.447   4.043  -5.093
  649    HA   ILE  85           HA       ILE  85  -9.345   3.836  -7.402
  650    HB   ILE  85           HB       ILE  85  -9.916   4.182  -4.436
  651   1HG1  ILE  85          2HG1      ILE  85  -9.138   1.950  -4.750
  652   2HG1  ILE  85          3HG1      ILE  85 -10.873   1.924  -4.535
  653   1HG2  ILE  85          1HG2      ILE  85 -11.664   5.254  -5.735
  654   2HG2  ILE  85          2HG2      ILE  85 -11.821   3.835  -6.789
  655   3HG2  ILE  85          3HG2      ILE  85 -12.285   3.741  -5.074
  656   1HD1  ILE  85          1HD1      ILE  85  -9.362   1.507  -7.149
  657   2HD1  ILE  85          2HD1      ILE  85 -10.263   0.304  -6.225
  658   3HD1  ILE  85          3HD1      ILE  85 -11.129   1.622  -7.038
  659    H    GLY  86           H        GLY  86  -8.226   6.031  -4.736
  660   1HA   GLY  86          1HA       GLY  86  -7.911   8.369  -6.158
  661   2HA   GLY  86          2HA       GLY  86  -9.648   8.300  -5.825
  662    H    GLY  87           H        GLY  87 -10.073   9.559  -4.096
  663   1HA   GLY  87          1HA       GLY  87  -8.655   9.065  -1.540
  664   2HA   GLY  87          2HA       GLY  87  -8.720  10.714  -2.166
  665    H    CYS  88           H        CYS  88  -9.937  11.202  -0.205
  666    HA   CYS  88           HA       CYS  88 -12.244   9.941   0.680
  667   1HB   CYS  88          2HB       CYS  88 -12.753  12.220   1.724
  668   2HB   CYS  88          3HB       CYS  88 -11.187  11.503   2.115
  669    HG   CYS  88           HG       CYS  88 -11.033  14.155   1.808
  670    H    ASP  89           H        ASP  89 -12.124  12.803  -1.487
  671    HA   ASP  89           HA       ASP  89 -14.922  13.006  -1.825
  672   1HB   ASP  89          2HB       ASP  89 -13.379  14.800  -2.449
  673   2HB   ASP  89          3HB       ASP  89 -12.649  13.785  -3.697
  674    H    THR  90           H        THR  90 -12.533  11.009  -3.613
  675    HA   THR  90           HA       THR  90 -14.283  10.193  -5.684
  676    HB   THR  90           HB       THR  90 -12.102   8.437  -4.529
  677    HG1  THR  90           1HG      THR  90 -11.702  10.779  -6.080
  678   1HG2  THR  90          1HG2      THR  90 -13.370   7.586  -6.441
  679   2HG2  THR  90          2HG2      THR  90 -13.004   9.051  -7.372
  680   3HG2  THR  90          3HG2      THR  90 -11.698   7.932  -6.911
  681    H    VAL  91           H        VAL  91 -13.482   8.609  -2.485
  682    HA   VAL  91           HA       VAL  91 -15.306   6.465  -3.095
  683    HB   VAL  91           HB       VAL  91 -15.031   5.758  -0.758
  684   1HG1  VAL  91          1HG1      VAL  91 -12.394   6.415  -2.154
  685   2HG1  VAL  91          2HG1      VAL  91 -12.707   5.103  -0.998
  686   3HG1  VAL  91          3HG1      VAL  91 -13.474   5.072  -2.588
  687   1HG2  VAL  91          1HG2      VAL  91 -13.087   8.077  -0.437
  688   2HG2  VAL  91          2HG2      VAL  91 -14.674   7.974   0.352
  689   3HG2  VAL  91          3HG2      VAL  91 -13.421   6.783   0.726
  690    H    VAL  92           H        VAL  92 -15.758   9.591  -1.357
  691    HA   VAL  92           HA       VAL  92 -18.390   8.933  -0.431
  692    HB   VAL  92           HB       VAL  92 -17.004  11.571  -1.059
  693   1HG1  VAL  92          1HG1      VAL  92 -19.410  12.004  -1.271
  694   2HG1  VAL  92          2HG1      VAL  92 -19.729  11.155   0.257
  695   3HG1  VAL  92          3HG1      VAL  92 -18.816  12.681   0.246
  696   1HG2  VAL  92          1HG2      VAL  92 -17.782  10.287   1.606
  697   2HG2  VAL  92          2HG2      VAL  92 -16.158  10.215   0.905
  698   3HG2  VAL  92          3HG2      VAL  92 -16.840  11.775   1.366
  699    H    GLU  93           H        GLU  93 -17.222  10.444  -3.550
  700    HA   GLU  93           HA       GLU  93 -19.846  10.781  -4.581
  701   1HB   GLU  93          2HB       GLU  93 -17.730  11.851  -5.457
  702   2HB   GLU  93          3HB       GLU  93 -17.304  10.297  -6.201
  703   1HG   GLU  93          2HG       GLU  93 -19.519  10.366  -7.424
  704   2HG   GLU  93          3HG       GLU  93 -19.823  11.956  -6.728
  705    H    LYS  94           H        LYS  94 -17.506   8.043  -4.962
  706    HA   LYS  94           HA       LYS  94 -19.250   6.458  -6.604
  707   1HB   LYS  94          2HB       LYS  94 -16.940   5.710  -4.773
  708   2HB   LYS  94          3HB       LYS  94 -17.787   4.552  -5.818
  709   1HG   LYS  94          2HG       LYS  94 -17.176   5.843  -7.822
  710   2HG   LYS  94          3HG       LYS  94 -16.422   7.082  -6.832
  711   1HD   LYS  94          2HD       LYS  94 -14.611   5.801  -7.607
  712   2HD   LYS  94          3HD       LYS  94 -14.839   5.309  -5.935
  713   1HE   LYS  94          2HE       LYS  94 -14.455   3.305  -7.106
  714   2HE   LYS  94          3HE       LYS  94 -16.200   3.313  -6.835
  715   1HZ   LYS  94          1HZ       LYS  94 -16.487   4.065  -9.148
  716   2HZ   LYS  94          2HZ       LYS  94 -14.860   4.115  -9.366
  717   3HZ   LYS  94          3HZ       LYS  94 -15.606   2.692  -9.115
  718    H    HIS  95           H        HIS  95 -19.118   6.825  -3.017
  719    HA   HIS  95           HA       HIS  95 -20.992   4.686  -2.571
  720   1HB   HIS  95          2HB       HIS  95 -19.552   5.614  -0.794
  721   2HB   HIS  95          3HB       HIS  95 -20.407   7.152  -0.886
  722    HD1  HIS  95           1HD      HIS  95 -21.480   3.430  -0.248
  723    HD2  HIS  95           2HD      HIS  95 -22.232   7.403   0.924
  724    HE1  HIS  95           1HE      HIS  95 -23.265   3.319   1.560
  725    H    GLN  96           H        GLN  96 -21.402   8.241  -3.089
  726    HA   GLN  96           HA       GLN  96 -24.237   8.241  -2.847
  727   1HB   GLN  96          2HB       GLN  96 -22.313  10.054  -4.351
  728   2HB   GLN  96          3HB       GLN  96 -24.043  10.380  -4.219
  729   1HG   GLN  96          2HG       GLN  96 -23.934  10.517  -1.812
  730   2HG   GLN  96          3HG       GLN  96 -22.252  10.021  -1.773
  731   1HE2  GLN  96          2HE2      GLN  96 -23.592  12.556  -0.803
  732   2HE2  GLN  96          1HE2      GLN  96 -22.705  13.846  -1.572
  733    H    ARG  97           H        ARG  97 -22.120   7.623  -5.675
  734    HA   ARG  97           HA       ARG  97 -24.243   7.274  -7.598
  735   1HB   ARG  97          2HB       ARG  97 -21.365   6.271  -7.485
  736   2HB   ARG  97          3HB       ARG  97 -22.415   6.042  -8.879
  737   1HG   ARG  97          2HG       ARG  97 -22.619   8.438  -9.234
  738   2HG   ARG  97          3HG       ARG  97 -21.654   8.779  -7.792
  739   1HD   ARG  97          2HD       ARG  97 -19.735   7.534  -8.780
  740   2HD   ARG  97          3HD       ARG  97 -20.679   7.221 -10.237
  741    HE   ARG  97           HE       ARG  97 -19.326   9.693  -9.442
  742   1HH1  ARG  97          1HH2      ARG  97 -21.833   8.402 -11.631
  743   2HH1  ARG  97          2HH2      ARG  97 -21.683   9.711 -12.745
  744   1HH2  ARG  97          1HH1      ARG  97 -19.128  11.307 -10.815
  745   2HH2  ARG  97          2HH1      ARG  97 -20.082  11.457 -12.280
  746    H    ASN  98           H        ASN  98 -23.540   5.359  -4.897
  747    HA   ASN  98           HA       ASN  98 -23.761   3.240  -4.279
  748   1HB   ASN  98          2HB       ASN  98 -26.167   3.818  -4.943
  749   2HB   ASN  98          3HB       ASN  98 -25.905   2.818  -6.373
  750   1HD2  ASN  98          2HD2      ASN  98 -24.969   0.513  -5.806
  751   2HD2  ASN  98          1HD2      ASN  98 -25.716  -0.277  -4.422
  752    H    GLU  99           H        GLU  99 -21.659   3.759  -5.860
  753    HA   GLU  99           HA       GLU  99 -21.304   1.392  -7.638
  754   1HB   GLU  99          2HB       GLU  99 -21.289   3.680  -8.672
  755   2HB   GLU  99          3HB       GLU  99 -19.884   4.080  -7.675
  756   1HG   GLU  99          2HG       GLU  99 -18.623   2.210  -8.755
  757   2HG   GLU  99          3HG       GLU  99 -20.042   1.836  -9.741
  758    H    LEU 100           H        LEU 100 -20.113   3.188  -4.834
  759    HA   LEU 100           HA       LEU 100 -17.556   1.888  -4.623
  760   1HB   LEU 100          2HB       LEU 100 -18.257   3.998  -3.382
  761   2HB   LEU 100          3HB       LEU 100 -19.302   2.993  -2.376
  762    HG   LEU 100           HG       LEU 100 -17.190   1.701  -1.708
  763   1HD1  LEU 100          1HD1      LEU 100 -15.045   2.962  -1.980
  764   2HD1  LEU 100          2HD1      LEU 100 -15.670   2.330  -3.506
  765   3HD1  LEU 100          3HD1      LEU 100 -15.858   4.056  -3.114
  766   1HD2  LEU 100          1HD2      LEU 100 -18.238   3.362  -0.230
  767   2HD2  LEU 100          2HD2      LEU 100 -16.476   3.395  -0.081
  768   3HD2  LEU 100          3HD2      LEU 100 -17.307   4.657  -1.015
  769    H    LEU 101           H        LEU 101 -20.847   1.110  -3.406
  770    HA   LEU 101           HA       LEU 101 -19.957  -1.025  -1.764
  771   1HB   LEU 101          2HB       LEU 101 -22.372   0.300  -2.138
  772   2HB   LEU 101          3HB       LEU 101 -22.739  -1.327  -2.707
  773    HG   LEU 101           HG       LEU 101 -21.429  -0.713  -0.027
  774   1HD1  LEU 101          1HD1      LEU 101 -23.684   0.251  -0.143
  775   2HD1  LEU 101          2HD1      LEU 101 -24.346  -1.314  -0.667
  776   3HD1  LEU 101          3HD1      LEU 101 -23.643  -1.136   0.959
  777   1HD2  LEU 101          1HD2      LEU 101 -22.101  -3.032   0.543
  778   2HD2  LEU 101          2HD2      LEU 101 -22.708  -3.267  -1.113
  779   3HD2  LEU 101          3HD2      LEU 101 -20.977  -3.003  -0.819
  780    HA   PRO 102           HA       PRO 102 -20.904  -3.960  -5.568
  781   1HB   PRO 102          2HB       PRO 102 -20.269  -1.871  -7.669
  782   2HB   PRO 102          3HB       PRO 102 -21.231  -3.375  -7.831
  783   1HG   PRO 102          2HG       PRO 102 -22.478  -0.997  -7.510
  784   2HG   PRO 102          3HG       PRO 102 -23.044  -2.431  -6.592
  785   1HD   PRO 102          2HD       PRO 102 -21.340  -0.143  -5.628
  786   2HD   PRO 102          3HD       PRO 102 -22.665  -0.994  -4.806
  787    H    LEU 103           H        LEU 103 -18.465  -1.266  -5.869
  788    HA   LEU 103           HA       LEU 103 -16.370  -2.942  -6.848
  789   1HB   LEU 103          2HB       LEU 103 -16.304  -0.526  -7.085
  790   2HB   LEU 103          3HB       LEU 103 -16.363  -0.303  -5.339
  791    HG   LEU 103           HG       LEU 103 -14.137  -1.324  -5.090
  792   1HD1  LEU 103          1HD1      LEU 103 -12.702  -1.692  -7.086
  793   2HD1  LEU 103          2HD1      LEU 103 -14.045  -2.834  -7.028
  794   3HD1  LEU 103          3HD1      LEU 103 -14.114  -1.447  -8.139
  795   1HD2  LEU 103          1HD2      LEU 103 -14.438   1.123  -5.406
  796   2HD2  LEU 103          2HD2      LEU 103 -12.876   0.527  -5.972
  797   3HD2  LEU 103          3HD2      LEU 103 -14.152   0.908  -7.151
  798    H    LEU 104           H        LEU 104 -17.269  -1.941  -3.517
  799    HA   LEU 104           HA       LEU 104 -15.140  -3.324  -2.192
  800   1HB   LEU 104          2HB       LEU 104 -17.911  -2.427  -1.313
  801   2HB   LEU 104          3HB       LEU 104 -16.769  -3.198  -0.222
  802    HG   LEU 104           HG       LEU 104 -16.040  -0.661  -1.739
  803   1HD1  LEU 104          1HD1      LEU 104 -16.625   0.557   0.351
  804   2HD1  LEU 104          2HD1      LEU 104 -18.043  -0.184  -0.410
  805   3HD1  LEU 104          3HD1      LEU 104 -17.312  -0.938   1.015
  806   1HD2  LEU 104          1HD2      LEU 104 -14.954  -1.917   0.815
  807   2HD2  LEU 104          2HD2      LEU 104 -14.152  -1.940  -0.769
  808   3HD2  LEU 104          3HD2      LEU 104 -14.393  -0.406   0.072
  809    H    GLN 105           H        GLN 105 -18.442  -4.336  -3.170
  810    HA   GLN 105           HA       GLN 105 -18.356  -6.898  -1.925
  811   1HB   GLN 105          2HB       GLN 105 -19.858  -5.803  -4.340
  812   2HB   GLN 105          3HB       GLN 105 -20.042  -7.469  -3.811
  813   1HG   GLN 105          2HG       GLN 105 -20.528  -5.172  -1.890
  814   2HG   GLN 105          3HG       GLN 105 -21.765  -5.725  -3.016
  815   1HE2  GLN 105          2HE2      GLN 105 -19.720  -6.784  -0.247
  816   2HE2  GLN 105          1HE2      GLN 105 -20.557  -8.293   0.025
  817    H    ASP 106           H        ASP 106 -17.366  -5.820  -5.189
  818    HA   ASP 106           HA       ASP 106 -16.524  -8.394  -6.100
  819   1HB   ASP 106          2HB       ASP 106 -16.927  -6.560  -7.620
  820   2HB   ASP 106          3HB       ASP 106 -15.644  -5.599  -6.886
  821    H    ALA 107           H        ALA 107 -14.803  -5.845  -4.269
  822    HA   ALA 107           HA       ALA 107 -12.304  -7.302  -4.110
  823   1HB   ALA 107          1HB       ALA 107 -12.462  -4.846  -3.889
  824   2HB   ALA 107          2HB       ALA 107 -13.394  -5.035  -2.384
  825   3HB   ALA 107          3HB       ALA 107 -11.708  -5.579  -2.463
  826    H    ALA 108           H        ALA 108 -15.256  -8.104  -2.802
  827    HA   ALA 108           HA       ALA 108 -16.080  -9.253  -1.104
  828   1HB   ALA 108          1HB       ALA 108 -14.525 -10.994  -1.984
  829   2HB   ALA 108          2HB       ALA 108 -13.316 -10.482  -0.788
  830   3HB   ALA 108          3HB       ALA 108 -14.861 -11.165  -0.252
  831    H    ALA 109           H        ALA 109 -14.879  -6.593  -0.531
  832    HA   ALA 109           HA       ALA 109 -13.620  -6.714   2.088
  833   1HB   ALA 109          1HB       ALA 109 -14.788  -4.381   0.502
  834   2HB   ALA 109          2HB       ALA 109 -13.751  -4.260   1.936
  835   3HB   ALA 109          3HB       ALA 109 -13.107  -4.942   0.423
  836    H    THR 110           H        THR 110 -16.928  -6.005   0.831
  837    HA   THR 110           HA       THR 110 -17.856  -5.056   3.389
  838    HB   THR 110           HB       THR 110 -20.095  -5.257   1.869
  839    HG1  THR 110           1HG      THR 110 -19.210  -4.517  -0.260
  840   1HG2  THR 110          1HG2      THR 110 -17.869  -3.181   1.696
  841   2HG2  THR 110          2HG2      THR 110 -19.554  -2.909   1.192
  842   3HG2  THR 110          3HG2      THR 110 -19.168  -3.220   2.888
  843    H    ALA 111           H        ALA 111 -17.677  -6.500   4.920
  844    HA   ALA 111           HA       ALA 111 -17.995  -9.271   4.686
  845   1HB   ALA 111          1HB       ALA 111 -17.859  -9.243   7.149
  846   2HB   ALA 111          2HB       ALA 111 -16.688  -8.117   6.438
  847   3HB   ALA 111          3HB       ALA 111 -18.191  -7.497   7.161
  848    H    LYS 112           H        LYS 112 -20.541  -6.922   4.879
  849    HA   LYS 112           HA       LYS 112 -22.586  -8.506   6.060
  850   1HB   LYS 112          2HB       LYS 112 -24.160  -7.089   4.914
  851   2HB   LYS 112          3HB       LYS 112 -22.856  -6.124   5.604
  852   1HG   LYS 112          2HG       LYS 112 -21.780  -6.030   3.323
  853   2HG   LYS 112          3HG       LYS 112 -23.177  -6.874   2.654
  854   1HD   LYS 112          2HD       LYS 112 -23.212  -4.192   4.092
  855   2HD   LYS 112          3HD       LYS 112 -23.270  -4.397   2.347
  856   1HE   LYS 112          2HE       LYS 112 -25.394  -5.376   4.317
  857   2HE   LYS 112          3HE       LYS 112 -25.477  -3.880   3.394
  858   1HZ   LYS 112          1HZ       LYS 112 -25.487  -5.193   1.353
  859   2HZ   LYS 112          2HZ       LYS 112 -25.448  -6.594   2.203
  860   3HZ   LYS 112          3HZ       LYS 112 -26.732  -5.603   2.315
  861    H    ASN 113           H        ASN 113 -21.001  -8.775   2.927
  862    HA   ASN 113           HA       ASN 113 -22.256 -11.377   2.521
  863   1HB   ASN 113          2HB       ASN 113 -23.921 -10.129   1.321
  864   2HB   ASN 113          3HB       ASN 113 -22.700  -9.108   0.559
  865   1HD2  ASN 113          2HD2      ASN 113 -22.718  -9.623  -1.603
  866   2HD2  ASN 113          1HD2      ASN 113 -22.561 -11.236  -2.254
  867    HA   PRO 114           HA       PRO 114 -17.809 -10.852   1.445
  868   1HB   PRO 114          2HB       PRO 114 -16.837 -13.239   2.360
  869   2HB   PRO 114          3HB       PRO 114 -17.212 -11.860   3.439
  870   1HG   PRO 114          2HG       PRO 114 -18.955 -14.266   2.818
  871   2HG   PRO 114          3HG       PRO 114 -18.558 -13.571   4.422
  872   1HD   PRO 114          2HD       PRO 114 -20.875 -12.980   3.104
  873   2HD   PRO 114          3HD       PRO 114 -20.032 -11.763   4.105
  874    H    ALA 115           H        ALA 115 -20.187 -13.197   0.422
  875    HA   ALA 115           HA       ALA 115 -18.561 -14.722  -1.362
  876   1HB   ALA 115          1HB       ALA 115 -20.697 -15.503  -0.340
  877   2HB   ALA 115          2HB       ALA 115 -21.583 -14.333  -1.351
  878   3HB   ALA 115          3HB       ALA 115 -20.686 -15.663  -2.103
  879    H    GLN 116           H        GLN 116 -19.083 -11.536  -1.676
  880    HA   GLN 116           HA       GLN 116 -18.996 -10.010  -3.282
  881   1HB   GLN 116          2HB       GLN 116 -18.316 -12.133  -5.338
  882   2HB   GLN 116          3HB       GLN 116 -18.002 -10.408  -5.391
  883   1HG   GLN 116          2HG       GLN 116 -15.942 -10.922  -4.689
  884   2HG   GLN 116          3HG       GLN 116 -16.655 -11.017  -3.091
  885   1HE2  GLN 116          2HE2      GLN 116 -16.386 -13.018  -1.988
  886   2HE2  GLN 116          1HE2      GLN 116 -15.824 -14.474  -2.781
  887    H    LEU 117           H        LEU 117 -19.876  -9.658  -5.805
  888    HA   LEU 117           HA       LEU 117 -22.738 -10.388  -5.786
  889   1HB   LEU 117          2HB       LEU 117 -22.465  -8.358  -4.374
  890   2HB   LEU 117          3HB       LEU 117 -21.585  -7.567  -5.690
  891    HG   LEU 117           HG       LEU 117 -23.615  -7.614  -7.103
  892   1HD1  LEU 117          1HD1      LEU 117 -24.781  -9.590  -6.223
  893   2HD1  LEU 117          2HD1      LEU 117 -24.946  -8.819  -4.629
  894   3HD1  LEU 117          3HD1      LEU 117 -25.812  -8.171  -6.040
  895   1HD2  LEU 117          1HD2      LEU 117 -24.859  -5.915  -5.815
  896   2HD2  LEU 117          2HD2      LEU 117 -24.021  -6.413  -4.327
  897   3HD2  LEU 117          3HD2      LEU 117 -23.113  -5.674  -5.663
  Start of MODEL    5
    1   1H    MET   1           H1       MET   1  13.661  15.644  -2.052
    2   2H    MET   1           H2       MET   1  12.204  16.287  -1.641
    3   3H    MET   1           H3       MET   1  13.148  15.574  -0.505
    4    HA   MET   1           HA       MET   1  11.354  14.133  -1.067
    5   1HB   MET   1          2HB       MET   1  11.179  15.088  -3.429
    6   2HB   MET   1          3HB       MET   1  12.522  14.032  -3.885
    7   1HG   MET   1          2HG       MET   1  11.172  12.053  -3.309
    8   2HG   MET   1          3HG       MET   1   9.888  13.094  -2.672
    9   1HE   MET   1          1HE       MET   1   7.993  11.966  -4.023
   10   2HE   MET   1          2HE       MET   1   8.079  11.621  -5.762
   11   3HE   MET   1          3HE       MET   1   9.172  10.783  -4.639
   12    H    ALA   2           H        ALA   2  11.679  11.782  -1.028
   13    HA   ALA   2           HA       ALA   2  14.049  10.908   0.163
   14   1HB   ALA   2          1HB       ALA   2  11.963   9.317  -1.400
   15   2HB   ALA   2          2HB       ALA   2  13.155   8.632  -0.283
   16   3HB   ALA   2          3HB       ALA   2  11.895   9.722   0.328
   17    H    SER   3           H        SER   3  15.932   9.937  -0.550
   18    HA   SER   3           HA       SER   3  16.903  10.216  -3.208
   19   1HB   SER   3          2HB       SER   3  17.768   8.236  -1.054
   20   2HB   SER   3          3HB       SER   3  18.746   8.839  -2.407
   21    HG   SER   3           HG       SER   3  19.197   9.931  -0.434
   22    H    LYS   4           H        LYS   4  17.148   8.578  -4.865
   23    HA   LYS   4           HA       LYS   4  14.801   7.268  -5.387
   24   1HB   LYS   4          2HB       LYS   4  15.878   6.208  -7.276
   25   2HB   LYS   4          3HB       LYS   4  16.385   7.885  -7.106
   26   1HG   LYS   4          2HG       LYS   4  18.534   7.101  -6.060
   27   2HG   LYS   4          3HG       LYS   4  18.017   5.423  -6.325
   28   1HD   LYS   4          2HD       LYS   4  17.899   5.838  -8.764
   29   2HD   LYS   4          3HD       LYS   4  18.423   7.518  -8.503
   30   1HE   LYS   4          2HE       LYS   4  20.536   6.693  -7.483
   31   2HE   LYS   4          3HE       LYS   4  20.015   5.024  -7.744
   32   1HZ   LYS   4          1HZ       LYS   4  21.504   5.769  -9.487
   33   2HZ   LYS   4          2HZ       LYS   4  20.042   5.460 -10.133
   34   3HZ   LYS   4          3HZ       LYS   4  20.523   7.004  -9.891
   35    H    GLN   5           H        GLN   5  17.601   5.704  -3.775
   36    HA   GLN   5           HA       GLN   5  16.493   3.067  -3.958
   37   1HB   GLN   5          2HB       GLN   5  18.873   3.591  -3.540
   38   2HB   GLN   5          3HB       GLN   5  18.484   4.208  -1.935
   39   1HG   GLN   5          2HG       GLN   5  17.634   1.387  -2.642
   40   2HG   GLN   5          3HG       GLN   5  19.343   1.704  -2.409
   41   1HE2  GLN   5          2HE2      GLN   5  16.176   1.721  -0.734
   42   2HE2  GLN   5          1HE2      GLN   5  16.866   1.662   0.877
   43    H    GLU   6           H        GLU   6  16.153   5.692  -1.520
   44    HA   GLU   6           HA       GLU   6  14.666   3.979   0.322
   45   1HB   GLU   6          2HB       GLU   6  15.125   6.994   0.247
   46   2HB   GLU   6          3HB       GLU   6  14.214   6.134   1.499
   47   1HG   GLU   6          2HG       GLU   6  16.263   4.703   1.914
   48   2HG   GLU   6          3HG       GLU   6  17.159   5.758   0.821
   49    H    LEU   7           H        LEU   7  13.909   6.344  -2.251
   50    HA   LEU   7           HA       LEU   7  11.101   6.422  -1.833
   51   1HB   LEU   7          2HB       LEU   7  12.436   7.974  -3.309
   52   2HB   LEU   7          3HB       LEU   7  12.663   6.645  -4.442
   53    HG   LEU   7           HG       LEU   7  10.187   6.521  -4.786
   54   1HD1  LEU   7          1HD1      LEU   7   9.360   7.461  -2.667
   55   2HD1  LEU   7          2HD1      LEU   7  10.141   9.018  -3.024
   56   3HD1  LEU   7          3HD1      LEU   7   8.791   8.443  -4.020
   57   1HD2  LEU   7          1HD2      LEU   7  10.020   8.578  -6.119
   58   2HD2  LEU   7          2HD2      LEU   7  11.414   9.271  -5.258
   59   3HD2  LEU   7          3HD2      LEU   7  11.619   7.843  -6.294
   60    H    ASP   8           H        ASP   8  13.170   4.216  -3.798
   61    HA   ASP   8           HA       ASP   8  11.046   2.621  -4.840
   62   1HB   ASP   8          2HB       ASP   8  13.258   2.565  -5.829
   63   2HB   ASP   8          3HB       ASP   8  13.988   2.044  -4.310
   64    H    ALA   9           H        ALA   9  13.091   2.214  -1.870
   65    HA   ALA   9           HA       ALA   9  11.832  -0.214  -1.063
   66   1HB   ALA   9          1HB       ALA   9  12.763   0.308   1.173
   67   2HB   ALA   9          2HB       ALA   9  13.966   0.592  -0.099
   68   3HB   ALA   9          3HB       ALA   9  13.121   1.967   0.652
   69    H    ALA  10           H        ALA  10  11.038   3.213  -0.324
   70    HA   ALA  10           HA       ALA  10   8.819   2.667   1.368
   71   1HB   ALA  10          1HB       ALA  10   9.914   4.837   1.359
   72   2HB   ALA  10          2HB       ALA  10   9.521   5.084  -0.352
   73   3HB   ALA  10          3HB       ALA  10   8.230   5.043   0.860
   74    H    LEU  11           H        LEU  11   9.029   3.050  -2.220
   75    HA   LEU  11           HA       LEU  11   6.239   2.827  -2.768
   76   1HB   LEU  11          2HB       LEU  11   7.806   3.488  -4.511
   77   2HB   LEU  11          3HB       LEU  11   8.714   2.000  -4.325
   78    HG   LEU  11           HG       LEU  11   6.678   0.699  -5.129
   79   1HD1  LEU  11          1HD1      LEU  11   5.718   3.493  -5.844
   80   2HD1  LEU  11          2HD1      LEU  11   4.983   1.982  -6.405
   81   3HD1  LEU  11          3HD1      LEU  11   4.941   2.387  -4.685
   82   1HD2  LEU  11          1HD2      LEU  11   7.094   1.244  -7.485
   83   2HD2  LEU  11          2HD2      LEU  11   7.956   2.718  -6.991
   84   3HD2  LEU  11          3HD2      LEU  11   8.587   1.118  -6.541
   85    H    LYS  12           H        LYS  12   8.766   0.253  -2.533
   86    HA   LYS  12           HA       LYS  12   6.890  -1.857  -2.963
   87   1HB   LYS  12          2HB       LYS  12   9.691  -1.610  -1.905
   88   2HB   LYS  12          3HB       LYS  12   8.846  -3.148  -1.664
   89   1HG   LYS  12          2HG       LYS  12   8.883  -3.711  -3.867
   90   2HG   LYS  12          3HG       LYS  12   8.578  -2.070  -4.422
   91   1HD   LYS  12          2HD       LYS  12  10.740  -2.901  -5.186
   92   2HD   LYS  12          3HD       LYS  12  10.865  -1.438  -4.211
   93   1HE   LYS  12          2HE       LYS  12  11.581  -2.765  -2.258
   94   2HE   LYS  12          3HE       LYS  12  11.425  -4.260  -3.195
   95   1HZ   LYS  12          1HZ       LYS  12  13.226  -2.028  -3.961
   96   2HZ   LYS  12          2HZ       LYS  12  13.719  -3.338  -3.089
   97   3HZ   LYS  12          3HZ       LYS  12  13.186  -3.526  -4.619
   98    H    LYS  13           H        LYS  13   7.986  -0.324   0.110
   99    HA   LYS  13           HA       LYS  13   6.403  -1.997   1.773
  100   1HB   LYS  13          2HB       LYS  13   8.189  -0.452   2.577
  101   2HB   LYS  13          3HB       LYS  13   7.177   0.929   2.166
  102   1HG   LYS  13          2HG       LYS  13   7.096   0.502   4.551
  103   2HG   LYS  13          3HG       LYS  13   5.503   0.224   3.850
  104   1HD   LYS  13          2HD       LYS  13   5.841  -2.212   3.936
  105   2HD   LYS  13          3HD       LYS  13   7.513  -1.976   4.502
  106   1HE   LYS  13          2HE       LYS  13   6.630  -0.810   6.528
  107   2HE   LYS  13          3HE       LYS  13   4.978  -1.101   5.966
  108   1HZ   LYS  13          1HZ       LYS  13   6.943  -3.211   6.664
  109   2HZ   LYS  13          2HZ       LYS  13   5.675  -2.761   7.577
  110   3HZ   LYS  13          3HZ       LYS  13   5.418  -3.491   6.143
  111    H    ALA  14           H        ALA  14   5.537   1.103   0.095
  112    HA   ALA  14           HA       ALA  14   2.887   1.219   1.054
  113   1HB   ALA  14          1HB       ALA  14   2.431   2.682  -0.827
  114   2HB   ALA  14          2HB       ALA  14   4.020   3.080  -0.143
  115   3HB   ALA  14          3HB       ALA  14   3.904   2.162  -1.660
  116    H    LYS  15           H        LYS  15   4.195  -0.524  -1.848
  117    HA   LYS  15           HA       LYS  15   1.671  -1.457  -2.770
  118   1HB   LYS  15          2HB       LYS  15   4.476  -2.614  -3.035
  119   2HB   LYS  15          3HB       LYS  15   3.053  -3.355  -3.775
  120   1HG   LYS  15          2HG       LYS  15   2.581  -1.344  -5.058
  121   2HG   LYS  15          3HG       LYS  15   3.952  -0.494  -4.326
  122   1HD   LYS  15          2HD       LYS  15   5.516  -2.120  -5.327
  123   2HD   LYS  15          3HD       LYS  15   4.149  -3.048  -5.987
  124   1HE   LYS  15          2HE       LYS  15   3.446  -1.031  -7.293
  125   2HE   LYS  15          3HE       LYS  15   4.866  -0.167  -6.694
  126   1HZ   LYS  15          1HZ       LYS  15   5.257  -1.117  -8.886
  127   2HZ   LYS  15          2HZ       LYS  15   6.253  -1.838  -7.816
  128   3HZ   LYS  15          3HZ       LYS  15   4.927  -2.620  -8.364
  129    H    GLU  16           H        GLU  16   3.965  -2.967  -0.424
  130    HA   GLU  16           HA       GLU  16   2.353  -5.282   0.019
  131   1HB   GLU  16          2HB       GLU  16   4.383  -3.835   1.773
  132   2HB   GLU  16          3HB       GLU  16   3.611  -5.344   2.250
  133   1HG   GLU  16          2HG       GLU  16   5.276  -4.999  -0.284
  134   2HG   GLU  16          3HG       GLU  16   5.887  -5.620   1.243
  135    H    LEU  17           H        LEU  17   2.447  -2.121   1.749
  136    HA   LEU  17           HA       LEU  17   0.435  -2.724   3.652
  137   1HB   LEU  17          2HB       LEU  17   1.365  -0.133   2.373
  138   2HB   LEU  17          3HB       LEU  17   0.106  -0.150   3.600
  139    HG   LEU  17           HG       LEU  17   2.851  -1.377   4.096
  140   1HD1  LEU  17          1HD1      LEU  17   3.161   0.991   3.534
  141   2HD1  LEU  17          2HD1      LEU  17   1.901   1.452   4.695
  142   3HD1  LEU  17          3HD1      LEU  17   3.420   0.737   5.266
  143   1HD2  LEU  17          1HD2      LEU  17   2.244  -1.043   6.473
  144   2HD2  LEU  17          2HD2      LEU  17   0.659  -0.411   5.987
  145   3HD2  LEU  17          3HD2      LEU  17   1.094  -2.107   5.663
  146    H    ALA  18           H        ALA  18   0.139  -1.271   0.390
  147    HA   ALA  18           HA       ALA  18  -2.658  -0.890   0.369
  148   1HB   ALA  18          1HB       ALA  18  -2.372  -0.723  -2.070
  149   2HB   ALA  18          2HB       ALA  18  -1.085   0.162  -1.230
  150   3HB   ALA  18          3HB       ALA  18  -0.752  -1.434  -1.941
  151    H    SER  19           H        SER  19  -0.870  -3.850   0.253
  152    HA   SER  19           HA       SER  19  -3.152  -5.341  -0.949
  153   1HB   SER  19          2HB       SER  19  -0.257  -6.204  -0.595
  154   2HB   SER  19          3HB       SER  19  -1.520  -7.018  -1.535
  155    HG   SER  19           HG       SER  19  -0.175  -4.577  -2.037
  156    H    SER  20           H        SER  20  -1.945  -4.513   2.085
  157    HA   SER  20           HA       SER  20  -1.968  -7.116   3.347
  158   1HB   SER  20          2HB       SER  20  -1.961  -4.282   4.449
  159   2HB   SER  20          3HB       SER  20  -1.744  -5.744   5.423
  160    HG   SER  20           HG       SER  20  -0.092  -5.104   3.184
  161    H    ALA  21           H        ALA  21  -4.541  -5.010   2.395
  162    HA   ALA  21           HA       ALA  21  -6.489  -6.716   3.738
  163   1HB   ALA  21          1HB       ALA  21  -6.175  -4.947   5.428
  164   2HB   ALA  21          2HB       ALA  21  -6.372  -3.691   4.183
  165   3HB   ALA  21          3HB       ALA  21  -7.742  -4.707   4.637
  166    HA   PRO  22           HA       PRO  22  -8.447  -5.897  -0.151
  167   1HB   PRO  22          2HB       PRO  22 -11.145  -5.946   0.357
  168   2HB   PRO  22          3HB       PRO  22 -10.099  -7.395   0.410
  169   1HG   PRO  22          2HG       PRO  22 -10.948  -5.641   2.740
  170   2HG   PRO  22          3HG       PRO  22 -11.051  -7.430   2.611
  171   1HD   PRO  22          2HD       PRO  22  -8.991  -6.257   3.880
  172   2HD   PRO  22          3HD       PRO  22  -8.693  -7.657   2.814
  173    H    VAL  23           H        VAL  23  -8.849  -3.572   2.417
  174    HA   VAL  23           HA       VAL  23  -9.192  -1.454   0.422
  175    HB   VAL  23           HB       VAL  23 -10.826  -1.632   2.981
  176   1HG1  VAL  23          1HG1      VAL  23 -10.648   0.552   0.876
  177   2HG1  VAL  23          2HG1      VAL  23 -11.940   0.452   2.087
  178   3HG1  VAL  23          3HG1      VAL  23 -10.266   0.674   2.599
  179   1HG2  VAL  23          1HG2      VAL  23 -11.833  -3.099   1.355
  180   2HG2  VAL  23          2HG2      VAL  23 -12.830  -1.669   1.580
  181   3HG2  VAL  23          3HG2      VAL  23 -11.812  -1.822   0.126
  182    H    VAL  24           H        VAL  24  -7.819   0.271   0.988
  183    HA   VAL  24           HA       VAL  24  -6.563   0.220   3.668
  184    HB   VAL  24           HB       VAL  24  -4.943   0.322   1.094
  185   1HG1  VAL  24          1HG1      VAL  24  -3.005   0.058   2.626
  186   2HG1  VAL  24          2HG1      VAL  24  -3.883   1.548   2.948
  187   3HG1  VAL  24          3HG1      VAL  24  -4.096   0.145   4.023
  188   1HG2  VAL  24          1HG2      VAL  24  -5.300  -1.977   3.060
  189   2HG2  VAL  24          2HG2      VAL  24  -5.760  -1.968   1.341
  190   3HG2  VAL  24          3HG2      VAL  24  -4.071  -1.917   1.796
  191    H    VAL  25           H        VAL  25  -6.179   2.230   4.443
  192    HA   VAL  25           HA       VAL  25  -6.733   4.588   2.707
  193    HB   VAL  25           HB       VAL  25  -7.469   4.205   5.640
  194   1HG1  VAL  25          1HG1      VAL  25  -7.149   6.550   4.939
  195   2HG1  VAL  25          2HG1      VAL  25  -8.286   6.319   3.601
  196   3HG1  VAL  25          3HG1      VAL  25  -8.852   6.216   5.283
  197   1HG2  VAL  25          1HG2      VAL  25  -9.824   4.025   4.895
  198   2HG2  VAL  25          2HG2      VAL  25  -9.271   3.876   3.212
  199   3HG2  VAL  25          3HG2      VAL  25  -8.852   2.641   4.415
  200    H    PHE  26           H        PHE  26  -4.571   5.126   2.307
  201    HA   PHE  26           HA       PHE  26  -2.632   5.397   4.511
  202   1HB   PHE  26          2HB       PHE  26  -2.665   6.428   1.660
  203   2HB   PHE  26          3HB       PHE  26  -1.317   6.612   2.775
  204    HD1  PHE  26           1HD      PHE  26   0.050   4.641   3.446
  205    HD2  PHE  26           2HD      PHE  26  -3.134   4.290   0.559
  206    HE1  PHE  26           1HE      PHE  26   0.945   2.446   2.719
  207    HE2  PHE  26           2HE      PHE  26  -2.244   2.086  -0.149
  208    HZ   PHE  26           HZ       PHE  26  -0.205   1.166   0.925
  209    H    SER  27           H        SER  27  -2.465   7.266   5.772
  210    HA   SER  27           HA       SER  27  -3.968   9.695   5.075
  211   1HB   SER  27          2HB       SER  27  -5.356   9.357   7.183
  212   2HB   SER  27          3HB       SER  27  -5.758   8.321   5.811
  213    HG   SER  27           HG       SER  27  -4.767   6.618   6.783
  214    H    LYS  28           H        LYS  28  -4.147  10.735   7.695
  215    HA   LYS  28           HA       LYS  28  -1.562  10.389   9.010
  216   1HB   LYS  28          2HB       LYS  28  -2.585  13.110   8.061
  217   2HB   LYS  28          3HB       LYS  28  -1.390  12.905   9.350
  218   1HG   LYS  28          2HG       LYS  28   0.073  11.622   7.774
  219   2HG   LYS  28          3HG       LYS  28  -1.078  11.966   6.472
  220   1HD   LYS  28          2HD       LYS  28  -0.701  14.392   6.767
  221   2HD   LYS  28          3HD       LYS  28   0.472  14.046   8.067
  222   1HE   LYS  28          2HE       LYS  28   1.799  12.666   6.438
  223   2HE   LYS  28          3HE       LYS  28   0.651  13.098   5.167
  224   1HZ   LYS  28          1HZ       LYS  28   1.305  15.441   5.524
  225   2HZ   LYS  28          2HZ       LYS  28   2.451  14.965   6.595
  226   3HZ   LYS  28          3HZ       LYS  28   2.540  14.484   5.028
  227    H    THR  29           H        THR  29  -1.729  11.399  11.257
  228    HA   THR  29           HA       THR  29  -3.854  10.058  12.509
  229    HB   THR  29           HB       THR  29  -2.871  11.382  14.534
  230    HG1  THR  29           1HG      THR  29  -0.922  12.423  14.046
  231   1HG2  THR  29          1HG2      THR  29  -0.817  10.032  14.543
  232   2HG2  THR  29          2HG2      THR  29  -2.175   9.068  13.944
  233   3HG2  THR  29          3HG2      THR  29  -0.975   9.713  12.804
  234    H    TYR  30           H        TYR  30  -3.367  13.532  11.894
  235    HA   TYR  30           HA       TYR  30  -5.766  14.316  13.330
  236   1HB   TYR  30          2HB       TYR  30  -5.055  16.579  12.655
  237   2HB   TYR  30          3HB       TYR  30  -3.760  15.669  13.404
  238    HD1  TYR  30           1HD      TYR  30  -1.734  15.066  12.167
  239    HD2  TYR  30           2HD      TYR  30  -5.032  17.031  10.184
  240    HE1  TYR  30           1HE      TYR  30  -0.289  15.520  10.209
  241    HE2  TYR  30           2HE      TYR  30  -3.601  17.475   8.224
  242    HH   TYR  30           HH       TYR  30  -1.468  17.291   7.307
  243    H    CYS  31           H        CYS  31  -5.513  12.884  10.321
  244    HA   CYS  31           HA       CYS  31  -6.780  14.778   8.633
  245   1HB   CYS  31          2HB       CYS  31  -5.227  12.933   7.976
  246   2HB   CYS  31          3HB       CYS  31  -6.525  11.775   8.294
  247    H    GLY  32           H        GLY  32  -8.737  15.526   9.193
  248   1HA   GLY  32          1HA       GLY  32 -10.944  13.978  10.194
  249   2HA   GLY  32          2HA       GLY  32 -11.013  15.591   9.457
  250    H    TYR  33           H        TYR  33  -9.607  14.464   6.946
  251    HA   TYR  33           HA       TYR  33 -12.032  13.519   5.608
  252   1HB   TYR  33          2HB       TYR  33  -9.214  14.059   4.642
  253   2HB   TYR  33          3HB       TYR  33 -10.480  13.371   3.633
  254    HD1  TYR  33           1HD      TYR  33  -9.029  16.427   4.828
  255    HD2  TYR  33           2HD      TYR  33 -12.734  14.688   3.450
  256    HE1  TYR  33           1HE      TYR  33  -9.901  18.688   4.339
  257    HE2  TYR  33           2HE      TYR  33 -13.616  16.947   2.959
  258    HH   TYR  33           HH       TYR  33 -11.701  19.938   3.542
  259    H    CYS  34           H        CYS  34  -8.897  12.087   6.760
  260    HA   CYS  34           HA       CYS  34  -9.514   9.453   5.864
  261   1HB   CYS  34          2HB       CYS  34  -7.327  10.101   6.817
  262   2HB   CYS  34          3HB       CYS  34  -8.071  10.250   8.427
  263    HG   CYS  34           HG       CYS  34  -6.656   7.925   8.047
  264    H    ASN  35           H        ASN  35 -10.389  11.152   8.969
  265    HA   ASN  35           HA       ASN  35 -11.916   9.036  10.024
  266   1HB   ASN  35          2HB       ASN  35 -11.502  11.029  11.358
  267   2HB   ASN  35          3HB       ASN  35 -12.472  12.013  10.256
  268   1HD2  ASN  35          2HD2      ASN  35 -14.446  12.488  11.225
  269   2HD2  ASN  35          1HD2      ASN  35 -15.397  11.347  12.132
  270    H    ARG  36           H        ARG  36 -13.052  11.582   7.704
  271    HA   ARG  36           HA       ARG  36 -15.705  10.593   7.498
  272   1HB   ARG  36          2HB       ARG  36 -13.938  12.094   5.534
  273   2HB   ARG  36          3HB       ARG  36 -15.614  11.682   5.165
  274   1HG   ARG  36          2HG       ARG  36 -16.496  13.019   6.891
  275   2HG   ARG  36          3HG       ARG  36 -14.959  13.119   7.753
  276   1HD   ARG  36          2HD       ARG  36 -14.001  14.530   5.969
  277   2HD   ARG  36          3HD       ARG  36 -15.487  14.368   5.027
  278    HE   ARG  36           HE       ARG  36 -16.449  16.006   6.252
  279   1HH1  ARG  36          1HH2      ARG  36 -13.730  14.782   8.219
  280   2HH1  ARG  36          2HH2      ARG  36 -13.870  16.042   9.400
  281   1HH2  ARG  36          1HH1      ARG  36 -16.608  17.648   7.831
  282   2HH2  ARG  36          2HH1      ARG  36 -15.532  17.693   9.174
  283    H    VAL  37           H        VAL  37 -12.807   9.585   5.565
  284    HA   VAL  37           HA       VAL  37 -14.217   7.666   3.985
  285    HB   VAL  37           HB       VAL  37 -11.309   7.876   4.875
  286   1HG1  VAL  37          1HG1      VAL  37 -12.466   5.925   2.837
  287   2HG1  VAL  37          2HG1      VAL  37 -10.740   6.229   3.160
  288   3HG1  VAL  37          3HG1      VAL  37 -11.736   5.494   4.398
  289   1HG2  VAL  37          1HG2      VAL  37 -12.108   9.634   3.340
  290   2HG2  VAL  37          2HG2      VAL  37 -10.985   8.546   2.505
  291   3HG2  VAL  37          3HG2      VAL  37 -12.736   8.398   2.236
  292    H    LYS  38           H        LYS  38 -12.435   7.251   7.092
  293    HA   LYS  38           HA       LYS  38 -12.976   4.519   7.456
  294   1HB   LYS  38          2HB       LYS  38 -12.694   6.734   9.528
  295   2HB   LYS  38          3HB       LYS  38 -12.742   5.014   9.907
  296   1HG   LYS  38          2HG       LYS  38 -10.686   4.601   8.649
  297   2HG   LYS  38          3HG       LYS  38 -10.648   6.249   8.047
  298   1HD   LYS  38          2HD       LYS  38  -9.060   6.020   9.853
  299   2HD   LYS  38          3HD       LYS  38 -10.353   7.120  10.340
  300   1HE   LYS  38          2HE       LYS  38 -11.435   5.270  11.622
  301   2HE   LYS  38          3HE       LYS  38 -10.153   4.167  11.114
  302   1HZ   LYS  38          1HZ       LYS  38  -9.749   5.040  13.324
  303   2HZ   LYS  38          2HZ       LYS  38  -8.571   5.565  12.331
  304   3HZ   LYS  38          3HZ       LYS  38  -9.766   6.579  12.797
  305    H    GLN  39           H        GLN  39 -15.074   7.323   8.480
  306    HA   GLN  39           HA       GLN  39 -17.078   5.583   9.576
  307   1HB   GLN  39          2HB       GLN  39 -17.411   8.397   8.453
  308   2HB   GLN  39          3HB       GLN  39 -18.591   7.521   9.425
  309   1HG   GLN  39          2HG       GLN  39 -15.968   8.719  10.307
  310   2HG   GLN  39          3HG       GLN  39 -17.572   9.071  10.885
  311   1HE2  GLN  39          2HE2      GLN  39 -14.913   8.056  12.160
  312   2HE2  GLN  39          1HE2      GLN  39 -15.439   6.706  13.149
  313    H    LEU  40           H        LEU  40 -16.636   6.919   6.253
  314    HA   LEU  40           HA       LEU  40 -19.108   6.059   5.180
  315   1HB   LEU  40          2HB       LEU  40 -17.319   7.568   4.126
  316   2HB   LEU  40          3HB       LEU  40 -16.414   6.110   3.761
  317    HG   LEU  40           HG       LEU  40 -18.495   5.328   2.414
  318   1HD1  LEU  40          1HD1      LEU  40 -19.894   7.226   1.567
  319   2HD1  LEU  40          2HD1      LEU  40 -20.172   6.884   3.280
  320   3HD1  LEU  40          3HD1      LEU  40 -19.182   8.280   2.797
  321   1HD2  LEU  40          1HD2      LEU  40 -17.819   6.660   0.477
  322   2HD2  LEU  40          2HD2      LEU  40 -16.914   7.765   1.539
  323   3HD2  LEU  40          3HD2      LEU  40 -16.421   6.066   1.380
  324    H    LEU  41           H        LEU  41 -15.937   4.400   5.312
  325    HA   LEU  41           HA       LEU  41 -16.769   1.955   4.100
  326   1HB   LEU  41          2HB       LEU  41 -14.467   2.653   5.963
  327   2HB   LEU  41          3HB       LEU  41 -14.645   1.085   5.187
  328    HG   LEU  41           HG       LEU  41 -14.386   3.708   3.654
  329   1HD1  LEU  41          1HD1      LEU  41 -12.354   3.180   4.946
  330   2HD1  LEU  41          2HD1      LEU  41 -12.312   1.559   4.234
  331   3HD1  LEU  41          3HD1      LEU  41 -12.079   2.992   3.206
  332   1HD2  LEU  41          1HD2      LEU  41 -15.540   2.026   2.314
  333   2HD2  LEU  41          2HD2      LEU  41 -13.890   2.207   1.725
  334   3HD2  LEU  41          3HD2      LEU  41 -14.320   0.803   2.729
  335    H    THR  42           H        THR  42 -16.568   2.959   7.538
  336    HA   THR  42           HA       THR  42 -17.244   0.439   8.655
  337    HB   THR  42           HB       THR  42 -17.777   3.258   9.693
  338    HG1  THR  42           1HG      THR  42 -15.654   3.014   9.362
  339   1HG2  THR  42          1HG2      THR  42 -19.070   1.647  11.003
  340   2HG2  THR  42          2HG2      THR  42 -17.637   0.606  11.190
  341   3HG2  THR  42          3HG2      THR  42 -17.684   2.219  11.943
  342    H    GLN  43           H        GLN  43 -19.341   3.159   7.515
  343    HA   GLN  43           HA       GLN  43 -21.740   2.022   8.549
  344   1HB   GLN  43          2HB       GLN  43 -21.162   4.074   6.386
  345   2HB   GLN  43          3HB       GLN  43 -22.814   3.577   6.762
  346   1HG   GLN  43          2HG       GLN  43 -22.674   4.343   9.027
  347   2HG   GLN  43          3HG       GLN  43 -20.931   4.580   8.932
  348   1HE2  GLN  43          2HE2      GLN  43 -20.117   6.237   7.436
  349   2HE2  GLN  43          1HE2      GLN  43 -21.083   7.680   7.127
  350    H    VAL  44           H        VAL  44 -20.129   1.622   5.348
  351    HA   VAL  44           HA       VAL  44 -22.304  -0.082   4.404
  352    HB   VAL  44           HB       VAL  44 -20.957  -0.395   2.406
  353   1HG1  VAL  44          1HG1      VAL  44 -20.941   1.927   1.634
  354   2HG1  VAL  44          2HG1      VAL  44 -22.378   1.614   2.629
  355   3HG1  VAL  44          3HG1      VAL  44 -21.005   2.526   3.295
  356   1HG2  VAL  44          1HG2      VAL  44 -18.679  -0.436   3.337
  357   2HG2  VAL  44          2HG2      VAL  44 -18.832   0.800   2.074
  358   3HG2  VAL  44          3HG2      VAL  44 -18.825   1.279   3.771
  359    H    GLY  45           H        GLY  45 -19.864  -0.642   6.650
  360   1HA   GLY  45          1HA       GLY  45 -19.340  -2.550   7.761
  361   2HA   GLY  45          2HA       GLY  45 -20.418  -3.469   6.696
  362    H    ALA  46           H        ALA  46 -17.702  -1.466   5.488
  363    HA   ALA  46           HA       ALA  46 -16.563  -3.773   4.100
  364   1HB   ALA  46          1HB       ALA  46 -16.562  -1.543   3.035
  365   2HB   ALA  46          2HB       ALA  46 -15.617  -0.887   4.388
  366   3HB   ALA  46          3HB       ALA  46 -14.902  -2.105   3.316
  367    H    SER  47           H        SER  47 -14.640  -4.720   4.547
  368    HA   SER  47           HA       SER  47 -13.359  -4.364   7.194
  369   1HB   SER  47          2HB       SER  47 -12.584  -6.224   4.900
  370   2HB   SER  47          3HB       SER  47 -12.140  -6.361   6.609
  371    HG   SER  47           HG       SER  47 -14.657  -6.751   5.358
  372    H    TYR  48           H        TYR  48 -11.471  -3.048   7.338
  373    HA   TYR  48           HA       TYR  48  -9.991  -2.418   4.886
  374   1HB   TYR  48          2HB       TYR  48 -10.269  -0.020   5.091
  375   2HB   TYR  48          3HB       TYR  48 -11.820  -0.791   4.852
  376    HD1  TYR  48           1HD      TYR  48  -9.707   1.058   7.266
  377    HD2  TYR  48           2HD      TYR  48 -13.572  -0.699   6.531
  378    HE1  TYR  48           1HE      TYR  48 -10.637   2.274   9.218
  379    HE2  TYR  48           2HE      TYR  48 -14.521   0.547   8.446
  380    HH   TYR  48           HH       TYR  48 -14.092   2.060  10.158
  381    H    LYS  49           H        LYS  49  -8.107  -1.051   5.327
  382    HA   LYS  49           HA       LYS  49  -7.012  -1.207   8.103
  383   1HB   LYS  49          2HB       LYS  49  -5.992  -2.919   6.664
  384   2HB   LYS  49          3HB       LYS  49  -5.666  -1.719   5.405
  385   1HG   LYS  49          2HG       LYS  49  -4.031  -0.596   6.872
  386   2HG   LYS  49          3HG       LYS  49  -4.400  -1.751   8.173
  387   1HD   LYS  49          2HD       LYS  49  -3.582  -3.609   6.714
  388   2HD   LYS  49          3HD       LYS  49  -3.289  -2.447   5.414
  389   1HE   LYS  49          2HE       LYS  49  -1.178  -2.922   6.452
  390   2HE   LYS  49          3HE       LYS  49  -1.626  -1.260   6.837
  391   1HZ   LYS  49          1HZ       LYS  49  -0.768  -2.458   8.768
  392   2HZ   LYS  49          2HZ       LYS  49  -2.312  -2.028   9.044
  393   3HZ   LYS  49          3HZ       LYS  49  -1.943  -3.578   8.671
  394    H    VAL  50           H        VAL  50  -5.526   0.557   8.562
  395    HA   VAL  50           HA       VAL  50  -5.763   2.919   6.786
  396    HB   VAL  50           HB       VAL  50  -6.090   2.942   9.812
  397   1HG1  VAL  50          1HG1      VAL  50  -6.581   5.131   7.735
  398   2HG1  VAL  50          2HG1      VAL  50  -6.778   5.287   9.493
  399   3HG1  VAL  50          3HG1      VAL  50  -5.176   5.046   8.810
  400   1HG2  VAL  50          1HG2      VAL  50  -8.263   3.184   7.691
  401   2HG2  VAL  50          2HG2      VAL  50  -8.113   1.923   8.943
  402   3HG2  VAL  50          3HG2      VAL  50  -8.464   3.581   9.411
  403    H    VAL  51           H        VAL  51  -3.865   4.177   6.825
  404    HA   VAL  51           HA       VAL  51  -1.612   3.225   8.511
  405    HB   VAL  51           HB       VAL  51  -1.231   3.968   5.591
  406   1HG1  VAL  51          1HG1      VAL  51   0.958   3.065   5.911
  407   2HG1  VAL  51          2HG1      VAL  51   0.657   4.080   7.325
  408   3HG1  VAL  51          3HG1      VAL  51   0.519   2.322   7.469
  409   1HG2  VAL  51          1HG2      VAL  51  -0.914   1.564   5.091
  410   2HG2  VAL  51          2HG2      VAL  51  -1.562   1.153   6.698
  411   3HG2  VAL  51          3HG2      VAL  51  -2.588   1.950   5.481
  412    H    GLU  52           H        GLU  52  -2.073   4.947   9.880
  413    HA   GLU  52           HA       GLU  52  -2.329   7.679   8.933
  414   1HB   GLU  52          2HB       GLU  52  -1.925   6.522  11.724
  415   2HB   GLU  52          3HB       GLU  52  -2.269   8.220  11.356
  416   1HG   GLU  52          2HG       GLU  52  -4.440   7.605  10.367
  417   2HG   GLU  52          3HG       GLU  52  -4.114   5.895  10.650
  418    H    LEU  53           H        LEU  53  -0.487   7.983   7.682
  419    HA   LEU  53           HA       LEU  53   2.063   7.056   8.123
  420   1HB   LEU  53          2HB       LEU  53   1.208   9.590   6.663
  421   2HB   LEU  53          3HB       LEU  53   2.791   8.840   6.516
  422    HG   LEU  53           HG       LEU  53   0.155   7.549   5.679
  423   1HD1  LEU  53          1HD1      LEU  53   2.448   8.643   4.009
  424   2HD1  LEU  53          2HD1      LEU  53   0.981   7.848   3.395
  425   3HD1  LEU  53          3HD1      LEU  53   0.852   9.409   4.216
  426   1HD2  LEU  53          1HD2      LEU  53   3.025   6.564   5.469
  427   2HD2  LEU  53          2HD2      LEU  53   1.703   5.812   6.372
  428   3HD2  LEU  53          3HD2      LEU  53   1.644   5.838   4.614
  429    H    ASP  54           H        ASP  54   0.712  10.021   9.560
  430    HA   ASP  54           HA       ASP  54   3.182  11.231  10.253
  431   1HB   ASP  54          2HB       ASP  54   1.002  12.373  10.423
  432   2HB   ASP  54          3HB       ASP  54   0.531  11.295  11.739
  433    H    GLU  55           H        GLU  55   1.561   8.426  11.659
  434    HA   GLU  55           HA       GLU  55   3.294   8.461  14.058
  435   1HB   GLU  55          2HB       GLU  55   0.779   8.012  14.096
  436   2HB   GLU  55          3HB       GLU  55   1.102   6.512  13.236
  437   1HG   GLU  55          2HG       GLU  55   0.808   6.055  15.578
  438   2HG   GLU  55          3HG       GLU  55   2.476   5.720  15.166
  439    H    LEU  56           H        LEU  56   3.301   7.197  10.839
  440    HA   LEU  56           HA       LEU  56   4.486   4.613  11.424
  441   1HB   LEU  56          2HB       LEU  56   3.081   5.049   9.414
  442   2HB   LEU  56          3HB       LEU  56   4.297   6.186   8.824
  443    HG   LEU  56           HG       LEU  56   5.953   4.340   8.652
  444   1HD1  LEU  56          1HD1      LEU  56   5.119   2.760  10.359
  445   2HD1  LEU  56          2HD1      LEU  56   3.613   2.542   9.442
  446   3HD1  LEU  56          3HD1      LEU  56   5.162   1.981   8.779
  447   1HD2  LEU  56          1HD2      LEU  56   4.569   4.979   6.729
  448   2HD2  LEU  56          2HD2      LEU  56   4.945   3.250   6.706
  449   3HD2  LEU  56          3HD2      LEU  56   3.330   3.799   7.208
  450    H    SER  57           H        SER  57   6.642   4.052  11.418
  451    HA   SER  57           HA       SER  57   8.524   5.839  12.235
  452   1HB   SER  57          2HB       SER  57   9.134   3.206  10.853
  453   2HB   SER  57          3HB       SER  57  10.016   3.970  12.188
  454    HG   SER  57           HG       SER  57   8.653   2.281  12.915
  455    H    ASP  58           H        ASP  58   7.733   5.209   8.865
  456    HA   ASP  58           HA       ASP  58   9.986   6.961   8.014
  457   1HB   ASP  58          2HB       ASP  58  10.494   4.528   7.633
  458   2HB   ASP  58          3HB       ASP  58   9.065   4.429   6.601
  459    H    GLY  59           H        GLY  59   7.113   7.387   8.635
  460   1HA   GLY  59          1HA       GLY  59   5.284   7.235   6.621
  461   2HA   GLY  59          2HA       GLY  59   5.327   8.498   7.857
  462    H    SER  60           H        SER  60   7.564  10.026   7.084
  463    HA   SER  60           HA       SER  60   6.476  11.667   5.114
  464   1HB   SER  60          2HB       SER  60   9.432  11.448   5.789
  465   2HB   SER  60          3HB       SER  60   8.547  12.878   5.227
  466    HG   SER  60           HG       SER  60   8.895  12.898   7.499
  467    H    GLN  61           H        GLN  61   9.061   9.182   4.732
  468    HA   GLN  61           HA       GLN  61   9.358   9.758   1.885
  469   1HB   GLN  61          2HB       GLN  61  10.363   7.378   3.495
  470   2HB   GLN  61          3HB       GLN  61  10.836   7.810   1.847
  471   1HG   GLN  61          2HG       GLN  61  11.614  10.062   2.797
  472   2HG   GLN  61          3HG       GLN  61  11.414   9.351   4.404
  473   1HE2  GLN  61          2HE2      GLN  61  12.620   7.137   4.709
  474   2HE2  GLN  61          1HE2      GLN  61  14.250   7.076   3.997
  475    H    LEU  62           H        LEU  62   7.504   7.485   3.895
  476    HA   LEU  62           HA       LEU  62   6.488   5.855   1.800
  477   1HB   LEU  62          2HB       LEU  62   6.299   5.815   4.488
  478   2HB   LEU  62          3HB       LEU  62   4.792   6.637   4.152
  479    HG   LEU  62           HG       LEU  62   4.445   4.279   4.474
  480   1HD1  LEU  62          1HD1      LEU  62   3.033   5.393   2.742
  481   2HD1  LEU  62          2HD1      LEU  62   4.141   4.773   1.498
  482   3HD1  LEU  62          3HD1      LEU  62   3.213   3.647   2.504
  483   1HD2  LEU  62          1HD2      LEU  62   6.315   3.711   2.147
  484   2HD2  LEU  62          2HD2      LEU  62   6.686   3.457   3.865
  485   3HD2  LEU  62          3HD2      LEU  62   5.389   2.534   3.087
  486    H    GLN  63           H        GLN  63   5.295   9.012   3.136
  487    HA   GLN  63           HA       GLN  63   3.119   9.212   1.329
  488   1HB   GLN  63          2HB       GLN  63   3.546  10.649   3.425
  489   2HB   GLN  63          3HB       GLN  63   4.662  11.595   2.425
  490   1HG   GLN  63          2HG       GLN  63   2.753  11.902   0.760
  491   2HG   GLN  63          3HG       GLN  63   1.689  11.100   1.910
  492   1HE2  GLN  63          2HE2      GLN  63   0.857  13.431   1.115
  493   2HE2  GLN  63          1HE2      GLN  63   1.145  14.724   2.272
  494    H    SER  64           H        SER  64   6.557  10.394   1.023
  495    HA   SER  64           HA       SER  64   6.274  11.546  -1.521
  496   1HB   SER  64          2HB       SER  64   8.673  10.008  -0.442
  497   2HB   SER  64          3HB       SER  64   8.682  11.192  -1.760
  498    HG   SER  64           HG       SER  64   9.283  12.087   0.314
  499    H    ALA  65           H        ALA  65   6.769   8.076  -0.671
  500    HA   ALA  65           HA       ALA  65   6.967   7.172  -3.376
  501   1HB   ALA  65          1HB       ALA  65   7.670   5.799  -1.485
  502   2HB   ALA  65          2HB       ALA  65   5.984   5.679  -0.912
  503   3HB   ALA  65          3HB       ALA  65   6.448   4.978  -2.470
  504    H    LEU  66           H        LEU  66   4.114   7.511  -1.166
  505    HA   LEU  66           HA       LEU  66   2.212   6.583  -3.074
  506   1HB   LEU  66          2HB       LEU  66   2.051   8.314  -0.616
  507   2HB   LEU  66          3HB       LEU  66   0.728   8.432  -1.753
  508    HG   LEU  66           HG       LEU  66   0.196   6.893   0.018
  509   1HD1  LEU  66          1HD1      LEU  66   0.537   5.322  -2.569
  510   2HD1  LEU  66          2HD1      LEU  66  -0.585   4.995  -1.245
  511   3HD1  LEU  66          3HD1      LEU  66  -0.777   6.464  -2.217
  512   1HD2  LEU  66          1HD2      LEU  66   2.418   6.107   0.577
  513   2HD2  LEU  66          2HD2      LEU  66   1.330   4.742   0.298
  514   3HD2  LEU  66          3HD2      LEU  66   2.527   5.191  -0.939
  515    H    ALA  67           H        ALA  67   3.502   9.926  -2.563
  516    HA   ALA  67           HA       ALA  67   1.899  11.097  -4.582
  517   1HB   ALA  67          1HB       ALA  67   3.547  12.923  -4.556
  518   2HB   ALA  67          2HB       ALA  67   3.260  12.370  -2.892
  519   3HB   ALA  67          3HB       ALA  67   4.736  11.885  -3.746
  520    H    HIS  68           H        HIS  68   5.171   9.673  -4.840
  521    HA   HIS  68           HA       HIS  68   5.541  10.049  -7.620
  522   1HB   HIS  68          2HB       HIS  68   7.467   9.435  -6.535
  523   2HB   HIS  68          3HB       HIS  68   6.649   8.341  -5.434
  524    HD1  HIS  68           1HD      HIS  68   8.212   8.251  -8.951
  525    HD2  HIS  68           2HD      HIS  68   6.417   5.824  -6.013
  526    HE1  HIS  68           1HE      HIS  68   8.627   5.842  -9.665
  527    H    TRP  69           H        TRP  69   3.954   7.366  -5.842
  528    HA   TRP  69           HA       TRP  69   3.671   5.730  -8.175
  529   1HB   TRP  69          2HB       TRP  69   3.990   4.960  -5.830
  530   2HB   TRP  69          3HB       TRP  69   2.402   5.571  -5.411
  531    HD1  TRP  69           HD1      TRP  69   2.678   3.622  -8.678
  532    HE1  TRP  69           HE1      TRP  69   1.568   1.370  -8.435
  533    HE3  TRP  69           HE3      TRP  69   1.975   3.635  -3.602
  534    HZ2  TRP  69           HZ2      TRP  69   0.395  -0.239  -6.306
  535    HZ3  TRP  69           HZ3      TRP  69   0.848   1.716  -2.496
  536    HH2  TRP  69           HH2      TRP  69   0.044  -0.208  -3.843
  537    H    THR  70           H        THR  70   1.385   7.783  -6.316
  538    HA   THR  70           HA       THR  70  -0.833   6.885  -8.054
  539    HB   THR  70           HB       THR  70  -2.279   7.725  -6.339
  540    HG1  THR  70           1HG      THR  70   0.046   8.644  -4.968
  541   1HG2  THR  70          1HG2      THR  70  -1.738   6.288  -4.513
  542   2HG2  THR  70          2HG2      THR  70  -1.074   5.499  -5.956
  543   3HG2  THR  70          3HG2      THR  70   0.002   6.359  -4.848
  544    H    GLY  71           H        GLY  71   1.177   9.721  -7.583
  545   1HA   GLY  71          1HA       GLY  71   1.167  11.750  -8.632
  546   2HA   GLY  71          2HA       GLY  71  -0.257  11.279  -9.574
  547    H    ARG  72           H        ARG  72  -1.093  10.609  -6.384
  548    HA   ARG  72           HA       ARG  72  -2.597  13.162  -6.171
  549   1HB   ARG  72          2HB       ARG  72  -3.934  11.173  -5.999
  550   2HB   ARG  72          3HB       ARG  72  -2.863  10.457  -4.791
  551   1HG   ARG  72          2HG       ARG  72  -3.480  12.142  -3.145
  552   2HG   ARG  72          3HG       ARG  72  -4.428  13.028  -4.354
  553   1HD   ARG  72          2HD       ARG  72  -6.057  11.220  -4.480
  554   2HD   ARG  72          3HD       ARG  72  -5.022  10.163  -3.514
  555    HE   ARG  72           HE       ARG  72  -5.801  11.097  -1.596
  556   1HH1  ARG  72          1HH2      ARG  72  -6.577  13.431  -4.174
  557   2HH1  ARG  72          2HH2      ARG  72  -7.494  14.453  -3.135
  558   1HH2  ARG  72          1HH1      ARG  72  -7.002  12.367  -0.286
  559   2HH2  ARG  72          2HH1      ARG  72  -7.698  13.874  -0.819
  560    H    GLY  73           H        GLY  73  -0.749  11.006  -3.942
  561   1HA   GLY  73          1HA       GLY  73   0.818  11.474  -2.336
  562   2HA   GLY  73          2HA       GLY  73   0.969  13.102  -3.010
  563    H    THR  74           H        THR  74  -1.843  13.920  -2.539
  564    HA   THR  74           HA       THR  74  -1.745  14.705   0.208
  565    HB   THR  74           HB       THR  74  -4.153  15.451  -0.433
  566    HG1  THR  74           1HG      THR  74  -4.583  15.410  -2.629
  567   1HG2  THR  74          1HG2      THR  74  -3.305  17.313  -1.802
  568   2HG2  THR  74          2HG2      THR  74  -2.183  16.963  -0.479
  569   3HG2  THR  74          3HG2      THR  74  -1.802  16.422  -2.129
  570    H    VAL  75           H        VAL  75  -3.705  14.308   1.679
  571    HA   VAL  75           HA       VAL  75  -4.231  11.398   1.723
  572    HB   VAL  75           HB       VAL  75  -4.159  11.669   4.237
  573   1HG1  VAL  75          1HG1      VAL  75  -2.420  10.519   2.911
  574   2HG1  VAL  75          2HG1      VAL  75  -1.567  12.060   2.682
  575   3HG1  VAL  75          3HG1      VAL  75  -1.728  11.357   4.303
  576   1HG2  VAL  75          1HG2      VAL  75  -2.836  13.421   5.224
  577   2HG2  VAL  75          2HG2      VAL  75  -2.559  14.194   3.652
  578   3HG2  VAL  75          3HG2      VAL  75  -4.192  14.157   4.364
  579    HA   PRO  76           HA       PRO  76  -5.411  10.036   3.134
  580   1HB   PRO  76          2HB       PRO  76  -7.620   8.487   2.800
  581   2HB   PRO  76          3HB       PRO  76  -7.329   9.423   4.298
  582   1HG   PRO  76          2HG       PRO  76  -9.066  10.174   1.934
  583   2HG   PRO  76          3HG       PRO  76  -9.468  10.245   3.680
  584   1HD   PRO  76          2HD       PRO  76  -8.577  12.443   2.255
  585   2HD   PRO  76          3HD       PRO  76  -8.183  12.193   3.980
  586    H    ASN  77           H        ASN  77  -5.248   8.127   1.685
  587    HA   ASN  77           HA       ASN  77  -5.816   8.626  -1.203
  588   1HB   ASN  77          2HB       ASN  77  -3.453   9.276  -0.530
  589   2HB   ASN  77          3HB       ASN  77  -3.176   7.614  -0.038
  590   1HD2  ASN  77          2HD2      ASN  77  -2.082   9.432  -2.238
  591   2HD2  ASN  77          1HD2      ASN  77  -2.153   8.444  -3.680
  592    H    VAL  78           H        VAL  78  -7.152   6.932  -1.746
  593    HA   VAL  78           HA       VAL  78  -7.169   4.628   0.118
  594    HB   VAL  78           HB       VAL  78  -9.566   4.483  -0.608
  595   1HG1  VAL  78          1HG1      VAL  78  -8.712   7.013   0.873
  596   2HG1  VAL  78          2HG1      VAL  78 -10.309   6.241   0.945
  597   3HG1  VAL  78          3HG1      VAL  78  -8.891   5.390   1.570
  598   1HG2  VAL  78          1HG2      VAL  78  -9.490   5.948  -2.632
  599   2HG2  VAL  78          2HG2      VAL  78 -10.704   6.451  -1.446
  600   3HG2  VAL  78          3HG2      VAL  78  -9.197   7.344  -1.564
  601    H    PHE  79           H        PHE  79  -7.371   2.611  -0.525
  602    HA   PHE  79           HA       PHE  79  -7.153   1.936  -3.405
  603   1HB   PHE  79          2HB       PHE  79  -5.543   0.886  -1.033
  604   2HB   PHE  79          3HB       PHE  79  -5.679   0.021  -2.548
  605    HD1  PHE  79           1HD      PHE  79  -4.647   3.440  -1.275
  606    HD2  PHE  79           2HD      PHE  79  -3.976   0.253  -4.110
  607    HE1  PHE  79           1HE      PHE  79  -2.686   4.639  -2.169
  608    HE2  PHE  79           2HE      PHE  79  -2.013   1.469  -5.000
  609    HZ   PHE  79           HZ       PHE  79  -1.345   3.651  -4.019
  610    H    ILE  80           H        ILE  80  -8.272   0.036  -3.934
  611    HA   ILE  80           HA       ILE  80  -9.548  -1.549  -1.813
  612    HB   ILE  80           HB       ILE  80 -11.125  -0.292  -4.106
  613   1HG1  ILE  80          2HG1      ILE  80 -11.485   0.034  -1.101
  614   2HG1  ILE  80          3HG1      ILE  80 -10.779   1.246  -2.160
  615   1HG2  ILE  80          1HG2      ILE  80 -13.065  -1.571  -3.023
  616   2HG2  ILE  80          2HG2      ILE  80 -11.876  -2.524  -3.884
  617   3HG2  ILE  80          3HG2      ILE  80 -11.846  -2.460  -2.104
  618   1HD1  ILE  80          1HD1      ILE  80 -13.007   1.907  -1.719
  619   2HD1  ILE  80          2HD1      ILE  80 -12.946   1.384  -3.409
  620   3HD1  ILE  80          3HD1      ILE  80 -13.672   0.334  -2.170
  621    H    GLY  81           H        GLY  81  -9.542  -3.695  -2.427
  622   1HA   GLY  81          1HA       GLY  81  -8.969  -5.575  -3.591
  623   2HA   GLY  81          2HA       GLY  81  -9.486  -4.729  -5.060
  624    H    GLY  82           H        GLY  82  -6.831  -3.543  -3.003
  625   1HA   GLY  82          1HA       GLY  82  -4.589  -3.333  -3.353
  626   2HA   GLY  82          2HA       GLY  82  -4.662  -4.694  -4.481
  627    H    LYS  83           H        LYS  83  -6.763  -1.950  -5.213
  628    HA   LYS  83           HA       LYS  83  -4.814  -0.942  -7.244
  629   1HB   LYS  83          2HB       LYS  83  -6.730  -2.282  -8.204
  630   2HB   LYS  83          3HB       LYS  83  -7.852  -1.145  -7.438
  631   1HG   LYS  83          2HG       LYS  83  -6.655   0.705  -8.751
  632   2HG   LYS  83          3HG       LYS  83  -5.821  -0.563  -9.641
  633   1HD   LYS  83          2HD       LYS  83  -7.897  -1.371 -10.563
  634   2HD   LYS  83          3HD       LYS  83  -8.870  -0.380  -9.465
  635   1HE   LYS  83          2HE       LYS  83  -6.926   0.781 -11.510
  636   2HE   LYS  83          3HE       LYS  83  -8.634   0.498 -11.853
  637   1HZ   LYS  83          1HZ       LYS  83  -7.684   2.280  -9.664
  638   2HZ   LYS  83          2HZ       LYS  83  -8.167   2.783 -11.145
  639   3HZ   LYS  83          3HZ       LYS  83  -9.231   2.057 -10.153
  640    H    GLN  84           H        GLN  84  -4.610   1.280  -7.310
  641    HA   GLN  84           HA       GLN  84  -5.490   2.949  -5.155
  642   1HB   GLN  84          2HB       GLN  84  -3.483   3.126  -6.861
  643   2HB   GLN  84          3HB       GLN  84  -4.644   3.908  -7.923
  644   1HG   GLN  84          2HG       GLN  84  -3.768   4.806  -5.146
  645   2HG   GLN  84          3HG       GLN  84  -3.258   5.496  -6.685
  646   1HE2  GLN  84          2HE2      GLN  84  -4.872   6.466  -4.155
  647   2HE2  GLN  84          1HE2      GLN  84  -6.218   7.308  -4.859
  648    H    ILE  85           H        ILE  85  -7.409   4.128  -4.984
  649    HA   ILE  85           HA       ILE  85  -9.321   3.958  -7.286
  650    HB   ILE  85           HB       ILE  85  -9.885   4.254  -4.318
  651   1HG1  ILE  85          2HG1      ILE  85  -9.123   2.028  -4.637
  652   2HG1  ILE  85          3HG1      ILE  85 -10.862   1.996  -4.465
  653   1HG2  ILE  85          1HG2      ILE  85 -11.793   3.937  -6.670
  654   2HG2  ILE  85          2HG2      ILE  85 -12.253   3.828  -4.954
  655   3HG2  ILE  85          3HG2      ILE  85 -11.631   5.345  -5.602
  656   1HD1  ILE  85          1HD1      ILE  85 -10.239   0.397  -6.152
  657   2HD1  ILE  85          2HD1      ILE  85 -11.044   1.739  -6.988
  658   3HD1  ILE  85          3HD1      ILE  85  -9.277   1.586  -7.032
  659    H    GLY  86           H        GLY  86  -8.189   6.160  -4.614
  660   1HA   GLY  86          1HA       GLY  86  -7.880   8.463  -6.102
  661   2HA   GLY  86          2HA       GLY  86  -9.614   8.403  -5.767
  662    H    GLY  87           H        GLY  87  -9.946   9.861  -4.226
  663   1HA   GLY  87          1HA       GLY  87  -8.439   9.703  -1.645
  664   2HA   GLY  87          2HA       GLY  87  -8.906  11.235  -2.402
  665    H    CYS  88           H        CYS  88  -9.991  11.428  -0.235
  666    HA   CYS  88           HA       CYS  88 -12.158   9.889   0.638
  667   1HB   CYS  88          2HB       CYS  88 -12.839  12.134   1.742
  668   2HB   CYS  88          3HB       CYS  88 -11.255  11.474   2.156
  669    HG   CYS  88           HG       CYS  88 -11.169  14.132   1.915
  670    H    ASP  89           H        ASP  89 -12.244  12.830  -1.405
  671    HA   ASP  89           HA       ASP  89 -15.029  12.919  -1.763
  672   1HB   ASP  89          2HB       ASP  89 -13.544  14.765  -2.371
  673   2HB   ASP  89          3HB       ASP  89 -12.789  13.786  -3.633
  674    H    THR  90           H        THR  90 -12.585  10.982  -3.546
  675    HA   THR  90           HA       THR  90 -14.295  10.199  -5.659
  676    HB   THR  90           HB       THR  90 -12.065   8.485  -4.523
  677    HG1  THR  90           1HG      THR  90 -11.773  10.852  -6.064
  678   1HG2  THR  90          1HG2      THR  90 -13.029   9.080  -7.352
  679   2HG2  THR  90          2HG2      THR  90 -11.644   8.045  -6.930
  680   3HG2  THR  90          3HG2      THR  90 -13.280   7.581  -6.436
  681    H    VAL  91           H        VAL  91 -13.533   8.526  -2.491
  682    HA   VAL  91           HA       VAL  91 -15.376   6.400  -3.184
  683    HB   VAL  91           HB       VAL  91 -15.145   5.711  -0.778
  684   1HG1  VAL  91          1HG1      VAL  91 -12.814   4.907  -1.142
  685   2HG1  VAL  91          2HG1      VAL  91 -13.830   4.719  -2.576
  686   3HG1  VAL  91          3HG1      VAL  91 -12.654   6.040  -2.508
  687   1HG2  VAL  91          1HG2      VAL  91 -14.512   7.898   0.231
  688   2HG2  VAL  91          2HG2      VAL  91 -13.338   6.618   0.561
  689   3HG2  VAL  91          3HG2      VAL  91 -12.971   7.848  -0.659
  690    H    VAL  92           H        VAL  92 -15.784   9.489  -1.385
  691    HA   VAL  92           HA       VAL  92 -18.426   8.830  -0.467
  692    HB   VAL  92           HB       VAL  92 -16.956  11.450  -0.980
  693   1HG1  VAL  92          1HG1      VAL  92 -19.702  11.064   0.284
  694   2HG1  VAL  92          2HG1      VAL  92 -18.709  12.529   0.466
  695   3HG1  VAL  92          3HG1      VAL  92 -19.276  12.062  -1.129
  696   1HG2  VAL  92          1HG2      VAL  92 -17.744  10.059   1.624
  697   2HG2  VAL  92          2HG2      VAL  92 -16.127   9.989   0.901
  698   3HG2  VAL  92          3HG2      VAL  92 -16.769  11.533   1.456
  699    H    GLU  93           H        GLU  93 -17.215  10.287  -3.570
  700    HA   GLU  93           HA       GLU  93 -19.834  10.704  -4.650
  701   1HB   GLU  93          2HB       GLU  93 -17.697  11.750  -5.483
  702   2HB   GLU  93          3HB       GLU  93 -17.258  10.186  -6.199
  703   1HG   GLU  93          2HG       GLU  93 -19.435  10.244  -7.479
  704   2HG   GLU  93          3HG       GLU  93 -19.766  11.836  -6.800
  705    H    LYS  94           H        LYS  94 -17.489   7.965  -5.014
  706    HA   LYS  94           HA       LYS  94 -19.218   6.377  -6.654
  707   1HB   LYS  94          2HB       LYS  94 -16.920   5.624  -4.810
  708   2HB   LYS  94          3HB       LYS  94 -17.743   4.475  -5.879
  709   1HG   LYS  94          2HG       LYS  94 -17.115   5.765  -7.863
  710   2HG   LYS  94          3HG       LYS  94 -16.426   7.039  -6.872
  711   1HD   LYS  94          2HD       LYS  94 -14.553   5.830  -7.600
  712   2HD   LYS  94          3HD       LYS  94 -14.794   5.336  -5.931
  713   1HE   LYS  94          2HE       LYS  94 -14.316   3.340  -7.070
  714   2HE   LYS  94          3HE       LYS  94 -16.068   3.289  -6.860
  715   1HZ   LYS  94          1HZ       LYS  94 -16.296   4.025  -9.187
  716   2HZ   LYS  94          2HZ       LYS  94 -14.667   4.126  -9.346
  717   3HZ   LYS  94          3HZ       LYS  94 -15.377   2.680  -9.117
  718    H    HIS  95           H        HIS  95 -19.115   6.734  -3.076
  719    HA   HIS  95           HA       HIS  95 -20.995   4.614  -2.622
  720   1HB   HIS  95          2HB       HIS  95 -19.618   5.608  -0.818
  721   2HB   HIS  95          3HB       HIS  95 -20.488   7.131  -0.985
  722    HD1  HIS  95           1HD      HIS  95 -21.729   3.437  -0.490
  723    HD2  HIS  95           2HD      HIS  95 -22.248   7.376   0.899
  724    HE1  HIS  95           1HE      HIS  95 -23.571   3.340   1.251
  725    H    GLN  96           H        GLN  96 -21.444   8.187  -3.144
  726    HA   GLN  96           HA       GLN  96 -24.283   8.068  -2.984
  727   1HB   GLN  96          2HB       GLN  96 -22.399   9.968  -4.418
  728   2HB   GLN  96          3HB       GLN  96 -24.148  10.202  -4.405
  729   1HG   GLN  96          2HG       GLN  96 -24.233  10.467  -2.032
  730   2HG   GLN  96          3HG       GLN  96 -22.580   9.888  -1.816
  731   1HE2  GLN  96          2HE2      GLN  96 -20.811  11.179  -2.616
  732   2HE2  GLN  96          1HE2      GLN  96 -20.981  12.925  -2.799
  733    H    ARG  97           H        ARG  97 -22.097   7.533  -5.776
  734    HA   ARG  97           HA       ARG  97 -24.174   7.138  -7.739
  735   1HB   ARG  97          2HB       ARG  97 -21.284   6.172  -7.590
  736   2HB   ARG  97          3HB       ARG  97 -22.311   5.964  -9.004
  737   1HG   ARG  97          2HG       ARG  97 -22.528   8.380  -9.294
  738   2HG   ARG  97          3HG       ARG  97 -21.546   8.676  -7.854
  739   1HD   ARG  97          2HD       ARG  97 -19.649   7.438  -8.893
  740   2HD   ARG  97          3HD       ARG  97 -20.610   7.170 -10.347
  741    HE   ARG  97           HE       ARG  97 -19.222   9.606  -9.511
  742   1HH1  ARG  97          1HH2      ARG  97 -21.776   8.399 -11.694
  743   2HH1  ARG  97          2HH2      ARG  97 -21.626   9.733 -12.776
  744   1HH2  ARG  97          1HH1      ARG  97 -19.026  11.251 -10.845
  745   2HH2  ARG  97          2HH1      ARG  97 -19.998  11.450 -12.291
  746    H    ASN  98           H        ASN  98 -23.471   5.223  -5.035
  747    HA   ASN  98           HA       ASN  98 -23.621   3.098  -4.439
  748   1HB   ASN  98          2HB       ASN  98 -26.028   3.506  -4.904
  749   2HB   ASN  98          3HB       ASN  98 -25.802   2.840  -6.526
  750   1HD2  ASN  98          2HD2      ASN  98 -27.104   0.956  -6.277
  751   2HD2  ASN  98          1HD2      ASN  98 -26.731  -0.305  -5.132
  752    H    GLU  99           H        GLU  99 -21.569   3.698  -6.122
  753    HA   GLU  99           HA       GLU  99 -21.183   1.316  -7.871
  754   1HB   GLU  99          2HB       GLU  99 -21.070   3.613  -8.872
  755   2HB   GLU  99          3HB       GLU  99 -19.699   3.971  -7.815
  756   1HG   GLU  99          2HG       GLU  99 -18.423   2.107  -8.866
  757   2HG   GLU  99          3HG       GLU  99 -19.815   1.733  -9.891
  758    H    LEU 100           H        LEU 100 -20.042   3.094  -5.039
  759    HA   LEU 100           HA       LEU 100 -17.570   1.736  -4.641
  760   1HB   LEU 100          2HB       LEU 100 -18.237   3.793  -3.420
  761   2HB   LEU 100          3HB       LEU 100 -19.516   2.890  -2.597
  762    HG   LEU 100           HG       LEU 100 -17.797   1.476  -1.501
  763   1HD1  LEU 100          1HD1      LEU 100 -15.415   2.245  -1.551
  764   2HD1  LEU 100          2HD1      LEU 100 -15.950   1.571  -3.091
  765   3HD1  LEU 100          3HD1      LEU 100 -15.822   3.337  -2.893
  766   1HD2  LEU 100          1HD2      LEU 100 -17.402   4.465  -1.115
  767   2HD2  LEU 100          2HD2      LEU 100 -18.648   3.452  -0.347
  768   3HD2  LEU 100          3HD2      LEU 100 -16.944   3.196   0.041
  769    H    LEU 101           H        LEU 101 -20.945   0.854  -3.735
  770    HA   LEU 101           HA       LEU 101 -20.159  -1.330  -2.079
  771   1HB   LEU 101          2HB       LEU 101 -22.742  -0.452  -3.337
  772   2HB   LEU 101          3HB       LEU 101 -22.630  -2.124  -2.833
  773    HG   LEU 101           HG       LEU 101 -23.668  -0.753  -1.134
  774   1HD1  LEU 101          1HD1      LEU 101 -22.462  -1.527   0.796
  775   2HD1  LEU 101          2HD1      LEU 101 -22.322  -2.757  -0.468
  776   3HD1  LEU 101          3HD1      LEU 101 -20.949  -1.686  -0.110
  777   1HD2  LEU 101          1HD2      LEU 101 -22.490   1.377  -1.614
  778   2HD2  LEU 101          2HD2      LEU 101 -22.526   0.957   0.105
  779   3HD2  LEU 101          3HD2      LEU 101 -21.025   0.728  -0.825
  780    HA   PRO 102           HA       PRO 102 -20.572  -4.157  -6.022
  781   1HB   PRO 102          2HB       PRO 102 -19.838  -1.964  -7.987
  782   2HB   PRO 102          3HB       PRO 102 -20.678  -3.518  -8.302
  783   1HG   PRO 102          2HG       PRO 102 -22.108  -1.233  -8.029
  784   2HG   PRO 102          3HG       PRO 102 -22.669  -2.741  -7.236
  785   1HD   PRO 102          2HD       PRO 102 -21.280  -0.378  -5.997
  786   2HD   PRO 102          3HD       PRO 102 -22.577  -1.412  -5.349
  787    H    LEU 103           H        LEU 103 -18.246  -1.359  -6.075
  788    HA   LEU 103           HA       LEU 103 -16.000  -2.919  -6.861
  789   1HB   LEU 103          2HB       LEU 103 -16.087  -0.506  -7.106
  790   2HB   LEU 103          3HB       LEU 103 -16.277  -0.287  -5.367
  791    HG   LEU 103           HG       LEU 103 -14.011  -1.108  -4.961
  792   1HD1  LEU 103          1HD1      LEU 103 -12.414  -1.422  -6.842
  793   2HD1  LEU 103          2HD1      LEU 103 -13.668  -2.662  -6.837
  794   3HD1  LEU 103          3HD1      LEU 103 -13.764  -1.318  -7.995
  795   1HD2  LEU 103          1HD2      LEU 103 -12.837   0.813  -5.825
  796   2HD2  LEU 103          2HD2      LEU 103 -14.051   1.046  -7.101
  797   3HD2  LEU 103          3HD2      LEU 103 -14.477   1.300  -5.388
  798    H    LEU 104           H        LEU 104 -17.232  -2.030  -3.605
  799    HA   LEU 104           HA       LEU 104 -15.110  -3.263  -2.133
  800   1HB   LEU 104          2HB       LEU 104 -18.009  -2.622  -1.476
  801   2HB   LEU 104          3HB       LEU 104 -16.925  -3.373  -0.315
  802    HG   LEU 104           HG       LEU 104 -16.302  -0.697  -1.630
  803   1HD1  LEU 104          1HD1      LEU 104 -17.065   0.296   0.516
  804   2HD1  LEU 104          2HD1      LEU 104 -18.384  -0.513  -0.351
  805   3HD1  LEU 104          3HD1      LEU 104 -17.634  -1.303   1.044
  806   1HD2  LEU 104          1HD2      LEU 104 -14.751  -0.417   0.262
  807   2HD2  LEU 104          2HD2      LEU 104 -15.164  -2.034   0.860
  808   3HD2  LEU 104          3HD2      LEU 104 -14.319  -1.837  -0.689
  809    H    GLN 105           H        GLN 105 -18.232  -4.547  -3.377
  810    HA   GLN 105           HA       GLN 105 -17.883  -7.121  -2.133
  811   1HB   GLN 105          2HB       GLN 105 -19.622  -6.121  -4.430
  812   2HB   GLN 105          3HB       GLN 105 -19.673  -7.794  -3.836
  813   1HG   GLN 105          2HG       GLN 105 -20.233  -7.094  -1.612
  814   2HG   GLN 105          3HG       GLN 105 -19.981  -5.397  -2.018
  815   1HE2  GLN 105          2HE2      GLN 105 -21.517  -4.259  -3.186
  816   2HE2  GLN 105          1HE2      GLN 105 -23.171  -4.842  -3.397
  817    H    ASP 106           H        ASP 106 -16.970  -5.775  -5.290
  818    HA   ASP 106           HA       ASP 106 -15.961  -8.152  -6.470
  819   1HB   ASP 106          2HB       ASP 106 -16.365  -6.044  -7.641
  820   2HB   ASP 106          3HB       ASP 106 -15.053  -5.282  -6.766
  821    H    ALA 107           H        ALA 107 -14.431  -5.754  -4.272
  822    HA   ALA 107           HA       ALA 107 -11.968  -7.285  -3.994
  823   1HB   ALA 107          1HB       ALA 107 -12.046  -4.837  -3.749
  824   2HB   ALA 107          2HB       ALA 107 -13.111  -4.998  -2.332
  825   3HB   ALA 107          3HB       ALA 107 -11.445  -5.607  -2.271
  826    H    ALA 108           H        ALA 108 -14.995  -8.120  -2.981
  827    HA   ALA 108           HA       ALA 108 -16.021  -9.143  -1.322
  828   1HB   ALA 108          1HB       ALA 108 -13.366 -10.551  -0.875
  829   2HB   ALA 108          2HB       ALA 108 -14.980 -11.145  -0.432
  830   3HB   ALA 108          3HB       ALA 108 -14.550 -10.956  -2.140
  831    H    ALA 109           H        ALA 109 -14.737  -6.572  -0.558
  832    HA   ALA 109           HA       ALA 109 -13.541  -6.776   2.034
  833   1HB   ALA 109          1HB       ALA 109 -13.797  -4.328   2.051
  834   2HB   ALA 109          2HB       ALA 109 -13.207  -4.872   0.465
  835   3HB   ALA 109          3HB       ALA 109 -14.909  -4.414   0.669
  836    H    THR 110           H        THR 110 -16.951  -6.226   0.978
  837    HA   THR 110           HA       THR 110 -17.819  -5.743   3.746
  838    HB   THR 110           HB       THR 110 -20.042  -5.481   2.479
  839    HG1  THR 110           1HG      THR 110 -19.756  -5.292   0.197
  840   1HG2  THR 110          1HG2      THR 110 -19.329  -3.356   1.306
  841   2HG2  THR 110          2HG2      THR 110 -18.844  -3.476   3.002
  842   3HG2  THR 110          3HG2      THR 110 -17.648  -3.763   1.726
  843    H    ALA 111           H        ALA 111 -17.405  -8.440   1.689
  844    HA   ALA 111           HA       ALA 111 -18.230 -10.481   1.444
  845   1HB   ALA 111          1HB       ALA 111 -17.278 -10.719   3.712
  846   2HB   ALA 111          2HB       ALA 111 -18.871 -10.347   4.412
  847   3HB   ALA 111          3HB       ALA 111 -18.647 -11.808   3.432
  848    H    LYS 112           H        LYS 112 -20.235  -8.070   1.280
  849    HA   LYS 112           HA       LYS 112 -22.826  -9.283   1.765
  850   1HB   LYS 112          2HB       LYS 112 -21.872  -6.890   0.138
  851   2HB   LYS 112          3HB       LYS 112 -23.557  -7.428   0.104
  852   1HG   LYS 112          2HG       LYS 112 -23.793  -7.128   2.495
  853   2HG   LYS 112          3HG       LYS 112 -22.076  -6.725   2.674
  854   1HD   LYS 112          2HD       LYS 112 -22.348  -4.645   1.455
  855   2HD   LYS 112          3HD       LYS 112 -23.967  -5.109   0.919
  856   1HE   LYS 112          2HE       LYS 112 -24.202  -3.479   2.673
  857   2HE   LYS 112          3HE       LYS 112 -24.806  -5.038   3.232
  858   1HZ   LYS 112          1HZ       LYS 112 -22.675  -5.316   4.432
  859   2HZ   LYS 112          2HZ       LYS 112 -22.209  -3.798   3.975
  860   3HZ   LYS 112          3HZ       LYS 112 -23.506  -4.011   4.932
  861    H    ASN 113           H        ASN 113 -20.516  -9.348  -0.882
  862    HA   ASN 113           HA       ASN 113 -21.764 -11.764  -1.853
  863   1HB   ASN 113          2HB       ASN 113 -22.764  -9.842  -3.286
  864   2HB   ASN 113          3HB       ASN 113 -21.127  -9.582  -3.896
  865   1HD2  ASN 113          2HD2      ASN 113 -20.722 -10.684  -5.813
  866   2HD2  ASN 113          1HD2      ASN 113 -21.516 -12.170  -6.286
  867    HA   PRO 114           HA       PRO 114 -17.318 -12.125  -1.614
  868   1HB   PRO 114          2HB       PRO 114 -16.876 -14.641  -2.645
  869   2HB   PRO 114          3HB       PRO 114 -17.668 -14.334  -1.073
  870   1HG   PRO 114          2HG       PRO 114 -18.996 -14.841  -3.755
  871   2HG   PRO 114          3HG       PRO 114 -19.332 -15.643  -2.185
  872   1HD   PRO 114          2HD       PRO 114 -20.842 -13.572  -3.067
  873   2HD   PRO 114          3HD       PRO 114 -20.427 -13.710  -1.335
  874    H    ALA 115           H        ALA 115 -18.785 -11.325  -4.430
  875    HA   ALA 115           HA       ALA 115 -16.343 -10.769  -5.839
  876   1HB   ALA 115          1HB       ALA 115 -17.016 -11.904  -7.943
  877   2HB   ALA 115          2HB       ALA 115 -16.814 -13.098  -6.654
  878   3HB   ALA 115          3HB       ALA 115 -18.447 -12.583  -7.139
  879    H    GLN 116           H        GLN 116 -17.191  -9.694  -8.052
  880    HA   GLN 116           HA       GLN 116 -18.939  -7.521  -7.474
  881   1HB   GLN 116          2HB       GLN 116 -18.896  -7.139  -9.937
  882   2HB   GLN 116          3HB       GLN 116 -17.316  -7.278  -9.203
  883   1HG   GLN 116          2HG       GLN 116 -17.162  -9.655 -10.023
  884   2HG   GLN 116          3HG       GLN 116 -18.725  -9.439 -10.822
  885   1HE2  GLN 116          1HE2      GLN 116 -15.458  -7.864 -10.569
  886   2HE2  GLN 116          2HE2      GLN 116 -15.363  -7.438 -12.274
  887    H    LEU 117           H        LEU 117 -20.937  -7.053  -8.695
  888    HA   LEU 117           HA       LEU 117 -22.691  -9.295  -9.290
  889   1HB   LEU 117          2HB       LEU 117 -24.401  -8.742  -7.765
  890   2HB   LEU 117          3HB       LEU 117 -22.940  -8.986  -6.851
  891    HG   LEU 117           HG       LEU 117 -24.089  -7.276  -5.801
  892   1HD1  LEU 117          1HD1      LEU 117 -22.041  -5.740  -7.430
  893   2HD1  LEU 117          2HD1      LEU 117 -22.685  -5.321  -5.841
  894   3HD1  LEU 117          3HD1      LEU 117 -21.682  -6.771  -6.019
  895   1HD2  LEU 117          1HD2      LEU 117 -25.644  -6.682  -7.667
  896   2HD2  LEU 117          2HD2      LEU 117 -25.070  -5.320  -6.697
  897   3HD2  LEU 117          3HD2      LEU 117 -24.390  -5.593  -8.302
  Start of MODEL    6
    1   1H    MET   1           H1       MET   1  17.561   9.294   3.628
    2   2H    MET   1           H2       MET   1  17.464  10.819   4.229
    3   3H    MET   1           H3       MET   1  17.422   9.523   5.250
    4    HA   MET   1           HA       MET   1  15.382   8.758   4.256
    5   1HB   MET   1          2HB       MET   1  15.370  10.291   6.272
    6   2HB   MET   1          3HB       MET   1  15.093  11.653   5.176
    7   1HG   MET   1          2HG       MET   1  12.985  10.585   4.409
    8   2HG   MET   1          3HG       MET   1  13.308   9.197   5.457
    9   1HE   MET   1          1HE       MET   1  10.558  10.580   5.486
   10   2HE   MET   1          2HE       MET   1  10.978   9.287   6.636
   11   3HE   MET   1          3HE       MET   1  10.231  10.791   7.222
   12    H    ALA   2           H        ALA   2  13.934   8.823   2.572
   13    HA   ALA   2           HA       ALA   2  13.176   9.129   0.535
   14   1HB   ALA   2          1HB       ALA   2  13.580  12.103   0.991
   15   2HB   ALA   2          2HB       ALA   2  12.425  11.326  -0.108
   16   3HB   ALA   2          3HB       ALA   2  12.230  11.148   1.642
   17    H    SER   3           H        SER   3  16.259   8.907   0.766
   18    HA   SER   3           HA       SER   3  17.271  10.117  -1.676
   19   1HB   SER   3          2HB       SER   3  18.210   7.508  -0.435
   20   2HB   SER   3          3HB       SER   3  19.144   8.675  -1.383
   21    HG   SER   3           HG       SER   3  18.176   8.805   1.266
   22    H    LYS   4           H        LYS   4  17.756   8.658  -3.685
   23    HA   LYS   4           HA       LYS   4  15.348   7.828  -4.739
   24   1HB   LYS   4          2HB       LYS   4  17.335   8.404  -6.072
   25   2HB   LYS   4          3HB       LYS   4  18.146   6.929  -5.552
   26   1HG   LYS   4          2HG       LYS   4  17.314   6.699  -7.816
   27   2HG   LYS   4          3HG       LYS   4  16.493   5.554  -6.759
   28   1HD   LYS   4          2HD       LYS   4  14.487   7.005  -6.702
   29   2HD   LYS   4          3HD       LYS   4  15.337   8.228  -7.678
   30   1HE   LYS   4          2HE       LYS   4  15.586   6.560  -9.513
   31   2HE   LYS   4          3HE       LYS   4  14.726   5.361  -8.541
   32   1HZ   LYS   4          1HZ       LYS   4  13.263   6.436 -10.128
   33   2HZ   LYS   4          2HZ       LYS   4  12.771   6.800  -8.618
   34   3HZ   LYS   4          3HZ       LYS   4  13.571   7.912  -9.515
   35    H    GLN   5           H        GLN   5  17.830   5.564  -3.374
   36    HA   GLN   5           HA       GLN   5  16.139   3.296  -3.878
   37   1HB   GLN   5          2HB       GLN   5  18.591   3.139  -3.740
   38   2HB   GLN   5          3HB       GLN   5  18.540   3.561  -2.027
   39   1HG   GLN   5          2HG       GLN   5  18.853   1.138  -2.400
   40   2HG   GLN   5          3HG       GLN   5  17.394   1.476  -1.489
   41   1HE2  GLN   5          2HE2      GLN   5  15.332   1.094  -2.476
   42   2HE2  GLN   5          1HE2      GLN   5  15.121   0.211  -3.969
   43    H    GLU   6           H        GLU   6  16.333   5.587  -1.156
   44    HA   GLU   6           HA       GLU   6  14.903   3.862   0.702
   45   1HB   GLU   6          2HB       GLU   6  15.214   6.892   0.681
   46   2HB   GLU   6          3HB       GLU   6  14.594   5.916   2.012
   47   1HG   GLU   6          2HG       GLU   6  16.773   4.773   2.227
   48   2HG   GLU   6          3HG       GLU   6  17.425   5.742   0.899
   49    H    LEU   7           H        LEU   7  14.041   6.393  -1.678
   50    HA   LEU   7           HA       LEU   7  11.243   6.454  -1.092
   51   1HB   LEU   7          2HB       LEU   7  12.543   8.211  -2.342
   52   2HB   LEU   7          3HB       LEU   7  12.725   7.081  -3.682
   53    HG   LEU   7           HG       LEU   7  10.209   7.021  -3.919
   54   1HD1  LEU   7          1HD1      LEU   7   9.499   7.710  -1.669
   55   2HD1  LEU   7          2HD1      LEU   7  10.339   9.266  -1.848
   56   3HD1  LEU   7          3HD1      LEU   7   8.928   8.887  -2.856
   57   1HD2  LEU   7          1HD2      LEU   7  10.049   9.230  -4.980
   58   2HD2  LEU   7          2HD2      LEU   7  11.502   9.772  -4.107
   59   3HD2  LEU   7          3HD2      LEU   7  11.614   8.480  -5.321
   60    H    ASP   8           H        ASP   8  13.227   4.554  -3.434
   61    HA   ASP   8           HA       ASP   8  11.031   3.093  -4.559
   62   1HB   ASP   8          2HB       ASP   8  13.175   3.153  -5.672
   63   2HB   ASP   8          3HB       ASP   8  13.990   2.479  -4.265
   64    H    ALA   9           H        ALA   9  13.085   2.457  -1.656
   65    HA   ALA   9           HA       ALA   9  11.863  -0.077  -1.099
   66   1HB   ALA   9          1HB       ALA   9  13.216   1.900   0.801
   67   2HB   ALA   9          2HB       ALA   9  12.844   0.201   1.153
   68   3HB   ALA   9          3HB       ALA   9  14.028   0.602  -0.107
   69    H    ALA  10           H        ALA  10  11.098   3.290  -0.088
   70    HA   ALA  10           HA       ALA  10   8.881   2.657   1.568
   71   1HB   ALA  10          1HB       ALA  10   9.384   5.148  -0.121
   72   2HB   ALA  10          2HB       ALA  10   8.232   4.999   1.213
   73   3HB   ALA  10          3HB       ALA  10   9.966   4.868   1.533
   74    H    LEU  11           H        LEU  11   9.089   3.205  -2.008
   75    HA   LEU  11           HA       LEU  11   6.313   2.872  -2.509
   76   1HB   LEU  11          2HB       LEU  11   7.886   3.730  -4.203
   77   2HB   LEU  11          3HB       LEU  11   8.708   2.174  -4.256
   78    HG   LEU  11           HG       LEU  11   6.651   1.080  -5.129
   79   1HD1  LEU  11          1HD1      LEU  11   4.877   2.459  -4.228
   80   2HD1  LEU  11          2HD1      LEU  11   5.535   3.908  -5.018
   81   3HD1  LEU  11          3HD1      LEU  11   4.818   2.598  -5.984
   82   1HD2  LEU  11          1HD2      LEU  11   8.351   1.905  -6.669
   83   2HD2  LEU  11          2HD2      LEU  11   6.737   2.114  -7.369
   84   3HD2  LEU  11          3HD2      LEU  11   7.595   3.510  -6.684
   85    H    LYS  12           H        LYS  12   8.943   0.395  -2.372
   86    HA   LYS  12           HA       LYS  12   7.224  -1.786  -2.939
   87   1HB   LYS  12          2HB       LYS  12   9.710  -1.854  -2.967
   88   2HB   LYS  12          3HB       LYS  12   9.738  -1.729  -1.202
   89   1HG   LYS  12          2HG       LYS  12   8.542  -3.891  -1.018
   90   2HG   LYS  12          3HG       LYS  12   8.463  -3.999  -2.790
   91   1HD   LYS  12          2HD       LYS  12  10.947  -4.050  -2.900
   92   2HD   LYS  12          3HD       LYS  12  11.033  -3.840  -1.148
   93   1HE   LYS  12          2HE       LYS  12  11.419  -6.150  -1.608
   94   2HE   LYS  12          3HE       LYS  12   9.844  -6.004  -0.826
   95   1HZ   LYS  12          1HZ       LYS  12   8.814  -6.260  -3.015
   96   2HZ   LYS  12          2HZ       LYS  12  10.279  -6.358  -3.740
   97   3HZ   LYS  12          3HZ       LYS  12   9.796  -7.520  -2.711
   98    H    LYS  13           H        LYS  13   8.077  -0.292   0.231
   99    HA   LYS  13           HA       LYS  13   6.479  -2.034   1.800
  100   1HB   LYS  13          2HB       LYS  13   8.195  -0.490   2.714
  101   2HB   LYS  13          3HB       LYS  13   7.208   0.896   2.263
  102   1HG   LYS  13          2HG       LYS  13   7.020   0.456   4.636
  103   2HG   LYS  13          3HG       LYS  13   5.457   0.213   3.859
  104   1HD   LYS  13          2HD       LYS  13   5.750  -2.233   3.947
  105   2HD   LYS  13          3HD       LYS  13   7.399  -2.028   4.583
  106   1HE   LYS  13          2HE       LYS  13   6.449  -0.853   6.576
  107   2HE   LYS  13          3HE       LYS  13   4.820  -1.131   5.950
  108   1HZ   LYS  13          1HZ       LYS  13   5.444  -2.800   7.583
  109   2HZ   LYS  13          2HZ       LYS  13   5.240  -3.528   6.139
  110   3HZ   LYS  13          3HZ       LYS  13   6.744  -3.254   6.719
  111    H    ALA  14           H        ALA  14   5.603   1.073   0.157
  112    HA   ALA  14           HA       ALA  14   2.937   1.127   1.097
  113   1HB   ALA  14          1HB       ALA  14   4.044   2.228  -1.520
  114   2HB   ALA  14          2HB       ALA  14   2.504   2.658  -0.754
  115   3HB   ALA  14          3HB       ALA  14   4.029   3.070   0.050
  116    H    LYS  15           H        LYS  15   4.318  -0.447  -1.865
  117    HA   LYS  15           HA       LYS  15   1.814  -1.396  -2.851
  118   1HB   LYS  15          2HB       LYS  15   4.668  -2.410  -3.168
  119   2HB   LYS  15          3HB       LYS  15   3.286  -3.185  -3.953
  120   1HG   LYS  15          2HG       LYS  15   2.709  -1.161  -5.140
  121   2HG   LYS  15          3HG       LYS  15   3.985  -0.240  -4.325
  122   1HD   LYS  15          2HD       LYS  15   5.707  -1.648  -5.383
  123   2HD   LYS  15          3HD       LYS  15   4.444  -2.654  -6.132
  124   1HE   LYS  15          2HE       LYS  15   3.581  -0.641  -7.333
  125   2HE   LYS  15          3HE       LYS  15   4.882   0.327  -6.635
  126   1HZ   LYS  15          1HZ       LYS  15   5.432  -0.427  -8.869
  127   2HZ   LYS  15          2HZ       LYS  15   6.472  -1.110  -7.813
  128   3HZ   LYS  15          3HZ       LYS  15   5.253  -1.989  -8.455
  129    H    GLU  16           H        GLU  16   4.136  -2.908  -0.555
  130    HA   GLU  16           HA       GLU  16   2.688  -5.324  -0.225
  131   1HB   GLU  16          2HB       GLU  16   5.062  -4.840   0.499
  132   2HB   GLU  16          3HB       GLU  16   4.424  -3.856   1.811
  133   1HG   GLU  16          2HG       GLU  16   4.968  -5.977   2.733
  134   2HG   GLU  16          3HG       GLU  16   3.215  -5.887   2.689
  135    H    LEU  17           H        LEU  17   2.576  -2.247   1.658
  136    HA   LEU  17           HA       LEU  17   0.542  -2.989   3.481
  137   1HB   LEU  17          2HB       LEU  17   1.343  -0.313   2.275
  138   2HB   LEU  17          3HB       LEU  17   0.074  -0.441   3.482
  139    HG   LEU  17           HG       LEU  17   2.902  -1.462   3.983
  140   1HD1  LEU  17          1HD1      LEU  17   3.262   0.656   5.235
  141   2HD1  LEU  17          2HD1      LEU  17   3.027   0.933   3.504
  142   3HD1  LEU  17          3HD1      LEU  17   1.703   1.260   4.641
  143   1HD2  LEU  17          1HD2      LEU  17   0.607  -0.762   5.866
  144   2HD2  LEU  17          2HD2      LEU  17   1.210  -2.397   5.503
  145   3HD2  LEU  17          3HD2      LEU  17   2.238  -1.251   6.362
  146    H    ALA  18           H        ALA  18   0.273  -1.432   0.266
  147    HA   ALA  18           HA       ALA  18  -2.509  -1.108   0.194
  148   1HB   ALA  18          1HB       ALA  18  -0.545  -1.510  -2.094
  149   2HB   ALA  18          2HB       ALA  18  -2.178  -0.839  -2.234
  150   3HB   ALA  18          3HB       ALA  18  -0.943   0.043  -1.322
  151    H    SER  19           H        SER  19  -0.756  -4.100  -0.027
  152    HA   SER  19           HA       SER  19  -3.148  -5.438  -1.203
  153   1HB   SER  19          2HB       SER  19  -1.504  -7.121  -2.078
  154   2HB   SER  19          3HB       SER  19  -1.435  -5.522  -2.825
  155    HG   SER  19           HG       SER  19   0.407  -5.042  -1.681
  156    H    SER  20           H        SER  20  -1.749  -4.893   1.709
  157    HA   SER  20           HA       SER  20  -1.645  -7.573   2.793
  158   1HB   SER  20          2HB       SER  20  -1.820  -4.815   4.069
  159   2HB   SER  20          3HB       SER  20  -1.560  -6.320   4.965
  160    HG   SER  20           HG       SER  20   0.130  -5.442   2.837
  161    H    ALA  21           H        ALA  21  -4.332  -5.555   1.932
  162    HA   ALA  21           HA       ALA  21  -6.220  -7.365   3.242
  163   1HB   ALA  21          1HB       ALA  21  -5.876  -5.659   4.989
  164   2HB   ALA  21          2HB       ALA  21  -6.125  -4.359   3.801
  165   3HB   ALA  21          3HB       ALA  21  -7.468  -5.406   4.260
  166    HA   PRO  22           HA       PRO  22  -8.329  -6.456  -0.547
  167   1HB   PRO  22          2HB       PRO  22 -11.017  -6.460   0.069
  168   2HB   PRO  22          3HB       PRO  22 -10.000  -7.930   0.016
  169   1HG   PRO  22          2HG       PRO  22 -10.727  -6.261   2.446
  170   2HG   PRO  22          3HG       PRO  22 -10.844  -8.042   2.252
  171   1HD   PRO  22          2HD       PRO  22  -8.728  -6.930   3.484
  172   2HD   PRO  22          3HD       PRO  22  -8.480  -8.289   2.355
  173    H    VAL  23           H        VAL  23  -8.703  -4.202   2.113
  174    HA   VAL  23           HA       VAL  23  -9.012  -2.026   0.180
  175    HB   VAL  23           HB       VAL  23 -10.659  -2.229   2.725
  176   1HG1  VAL  23          1HG1      VAL  23 -10.092   0.099   2.269
  177   2HG1  VAL  23          2HG1      VAL  23 -10.613  -0.064   0.588
  178   3HG1  VAL  23          3HG1      VAL  23 -11.797  -0.166   1.905
  179   1HG2  VAL  23          1HG2      VAL  23 -11.630  -2.456  -0.132
  180   2HG2  VAL  23          2HG2      VAL  23 -11.629  -3.714   1.117
  181   3HG2  VAL  23          3HG2      VAL  23 -12.654  -2.299   1.321
  182    H    VAL  24           H        VAL  24  -7.712  -0.274   0.848
  183    HA   VAL  24           HA       VAL  24  -6.469  -0.407   3.531
  184    HB   VAL  24           HB       VAL  24  -4.835  -0.145   0.972
  185   1HG1  VAL  24          1HG1      VAL  24  -4.001  -0.441   3.894
  186   2HG1  VAL  24          2HG1      VAL  24  -2.900  -0.419   2.504
  187   3HG1  VAL  24          3HG1      VAL  24  -3.832   1.020   2.895
  188   1HG2  VAL  24          1HG2      VAL  24  -3.905  -2.380   1.533
  189   2HG2  VAL  24          2HG2      VAL  24  -5.112  -2.556   2.806
  190   3HG2  VAL  24          3HG2      VAL  24  -5.593  -2.466   1.095
  191    H    VAL  25           H        VAL  25  -6.153   1.593   4.375
  192    HA   VAL  25           HA       VAL  25  -6.773   3.977   2.697
  193    HB   VAL  25           HB       VAL  25  -7.532   3.452   5.604
  194   1HG1  VAL  25          1HG1      VAL  25  -7.273   5.842   5.037
  195   2HG1  VAL  25          2HG1      VAL  25  -8.376   5.653   3.661
  196   3HG1  VAL  25          3HG1      VAL  25  -8.970   5.443   5.325
  197   1HG2  VAL  25          1HG2      VAL  25  -8.856   1.945   4.192
  198   2HG2  VAL  25          2HG2      VAL  25  -9.850   3.250   4.828
  199   3HG2  VAL  25          3HG2      VAL  25  -9.305   3.303   3.134
  200    H    PHE  26           H        PHE  26  -4.756   4.783   2.365
  201    HA   PHE  26           HA       PHE  26  -2.762   4.996   4.543
  202   1HB   PHE  26          2HB       PHE  26  -2.853   6.148   1.716
  203   2HB   PHE  26          3HB       PHE  26  -1.512   6.316   2.838
  204    HD1  PHE  26           1HD      PHE  26  -3.401   3.894   0.719
  205    HD2  PHE  26           2HD      PHE  26   0.077   4.505   3.192
  206    HE1  PHE  26           1HE      PHE  26  -2.448   1.743  -0.071
  207    HE2  PHE  26           2HE      PHE  26   1.017   2.359   2.406
  208    HZ   PHE  26           HZ       PHE  26  -0.241   0.976   0.782
  209    H    SER  27           H        SER  27  -2.843   6.764   5.952
  210    HA   SER  27           HA       SER  27  -4.410   9.159   5.244
  211   1HB   SER  27          2HB       SER  27  -5.984   8.744   7.079
  212   2HB   SER  27          3HB       SER  27  -6.055   7.439   5.905
  213    HG   SER  27           HG       SER  27  -4.511   6.335   7.398
  214    H    LYS  28           H        LYS  28  -4.730  10.260   7.685
  215    HA   LYS  28           HA       LYS  28  -2.178  10.078   9.164
  216   1HB   LYS  28          2HB       LYS  28  -3.577  12.638   8.303
  217   2HB   LYS  28          3HB       LYS  28  -2.378  12.573   9.603
  218   1HG   LYS  28          2HG       LYS  28  -0.700  11.653   8.016
  219   2HG   LYS  28          3HG       LYS  28  -1.887  11.779   6.710
  220   1HD   LYS  28          2HD       LYS  28  -2.049  14.277   7.281
  221   2HD   LYS  28          3HD       LYS  28  -0.621  14.060   8.294
  222   1HE   LYS  28          2HE       LYS  28  -0.807  13.423   5.306
  223   2HE   LYS  28          3HE       LYS  28  -0.168  14.926   5.964
  224   1HZ   LYS  28          1HZ       LYS  28   1.526  13.285   5.354
  225   2HZ   LYS  28          2HZ       LYS  28   1.646  13.736   6.930
  226   3HZ   LYS  28          3HZ       LYS  28   1.018  12.271   6.524
  227    H    THR  29           H        THR  29  -2.619  11.239  11.374
  228    HA   THR  29           HA       THR  29  -4.515   9.480  12.583
  229    HB   THR  29           HB       THR  29  -3.517  10.744  14.655
  230    HG1  THR  29           1HG      THR  29  -1.677  11.932  14.168
  231   1HG2  THR  29          1HG2      THR  29  -2.735   8.511  13.812
  232   2HG2  THR  29          2HG2      THR  29  -1.559   9.355  12.770
  233   3HG2  THR  29          3HG2      THR  29  -1.460   9.493  14.539
  234    H    TYR  30           H        TYR  30  -4.849  12.858  11.614
  235    HA   TYR  30           HA       TYR  30  -7.160  13.094  13.497
  236   1HB   TYR  30          2HB       TYR  30  -6.441  15.321  14.036
  237   2HB   TYR  30          3HB       TYR  30  -5.146  14.187  14.367
  238    HD1  TYR  30           1HD      TYR  30  -3.071  14.175  12.965
  239    HD2  TYR  30           2HD      TYR  30  -6.269  16.982  12.226
  240    HE1  TYR  30           1HE      TYR  30  -1.570  15.497  11.514
  241    HE2  TYR  30           2HE      TYR  30  -4.798  18.275  10.727
  242    HH   TYR  30           HH       TYR  30  -2.648  18.491   9.835
  243    H    CYS  31           H        CYS  31  -6.023  13.900  10.193
  244    HA   CYS  31           HA       CYS  31  -7.613  16.043   9.706
  245   1HB   CYS  31          2HB       CYS  31  -6.984  13.865   7.687
  246   2HB   CYS  31          3HB       CYS  31  -7.260  15.589   7.373
  247    H    GLY  32           H        GLY  32  -9.658  16.491   9.129
  248   1HA   GLY  32          1HA       GLY  32 -11.781  14.846   9.890
  249   2HA   GLY  32          2HA       GLY  32 -11.911  16.271   8.844
  250    H    TYR  33           H        TYR  33 -10.382  15.340   6.608
  251    HA   TYR  33           HA       TYR  33 -12.305  13.787   5.201
  252   1HB   TYR  33          2HB       TYR  33  -9.365  14.316   4.588
  253   2HB   TYR  33          3HB       TYR  33 -10.523  13.624   3.467
  254    HD1  TYR  33           1HD      TYR  33  -9.003  16.655   4.488
  255    HD2  TYR  33           2HD      TYR  33 -12.758  15.045   3.085
  256    HE1  TYR  33           1HE      TYR  33  -9.685  18.910   3.731
  257    HE2  TYR  33           2HE      TYR  33 -13.444  17.292   2.322
  258    HH   TYR  33           HH       TYR  33 -12.854  19.540   2.147
  259    H    CYS  34           H        CYS  34  -9.254  12.822   6.860
  260    HA   CYS  34           HA       CYS  34  -9.314  10.094   5.936
  261   1HB   CYS  34          2HB       CYS  34  -8.046  11.329   8.436
  262   2HB   CYS  34          3HB       CYS  34  -7.751   9.702   7.824
  263    HG   CYS  34           HG       CYS  34  -7.008  10.594   5.360
  264    H    ASN  35           H        ASN  35 -10.511  11.715   8.918
  265    HA   ASN  35           HA       ASN  35 -11.720   9.416  10.091
  266   1HB   ASN  35          2HB       ASN  35 -11.548  11.353  11.451
  267   2HB   ASN  35          3HB       ASN  35 -12.297  12.392  10.243
  268   1HD2  ASN  35          2HD2      ASN  35 -14.509  12.749  10.362
  269   2HD2  ASN  35          1HD2      ASN  35 -15.595  11.834  11.370
  270    H    ARG  36           H        ARG  36 -13.080  11.764   7.707
  271    HA   ARG  36           HA       ARG  36 -15.660  10.643   7.645
  272   1HB   ARG  36          2HB       ARG  36 -14.982  12.848   6.670
  273   2HB   ARG  36          3HB       ARG  36 -14.195  11.997   5.331
  274   1HG   ARG  36          2HG       ARG  36 -16.375  11.012   4.667
  275   2HG   ARG  36          3HG       ARG  36 -17.154  11.791   6.058
  276   1HD   ARG  36          2HD       ARG  36 -16.478  14.031   5.113
  277   2HD   ARG  36          3HD       ARG  36 -15.805  13.199   3.712
  278    HE   ARG  36           HE       ARG  36 -17.915  12.769   2.892
  279   1HH1  ARG  36          1HH2      ARG  36 -18.245  14.135   6.156
  280   2HH1  ARG  36          2HH2      ARG  36 -19.944  14.391   6.028
  281   1HH2  ARG  36          1HH1      ARG  36 -20.187  13.113   2.725
  282   2HH2  ARG  36          2HH1      ARG  36 -21.062  13.800   4.037
  283    H    VAL  37           H        VAL  37 -12.805   9.817   5.557
  284    HA   VAL  37           HA       VAL  37 -14.208   7.811   4.085
  285    HB   VAL  37           HB       VAL  37 -11.268   8.316   4.669
  286   1HG1  VAL  37          1HG1      VAL  37 -11.425   5.900   4.224
  287   2HG1  VAL  37          2HG1      VAL  37 -12.394   6.215   2.765
  288   3HG1  VAL  37          3HG1      VAL  37 -10.697   6.752   2.873
  289   1HG2  VAL  37          1HG2      VAL  37 -12.332   9.979   3.257
  290   2HG2  VAL  37          2HG2      VAL  37 -11.380   8.918   2.197
  291   3HG2  VAL  37          3HG2      VAL  37 -13.138   8.734   2.294
  292    H    LYS  38           H        LYS  38 -12.220   7.528   7.081
  293    HA   LYS  38           HA       LYS  38 -12.484   4.721   7.357
  294   1HB   LYS  38          2HB       LYS  38 -12.207   6.930   9.440
  295   2HB   LYS  38          3HB       LYS  38 -12.115   5.207   9.832
  296   1HG   LYS  38          2HG       LYS  38 -10.152   4.875   8.517
  297   2HG   LYS  38          3HG       LYS  38 -10.338   6.404   7.674
  298   1HD   LYS  38          2HD       LYS  38  -9.877   7.616   9.844
  299   2HD   LYS  38          3HD       LYS  38  -9.484   6.039  10.573
  300   1HE   LYS  38          2HE       LYS  38  -7.775   5.662   8.809
  301   2HE   LYS  38          3HE       LYS  38  -8.201   7.181   8.042
  302   1HZ   LYS  38          1HZ       LYS  38  -7.353   8.336  10.044
  303   2HZ   LYS  38          2HZ       LYS  38  -6.886   6.914  10.711
  304   3HZ   LYS  38          3HZ       LYS  38  -6.215   7.407   9.317
  305    H    GLN  39           H        GLN  39 -14.716   7.320   8.570
  306    HA   GLN  39           HA       GLN  39 -16.627   5.422   9.563
  307   1HB   GLN  39          2HB       GLN  39 -16.930   8.342   8.749
  308   2HB   GLN  39          3HB       GLN  39 -18.220   7.355   9.453
  309   1HG   GLN  39          2HG       GLN  39 -16.698   6.882  11.428
  310   2HG   GLN  39          3HG       GLN  39 -15.556   8.044  10.762
  311   1HE2  GLN  39          2HE2      GLN  39 -15.676   9.707  12.303
  312   2HE2  GLN  39          1HE2      GLN  39 -17.180  10.467  12.800
  313    H    LEU  40           H        LEU  40 -16.249   6.903   6.310
  314    HA   LEU  40           HA       LEU  40 -18.717   6.137   5.204
  315   1HB   LEU  40          2HB       LEU  40 -16.835   7.624   4.236
  316   2HB   LEU  40          3HB       LEU  40 -16.045   6.136   3.745
  317    HG   LEU  40           HG       LEU  40 -18.158   5.620   2.352
  318   1HD1  LEU  40          1HD1      LEU  40 -19.495   7.661   1.758
  319   2HD1  LEU  40          2HD1      LEU  40 -19.762   7.127   3.423
  320   3HD1  LEU  40          3HD1      LEU  40 -18.722   8.532   3.092
  321   1HD2  LEU  40          1HD2      LEU  40 -16.067   6.409   1.381
  322   2HD2  LEU  40          2HD2      LEU  40 -17.455   7.132   0.564
  323   3HD2  LEU  40          3HD2      LEU  40 -16.511   8.093   1.730
  324    H    LEU  41           H        LEU  41 -15.598   4.381   5.278
  325    HA   LEU  41           HA       LEU  41 -16.585   1.991   4.000
  326   1HB   LEU  41          2HB       LEU  41 -14.136   2.620   5.699
  327   2HB   LEU  41          3HB       LEU  41 -14.403   1.047   4.961
  328    HG   LEU  41           HG       LEU  41 -14.236   3.639   3.363
  329   1HD1  LEU  41          1HD1      LEU  41 -11.964   2.907   2.763
  330   2HD1  LEU  41          2HD1      LEU  41 -12.129   3.180   4.504
  331   3HD1  LEU  41          3HD1      LEU  41 -12.109   1.521   3.870
  332   1HD2  LEU  41          1HD2      LEU  41 -14.186   0.709   2.500
  333   2HD2  LEU  41          2HD2      LEU  41 -15.457   1.897   2.142
  334   3HD2  LEU  41          3HD2      LEU  41 -13.852   2.094   1.438
  335    H    THR  42           H        THR  42 -16.175   2.957   7.436
  336    HA   THR  42           HA       THR  42 -16.849   0.445   8.558
  337    HB   THR  42           HB       THR  42 -17.360   3.247   9.645
  338    HG1  THR  42           1HG      THR  42 -15.237   3.038   9.238
  339   1HG2  THR  42          1HG2      THR  42 -17.133   0.574  11.094
  340   2HG2  THR  42          2HG2      THR  42 -17.160   2.174  11.876
  341   3HG2  THR  42          3HG2      THR  42 -18.579   1.607  10.985
  342    H    GLN  43           H        GLN  43 -18.983   3.144   7.465
  343    HA   GLN  43           HA       GLN  43 -21.328   2.059   8.632
  344   1HB   GLN  43          2HB       GLN  43 -20.830   4.061   6.409
  345   2HB   GLN  43          3HB       GLN  43 -22.475   3.590   6.854
  346   1HG   GLN  43          2HG       GLN  43 -22.248   4.382   9.095
  347   2HG   GLN  43          3HG       GLN  43 -20.504   4.583   8.947
  348   1HE2  GLN  43          2HE2      GLN  43 -19.700   6.213   7.420
  349   2HE2  GLN  43          1HE2      GLN  43 -20.647   7.668   7.121
  350    H    VAL  44           H        VAL  44 -19.884   1.439   5.394
  351    HA   VAL  44           HA       VAL  44 -22.155  -0.277   4.659
  352    HB   VAL  44           HB       VAL  44 -20.801  -0.813   2.657
  353   1HG1  VAL  44          1HG1      VAL  44 -22.427   1.045   2.681
  354   2HG1  VAL  44          2HG1      VAL  44 -21.133   2.170   3.161
  355   3HG1  VAL  44          3HG1      VAL  44 -21.072   1.345   1.585
  356   1HG2  VAL  44          1HG2      VAL  44 -18.823   1.260   3.693
  357   2HG2  VAL  44          2HG2      VAL  44 -18.516  -0.484   3.556
  358   3HG2  VAL  44          3HG2      VAL  44 -18.814   0.488   2.105
  359    H    GLY  45           H        GLY  45 -19.630  -0.691   6.836
  360   1HA   GLY  45          1HA       GLY  45 -18.916  -2.526   7.961
  361   2HA   GLY  45          2HA       GLY  45 -20.088  -3.515   7.070
  362    H    ALA  46           H        ALA  46 -17.465  -1.511   5.610
  363    HA   ALA  46           HA       ALA  46 -16.484  -3.782   4.080
  364   1HB   ALA  46          1HB       ALA  46 -16.384  -1.469   3.171
  365   2HB   ALA  46          2HB       ALA  46 -15.324  -0.994   4.515
  366   3HB   ALA  46          3HB       ALA  46 -14.763  -2.174   3.317
  367    H    SER  47           H        SER  47 -14.613  -4.869   4.396
  368    HA   SER  47           HA       SER  47 -13.220  -4.738   7.010
  369   1HB   SER  47          2HB       SER  47 -12.724  -6.582   4.626
  370   2HB   SER  47          3HB       SER  47 -12.198  -6.807   6.302
  371    HG   SER  47           HG       SER  47 -14.824  -6.909   5.215
  372    H    TYR  48           H        TYR  48 -11.499  -3.247   7.101
  373    HA   TYR  48           HA       TYR  48  -9.861  -2.864   4.689
  374   1HB   TYR  48          2HB       TYR  48 -10.072  -0.479   4.676
  375   2HB   TYR  48          3HB       TYR  48 -11.667  -1.183   4.503
  376    HD1  TYR  48           1HD      TYR  48  -9.530   0.979   6.524
  377    HD2  TYR  48           2HD      TYR  48 -13.328  -1.050   6.371
  378    HE1  TYR  48           1HE      TYR  48 -10.388   2.420   8.357
  379    HE2  TYR  48           2HE      TYR  48 -14.185   0.379   8.206
  380    HH   TYR  48           HH       TYR  48 -13.670   2.081   9.721
  381    H    LYS  49           H        LYS  49  -7.850  -2.010   5.034
  382    HA   LYS  49           HA       LYS  49  -6.807  -2.071   7.828
  383   1HB   LYS  49          2HB       LYS  49  -5.767  -3.586   6.192
  384   2HB   LYS  49          3HB       LYS  49  -5.456  -2.239   5.091
  385   1HG   LYS  49          2HG       LYS  49  -3.850  -1.275   6.687
  386   2HG   LYS  49          3HG       LYS  49  -4.237  -2.552   7.864
  387   1HD   LYS  49          2HD       LYS  49  -3.379  -4.256   6.243
  388   2HD   LYS  49          3HD       LYS  49  -3.042  -2.963   5.084
  389   1HE   LYS  49          2HE       LYS  49  -0.969  -3.538   6.143
  390   2HE   LYS  49          3HE       LYS  49  -1.445  -1.931   6.697
  391   1HZ   LYS  49          1HZ       LYS  49  -0.648  -3.332   8.511
  392   2HZ   LYS  49          2HZ       LYS  49  -2.206  -2.947   8.773
  393   3HZ   LYS  49          3HZ       LYS  49  -1.805  -4.443   8.244
  394    H    VAL  50           H        VAL  50  -5.354  -0.301   8.428
  395    HA   VAL  50           HA       VAL  50  -5.700   2.205   6.875
  396    HB   VAL  50           HB       VAL  50  -5.933   1.878   9.899
  397   1HG1  VAL  50          1HG1      VAL  50  -4.915   4.041   9.305
  398   2HG1  VAL  50          2HG1      VAL  50  -6.216   4.360   8.143
  399   3HG1  VAL  50          3HG1      VAL  50  -6.551   4.275   9.898
  400   1HG2  VAL  50          1HG2      VAL  50  -8.006   1.111   8.840
  401   2HG2  VAL  50          2HG2      VAL  50  -8.272   2.678   9.598
  402   3HG2  VAL  50          3HG2      VAL  50  -8.058   2.578   7.833
  403    H    VAL  51           H        VAL  51  -3.888   3.558   6.975
  404    HA   VAL  51           HA       VAL  51  -1.584   2.735   8.635
  405    HB   VAL  51           HB       VAL  51  -1.182   3.858   5.842
  406   1HG1  VAL  51          1HG1      VAL  51   1.064   2.996   6.117
  407   2HG1  VAL  51          2HG1      VAL  51   0.653   3.882   7.590
  408   3HG1  VAL  51          3HG1      VAL  51   0.609   2.112   7.591
  409   1HG2  VAL  51          1HG2      VAL  51  -0.646   1.594   4.985
  410   2HG2  VAL  51          2HG2      VAL  51  -1.308   0.880   6.475
  411   3HG2  VAL  51          3HG2      VAL  51  -2.356   1.776   5.349
  412    H    GLU  52           H        GLU  52  -0.980   4.551   9.828
  413    HA   GLU  52           HA       GLU  52  -2.252   7.150   9.089
  414   1HB   GLU  52          2HB       GLU  52  -1.697   6.110  11.889
  415   2HB   GLU  52          3HB       GLU  52  -2.450   7.653  11.421
  416   1HG   GLU  52          2HG       GLU  52  -4.213   6.277  10.189
  417   2HG   GLU  52          3HG       GLU  52  -3.558   4.853  11.001
  418    H    LEU  53           H        LEU  53  -0.572   7.723   7.818
  419    HA   LEU  53           HA       LEU  53   2.114   7.142   8.198
  420   1HB   LEU  53          2HB       LEU  53   0.654   9.172   6.509
  421   2HB   LEU  53          3HB       LEU  53   2.412   9.188   6.589
  422    HG   LEU  53           HG       LEU  53   2.544   6.857   5.842
  423   1HD1  LEU  53          1HD1      LEU  53   0.397   5.952   6.605
  424   2HD1  LEU  53          2HD1      LEU  53  -0.478   7.010   5.470
  425   3HD1  LEU  53          3HD1      LEU  53   0.597   5.717   4.882
  426   1HD2  LEU  53          1HD2      LEU  53   0.914   8.702   4.046
  427   2HD2  LEU  53          2HD2      LEU  53   2.686   8.616   4.202
  428   3HD2  LEU  53          3HD2      LEU  53   1.800   7.267   3.489
  429    H    ASP  54           H        ASP  54   0.334   9.890   9.579
  430    HA   ASP  54           HA       ASP  54   2.582  11.542  10.090
  431   1HB   ASP  54          2HB       ASP  54   0.212  12.276  10.277
  432   2HB   ASP  54          3HB       ASP  54   0.018  11.271  11.717
  433    H    GLU  55           H        GLU  55   1.604   8.571  11.670
  434    HA   GLU  55           HA       GLU  55   3.643   8.994  13.821
  435   1HB   GLU  55          2HB       GLU  55   1.032   7.443  13.734
  436   2HB   GLU  55          3HB       GLU  55   2.271   7.079  14.930
  437   1HG   GLU  55          2HG       GLU  55   1.050   9.849  14.594
  438   2HG   GLU  55          3HG       GLU  55   0.450   8.625  15.707
  439    H    LEU  56           H        LEU  56   3.350   7.598  10.835
  440    HA   LEU  56           HA       LEU  56   4.495   4.968  11.423
  441   1HB   LEU  56          2HB       LEU  56   3.008   5.385   9.462
  442   2HB   LEU  56          3HB       LEU  56   4.208   6.516   8.818
  443    HG   LEU  56           HG       LEU  56   5.844   4.668   8.594
  444   1HD1  LEU  56          1HD1      LEU  56   3.532   2.884   9.499
  445   2HD1  LEU  56          2HD1      LEU  56   5.048   2.310   8.774
  446   3HD1  LEU  56          3HD1      LEU  56   5.080   3.104  10.346
  447   1HD2  LEU  56          1HD2      LEU  56   4.713   3.551   6.710
  448   2HD2  LEU  56          2HD2      LEU  56   3.142   4.160   7.274
  449   3HD2  LEU  56          3HD2      LEU  56   4.398   5.290   6.716
  450    H    SER  57           H        SER  57   6.686   4.459  11.320
  451    HA   SER  57           HA       SER  57   8.529   6.306  12.083
  452   1HB   SER  57          2HB       SER  57   9.186   3.722  10.632
  453   2HB   SER  57          3HB       SER  57  10.099   4.506  11.935
  454    HG   SER  57           HG       SER  57   8.840   2.751  12.700
  455    H    ASP  58           H        ASP  58   7.629   5.676   8.753
  456    HA   ASP  58           HA       ASP  58   9.733   7.543   7.826
  457   1HB   ASP  58          2HB       ASP  58  10.431   6.211   6.121
  458   2HB   ASP  58          3HB       ASP  58  10.221   5.031   7.401
  459    H    GLY  59           H        GLY  59   6.826   7.787   8.505
  460   1HA   GLY  59          1HA       GLY  59   4.928   7.710   6.628
  461   2HA   GLY  59          2HA       GLY  59   5.106   9.060   7.756
  462    H    SER  60           H        SER  60   7.050  10.669   6.872
  463    HA   SER  60           HA       SER  60   5.898  11.989   4.737
  464   1HB   SER  60          2HB       SER  60   8.833  12.215   5.473
  465   2HB   SER  60          3HB       SER  60   7.759  13.478   4.849
  466    HG   SER  60           HG       SER  60   8.063  13.652   7.112
  467    H    GLN  61           H        GLN  61   8.636   9.645   4.548
  468    HA   GLN  61           HA       GLN  61   8.952  10.187   1.676
  469   1HB   GLN  61          2HB       GLN  61  10.544   8.383   1.625
  470   2HB   GLN  61          3HB       GLN  61  10.950   9.592   2.848
  471   1HG   GLN  61          2HG       GLN  61  10.336   8.114   4.636
  472   2HG   GLN  61          3HG       GLN  61   9.582   6.975   3.512
  473   1HE2  GLN  61          2HE2      GLN  61  10.796   5.173   3.962
  474   2HE2  GLN  61          1HE2      GLN  61  12.524   5.068   3.609
  475    H    LEU  62           H        LEU  62   7.285   7.848   3.751
  476    HA   LEU  62           HA       LEU  62   6.407   6.101   1.708
  477   1HB   LEU  62          2HB       LEU  62   6.251   6.079   4.376
  478   2HB   LEU  62          3HB       LEU  62   4.670   6.774   4.097
  479    HG   LEU  62           HG       LEU  62   4.688   4.351   4.479
  480   1HD1  LEU  62          1HD1      LEU  62   3.782   4.954   1.644
  481   2HD1  LEU  62          2HD1      LEU  62   3.211   3.637   2.683
  482   3HD1  LEU  62          3HD1      LEU  62   2.853   5.312   3.119
  483   1HD2  LEU  62          1HD2      LEU  62   5.556   2.737   2.950
  484   2HD2  LEU  62          2HD2      LEU  62   6.050   3.988   1.800
  485   3HD2  LEU  62          3HD2      LEU  62   6.868   3.853   3.374
  486    H    GLN  63           H        GLN  63   4.891   9.133   2.973
  487    HA   GLN  63           HA       GLN  63   2.730   9.073   1.119
  488   1HB   GLN  63          2HB       GLN  63   3.006  10.567   3.239
  489   2HB   GLN  63          3HB       GLN  63   3.934  11.649   2.194
  490   1HG   GLN  63          2HG       GLN  63   1.974  11.689   0.605
  491   2HG   GLN  63          3HG       GLN  63   1.066  10.676   1.726
  492   1HE2  GLN  63          2HE2      GLN  63   0.235  13.205   0.772
  493   2HE2  GLN  63          1HE2      GLN  63   0.182  14.333   2.123
  494    H    SER  64           H        SER  64   6.049  10.447   0.911
  495    HA   SER  64           HA       SER  64   5.717  11.697  -1.625
  496   1HB   SER  64          2HB       SER  64   8.240  10.436  -0.475
  497   2HB   SER  64          3HB       SER  64   8.149  11.637  -1.768
  498    HG   SER  64           HG       SER  64   7.356  11.983   0.961
  499    H    ALA  65           H        ALA  65   6.549   8.289  -0.783
  500    HA   ALA  65           HA       ALA  65   6.929   7.412  -3.469
  501   1HB   ALA  65          1HB       ALA  65   7.654   6.107  -1.496
  502   2HB   ALA  65          2HB       ALA  65   5.953   5.820  -1.056
  503   3HB   ALA  65          3HB       ALA  65   6.600   5.171  -2.571
  504    H    LEU  66           H        LEU  66   3.989   7.519  -1.367
  505    HA   LEU  66           HA       LEU  66   2.169   6.481  -3.280
  506   1HB   LEU  66          2HB       LEU  66   1.939   8.195  -0.834
  507   2HB   LEU  66          3HB       LEU  66   0.647   8.389  -1.992
  508    HG   LEU  66           HG       LEU  66   0.073   6.807  -0.249
  509   1HD1  LEU  66          1HD1      LEU  66  -0.771   4.988  -1.616
  510   2HD1  LEU  66          2HD1      LEU  66  -0.976   6.538  -2.452
  511   3HD1  LEU  66          3HD1      LEU  66   0.308   5.416  -2.950
  512   1HD2  LEU  66          1HD2      LEU  66   2.306   5.038  -1.319
  513   2HD2  LEU  66          2HD2      LEU  66   2.283   5.895   0.235
  514   3HD2  LEU  66          3HD2      LEU  66   1.113   4.607  -0.072
  515    H    ALA  67           H        ALA  67   3.236   9.904  -2.786
  516    HA   ALA  67           HA       ALA  67   1.612  10.933  -4.852
  517   1HB   ALA  67          1HB       ALA  67   4.320  11.985  -3.894
  518   2HB   ALA  67          2HB       ALA  67   3.082  12.910  -4.763
  519   3HB   ALA  67          3HB       ALA  67   2.764  12.332  -3.114
  520    H    HIS  68           H        HIS  68   4.991   9.791  -5.018
  521    HA   HIS  68           HA       HIS  68   5.432  10.226  -7.776
  522   1HB   HIS  68          2HB       HIS  68   7.329   9.666  -6.570
  523   2HB   HIS  68          3HB       HIS  68   6.512   8.441  -5.614
  524    HD1  HIS  68           1HD      HIS  68   8.190   8.750  -9.075
  525    HD2  HIS  68           2HD      HIS  68   6.439   5.971  -6.432
  526    HE1  HIS  68           1HE      HIS  68   8.705   6.443 -10.023
  527    H    TRP  69           H        TRP  69   3.920   7.447  -6.087
  528    HA   TRP  69           HA       TRP  69   3.732   5.812  -8.413
  529   1HB   TRP  69          2HB       TRP  69   3.944   5.087  -6.065
  530   2HB   TRP  69          3HB       TRP  69   2.349   5.715  -5.702
  531    HD1  TRP  69           HD1      TRP  69   2.589   3.682  -8.907
  532    HE1  TRP  69           HE1      TRP  69   1.542   1.412  -8.566
  533    HE3  TRP  69           HE3      TRP  69   2.067   3.822  -3.820
  534    HZ2  TRP  69           HZ2      TRP  69   0.470  -0.162  -6.350
  535    HZ3  TRP  69           HZ3      TRP  69   1.027   1.911  -2.614
  536    HH2  TRP  69           HH2      TRP  69   0.217  -0.068  -3.875
  537    H    THR  70           H        THR  70   1.336   7.873  -6.705
  538    HA   THR  70           HA       THR  70  -0.805   6.938  -8.509
  539    HB   THR  70           HB       THR  70  -2.276   8.046  -6.887
  540    HG1  THR  70           1HG      THR  70   0.044   8.662  -5.378
  541   1HG2  THR  70          1HG2      THR  70  -1.807   6.713  -4.889
  542   2HG2  THR  70          2HG2      THR  70  -1.589   5.744  -6.362
  543   3HG2  THR  70          3HG2      THR  70  -0.177   6.338  -5.470
  544    H    GLY  71           H        GLY  71   1.162   9.833  -8.009
  545   1HA   GLY  71          1HA       GLY  71   1.182  11.839  -9.112
  546   2HA   GLY  71          2HA       GLY  71  -0.149  11.305 -10.158
  547    H    ARG  72           H        ARG  72  -0.971  10.723  -6.876
  548    HA   ARG  72           HA       ARG  72  -2.059  13.369  -6.279
  549   1HB   ARG  72          2HB       ARG  72  -3.722  12.266  -7.875
  550   2HB   ARG  72          3HB       ARG  72  -3.951  11.001  -6.672
  551   1HG   ARG  72          2HG       ARG  72  -4.241  13.524  -5.305
  552   2HG   ARG  72          3HG       ARG  72  -5.093  13.696  -6.830
  553   1HD   ARG  72          2HD       ARG  72  -5.548  11.473  -4.793
  554   2HD   ARG  72          3HD       ARG  72  -6.504  12.947  -4.942
  555    HE   ARG  72           HE       ARG  72  -6.272  11.180  -7.316
  556   1HH1  ARG  72          1HH2      ARG  72  -8.364  12.504  -4.757
  557   2HH1  ARG  72          2HH2      ARG  72  -9.807  11.778  -5.405
  558   1HH2  ARG  72          1HH1      ARG  72  -8.239  10.227  -8.127
  559   2HH2  ARG  72          2HH1      ARG  72  -9.717  10.450  -7.248
  560    H    GLY  73           H        GLY  73  -0.194  12.583  -4.787
  561   1HA   GLY  73          1HA       GLY  73  -0.777  10.447  -2.903
  562   2HA   GLY  73          2HA       GLY  73   0.625  11.517  -2.894
  563    H    THR  74           H        THR  74  -2.828  12.515  -2.790
  564    HA   THR  74           HA       THR  74  -2.473  14.156  -0.420
  565    HB   THR  74           HB       THR  74  -5.064  14.210  -0.745
  566    HG1  THR  74           1HG      THR  74  -5.406  12.446  -2.034
  567   1HG2  THR  74          1HG2      THR  74  -3.570  16.014  -1.519
  568   2HG2  THR  74          2HG2      THR  74  -3.266  15.133  -3.033
  569   3HG2  THR  74          3HG2      THR  74  -4.895  15.738  -2.661
  570    H    VAL  75           H        VAL  75  -4.103  13.749   1.446
  571    HA   VAL  75           HA       VAL  75  -4.458  10.854   1.941
  572    HB   VAL  75           HB       VAL  75  -4.257  11.281   4.361
  573   1HG1  VAL  75          1HG1      VAL  75  -1.820  11.122   4.407
  574   2HG1  VAL  75          2HG1      VAL  75  -2.474  10.190   3.055
  575   3HG1  VAL  75          3HG1      VAL  75  -1.719  11.767   2.753
  576   1HG2  VAL  75          1HG2      VAL  75  -2.850  13.881   3.607
  577   2HG2  VAL  75          2HG2      VAL  75  -4.459  13.776   4.359
  578   3HG2  VAL  75          3HG2      VAL  75  -3.056  13.182   5.230
  579    HA   PRO  76           HA       PRO  76  -5.805   9.577   3.283
  580   1HB   PRO  76          2HB       PRO  76  -8.133   8.235   2.767
  581   2HB   PRO  76          3HB       PRO  76  -7.825   9.077   4.311
  582   1HG   PRO  76          2HG       PRO  76  -9.356  10.082   1.897
  583   2HG   PRO  76          3HG       PRO  76  -9.834  10.165   3.625
  584   1HD   PRO  76          2HD       PRO  76  -8.694  12.268   2.286
  585   2HD   PRO  76          3HD       PRO  76  -8.404  11.980   4.024
  586    H    ASN  77           H        ASN  77  -5.531   7.739   1.857
  587    HA   ASN  77           HA       ASN  77  -6.105   8.149  -1.040
  588   1HB   ASN  77          2HB       ASN  77  -3.518   8.292   0.095
  589   2HB   ASN  77          3HB       ASN  77  -3.643   6.620  -0.439
  590   1HD2  ASN  77          2HD2      ASN  77  -3.418   9.945  -1.426
  591   2HD2  ASN  77          1HD2      ASN  77  -3.332   9.677  -3.154
  592    H    VAL  78           H        VAL  78  -7.315   6.393  -1.718
  593    HA   VAL  78           HA       VAL  78  -7.484   4.111   0.195
  594    HB   VAL  78           HB       VAL  78  -9.710   5.211  -1.557
  595   1HG1  VAL  78          1HG1      VAL  78 -11.134   3.879   0.053
  596   2HG1  VAL  78          2HG1      VAL  78 -10.059   2.872  -0.916
  597   3HG1  VAL  78          3HG1      VAL  78  -9.652   3.232   0.774
  598   1HG2  VAL  78          1HG2      VAL  78  -9.145   5.752   1.391
  599   2HG2  VAL  78          2HG2      VAL  78  -9.171   6.956   0.082
  600   3HG2  VAL  78          3HG2      VAL  78 -10.661   6.148   0.553
  601    H    PHE  79           H        PHE  79  -7.429   2.103  -0.548
  602    HA   PHE  79           HA       PHE  79  -7.156   1.581  -3.464
  603   1HB   PHE  79          2HB       PHE  79  -5.549   0.495  -1.105
  604   2HB   PHE  79          3HB       PHE  79  -5.594  -0.283  -2.672
  605    HD1  PHE  79           1HD      PHE  79  -4.856   3.157  -1.234
  606    HD2  PHE  79           2HD      PHE  79  -3.814   0.104  -4.106
  607    HE1  PHE  79           1HE      PHE  79  -2.982   4.544  -2.032
  608    HE2  PHE  79           2HE      PHE  79  -1.897   1.477  -4.850
  609    HZ   PHE  79           HZ       PHE  79  -1.467   3.695  -3.820
  610    H    ILE  80           H        ILE  80  -8.197  -0.308  -4.113
  611    HA   ILE  80           HA       ILE  80  -9.429  -2.051  -2.084
  612    HB   ILE  80           HB       ILE  80 -10.985  -0.802  -4.394
  613   1HG1  ILE  80          2HG1      ILE  80 -11.479  -0.623  -1.396
  614   2HG1  ILE  80          3HG1      ILE  80 -10.800   0.668  -2.375
  615   1HG2  ILE  80          1HG2      ILE  80 -11.564  -3.132  -4.238
  616   2HG2  ILE  80          2HG2      ILE  80 -11.717  -3.044  -2.465
  617   3HG2  ILE  80          3HG2      ILE  80 -12.882  -2.235  -3.521
  618   1HD1  ILE  80          1HD1      ILE  80 -13.629  -0.413  -2.589
  619   2HD1  ILE  80          2HD1      ILE  80 -13.099   1.151  -1.965
  620   3HD1  ILE  80          3HD1      ILE  80 -12.909   0.782  -3.688
  621    H    GLY  81           H        GLY  81  -9.236  -4.166  -2.746
  622   1HA   GLY  81          1HA       GLY  81  -8.476  -5.968  -3.926
  623   2HA   GLY  81          2HA       GLY  81  -9.055  -5.141  -5.382
  624    H    GLY  82           H        GLY  82  -6.497  -3.810  -3.283
  625   1HA   GLY  82          1HA       GLY  82  -4.262  -3.488  -3.597
  626   2HA   GLY  82          2HA       GLY  82  -4.261  -4.787  -4.796
  627    H    LYS  83           H        LYS  83  -6.491  -2.112  -5.424
  628    HA   LYS  83           HA       LYS  83  -4.528  -0.860  -7.293
  629   1HB   LYS  83          2HB       LYS  83  -6.134  -2.345  -8.479
  630   2HB   LYS  83          3HB       LYS  83  -7.482  -1.510  -7.712
  631   1HG   LYS  83          2HG       LYS  83  -7.274  -0.778  -9.983
  632   2HG   LYS  83          3HG       LYS  83  -6.902   0.572  -8.916
  633   1HD   LYS  83          2HD       LYS  83  -4.462   0.195  -9.301
  634   2HD   LYS  83          3HD       LYS  83  -4.836  -1.160 -10.369
  635   1HE   LYS  83          2HE       LYS  83  -5.736   1.732 -10.798
  636   2HE   LYS  83          3HE       LYS  83  -4.298   1.014 -11.528
  637   1HZ   LYS  83          1HZ       LYS  83  -6.145   0.959 -13.053
  638   2HZ   LYS  83          2HZ       LYS  83  -5.734  -0.568 -12.674
  639   3HZ   LYS  83          3HZ       LYS  83  -7.075   0.110 -12.023
  640    H    GLN  84           H        GLN  84  -4.490   1.394  -7.182
  641    HA   GLN  84           HA       GLN  84  -5.773   2.656  -4.946
  642   1HB   GLN  84          2HB       GLN  84  -3.558   3.296  -6.033
  643   2HB   GLN  84          3HB       GLN  84  -4.456   4.024  -7.341
  644   1HG   GLN  84          2HG       GLN  84  -5.233   4.827  -4.522
  645   2HG   GLN  84          3HG       GLN  84  -3.640   5.287  -5.055
  646   1HE2  GLN  84          2HE2      GLN  84  -4.526   7.469  -4.647
  647   2HE2  GLN  84          1HE2      GLN  84  -5.305   8.287  -5.997
  648    H    ILE  85           H        ILE  85  -7.645   3.829  -4.876
  649    HA   ILE  85           HA       ILE  85  -9.368   3.797  -7.314
  650    HB   ILE  85           HB       ILE  85 -10.099   4.065  -4.370
  651   1HG1  ILE  85          2HG1      ILE  85  -9.293   1.838  -4.640
  652   2HG1  ILE  85          3HG1      ILE  85 -11.039   1.779  -4.583
  653   1HG2  ILE  85          1HG2      ILE  85 -12.420   3.628  -5.141
  654   2HG2  ILE  85          2HG2      ILE  85 -11.771   5.144  -5.770
  655   3HG2  ILE  85          3HG2      ILE  85 -11.863   3.722  -6.829
  656   1HD1  ILE  85          1HD1      ILE  85 -11.079   1.526  -7.095
  657   2HD1  ILE  85          2HD1      ILE  85  -9.304   1.460  -7.071
  658   3HD1  ILE  85          3HD1      ILE  85 -10.241   0.210  -6.251
  659    H    GLY  86           H        GLY  86  -8.266   5.890  -4.559
  660   1HA   GLY  86          1HA       GLY  86  -7.836   8.232  -5.894
  661   2HA   GLY  86          2HA       GLY  86  -9.590   8.217  -5.657
  662    H    GLY  87           H        GLY  87  -9.621   9.875  -4.184
  663   1HA   GLY  87          1HA       GLY  87  -8.513   9.327  -1.464
  664   2HA   GLY  87          2HA       GLY  87  -8.508  10.944  -2.183
  665    H    CYS  88           H        CYS  88  -9.815  11.464  -0.248
  666    HA   CYS  88           HA       CYS  88 -12.163  10.259   0.560
  667   1HB   CYS  88          2HB       CYS  88 -12.721  12.602   1.481
  668   2HB   CYS  88          3HB       CYS  88 -11.212  11.858   2.011
  669    HG   CYS  88           HG       CYS  88 -10.928  14.483   1.624
  670    H    ASP  89           H        ASP  89 -12.012  13.077  -1.673
  671    HA   ASP  89           HA       ASP  89 -14.803  13.224  -2.055
  672   1HB   ASP  89          2HB       ASP  89 -13.273  15.023  -2.708
  673   2HB   ASP  89          3HB       ASP  89 -12.538  13.992  -3.941
  674    H    THR  90           H        THR  90 -12.382  11.215  -3.774
  675    HA   THR  90           HA       THR  90 -14.126  10.361  -5.851
  676    HB   THR  90           HB       THR  90 -11.782   8.817  -4.675
  677    HG1  THR  90           1HG      THR  90 -11.837  11.092  -6.350
  678   1HG2  THR  90          1HG2      THR  90 -13.030   8.976  -7.443
  679   2HG2  THR  90          2HG2      THR  90 -11.456   8.222  -7.108
  680   3HG2  THR  90          3HG2      THR  90 -12.925   7.560  -6.373
  681    H    VAL  91           H        VAL  91 -13.299   8.822  -2.634
  682    HA   VAL  91           HA       VAL  91 -15.120   6.648  -3.223
  683    HB   VAL  91           HB       VAL  91 -14.829   5.984  -0.863
  684   1HG1  VAL  91          1HG1      VAL  91 -13.322   5.219  -2.696
  685   2HG1  VAL  91          2HG1      VAL  91 -12.223   6.573  -2.350
  686   3HG1  VAL  91          3HG1      VAL  91 -12.502   5.310  -1.135
  687   1HG2  VAL  91          1HG2      VAL  91 -14.424   8.213   0.182
  688   2HG2  VAL  91          2HG2      VAL  91 -13.170   7.023   0.554
  689   3HG2  VAL  91          3HG2      VAL  91 -12.853   8.290  -0.640
  690    H    VAL  92           H        VAL  92 -15.555   9.796  -1.536
  691    HA   VAL  92           HA       VAL  92 -18.169   9.117  -0.546
  692    HB   VAL  92           HB       VAL  92 -16.697  11.728  -1.086
  693   1HG1  VAL  92          1HG1      VAL  92 -18.421  12.849   0.345
  694   2HG1  VAL  92          2HG1      VAL  92 -19.013  12.356  -1.231
  695   3HG1  VAL  92          3HG1      VAL  92 -19.437  11.390   0.205
  696   1HG2  VAL  92          1HG2      VAL  92 -15.892  10.245   0.802
  697   2HG2  VAL  92          2HG2      VAL  92 -16.470  11.818   1.337
  698   3HG2  VAL  92          3HG2      VAL  92 -17.497  10.377   1.538
  699    H    GLU  93           H        GLU  93 -17.008  10.512  -3.691
  700    HA   GLU  93           HA       GLU  93 -19.608  10.969  -4.790
  701   1HB   GLU  93          2HB       GLU  93 -17.441  11.853  -5.705
  702   2HB   GLU  93          3HB       GLU  93 -17.009  10.214  -6.192
  703   1HG   GLU  93          2HG       GLU  93 -19.476  10.450  -7.393
  704   2HG   GLU  93          3HG       GLU  93 -18.986  12.134  -7.371
  705    H    LYS  94           H        LYS  94 -17.357   8.143  -5.073
  706    HA   LYS  94           HA       LYS  94 -19.169   6.557  -6.613
  707   1HB   LYS  94          2HB       LYS  94 -16.842   5.783  -4.805
  708   2HB   LYS  94          3HB       LYS  94 -17.701   4.643  -5.856
  709   1HG   LYS  94          2HG       LYS  94 -17.047   5.880  -7.851
  710   2HG   LYS  94          3HG       LYS  94 -16.333   7.162  -6.891
  711   1HD   LYS  94          2HD       LYS  94 -14.481   5.901  -7.591
  712   2HD   LYS  94          3HD       LYS  94 -14.734   5.437  -5.917
  713   1HE   LYS  94          2HE       LYS  94 -14.304   3.406  -7.016
  714   2HE   LYS  94          3HE       LYS  94 -16.057   3.406  -6.816
  715   1HZ   LYS  94          1HZ       LYS  94 -14.617   4.156  -9.308
  716   2HZ   LYS  94          2HZ       LYS  94 -15.377   2.740  -9.056
  717   3HZ   LYS  94          3HZ       LYS  94 -16.250   4.115  -9.153
  718    H    HIS  95           H        HIS  95 -18.893   6.962  -3.054
  719    HA   HIS  95           HA       HIS  95 -20.730   4.849  -2.445
  720   1HB   HIS  95          2HB       HIS  95 -19.219   5.857  -0.776
  721   2HB   HIS  95          3HB       HIS  95 -20.080   7.391  -0.900
  722    HD1  HIS  95           1HD      HIS  95 -21.040   3.699   0.014
  723    HD2  HIS  95           2HD      HIS  95 -21.910   7.720   0.908
  724    HE1  HIS  95           1HE      HIS  95 -22.779   3.662   1.868
  725    H    GLN  96           H        GLN  96 -21.232   8.417  -2.951
  726    HA   GLN  96           HA       GLN  96 -24.052   8.339  -2.571
  727   1HB   GLN  96          2HB       GLN  96 -22.252  10.183  -4.180
  728   2HB   GLN  96          3HB       GLN  96 -23.990  10.446  -4.034
  729   1HG   GLN  96          2HG       GLN  96 -23.876  10.735  -1.654
  730   2HG   GLN  96          3HG       GLN  96 -22.197  10.195  -1.589
  731   1HE2  GLN  96          2HE2      GLN  96 -20.571  11.491  -2.730
  732   2HE2  GLN  96          1HE2      GLN  96 -20.792  13.233  -2.896
  733    H    ARG  97           H        ARG  97 -22.100   7.833  -5.555
  734    HA   ARG  97           HA       ARG  97 -24.467   7.451  -7.205
  735   1HB   ARG  97          2HB       ARG  97 -21.519   6.869  -7.727
  736   2HB   ARG  97          3HB       ARG  97 -22.815   6.714  -8.923
  737   1HG   ARG  97          2HG       ARG  97 -23.400   9.151  -8.483
  738   2HG   ARG  97          3HG       ARG  97 -21.893   9.280  -7.579
  739   1HD   ARG  97          2HD       ARG  97 -22.190   8.525 -10.524
  740   2HD   ARG  97          3HD       ARG  97 -21.657  10.077  -9.894
  741    HE   ARG  97           HE       ARG  97 -19.571   9.201  -9.290
  742   1HH1  ARG  97          1HH2      ARG  97 -21.514   6.642 -10.852
  743   2HH1  ARG  97          2HH2      ARG  97 -20.150   5.568 -10.994
  744   1HH2  ARG  97          1HH1      ARG  97 -17.901   7.899  -9.524
  745   2HH2  ARG  97          2HH1      ARG  97 -18.070   6.215 -10.071
  746    H    ASN  98           H        ASN  98 -23.438   5.497  -4.781
  747    HA   ASN  98           HA       ASN  98 -23.452   3.337  -4.271
  748   1HB   ASN  98          2HB       ASN  98 -25.880   3.712  -4.517
  749   2HB   ASN  98          3HB       ASN  98 -25.784   3.166  -6.196
  750   1HD2  ASN  98          2HD2      ASN  98 -27.112   1.287  -5.908
  751   2HD2  ASN  98          1HD2      ASN  98 -26.610  -0.064  -4.926
  752    H    GLU  99           H        GLU  99 -21.454   3.868  -5.872
  753    HA   GLU  99           HA       GLU  99 -21.164   1.510  -7.686
  754   1HB   GLU  99          2HB       GLU  99 -21.050   3.770  -8.738
  755   2HB   GLU  99          3HB       GLU  99 -19.697   4.180  -7.679
  756   1HG   GLU  99          2HG       GLU  99 -18.353   2.345  -8.685
  757   2HG   GLU  99          3HG       GLU  99 -19.724   1.905  -9.716
  758    H    LEU 100           H        LEU 100 -19.980   3.221  -4.822
  759    HA   LEU 100           HA       LEU 100 -17.419   1.889  -4.689
  760   1HB   LEU 100          2HB       LEU 100 -18.021   4.040  -3.467
  761   2HB   LEU 100          3HB       LEU 100 -19.063   3.088  -2.414
  762    HG   LEU 100           HG       LEU 100 -17.004   1.752  -1.736
  763   1HD1  LEU 100          1HD1      LEU 100 -15.570   3.948  -3.300
  764   2HD1  LEU 100          2HD1      LEU 100 -14.791   2.852  -2.144
  765   3HD1  LEU 100          3HD1      LEU 100 -15.506   2.198  -3.617
  766   1HD2  LEU 100          1HD2      LEU 100 -16.137   3.513  -0.241
  767   2HD2  LEU 100          2HD2      LEU 100 -16.954   4.751  -1.220
  768   3HD2  LEU 100          3HD2      LEU 100 -17.901   3.546  -0.323
  769    H    LEU 101           H        LEU 101 -20.681   1.261  -3.311
  770    HA   LEU 101           HA       LEU 101 -19.834  -0.953  -1.749
  771   1HB   LEU 101          2HB       LEU 101 -21.837   0.233  -1.204
  772   2HB   LEU 101          3HB       LEU 101 -22.585  -0.162  -2.742
  773    HG   LEU 101           HG       LEU 101 -22.612  -2.575  -2.128
  774   1HD1  LEU 101          1HD1      LEU 101 -20.676  -2.713  -0.611
  775   2HD1  LEU 101          2HD1      LEU 101 -21.461  -1.599   0.528
  776   3HD1  LEU 101          3HD1      LEU 101 -22.129  -3.226   0.239
  777   1HD2  LEU 101          1HD2      LEU 101 -24.357  -2.373  -0.409
  778   2HD2  LEU 101          2HD2      LEU 101 -23.819  -0.717  -0.035
  779   3HD2  LEU 101          3HD2      LEU 101 -24.516  -1.090  -1.625
  780    HA   PRO 102           HA       PRO 102 -21.111  -3.776  -5.552
  781   1HB   PRO 102          2HB       PRO 102 -20.300  -1.717  -7.625
  782   2HB   PRO 102          3HB       PRO 102 -21.367  -3.143  -7.821
  783   1HG   PRO 102          2HG       PRO 102 -22.425  -0.682  -7.462
  784   2HG   PRO 102          3HG       PRO 102 -23.123  -2.087  -6.600
  785   1HD   PRO 102          2HD       PRO 102 -21.343   0.068  -5.509
  786   2HD   PRO 102          3HD       PRO 102 -22.684  -0.818  -4.741
  787    H    LEU 103           H        LEU 103 -18.479  -1.292  -5.894
  788    HA   LEU 103           HA       LEU 103 -16.524  -3.148  -6.833
  789   1HB   LEU 103          2HB       LEU 103 -16.327  -0.747  -7.166
  790   2HB   LEU 103          3HB       LEU 103 -16.299  -0.459  -5.427
  791    HG   LEU 103           HG       LEU 103 -14.136  -1.584  -5.221
  792   1HD1  LEU 103          1HD1      LEU 103 -14.217  -3.223  -7.053
  793   2HD1  LEU 103          2HD1      LEU 103 -14.251  -1.910  -8.252
  794   3HD1  LEU 103          3HD1      LEU 103 -12.811  -2.173  -7.242
  795   1HD2  LEU 103          1HD2      LEU 103 -14.277   0.848  -5.685
  796   2HD2  LEU 103          2HD2      LEU 103 -12.795   0.112  -6.310
  797   3HD2  LEU 103          3HD2      LEU 103 -14.121   0.512  -7.424
  798    H    LEU 104           H        LEU 104 -17.307  -1.986  -3.518
  799    HA   LEU 104           HA       LEU 104 -15.245  -3.457  -2.178
  800   1HB   LEU 104          2HB       LEU 104 -17.957  -2.394  -1.292
  801   2HB   LEU 104          3HB       LEU 104 -16.850  -3.204  -0.200
  802    HG   LEU 104           HG       LEU 104 -16.012  -0.724  -1.751
  803   1HD1  LEU 104          1HD1      LEU 104 -16.499   0.540   0.323
  804   2HD1  LEU 104          2HD1      LEU 104 -17.969  -0.159  -0.372
  805   3HD1  LEU 104          3HD1      LEU 104 -17.212  -0.920   1.042
  806   1HD2  LEU 104          1HD2      LEU 104 -14.942  -2.022   0.789
  807   2HD2  LEU 104          2HD2      LEU 104 -14.170  -2.094  -0.811
  808   3HD2  LEU 104          3HD2      LEU 104 -14.318  -0.546   0.024
  809    H    GLN 105           H        GLN 105 -18.621  -4.290  -3.056
  810    HA   GLN 105           HA       GLN 105 -18.664  -6.816  -1.764
  811   1HB   GLN 105          2HB       GLN 105 -20.178  -5.572  -4.097
  812   2HB   GLN 105          3HB       GLN 105 -20.406  -7.264  -3.724
  813   1HG   GLN 105          2HG       GLN 105 -20.910  -4.951  -1.820
  814   2HG   GLN 105          3HG       GLN 105 -22.134  -5.884  -2.691
  815   1HE2  GLN 105          2HE2      GLN 105 -21.371  -8.540  -2.354
  816   2HE2  GLN 105          1HE2      GLN 105 -21.155  -8.947  -0.676
  817    H    ASP 106           H        ASP 106 -17.692  -5.851  -5.059
  818    HA   ASP 106           HA       ASP 106 -17.106  -8.478  -6.022
  819   1HB   ASP 106          2HB       ASP 106 -17.447  -6.589  -7.497
  820   2HB   ASP 106          3HB       ASP 106 -16.050  -5.750  -6.827
  821    H    ALA 107           H        ALA 107 -15.101  -6.073  -4.280
  822    HA   ALA 107           HA       ALA 107 -12.736  -7.749  -4.195
  823   1HB   ALA 107          1HB       ALA 107 -11.946  -6.085  -2.566
  824   2HB   ALA 107          2HB       ALA 107 -12.677  -5.284  -3.968
  825   3HB   ALA 107          3HB       ALA 107 -13.577  -5.399  -2.438
  826    H    ALA 108           H        ALA 108 -15.724  -8.210  -2.775
  827    HA   ALA 108           HA       ALA 108 -16.630  -9.094  -0.969
  828   1HB   ALA 108          1HB       ALA 108 -15.629 -11.121  -1.954
  829   2HB   ALA 108          2HB       ALA 108 -14.191 -10.905  -0.925
  830   3HB   ALA 108          3HB       ALA 108 -15.776 -11.227  -0.191
  831    H    ALA 109           H        ALA 109 -15.105  -6.737  -0.519
  832    HA   ALA 109           HA       ALA 109 -13.751  -6.924   2.071
  833   1HB   ALA 109          1HB       ALA 109 -14.817  -4.539   0.480
  834   2HB   ALA 109          2HB       ALA 109 -13.751  -4.471   1.898
  835   3HB   ALA 109          3HB       ALA 109 -13.170  -5.198   0.374
  836    H    THR 110           H        THR 110 -16.920  -5.801   0.757
  837    HA   THR 110           HA       THR 110 -18.080  -5.628   3.468
  838    HB   THR 110           HB       THR 110 -20.105  -4.909   2.059
  839    HG1  THR 110           1HG      THR 110 -19.734  -5.497   0.094
  840   1HG2  THR 110          1HG2      THR 110 -19.163  -2.661   1.516
  841   2HG2  THR 110          2HG2      THR 110 -18.791  -3.210   3.158
  842   3HG2  THR 110          3HG2      THR 110 -17.542  -3.277   1.902
  843    H    ALA 111           H        ALA 111 -20.236  -6.779   3.650
  844    HA   ALA 111           HA       ALA 111 -20.260  -9.434   2.314
  845   1HB   ALA 111          1HB       ALA 111 -18.948  -9.597   4.421
  846   2HB   ALA 111          2HB       ALA 111 -20.342  -8.964   5.329
  847   3HB   ALA 111          3HB       ALA 111 -20.450 -10.532   4.500
  848    H    LYS 112           H        LYS 112 -21.993  -7.040   1.939
  849    HA   LYS 112           HA       LYS 112 -24.548  -7.532   3.220
  850   1HB   LYS 112          2HB       LYS 112 -23.884  -5.394   2.059
  851   2HB   LYS 112          3HB       LYS 112 -23.945  -6.248   0.508
  852   1HG   LYS 112          2HG       LYS 112 -26.356  -6.699   0.839
  853   2HG   LYS 112          3HG       LYS 112 -26.292  -5.931   2.437
  854   1HD   LYS 112          2HD       LYS 112 -25.663  -3.779   1.370
  855   2HD   LYS 112          3HD       LYS 112 -25.733  -4.558  -0.230
  856   1HE   LYS 112          2HE       LYS 112 -28.129  -5.109   0.150
  857   2HE   LYS 112          3HE       LYS 112 -28.057  -4.343   1.741
  858   1HZ   LYS 112          1HZ       LYS 112 -28.990  -2.859   0.092
  859   2HZ   LYS 112          2HZ       LYS 112 -27.589  -2.234   0.633
  860   3HZ   LYS 112          3HZ       LYS 112 -27.661  -2.945  -0.842
  861    H    ASN 113           H        ASN 113 -22.834  -8.860   0.505
  862    HA   ASN 113           HA       ASN 113 -24.681 -11.155   0.412
  863   1HB   ASN 113          2HB       ASN 113 -25.183  -9.800  -1.586
  864   2HB   ASN 113          3HB       ASN 113 -23.475  -9.710  -1.993
  865   1HD2  ASN 113          2HD2      ASN 113 -22.676 -11.300  -3.379
  866   2HD2  ASN 113          1HD2      ASN 113 -23.499 -12.801  -3.713
  867    HA   PRO 114           HA       PRO 114 -21.002 -12.945   1.862
  868   1HB   PRO 114          2HB       PRO 114 -21.445 -15.149  -0.172
  869   2HB   PRO 114          3HB       PRO 114 -20.895 -15.300   1.531
  870   1HG   PRO 114          2HG       PRO 114 -23.513 -15.641   0.929
  871   2HG   PRO 114          3HG       PRO 114 -23.046 -14.672   2.363
  872   1HD   PRO 114          2HD       PRO 114 -24.025 -13.721  -0.308
  873   2HD   PRO 114          3HD       PRO 114 -24.287 -13.022   1.323
  874    H    ALA 115           H        ALA 115 -20.955 -12.966  -1.694
  875    HA   ALA 115           HA       ALA 115 -18.460 -11.525  -1.724
  876   1HB   ALA 115          1HB       ALA 115 -17.516 -13.827  -1.624
  877   2HB   ALA 115          2HB       ALA 115 -18.548 -14.316  -2.990
  878   3HB   ALA 115          3HB       ALA 115 -17.261 -13.116  -3.228
  879    H    GLN 116           H        GLN 116 -18.291 -10.415  -3.709
  880    HA   GLN 116           HA       GLN 116 -19.171  -9.157  -5.284
  881   1HB   GLN 116          2HB       GLN 116 -19.692 -10.049  -7.373
  882   2HB   GLN 116          3HB       GLN 116 -18.409 -11.024  -6.687
  883   1HG   GLN 116          2HG       GLN 116 -19.857 -12.890  -6.331
  884   2HG   GLN 116          3HG       GLN 116 -21.318 -11.924  -6.543
  885   1HE2  GLN 116          2HE2      GLN 116 -21.863 -11.095  -8.740
  886   2HE2  GLN 116          1HE2      GLN 116 -21.240 -11.970 -10.127
  887    H    LEU 117           H        LEU 117 -21.510  -9.394  -6.912
  888    HA   LEU 117           HA       LEU 117 -23.798  -9.665  -5.226
  889   1HB   LEU 117          2HB       LEU 117 -24.693  -7.509  -5.435
  890   2HB   LEU 117          3HB       LEU 117 -23.093  -7.283  -4.755
  891    HG   LEU 117           HG       LEU 117 -23.927  -6.773  -7.660
  892   1HD1  LEU 117          1HD1      LEU 117 -23.661  -4.412  -7.072
  893   2HD1  LEU 117          2HD1      LEU 117 -24.863  -5.180  -6.034
  894   3HD1  LEU 117          3HD1      LEU 117 -23.239  -4.851  -5.399
  895   1HD2  LEU 117          1HD2      LEU 117 -21.717  -5.605  -7.864
  896   2HD2  LEU 117          2HD2      LEU 117 -21.237  -6.292  -6.296
  897   3HD2  LEU 117          3HD2      LEU 117 -21.564  -7.345  -7.694
  Start of MODEL    7
    1   1H    MET   1           H1       MET   1  22.356   7.883  -6.544
    2   2H    MET   1           H2       MET   1  22.378   6.715  -5.399
    3   3H    MET   1           H3       MET   1  21.015   6.976  -6.257
    4    HA   MET   1           HA       MET   1  22.224   8.841  -4.326
    5   1HB   MET   1          2HB       MET   1  19.747   9.136  -6.081
    6   2HB   MET   1          3HB       MET   1  19.984  10.066  -4.608
    7   1HG   MET   1          2HG       MET   1  21.826  10.090  -7.023
    8   2HG   MET   1          3HG       MET   1  20.665  11.332  -6.591
    9   1HE   MET   1          1HE       MET   1  22.242  13.124  -3.529
   10   2HE   MET   1          2HE       MET   1  20.951  13.123  -4.749
   11   3HE   MET   1          3HE       MET   1  20.986  11.872  -3.483
   12    H    ALA   2           H        ALA   2  21.862   8.168  -2.271
   13    HA   ALA   2           HA       ALA   2  20.352   5.909  -1.604
   14   1HB   ALA   2          1HB       ALA   2  21.136   8.259   0.176
   15   2HB   ALA   2          2HB       ALA   2  20.640   6.646   0.729
   16   3HB   ALA   2          3HB       ALA   2  22.143   6.836  -0.193
   17    H    SER   3           H        SER   3  19.304   9.369  -1.576
   18    HA   SER   3           HA       SER   3  16.834   9.018  -0.345
   19   1HB   SER   3          2HB       SER   3  17.356  10.905  -2.667
   20   2HB   SER   3          3HB       SER   3  16.274  11.153  -1.287
   21    HG   SER   3           HG       SER   3  18.082  11.341   0.047
   22    H    LYS   4           H        LYS   4  17.684   8.500  -3.772
   23    HA   LYS   4           HA       LYS   4  14.932   7.950  -4.579
   24   1HB   LYS   4          2HB       LYS   4  17.595   7.392  -5.960
   25   2HB   LYS   4          3HB       LYS   4  16.002   7.089  -6.666
   26   1HG   LYS   4          2HG       LYS   4  15.435   9.513  -6.382
   27   2HG   LYS   4          3HG       LYS   4  17.088   9.808  -5.809
   28   1HD   LYS   4          2HD       LYS   4  17.984   8.981  -7.978
   29   2HD   LYS   4          3HD       LYS   4  16.324   8.687  -8.544
   30   1HE   LYS   4          2HE       LYS   4  15.802  11.105  -8.237
   31   2HE   LYS   4          3HE       LYS   4  17.464  11.395  -7.709
   32   1HZ   LYS   4          1HZ       LYS   4  17.168  11.929 -10.042
   33   2HZ   LYS   4          2HZ       LYS   4  18.212  10.687  -9.913
   34   3HZ   LYS   4          3HZ       LYS   4  16.672  10.420 -10.395
   35    H    GLN   5           H        GLN   5  17.767   5.978  -3.576
   36    HA   GLN   5           HA       GLN   5  16.565   3.454  -4.082
   37   1HB   GLN   5          2HB       GLN   5  18.992   3.924  -3.510
   38   2HB   GLN   5          3HB       GLN   5  18.496   4.122  -1.821
   39   1HG   GLN   5          2HG       GLN   5  17.597   1.787  -1.837
   40   2HG   GLN   5          3HG       GLN   5  18.134   1.608  -3.509
   41   1HE2  GLN   5          2HE2      GLN   5  19.169   1.754  -0.125
   42   2HE2  GLN   5          1HE2      GLN   5  20.832   1.312  -0.410
   43    H    GLU   6           H        GLU   6  16.424   5.606  -1.165
   44    HA   GLU   6           HA       GLU   6  14.796   3.751   0.328
   45   1HB   GLU   6          2HB       GLU   6  15.398   6.716   0.672
   46   2HB   GLU   6          3HB       GLU   6  14.299   5.813   1.726
   47   1HG   GLU   6          2HG       GLU   6  16.158   4.163   2.168
   48   2HG   GLU   6          3HG       GLU   6  17.257   5.240   1.310
   49    H    LEU   7           H        LEU   7  14.034   6.479  -1.886
   50    HA   LEU   7           HA       LEU   7  11.246   6.507  -1.388
   51   1HB   LEU   7          2HB       LEU   7  12.517   8.238  -2.660
   52   2HB   LEU   7          3HB       LEU   7  12.759   7.078  -3.969
   53    HG   LEU   7           HG       LEU   7  10.281   6.976  -4.321
   54   1HD1  LEU   7          1HD1      LEU   7   8.895   8.794  -3.287
   55   2HD1  LEU   7          2HD1      LEU   7   9.453   7.608  -2.100
   56   3HD1  LEU   7          3HD1      LEU   7  10.256   9.188  -2.213
   57   1HD2  LEU   7          1HD2      LEU   7  10.122   9.196  -5.367
   58   2HD2  LEU   7          2HD2      LEU   7  11.516   9.759  -4.413
   59   3HD2  LEU   7          3HD2      LEU   7  11.722   8.483  -5.630
   60    H    ASP   8           H        ASP   8  13.206   4.550  -3.697
   61    HA   ASP   8           HA       ASP   8  10.939   3.163  -4.810
   62   1HB   ASP   8          2HB       ASP   8  13.069   3.311  -6.002
   63   2HB   ASP   8          3HB       ASP   8  13.901   2.460  -4.697
   64    H    ALA   9           H        ALA   9  13.173   2.417  -2.084
   65    HA   ALA   9           HA       ALA   9  12.064  -0.147  -1.526
   66   1HB   ALA   9          1HB       ALA   9  14.219   0.675  -0.583
   67   2HB   ALA   9          2HB       ALA   9  13.334   1.866   0.395
   68   3HB   ALA   9          3HB       ALA   9  13.109   0.132   0.692
   69    H    ALA  10           H        ALA  10  11.199   3.143  -0.373
   70    HA   ALA  10           HA       ALA  10   9.023   2.361   1.280
   71   1HB   ALA  10          1HB       ALA  10   8.330   4.728   1.068
   72   2HB   ALA  10          2HB       ALA  10  10.053   4.570   1.450
   73   3HB   ALA  10          3HB       ALA  10   9.541   4.975  -0.202
   74    H    LEU  11           H        LEU  11   9.184   3.059  -2.273
   75    HA   LEU  11           HA       LEU  11   6.379   2.794  -2.704
   76   1HB   LEU  11          2HB       LEU  11   7.901   3.711  -4.404
   77   2HB   LEU  11          3HB       LEU  11   8.712   2.155  -4.550
   78    HG   LEU  11           HG       LEU  11   6.643   1.107  -5.422
   79   1HD1  LEU  11          1HD1      LEU  11   5.515   3.909  -5.101
   80   2HD1  LEU  11          2HD1      LEU  11   4.774   2.665  -6.136
   81   3HD1  LEU  11          3HD1      LEU  11   4.884   2.407  -4.395
   82   1HD2  LEU  11          1HD2      LEU  11   8.288   2.051  -6.969
   83   2HD2  LEU  11          2HD2      LEU  11   6.647   2.250  -7.604
   84   3HD2  LEU  11          3HD2      LEU  11   7.492   3.633  -6.878
   85    H    LYS  12           H        LYS  12   8.980   0.262  -2.794
   86    HA   LYS  12           HA       LYS  12   7.187  -1.841  -3.388
   87   1HB   LYS  12          2HB       LYS  12   9.700  -1.895  -3.467
   88   2HB   LYS  12          3HB       LYS  12   9.731  -1.950  -1.698
   89   1HG   LYS  12          2HG       LYS  12   8.518  -4.119  -1.738
   90   2HG   LYS  12          3HG       LYS  12   8.373  -4.005  -3.500
   91   1HD   LYS  12          2HD       LYS  12  10.178  -5.500  -3.038
   92   2HD   LYS  12          3HD       LYS  12  10.876  -3.994  -3.666
   93   1HE   LYS  12          2HE       LYS  12  11.427  -3.283  -1.346
   94   2HE   LYS  12          3HE       LYS  12  10.685  -4.759  -0.712
   95   1HZ   LYS  12          1HZ       LYS  12  12.382  -6.036  -1.882
   96   2HZ   LYS  12          2HZ       LYS  12  13.068  -4.675  -2.474
   97   3HZ   LYS  12          3HZ       LYS  12  13.082  -4.970  -0.872
   98    H    LYS  13           H        LYS  13   8.199  -0.503  -0.214
   99    HA   LYS  13           HA       LYS  13   6.607  -2.261   1.358
  100   1HB   LYS  13          2HB       LYS  13   8.474  -0.834   2.154
  101   2HB   LYS  13          3HB       LYS  13   7.464   0.605   1.941
  102   1HG   LYS  13          2HG       LYS  13   5.988  -0.054   3.719
  103   2HG   LYS  13          3HG       LYS  13   6.604  -1.712   3.716
  104   1HD   LYS  13          2HD       LYS  13   7.459  -0.467   5.649
  105   2HD   LYS  13          3HD       LYS  13   8.758  -1.001   4.573
  106   1HE   LYS  13          2HE       LYS  13   8.666   1.359   3.526
  107   2HE   LYS  13          3HE       LYS  13   7.622   1.810   4.879
  108   1HZ   LYS  13          1HZ       LYS  13  10.396   0.788   5.118
  109   2HZ   LYS  13          2HZ       LYS  13   9.944   2.356   5.254
  110   3HZ   LYS  13          3HZ       LYS  13   9.449   1.247   6.371
  111    H    ALA  14           H        ALA  14   5.769   0.928  -0.149
  112    HA   ALA  14           HA       ALA  14   3.165   1.074   0.944
  113   1HB   ALA  14          1HB       ALA  14   4.091   2.142  -1.755
  114   2HB   ALA  14          2HB       ALA  14   2.688   2.668  -0.808
  115   3HB   ALA  14          3HB       ALA  14   4.327   2.966  -0.197
  116    H    LYS  15           H        LYS  15   4.337  -0.504  -2.090
  117    HA   LYS  15           HA       LYS  15   1.763  -1.370  -2.971
  118   1HB   LYS  15          2HB       LYS  15   4.559  -2.484  -3.429
  119   2HB   LYS  15          3HB       LYS  15   3.109  -3.166  -4.178
  120   1HG   LYS  15          2HG       LYS  15   2.607  -1.109  -5.316
  121   2HG   LYS  15          3HG       LYS  15   3.924  -0.246  -4.503
  122   1HD   LYS  15          2HD       LYS  15   5.581  -1.689  -5.619
  123   2HD   LYS  15          3HD       LYS  15   4.273  -2.627  -6.376
  124   1HE   LYS  15          2HE       LYS  15   3.468  -0.556  -7.514
  125   2HE   LYS  15          3HE       LYS  15   4.805   0.350  -6.799
  126   1HZ   LYS  15          1HZ       LYS  15   5.089  -1.922  -8.688
  127   2HZ   LYS  15          2HZ       LYS  15   5.312  -0.355  -9.060
  128   3HZ   LYS  15          3HZ       LYS  15   6.340  -1.098  -8.033
  129    H    GLU  16           H        GLU  16   4.152  -2.953  -0.790
  130    HA   GLU  16           HA       GLU  16   2.632  -5.316  -0.404
  131   1HB   GLU  16          2HB       GLU  16   5.055  -4.925   0.231
  132   2HB   GLU  16          3HB       GLU  16   4.495  -3.949   1.586
  133   1HG   GLU  16          2HG       GLU  16   4.978  -6.095   2.459
  134   2HG   GLU  16          3HG       GLU  16   3.226  -5.971   2.437
  135    H    LEU  17           H        LEU  17   2.698  -2.243   1.495
  136    HA   LEU  17           HA       LEU  17   0.719  -2.928   3.392
  137   1HB   LEU  17          2HB       LEU  17   1.493  -0.251   2.166
  138   2HB   LEU  17          3HB       LEU  17   0.308  -0.392   3.452
  139    HG   LEU  17           HG       LEU  17   3.191  -1.338   3.722
  140   1HD1  LEU  17          1HD1      LEU  17   3.571   0.693   5.036
  141   2HD1  LEU  17          2HD1      LEU  17   3.108   1.087   3.376
  142   3HD1  LEU  17          3HD1      LEU  17   1.919   1.243   4.690
  143   1HD2  LEU  17          1HD2      LEU  17   1.014  -0.885   5.807
  144   2HD2  LEU  17          2HD2      LEU  17   1.673  -2.464   5.305
  145   3HD2  LEU  17          3HD2      LEU  17   2.703  -1.308   6.146
  146    H    ALA  18           H        ALA  18   0.347  -1.350   0.196
  147    HA   ALA  18           HA       ALA  18  -2.450  -1.043   0.207
  148   1HB   ALA  18          1HB       ALA  18  -2.191  -0.765  -2.223
  149   2HB   ALA  18          2HB       ALA  18  -0.913   0.108  -1.358
  150   3HB   ALA  18          3HB       ALA  18  -0.558  -1.448  -2.143
  151    H    SER  19           H        SER  19  -0.636  -3.979  -0.038
  152    HA   SER  19           HA       SER  19  -2.926  -5.428  -1.283
  153   1HB   SER  19          2HB       SER  19  -0.005  -6.257  -1.117
  154   2HB   SER  19          3HB       SER  19  -1.296  -7.020  -2.064
  155    HG   SER  19           HG       SER  19  -0.001  -4.532  -2.430
  156    H    SER  20           H        SER  20  -1.629  -4.777   1.744
  157    HA   SER  20           HA       SER  20  -1.546  -7.444   2.852
  158   1HB   SER  20          2HB       SER  20  -1.641  -4.678   4.111
  159   2HB   SER  20          3HB       SER  20  -1.355  -6.180   5.003
  160    HG   SER  20           HG       SER  20   0.245  -5.346   2.791
  161    H    ALA  21           H        ALA  21  -4.211  -5.420   2.025
  162    HA   ALA  21           HA       ALA  21  -6.090  -7.232   3.324
  163   1HB   ALA  21          1HB       ALA  21  -7.380  -5.287   4.318
  164   2HB   ALA  21          2HB       ALA  21  -5.798  -5.520   5.078
  165   3HB   ALA  21          3HB       ALA  21  -6.040  -4.224   3.883
  166    HA   PRO  22           HA       PRO  22  -8.107  -6.335  -0.519
  167   1HB   PRO  22          2HB       PRO  22 -10.810  -6.343   0.029
  168   2HB   PRO  22          3HB       PRO  22  -9.791  -7.811  -0.003
  169   1HG   PRO  22          2HG       PRO  22 -10.585  -6.151   2.413
  170   2HG   PRO  22          3HG       PRO  22 -10.691  -7.932   2.211
  171   1HD   PRO  22          2HD       PRO  22  -8.610  -6.816   3.500
  172   2HD   PRO  22          3HD       PRO  22  -8.330  -8.171   2.376
  173    H    VAL  23           H        VAL  23  -8.589  -4.106   2.143
  174    HA   VAL  23           HA       VAL  23  -8.941  -1.884   0.244
  175    HB   VAL  23           HB       VAL  23 -10.557  -2.275   2.793
  176   1HG1  VAL  23          1HG1      VAL  23 -11.737  -0.176   2.109
  177   2HG1  VAL  23          2HG1      VAL  23 -10.042   0.095   2.524
  178   3HG1  VAL  23          3HG1      VAL  23 -10.528   0.060   0.834
  179   1HG2  VAL  23          1HG2      VAL  23 -11.615  -2.165  -0.044
  180   2HG2  VAL  23          2HG2      VAL  23 -11.466  -3.626   0.946
  181   3HG2  VAL  23          3HG2      VAL  23 -12.549  -2.338   1.459
  182    H    VAL  24           H        VAL  24  -7.602  -0.185   0.881
  183    HA   VAL  24           HA       VAL  24  -6.368  -0.274   3.573
  184    HB   VAL  24           HB       VAL  24  -4.754  -0.023   1.001
  185   1HG1  VAL  24          1HG1      VAL  24  -2.807  -0.262   2.519
  186   2HG1  VAL  24          2HG1      VAL  24  -3.755   1.168   2.914
  187   3HG1  VAL  24          3HG1      VAL  24  -3.895  -0.293   3.919
  188   1HG2  VAL  24          1HG2      VAL  24  -5.483  -2.343   1.134
  189   2HG2  VAL  24          2HG2      VAL  24  -3.799  -2.250   1.595
  190   3HG2  VAL  24          3HG2      VAL  24  -5.024  -2.425   2.850
  191    H    VAL  25           H        VAL  25  -6.230   1.734   4.423
  192    HA   VAL  25           HA       VAL  25  -6.882   4.077   2.698
  193    HB   VAL  25           HB       VAL  25  -7.646   3.502   5.593
  194   1HG1  VAL  25          1HG1      VAL  25  -9.126   5.497   5.307
  195   2HG1  VAL  25          2HG1      VAL  25  -7.411   5.892   5.196
  196   3HG1  VAL  25          3HG1      VAL  25  -8.380   5.794   3.716
  197   1HG2  VAL  25          1HG2      VAL  25  -9.958   3.312   4.741
  198   2HG2  VAL  25          2HG2      VAL  25  -9.358   3.443   3.072
  199   3HG2  VAL  25          3HG2      VAL  25  -8.924   2.045   4.083
  200    H    PHE  26           H        PHE  26  -4.862   4.862   2.296
  201    HA   PHE  26           HA       PHE  26  -2.863   5.228   4.436
  202   1HB   PHE  26          2HB       PHE  26  -3.033   6.245   1.569
  203   2HB   PHE  26          3HB       PHE  26  -1.679   6.509   2.658
  204    HD1  PHE  26           1HD      PHE  26  -0.203   4.597   3.352
  205    HD2  PHE  26           2HD      PHE  26  -3.357   4.096   0.453
  206    HE1  PHE  26           1HE      PHE  26   0.782   2.417   2.652
  207    HE2  PHE  26           2HE      PHE  26  -2.353   1.941  -0.259
  208    HZ   PHE  26           HZ       PHE  26  -0.284   1.105   0.836
  209    H    SER  27           H        SER  27  -3.091   6.933   5.873
  210    HA   SER  27           HA       SER  27  -4.624   9.332   5.124
  211   1HB   SER  27          2HB       SER  27  -6.302   8.864   6.929
  212   2HB   SER  27          3HB       SER  27  -6.398   7.768   5.563
  213    HG   SER  27           HG       SER  27  -5.315   6.203   6.780
  214    H    LYS  28           H        LYS  28  -5.156  10.335   7.604
  215    HA   LYS  28           HA       LYS  28  -2.746  10.074   9.287
  216   1HB   LYS  28          2HB       LYS  28  -3.955  12.686   8.294
  217   2HB   LYS  28          3HB       LYS  28  -2.918  12.583   9.726
  218   1HG   LYS  28          2HG       LYS  28  -1.117  11.561   8.339
  219   2HG   LYS  28          3HG       LYS  28  -2.120  11.776   6.901
  220   1HD   LYS  28          2HD       LYS  28  -2.148  14.239   7.306
  221   2HD   LYS  28          3HD       LYS  28  -1.107  14.003   8.725
  222   1HE   LYS  28          2HE       LYS  28   0.635  12.978   7.265
  223   2HE   LYS  28          3HE       LYS  28  -0.402  13.223   5.854
  224   1HZ   LYS  28          1HZ       LYS  28  -0.252  15.620   6.246
  225   2HZ   LYS  28          2HZ       LYS  28   0.714  15.390   7.545
  226   3HZ   LYS  28          3HZ       LYS  28   1.235  14.982   6.058
  227    H    THR  29           H        THR  29  -3.327  11.255  11.470
  228    HA   THR  29           HA       THR  29  -5.419   9.598  12.492
  229    HB   THR  29           HB       THR  29  -4.493  10.722  14.655
  230    HG1  THR  29           1HG      THR  29  -2.610  11.876  14.371
  231   1HG2  THR  29          1HG2      THR  29  -2.453   9.412  14.608
  232   2HG2  THR  29          2HG2      THR  29  -3.731   8.501  13.796
  233   3HG2  THR  29          3HG2      THR  29  -2.477   9.326  12.836
  234    H    TYR  30           H        TYR  30  -5.366  13.040  11.646
  235    HA   TYR  30           HA       TYR  30  -7.799  13.423  13.347
  236   1HB   TYR  30          2HB       TYR  30  -6.960  15.592  13.937
  237   2HB   TYR  30          3HB       TYR  30  -5.770  14.369  14.339
  238    HD1  TYR  30           1HD      TYR  30  -3.608  14.242  13.114
  239    HD2  TYR  30           2HD      TYR  30  -6.578  17.208  12.100
  240    HE1  TYR  30           1HE      TYR  30  -1.934  15.448  11.749
  241    HE2  TYR  30           2HE      TYR  30  -4.936  18.382  10.685
  242    HH   TYR  30           HH       TYR  30  -2.720  18.459   9.945
  243    H    CYS  31           H        CYS  31  -6.396  14.160  10.128
  244    HA   CYS  31           HA       CYS  31  -7.895  16.352   9.497
  245   1HB   CYS  31          2HB       CYS  31  -7.197  14.106   7.576
  246   2HB   CYS  31          3HB       CYS  31  -7.396  15.829   7.205
  247    H    GLY  32           H        GLY  32  -9.933  16.802   8.825
  248   1HA   GLY  32          1HA       GLY  32 -12.077  15.172   9.540
  249   2HA   GLY  32          2HA       GLY  32 -12.175  16.564   8.445
  250    H    TYR  33           H        TYR  33 -10.586  15.586   6.287
  251    HA   TYR  33           HA       TYR  33 -12.454  13.973   4.878
  252   1HB   TYR  33          2HB       TYR  33  -9.509  14.500   4.299
  253   2HB   TYR  33          3HB       TYR  33 -10.675  13.860   3.156
  254    HD1  TYR  33           1HD      TYR  33 -12.910  15.354   2.885
  255    HD2  TYR  33           2HD      TYR  33  -9.062  16.818   4.182
  256    HE1  TYR  33           1HE      TYR  33 -13.554  17.642   2.194
  257    HE2  TYR  33           2HE      TYR  33  -9.696  19.105   3.498
  258    HH   TYR  33           HH       TYR  33 -11.350  20.461   2.569
  259    H    CYS  34           H        CYS  34  -9.515  13.098   6.719
  260    HA   CYS  34           HA       CYS  34  -9.438  10.337   5.815
  261   1HB   CYS  34          2HB       CYS  34  -8.243  11.728   8.266
  262   2HB   CYS  34          3HB       CYS  34  -7.977  10.039   7.839
  263    HG   CYS  34           HG       CYS  34  -7.366  12.708   5.949
  264    H    ASN  35           H        ASN  35 -10.785  12.027   8.706
  265    HA   ASN  35           HA       ASN  35 -12.002   9.726   9.872
  266   1HB   ASN  35          2HB       ASN  35 -11.937  11.763  11.155
  267   2HB   ASN  35          3HB       ASN  35 -12.823  12.658   9.918
  268   1HD2  ASN  35          2HD2      ASN  35 -15.110  12.599   9.938
  269   2HD2  ASN  35          1HD2      ASN  35 -16.045  11.473  10.894
  270    H    ARG  36           H        ARG  36 -13.247  11.996   7.356
  271    HA   ARG  36           HA       ARG  36 -15.803  10.871   7.184
  272   1HB   ARG  36          2HB       ARG  36 -15.089  13.051   6.227
  273   2HB   ARG  36          3HB       ARG  36 -14.284  12.188   4.907
  274   1HG   ARG  36          2HG       ARG  36 -16.434  11.261   4.154
  275   2HG   ARG  36          3HG       ARG  36 -17.240  11.872   5.603
  276   1HD   ARG  36          2HD       ARG  36 -17.816  13.307   3.783
  277   2HD   ARG  36          3HD       ARG  36 -16.762  14.209   4.885
  278    HE   ARG  36           HE       ARG  36 -15.109  13.039   2.931
  279   1HH1  ARG  36          1HH2      ARG  36 -17.687  15.477   3.024
  280   2HH1  ARG  36          2HH2      ARG  36 -17.174  16.284   1.591
  281   1HH2  ARG  36          1HH1      ARG  36 -14.431  14.090   1.019
  282   2HH2  ARG  36          2HH1      ARG  36 -15.266  15.483   0.430
  283    H    VAL  37           H        VAL  37 -12.841   9.952   5.284
  284    HA   VAL  37           HA       VAL  37 -14.155   7.849   3.846
  285    HB   VAL  37           HB       VAL  37 -11.252   8.249   4.686
  286   1HG1  VAL  37          1HG1      VAL  37 -12.344   6.142   2.768
  287   2HG1  VAL  37          2HG1      VAL  37 -10.631   6.546   3.045
  288   3HG1  VAL  37          3HG1      VAL  37 -11.570   5.820   4.335
  289   1HG2  VAL  37          1HG2      VAL  37 -11.071   8.698   2.178
  290   2HG2  VAL  37          2HG2      VAL  37 -12.844   8.678   2.126
  291   3HG2  VAL  37          3HG2      VAL  37 -12.008   9.888   3.098
  292    H    LYS  38           H        LYS  38 -12.383   7.779   6.987
  293    HA   LYS  38           HA       LYS  38 -12.630   4.997   7.374
  294   1HB   LYS  38          2HB       LYS  38 -12.360   7.294   9.354
  295   2HB   LYS  38          3HB       LYS  38 -12.300   5.593   9.840
  296   1HG   LYS  38          2HG       LYS  38 -10.359   5.146   8.531
  297   2HG   LYS  38          3HG       LYS  38 -10.504   6.643   7.624
  298   1HD   LYS  38          2HD       LYS  38  -9.957   7.946   9.693
  299   2HD   LYS  38          3HD       LYS  38  -9.673   6.403  10.543
  300   1HE   LYS  38          2HE       LYS  38  -7.990   5.770   8.842
  301   2HE   LYS  38          3HE       LYS  38  -8.312   7.239   7.934
  302   1HZ   LYS  38          1HZ       LYS  38  -6.326   7.450   9.167
  303   2HZ   LYS  38          2HZ       LYS  38  -7.368   8.516   9.820
  304   3HZ   LYS  38          3HZ       LYS  38  -7.002   7.128  10.615
  305    H    GLN  39           H        GLN  39 -14.934   7.579   8.521
  306    HA   GLN  39           HA       GLN  39 -16.731   5.598   9.558
  307   1HB   GLN  39          2HB       GLN  39 -18.332   7.335   9.828
  308   2HB   GLN  39          3HB       GLN  39 -16.729   7.894  10.328
  309   1HG   GLN  39          2HG       GLN  39 -16.552   9.129   8.169
  310   2HG   GLN  39          3HG       GLN  39 -18.188   8.628   7.760
  311   1HE2  GLN  39          2HE2      GLN  39 -19.343  10.568   7.849
  312   2HE2  GLN  39          1HE2      GLN  39 -19.370  11.621   9.239
  313    H    LEU  40           H        LEU  40 -16.503   7.114   6.338
  314    HA   LEU  40           HA       LEU  40 -18.935   6.201   5.242
  315   1HB   LEU  40          2HB       LEU  40 -17.272   7.776   4.174
  316   2HB   LEU  40          3HB       LEU  40 -16.243   6.394   3.831
  317    HG   LEU  40           HG       LEU  40 -18.208   5.469   2.410
  318   1HD1  LEU  40          1HD1      LEU  40 -19.159   8.342   2.849
  319   2HD1  LEU  40          2HD1      LEU  40 -19.752   7.262   1.582
  320   3HD1  LEU  40          3HD1      LEU  40 -20.034   6.853   3.280
  321   1HD2  LEU  40          1HD2      LEU  40 -16.184   6.425   1.454
  322   2HD2  LEU  40          2HD2      LEU  40 -17.612   6.882   0.521
  323   3HD2  LEU  40          3HD2      LEU  40 -16.851   8.063   1.617
  324    H    LEU  41           H        LEU  41 -15.729   4.571   5.258
  325    HA   LEU  41           HA       LEU  41 -16.673   2.135   4.033
  326   1HB   LEU  41          2HB       LEU  41 -14.152   3.095   5.379
  327   2HB   LEU  41          3HB       LEU  41 -14.397   1.365   5.226
  328    HG   LEU  41           HG       LEU  41 -14.513   1.424   2.852
  329   1HD1  LEU  41          1HD1      LEU  41 -15.722   3.503   2.387
  330   2HD1  LEU  41          2HD1      LEU  41 -14.350   4.467   2.982
  331   3HD1  LEU  41          3HD1      LEU  41 -14.196   3.483   1.506
  332   1HD2  LEU  41          1HD2      LEU  41 -12.260   2.243   2.314
  333   2HD2  LEU  41          2HD2      LEU  41 -12.248   3.238   3.786
  334   3HD2  LEU  41          3HD2      LEU  41 -12.266   1.468   3.910
  335    H    THR  42           H        THR  42 -16.218   3.139   7.454
  336    HA   THR  42           HA       THR  42 -16.752   0.593   8.589
  337    HB   THR  42           HB       THR  42 -17.337   3.365   9.713
  338    HG1  THR  42           1HG      THR  42 -15.230   3.257   9.245
  339   1HG2  THR  42          1HG2      THR  42 -17.023   2.279  11.927
  340   2HG2  THR  42          2HG2      THR  42 -18.446   1.664  11.074
  341   3HG2  THR  42          3HG2      THR  42 -16.958   0.690  11.127
  342    H    GLN  43           H        GLN  43 -19.015   3.224   7.582
  343    HA   GLN  43           HA       GLN  43 -21.281   2.042   8.811
  344   1HB   GLN  43          2HB       GLN  43 -20.931   4.074   6.587
  345   2HB   GLN  43          3HB       GLN  43 -22.540   3.533   7.076
  346   1HG   GLN  43          2HG       GLN  43 -22.277   4.318   9.319
  347   2HG   GLN  43          3HG       GLN  43 -20.552   4.610   9.110
  348   1HE2  GLN  43          1HE2      GLN  43 -19.915   6.249   7.475
  349   2HE2  GLN  43          2HE2      GLN  43 -20.946   7.661   7.232
  350    H    VAL  44           H        VAL  44 -19.951   1.552   5.487
  351    HA   VAL  44           HA       VAL  44 -22.158  -0.243   4.804
  352    HB   VAL  44           HB       VAL  44 -20.777  -0.824   2.827
  353   1HG1  VAL  44          1HG1      VAL  44 -22.449   0.996   2.795
  354   2HG1  VAL  44          2HG1      VAL  44 -21.181   2.166   3.233
  355   3HG1  VAL  44          3HG1      VAL  44 -21.103   1.287   1.686
  356   1HG2  VAL  44          1HG2      VAL  44 -18.503  -0.424   3.686
  357   2HG2  VAL  44          2HG2      VAL  44 -18.832   0.547   2.241
  358   3HG2  VAL  44          3HG2      VAL  44 -18.853   1.314   3.828
  359    H    GLY  45           H        GLY  45 -19.434  -0.596   6.843
  360   1HA   GLY  45          1HA       GLY  45 -18.831  -2.429   8.064
  361   2HA   GLY  45          2HA       GLY  45 -19.962  -3.438   7.146
  362    H    ALA  46           H        ALA  46 -17.392  -1.402   5.670
  363    HA   ALA  46           HA       ALA  46 -16.289  -3.642   4.202
  364   1HB   ALA  46          1HB       ALA  46 -14.584  -1.984   3.516
  365   2HB   ALA  46          2HB       ALA  46 -16.221  -1.323   3.318
  366   3HB   ALA  46          3HB       ALA  46 -15.218  -0.827   4.698
  367    H    SER  47           H        SER  47 -14.437  -4.742   4.621
  368    HA   SER  47           HA       SER  47 -13.106  -4.490   7.266
  369   1HB   SER  47          2HB       SER  47 -12.569  -6.495   5.030
  370   2HB   SER  47          3HB       SER  47 -12.111  -6.613   6.738
  371    HG   SER  47           HG       SER  47 -14.664  -6.801   5.523
  372    H    TYR  48           H        TYR  48 -11.366  -3.022   7.288
  373    HA   TYR  48           HA       TYR  48  -9.736  -2.765   4.844
  374   1HB   TYR  48          2HB       TYR  48  -9.932  -0.379   4.765
  375   2HB   TYR  48          3HB       TYR  48 -11.520  -1.101   4.584
  376    HD1  TYR  48           1HD      TYR  48 -13.218  -0.902   6.423
  377    HD2  TYR  48           2HD      TYR  48  -9.432   1.146   6.550
  378    HE1  TYR  48           1HE      TYR  48 -14.112   0.605   8.177
  379    HE2  TYR  48           2HE      TYR  48 -10.319   2.662   8.308
  380    HH   TYR  48           HH       TYR  48 -13.621   2.361   9.639
  381    H    LYS  49           H        LYS  49  -7.710  -2.071   5.120
  382    HA   LYS  49           HA       LYS  49  -6.583  -1.936   7.874
  383   1HB   LYS  49          2HB       LYS  49  -5.527  -3.446   6.236
  384   2HB   LYS  49          3HB       LYS  49  -5.343  -2.118   5.084
  385   1HG   LYS  49          2HG       LYS  49  -3.711  -1.025   6.557
  386   2HG   LYS  49          3HG       LYS  49  -3.974  -2.273   7.799
  387   1HD   LYS  49          2HD       LYS  49  -3.104  -3.995   6.216
  388   2HD   LYS  49          3HD       LYS  49  -2.913  -2.748   4.975
  389   1HE   LYS  49          2HE       LYS  49  -0.752  -3.157   5.932
  390   2HE   LYS  49          3HE       LYS  49  -1.281  -1.547   6.423
  391   1HZ   LYS  49          1HZ       LYS  49  -0.300  -2.802   8.259
  392   2HZ   LYS  49          2HZ       LYS  49  -1.856  -2.472   8.598
  393   3HZ   LYS  49          3HZ       LYS  49  -1.416  -3.978   8.131
  394    H    VAL  50           H        VAL  50  -5.176  -0.113   8.360
  395    HA   VAL  50           HA       VAL  50  -5.668   2.338   6.763
  396    HB   VAL  50           HB       VAL  50  -5.721   2.137   9.802
  397   1HG1  VAL  50          1HG1      VAL  50  -6.466   4.474   9.724
  398   2HG1  VAL  50          2HG1      VAL  50  -4.944   4.344   8.846
  399   3HG1  VAL  50          3HG1      VAL  50  -6.457   4.451   7.939
  400   1HG2  VAL  50          1HG2      VAL  50  -8.136   2.746   9.634
  401   2HG2  VAL  50          2HG2      VAL  50  -8.036   2.523   7.872
  402   3HG2  VAL  50          3HG2      VAL  50  -7.804   1.147   8.978
  403    H    VAL  51           H        VAL  51  -3.854   3.677   6.696
  404    HA   VAL  51           HA       VAL  51  -1.404   2.848   8.167
  405    HB   VAL  51           HB       VAL  51  -1.531   3.648   5.229
  406   1HG1  VAL  51          1HG1      VAL  51   0.496   4.475   6.428
  407   2HG1  VAL  51          2HG1      VAL  51   0.850   2.812   6.947
  408   3HG1  VAL  51          3HG1      VAL  51   0.887   3.250   5.223
  409   1HG2  VAL  51          1HG2      VAL  51  -0.858   0.955   6.481
  410   2HG2  VAL  51          2HG2      VAL  51  -2.265   1.326   5.457
  411   3HG2  VAL  51          3HG2      VAL  51  -0.647   1.382   4.767
  412    H    GLU  52           H        GLU  52  -1.788   4.441   9.682
  413    HA   GLU  52           HA       GLU  52  -2.533   7.150   8.869
  414   1HB   GLU  52          2HB       GLU  52  -1.899   6.049  11.637
  415   2HB   GLU  52          3HB       GLU  52  -2.574   7.646  11.238
  416   1HG   GLU  52          2HG       GLU  52  -4.459   6.409  10.035
  417   2HG   GLU  52          3HG       GLU  52  -3.857   4.924  10.782
  418    H    LEU  53           H        LEU  53  -0.870   7.681   7.549
  419    HA   LEU  53           HA       LEU  53   1.806   7.067   7.707
  420   1HB   LEU  53          2HB       LEU  53   0.407   9.483   6.496
  421   2HB   LEU  53          3HB       LEU  53   2.109   9.133   6.213
  422    HG   LEU  53           HG       LEU  53  -0.103   7.148   5.530
  423   1HD1  LEU  53          1HD1      LEU  53   1.231   9.217   3.740
  424   2HD1  LEU  53          2HD1      LEU  53   0.180   7.901   3.181
  425   3HD1  LEU  53          3HD1      LEU  53  -0.473   9.170   4.228
  426   1HD2  LEU  53          1HD2      LEU  53   2.183   6.167   5.739
  427   2HD2  LEU  53          2HD2      LEU  53   1.603   6.151   4.074
  428   3HD2  LEU  53          3HD2      LEU  53   2.788   7.375   4.585
  429    H    ASP  54           H        ASP  54   0.240   9.866   9.293
  430    HA   ASP  54           HA       ASP  54   2.651  11.261   9.865
  431   1HB   ASP  54          2HB       ASP  54   0.407  12.284   9.963
  432   2HB   ASP  54          3HB       ASP  54  -0.012  11.278  11.353
  433    H    GLU  55           H        GLU  55   1.364   8.375  11.372
  434    HA   GLU  55           HA       GLU  55   3.346   8.660  13.598
  435   1HB   GLU  55          2HB       GLU  55   0.715   7.134  13.596
  436   2HB   GLU  55          3HB       GLU  55   1.916   7.153  14.896
  437   1HG   GLU  55          2HG       GLU  55   1.624   9.708  14.928
  438   2HG   GLU  55          3HG       GLU  55   0.168   9.449  13.961
  439    H    LEU  56           H        LEU  56   2.973   7.202  10.651
  440    HA   LEU  56           HA       LEU  56   3.825   4.500  11.280
  441   1HB   LEU  56          2HB       LEU  56   2.666   5.098   9.160
  442   2HB   LEU  56          3HB       LEU  56   4.018   6.144   8.725
  443    HG   LEU  56           HG       LEU  56   5.528   4.133   8.694
  444   1HD1  LEU  56          1HD1      LEU  56   4.287   2.602  10.189
  445   2HD1  LEU  56          2HD1      LEU  56   2.924   2.578   9.050
  446   3HD1  LEU  56          3HD1      LEU  56   4.492   1.878   8.595
  447   1HD2  LEU  56          1HD2      LEU  56   3.103   3.977   6.878
  448   2HD2  LEU  56          2HD2      LEU  56   4.539   4.995   6.637
  449   3HD2  LEU  56          3HD2      LEU  56   4.689   3.231   6.587
  450    H    SER  57           H        SER  57   5.940   3.730  11.433
  451    HA   SER  57           HA       SER  57   7.925   5.339  12.410
  452   1HB   SER  57          2HB       SER  57   8.375   2.677  11.021
  453   2HB   SER  57          3HB       SER  57   9.248   3.345  12.412
  454    HG   SER  57           HG       SER  57   7.703   1.774  13.038
  455    H    ASP  58           H        ASP  58   7.227   4.884   9.016
  456    HA   ASP  58           HA       ASP  58   9.702   6.362   8.267
  457   1HB   ASP  58          2HB       ASP  58   9.873   3.883   7.863
  458   2HB   ASP  58          3HB       ASP  58   8.474   4.000   6.796
  459    H    GLY  59           H        GLY  59   6.960   7.169   8.878
  460   1HA   GLY  59          1HA       GLY  59   5.022   7.318   7.044
  461   2HA   GLY  59          2HA       GLY  59   5.408   8.635   8.161
  462    H    SER  60           H        SER  60   7.436  10.017   7.276
  463    HA   SER  60           HA       SER  60   6.488  11.436   5.125
  464   1HB   SER  60          2HB       SER  60   9.415  11.284   5.925
  465   2HB   SER  60          3HB       SER  60   8.549  12.668   5.232
  466    HG   SER  60           HG       SER  60   8.806  12.842   7.510
  467    H    GLN  61           H        GLN  61   8.880   8.752   4.959
  468    HA   GLN  61           HA       GLN  61   9.437   9.302   2.134
  469   1HB   GLN  61          2HB       GLN  61  10.145   6.835   3.773
  470   2HB   GLN  61          3HB       GLN  61  10.765   7.278   2.177
  471   1HG   GLN  61          2HG       GLN  61  11.579   9.476   3.284
  472   2HG   GLN  61          3HG       GLN  61  11.283   8.673   4.829
  473   1HE2  GLN  61          2HE2      GLN  61  12.389   6.392   5.027
  474   2HE2  GLN  61          1HE2      GLN  61  14.046   6.315   4.377
  475    H    LEU  62           H        LEU  62   7.369   7.087   4.027
  476    HA   LEU  62           HA       LEU  62   6.404   5.576   1.807
  477   1HB   LEU  62          2HB       LEU  62   6.216   5.327   4.480
  478   2HB   LEU  62          3HB       LEU  62   4.704   6.160   4.236
  479    HG   LEU  62           HG       LEU  62   4.377   3.779   4.353
  480   1HD1  LEU  62          1HD1      LEU  62   4.055   4.519   1.429
  481   2HD1  LEU  62          2HD1      LEU  62   3.148   3.290   2.326
  482   3HD1  LEU  62          3HD1      LEU  62   2.931   5.002   2.711
  483   1HD2  LEU  62          1HD2      LEU  62   6.673   3.138   3.601
  484   2HD2  LEU  62          2HD2      LEU  62   5.375   2.158   2.886
  485   3HD2  LEU  62          3HD2      LEU  62   6.169   3.413   1.926
  486    H    GLN  63           H        GLN  63   5.195   8.556   3.381
  487    HA   GLN  63           HA       GLN  63   2.975   9.085   1.721
  488   1HB   GLN  63          2HB       GLN  63   3.332  10.253   3.813
  489   2HB   GLN  63          3HB       GLN  63   4.898  10.842   3.289
  490   1HG   GLN  63          2HG       GLN  63   3.353  12.655   3.271
  491   2HG   GLN  63          3HG       GLN  63   3.841  12.322   1.622
  492   1HE2  GLN  63          2HE2      GLN  63   2.243  11.114   0.212
  493   2HE2  GLN  63          1HE2      GLN  63   0.540  11.430   0.523
  494    H    SER  64           H        SER  64   6.456   9.957   1.332
  495    HA   SER  64           HA       SER  64   6.089  11.478  -1.056
  496   1HB   SER  64          2HB       SER  64   8.539   9.914  -0.129
  497   2HB   SER  64          3HB       SER  64   8.509  11.190  -1.355
  498    HG   SER  64           HG       SER  64   7.902  11.430   1.426
  499    H    ALA  65           H        ALA  65   6.821   7.972  -0.554
  500    HA   ALA  65           HA       ALA  65   6.943   7.302  -3.319
  501   1HB   ALA  65          1HB       ALA  65   6.550   5.011  -2.561
  502   2HB   ALA  65          2HB       ALA  65   7.759   5.811  -1.546
  503   3HB   ALA  65          3HB       ALA  65   6.096   5.585  -0.945
  504    H    LEU  66           H        LEU  66   4.188   7.375  -1.012
  505    HA   LEU  66           HA       LEU  66   2.154   6.499  -2.746
  506   1HB   LEU  66          2HB       LEU  66   2.324   7.957  -0.192
  507   2HB   LEU  66          3HB       LEU  66   1.037   8.604  -1.172
  508    HG   LEU  66           HG       LEU  66   0.289   6.883   0.402
  509   1HD1  LEU  66          1HD1      LEU  66  -0.973   7.265  -1.700
  510   2HD1  LEU  66          2HD1      LEU  66  -0.056   5.948  -2.472
  511   3HD1  LEU  66          3HD1      LEU  66  -1.119   5.605  -1.095
  512   1HD2  LEU  66          1HD2      LEU  66   2.333   5.483   0.334
  513   2HD2  LEU  66          2HD2      LEU  66   0.842   4.543   0.141
  514   3HD2  LEU  66          3HD2      LEU  66   1.867   4.879  -1.265
  515    H    ALA  67           H        ALA  67   3.392   9.866  -2.291
  516    HA   ALA  67           HA       ALA  67   1.565  10.965  -4.183
  517   1HB   ALA  67          1HB       ALA  67   2.779  12.315  -2.468
  518   2HB   ALA  67          2HB       ALA  67   4.308  12.005  -3.318
  519   3HB   ALA  67          3HB       ALA  67   3.031  12.956  -4.105
  520    H    HIS  68           H        HIS  68   4.929   9.888  -4.578
  521    HA   HIS  68           HA       HIS  68   5.256  10.456  -7.320
  522   1HB   HIS  68          2HB       HIS  68   7.188   9.853  -6.183
  523   2HB   HIS  68          3HB       HIS  68   6.409   8.548  -5.303
  524    HD1  HIS  68           1HD      HIS  68   8.072   9.128  -8.726
  525    HD2  HIS  68           2HD      HIS  68   6.313   6.149  -6.320
  526    HE1  HIS  68           1HE      HIS  68   8.610   6.904  -9.842
  527    H    TRP  69           H        TRP  69   3.803   7.582  -5.730
  528    HA   TRP  69           HA       TRP  69   3.522   6.115  -8.178
  529   1HB   TRP  69          2HB       TRP  69   3.928   5.186  -5.941
  530   2HB   TRP  69          3HB       TRP  69   2.369   5.756  -5.384
  531    HD1  TRP  69           HD1      TRP  69   2.445   3.987  -8.772
  532    HE1  TRP  69           HE1      TRP  69   1.385   1.704  -8.560
  533    HE3  TRP  69           HE3      TRP  69   2.073   3.772  -3.674
  534    HZ2  TRP  69           HZ2      TRP  69   0.377  -0.017  -6.431
  535    HZ3  TRP  69           HZ3      TRP  69   1.043   1.788  -2.576
  536    HH2  TRP  69           HH2      TRP  69   0.180  -0.090  -3.952
  537    H    THR  70           H        THR  70   1.147   7.790  -6.032
  538    HA   THR  70           HA       THR  70  -1.086   6.854  -7.604
  539    HB   THR  70           HB       THR  70  -2.400   8.317  -6.061
  540    HG1  THR  70           1HG      THR  70   0.047   8.831  -4.750
  541   1HG2  THR  70          1HG2      THR  70  -1.879   7.060  -3.992
  542   2HG2  THR  70          2HG2      THR  70  -1.979   6.020  -5.420
  543   3HG2  THR  70          3HG2      THR  70  -0.393   6.444  -4.746
  544    H    GLY  71           H        GLY  71   0.906   9.742  -7.744
  545   1HA   GLY  71          1HA       GLY  71   0.768  11.633  -9.031
  546   2HA   GLY  71          2HA       GLY  71  -0.535  10.886  -9.983
  547    H    ARG  72           H        ARG  72  -0.800  11.045  -6.466
  548    HA   ARG  72           HA       ARG  72  -2.702  13.335  -6.588
  549   1HB   ARG  72          2HB       ARG  72  -3.906  11.142  -6.901
  550   2HB   ARG  72          3HB       ARG  72  -3.310  10.617  -5.326
  551   1HG   ARG  72          2HG       ARG  72  -4.466  12.668  -4.324
  552   2HG   ARG  72          3HG       ARG  72  -5.173  12.959  -5.918
  553   1HD   ARG  72          2HD       ARG  72  -5.600  10.567  -4.086
  554   2HD   ARG  72          3HD       ARG  72  -6.784  11.784  -4.520
  555    HE   ARG  72           HE       ARG  72  -5.764   9.534  -6.164
  556   1HH1  ARG  72          1HH2      ARG  72  -7.963  12.333  -6.016
  557   2HH1  ARG  72          2HH2      ARG  72  -8.859  11.877  -7.415
  558   1HH2  ARG  72          1HH1      ARG  72  -6.863   9.024  -8.112
  559   2HH2  ARG  72          2HH1      ARG  72  -8.214   9.955  -8.633
  560    H    GLY  73           H        GLY  73  -1.343  10.855  -4.339
  561   1HA   GLY  73          1HA       GLY  73   0.044  11.030  -2.565
  562   2HA   GLY  73          2HA       GLY  73   0.353  12.715  -3.016
  563    H    THR  74           H        THR  74  -2.348  13.749  -2.661
  564    HA   THR  74           HA       THR  74  -2.242  14.409   0.054
  565    HB   THR  74           HB       THR  74  -4.702  15.178  -0.511
  566    HG1  THR  74           1HG      THR  74  -5.143  15.248  -2.676
  567   1HG2  THR  74          1HG2      THR  74  -3.793  17.121  -1.741
  568   2HG2  THR  74          2HG2      THR  74  -2.740  16.670  -0.391
  569   3HG2  THR  74          3HG2      THR  74  -2.282  16.233  -2.052
  570    H    VAL  75           H        VAL  75  -3.326  13.765   1.864
  571    HA   VAL  75           HA       VAL  75  -4.430  11.048   1.814
  572    HB   VAL  75           HB       VAL  75  -4.506  11.426   4.334
  573   1HG1  VAL  75          1HG1      VAL  75  -2.787  10.080   3.220
  574   2HG1  VAL  75          2HG1      VAL  75  -1.811  11.534   2.927
  575   3HG1  VAL  75          3HG1      VAL  75  -2.103  10.975   4.587
  576   1HG2  VAL  75          1HG2      VAL  75  -2.664  13.788   3.766
  577   2HG2  VAL  75          2HG2      VAL  75  -4.357  13.937   4.300
  578   3HG2  VAL  75          3HG2      VAL  75  -3.173  13.147   5.336
  579    HA   PRO  76           HA       PRO  76  -5.806   9.822   3.120
  580   1HB   PRO  76          2HB       PRO  76  -8.173   8.523   2.836
  581   2HB   PRO  76          3HB       PRO  76  -7.795   9.479   4.300
  582   1HG   PRO  76          2HG       PRO  76  -9.379  10.340   1.861
  583   2HG   PRO  76          3HG       PRO  76  -9.827  10.521   3.586
  584   1HD   PRO  76          2HD       PRO  76  -8.676  12.548   2.133
  585   2HD   PRO  76          3HD       PRO  76  -8.351  12.328   3.876
  586    H    ASN  77           H        ASN  77  -5.622   7.970   1.672
  587    HA   ASN  77           HA       ASN  77  -6.636   8.301  -1.100
  588   1HB   ASN  77          2HB       ASN  77  -4.178   8.980  -0.938
  589   2HB   ASN  77          3HB       ASN  77  -3.822   7.310  -0.482
  590   1HD2  ASN  77          2HD2      ASN  77  -3.836   9.341  -3.096
  591   2HD2  ASN  77          1HD2      ASN  77  -4.254   8.209  -4.378
  592    H    VAL  78           H        VAL  78  -7.639   6.452  -1.732
  593    HA   VAL  78           HA       VAL  78  -7.565   4.201   0.218
  594    HB   VAL  78           HB       VAL  78  -9.889   5.129  -1.518
  595   1HG1  VAL  78          1HG1      VAL  78  -9.677   3.078   0.743
  596   2HG1  VAL  78          2HG1      VAL  78 -11.197   3.614   0.003
  597   3HG1  VAL  78          3HG1      VAL  78 -10.009   2.738  -0.965
  598   1HG2  VAL  78          1HG2      VAL  78 -10.884   5.890   0.659
  599   2HG2  VAL  78          2HG2      VAL  78  -9.313   5.596   1.440
  600   3HG2  VAL  78          3HG2      VAL  78  -9.482   6.842   0.182
  601    H    PHE  79           H        PHE  79  -7.016   2.304  -0.501
  602    HA   PHE  79           HA       PHE  79  -6.915   1.752  -3.420
  603   1HB   PHE  79          2HB       PHE  79  -5.159   0.850  -1.103
  604   2HB   PHE  79          3HB       PHE  79  -5.314  -0.118  -2.554
  605    HD1  PHE  79           1HD      PHE  79  -3.670   0.103  -4.162
  606    HD2  PHE  79           2HD      PHE  79  -4.571   3.505  -1.662
  607    HE1  PHE  79           1HE      PHE  79  -1.903   1.411  -5.291
  608    HE2  PHE  79           2HE      PHE  79  -2.766   4.783  -2.766
  609    HZ   PHE  79           HZ       PHE  79  -1.416   3.739  -4.576
  610    H    ILE  80           H        ILE  80  -7.923  -0.141  -4.064
  611    HA   ILE  80           HA       ILE  80  -9.040  -1.940  -2.041
  612    HB   ILE  80           HB       ILE  80 -10.791  -0.758  -4.247
  613   1HG1  ILE  80          2HG1      ILE  80 -10.885  -0.401  -1.233
  614   2HG1  ILE  80          3HG1      ILE  80 -10.523   0.849  -2.410
  615   1HG2  ILE  80          1HG2      ILE  80 -11.297  -2.924  -2.166
  616   2HG2  ILE  80          2HG2      ILE  80 -12.574  -2.192  -3.144
  617   3HG2  ILE  80          3HG2      ILE  80 -11.295  -3.085  -3.935
  618   1HD1  ILE  80          1HD1      ILE  80 -12.736   1.203  -1.604
  619   2HD1  ILE  80          2HD1      ILE  80 -12.864   0.670  -3.290
  620   3HD1  ILE  80          3HD1      ILE  80 -13.227  -0.453  -1.962
  621    H    GLY  81           H        GLY  81  -8.986  -4.044  -2.808
  622   1HA   GLY  81          1HA       GLY  81  -8.262  -5.807  -4.077
  623   2HA   GLY  81          2HA       GLY  81  -8.844  -4.902  -5.487
  624    H    GLY  82           H        GLY  82  -6.262  -3.654  -3.392
  625   1HA   GLY  82          1HA       GLY  82  -4.006  -3.471  -3.661
  626   2HA   GLY  82          2HA       GLY  82  -4.066  -4.652  -4.970
  627    H    LYS  83           H        LYS  83  -6.193  -1.856  -5.485
  628    HA   LYS  83           HA       LYS  83  -3.992  -0.381  -6.837
  629   1HB   LYS  83          2HB       LYS  83  -5.276  -0.042  -8.841
  630   2HB   LYS  83          3HB       LYS  83  -5.064  -1.772  -8.573
  631   1HG   LYS  83          2HG       LYS  83  -7.383  -1.938  -7.709
  632   2HG   LYS  83          3HG       LYS  83  -7.595  -0.187  -7.911
  633   1HD   LYS  83          2HD       LYS  83  -7.161  -0.457 -10.367
  634   2HD   LYS  83          3HD       LYS  83  -7.096  -2.220 -10.123
  635   1HE   LYS  83          2HE       LYS  83  -9.402  -2.144  -9.167
  636   2HE   LYS  83          3HE       LYS  83  -9.446  -0.396  -9.438
  637   1HZ   LYS  83          1HZ       LYS  83  -9.213  -2.445 -11.571
  638   2HZ   LYS  83          2HZ       LYS  83 -10.555  -1.595 -11.220
  639   3HZ   LYS  83          3HZ       LYS  83  -9.251  -0.830 -11.823
  640    H    GLN  84           H        GLN  84  -4.461   1.866  -7.206
  641    HA   GLN  84           HA       GLN  84  -5.830   3.146  -5.033
  642   1HB   GLN  84          2HB       GLN  84  -3.975   4.282  -6.103
  643   2HB   GLN  84          3HB       GLN  84  -4.739   4.163  -7.695
  644   1HG   GLN  84          2HG       GLN  84  -6.512   5.717  -7.013
  645   2HG   GLN  84          3HG       GLN  84  -5.879   5.764  -5.364
  646   1HE2  GLN  84          2HE2      GLN  84  -3.998   6.022  -8.479
  647   2HE2  GLN  84          1HE2      GLN  84  -3.508   7.678  -8.199
  648    H    ILE  85           H        ILE  85  -7.894   3.894  -4.903
  649    HA   ILE  85           HA       ILE  85  -9.669   3.668  -7.304
  650    HB   ILE  85           HB       ILE  85 -10.366   3.862  -4.345
  651   1HG1  ILE  85          2HG1      ILE  85  -9.509   1.656  -4.798
  652   2HG1  ILE  85          3HG1      ILE  85 -11.249   1.586  -4.599
  653   1HG2  ILE  85          1HG2      ILE  85 -12.084   4.982  -5.657
  654   2HG2  ILE  85          2HG2      ILE  85 -12.174   3.616  -6.785
  655   3HG2  ILE  85          3HG2      ILE  85 -12.704   3.426  -5.096
  656   1HD1  ILE  85          1HD1      ILE  85  -9.791   1.443  -7.274
  657   2HD1  ILE  85          2HD1      ILE  85 -10.493   0.091  -6.389
  658   3HD1  ILE  85          3HD1      ILE  85 -11.555   1.349  -7.043
  659    H    GLY  86           H        GLY  86  -8.721   5.825  -4.518
  660   1HA   GLY  86          1HA       GLY  86  -8.063   8.018  -5.964
  661   2HA   GLY  86          2HA       GLY  86  -9.819   8.161  -5.862
  662    H    GLY  87           H        GLY  87  -9.683  10.016  -4.604
  663   1HA   GLY  87          1HA       GLY  87  -8.417   9.854  -1.907
  664   2HA   GLY  87          2HA       GLY  87  -8.884  11.328  -2.760
  665    H    CYS  88           H        CYS  88  -9.880  11.625  -0.551
  666    HA   CYS  88           HA       CYS  88 -12.059  10.217   0.466
  667   1HB   CYS  88          2HB       CYS  88 -10.822  12.136   1.565
  668   2HB   CYS  88          3HB       CYS  88 -11.662  13.254   0.487
  669    HG   CYS  88           HG       CYS  88 -12.522  11.684   3.163
  670    H    ASP  89           H        ASP  89 -12.145  12.982  -1.845
  671    HA   ASP  89           HA       ASP  89 -14.971  13.065  -2.071
  672   1HB   ASP  89          2HB       ASP  89 -13.527  14.906  -2.789
  673   2HB   ASP  89          3HB       ASP  89 -12.797  13.890  -4.035
  674    H    THR  90           H        THR  90 -12.546  11.092  -3.845
  675    HA   THR  90           HA       THR  90 -14.310  10.174  -5.855
  676    HB   THR  90           HB       THR  90 -12.017   8.569  -4.673
  677    HG1  THR  90           1HG      THR  90 -11.842  10.804  -6.409
  678   1HG2  THR  90          1HG2      THR  90 -13.259   8.823  -7.437
  679   2HG2  THR  90          2HG2      THR  90 -11.705   8.020  -7.137
  680   3HG2  THR  90          3HG2      THR  90 -13.182   7.389  -6.389
  681    H    VAL  91           H        VAL  91 -13.426   8.674  -2.633
  682    HA   VAL  91           HA       VAL  91 -15.240   6.485  -3.161
  683    HB   VAL  91           HB       VAL  91 -14.919   5.874  -0.780
  684   1HG1  VAL  91          1HG1      VAL  91 -12.334   6.424  -2.319
  685   2HG1  VAL  91          2HG1      VAL  91 -12.601   5.185  -1.076
  686   3HG1  VAL  91          3HG1      VAL  91 -13.440   5.066  -2.625
  687   1HG2  VAL  91          1HG2      VAL  91 -12.942   8.188  -0.648
  688   2HG2  VAL  91          2HG2      VAL  91 -14.497   8.119   0.211
  689   3HG2  VAL  91          3HG2      VAL  91 -13.230   6.942   0.576
  690    H    VAL  92           H        VAL  92 -15.660   9.643  -1.472
  691    HA   VAL  92           HA       VAL  92 -18.245   8.987  -0.437
  692    HB   VAL  92           HB       VAL  92 -16.904  11.619  -1.177
  693   1HG1  VAL  92          1HG1      VAL  92 -19.566  11.238   0.270
  694   2HG1  VAL  92          2HG1      VAL  92 -18.660  12.762   0.156
  695   3HG1  VAL  92          3HG1      VAL  92 -19.327  12.032  -1.304
  696   1HG2  VAL  92          1HG2      VAL  92 -16.663  11.871   1.234
  697   2HG2  VAL  92          2HG2      VAL  92 -17.581  10.385   1.539
  698   3HG2  VAL  92          3HG2      VAL  92 -15.979  10.311   0.783
  699    H    GLU  93           H        GLU  93 -17.227  10.441  -3.624
  700    HA   GLU  93           HA       GLU  93 -19.892  10.729  -4.570
  701   1HB   GLU  93          2HB       GLU  93 -17.839  11.847  -5.513
  702   2HB   GLU  93          3HB       GLU  93 -17.380  10.299  -6.249
  703   1HG   GLU  93          2HG       GLU  93 -19.625  10.290  -7.427
  704   2HG   GLU  93          3HG       GLU  93 -19.957  11.878  -6.741
  705    H    LYS  94           H        LYS  94 -17.503   8.044  -5.029
  706    HA   LYS  94           HA       LYS  94 -19.267   6.404  -6.601
  707   1HB   LYS  94          2HB       LYS  94 -16.884   5.722  -4.839
  708   2HB   LYS  94          3HB       LYS  94 -17.748   4.538  -5.840
  709   1HG   LYS  94          2HG       LYS  94 -17.225   5.816  -7.880
  710   2HG   LYS  94          3HG       LYS  94 -16.445   7.069  -6.927
  711   1HD   LYS  94          2HD       LYS  94 -14.650   5.786  -7.740
  712   2HD   LYS  94          3HD       LYS  94 -14.833   5.303  -6.061
  713   1HE   LYS  94          2HE       LYS  94 -14.486   3.283  -7.215
  714   2HE   LYS  94          3HE       LYS  94 -16.225   3.305  -6.918
  715   1HZ   LYS  94          1HZ       LYS  94 -15.648   2.661  -9.202
  716   2HZ   LYS  94          2HZ       LYS  94 -16.550   4.022  -9.229
  717   3HZ   LYS  94          3HZ       LYS  94 -14.927   4.093  -9.475
  718    H    HIS  95           H        HIS  95 -19.073   6.855  -3.027
  719    HA   HIS  95           HA       HIS  95 -20.950   4.714  -2.554
  720   1HB   HIS  95          2HB       HIS  95 -19.471   5.665  -0.797
  721   2HB   HIS  95          3HB       HIS  95 -20.401   7.162  -0.843
  722    HD1  HIS  95           1HD      HIS  95 -21.358   3.380  -0.373
  723    HD2  HIS  95           2HD      HIS  95 -22.159   7.255   1.060
  724    HE1  HIS  95           1HE      HIS  95 -23.115   3.123   1.445
  725    H    GLN  96           H        GLN  96 -21.364   8.269  -3.196
  726    HA   GLN  96           HA       GLN  96 -24.200   8.226  -2.859
  727   1HB   GLN  96          2HB       GLN  96 -22.738  10.007  -4.850
  728   2HB   GLN  96          3HB       GLN  96 -24.322  10.251  -4.141
  729   1HG   GLN  96          2HG       GLN  96 -21.622  10.736  -2.952
  730   2HG   GLN  96          3HG       GLN  96 -23.010  11.780  -3.016
  731   1HE2  GLN  96          2HE2      GLN  96 -21.230   9.638  -1.053
  732   2HE2  GLN  96          1HE2      GLN  96 -22.349   9.580   0.306
  733    H    ARG  97           H        ARG  97 -22.145   7.554  -5.702
  734    HA   ARG  97           HA       ARG  97 -24.268   7.059  -7.574
  735   1HB   ARG  97          2HB       ARG  97 -21.370   6.113  -7.467
  736   2HB   ARG  97          3HB       ARG  97 -22.429   5.867  -8.851
  737   1HG   ARG  97          2HG       ARG  97 -22.653   8.264  -9.215
  738   2HG   ARG  97          3HG       ARG  97 -21.677   8.617  -7.783
  739   1HD   ARG  97          2HD       ARG  97 -19.757   7.392  -8.783
  740   2HD   ARG  97          3HD       ARG  97 -20.710   7.058 -10.229
  741    HE   ARG  97           HE       ARG  97 -19.396   9.562  -9.452
  742   1HH1  ARG  97          1HH2      ARG  97 -21.867   8.194 -11.634
  743   2HH1  ARG  97          2HH2      ARG  97 -21.745   9.494 -12.760
  744   1HH2  ARG  97          1HH1      ARG  97 -19.234  11.170 -10.843
  745   2HH2  ARG  97          2HH1      ARG  97 -20.185  11.281 -12.311
  746    H    ASN  98           H        ASN  98 -23.499   5.258  -4.813
  747    HA   ASN  98           HA       ASN  98 -23.625   3.145  -4.137
  748   1HB   ASN  98          2HB       ASN  98 -26.040   3.512  -4.508
  749   2HB   ASN  98          3HB       ASN  98 -25.878   2.859  -6.144
  750   1HD2  ASN  98          2HD2      ASN  98 -27.237   1.013  -5.784
  751   2HD2  ASN  98          1HD2      ASN  98 -26.781  -0.278  -4.704
  752    H    GLU  99           H        GLU  99 -21.573   3.611  -5.708
  753    HA   GLU  99           HA       GLU  99 -21.239   1.255  -7.503
  754   1HB   GLU  99          2HB       GLU  99 -21.293   3.526  -8.556
  755   2HB   GLU  99          3HB       GLU  99 -19.867   3.963  -7.607
  756   1HG   GLU  99          2HG       GLU  99 -18.599   2.116  -8.700
  757   2HG   GLU  99          3HG       GLU  99 -20.039   1.674  -9.622
  758    H    LEU 100           H        LEU 100 -19.927   3.154  -4.805
  759    HA   LEU 100           HA       LEU 100 -17.391   1.809  -4.609
  760   1HB   LEU 100          2HB       LEU 100 -17.917   3.960  -3.429
  761   2HB   LEU 100          3HB       LEU 100 -19.093   3.107  -2.430
  762    HG   LEU 100           HG       LEU 100 -17.211   1.686  -1.523
  763   1HD1  LEU 100          1HD1      LEU 100 -15.475   3.641  -3.097
  764   2HD1  LEU 100          2HD1      LEU 100 -14.883   2.544  -1.831
  765   3HD1  LEU 100          3HD1      LEU 100 -15.558   1.877  -3.317
  766   1HD2  LEU 100          1HD2      LEU 100 -16.284   3.460  -0.084
  767   2HD2  LEU 100          2HD2      LEU 100 -16.959   4.691  -1.175
  768   3HD2  LEU 100          3HD2      LEU 100 -18.035   3.605  -0.274
  769    H    LEU 101           H        LEU 101 -20.660   1.178  -3.276
  770    HA   LEU 101           HA       LEU 101 -19.844  -0.937  -1.583
  771   1HB   LEU 101          2HB       LEU 101 -21.836   0.345  -1.228
  772   2HB   LEU 101          3HB       LEU 101 -22.577  -0.206  -2.700
  773    HG   LEU 101           HG       LEU 101 -23.421  -1.190  -0.579
  774   1HD1  LEU 101          1HD1      LEU 101 -22.342  -3.310  -2.466
  775   2HD1  LEU 101          2HD1      LEU 101 -23.721  -3.447  -1.366
  776   3HD1  LEU 101          3HD1      LEU 101 -23.794  -2.326  -2.735
  777   1HD2  LEU 101          1HD2      LEU 101 -20.817  -2.765  -0.474
  778   2HD2  LEU 101          2HD2      LEU 101 -21.234  -1.390   0.577
  779   3HD2  LEU 101          3HD2      LEU 101 -22.196  -2.880   0.634
  780    HA   PRO 102           HA       PRO 102 -20.896  -3.971  -5.280
  781   1HB   PRO 102          2HB       PRO 102 -20.232  -1.949  -7.442
  782   2HB   PRO 102          3HB       PRO 102 -21.192  -3.458  -7.572
  783   1HG   PRO 102          2HG       PRO 102 -22.438  -1.073  -7.308
  784   2HG   PRO 102          3HG       PRO 102 -23.011  -2.491  -6.372
  785   1HD   PRO 102          2HD       PRO 102 -21.373  -0.158  -5.411
  786   2HD   PRO 102          3HD       PRO 102 -22.654  -1.087  -4.590
  787    H    LEU 103           H        LEU 103 -18.400  -1.344  -5.643
  788    HA   LEU 103           HA       LEU 103 -16.399  -3.125  -6.625
  789   1HB   LEU 103          2HB       LEU 103 -16.589  -0.549  -6.752
  790   2HB   LEU 103          3HB       LEU 103 -15.897  -0.511  -5.143
  791    HG   LEU 103           HG       LEU 103 -14.321  -0.044  -6.979
  792   1HD1  LEU 103          1HD1      LEU 103 -13.468  -2.597  -5.592
  793   2HD1  LEU 103          2HD1      LEU 103 -12.447  -1.318  -6.251
  794   3HD1  LEU 103          3HD1      LEU 103 -13.480  -0.975  -4.856
  795   1HD2  LEU 103          1HD2      LEU 103 -13.531  -1.698  -8.530
  796   2HD2  LEU 103          2HD2      LEU 103 -14.547  -2.961  -7.814
  797   3HD2  LEU 103          3HD2      LEU 103 -15.293  -1.596  -8.680
  798    H    LEU 104           H        LEU 104 -17.211  -1.996  -3.322
  799    HA   LEU 104           HA       LEU 104 -15.110  -3.379  -1.950
  800   1HB   LEU 104          2HB       LEU 104 -17.891  -2.450  -1.136
  801   2HB   LEU 104          3HB       LEU 104 -16.819  -3.277  -0.024
  802    HG   LEU 104           HG       LEU 104 -15.967  -0.706  -1.430
  803   1HD1  LEU 104          1HD1      LEU 104 -16.594   0.449   0.669
  804   2HD1  LEU 104          2HD1      LEU 104 -18.003  -0.241  -0.152
  805   3HD1  LEU 104          3HD1      LEU 104 -17.329  -1.057   1.269
  806   1HD2  LEU 104          1HD2      LEU 104 -15.000  -2.109   1.098
  807   2HD2  LEU 104          2HD2      LEU 104 -14.149  -2.077  -0.459
  808   3HD2  LEU 104          3HD2      LEU 104 -14.378  -0.576   0.447
  809    H    GLN 105           H        GLN 105 -18.422  -4.401  -2.930
  810    HA   GLN 105           HA       GLN 105 -18.242  -6.982  -1.709
  811   1HB   GLN 105          2HB       GLN 105 -19.891  -6.008  -4.072
  812   2HB   GLN 105          3HB       GLN 105 -20.125  -7.559  -3.278
  813   1HG   GLN 105          2HG       GLN 105 -20.292  -5.035  -1.613
  814   2HG   GLN 105          3HG       GLN 105 -21.607  -5.460  -2.699
  815   1HE2  GLN 105          2HE2      GLN 105 -22.748  -7.513  -2.390
  816   2HE2  GLN 105          1HE2      GLN 105 -22.797  -8.214  -0.796
  817    H    ASP 106           H        ASP 106 -17.299  -5.755  -4.934
  818    HA   ASP 106           HA       ASP 106 -16.555  -8.277  -6.081
  819   1HB   ASP 106          2HB       ASP 106 -16.849  -6.370  -7.501
  820   2HB   ASP 106          3HB       ASP 106 -15.625  -5.448  -6.638
  821    H    ALA 107           H        ALA 107 -14.731  -5.929  -4.074
  822    HA   ALA 107           HA       ALA 107 -12.353  -7.597  -3.959
  823   1HB   ALA 107          1HB       ALA 107 -13.269  -5.308  -2.161
  824   2HB   ALA 107          2HB       ALA 107 -11.627  -5.980  -2.265
  825   3HB   ALA 107          3HB       ALA 107 -12.326  -5.141  -3.659
  826    H    ALA 108           H        ALA 108 -15.386  -8.155  -2.732
  827    HA   ALA 108           HA       ALA 108 -16.383  -9.087  -0.992
  828   1HB   ALA 108          1HB       ALA 108 -15.519 -11.243  -0.231
  829   2HB   ALA 108          2HB       ALA 108 -15.346 -11.075  -1.984
  830   3HB   ALA 108          3HB       ALA 108 -13.926 -10.876  -0.928
  831    H    ALA 109           H        ALA 109 -14.893  -6.723  -0.348
  832    HA   ALA 109           HA       ALA 109 -13.534  -7.099   2.207
  833   1HB   ALA 109          1HB       ALA 109 -13.383  -4.651   2.155
  834   2HB   ALA 109          2HB       ALA 109 -12.920  -5.330   0.577
  835   3HB   ALA 109          3HB       ALA 109 -14.514  -4.577   0.785
  836    H    THR 110           H        THR 110 -16.768  -5.898   1.106
  837    HA   THR 110           HA       THR 110 -17.704  -5.392   3.806
  838    HB   THR 110           HB       THR 110 -19.931  -5.308   2.364
  839    HG1  THR 110           1HG      THR 110 -19.515  -5.956   0.417
  840   1HG2  THR 110          1HG2      THR 110 -18.935  -3.297   3.238
  841   2HG2  THR 110          2HG2      THR 110 -17.597  -3.376   2.076
  842   3HG2  THR 110          3HG2      THR 110 -19.247  -3.032   1.512
  843    H    ALA 111           H        ALA 111 -17.635  -8.118   1.605
  844    HA   ALA 111           HA       ALA 111 -18.332 -10.256   1.710
  845   1HB   ALA 111          1HB       ALA 111 -16.493 -10.162   3.391
  846   2HB   ALA 111          2HB       ALA 111 -17.704  -9.924   4.671
  847   3HB   ALA 111          3HB       ALA 111 -17.678 -11.431   3.732
  848    H    LYS 112           H        LYS 112 -20.580  -8.315   1.987
  849    HA   LYS 112           HA       LYS 112 -22.571  -9.730   3.612
  850   1HB   LYS 112          2HB       LYS 112 -23.062  -8.003   1.147
  851   2HB   LYS 112          3HB       LYS 112 -24.225  -8.449   2.394
  852   1HG   LYS 112          2HG       LYS 112 -22.918  -7.139   4.067
  853   2HG   LYS 112          3HG       LYS 112 -21.769  -6.679   2.797
  854   1HD   LYS 112          2HD       LYS 112 -23.703  -5.658   1.517
  855   2HD   LYS 112          3HD       LYS 112 -24.707  -5.897   2.956
  856   1HE   LYS 112          2HE       LYS 112 -22.107  -4.293   2.795
  857   2HE   LYS 112          3HE       LYS 112 -23.726  -3.595   2.790
  858   1HZ   LYS 112          1HZ       LYS 112 -22.562  -3.580   4.958
  859   2HZ   LYS 112          2HZ       LYS 112 -24.042  -4.300   5.031
  860   3HZ   LYS 112          3HZ       LYS 112 -22.670  -5.199   5.046
  861    H    ASN 113           H        ASN 113 -21.148  -9.798   0.412
  862    HA   ASN 113           HA       ASN 113 -22.582 -12.154  -0.556
  863   1HB   ASN 113          2HB       ASN 113 -21.042 -11.922  -2.468
  864   2HB   ASN 113          3HB       ASN 113 -21.939 -10.443  -2.187
  865   1HD2  ASN 113          2HD2      ASN 113 -19.082 -11.301  -3.290
  866   2HD2  ASN 113          1HD2      ASN 113 -18.146  -9.908  -2.731
  867    HA   PRO 114           HA       PRO 114 -19.440 -14.577   1.616
  868   1HB   PRO 114          2HB       PRO 114 -20.048 -17.096   0.729
  869   2HB   PRO 114          3HB       PRO 114 -21.102 -16.171   1.840
  870   1HG   PRO 114          2HG       PRO 114 -21.345 -16.421  -1.177
  871   2HG   PRO 114          3HG       PRO 114 -22.626 -16.644   0.059
  872   1HD   PRO 114          2HD       PRO 114 -22.295 -14.274  -1.274
  873   2HD   PRO 114          3HD       PRO 114 -22.768 -14.304   0.456
  874    H    ALA 115           H        ALA 115 -19.582 -14.326  -1.870
  875    HA   ALA 115           HA       ALA 115 -16.710 -14.869  -2.104
  876   1HB   ALA 115          1HB       ALA 115 -18.827 -16.219  -3.857
  877   2HB   ALA 115          2HB       ALA 115 -17.073 -16.264  -4.127
  878   3HB   ALA 115          3HB       ALA 115 -17.764 -17.045  -2.693
  879    H    GLN 116           H        GLN 116 -15.899 -13.854  -4.064
  880    HA   GLN 116           HA       GLN 116 -16.547 -11.214  -4.199
  881   1HB   GLN 116          2HB       GLN 116 -15.229 -12.905  -6.359
  882   2HB   GLN 116          3HB       GLN 116 -15.222 -11.140  -6.314
  883   1HG   GLN 116          2HG       GLN 116 -14.080 -11.213  -4.088
  884   2HG   GLN 116          3HG       GLN 116 -14.013 -12.976  -4.192
  885   1HE2  GLN 116          2HE2      GLN 116 -12.969  -9.965  -5.829
  886   2HE2  GLN 116          1HE2      GLN 116 -11.522 -10.648  -6.565
  887    H    LEU 117           H        LEU 117 -17.806  -9.861  -5.275
  888    HA   LEU 117           HA       LEU 117 -20.303 -10.585  -6.183
  889   1HB   LEU 117          2HB       LEU 117 -19.471  -8.344  -5.379
  890   2HB   LEU 117          3HB       LEU 117 -18.769  -8.066  -6.961
  891    HG   LEU 117           HG       LEU 117 -20.882  -6.883  -6.518
  892   1HD1  LEU 117          1HD1      LEU 117 -21.294  -8.821  -8.816
  893   2HD1  LEU 117          2HD1      LEU 117 -21.929  -7.183  -8.632
  894   3HD1  LEU 117          3HD1      LEU 117 -20.191  -7.426  -8.859
  895   1HD2  LEU 117          1HD2      LEU 117 -22.270  -9.588  -6.642
  896   2HD2  LEU 117          2HD2      LEU 117 -21.984  -8.653  -5.157
  897   3HD2  LEU 117          3HD2      LEU 117 -23.018  -7.996  -6.435
  Start of MODEL    8
    1   1H    MET   1           H1       MET   1  22.057  11.364  -6.996
    2   2H    MET   1           H2       MET   1  20.653  12.019  -6.478
    3   3H    MET   1           H3       MET   1  22.057  12.863  -6.341
    4    HA   MET   1           HA       MET   1  22.929  11.257  -4.785
    5   1HB   MET   1          2HB       MET   1  20.203  12.387  -3.989
    6   2HB   MET   1          3HB       MET   1  21.353  11.648  -2.874
    7   1HG   MET   1          2HG       MET   1  23.047  13.367  -3.456
    8   2HG   MET   1          3HG       MET   1  21.880  14.134  -4.535
    9   1HE   MET   1          1HE       MET   1  21.518  12.655  -0.790
   10   2HE   MET   1          2HE       MET   1  23.057  13.543  -0.875
   11   3HE   MET   1          3HE       MET   1  21.715  14.178   0.099
   12    H    ALA   2           H        ALA   2  22.556   9.377  -3.427
   13    HA   ALA   2           HA       ALA   2  21.205   7.228  -4.788
   14   1HB   ALA   2          1HB       ALA   2  22.447   7.353  -2.001
   15   2HB   ALA   2          2HB       ALA   2  22.012   5.881  -2.894
   16   3HB   ALA   2          3HB       ALA   2  23.303   6.930  -3.506
   17    H    SER   3           H        SER   3  19.992   9.609  -2.599
   18    HA   SER   3           HA       SER   3  18.306   8.335  -0.914
   19   1HB   SER   3          2HB       SER   3  17.545  10.881  -2.369
   20   2HB   SER   3          3HB       SER   3  17.235  10.437  -0.681
   21    HG   SER   3           HG       SER   3  18.962  11.888  -0.812
   22    H    LYS   4           H        LYS   4  17.800   8.559  -4.386
   23    HA   LYS   4           HA       LYS   4  15.031   8.048  -4.543
   24   1HB   LYS   4          2HB       LYS   4  15.483   7.082  -6.727
   25   2HB   LYS   4          3HB       LYS   4  16.393   8.572  -6.488
   26   1HG   LYS   4          2HG       LYS   4  18.458   7.235  -6.028
   27   2HG   LYS   4          3HG       LYS   4  17.529   5.747  -6.214
   28   1HD   LYS   4          2HD       LYS   4  18.727   6.107  -8.257
   29   2HD   LYS   4          3HD       LYS   4  17.010   6.331  -8.554
   30   1HE   LYS   4          2HE       LYS   4  18.142   8.034  -9.761
   31   2HE   LYS   4          3HE       LYS   4  17.343   8.829  -8.408
   32   1HZ   LYS   4          1HZ       LYS   4  19.508   8.905  -7.268
   33   2HZ   LYS   4          2HZ       LYS   4  20.220   8.101  -8.511
   34   3HZ   LYS   4          3HZ       LYS   4  19.620   9.593  -8.746
   35    H    GLN   5           H        GLN   5  17.628   5.823  -3.508
   36    HA   GLN   5           HA       GLN   5  16.016   3.477  -3.837
   37   1HB   GLN   5          2HB       GLN   5  18.479   3.431  -3.690
   38   2HB   GLN   5          3HB       GLN   5  18.402   3.960  -2.007
   39   1HG   GLN   5          2HG       GLN   5  18.801   1.528  -2.223
   40   2HG   GLN   5          3HG       GLN   5  17.324   1.874  -1.341
   41   1HE2  GLN   5          2HE2      GLN   5  15.277   1.374  -2.326
   42   2HE2  GLN   5          1HE2      GLN   5  15.112   0.391  -3.763
   43    H    GLU   6           H        GLU   6  16.122   5.984  -1.275
   44    HA   GLU   6           HA       GLU   6  14.651   4.340   0.636
   45   1HB   GLU   6          2HB       GLU   6  15.001   7.366   0.448
   46   2HB   GLU   6          3HB       GLU   6  14.148   6.507   1.732
   47   1HG   GLU   6          2HG       GLU   6  16.261   5.230   2.227
   48   2HG   GLU   6          3HG       GLU   6  17.104   6.251   1.056
   49    H    LEU   7           H        LEU   7  13.827   6.705  -1.947
   50    HA   LEU   7           HA       LEU   7  11.018   6.715  -1.441
   51   1HB   LEU   7          2HB       LEU   7  12.238   8.381  -2.860
   52   2HB   LEU   7          3HB       LEU   7  12.505   7.126  -4.070
   53    HG   LEU   7           HG       LEU   7  10.017   6.899  -4.351
   54   1HD1  LEU   7          1HD1      LEU   7   8.597   8.784  -3.504
   55   2HD1  LEU   7          2HD1      LEU   7   9.197   7.749  -2.202
   56   3HD1  LEU   7          3HD1      LEU   7   9.953   9.330  -2.500
   57   1HD2  LEU   7          1HD2      LEU   7  11.137   9.698  -4.786
   58   2HD2  LEU   7          2HD2      LEU   7  11.366   8.302  -5.860
   59   3HD2  LEU   7          3HD2      LEU   7   9.748   8.977  -5.628
   60    H    ASP   8           H        ASP   8  13.076   4.650  -3.544
   61    HA   ASP   8           HA       ASP   8  10.925   3.061  -4.575
   62   1HB   ASP   8          2HB       ASP   8  13.055   3.141  -5.716
   63   2HB   ASP   8          3HB       ASP   8  13.913   2.599  -4.278
   64    H    ALA   9           H        ALA   9  13.012   2.648  -1.655
   65    HA   ALA   9           HA       ALA   9  11.910   0.073  -0.993
   66   1HB   ALA   9          1HB       ALA   9  13.176   2.204   0.802
   67   2HB   ALA   9          2HB       ALA   9  12.871   0.513   1.251
   68   3HB   ALA   9          3HB       ALA   9  14.040   0.889  -0.030
   69    H    ALA  10           H        ALA  10  11.006   3.450  -0.145
   70    HA   ALA  10           HA       ALA  10   8.803   2.782   1.535
   71   1HB   ALA  10          1HB       ALA  10   8.070   5.100   1.039
   72   2HB   ALA  10          2HB       ALA  10   9.776   5.017   1.509
   73   3HB   ALA  10          3HB       ALA  10   9.330   5.238  -0.196
   74    H    LEU  11           H        LEU  11   9.025   3.226  -2.055
   75    HA   LEU  11           HA       LEU  11   6.259   2.784  -2.566
   76   1HB   LEU  11          2HB       LEU  11   7.827   3.656  -4.269
   77   2HB   LEU  11          3HB       LEU  11   8.698   2.125  -4.272
   78    HG   LEU  11           HG       LEU  11   6.685   0.946  -5.144
   79   1HD1  LEU  11          1HD1      LEU  11   4.821   2.391  -6.058
   80   2HD1  LEU  11          2HD1      LEU  11   4.861   2.289  -4.298
   81   3HD1  LEU  11          3HD1      LEU  11   5.488   3.740  -5.109
   82   1HD2  LEU  11          1HD2      LEU  11   8.381   1.794  -6.683
   83   2HD2  LEU  11          2HD2      LEU  11   6.770   1.926  -7.407
   84   3HD2  LEU  11          3HD2      LEU  11   7.568   3.369  -6.748
   85    H    LYS  12           H        LYS  12   8.975   0.427  -2.348
   86    HA   LYS  12           HA       LYS  12   7.373  -1.842  -2.870
   87   1HB   LYS  12          2HB       LYS  12   9.833  -1.844  -2.873
   88   2HB   LYS  12          3HB       LYS  12   9.869  -1.531  -1.134
   89   1HG   LYS  12          2HG       LYS  12   8.827  -3.718  -0.685
   90   2HG   LYS  12          3HG       LYS  12   8.719  -4.037  -2.430
   91   1HD   LYS  12          2HD       LYS  12  11.169  -3.959  -2.628
   92   2HD   LYS  12          3HD       LYS  12  11.320  -3.517  -0.911
   93   1HE   LYS  12          2HE       LYS  12  10.288  -5.650  -0.247
   94   2HE   LYS  12          3HE       LYS  12  10.080  -6.102  -1.947
   95   1HZ   LYS  12          1HZ       LYS  12  12.689  -5.683  -0.602
   96   2HZ   LYS  12          2HZ       LYS  12  12.045  -7.126  -0.992
   97   3HZ   LYS  12          3HZ       LYS  12  12.497  -6.100  -2.171
   98    H    LYS  13           H        LYS  13   8.124  -0.250   0.291
   99    HA   LYS  13           HA       LYS  13   6.535  -2.034   1.812
  100   1HB   LYS  13          2HB       LYS  13   8.219  -0.400   2.732
  101   2HB   LYS  13          3HB       LYS  13   7.114   0.915   2.370
  102   1HG   LYS  13          2HG       LYS  13   7.030   0.282   4.748
  103   2HG   LYS  13          3HG       LYS  13   5.473   0.072   3.962
  104   1HD   LYS  13          2HD       LYS  13   5.924  -1.772   5.502
  105   2HD   LYS  13          3HD       LYS  13   5.806  -2.366   3.849
  106   1HE   LYS  13          2HE       LYS  13   8.391  -2.216   3.769
  107   2HE   LYS  13          3HE       LYS  13   8.329  -1.924   5.511
  108   1HZ   LYS  13          1HZ       LYS  13   8.664  -4.243   5.076
  109   2HZ   LYS  13          2HZ       LYS  13   7.153  -4.100   5.677
  110   3HZ   LYS  13          3HZ       LYS  13   7.390  -4.330   4.056
  111    H    ALA  14           H        ALA  14   5.611   1.061   0.179
  112    HA   ALA  14           HA       ALA  14   2.934   1.098   1.038
  113   1HB   ALA  14          1HB       ALA  14   4.050   2.979  -0.141
  114   2HB   ALA  14          2HB       ALA  14   4.026   2.037  -1.650
  115   3HB   ALA  14          3HB       ALA  14   2.503   2.523  -0.888
  116    H    LYS  15           H        LYS  15   4.388  -0.607  -1.809
  117    HA   LYS  15           HA       LYS  15   1.907  -1.631  -2.780
  118   1HB   LYS  15          2HB       LYS  15   4.781  -2.584  -3.078
  119   2HB   LYS  15          3HB       LYS  15   3.414  -3.407  -3.840
  120   1HG   LYS  15          2HG       LYS  15   2.795  -1.435  -5.081
  121   2HG   LYS  15          3HG       LYS  15   4.037  -0.455  -4.282
  122   1HD   LYS  15          2HD       LYS  15   5.806  -1.838  -5.295
  123   2HD   LYS  15          3HD       LYS  15   4.579  -2.895  -6.032
  124   1HE   LYS  15          2HE       LYS  15   3.667  -0.932  -7.280
  125   2HE   LYS  15          3HE       LYS  15   4.936   0.086  -6.592
  126   1HZ   LYS  15          1HZ       LYS  15   5.385  -2.254  -8.363
  127   2HZ   LYS  15          2HZ       LYS  15   5.524  -0.697  -8.807
  128   3HZ   LYS  15          3HZ       LYS  15   6.574  -1.329  -7.731
  129    H    GLU  16           H        GLU  16   4.252  -3.036  -0.409
  130    HA   GLU  16           HA       GLU  16   2.797  -5.461  -0.025
  131   1HB   GLU  16          2HB       GLU  16   4.576  -3.881   1.882
  132   2HB   GLU  16          3HB       GLU  16   3.901  -5.471   2.248
  133   1HG   GLU  16          2HG       GLU  16   5.033  -6.409   0.241
  134   2HG   GLU  16          3HG       GLU  16   5.804  -4.851  -0.046
  135    H    LEU  17           H        LEU  17   2.615  -2.321   1.732
  136    HA   LEU  17           HA       LEU  17   0.569  -3.059   3.545
  137   1HB   LEU  17          2HB       LEU  17   1.351  -0.378   2.336
  138   2HB   LEU  17          3HB       LEU  17   0.118  -0.527   3.582
  139    HG   LEU  17           HG       LEU  17   2.979  -1.512   3.973
  140   1HD1  LEU  17          1HD1      LEU  17   3.017   0.902   3.556
  141   2HD1  LEU  17          2HD1      LEU  17   1.740   1.157   4.765
  142   3HD1  LEU  17          3HD1      LEU  17   3.341   0.571   5.263
  143   1HD2  LEU  17          1HD2      LEU  17   0.742  -0.932   5.960
  144   2HD2  LEU  17          2HD2      LEU  17   1.375  -2.538   5.523
  145   3HD2  LEU  17          3HD2      LEU  17   2.406  -1.389   6.374
  146    H    ALA  18           H        ALA  18   0.315  -1.530   0.307
  147    HA   ALA  18           HA       ALA  18  -2.489  -1.306   0.183
  148   1HB   ALA  18          1HB       ALA  18  -0.941  -0.153  -1.348
  149   2HB   ALA  18          2HB       ALA  18  -0.466  -1.717  -2.054
  150   3HB   ALA  18          3HB       ALA  18  -2.125  -1.120  -2.248
  151    H    SER  19           H        SER  19  -0.481  -4.173  -0.096
  152    HA   SER  19           HA       SER  19  -2.651  -5.726  -1.392
  153   1HB   SER  19          2HB       SER  19   0.212  -6.513  -0.721
  154   2HB   SER  19          3HB       SER  19  -0.931  -7.397  -1.749
  155    HG   SER  19           HG       SER  19   0.346  -4.906  -2.202
  156    H    SER  20           H        SER  20  -1.719  -4.921   1.776
  157    HA   SER  20           HA       SER  20  -1.772  -7.561   2.941
  158   1HB   SER  20          2HB       SER  20  -1.855  -4.773   4.150
  159   2HB   SER  20          3HB       SER  20  -1.656  -6.268   5.074
  160    HG   SER  20           HG       SER  20   0.085  -5.483   2.947
  161    H    ALA  21           H        ALA  21  -4.387  -5.532   1.941
  162    HA   ALA  21           HA       ALA  21  -6.330  -7.235   3.293
  163   1HB   ALA  21          1HB       ALA  21  -5.957  -5.528   5.028
  164   2HB   ALA  21          2HB       ALA  21  -6.155  -4.229   3.832
  165   3HB   ALA  21          3HB       ALA  21  -7.533  -5.232   4.283
  166    HA   PRO  22           HA       PRO  22  -8.434  -6.283  -0.502
  167   1HB   PRO  22          2HB       PRO  22 -11.114  -6.276   0.129
  168   2HB   PRO  22          3HB       PRO  22 -10.106  -7.753   0.074
  169   1HG   PRO  22          2HG       PRO  22 -10.812  -6.077   2.506
  170   2HG   PRO  22          3HG       PRO  22 -10.948  -7.856   2.312
  171   1HD   PRO  22          2HD       PRO  22  -8.814  -6.765   3.534
  172   2HD   PRO  22          3HD       PRO  22  -8.589  -8.129   2.407
  173    H    VAL  23           H        VAL  23  -8.754  -4.057   2.176
  174    HA   VAL  23           HA       VAL  23  -9.083  -1.852   0.270
  175    HB   VAL  23           HB       VAL  23 -10.644  -2.057   2.878
  176   1HG1  VAL  23          1HG1      VAL  23 -11.743   0.051   2.116
  177   2HG1  VAL  23          2HG1      VAL  23 -10.022   0.260   2.447
  178   3HG1  VAL  23          3HG1      VAL  23 -10.590   0.143   0.774
  179   1HG2  VAL  23          1HG2      VAL  23 -11.691  -2.195   0.038
  180   2HG2  VAL  23          2HG2      VAL  23 -11.699  -3.479   1.260
  181   3HG2  VAL  23          3HG2      VAL  23 -12.681  -2.037   1.514
  182    H    VAL  24           H        VAL  24  -7.676  -0.193   0.860
  183    HA   VAL  24           HA       VAL  24  -6.369  -0.329   3.499
  184    HB   VAL  24           HB       VAL  24  -4.791  -0.178   0.901
  185   1HG1  VAL  24          1HG1      VAL  24  -3.897  -0.359   3.817
  186   2HG1  VAL  24          2HG1      VAL  24  -2.825  -0.422   2.404
  187   3HG1  VAL  24          3HG1      VAL  24  -3.722   1.052   2.747
  188   1HG2  VAL  24          1HG2      VAL  24  -3.890  -2.412   1.555
  189   2HG2  VAL  24          2HG2      VAL  24  -5.073  -2.494   2.858
  190   3HG2  VAL  24          3HG2      VAL  24  -5.592  -2.479   1.157
  191    H    VAL  25           H        VAL  25  -6.012   1.738   4.285
  192    HA   VAL  25           HA       VAL  25  -6.426   4.003   2.388
  193    HB   VAL  25           HB       VAL  25  -7.211   4.223   5.290
  194   1HG1  VAL  25          1HG1      VAL  25  -7.059   6.182   3.702
  195   2HG1  VAL  25          2HG1      VAL  25  -8.347   5.441   2.741
  196   3HG1  VAL  25          3HG1      VAL  25  -8.661   5.956   4.417
  197   1HG2  VAL  25          1HG2      VAL  25  -9.016   3.001   3.164
  198   2HG2  VAL  25          2HG2      VAL  25  -8.518   2.269   4.701
  199   3HG2  VAL  25          3HG2      VAL  25  -9.574   3.680   4.710
  200    H    PHE  26           H        PHE  26  -4.636   5.171   2.191
  201    HA   PHE  26           HA       PHE  26  -2.601   5.197   4.368
  202   1HB   PHE  26          2HB       PHE  26  -2.581   6.340   1.545
  203   2HB   PHE  26          3HB       PHE  26  -1.272   6.471   2.708
  204    HD1  PHE  26           1HD      PHE  26  -0.005   4.413   3.430
  205    HD2  PHE  26           2HD      PHE  26  -2.997   4.261   0.327
  206    HE1  PHE  26           1HE      PHE  26   0.842   2.195   2.713
  207    HE2  PHE  26           2HE      PHE  26  -2.141   2.042  -0.385
  208    HZ   PHE  26           HZ       PHE  26  -0.222   1.008   0.805
  209    H    SER  27           H        SER  27  -3.024   6.675   5.895
  210    HA   SER  27           HA       SER  27  -4.592   9.142   5.299
  211   1HB   SER  27          2HB       SER  27  -4.989   7.006   7.447
  212   2HB   SER  27          3HB       SER  27  -5.870   8.534   7.379
  213    HG   SER  27           HG       SER  27  -7.053   6.856   6.424
  214    H    LYS  28           H        LYS  28  -4.723  10.220   7.761
  215    HA   LYS  28           HA       LYS  28  -2.146   9.957   9.155
  216   1HB   LYS  28          2HB       LYS  28  -3.270  12.571   8.090
  217   2HB   LYS  28          3HB       LYS  28  -2.183  12.516   9.488
  218   1HG   LYS  28          2HG       LYS  28  -0.514  11.263   8.124
  219   2HG   LYS  28          3HG       LYS  28  -1.562  11.435   6.712
  220   1HD   LYS  28          2HD       LYS  28  -1.365  13.929   6.921
  221   2HD   LYS  28          3HD       LYS  28  -0.228  13.692   8.271
  222   1HE   LYS  28          2HE       LYS  28   1.241  12.331   6.776
  223   2HE   LYS  28          3HE       LYS  28   0.104  12.572   5.446
  224   1HZ   LYS  28          1HZ       LYS  28   1.857  14.077   5.199
  225   2HZ   LYS  28          2HZ       LYS  28   0.573  14.985   5.642
  226   3HZ   LYS  28          3HZ       LYS  28   1.753  14.661   6.735
  227    H    THR  29           H        THR  29  -2.359  11.150  11.326
  228    HA   THR  29           HA       THR  29  -4.257   9.598  12.703
  229    HB   THR  29           HB       THR  29  -3.193  10.993  14.652
  230    HG1  THR  29           1HG      THR  29  -1.339  12.116  13.997
  231   1HG2  THR  29          1HG2      THR  29  -1.280   9.486  12.811
  232   2HG2  THR  29          2HG2      THR  29  -1.135   9.734  14.561
  233   3HG2  THR  29          3HG2      THR  29  -2.425   8.704  13.928
  234    H    TYR  30           H        TYR  30  -4.589  12.951  11.599
  235    HA   TYR  30           HA       TYR  30  -6.848  13.273  13.536
  236   1HB   TYR  30          2HB       TYR  30  -6.122  15.534  13.902
  237   2HB   TYR  30          3HB       TYR  30  -4.811  14.424  14.256
  238    HD1  TYR  30           1HD      TYR  30  -2.790  14.319  12.777
  239    HD2  TYR  30           2HD      TYR  30  -6.021  17.076  11.988
  240    HE1  TYR  30           1HE      TYR  30  -1.349  15.548  11.189
  241    HE2  TYR  30           2HE      TYR  30  -4.610  18.272  10.355
  242    HH   TYR  30           HH       TYR  30  -2.497  18.432   9.370
  243    H    CYS  31           H        CYS  31  -5.852  13.845  10.152
  244    HA   CYS  31           HA       CYS  31  -7.451  15.962   9.580
  245   1HB   CYS  31          2HB       CYS  31  -6.892  13.652   7.697
  246   2HB   CYS  31          3HB       CYS  31  -7.161  15.355   7.273
  247    H    GLY  32           H        GLY  32  -9.523  16.385   9.187
  248   1HA   GLY  32          1HA       GLY  32 -11.635  14.714   9.949
  249   2HA   GLY  32          2HA       GLY  32 -11.780  16.154   8.922
  250    H    TYR  33           H        TYR  33 -10.263  15.282   6.656
  251    HA   TYR  33           HA       TYR  33 -12.164  13.699   5.261
  252   1HB   TYR  33          2HB       TYR  33  -9.253  14.316   4.625
  253   2HB   TYR  33          3HB       TYR  33 -10.389  13.568   3.516
  254    HD1  TYR  33           1HD      TYR  33 -12.681  14.881   3.124
  255    HD2  TYR  33           2HD      TYR  33  -9.008  16.675   4.527
  256    HE1  TYR  33           1HE      TYR  33 -13.461  17.093   2.338
  257    HE2  TYR  33           2HE      TYR  33  -9.791  18.889   3.761
  258    HH   TYR  33           HH       TYR  33 -11.505  20.086   2.727
  259    H    CYS  34           H        CYS  34  -9.179  12.745   7.004
  260    HA   CYS  34           HA       CYS  34  -9.170  10.019   5.989
  261   1HB   CYS  34          2HB       CYS  34  -7.904  11.274   8.472
  262   2HB   CYS  34          3HB       CYS  34  -7.687   9.600   7.960
  263    HG   CYS  34           HG       CYS  34  -7.078  12.326   6.149
  264    H    ASN  35           H        ASN  35 -10.443  11.637   8.965
  265    HA   ASN  35           HA       ASN  35 -11.675   9.298  10.040
  266   1HB   ASN  35          2HB       ASN  35 -11.476  11.310  11.390
  267   2HB   ASN  35          3HB       ASN  35 -12.491  12.220  10.269
  268   1HD2  ASN  35          2HD2      ASN  35 -14.670  12.343  10.814
  269   2HD2  ASN  35          1HD2      ASN  35 -15.489  11.215  11.859
  270    H    ARG  36           H        ARG  36 -12.964  11.682   7.660
  271    HA   ARG  36           HA       ARG  36 -15.548  10.525   7.472
  272   1HB   ARG  36          2HB       ARG  36 -13.894  12.145   5.500
  273   2HB   ARG  36          3HB       ARG  36 -15.518  11.571   5.118
  274   1HG   ARG  36          2HG       ARG  36 -16.503  12.800   6.958
  275   2HG   ARG  36          3HG       ARG  36 -14.923  13.228   7.603
  276   1HD   ARG  36          2HD       ARG  36 -15.819  15.150   6.490
  277   2HD   ARG  36          3HD       ARG  36 -14.438  14.556   5.553
  278    HE   ARG  36           HE       ARG  36 -16.825  13.379   4.541
  279   1HH1  ARG  36          1HH1      ARG  36 -15.286  16.575   4.682
  280   2HH1  ARG  36          2HH1      ARG  36 -16.076  17.174   3.271
  281   1HH2  ARG  36          1HH2      ARG  36 -17.865  14.171   2.648
  282   2HH2  ARG  36          2HH2      ARG  36 -17.545  15.762   2.073
  283    H    VAL  37           H        VAL  37 -12.553   9.686   5.562
  284    HA   VAL  37           HA       VAL  37 -13.965   7.694   4.052
  285    HB   VAL  37           HB       VAL  37 -11.006   8.031   4.674
  286   1HG1  VAL  37          1HG1      VAL  37 -12.346   6.078   2.738
  287   2HG1  VAL  37          2HG1      VAL  37 -10.611   6.463   2.778
  288   3HG1  VAL  37          3HG1      VAL  37 -11.353   5.654   4.150
  289   1HG2  VAL  37          1HG2      VAL  37 -11.980   9.807   3.288
  290   2HG2  VAL  37          2HG2      VAL  37 -11.014   8.742   2.251
  291   3HG2  VAL  37          3HG2      VAL  37 -12.782   8.617   2.256
  292    H    LYS  38           H        LYS  38 -12.082   7.410   7.132
  293    HA   LYS  38           HA       LYS  38 -12.434   4.630   7.516
  294   1HB   LYS  38          2HB       LYS  38 -12.486   6.878   9.576
  295   2HB   LYS  38          3HB       LYS  38 -12.454   5.170   9.984
  296   1HG   LYS  38          2HG       LYS  38 -10.255   4.885   8.966
  297   2HG   LYS  38          3HG       LYS  38 -10.258   6.559   8.388
  298   1HD   LYS  38          2HD       LYS  38 -10.454   7.359  10.752
  299   2HD   LYS  38          3HD       LYS  38 -10.382   5.679  11.310
  300   1HE   LYS  38          2HE       LYS  38  -8.108   5.450  10.366
  301   2HE   LYS  38          3HE       LYS  38  -8.184   7.107   9.744
  302   1HZ   LYS  38          1HZ       LYS  38  -8.348   7.884  12.044
  303   2HZ   LYS  38          2HZ       LYS  38  -8.271   6.352  12.611
  304   3HZ   LYS  38          3HZ       LYS  38  -6.983   7.011  11.855
  305    H    GLN  39           H        GLN  39 -14.687   7.305   8.468
  306    HA   GLN  39           HA       GLN  39 -16.683   5.507   9.433
  307   1HB   GLN  39          2HB       GLN  39 -16.837   8.398   8.484
  308   2HB   GLN  39          3HB       GLN  39 -18.212   7.533   9.162
  309   1HG   GLN  39          2HG       GLN  39 -15.582   8.072  10.597
  310   2HG   GLN  39          3HG       GLN  39 -17.095   8.927  10.860
  311   1HE2  GLN  39          2HE2      GLN  39 -15.507   7.463  12.850
  312   2HE2  GLN  39          1HE2      GLN  39 -16.536   6.196  13.472
  313    H    LEU  40           H        LEU  40 -16.219   6.945   6.154
  314    HA   LEU  40           HA       LEU  40 -18.670   6.145   5.061
  315   1HB   LEU  40          2HB       LEU  40 -16.847   7.629   4.036
  316   2HB   LEU  40          3HB       LEU  40 -15.973   6.155   3.638
  317    HG   LEU  40           HG       LEU  40 -18.045   5.457   2.253
  318   1HD1  LEU  40          1HD1      LEU  40 -19.739   6.937   3.203
  319   2HD1  LEU  40          2HD1      LEU  40 -18.769   8.372   2.803
  320   3HD1  LEU  40          3HD1      LEU  40 -19.471   7.384   1.514
  321   1HD2  LEU  40          1HD2      LEU  40 -15.979   6.306   1.255
  322   2HD2  LEU  40          2HD2      LEU  40 -17.404   6.875   0.380
  323   3HD2  LEU  40          3HD2      LEU  40 -16.539   7.978   1.479
  324    H    LEU  41           H        LEU  41 -15.564   4.369   5.238
  325    HA   LEU  41           HA       LEU  41 -16.538   1.964   3.976
  326   1HB   LEU  41          2HB       LEU  41 -14.162   2.542   5.792
  327   2HB   LEU  41          3HB       LEU  41 -14.427   0.996   4.988
  328    HG   LEU  41           HG       LEU  41 -14.118   3.636   3.491
  329   1HD1  LEU  41          1HD1      LEU  41 -11.833   2.864   2.981
  330   2HD1  LEU  41          2HD1      LEU  41 -12.075   3.103   4.719
  331   3HD1  LEU  41          3HD1      LEU  41 -12.068   1.462   4.052
  332   1HD2  LEU  41          1HD2      LEU  41 -14.124   0.734   2.549
  333   2HD2  LEU  41          2HD2      LEU  41 -15.332   1.982   2.170
  334   3HD2  LEU  41          3HD2      LEU  41 -13.689   2.134   1.541
  335    H    THR  42           H        THR  42 -16.204   2.981   7.400
  336    HA   THR  42           HA       THR  42 -16.924   0.500   8.559
  337    HB   THR  42           HB       THR  42 -17.379   3.334   9.589
  338    HG1  THR  42           1HG      THR  42 -15.257   3.041   9.197
  339   1HG2  THR  42          1HG2      THR  42 -17.251   0.689  11.095
  340   2HG2  THR  42          2HG2      THR  42 -17.243   2.305  11.843
  341   3HG2  THR  42          3HG2      THR  42 -18.665   1.760  10.941
  342    H    GLN  43           H        GLN  43 -19.017   3.247   7.434
  343    HA   GLN  43           HA       GLN  43 -21.384   2.176   8.550
  344   1HB   GLN  43          2HB       GLN  43 -20.575   4.393   6.739
  345   2HB   GLN  43          3HB       GLN  43 -22.177   3.769   6.409
  346   1HG   GLN  43          2HG       GLN  43 -22.111   5.660   8.016
  347   2HG   GLN  43          3HG       GLN  43 -22.981   4.218   8.558
  348   1HE2  GLN  43          2HE2      GLN  43 -19.518   5.341   8.774
  349   2HE2  GLN  43          1HE2      GLN  43 -19.445   5.258  10.519
  350    H    VAL  44           H        VAL  44 -19.941   1.694   5.255
  351    HA   VAL  44           HA       VAL  44 -22.213   0.047   4.459
  352    HB   VAL  44           HB       VAL  44 -20.809  -0.611   2.532
  353   1HG1  VAL  44          1HG1      VAL  44 -20.902   1.537   1.418
  354   2HG1  VAL  44          2HG1      VAL  44 -22.311   1.350   2.470
  355   3HG1  VAL  44          3HG1      VAL  44 -20.962   2.397   2.975
  356   1HG2  VAL  44          1HG2      VAL  44 -18.741   1.312   3.664
  357   2HG2  VAL  44          2HG2      VAL  44 -18.547  -0.443   3.468
  358   3HG2  VAL  44          3HG2      VAL  44 -18.729   0.604   2.051
  359    H    GLY  45           H        GLY  45 -19.535  -0.509   6.547
  360   1HA   GLY  45          1HA       GLY  45 -19.182  -2.373   7.839
  361   2HA   GLY  45          2HA       GLY  45 -20.311  -3.311   6.848
  362    H    ALA  46           H        ALA  46 -17.599  -1.452   5.446
  363    HA   ALA  46           HA       ALA  46 -16.514  -3.893   4.221
  364   1HB   ALA  46          1HB       ALA  46 -16.593  -1.818   2.899
  365   2HB   ALA  46          2HB       ALA  46 -15.639  -0.969   4.133
  366   3HB   ALA  46          3HB       ALA  46 -14.909  -2.290   3.204
  367    H    SER  47           H        SER  47 -14.759  -4.976   4.992
  368    HA   SER  47           HA       SER  47 -13.364  -4.109   7.428
  369   1HB   SER  47          2HB       SER  47 -12.778  -6.348   5.429
  370   2HB   SER  47          3HB       SER  47 -12.022  -6.141   7.020
  371    HG   SER  47           HG       SER  47 -13.756  -7.651   7.054
  372    H    TYR  48           H        TYR  48 -11.325  -3.023   7.399
  373    HA   TYR  48           HA       TYR  48  -9.900  -2.708   4.859
  374   1HB   TYR  48          2HB       TYR  48  -9.840  -0.256   5.007
  375   2HB   TYR  48          3HB       TYR  48 -11.463  -0.850   4.735
  376    HD1  TYR  48           1HD      TYR  48  -9.236   0.851   7.219
  377    HD2  TYR  48           2HD      TYR  48 -13.221  -0.566   6.354
  378    HE1  TYR  48           1HE      TYR  48 -10.131   2.194   9.091
  379    HE2  TYR  48           2HE      TYR  48 -14.118   0.761   8.233
  380    HH   TYR  48           HH       TYR  48 -13.616   2.204   9.972
  381    H    LYS  49           H        LYS  49  -7.821  -1.796   5.119
  382    HA   LYS  49           HA       LYS  49  -6.685  -1.861   7.887
  383   1HB   LYS  49          2HB       LYS  49  -5.688  -3.473   6.280
  384   2HB   LYS  49          3HB       LYS  49  -5.357  -2.153   5.147
  385   1HG   LYS  49          2HG       LYS  49  -3.787  -1.141   6.781
  386   2HG   LYS  49          3HG       LYS  49  -4.174  -2.429   7.944
  387   1HD   LYS  49          2HD       LYS  49  -3.294  -4.115   6.304
  388   2HD   LYS  49          3HD       LYS  49  -2.928  -2.798   5.183
  389   1HE   LYS  49          2HE       LYS  49  -0.880  -3.395   6.263
  390   2HE   LYS  49          3HE       LYS  49  -1.367  -1.809   6.866
  391   1HZ   LYS  49          1HZ       LYS  49  -1.749  -4.378   8.311
  392   2HZ   LYS  49          2HZ       LYS  49  -0.606  -3.271   8.645
  393   3HZ   LYS  49          3HZ       LYS  49  -2.172  -2.908   8.889
  394    H    VAL  50           H        VAL  50  -5.420   0.058   8.439
  395    HA   VAL  50           HA       VAL  50  -5.370   2.210   6.480
  396    HB   VAL  50           HB       VAL  50  -7.437   2.735   7.388
  397   1HG1  VAL  50          1HG1      VAL  50  -7.918   2.995   9.830
  398   2HG1  VAL  50          2HG1      VAL  50  -7.668   1.335   9.292
  399   3HG1  VAL  50          3HG1      VAL  50  -6.370   2.191  10.173
  400   1HG2  VAL  50          1HG2      VAL  50  -5.548   4.463   9.025
  401   2HG2  VAL  50          2HG2      VAL  50  -5.841   4.654   7.283
  402   3HG2  VAL  50          3HG2      VAL  50  -7.169   4.875   8.422
  403    H    VAL  51           H        VAL  51  -3.698   3.639   6.828
  404    HA   VAL  51           HA       VAL  51  -1.703   2.890   8.904
  405    HB   VAL  51           HB       VAL  51  -1.054   3.538   5.994
  406   1HG1  VAL  51          1HG1      VAL  51   0.731   3.887   7.711
  407   2HG1  VAL  51          2HG1      VAL  51   0.582   2.185   8.193
  408   3HG1  VAL  51          3HG1      VAL  51   1.142   2.608   6.561
  409   1HG2  VAL  51          1HG2      VAL  51  -2.278   1.423   5.876
  410   2HG2  VAL  51          2HG2      VAL  51  -0.561   1.127   5.644
  411   3HG2  VAL  51          3HG2      VAL  51  -1.312   0.755   7.215
  412    H    GLU  52           H        GLU  52  -0.802   4.740   9.845
  413    HA   GLU  52           HA       GLU  52  -2.000   7.307   8.929
  414   1HB   GLU  52          2HB       GLU  52  -1.396   6.362  11.744
  415   2HB   GLU  52          3HB       GLU  52  -2.022   7.958  11.272
  416   1HG   GLU  52          2HG       GLU  52  -3.975   6.848  10.175
  417   2HG   GLU  52          3HG       GLU  52  -3.414   5.286  10.770
  418    H    LEU  53           H        LEU  53  -0.468   8.075   7.672
  419    HA   LEU  53           HA       LEU  53   2.312   7.597   8.009
  420   1HB   LEU  53          2HB       LEU  53   0.892   9.599   6.207
  421   2HB   LEU  53          3HB       LEU  53   2.541   9.015   6.019
  422    HG   LEU  53           HG       LEU  53  -0.028   7.421   5.653
  423   1HD1  LEU  53          1HD1      LEU  53   0.830   7.136   3.359
  424   2HD1  LEU  53          2HD1      LEU  53   0.647   8.850   3.768
  425   3HD1  LEU  53          3HD1      LEU  53   2.260   8.094   3.772
  426   1HD2  LEU  53          1HD2      LEU  53   1.447   5.493   5.028
  427   2HD2  LEU  53          2HD2      LEU  53   2.836   6.396   5.672
  428   3HD2  LEU  53          3HD2      LEU  53   1.514   5.894   6.741
  429    H    ASP  54           H        ASP  54   0.539   9.745   9.823
  430    HA   ASP  54           HA       ASP  54   2.663  11.790  10.065
  431   1HB   ASP  54          2HB       ASP  54   0.280  12.415  10.393
  432   2HB   ASP  54          3HB       ASP  54   0.160  11.255  11.717
  433    H    GLU  55           H        GLU  55   1.840   8.642  11.343
  434    HA   GLU  55           HA       GLU  55   3.648   9.004  13.688
  435   1HB   GLU  55          2HB       GLU  55   1.159   8.863  14.100
  436   2HB   GLU  55          3HB       GLU  55   1.178   7.249  13.397
  437   1HG   GLU  55          2HG       GLU  55   1.170   7.047  15.782
  438   2HG   GLU  55          3HG       GLU  55   2.737   6.507  15.215
  439    H    LEU  56           H        LEU  56   2.820   6.993  10.883
  440    HA   LEU  56           HA       LEU  56   4.340   4.695  11.466
  441   1HB   LEU  56          2HB       LEU  56   2.853   4.981   9.471
  442   2HB   LEU  56          3HB       LEU  56   4.006   6.140   8.804
  443    HG   LEU  56           HG       LEU  56   5.751   4.315   8.754
  444   1HD1  LEU  56          1HD1      LEU  56   4.983   1.959   8.901
  445   2HD1  LEU  56          2HD1      LEU  56   4.840   2.771  10.458
  446   3HD1  LEU  56          3HD1      LEU  56   3.392   2.511   9.461
  447   1HD2  LEU  56          1HD2      LEU  56   4.822   3.168   6.795
  448   2HD2  LEU  56          2HD2      LEU  56   3.202   3.776   7.198
  449   3HD2  LEU  56          3HD2      LEU  56   4.500   4.905   6.757
  450    H    SER  57           H        SER  57   6.520   4.231  11.433
  451    HA   SER  57           HA       SER  57   8.300   6.122  12.178
  452   1HB   SER  57          2HB       SER  57   9.061   3.504  10.845
  453   2HB   SER  57          3HB       SER  57   9.897   4.343  12.164
  454    HG   SER  57           HG       SER  57   8.630   2.591  12.923
  455    H    ASP  58           H        ASP  58   7.566   5.388   8.813
  456    HA   ASP  58           HA       ASP  58   9.677   7.305   7.962
  457   1HB   ASP  58          2HB       ASP  58  10.401   4.911   7.633
  458   2HB   ASP  58          3HB       ASP  58   9.013   4.685   6.564
  459    H    GLY  59           H        GLY  59   6.792   7.505   8.551
  460   1HA   GLY  59          1HA       GLY  59   5.026   7.137   6.488
  461   2HA   GLY  59          2HA       GLY  59   4.882   8.360   7.747
  462    H    SER  60           H        SER  60   6.988  10.171   6.981
  463    HA   SER  60           HA       SER  60   5.791  11.636   4.929
  464   1HB   SER  60          2HB       SER  60   8.734  11.745   5.682
  465   2HB   SER  60          3HB       SER  60   7.719  13.061   5.062
  466    HG   SER  60           HG       SER  60   8.010  13.172   7.340
  467    H    GLN  61           H        GLN  61   8.521   9.293   4.670
  468    HA   GLN  61           HA       GLN  61   8.859   9.864   1.813
  469   1HB   GLN  61          2HB       GLN  61  10.008   7.613   3.498
  470   2HB   GLN  61          3HB       GLN  61  10.439   8.000   1.827
  471   1HG   GLN  61          2HG       GLN  61  11.060  10.350   2.676
  472   2HG   GLN  61          3HG       GLN  61  10.946   9.689   4.309
  473   1HE2  GLN  61          2HE2      GLN  61  12.355   7.649   4.718
  474   2HE2  GLN  61          1HE2      GLN  61  13.969   7.677   3.972
  475    H    LEU  62           H        LEU  62   7.116   7.521   3.846
  476    HA   LEU  62           HA       LEU  62   6.209   5.792   1.785
  477   1HB   LEU  62          2HB       LEU  62   6.003   5.804   4.465
  478   2HB   LEU  62          3HB       LEU  62   4.459   6.550   4.115
  479    HG   LEU  62           HG       LEU  62   4.237   4.190   4.510
  480   1HD1  LEU  62          1HD1      LEU  62   2.718   5.200   2.816
  481   2HD1  LEU  62          2HD1      LEU  62   3.823   4.639   1.538
  482   3HD1  LEU  62          3HD1      LEU  62   2.989   3.466   2.569
  483   1HD2  LEU  62          1HD2      LEU  62   6.057   3.651   2.138
  484   2HD2  LEU  62          2HD2      LEU  62   6.500   3.462   3.849
  485   3HD2  LEU  62          3HD2      LEU  62   5.225   2.455   3.143
  486    H    GLN  63           H        GLN  63   4.756   8.840   3.081
  487    HA   GLN  63           HA       GLN  63   2.597   8.936   1.248
  488   1HB   GLN  63          2HB       GLN  63   2.925  10.352   3.367
  489   2HB   GLN  63          3HB       GLN  63   4.041  11.349   2.427
  490   1HG   GLN  63          2HG       GLN  63   2.139  11.664   0.734
  491   2HG   GLN  63          3HG       GLN  63   1.073  10.861   1.883
  492   1HE2  GLN  63          2HE2      GLN  63   0.668  13.485   0.878
  493   2HE2  GLN  63          1HE2      GLN  63   0.865  14.628   2.193
  494    H    SER  64           H        SER  64   5.956  10.211   1.028
  495    HA   SER  64           HA       SER  64   5.650  11.517  -1.475
  496   1HB   SER  64          2HB       SER  64   8.144  10.167  -0.361
  497   2HB   SER  64          3HB       SER  64   8.081  11.409  -1.616
  498    HG   SER  64           HG       SER  64   7.291  11.690   1.122
  499    H    ALA  65           H        ALA  65   6.423   8.070  -0.724
  500    HA   ALA  65           HA       ALA  65   6.768   7.283  -3.451
  501   1HB   ALA  65          1HB       ALA  65   6.436   5.021  -2.634
  502   2HB   ALA  65          2HB       ALA  65   7.530   5.906  -1.561
  503   3HB   ALA  65          3HB       ALA  65   5.836   5.618  -1.075
  504    H    LEU  66           H        LEU  66   3.842   7.316  -1.308
  505    HA   LEU  66           HA       LEU  66   2.046   6.320  -3.279
  506   1HB   LEU  66          2HB       LEU  66   1.704   8.028  -0.808
  507   2HB   LEU  66          3HB       LEU  66   0.408   8.031  -1.975
  508    HG   LEU  66           HG       LEU  66  -0.110   6.473  -0.264
  509   1HD1  LEU  66          1HD1      LEU  66  -0.610   4.486  -1.516
  510   2HD1  LEU  66          2HD1      LEU  66  -0.798   5.883  -2.590
  511   3HD1  LEU  66          3HD1      LEU  66   0.625   4.838  -2.721
  512   1HD2  LEU  66          1HD2      LEU  66   1.214   4.447   0.176
  513   2HD2  LEU  66          2HD2      LEU  66   2.480   5.028  -0.930
  514   3HD2  LEU  66          3HD2      LEU  66   2.094   5.934   0.548
  515    H    ALA  67           H        ALA  67   3.099   9.708  -2.655
  516    HA   ALA  67           HA       ALA  67   1.454  10.872  -4.618
  517   1HB   ALA  67          1HB       ALA  67   2.830  12.095  -2.848
  518   2HB   ALA  67          2HB       ALA  67   4.268  11.791  -3.833
  519   3HB   ALA  67          3HB       ALA  67   2.958  12.792  -4.480
  520    H    HIS  68           H        HIS  68   4.802   9.658  -4.930
  521    HA   HIS  68           HA       HIS  68   5.128  10.140  -7.702
  522   1HB   HIS  68          2HB       HIS  68   7.087   9.641  -6.596
  523   2HB   HIS  68          3HB       HIS  68   6.351   8.415  -5.579
  524    HD1  HIS  68           1HD      HIS  68   7.916   8.684  -9.089
  525    HD2  HIS  68           2HD      HIS  68   6.287   5.938  -6.340
  526    HE1  HIS  68           1HE      HIS  68   8.468   6.367  -9.990
  527    H    TRP  69           H        TRP  69   3.702   7.329  -5.984
  528    HA   TRP  69           HA       TRP  69   3.522   5.717  -8.339
  529   1HB   TRP  69          2HB       TRP  69   3.869   4.946  -6.019
  530   2HB   TRP  69          3HB       TRP  69   2.251   5.466  -5.587
  531    HD1  TRP  69           HD1      TRP  69   2.584   3.534  -8.860
  532    HE1  TRP  69           HE1      TRP  69   1.634   1.211  -8.588
  533    HE3  TRP  69           HE3      TRP  69   2.076   3.476  -3.769
  534    HZ2  TRP  69           HZ2      TRP  69   0.561  -0.443  -6.441
  535    HZ3  TRP  69           HZ3      TRP  69   1.057   1.510  -2.635
  536    HH2  TRP  69           HH2      TRP  69   0.284  -0.437  -3.966
  537    H    THR  70           H        THR  70   1.133   7.748  -6.598
  538    HA   THR  70           HA       THR  70  -0.989   6.777  -8.462
  539    HB   THR  70           HB       THR  70  -2.551   7.300  -6.704
  540    HG1  THR  70           1HG      THR  70  -0.294   8.126  -5.160
  541   1HG2  THR  70          1HG2      THR  70  -1.323   5.083  -6.597
  542   2HG2  THR  70          2HG2      THR  70  -0.252   5.801  -5.380
  543   3HG2  THR  70          3HG2      THR  70  -1.992   5.659  -5.058
  544    H    GLY  71           H        GLY  71   0.778   9.676  -7.595
  545   1HA   GLY  71          1HA       GLY  71   0.592  11.823  -8.322
  546   2HA   GLY  71          2HA       GLY  71  -0.720  11.351  -9.411
  547    H    ARG  72           H        ARG  72  -1.582  10.255  -6.303
  548    HA   ARG  72           HA       ARG  72  -3.639  12.283  -6.072
  549   1HB   ARG  72          2HB       ARG  72  -3.941   9.884  -5.478
  550   2HB   ARG  72          3HB       ARG  72  -2.753  10.054  -4.196
  551   1HG   ARG  72          2HG       ARG  72  -5.063   9.982  -3.378
  552   2HG   ARG  72          3HG       ARG  72  -4.237  11.454  -2.889
  553   1HD   ARG  72          2HD       ARG  72  -5.975  11.413  -5.380
  554   2HD   ARG  72          3HD       ARG  72  -6.709  11.532  -3.775
  555    HE   ARG  72           HE       ARG  72  -5.028  13.480  -3.445
  556   1HH1  ARG  72          1HH2      ARG  72  -6.880  12.898  -6.431
  557   2HH1  ARG  72          2HH2      ARG  72  -6.836  14.551  -6.916
  558   1HH2  ARG  72          1HH1      ARG  72  -4.955  15.573  -4.062
  559   2HH2  ARG  72          2HH1      ARG  72  -5.725  16.148  -5.509
  560    H    GLY  73           H        GLY  73  -0.833  11.356  -4.030
  561   1HA   GLY  73          1HA       GLY  73   0.712  12.633  -2.946
  562   2HA   GLY  73          2HA       GLY  73  -0.007  14.085  -3.654
  563    H    THR  74           H        THR  74  -2.540  14.191  -2.602
  564    HA   THR  74           HA       THR  74  -2.137  14.887   0.167
  565    HB   THR  74           HB       THR  74  -4.655  15.312  -0.025
  566    HG1  THR  74           1HG      THR  74  -5.634  14.949  -1.838
  567   1HG2  THR  74          1HG2      THR  74  -4.374  17.295  -1.440
  568   2HG2  THR  74          2HG2      THR  74  -2.970  17.088  -0.381
  569   3HG2  THR  74          3HG2      THR  74  -2.855  16.646  -2.100
  570    H    VAL  75           H        VAL  75  -3.897  14.113   1.779
  571    HA   VAL  75           HA       VAL  75  -4.329  11.196   1.570
  572    HB   VAL  75           HB       VAL  75  -4.048  11.106   4.067
  573   1HG1  VAL  75          1HG1      VAL  75  -1.545  11.828   2.491
  574   2HG1  VAL  75          2HG1      VAL  75  -1.621  10.884   3.996
  575   3HG1  VAL  75          3HG1      VAL  75  -2.340  10.239   2.513
  576   1HG2  VAL  75          1HG2      VAL  75  -2.755  12.766   5.233
  577   2HG2  VAL  75          2HG2      VAL  75  -2.578  13.759   3.776
  578   3HG2  VAL  75          3HG2      VAL  75  -4.169  13.555   4.546
  579    HA   PRO  76           HA       PRO  76  -5.542   9.760   3.121
  580   1HB   PRO  76          2HB       PRO  76  -7.858   8.378   2.755
  581   2HB   PRO  76          3HB       PRO  76  -7.470   9.217   4.287
  582   1HG   PRO  76          2HG       PRO  76  -9.165  10.215   1.981
  583   2HG   PRO  76          3HG       PRO  76  -9.560  10.228   3.731
  584   1HD   PRO  76          2HD       PRO  76  -8.542  12.414   2.415
  585   2HD   PRO  76          3HD       PRO  76  -8.133  12.065   4.120
  586    H    ASN  77           H        ASN  77  -5.332   7.980   1.633
  587    HA   ASN  77           HA       ASN  77  -6.157   8.414  -1.204
  588   1HB   ASN  77          2HB       ASN  77  -3.749   9.020  -0.852
  589   2HB   ASN  77          3HB       ASN  77  -3.448   7.400  -0.223
  590   1HD2  ASN  77          2HD2      ASN  77  -2.002   8.371  -2.361
  591   2HD2  ASN  77          1HD2      ASN  77  -2.469   7.604  -3.851
  592    H    VAL  78           H        VAL  78  -7.449   6.713  -1.703
  593    HA   VAL  78           HA       VAL  78  -7.494   4.446   0.218
  594    HB   VAL  78           HB       VAL  78  -9.785   5.173  -1.612
  595   1HG1  VAL  78          1HG1      VAL  78  -9.904   3.092  -0.269
  596   2HG1  VAL  78          2HG1      VAL  78  -9.618   4.029   1.213
  597   3HG1  VAL  78          3HG1      VAL  78 -11.105   4.261   0.291
  598   1HG2  VAL  78          1HG2      VAL  78  -9.401   7.340  -0.641
  599   2HG2  VAL  78          2HG2      VAL  78 -10.734   6.609   0.240
  600   3HG2  VAL  78          3HG2      VAL  78  -9.117   6.650   0.968
  601    H    PHE  79           H        PHE  79  -7.466   2.365  -0.478
  602    HA   PHE  79           HA       PHE  79  -7.213   1.776  -3.381
  603   1HB   PHE  79          2HB       PHE  79  -5.615   0.766  -0.990
  604   2HB   PHE  79          3HB       PHE  79  -5.740  -0.150  -2.472
  605    HD1  PHE  79           1HD      PHE  79  -3.920  -0.056  -3.879
  606    HD2  PHE  79           2HD      PHE  79  -4.844   3.412  -1.477
  607    HE1  PHE  79           1HE      PHE  79  -1.919   1.100  -4.760
  608    HE2  PHE  79           2HE      PHE  79  -2.874   4.570  -2.401
  609    HZ   PHE  79           HZ       PHE  79  -1.375   3.404  -4.013
  610    H    ILE  80           H        ILE  80  -8.302  -0.088  -4.007
  611    HA   ILE  80           HA       ILE  80  -9.539  -1.816  -1.973
  612    HB   ILE  80           HB       ILE  80 -11.127  -0.511  -4.230
  613   1HG1  ILE  80          2HG1      ILE  80 -11.547  -0.335  -1.219
  614   2HG1  ILE  80          3HG1      ILE  80 -10.847   0.942  -2.205
  615   1HG2  ILE  80          1HG2      ILE  80 -11.772  -2.825  -4.064
  616   2HG2  ILE  80          2HG2      ILE  80 -11.873  -2.741  -2.290
  617   3HG2  ILE  80          3HG2      ILE  80 -13.042  -1.890  -3.311
  618   1HD1  ILE  80          1HD1      ILE  80 -12.968   1.129  -3.484
  619   2HD1  ILE  80          2HD1      ILE  80 -13.711  -0.043  -2.375
  620   3HD1  ILE  80          3HD1      ILE  80 -13.112   1.496  -1.753
  621    H    GLY  81           H        GLY  81  -9.521  -3.947  -2.711
  622   1HA   GLY  81          1HA       GLY  81  -8.831  -5.744  -3.939
  623   2HA   GLY  81          2HA       GLY  81  -9.294  -4.834  -5.389
  624    H    GLY  82           H        GLY  82  -6.794  -3.693  -3.126
  625   1HA   GLY  82          1HA       GLY  82  -4.550  -3.394  -3.330
  626   2HA   GLY  82          2HA       GLY  82  -4.509  -4.711  -4.508
  627    H    LYS  83           H        LYS  83  -6.607  -1.931  -5.238
  628    HA   LYS  83           HA       LYS  83  -4.515  -0.778  -7.032
  629   1HB   LYS  83          2HB       LYS  83  -6.125  -2.262  -8.251
  630   2HB   LYS  83          3HB       LYS  83  -7.463  -1.263  -7.662
  631   1HG   LYS  83          2HG       LYS  83  -6.534   0.695  -8.871
  632   2HG   LYS  83          3HG       LYS  83  -5.160  -0.287  -9.416
  633   1HD   LYS  83          2HD       LYS  83  -6.715  -1.777 -10.644
  634   2HD   LYS  83          3HD       LYS  83  -8.095  -0.810 -10.075
  635   1HE   LYS  83          2HE       LYS  83  -7.157   1.192 -11.210
  636   2HE   LYS  83          3HE       LYS  83  -5.784   0.233 -11.777
  637   1HZ   LYS  83          1HZ       LYS  83  -7.478   0.440 -13.479
  638   2HZ   LYS  83          2HZ       LYS  83  -7.341  -1.124 -13.051
  639   3HZ   LYS  83          3HZ       LYS  83  -8.613  -0.237 -12.528
  640    H    GLN  84           H        GLN  84  -4.492   1.477  -7.056
  641    HA   GLN  84           HA       GLN  84  -5.758   2.845  -4.879
  642   1HB   GLN  84          2HB       GLN  84  -4.605   4.761  -5.593
  643   2HB   GLN  84          3HB       GLN  84  -3.556   3.417  -5.957
  644   1HG   GLN  84          2HG       GLN  84  -3.271   4.595  -7.863
  645   2HG   GLN  84          3HG       GLN  84  -4.583   3.564  -8.393
  646   1HE2  GLN  84          2HE2      GLN  84  -4.176   5.824  -9.848
  647   2HE2  GLN  84          1HE2      GLN  84  -5.348   7.061  -9.474
  648    H    ILE  85           H        ILE  85  -7.593   4.128  -4.850
  649    HA   ILE  85           HA       ILE  85  -9.361   3.952  -7.256
  650    HB   ILE  85           HB       ILE  85 -10.097   4.290  -4.324
  651   1HG1  ILE  85          2HG1      ILE  85  -9.265   2.054  -4.575
  652   2HG1  ILE  85          3HG1      ILE  85 -11.007   2.005  -4.445
  653   1HG2  ILE  85          1HG2      ILE  85 -12.418   3.813  -5.102
  654   2HG2  ILE  85          2HG2      ILE  85 -11.774   5.325  -5.747
  655   3HG2  ILE  85          3HG2      ILE  85 -11.850   3.890  -6.785
  656   1HD1  ILE  85          1HD1      ILE  85 -11.172   1.660  -6.925
  657   2HD1  ILE  85          2HD1      ILE  85  -9.398   1.640  -7.011
  658   3HD1  ILE  85          3HD1      ILE  85 -10.249   0.390  -6.105
  659    H    GLY  86           H        GLY  86  -8.301   6.141  -4.550
  660   1HA   GLY  86          1HA       GLY  86  -7.790   8.406  -5.938
  661   2HA   GLY  86          2HA       GLY  86  -9.553   8.438  -5.827
  662    H    GLY  87           H        GLY  87  -9.496  10.274  -4.502
  663   1HA   GLY  87          1HA       GLY  87  -8.233  10.060  -1.809
  664   2HA   GLY  87          2HA       GLY  87  -8.807  11.538  -2.588
  665    H    CYS  88           H        CYS  88  -9.774  11.618  -0.335
  666    HA   CYS  88           HA       CYS  88 -11.981  10.122   0.537
  667   1HB   CYS  88          2HB       CYS  88 -12.632  12.391   1.607
  668   2HB   CYS  88          3HB       CYS  88 -11.071  11.701   2.054
  669    HG   CYS  88           HG       CYS  88 -10.930  14.361   1.781
  670    H    ASP  89           H        ASP  89 -11.969  13.048  -1.539
  671    HA   ASP  89           HA       ASP  89 -14.756  13.188  -1.901
  672   1HB   ASP  89          2HB       ASP  89 -13.244  15.019  -2.492
  673   2HB   ASP  89          3HB       ASP  89 -12.495  14.038  -3.756
  674    H    THR  90           H        THR  90 -12.322  11.279  -3.749
  675    HA   THR  90           HA       THR  90 -14.071  10.459  -5.814
  676    HB   THR  90           HB       THR  90 -11.818   8.778  -4.660
  677    HG1  THR  90           1HG      THR  90 -11.581  11.065  -6.322
  678   1HG2  THR  90          1HG2      THR  90 -12.940   9.167  -7.464
  679   2HG2  THR  90          2HG2      THR  90 -11.454   8.269  -7.099
  680   3HG2  THR  90          3HG2      THR  90 -13.003   7.699  -6.464
  681    H    VAL  91           H        VAL  91 -13.241   8.822  -2.644
  682    HA   VAL  91           HA       VAL  91 -15.058   6.681  -3.301
  683    HB   VAL  91           HB       VAL  91 -14.750   5.918  -0.978
  684   1HG1  VAL  91          1HG1      VAL  91 -12.145   6.597  -2.427
  685   2HG1  VAL  91          2HG1      VAL  91 -12.438   5.254  -1.302
  686   3HG1  VAL  91          3HG1      VAL  91 -13.245   5.273  -2.870
  687   1HG2  VAL  91          1HG2      VAL  91 -12.777   8.215  -0.653
  688   2HG2  VAL  91          2HG2      VAL  91 -14.359   8.128   0.148
  689   3HG2  VAL  91          3HG2      VAL  91 -13.126   6.911   0.496
  690    H    VAL  92           H        VAL  92 -15.531   9.756  -1.483
  691    HA   VAL  92           HA       VAL  92 -18.140   9.024  -0.531
  692    HB   VAL  92           HB       VAL  92 -16.810  11.704  -1.107
  693   1HG1  VAL  92          1HG1      VAL  92 -19.229  12.089  -1.267
  694   2HG1  VAL  92          2HG1      VAL  92 -19.500  11.202   0.248
  695   3HG1  VAL  92          3HG1      VAL  92 -18.619  12.747   0.251
  696   1HG2  VAL  92          1HG2      VAL  92 -17.506  10.323   1.531
  697   2HG2  VAL  92          2HG2      VAL  92 -15.893  10.328   0.802
  698   3HG2  VAL  92          3HG2      VAL  92 -16.617  11.848   1.329
  699    H    GLU  93           H        GLU  93 -17.026  10.644  -3.598
  700    HA   GLU  93           HA       GLU  93 -19.635  11.023  -4.642
  701   1HB   GLU  93          2HB       GLU  93 -17.570  12.150  -5.425
  702   2HB   GLU  93          3HB       GLU  93 -16.982  10.621  -6.100
  703   1HG   GLU  93          2HG       GLU  93 -18.946  10.551  -7.614
  704   2HG   GLU  93          3HG       GLU  93 -19.542  12.062  -6.924
  705    H    LYS  94           H        LYS  94 -17.308   8.291  -5.060
  706    HA   LYS  94           HA       LYS  94 -19.070   6.771  -6.767
  707   1HB   LYS  94          2HB       LYS  94 -16.686   5.967  -5.046
  708   2HB   LYS  94          3HB       LYS  94 -17.543   4.861  -6.131
  709   1HG   LYS  94          2HG       LYS  94 -17.081   6.411  -8.050
  710   2HG   LYS  94          3HG       LYS  94 -16.188   7.466  -6.980
  711   1HD   LYS  94          2HD       LYS  94 -14.547   6.186  -8.103
  712   2HD   LYS  94          3HD       LYS  94 -14.627   5.549  -6.464
  713   1HE   LYS  94          2HE       LYS  94 -14.469   3.689  -7.953
  714   2HE   LYS  94          3HE       LYS  94 -16.109   3.688  -7.298
  715   1HZ   LYS  94          1HZ       LYS  94 -15.326   4.701  -9.982
  716   2HZ   LYS  94          2HZ       LYS  94 -16.079   3.289  -9.695
  717   3HZ   LYS  94          3HZ       LYS  94 -16.867   4.696  -9.419
  718    H    HIS  95           H        HIS  95 -18.839   6.980  -3.175
  719    HA   HIS  95           HA       HIS  95 -20.673   4.797  -2.764
  720   1HB   HIS  95          2HB       HIS  95 -19.248   5.658  -0.962
  721   2HB   HIS  95          3HB       HIS  95 -20.054   7.223  -1.034
  722    HD1  HIS  95           1HD      HIS  95 -21.300   3.542  -0.476
  723    HD2  HIS  95           2HD      HIS  95 -21.827   7.515   0.812
  724    HE1  HIS  95           1HE      HIS  95 -23.089   3.480   1.330
  725    H    GLN  96           H        GLN  96 -21.130   8.358  -3.185
  726    HA   GLN  96           HA       GLN  96 -23.950   8.331  -2.878
  727   1HB   GLN  96          2HB       GLN  96 -22.072  10.191  -4.378
  728   2HB   GLN  96          3HB       GLN  96 -23.805  10.496  -4.231
  729   1HG   GLN  96          2HG       GLN  96 -23.692  10.596  -1.827
  730   2HG   GLN  96          3HG       GLN  96 -22.008  10.103  -1.795
  731   1HE2  GLN  96          2HE2      GLN  96 -23.281  12.592  -0.724
  732   2HE2  GLN  96          1HE2      GLN  96 -22.430  13.910  -1.488
  733    H    ARG  97           H        ARG  97 -21.939   7.852  -5.850
  734    HA   ARG  97           HA       ARG  97 -24.302   7.407  -7.508
  735   1HB   ARG  97          2HB       ARG  97 -21.347   6.850  -8.034
  736   2HB   ARG  97          3HB       ARG  97 -22.649   6.630  -9.208
  737   1HG   ARG  97          2HG       ARG  97 -23.251   9.122  -8.720
  738   2HG   ARG  97          3HG       ARG  97 -21.618   9.226  -8.054
  739   1HD   ARG  97          2HD       ARG  97 -22.408   8.373 -10.878
  740   2HD   ARG  97          3HD       ARG  97 -21.685   9.914 -10.432
  741    HE   ARG  97           HE       ARG  97 -20.392   7.239 -10.563
  742   1HH1  ARG  97          1HH2      ARG  97 -19.941  10.732 -10.319
  743   2HH1  ARG  97          2HH2      ARG  97 -18.234  10.642 -10.012
  744   1HH2  ARG  97          1HH1      ARG  97 -18.180   7.068 -10.219
  745   2HH2  ARG  97          2HH1      ARG  97 -17.180   8.501 -10.189
  746    H    ASN  98           H        ASN  98 -23.200   5.522  -5.055
  747    HA   ASN  98           HA       ASN  98 -23.188   3.389  -4.480
  748   1HB   ASN  98          2HB       ASN  98 -25.638   3.772  -4.915
  749   2HB   ASN  98          3HB       ASN  98 -25.433   2.987  -6.484
  750   1HD2  ASN  98          2HD2      ASN  98 -24.717   2.409  -2.959
  751   2HD2  ASN  98          1HD2      ASN  98 -25.139   0.720  -3.009
  752    H    GLU  99           H        GLU  99 -21.260   4.086  -6.380
  753    HA   GLU  99           HA       GLU  99 -20.807   1.656  -8.033
  754   1HB   GLU  99          2HB       GLU  99 -19.297   4.270  -7.644
  755   2HB   GLU  99          3HB       GLU  99 -18.692   2.918  -8.614
  756   1HG   GLU  99          2HG       GLU  99 -20.587   3.081 -10.133
  757   2HG   GLU  99          3HG       GLU  99 -21.321   4.349  -9.142
  758    H    LEU 100           H        LEU 100 -19.831   3.250  -4.999
  759    HA   LEU 100           HA       LEU 100 -17.359   1.798  -4.728
  760   1HB   LEU 100          2HB       LEU 100 -18.006   4.014  -3.594
  761   2HB   LEU 100          3HB       LEU 100 -18.995   3.057  -2.488
  762    HG   LEU 100           HG       LEU 100 -16.818   1.757  -1.936
  763   1HD1  LEU 100          1HD1      LEU 100 -14.719   3.071  -2.337
  764   2HD1  LEU 100          2HD1      LEU 100 -15.427   2.458  -3.834
  765   3HD1  LEU 100          3HD1      LEU 100 -15.627   4.168  -3.391
  766   1HD2  LEU 100          1HD2      LEU 100 -16.982   4.716  -1.240
  767   2HD2  LEU 100          2HD2      LEU 100 -17.826   3.397  -0.401
  768   3HD2  LEU 100          3HD2      LEU 100 -16.061   3.482  -0.352
  769    H    LEU 101           H        LEU 101 -20.677   1.294  -3.506
  770    HA   LEU 101           HA       LEU 101 -20.089  -0.833  -1.769
  771   1HB   LEU 101          2HB       LEU 101 -22.132   0.525  -1.746
  772   2HB   LEU 101          3HB       LEU 101 -22.686  -0.203  -3.236
  773    HG   LEU 101           HG       LEU 101 -23.752  -1.003  -1.133
  774   1HD1  LEU 101          1HD1      LEU 101 -23.776  -2.373  -3.221
  775   2HD1  LEU 101          2HD1      LEU 101 -22.402  -3.300  -2.583
  776   3HD1  LEU 101          3HD1      LEU 101 -23.944  -3.303  -1.724
  777   1HD2  LEU 101          1HD2      LEU 101 -22.636  -2.505   0.388
  778   2HD2  LEU 101          2HD2      LEU 101 -21.141  -2.461  -0.565
  779   3HD2  LEU 101          3HD2      LEU 101 -21.705  -0.999   0.281
  780    HA   PRO 102           HA       PRO 102 -20.979  -4.010  -5.183
  781   1HB   PRO 102          2HB       PRO 102 -20.684  -3.308  -7.861
  782   2HB   PRO 102          3HB       PRO 102 -22.239  -3.382  -6.979
  783   1HG   PRO 102          2HG       PRO 102 -20.528  -0.966  -7.518
  784   2HG   PRO 102          3HG       PRO 102 -22.303  -1.135  -7.675
  785   1HD   PRO 102          2HD       PRO 102 -21.227   0.013  -5.484
  786   2HD   PRO 102          3HD       PRO 102 -22.619  -1.090  -5.332
  787    H    LEU 103           H        LEU 103 -18.547  -1.445  -5.887
  788    HA   LEU 103           HA       LEU 103 -16.507  -3.228  -6.797
  789   1HB   LEU 103          2HB       LEU 103 -16.405  -0.807  -7.139
  790   2HB   LEU 103          3HB       LEU 103 -16.363  -0.529  -5.400
  791    HG   LEU 103           HG       LEU 103 -14.166  -1.650  -5.245
  792   1HD1  LEU 103          1HD1      LEU 103 -12.870  -2.116  -7.318
  793   2HD1  LEU 103          2HD1      LEU 103 -14.249  -3.200  -7.145
  794   3HD1  LEU 103          3HD1      LEU 103 -14.336  -1.838  -8.285
  795   1HD2  LEU 103          1HD2      LEU 103 -12.871   0.120  -6.297
  796   2HD2  LEU 103          2HD2      LEU 103 -14.252   0.565  -7.327
  797   3HD2  LEU 103          3HD2      LEU 103 -14.334   0.790  -5.565
  798    H    LEU 104           H        LEU 104 -17.431  -2.105  -3.499
  799    HA   LEU 104           HA       LEU 104 -15.299  -3.479  -2.151
  800   1HB   LEU 104          2HB       LEU 104 -18.015  -2.439  -1.266
  801   2HB   LEU 104          3HB       LEU 104 -16.913  -3.233  -0.156
  802    HG   LEU 104           HG       LEU 104 -16.038  -0.808  -1.781
  803   1HD1  LEU 104          1HD1      LEU 104 -17.332  -0.893   0.970
  804   2HD1  LEU 104          2HD1      LEU 104 -16.542   0.533   0.259
  805   3HD1  LEU 104          3HD1      LEU 104 -17.998  -0.141  -0.491
  806   1HD2  LEU 104          1HD2      LEU 104 -15.007  -2.012   0.820
  807   2HD2  LEU 104          2HD2      LEU 104 -14.212  -2.131  -0.765
  808   3HD2  LEU 104          3HD2      LEU 104 -14.376  -0.561   0.025
  809    H    GLN 105           H        GLN 105 -18.642  -4.466  -3.037
  810    HA   GLN 105           HA       GLN 105 -18.520  -7.014  -1.738
  811   1HB   GLN 105          2HB       GLN 105 -20.084  -6.033  -4.146
  812   2HB   GLN 105          3HB       GLN 105 -20.344  -7.613  -3.414
  813   1HG   GLN 105          2HG       GLN 105 -20.570  -5.087  -1.728
  814   2HG   GLN 105          3HG       GLN 105 -21.880  -5.614  -2.765
  815   1HE2  GLN 105          2HE2      GLN 105 -23.372  -6.959  -1.850
  816   2HE2  GLN 105          1HE2      GLN 105 -23.090  -7.944  -0.444
  817    H    ASP 106           H        ASP 106 -17.708  -6.006  -5.077
  818    HA   ASP 106           HA       ASP 106 -16.797  -8.514  -6.052
  819   1HB   ASP 106          2HB       ASP 106 -17.118  -6.704  -7.579
  820   2HB   ASP 106          3HB       ASP 106 -15.982  -5.670  -6.719
  821    H    ALA 107           H        ALA 107 -15.013  -5.989  -4.214
  822    HA   ALA 107           HA       ALA 107 -12.541  -7.467  -4.122
  823   1HB   ALA 107          1HB       ALA 107 -13.556  -5.204  -2.346
  824   2HB   ALA 107          2HB       ALA 107 -11.873  -5.745  -2.504
  825   3HB   ALA 107          3HB       ALA 107 -12.695  -5.008  -3.892
  826    H    ALA 108           H        ALA 108 -15.455  -8.195  -2.653
  827    HA   ALA 108           HA       ALA 108 -16.219  -9.209  -0.842
  828   1HB   ALA 108          1HB       ALA 108 -15.072 -11.203  -0.045
  829   2HB   ALA 108          2HB       ALA 108 -14.974 -11.102  -1.811
  830   3HB   ALA 108          3HB       ALA 108 -13.559 -10.683  -0.814
  831    H    ALA 109           H        ALA 109 -15.025  -6.657  -0.429
  832    HA   ALA 109           HA       ALA 109 -13.563  -6.666   2.108
  833   1HB   ALA 109          1HB       ALA 109 -13.194  -4.938   0.377
  834   2HB   ALA 109          2HB       ALA 109 -14.890  -4.434   0.500
  835   3HB   ALA 109          3HB       ALA 109 -13.810  -4.225   1.893
  836    H    THR 110           H        THR 110 -16.898  -5.768   0.969
  837    HA   THR 110           HA       THR 110 -17.931  -5.488   3.677
  838    HB   THR 110           HB       THR 110 -20.130  -5.532   2.209
  839    HG1  THR 110           1HG      THR 110 -19.560  -6.145   0.244
  840   1HG2  THR 110          1HG2      THR 110 -19.214  -3.469   3.177
  841   2HG2  THR 110          2HG2      THR 110 -18.026  -3.355   1.862
  842   3HG2  THR 110          3HG2      THR 110 -19.760  -3.185   1.516
  843    H    ALA 111           H        ALA 111 -17.831  -7.949   1.154
  844    HA   ALA 111           HA       ALA 111 -18.513 -10.076   0.976
  845   1HB   ALA 111          1HB       ALA 111 -16.576 -10.336   2.489
  846   2HB   ALA 111          2HB       ALA 111 -17.665 -10.256   3.893
  847   3HB   ALA 111          3HB       ALA 111 -17.789 -11.598   2.737
  848    H    LYS 112           H        LYS 112 -20.664  -8.190   1.666
  849    HA   LYS 112           HA       LYS 112 -22.559  -9.714   3.323
  850   1HB   LYS 112          2HB       LYS 112 -22.777  -7.205   1.612
  851   2HB   LYS 112          3HB       LYS 112 -24.192  -7.987   2.339
  852   1HG   LYS 112          2HG       LYS 112 -23.279  -7.744   4.572
  853   2HG   LYS 112          3HG       LYS 112 -21.752  -7.102   3.944
  854   1HD   LYS 112          2HD       LYS 112 -22.839  -5.099   3.121
  855   2HD   LYS 112          3HD       LYS 112 -24.447  -5.738   3.544
  856   1HE   LYS 112          2HE       LYS 112 -23.887  -5.758   5.915
  857   2HE   LYS 112          3HE       LYS 112 -22.211  -5.303   5.577
  858   1HZ   LYS 112          1HZ       LYS 112 -24.520  -3.563   4.941
  859   2HZ   LYS 112          2HZ       LYS 112 -23.630  -3.442   6.303
  860   3HZ   LYS 112          3HZ       LYS 112 -22.916  -3.173   4.859
  861    H    ASN 113           H        ASN 113 -21.331  -9.864   0.135
  862    HA   ASN 113           HA       ASN 113 -23.239 -12.021  -0.516
  863   1HB   ASN 113          2HB       ASN 113 -23.746  -9.985  -1.932
  864   2HB   ASN 113          3HB       ASN 113 -22.085 -10.025  -2.530
  865   1HD2  ASN 113          2HD2      ASN 113 -25.202 -10.929  -3.342
  866   2HD2  ASN 113          1HD2      ASN 113 -24.824 -12.261  -4.400
  867    HA   PRO 114           HA       PRO 114 -19.115 -13.796  -0.424
  868   1HB   PRO 114          2HB       PRO 114 -19.535 -16.284  -1.528
  869   2HB   PRO 114          3HB       PRO 114 -20.093 -15.809   0.104
  870   1HG   PRO 114          2HG       PRO 114 -21.679 -15.776  -2.486
  871   2HG   PRO 114          3HG       PRO 114 -22.151 -16.494  -0.910
  872   1HD   PRO 114          2HD       PRO 114 -23.005 -14.033  -1.630
  873   2HD   PRO 114          3HD       PRO 114 -22.506 -14.355   0.056
  874    H    ALA 115           H        ALA 115 -20.672 -12.897  -3.321
  875    HA   ALA 115           HA       ALA 115 -18.180 -13.072  -4.899
  876   1HB   ALA 115          1HB       ALA 115 -20.959 -13.878  -5.884
  877   2HB   ALA 115          2HB       ALA 115 -19.458 -13.872  -6.839
  878   3HB   ALA 115          3HB       ALA 115 -19.644 -15.015  -5.505
  879    H    GLN 116           H        GLN 116 -19.314 -11.883  -7.187
  880    HA   GLN 116           HA       GLN 116 -19.252  -9.122  -6.519
  881   1HB   GLN 116          2HB       GLN 116 -20.320 -10.500  -9.026
  882   2HB   GLN 116          3HB       GLN 116 -19.962  -8.774  -8.868
  883   1HG   GLN 116          2HG       GLN 116 -17.587  -9.365  -8.320
  884   2HG   GLN 116          3HG       GLN 116 -17.935 -11.051  -8.692
  885   1HE2  GLN 116          2HE2      GLN 116 -16.234  -8.763  -9.988
  886   2HE2  GLN 116          1HE2      GLN 116 -16.645  -8.891 -11.697
  887    H    LEU 117           H        LEU 117 -20.870  -7.551  -6.597
  888    HA   LEU 117           HA       LEU 117 -23.357  -8.107  -5.339
  889   1HB   LEU 117          2HB       LEU 117 -22.095  -5.950  -5.310
  890   2HB   LEU 117          3HB       LEU 117 -22.481  -5.706  -7.004
  891    HG   LEU 117           HG       LEU 117 -23.779  -4.370  -5.346
  892   1HD1  LEU 117          1HD1      LEU 117 -24.637  -4.792  -7.652
  893   2HD1  LEU 117          2HD1      LEU 117 -25.638  -6.108  -6.995
  894   3HD1  LEU 117          3HD1      LEU 117 -25.883  -4.448  -6.444
  895   1HD2  LEU 117          1HD2      LEU 117 -25.212  -6.961  -4.664
  896   2HD2  LEU 117          2HD2      LEU 117 -24.026  -6.133  -3.630
  897   3HD2  LEU 117          3HD2      LEU 117 -25.554  -5.338  -4.036
  Start of MODEL    9
    1   1H    MET   1           H1       MET   1  19.329  13.586   4.065
    2   2H    MET   1           H2       MET   1  19.674  12.656   2.765
    3   3H    MET   1           H3       MET   1  18.443  13.728   2.693
    4    HA   MET   1           HA       MET   1  18.585  11.365   4.428
    5   1HB   MET   1          2HB       MET   1  17.311  13.181   5.485
    6   2HB   MET   1          3HB       MET   1  16.255  13.299   4.073
    7   1HG   MET   1          2HG       MET   1  15.517  10.944   4.459
    8   2HG   MET   1          3HG       MET   1  16.577  10.857   5.870
    9   1HE   MET   1          1HE       MET   1  12.956  10.809   7.390
   10   2HE   MET   1          2HE       MET   1  13.479  10.093   5.850
   11   3HE   MET   1          3HE       MET   1  14.519   9.969   7.288
   12    H    ALA   2           H        ALA   2  16.116  12.572   2.044
   13    HA   ALA   2           HA       ALA   2  15.560   9.924   1.178
   14   1HB   ALA   2          1HB       ALA   2  13.930  11.790   1.095
   15   2HB   ALA   2          2HB       ALA   2  14.914  12.593  -0.156
   16   3HB   ALA   2          3HB       ALA   2  14.133  11.035  -0.493
   17    H    SER   3           H        SER   3  15.691   9.112  -1.008
   18    HA   SER   3           HA       SER   3  17.558  10.168  -2.937
   19   1HB   SER   3          2HB       SER   3  18.965   8.141  -2.992
   20   2HB   SER   3          3HB       SER   3  19.091   8.922  -1.411
   21    HG   SER   3           HG       SER   3  18.798   6.733  -1.112
   22    H    LYS   4           H        LYS   4  17.463   8.524  -4.893
   23    HA   LYS   4           HA       LYS   4  14.761   7.790  -5.486
   24   1HB   LYS   4          2HB       LYS   4  17.390   6.799  -6.684
   25   2HB   LYS   4          3HB       LYS   4  15.783   6.432  -7.328
   26   1HG   LYS   4          2HG       LYS   4  15.342   8.854  -7.649
   27   2HG   LYS   4          3HG       LYS   4  16.972   9.229  -7.052
   28   1HD   LYS   4          2HD       LYS   4  17.959   7.909  -8.908
   29   2HD   LYS   4          3HD       LYS   4  16.326   7.541  -9.511
   30   1HE   LYS   4          2HE       LYS   4  15.892   9.970  -9.809
   31   2HE   LYS   4          3HE       LYS   4  17.514  10.338  -9.210
   32   1HZ   LYS   4          1HZ       LYS   4  16.916   8.801 -11.672
   33   2HZ   LYS   4          2HZ       LYS   4  17.439  10.342 -11.619
   34   3HZ   LYS   4          3HZ       LYS   4  18.418   9.141 -11.119
   35    H    GLN   5           H        GLN   5  17.458   5.931  -3.969
   36    HA   GLN   5           HA       GLN   5  15.939   3.488  -4.090
   37   1HB   GLN   5          2HB       GLN   5  18.407   3.514  -4.026
   38   2HB   GLN   5          3HB       GLN   5  18.362   4.157  -2.379
   39   1HG   GLN   5          2HG       GLN   5  18.798   1.718  -2.443
   40   2HG   GLN   5          3HG       GLN   5  17.341   2.104  -1.546
   41   1HE2  GLN   5          2HE2      GLN   5  15.266   1.532  -2.452
   42   2HE2  GLN   5          1HE2      GLN   5  15.079   0.447  -3.809
   43    H    GLU   6           H        GLU   6  16.260   6.104  -1.605
   44    HA   GLU   6           HA       GLU   6  14.833   4.637   0.414
   45   1HB   GLU   6          2HB       GLU   6  15.303   7.578  -0.090
   46   2HB   GLU   6          3HB       GLU   6  14.266   7.030   1.224
   47   1HG   GLU   6          2HG       GLU   6  17.076   5.951   0.886
   48   2HG   GLU   6          3HG       GLU   6  16.761   7.457   1.758
   49    H    LEU   7           H        LEU   7  13.812   6.855  -2.222
   50    HA   LEU   7           HA       LEU   7  11.039   6.857  -1.633
   51   1HB   LEU   7          2HB       LEU   7  12.240   8.419  -3.190
   52   2HB   LEU   7          3HB       LEU   7  12.454   7.088  -4.325
   53    HG   LEU   7           HG       LEU   7   9.945   6.894  -4.517
   54   1HD1  LEU   7          1HD1      LEU   7  10.010   9.435  -2.819
   55   2HD1  LEU   7          2HD1      LEU   7   8.601   8.866  -3.738
   56   3HD1  LEU   7          3HD1      LEU   7   9.228   7.896  -2.397
   57   1HD2  LEU   7          1HD2      LEU   7  11.286   8.158  -6.148
   58   2HD2  LEU   7          2HD2      LEU   7   9.700   8.905  -5.914
   59   3HD2  LEU   7          3HD2      LEU   7  11.140   9.624  -5.156
   60    H    ASP   8           H        ASP   8  13.007   4.687  -3.731
   61    HA   ASP   8           HA       ASP   8  10.820   3.055  -4.573
   62   1HB   ASP   8          2HB       ASP   8  12.878   3.081  -5.833
   63   2HB   ASP   8          3HB       ASP   8  13.823   2.624  -4.418
   64    H    ALA   9           H        ALA   9  13.002   2.821  -1.725
   65    HA   ALA   9           HA       ALA   9  12.061   0.230  -0.926
   66   1HB   ALA   9          1HB       ALA   9  14.172   1.197  -0.076
   67   2HB   ALA   9          2HB       ALA   9  13.271   2.499   0.731
   68   3HB   ALA   9          3HB       ALA   9  13.071   0.817   1.264
   69    H    ALA  10           H        ALA  10  11.089   3.584  -0.064
   70    HA   ALA  10           HA       ALA  10   8.921   2.894   1.644
   71   1HB   ALA  10          1HB       ALA  10   9.394   5.330  -0.128
   72   2HB   ALA  10          2HB       ALA  10   8.140   5.200   1.117
   73   3HB   ALA  10          3HB       ALA  10   9.850   5.145   1.575
   74    H    LEU  11           H        LEU  11   9.076   3.325  -1.943
   75    HA   LEU  11           HA       LEU  11   6.314   2.885  -2.415
   76   1HB   LEU  11          2HB       LEU  11   7.853   3.784  -4.118
   77   2HB   LEU  11          3HB       LEU  11   8.728   2.255  -4.160
   78    HG   LEU  11           HG       LEU  11   6.760   1.085  -5.064
   79   1HD1  LEU  11          1HD1      LEU  11   4.893   2.290  -4.128
   80   2HD1  LEU  11          2HD1      LEU  11   5.453   3.820  -4.829
   81   3HD1  LEU  11          3HD1      LEU  11   4.824   2.522  -5.873
   82   1HD2  LEU  11          1HD2      LEU  11   8.386   2.096  -6.595
   83   2HD2  LEU  11          2HD2      LEU  11   6.754   2.165  -7.279
   84   3HD2  LEU  11          3HD2      LEU  11   7.481   3.624  -6.575
   85    H    LYS  12           H        LYS  12   9.019   0.476  -2.246
   86    HA   LYS  12           HA       LYS  12   7.371  -1.743  -2.840
   87   1HB   LYS  12          2HB       LYS  12   9.846  -1.699  -2.857
   88   2HB   LYS  12          3HB       LYS  12   9.870  -1.534  -1.096
   89   1HG   LYS  12          2HG       LYS  12   8.769  -3.751  -0.874
   90   2HG   LYS  12          3HG       LYS  12   8.771  -3.933  -2.634
   91   1HD   LYS  12          2HD       LYS  12  11.245  -3.508  -0.904
   92   2HD   LYS  12          3HD       LYS  12  10.672  -5.099  -1.399
   93   1HE   LYS  12          2HE       LYS  12  11.579  -2.886  -3.303
   94   2HE   LYS  12          3HE       LYS  12  12.582  -4.227  -2.757
   95   1HZ   LYS  12          1HZ       LYS  12  11.037  -5.757  -3.825
   96   2HZ   LYS  12          2HZ       LYS  12  10.109  -4.520  -4.362
   97   3HZ   LYS  12          3HZ       LYS  12  11.634  -4.696  -4.905
   98    H    LYS  13           H        LYS  13   8.145  -0.198   0.331
   99    HA   LYS  13           HA       LYS  13   6.555  -1.984   1.876
  100   1HB   LYS  13          2HB       LYS  13   8.223  -0.413   2.829
  101   2HB   LYS  13          3HB       LYS  13   7.225   0.956   2.362
  102   1HG   LYS  13          2HG       LYS  13   7.002   0.466   4.750
  103   2HG   LYS  13          3HG       LYS  13   5.474   0.310   3.910
  104   1HD   LYS  13          2HD       LYS  13   5.734  -1.461   5.580
  105   2HD   LYS  13          3HD       LYS  13   5.600  -2.125   3.965
  106   1HE   LYS  13          2HE       LYS  13   7.279  -3.374   5.116
  107   2HE   LYS  13          3HE       LYS  13   8.095  -2.413   3.885
  108   1HZ   LYS  13          1HZ       LYS  13   7.959  -1.742   6.775
  109   2HZ   LYS  13          2HZ       LYS  13   9.254  -2.357   6.008
  110   3HZ   LYS  13          3HZ       LYS  13   8.747  -0.853   5.648
  111    H    ALA  14           H        ALA  14   5.643   1.137   0.257
  112    HA   ALA  14           HA       ALA  14   2.966   1.122   1.142
  113   1HB   ALA  14          1HB       ALA  14   4.063   3.077   0.076
  114   2HB   ALA  14          2HB       ALA  14   4.028   2.230  -1.490
  115   3HB   ALA  14          3HB       ALA  14   2.512   2.665  -0.676
  116    H    LYS  15           H        LYS  15   4.395  -0.418  -1.807
  117    HA   LYS  15           HA       LYS  15   1.916  -1.382  -2.836
  118   1HB   LYS  15          2HB       LYS  15   4.793  -2.332  -3.146
  119   2HB   LYS  15          3HB       LYS  15   3.432  -3.133  -3.945
  120   1HG   LYS  15          2HG       LYS  15   2.812  -1.109  -5.113
  121   2HG   LYS  15          3HG       LYS  15   4.077  -0.174  -4.295
  122   1HD   LYS  15          2HD       LYS  15   5.816  -1.542  -5.370
  123   2HD   LYS  15          3HD       LYS  15   4.571  -2.577  -6.109
  124   1HE   LYS  15          2HE       LYS  15   3.657  -0.588  -7.311
  125   2HE   LYS  15          3HE       LYS  15   4.943   0.409  -6.627
  126   1HZ   LYS  15          1HZ       LYS  15   5.492  -0.345  -8.862
  127   2HZ   LYS  15          2HZ       LYS  15   6.553  -1.001  -7.811
  128   3HZ   LYS  15          3HZ       LYS  15   5.347  -1.908  -8.439
  129    H    GLU  16           H        GLU  16   4.252  -2.908  -0.548
  130    HA   GLU  16           HA       GLU  16   2.832  -5.357  -0.313
  131   1HB   GLU  16          2HB       GLU  16   5.152  -4.984   0.453
  132   2HB   GLU  16          3HB       GLU  16   4.576  -3.913   1.736
  133   1HG   GLU  16          2HG       GLU  16   3.328  -5.781   2.763
  134   2HG   GLU  16          3HG       GLU  16   3.796  -6.847   1.436
  135    H    LEU  17           H        LEU  17   2.633  -2.333   1.633
  136    HA   LEU  17           HA       LEU  17   0.586  -3.181   3.399
  137   1HB   LEU  17          2HB       LEU  17   1.364  -0.441   2.337
  138   2HB   LEU  17          3HB       LEU  17   0.130  -0.657   3.570
  139    HG   LEU  17           HG       LEU  17   2.980  -1.687   3.928
  140   1HD1  LEU  17          1HD1      LEU  17   1.785   0.967   4.806
  141   2HD1  LEU  17          2HD1      LEU  17   3.376   0.345   5.286
  142   3HD1  LEU  17          3HD1      LEU  17   3.059   0.743   3.591
  143   1HD2  LEU  17          1HD2      LEU  17   1.330  -2.722   5.433
  144   2HD2  LEU  17          2HD2      LEU  17   2.402  -1.642   6.323
  145   3HD2  LEU  17          3HD2      LEU  17   0.756  -1.107   5.930
  146    H    ALA  18           H        ALA  18   0.340  -1.503   0.231
  147    HA   ALA  18           HA       ALA  18  -2.464  -1.257   0.123
  148   1HB   ALA  18          1HB       ALA  18  -2.110  -0.989  -2.302
  149   2HB   ALA  18          2HB       ALA  18  -0.906  -0.067  -1.384
  150   3HB   ALA  18          3HB       ALA  18  -0.458  -1.612  -2.142
  151    H    SER  19           H        SER  19  -0.427  -4.089  -0.367
  152    HA   SER  19           HA       SER  19  -2.592  -5.615  -1.679
  153   1HB   SER  19          2HB       SER  19   0.259  -6.420  -0.970
  154   2HB   SER  19          3HB       SER  19  -0.861  -7.275  -2.044
  155    HG   SER  19           HG       SER  19   0.396  -4.755  -2.406
  156    H    SER  20           H        SER  20  -1.670  -4.928   1.539
  157    HA   SER  20           HA       SER  20  -1.717  -7.611   2.582
  158   1HB   SER  20          2HB       SER  20  -1.791  -4.882   3.914
  159   2HB   SER  20          3HB       SER  20  -1.599  -6.415   4.775
  160    HG   SER  20           HG       SER  20   0.146  -5.555   2.681
  161    H    ALA  21           H        ALA  21  -4.370  -5.512   1.754
  162    HA   ALA  21           HA       ALA  21  -6.256  -7.308   3.095
  163   1HB   ALA  21          1HB       ALA  21  -5.813  -5.646   4.859
  164   2HB   ALA  21          2HB       ALA  21  -6.091  -4.319   3.708
  165   3HB   ALA  21          3HB       ALA  21  -7.430  -5.358   4.202
  166    HA   PRO  22           HA       PRO  22  -8.537  -6.274  -0.560
  167   1HB   PRO  22          2HB       PRO  22 -11.186  -6.330   0.193
  168   2HB   PRO  22          3HB       PRO  22 -10.159  -7.786   0.042
  169   1HG   PRO  22          2HG       PRO  22 -10.777  -6.201   2.558
  170   2HG   PRO  22          3HG       PRO  22 -10.892  -7.976   2.312
  171   1HD   PRO  22          2HD       PRO  22  -8.721  -6.886   3.469
  172   2HD   PRO  22          3HD       PRO  22  -8.526  -8.209   2.289
  173    H    VAL  23           H        VAL  23  -8.712  -4.090   2.165
  174    HA   VAL  23           HA       VAL  23  -9.107  -1.881   0.295
  175    HB   VAL  23           HB       VAL  23 -10.648  -2.085   2.909
  176   1HG1  VAL  23          1HG1      VAL  23 -10.557   0.118   0.808
  177   2HG1  VAL  23          2HG1      VAL  23 -11.756   0.036   2.113
  178   3HG1  VAL  23          3HG1      VAL  23 -10.044   0.230   2.495
  179   1HG2  VAL  23          1HG2      VAL  23 -11.765  -2.187   0.099
  180   2HG2  VAL  23          2HG2      VAL  23 -11.741  -3.498   1.294
  181   3HG2  VAL  23          3HG2      VAL  23 -12.706  -2.063   1.609
  182    H    VAL  24           H        VAL  24  -7.717  -0.194   0.910
  183    HA   VAL  24           HA       VAL  24  -6.405  -0.356   3.564
  184    HB   VAL  24           HB       VAL  24  -4.840  -0.073   0.962
  185   1HG1  VAL  24          1HG1      VAL  24  -3.783   1.066   2.872
  186   2HG1  VAL  24          2HG1      VAL  24  -3.925  -0.409   3.856
  187   3HG1  VAL  24          3HG1      VAL  24  -2.864  -0.371   2.435
  188   1HG2  VAL  24          1HG2      VAL  24  -5.594  -2.392   1.075
  189   2HG2  VAL  24          2HG2      VAL  24  -3.893  -2.319   1.487
  190   3HG2  VAL  24          3HG2      VAL  24  -5.082  -2.506   2.774
  191    H    VAL  25           H        VAL  25  -6.196   1.616   4.449
  192    HA   VAL  25           HA       VAL  25  -6.771   4.028   2.796
  193    HB   VAL  25           HB       VAL  25  -7.549   3.467   5.691
  194   1HG1  VAL  25          1HG1      VAL  25  -7.241   5.858   5.201
  195   2HG1  VAL  25          2HG1      VAL  25  -8.294   5.732   3.783
  196   3HG1  VAL  25          3HG1      VAL  25  -8.957   5.497   5.418
  197   1HG2  VAL  25          1HG2      VAL  25  -8.882   2.016   4.235
  198   2HG2  VAL  25          2HG2      VAL  25  -9.870   3.326   4.874
  199   3HG2  VAL  25          3HG2      VAL  25  -9.294   3.400   3.194
  200    H    PHE  26           H        PHE  26  -4.690   4.704   2.429
  201    HA   PHE  26           HA       PHE  26  -2.723   4.946   4.615
  202   1HB   PHE  26          2HB       PHE  26  -2.798   6.082   1.794
  203   2HB   PHE  26          3HB       PHE  26  -1.445   6.210   2.905
  204    HD1  PHE  26           1HD      PHE  26  -0.066   4.201   3.467
  205    HD2  PHE  26           2HD      PHE  26  -3.255   4.000   0.571
  206    HE1  PHE  26           1HE      PHE  26   0.836   2.059   2.626
  207    HE2  PHE  26           2HE      PHE  26  -2.354   1.836  -0.251
  208    HZ   PHE  26           HZ       PHE  26  -0.312   0.870   0.770
  209    H    SER  27           H        SER  27  -2.808   6.711   6.019
  210    HA   SER  27           HA       SER  27  -4.355   9.112   5.287
  211   1HB   SER  27          2HB       SER  27  -5.862   8.678   7.288
  212   2HB   SER  27          3HB       SER  27  -6.134   7.652   5.886
  213    HG   SER  27           HG       SER  27  -4.981   6.000   6.943
  214    H    LYS  28           H        LYS  28  -4.691  10.336   7.562
  215    HA   LYS  28           HA       LYS  28  -2.199  10.191   9.167
  216   1HB   LYS  28          2HB       LYS  28  -3.687  12.670   8.212
  217   2HB   LYS  28          3HB       LYS  28  -2.472  12.709   9.485
  218   1HG   LYS  28          2HG       LYS  28  -1.917  11.776   6.639
  219   2HG   LYS  28          3HG       LYS  28  -1.666  13.423   7.226
  220   1HD   LYS  28          2HD       LYS  28  -0.003  12.626   8.866
  221   2HD   LYS  28          3HD       LYS  28  -0.284  10.955   8.351
  222   1HE   LYS  28          2HE       LYS  28   1.725  11.686   7.297
  223   2HE   LYS  28          3HE       LYS  28   0.477  11.531   6.056
  224   1HZ   LYS  28          1HZ       LYS  28   1.471  14.059   7.248
  225   2HZ   LYS  28          2HZ       LYS  28   1.701  13.528   5.713
  226   3HZ   LYS  28          3HZ       LYS  28   0.212  13.984   6.200
  227    H    THR  29           H        THR  29  -2.676  11.355  11.323
  228    HA   THR  29           HA       THR  29  -4.664   9.686  12.528
  229    HB   THR  29           HB       THR  29  -3.610  10.975  14.591
  230    HG1  THR  29           1HG      THR  29  -1.658  11.955  14.078
  231   1HG2  THR  29          1HG2      THR  29  -3.032   8.657  13.933
  232   2HG2  THR  29          2HG2      THR  29  -1.861   9.284  12.751
  233   3HG2  THR  29          3HG2      THR  29  -1.616   9.557  14.490
  234    H    TYR  30           H        TYR  30  -4.850  13.000  11.434
  235    HA   TYR  30           HA       TYR  30  -7.135  13.470  13.304
  236   1HB   TYR  30          2HB       TYR  30  -6.303  15.733  13.607
  237   2HB   TYR  30          3HB       TYR  30  -5.102  14.551  14.096
  238    HD1  TYR  30           1HD      TYR  30  -3.003  14.246  12.797
  239    HD2  TYR  30           2HD      TYR  30  -5.976  17.138  11.598
  240    HE1  TYR  30           1HE      TYR  30  -1.400  15.213  11.174
  241    HE2  TYR  30           2HE      TYR  30  -4.402  18.091   9.960
  242    HH   TYR  30           HH       TYR  30  -2.234  18.019   9.083
  243    H    CYS  31           H        CYS  31  -5.986  13.920   9.946
  244    HA   CYS  31           HA       CYS  31  -7.551  16.053   9.240
  245   1HB   CYS  31          2HB       CYS  31  -6.836  13.657   7.515
  246   2HB   CYS  31          3HB       CYS  31  -7.276  15.276   6.939
  247    H    GLY  32           H        GLY  32  -9.601  16.457   8.794
  248   1HA   GLY  32          1HA       GLY  32 -11.705  14.762   9.556
  249   2HA   GLY  32          2HA       GLY  32 -11.854  16.230   8.571
  250    H    TYR  33           H        TYR  33 -10.151  15.139   6.366
  251    HA   TYR  33           HA       TYR  33 -12.161  13.682   4.896
  252   1HB   TYR  33          2HB       TYR  33  -9.221  14.213   4.303
  253   2HB   TYR  33          3HB       TYR  33 -10.377  13.541   3.166
  254    HD1  TYR  33           1HD      TYR  33  -8.934  16.583   4.378
  255    HD2  TYR  33           2HD      TYR  33 -12.544  14.932   2.676
  256    HE1  TYR  33           1HE      TYR  33  -9.639  18.849   3.681
  257    HE2  TYR  33           2HE      TYR  33 -13.255  17.192   1.974
  258    HH   TYR  33           HH       TYR  33 -12.724  19.463   1.936
  259    H    CYS  34           H        CYS  34  -9.231  12.726   6.710
  260    HA   CYS  34           HA       CYS  34  -9.216   9.969   5.781
  261   1HB   CYS  34          2HB       CYS  34  -8.000  11.308   8.250
  262   2HB   CYS  34          3HB       CYS  34  -7.754   9.628   7.783
  263    HG   CYS  34           HG       CYS  34  -7.128  12.317   5.922
  264    H    ASN  35           H        ASN  35 -10.477  11.690   8.682
  265    HA   ASN  35           HA       ASN  35 -11.774   9.446   9.849
  266   1HB   ASN  35          2HB       ASN  35 -11.586  11.560  11.062
  267   2HB   ASN  35          3HB       ASN  35 -12.603  12.374   9.868
  268   1HD2  ASN  35          2HD2      ASN  35 -14.664  12.699  10.717
  269   2HD2  ASN  35          1HD2      ASN  35 -15.520  11.545  11.699
  270    H    ARG  36           H        ARG  36 -13.035  11.778   7.368
  271    HA   ARG  36           HA       ARG  36 -15.590  10.604   7.149
  272   1HB   ARG  36          2HB       ARG  36 -13.870  12.184   5.228
  273   2HB   ARG  36          3HB       ARG  36 -15.425  11.534   4.699
  274   1HG   ARG  36          2HG       ARG  36 -16.663  12.793   6.258
  275   2HG   ARG  36          3HG       ARG  36 -15.250  13.137   7.260
  276   1HD   ARG  36          2HD       ARG  36 -14.302  14.568   5.457
  277   2HD   ARG  36          3HD       ARG  36 -15.694  14.196   4.436
  278    HE   ARG  36           HE       ARG  36 -16.898  15.784   5.509
  279   1HH1  ARG  36          1HH2      ARG  36 -14.253  14.885   7.714
  280   2HH1  ARG  36          2HH2      ARG  36 -14.613  16.140   8.857
  281   1HH2  ARG  36          1HH1      ARG  36 -17.356  17.437   7.025
  282   2HH2  ARG  36          2HH1      ARG  36 -16.404  17.619   8.448
  283    H    VAL  37           H        VAL  37 -12.597   9.651   5.269
  284    HA   VAL  37           HA       VAL  37 -13.991   7.598   3.840
  285    HB   VAL  37           HB       VAL  37 -11.063   7.816   4.664
  286   1HG1  VAL  37          1HG1      VAL  37 -11.521   5.427   4.265
  287   2HG1  VAL  37          2HG1      VAL  37 -12.346   5.816   2.740
  288   3HG1  VAL  37          3HG1      VAL  37 -10.601   6.100   2.931
  289   1HG2  VAL  37          1HG2      VAL  37 -10.879   8.320   2.169
  290   2HG2  VAL  37          2HG2      VAL  37 -12.653   8.381   2.131
  291   3HG2  VAL  37          3HG2      VAL  37 -11.753   9.535   3.118
  292    H    LYS  38           H        LYS  38 -12.248   7.457   6.986
  293    HA   LYS  38           HA       LYS  38 -12.688   4.691   7.414
  294   1HB   LYS  38          2HB       LYS  38 -12.289   7.007   9.352
  295   2HB   LYS  38          3HB       LYS  38 -12.314   5.315   9.861
  296   1HG   LYS  38          2HG       LYS  38 -10.396   4.760   8.525
  297   2HG   LYS  38          3HG       LYS  38 -10.467   6.270   7.631
  298   1HD   LYS  38          2HD       LYS  38  -9.871   7.525   9.709
  299   2HD   LYS  38          3HD       LYS  38  -9.645   5.966  10.544
  300   1HE   LYS  38          2HE       LYS  38  -7.955   5.292   8.875
  301   2HE   LYS  38          3HE       LYS  38  -8.258   6.747   7.931
  302   1HZ   LYS  38          1HZ       LYS  38  -6.281   7.009   9.172
  303   2HZ   LYS  38          2HZ       LYS  38  -7.370   8.043   9.833
  304   3HZ   LYS  38          3HZ       LYS  38  -6.975   6.660  10.616
  305    H    GLN  39           H        GLN  39 -14.823   7.463   8.373
  306    HA   GLN  39           HA       GLN  39 -16.833   5.739   9.493
  307   1HB   GLN  39          2HB       GLN  39 -17.166   8.517   8.286
  308   2HB   GLN  39          3HB       GLN  39 -18.342   7.672   9.288
  309   1HG   GLN  39          2HG       GLN  39 -15.703   8.873  10.122
  310   2HG   GLN  39          3HG       GLN  39 -17.302   9.296  10.671
  311   1HE2  GLN  39          2HE2      GLN  39 -14.739   8.378  12.078
  312   2HE2  GLN  39          1HE2      GLN  39 -15.265   7.057  13.108
  313    H    LEU  40           H        LEU  40 -16.323   6.972   6.144
  314    HA   LEU  40           HA       LEU  40 -18.829   6.217   5.087
  315   1HB   LEU  40          2HB       LEU  40 -16.979   7.654   4.036
  316   2HB   LEU  40          3HB       LEU  40 -16.153   6.157   3.634
  317    HG   LEU  40           HG       LEU  40 -18.261   5.526   2.272
  318   1HD1  LEU  40          1HD1      LEU  40 -18.885   8.460   2.856
  319   2HD1  LEU  40          2HD1      LEU  40 -19.637   7.505   1.570
  320   3HD1  LEU  40          3HD1      LEU  40 -19.897   7.052   3.259
  321   1HD2  LEU  40          1HD2      LEU  40 -16.186   6.312   1.253
  322   2HD2  LEU  40          2HD2      LEU  40 -17.598   6.948   0.403
  323   3HD2  LEU  40          3HD2      LEU  40 -16.678   8.002   1.505
  324    H    LEU  41           H        LEU  41 -15.734   4.416   5.241
  325    HA   LEU  41           HA       LEU  41 -16.753   2.005   4.046
  326   1HB   LEU  41          2HB       LEU  41 -14.338   2.568   5.804
  327   2HB   LEU  41          3HB       LEU  41 -14.649   1.016   5.022
  328    HG   LEU  41           HG       LEU  41 -14.305   3.632   3.490
  329   1HD1  LEU  41          1HD1      LEU  41 -12.258   3.044   4.712
  330   2HD1  LEU  41          2HD1      LEU  41 -12.288   1.415   4.014
  331   3HD1  LEU  41          3HD1      LEU  41 -12.044   2.832   2.966
  332   1HD2  LEU  41          1HD2      LEU  41 -14.339   0.721   2.566
  333   2HD2  LEU  41          2HD2      LEU  41 -15.554   1.967   2.198
  334   3HD2  LEU  41          3HD2      LEU  41 -13.921   2.118   1.550
  335    H    THR  42           H        THR  42 -16.388   3.082   7.468
  336    HA   THR  42           HA       THR  42 -17.216   0.661   8.674
  337    HB   THR  42           HB       THR  42 -17.619   3.546   9.582
  338    HG1  THR  42           1HG      THR  42 -15.481   3.116   9.340
  339   1HG2  THR  42          1HG2      THR  42 -19.053   2.098  10.935
  340   2HG2  THR  42          2HG2      THR  42 -17.714   0.956  11.192
  341   3HG2  THR  42          3HG2      THR  42 -17.650   2.594  11.886
  342    H    GLN  43           H        GLN  43 -19.189   3.382   7.368
  343    HA   GLN  43           HA       GLN  43 -21.655   2.425   8.417
  344   1HB   GLN  43          2HB       GLN  43 -20.939   4.304   6.148
  345   2HB   GLN  43          3HB       GLN  43 -22.621   3.889   6.486
  346   1HG   GLN  43          2HG       GLN  43 -22.548   4.788   8.696
  347   2HG   GLN  43          3HG       GLN  43 -20.792   4.927   8.682
  348   1HE2  GLN  43          2HE2      GLN  43 -19.801   6.485   7.230
  349   2HE2  GLN  43          1HE2      GLN  43 -20.671   7.948   6.771
  350    H    VAL  44           H        VAL  44 -20.005   1.623   5.325
  351    HA   VAL  44           HA       VAL  44 -22.266  -0.089   4.546
  352    HB   VAL  44           HB       VAL  44 -20.863  -0.659   2.587
  353   1HG1  VAL  44          1HG1      VAL  44 -21.205   2.333   3.040
  354   2HG1  VAL  44          2HG1      VAL  44 -21.104   1.490   1.479
  355   3HG1  VAL  44          3HG1      VAL  44 -22.487   1.203   2.544
  356   1HG2  VAL  44          1HG2      VAL  44 -18.600  -0.328   3.519
  357   2HG2  VAL  44          2HG2      VAL  44 -18.868   0.654   2.068
  358   3HG2  VAL  44          3HG2      VAL  44 -18.912   1.415   3.656
  359    H    GLY  45           H        GLY  45 -19.979  -0.452   6.894
  360   1HA   GLY  45          1HA       GLY  45 -19.343  -2.229   8.128
  361   2HA   GLY  45          2HA       GLY  45 -20.476  -3.231   7.205
  362    H    ALA  46           H        ALA  46 -17.812  -1.463   5.611
  363    HA   ALA  46           HA       ALA  46 -16.762  -4.018   4.602
  364   1HB   ALA  46          1HB       ALA  46 -16.973  -2.174   3.027
  365   2HB   ALA  46          2HB       ALA  46 -15.980  -1.119   4.069
  366   3HB   ALA  46          3HB       ALA  46 -15.256  -2.538   3.286
  367    H    SER  47           H        SER  47 -14.884  -4.926   5.274
  368    HA   SER  47           HA       SER  47 -13.432  -3.886   7.606
  369   1HB   SER  47          2HB       SER  47 -12.835  -6.209   5.711
  370   2HB   SER  47          3HB       SER  47 -12.056  -5.899   7.275
  371    HG   SER  47           HG       SER  47 -13.736  -7.456   7.426
  372    H    TYR  48           H        TYR  48 -11.330  -2.901   7.472
  373    HA   TYR  48           HA       TYR  48  -9.973  -2.714   4.905
  374   1HB   TYR  48          2HB       TYR  48  -9.905  -0.244   4.907
  375   2HB   TYR  48          3HB       TYR  48 -11.524  -0.861   4.647
  376    HD1  TYR  48           1HD      TYR  48  -9.350   1.003   6.969
  377    HD2  TYR  48           2HD      TYR  48 -13.314  -0.515   6.262
  378    HE1  TYR  48           1HE      TYR  48 -10.223   2.406   8.820
  379    HE2  TYR  48           2HE      TYR  48 -14.211   0.922   8.078
  380    HH   TYR  48           HH       TYR  48 -12.049   2.975  10.106
  381    H    LYS  49           H        LYS  49  -7.834  -2.100   5.094
  382    HA   LYS  49           HA       LYS  49  -6.646  -2.151   7.813
  383   1HB   LYS  49          2HB       LYS  49  -5.699  -3.571   6.042
  384   2HB   LYS  49          3HB       LYS  49  -5.439  -2.158   5.007
  385   1HG   LYS  49          2HG       LYS  49  -3.759  -1.288   6.573
  386   2HG   LYS  49          3HG       LYS  49  -4.112  -2.610   7.711
  387   1HD   LYS  49          2HD       LYS  49  -3.334  -4.255   5.989
  388   2HD   LYS  49          3HD       LYS  49  -3.017  -2.917   4.878
  389   1HE   LYS  49          2HE       LYS  49  -0.920  -3.560   5.844
  390   2HE   LYS  49          3HE       LYS  49  -1.359  -1.976   6.488
  391   1HZ   LYS  49          1HZ       LYS  49  -2.067  -3.080   8.538
  392   2HZ   LYS  49          2HZ       LYS  49  -1.703  -4.555   7.927
  393   3HZ   LYS  49          3HZ       LYS  49  -0.523  -3.470   8.209
  394    H    VAL  50           H        VAL  50  -5.218  -0.385   8.430
  395    HA   VAL  50           HA       VAL  50  -5.647   2.191   7.004
  396    HB   VAL  50           HB       VAL  50  -5.691   1.675  10.017
  397   1HG1  VAL  50          1HG1      VAL  50  -6.226   4.100  10.203
  398   2HG1  VAL  50          2HG1      VAL  50  -4.611   3.815   9.569
  399   3HG1  VAL  50          3HG1      VAL  50  -5.915   4.285   8.456
  400   1HG2  VAL  50          1HG2      VAL  50  -8.005   2.572   9.905
  401   2HG2  VAL  50          2HG2      VAL  50  -7.886   2.621   8.129
  402   3HG2  VAL  50          3HG2      VAL  50  -7.840   1.069   9.002
  403    H    VAL  51           H        VAL  51  -3.793   3.460   6.924
  404    HA   VAL  51           HA       VAL  51  -1.410   2.568   8.441
  405    HB   VAL  51           HB       VAL  51  -1.173   3.574   5.585
  406   1HG1  VAL  51          1HG1      VAL  51   0.749   3.730   7.288
  407   2HG1  VAL  51          2HG1      VAL  51   0.786   1.961   7.273
  408   3HG1  VAL  51          3HG1      VAL  51   1.104   2.883   5.781
  409   1HG2  VAL  51          1HG2      VAL  51  -0.642   1.266   4.873
  410   2HG2  VAL  51          2HG2      VAL  51  -1.188   0.657   6.453
  411   3HG2  VAL  51          3HG2      VAL  51  -2.329   1.443   5.336
  412    H    GLU  52           H        GLU  52  -1.744   4.176   9.951
  413    HA   GLU  52           HA       GLU  52  -2.308   6.944   9.105
  414   1HB   GLU  52          2HB       GLU  52  -2.210   5.444  11.714
  415   2HB   GLU  52          3HB       GLU  52  -1.957   7.203  11.725
  416   1HG   GLU  52          2HG       GLU  52  -4.039   7.663  10.699
  417   2HG   GLU  52          3HG       GLU  52  -4.276   5.999  10.202
  418    H    LEU  53           H        LEU  53  -0.592   7.525   7.911
  419    HA   LEU  53           HA       LEU  53   2.050   6.685   8.206
  420   1HB   LEU  53          2HB       LEU  53   0.703   8.976   6.777
  421   2HB   LEU  53          3HB       LEU  53   2.453   9.019   6.943
  422    HG   LEU  53           HG       LEU  53   2.692   6.848   5.848
  423   1HD1  LEU  53          1HD1      LEU  53  -0.317   6.970   5.386
  424   2HD1  LEU  53          2HD1      LEU  53   0.820   5.827   4.626
  425   3HD1  LEU  53          3HD1      LEU  53   0.553   5.776   6.368
  426   1HD2  LEU  53          1HD2      LEU  53   0.999   8.821   4.248
  427   2HD2  LEU  53          2HD2      LEU  53   2.749   8.919   4.534
  428   3HD2  LEU  53          3HD2      LEU  53   2.092   7.589   3.574
  429    H    ASP  54           H        ASP  54   0.451   9.332   9.934
  430    HA   ASP  54           HA       ASP  54   2.755  10.823  10.630
  431   1HB   ASP  54          2HB       ASP  54   0.412  11.612  10.931
  432   2HB   ASP  54          3HB       ASP  54   0.174  10.417  12.203
  433    H    GLU  55           H        GLU  55   1.632   7.732  11.882
  434    HA   GLU  55           HA       GLU  55   3.645   7.876  14.093
  435   1HB   GLU  55          2HB       GLU  55   1.113   6.201  13.874
  436   2HB   GLU  55          3HB       GLU  55   2.306   6.107  15.178
  437   1HG   GLU  55          2HG       GLU  55   1.896   8.573  15.622
  438   2HG   GLU  55          3HG       GLU  55   0.528   8.480  14.508
  439    H    LEU  56           H        LEU  56   3.397   6.782  10.992
  440    HA   LEU  56           HA       LEU  56   4.509   4.092  11.359
  441   1HB   LEU  56          2HB       LEU  56   3.085   4.683   9.391
  442   2HB   LEU  56          3HB       LEU  56   4.289   5.880   8.903
  443    HG   LEU  56           HG       LEU  56   5.972   4.049   8.611
  444   1HD1  LEU  56          1HD1      LEU  56   5.169   1.697   8.488
  445   2HD1  LEU  56          2HD1      LEU  56   5.078   2.319  10.134
  446   3HD1  LEU  56          3HD1      LEU  56   3.602   2.200   9.153
  447   1HD2  LEU  56          1HD2      LEU  56   4.654   4.895   6.733
  448   2HD2  LEU  56          2HD2      LEU  56   5.006   3.170   6.545
  449   3HD2  LEU  56          3HD2      LEU  56   3.385   3.692   7.055
  450    H    SER  57           H        SER  57   6.703   3.599  11.282
  451    HA   SER  57           HA       SER  57   8.552   5.399  12.186
  452   1HB   SER  57          2HB       SER  57   9.199   2.893  10.600
  453   2HB   SER  57          3HB       SER  57  10.109   3.597  11.949
  454    HG   SER  57           HG       SER  57   8.837   1.811  12.610
  455    H    ASP  58           H        ASP  58   7.593   5.089   8.844
  456    HA   ASP  58           HA       ASP  58   9.836   6.852   8.004
  457   1HB   ASP  58          2HB       ASP  58  10.254   4.423   7.451
  458   2HB   ASP  58          3HB       ASP  58   8.798   4.449   6.453
  459    H    GLY  59           H        GLY  59   6.991   7.280   8.763
  460   1HA   GLY  59          1HA       GLY  59   5.025   7.293   6.941
  461   2HA   GLY  59          2HA       GLY  59   5.260   8.585   8.126
  462    H    SER  60           H        SER  60   7.189  10.192   7.290
  463    HA   SER  60           HA       SER  60   6.050  11.678   5.266
  464   1HB   SER  60          2HB       SER  60   9.018  11.662   5.911
  465   2HB   SER  60          3HB       SER  60   8.040  13.028   5.346
  466    HG   SER  60           HG       SER  60   6.968  13.033   7.331
  467    H    GLN  61           H        GLN  61   8.739   9.310   4.879
  468    HA   GLN  61           HA       GLN  61   9.021   9.928   2.038
  469   1HB   GLN  61          2HB       GLN  61  10.101   7.560   3.606
  470   2HB   GLN  61          3HB       GLN  61  10.563   8.045   1.972
  471   1HG   GLN  61          2HG       GLN  61  11.279  10.296   2.990
  472   2HG   GLN  61          3HG       GLN  61  11.116   9.525   4.573
  473   1HE2  GLN  61          2HE2      GLN  61  12.340   7.265   4.706
  474   2HE2  GLN  61          1HE2      GLN  61  13.943   7.228   3.952
  475    H    LEU  62           H        LEU  62   7.220   7.575   4.006
  476    HA   LEU  62           HA       LEU  62   6.261   5.936   1.885
  477   1HB   LEU  62          2HB       LEU  62   6.029   5.872   4.575
  478   2HB   LEU  62          3HB       LEU  62   4.506   6.660   4.224
  479    HG   LEU  62           HG       LEU  62   4.201   4.304   4.517
  480   1HD1  LEU  62          1HD1      LEU  62   2.769   5.377   2.820
  481   2HD1  LEU  62          2HD1      LEU  62   3.911   4.849   1.559
  482   3HD1  LEU  62          3HD1      LEU  62   3.023   3.652   2.519
  483   1HD2  LEU  62          1HD2      LEU  62   6.469   3.526   3.935
  484   2HD2  LEU  62          2HD2      LEU  62   5.203   2.583   3.129
  485   3HD2  LEU  62          3HD2      LEU  62   6.116   3.791   2.214
  486    H    GLN  63           H        GLN  63   5.045   9.051   3.244
  487    HA   GLN  63           HA       GLN  63   2.851   9.283   1.473
  488   1HB   GLN  63          2HB       GLN  63   3.522  10.735   3.598
  489   2HB   GLN  63          3HB       GLN  63   4.366  11.732   2.416
  490   1HG   GLN  63          2HG       GLN  63   2.211  11.840   1.084
  491   2HG   GLN  63          3HG       GLN  63   1.400  10.996   2.402
  492   1HE2  GLN  63          2HE2      GLN  63   0.972  13.721   1.265
  493   2HE2  GLN  63          1HE2      GLN  63   1.178  14.846   2.596
  494    H    SER  64           H        SER  64   6.271  10.486   1.133
  495    HA   SER  64           HA       SER  64   5.948  11.662  -1.395
  496   1HB   SER  64          2HB       SER  64   8.399  10.166  -0.379
  497   2HB   SER  64          3HB       SER  64   8.353  11.402  -1.647
  498    HG   SER  64           HG       SER  64   8.969  12.319   0.331
  499    H    ALA  65           H        ALA  65   6.584   8.194  -0.599
  500    HA   ALA  65           HA       ALA  65   6.847   7.358  -3.317
  501   1HB   ALA  65          1HB       ALA  65   6.428   5.113  -2.463
  502   2HB   ALA  65          2HB       ALA  65   7.598   5.969  -1.451
  503   3HB   ALA  65          3HB       ALA  65   5.910   5.769  -0.894
  504    H    LEU  66           H        LEU  66   3.949   7.502  -1.146
  505    HA   LEU  66           HA       LEU  66   2.101   6.542  -3.088
  506   1HB   LEU  66          2HB       LEU  66   1.865   8.219  -0.601
  507   2HB   LEU  66          3HB       LEU  66   0.559   8.358  -1.756
  508    HG   LEU  66           HG       LEU  66  -0.023   6.774  -0.070
  509   1HD1  LEU  66          1HD1      LEU  66   0.490   5.174  -2.609
  510   2HD1  LEU  66          2HD1      LEU  66  -0.748   4.911  -1.374
  511   3HD1  LEU  66          3HD1      LEU  66  -0.821   6.350  -2.406
  512   1HD2  LEU  66          1HD2      LEU  66   2.193   6.044   0.589
  513   2HD2  LEU  66          2HD2      LEU  66   1.150   4.652   0.260
  514   3HD2  LEU  66          3HD2      LEU  66   2.394   5.134  -0.921
  515    H    ALA  67           H        ALA  67   3.174   9.943  -2.446
  516    HA   ALA  67           HA       ALA  67   1.602  11.118  -4.425
  517   1HB   ALA  67          1HB       ALA  67   3.156  12.995  -4.320
  518   2HB   ALA  67          2HB       ALA  67   3.034  12.312  -2.683
  519   3HB   ALA  67          3HB       ALA  67   4.447  11.964  -3.685
  520    H    HIS  68           H        HIS  68   4.928   9.883  -4.781
  521    HA   HIS  68           HA       HIS  68   5.263  10.407  -7.534
  522   1HB   HIS  68          2HB       HIS  68   7.211   9.898  -6.396
  523   2HB   HIS  68          3HB       HIS  68   6.466   8.628  -5.438
  524    HD1  HIS  68           1HD      HIS  68   8.194   9.021  -8.846
  525    HD2  HIS  68           2HD      HIS  68   6.370   6.185  -6.321
  526    HE1  HIS  68           1HE      HIS  68   8.791   6.734  -9.798
  527    H    TRP  69           H        TRP  69   3.885   7.531  -5.887
  528    HA   TRP  69           HA       TRP  69   3.747   5.973  -8.291
  529   1HB   TRP  69          2HB       TRP  69   4.149   5.098  -6.056
  530   2HB   TRP  69          3HB       TRP  69   2.584   5.665  -5.498
  531    HD1  TRP  69           HD1      TRP  69   2.773   3.730  -8.804
  532    HE1  TRP  69           HE1      TRP  69   1.665   1.479  -8.525
  533    HE3  TRP  69           HE3      TRP  69   2.159   3.783  -3.718
  534    HZ2  TRP  69           HZ2      TRP  69   0.548  -0.123  -6.358
  535    HZ3  TRP  69           HZ3      TRP  69   1.083   1.858  -2.571
  536    HH2  TRP  69           HH2      TRP  69   0.263  -0.080  -3.885
  537    H    THR  70           H        THR  70   1.301   7.818  -6.413
  538    HA   THR  70           HA       THR  70  -0.809   6.782  -8.236
  539    HB   THR  70           HB       THR  70  -2.333   7.251  -6.450
  540    HG1  THR  70           1HG      THR  70  -0.126   8.288  -4.979
  541   1HG2  THR  70          1HG2      THR  70  -0.927   5.138  -6.263
  542   2HG2  THR  70          2HG2      THR  70   0.115   6.000  -5.121
  543   3HG2  THR  70          3HG2      THR  70  -1.594   5.740  -4.733
  544    H    GLY  71           H        GLY  71   0.901   9.751  -7.590
  545   1HA   GLY  71          1HA       GLY  71   0.595  11.852  -8.447
  546   2HA   GLY  71          2HA       GLY  71  -0.835  11.307  -9.337
  547    H    ARG  72           H        ARG  72  -1.099  10.377  -6.031
  548    HA   ARG  72           HA       ARG  72  -2.395  12.936  -5.222
  549   1HB   ARG  72          2HB       ARG  72  -3.547  10.138  -4.929
  550   2HB   ARG  72          3HB       ARG  72  -4.038  11.521  -3.942
  551   1HG   ARG  72          2HG       ARG  72  -4.513  12.767  -6.153
  552   2HG   ARG  72          3HG       ARG  72  -4.321  11.198  -6.948
  553   1HD   ARG  72          2HD       ARG  72  -6.645  11.511  -6.577
  554   2HD   ARG  72          3HD       ARG  72  -6.117  10.295  -5.396
  555    HE   ARG  72           HE       ARG  72  -5.891  12.530  -3.921
  556   1HH1  ARG  72          1HH2      ARG  72  -8.636  11.495  -6.005
  557   2HH1  ARG  72          2HH2      ARG  72  -9.797  12.334  -5.002
  558   1HH2  ARG  72          1HH1      ARG  72  -7.582  13.667  -2.719
  559   2HH2  ARG  72          2HH1      ARG  72  -9.235  13.505  -3.289
  560    H    GLY  73           H        GLY  73  -0.339  13.375  -4.339
  561   1HA   GLY  73          1HA       GLY  73   0.688  11.867  -2.077
  562   2HA   GLY  73          2HA       GLY  73   1.088  13.536  -2.550
  563    H    THR  74           H        THR  74  -2.162  13.758  -2.528
  564    HA   THR  74           HA       THR  74  -2.451  14.938   0.063
  565    HB   THR  74           HB       THR  74  -4.939  14.761  -0.788
  566    HG1  THR  74           1HG      THR  74  -4.922  14.602  -3.131
  567   1HG2  THR  74          1HG2      THR  74  -4.596  16.686  -2.281
  568   2HG2  THR  74          2HG2      THR  74  -3.570  16.827  -0.848
  569   3HG2  THR  74          3HG2      THR  74  -2.858  16.319  -2.395
  570    H    VAL  75           H        VAL  75  -4.194  14.143   1.587
  571    HA   VAL  75           HA       VAL  75  -4.295  11.193   1.731
  572    HB   VAL  75           HB       VAL  75  -4.116  11.391   4.214
  573   1HG1  VAL  75          1HG1      VAL  75  -2.244  10.599   2.807
  574   2HG1  VAL  75          2HG1      VAL  75  -1.637  12.263   2.672
  575   3HG1  VAL  75          3HG1      VAL  75  -1.679  11.451   4.250
  576   1HG2  VAL  75          1HG2      VAL  75  -4.544  13.839   4.453
  577   2HG2  VAL  75          2HG2      VAL  75  -3.059  13.319   5.238
  578   3HG2  VAL  75          3HG2      VAL  75  -2.972  14.172   3.688
  579    HA   PRO  76           HA       PRO  76  -5.435   9.723   3.164
  580   1HB   PRO  76          2HB       PRO  76  -7.607   8.130   2.775
  581   2HB   PRO  76          3HB       PRO  76  -7.372   9.061   4.283
  582   1HG   PRO  76          2HG       PRO  76  -9.040   9.810   1.866
  583   2HG   PRO  76          3HG       PRO  76  -9.511   9.861   3.596
  584   1HD   PRO  76          2HD       PRO  76  -8.629  12.073   2.226
  585   2HD   PRO  76          3HD       PRO  76  -8.291  11.834   3.963
  586    H    ASN  77           H        ASN  77  -5.165   7.847   1.732
  587    HA   ASN  77           HA       ASN  77  -5.828   8.257  -1.146
  588   1HB   ASN  77          2HB       ASN  77  -3.430   8.877  -0.635
  589   2HB   ASN  77          3HB       ASN  77  -3.162   7.231  -0.068
  590   1HD2  ASN  77          2HD2      ASN  77  -2.494   9.122  -2.644
  591   2HD2  ASN  77          1HD2      ASN  77  -2.514   7.930  -3.890
  592    H    VAL  78           H        VAL  78  -6.951   6.450  -1.826
  593    HA   VAL  78           HA       VAL  78  -7.104   4.204   0.135
  594    HB   VAL  78           HB       VAL  78  -9.373   5.333  -1.541
  595   1HG1  VAL  78          1HG1      VAL  78  -9.771   3.019  -0.856
  596   2HG1  VAL  78          2HG1      VAL  78  -9.292   3.388   0.814
  597   3HG1  VAL  78          3HG1      VAL  78 -10.777   4.075   0.134
  598   1HG2  VAL  78          1HG2      VAL  78  -8.712   5.904   1.383
  599   2HG2  VAL  78          2HG2      VAL  78  -8.745   7.089   0.056
  600   3HG2  VAL  78          3HG2      VAL  78 -10.239   6.323   0.573
  601    H    PHE  79           H        PHE  79  -7.199   2.180  -0.558
  602    HA   PHE  79           HA       PHE  79  -7.134   1.574  -3.468
  603   1HB   PHE  79          2HB       PHE  79  -5.465   0.424  -1.187
  604   2HB   PHE  79          3HB       PHE  79  -5.730  -0.440  -2.684
  605    HD1  PHE  79           1HD      PHE  79  -4.063  -0.346  -4.286
  606    HD2  PHE  79           2HD      PHE  79  -4.501   2.973  -1.562
  607    HE1  PHE  79           1HE      PHE  79  -2.088   0.752  -5.296
  608    HE2  PHE  79           2HE      PHE  79  -2.524   4.051  -2.570
  609    HZ   PHE  79           HZ       PHE  79  -1.308   2.950  -4.438
  610    H    ILE  80           H        ILE  80  -8.337  -0.253  -4.016
  611    HA   ILE  80           HA       ILE  80  -9.600  -1.864  -1.903
  612    HB   ILE  80           HB       ILE  80 -11.189  -0.535  -4.142
  613   1HG1  ILE  80          2HG1      ILE  80 -11.566  -0.296  -1.131
  614   2HG1  ILE  80          3HG1      ILE  80 -10.772   0.922  -2.118
  615   1HG2  ILE  80          1HG2      ILE  80 -11.953  -2.715  -2.158
  616   2HG2  ILE  80          2HG2      ILE  80 -13.140  -1.802  -3.099
  617   3HG2  ILE  80          3HG2      ILE  80 -11.959  -2.790  -3.935
  618   1HD1  ILE  80          1HD1      ILE  80 -12.875   1.247  -3.411
  619   2HD1  ILE  80          2HD1      ILE  80 -13.700   0.146  -2.290
  620   3HD1  ILE  80          3HD1      ILE  80 -12.993   1.649  -1.690
  621    H    GLY  81           H        GLY  81  -9.683  -3.994  -2.577
  622   1HA   GLY  81          1HA       GLY  81  -9.140  -5.862  -3.779
  623   2HA   GLY  81          2HA       GLY  81  -9.584  -4.967  -5.244
  624    H    GLY  82           H        GLY  82  -6.988  -3.898  -3.054
  625   1HA   GLY  82          1HA       GLY  82  -4.747  -3.643  -3.340
  626   2HA   GLY  82          2HA       GLY  82  -4.769  -5.019  -4.451
  627    H    LYS  83           H        LYS  83  -6.820  -2.224  -5.229
  628    HA   LYS  83           HA       LYS  83  -4.826  -1.279  -7.238
  629   1HB   LYS  83          2HB       LYS  83  -6.627  -2.724  -8.211
  630   2HB   LYS  83          3HB       LYS  83  -7.842  -1.607  -7.571
  631   1HG   LYS  83          2HG       LYS  83  -6.918   0.213  -8.978
  632   2HG   LYS  83          3HG       LYS  83  -5.657  -0.884  -9.579
  633   1HD   LYS  83          2HD       LYS  83  -7.404  -2.344 -10.564
  634   2HD   LYS  83          3HD       LYS  83  -8.667  -1.255  -9.943
  635   1HE   LYS  83          2HE       LYS  83  -7.717   0.607 -11.288
  636   2HE   LYS  83          3HE       LYS  83  -6.458  -0.472 -11.903
  637   1HZ   LYS  83          1HZ       LYS  83  -8.200  -1.802 -12.947
  638   2HZ   LYS  83          2HZ       LYS  83  -9.366  -0.805 -12.379
  639   3HZ   LYS  83          3HZ       LYS  83  -8.282  -0.261 -13.466
  640    H    GLN  84           H        GLN  84  -4.665   0.929  -7.403
  641    HA   GLN  84           HA       GLN  84  -5.501   2.588  -5.241
  642   1HB   GLN  84          2HB       GLN  84  -3.516   2.744  -6.983
  643   2HB   GLN  84          3HB       GLN  84  -4.673   3.589  -7.998
  644   1HG   GLN  84          2HG       GLN  84  -3.700   4.383  -5.225
  645   2HG   GLN  84          3HG       GLN  84  -3.232   5.107  -6.758
  646   1HE2  GLN  84          2HE2      GLN  84  -4.811   5.949  -4.108
  647   2HE2  GLN  84          1HE2      GLN  84  -6.135   6.868  -4.755
  648    H    ILE  85           H        ILE  85  -7.404   3.786  -5.009
  649    HA   ILE  85           HA       ILE  85  -9.343   3.710  -7.294
  650    HB   ILE  85           HB       ILE  85  -9.864   4.030  -4.316
  651   1HG1  ILE  85          2HG1      ILE  85  -9.147   1.779  -4.660
  652   2HG1  ILE  85          3HG1      ILE  85 -10.879   1.791  -4.434
  653   1HG2  ILE  85          1HG2      ILE  85 -12.248   3.659  -4.942
  654   2HG2  ILE  85          2HG2      ILE  85 -11.593   5.159  -5.602
  655   3HG2  ILE  85          3HG2      ILE  85 -11.790   3.752  -6.661
  656   1HD1  ILE  85          1HD1      ILE  85 -10.297   0.179  -6.154
  657   2HD1  ILE  85          2HD1      ILE  85 -11.179   1.513  -6.920
  658   3HD1  ILE  85          3HD1      ILE  85  -9.415   1.393  -7.079
  659    H    GLY  86           H        GLY  86  -8.194   5.836  -4.581
  660   1HA   GLY  86          1HA       GLY  86  -7.750   8.156  -6.022
  661   2HA   GLY  86          2HA       GLY  86  -9.489   8.151  -5.707
  662    H    GLY  87           H        GLY  87  -9.682   9.673  -4.134
  663   1HA   GLY  87          1HA       GLY  87  -8.383   9.140  -1.501
  664   2HA   GLY  87          2HA       GLY  87  -8.454  10.778  -2.160
  665    H    CYS  88           H        CYS  88  -9.731  11.208  -0.181
  666    HA   CYS  88           HA       CYS  88 -12.069   9.886   0.566
  667   1HB   CYS  88          2HB       CYS  88 -10.839  11.587   1.934
  668   2HB   CYS  88          3HB       CYS  88 -11.476  12.867   0.883
  669    HG   CYS  88           HG       CYS  88 -12.590  11.482   3.442
  670    H    ASP  89           H        ASP  89 -11.801  12.736  -1.611
  671    HA   ASP  89           HA       ASP  89 -14.590  13.037  -2.001
  672   1HB   ASP  89          2HB       ASP  89 -14.023  14.493  -3.810
  673   2HB   ASP  89          3HB       ASP  89 -12.814  14.745  -2.555
  674    H    THR  90           H        THR  90 -12.206  10.925  -3.655
  675    HA   THR  90           HA       THR  90 -13.944  10.189  -5.785
  676    HB   THR  90           HB       THR  90 -11.772   8.427  -4.602
  677    HG1  THR  90           1HG      THR  90 -11.398  10.691  -6.266
  678   1HG2  THR  90          1HG2      THR  90 -12.993   7.465  -6.459
  679   2HG2  THR  90          2HG2      THR  90 -12.796   8.941  -7.425
  680   3HG2  THR  90          3HG2      THR  90 -11.384   7.935  -7.031
  681    H    VAL  91           H        VAL  91 -13.223   8.573  -2.583
  682    HA   VAL  91           HA       VAL  91 -15.099   6.471  -3.238
  683    HB   VAL  91           HB       VAL  91 -14.866   5.749  -0.892
  684   1HG1  VAL  91          1HG1      VAL  91 -12.555   5.003  -1.139
  685   2HG1  VAL  91          2HG1      VAL  91 -13.356   4.968  -2.713
  686   3HG1  VAL  91          3HG1      VAL  91 -12.219   6.279  -2.328
  687   1HG2  VAL  91          1HG2      VAL  91 -13.197   6.705   0.569
  688   2HG2  VAL  91          2HG2      VAL  91 -12.817   7.982  -0.597
  689   3HG2  VAL  91          3HG2      VAL  91 -14.403   7.948   0.203
  690    H    VAL  92           H        VAL  92 -15.456   9.611  -1.504
  691    HA   VAL  92           HA       VAL  92 -18.112   9.039  -0.594
  692    HB   VAL  92           HB       VAL  92 -16.632  11.627  -1.216
  693   1HG1  VAL  92          1HG1      VAL  92 -19.405  11.317   0.023
  694   2HG1  VAL  92          2HG1      VAL  92 -18.440  12.812   0.024
  695   3HG1  VAL  92          3HG1      VAL  92 -19.012  12.139  -1.503
  696   1HG2  VAL  92          1HG2      VAL  92 -15.884  10.272   0.784
  697   2HG2  VAL  92          2HG2      VAL  92 -16.544  11.849   1.224
  698   3HG2  VAL  92          3HG2      VAL  92 -17.527  10.384   1.433
  699    H    GLU  93           H        GLU  93 -16.888  10.568  -3.692
  700    HA   GLU  93           HA       GLU  93 -19.412  10.940  -4.880
  701   1HB   GLU  93          2HB       GLU  93 -17.498  11.930  -5.893
  702   2HB   GLU  93          3HB       GLU  93 -16.635  10.399  -5.972
  703   1HG   GLU  93          2HG       GLU  93 -17.335  11.088  -8.178
  704   2HG   GLU  93          3HG       GLU  93 -18.051   9.553  -7.712
  705    H    LYS  94           H        LYS  94 -17.250   8.053  -5.056
  706    HA   LYS  94           HA       LYS  94 -19.010   6.473  -6.656
  707   1HB   LYS  94          2HB       LYS  94 -16.840   5.695  -4.689
  708   2HB   LYS  94          3HB       LYS  94 -17.695   4.544  -5.733
  709   1HG   LYS  94          2HG       LYS  94 -16.885   5.631  -7.749
  710   2HG   LYS  94          3HG       LYS  94 -16.214   6.968  -6.835
  711   1HD   LYS  94          2HD       LYS  94 -14.342   5.653  -7.361
  712   2HD   LYS  94          3HD       LYS  94 -14.674   5.326  -5.668
  713   1HE   LYS  94          2HE       LYS  94 -14.205   3.214  -6.562
  714   2HE   LYS  94          3HE       LYS  94 -15.969   3.231  -6.480
  715   1HZ   LYS  94          1HZ       LYS  94 -14.362   3.778  -8.924
  716   2HZ   LYS  94          2HZ       LYS  94 -15.156   2.390  -8.616
  717   3HZ   LYS  94          3HZ       LYS  94 -16.001   3.756  -8.875
  718    H    HIS  95           H        HIS  95 -19.011   7.047  -3.102
  719    HA   HIS  95           HA       HIS  95 -21.005   5.006  -2.639
  720   1HB   HIS  95          2HB       HIS  95 -19.478   5.903  -0.884
  721   2HB   HIS  95          3HB       HIS  95 -20.329   7.444  -0.951
  722    HD1  HIS  95           1HD      HIS  95 -21.468   3.723  -0.403
  723    HD2  HIS  95           2HD      HIS  95 -22.049   7.663   0.960
  724    HE1  HIS  95           1HE      HIS  95 -23.180   3.588   1.470
  725    H    GLN  96           H        GLN  96 -21.174   8.570  -3.284
  726    HA   GLN  96           HA       GLN  96 -23.945   8.875  -2.883
  727   1HB   GLN  96          2HB       GLN  96 -22.159  10.313  -4.902
  728   2HB   GLN  96          3HB       GLN  96 -23.803  10.783  -4.489
  729   1HG   GLN  96          2HG       GLN  96 -23.097  11.111  -2.111
  730   2HG   GLN  96          3HG       GLN  96 -21.439  10.748  -2.591
  731   1HE2  GLN  96          2HE2      GLN  96 -24.115  13.090  -3.094
  732   2HE2  GLN  96          1HE2      GLN  96 -23.083  14.393  -3.621
  733    H    ARG  97           H        ARG  97 -22.206   7.922  -5.884
  734    HA   ARG  97           HA       ARG  97 -24.710   7.569  -7.348
  735   1HB   ARG  97          2HB       ARG  97 -23.298   6.868  -9.206
  736   2HB   ARG  97          3HB       ARG  97 -22.674   8.353  -8.481
  737   1HG   ARG  97          2HG       ARG  97 -20.940   7.121  -7.310
  738   2HG   ARG  97          3HG       ARG  97 -21.640   5.584  -7.762
  739   1HD   ARG  97          2HD       ARG  97 -19.735   5.919  -9.103
  740   2HD   ARG  97          3HD       ARG  97 -21.149   6.103 -10.161
  741    HE   ARG  97           HE       ARG  97 -20.382   8.678  -9.208
  742   1HH1  ARG  97          1HH2      ARG  97 -18.991   6.058 -11.217
  743   2HH1  ARG  97          2HH2      ARG  97 -18.057   7.158 -12.183
  744   1HH2  ARG  97          1HH1      ARG  97 -19.203  10.037 -10.376
  745   2HH2  ARG  97          2HH1      ARG  97 -18.164   9.542 -11.700
  746    H    ASN  98           H        ASN  98 -23.467   5.645  -4.951
  747    HA   ASN  98           HA       ASN  98 -23.489   3.513  -4.368
  748   1HB   ASN  98          2HB       ASN  98 -25.921   3.820  -4.507
  749   2HB   ASN  98          3HB       ASN  98 -25.898   3.249  -6.180
  750   1HD2  ASN  98          2HD2      ASN  98 -27.191   1.360  -5.772
  751   2HD2  ASN  98          1HD2      ASN  98 -26.598   0.030  -4.811
  752    H    GLU  99           H        GLU  99 -21.490   3.884  -5.884
  753    HA   GLU  99           HA       GLU  99 -21.238   1.470  -7.632
  754   1HB   GLU  99          2HB       GLU  99 -21.037   3.677  -8.767
  755   2HB   GLU  99          3HB       GLU  99 -19.678   4.068  -7.697
  756   1HG   GLU  99          2HG       GLU  99 -18.477   2.056  -8.691
  757   2HG   GLU  99          3HG       GLU  99 -19.813   1.906  -9.838
  758    H    LEU 100           H        LEU 100 -20.095   3.256  -4.803
  759    HA   LEU 100           HA       LEU 100 -17.552   1.928  -4.530
  760   1HB   LEU 100          2HB       LEU 100 -18.158   4.081  -3.361
  761   2HB   LEU 100          3HB       LEU 100 -19.327   3.195  -2.386
  762    HG   LEU 100           HG       LEU 100 -17.405   1.800  -1.498
  763   1HD1  LEU 100          1HD1      LEU 100 -15.114   2.770  -1.731
  764   2HD1  LEU 100          2HD1      LEU 100 -15.731   2.116  -3.249
  765   3HD1  LEU 100          3HD1      LEU 100 -15.730   3.876  -2.976
  766   1HD2  LEU 100          1HD2      LEU 100 -17.227   4.794  -1.035
  767   2HD2  LEU 100          2HD2      LEU 100 -18.329   3.670  -0.211
  768   3HD2  LEU 100          3HD2      LEU 100 -16.584   3.530   0.036
  769    H    LEU 101           H        LEU 101 -20.844   1.316  -3.230
  770    HA   LEU 101           HA       LEU 101 -20.061  -0.865  -1.597
  771   1HB   LEU 101          2HB       LEU 101 -22.087   0.334  -1.166
  772   2HB   LEU 101          3HB       LEU 101 -22.754  -0.069  -2.732
  773    HG   LEU 101           HG       LEU 101 -22.808  -2.493  -2.079
  774   1HD1  LEU 101          1HD1      LEU 101 -21.885  -1.390   0.615
  775   2HD1  LEU 101          2HD1      LEU 101 -22.519  -3.030   0.358
  776   3HD1  LEU 101          3HD1      LEU 101 -21.002  -2.540  -0.409
  777   1HD2  LEU 101          1HD2      LEU 101 -24.759  -1.010  -1.796
  778   2HD2  LEU 101          2HD2      LEU 101 -24.703  -2.246  -0.526
  779   3HD2  LEU 101          3HD2      LEU 101 -24.207  -0.574  -0.167
  780    HA   PRO 102           HA       PRO 102 -21.206  -3.735  -5.441
  781   1HB   PRO 102          2HB       PRO 102 -20.338  -1.628  -7.454
  782   2HB   PRO 102          3HB       PRO 102 -21.350  -3.077  -7.725
  783   1HG   PRO 102          2HG       PRO 102 -22.503  -0.654  -7.365
  784   2HG   PRO 102          3HG       PRO 102 -23.187  -2.089  -6.542
  785   1HD   PRO 102          2HD       PRO 102 -21.511   0.103  -5.370
  786   2HD   PRO 102          3HD       PRO 102 -22.845  -0.846  -4.661
  787    H    LEU 103           H        LEU 103 -18.578  -1.233  -5.764
  788    HA   LEU 103           HA       LEU 103 -16.601  -3.075  -6.641
  789   1HB   LEU 103          2HB       LEU 103 -16.404  -0.657  -6.945
  790   2HB   LEU 103          3HB       LEU 103 -16.368  -0.408  -5.199
  791    HG   LEU 103           HG       LEU 103 -14.219  -1.616  -5.045
  792   1HD1  LEU 103          1HD1      LEU 103 -14.359  -1.747  -8.089
  793   2HD1  LEU 103          2HD1      LEU 103 -12.916  -2.093  -7.110
  794   3HD1  LEU 103          3HD1      LEU 103 -14.336  -3.129  -6.972
  795   1HD2  LEU 103          1HD2      LEU 103 -12.848   0.118  -6.002
  796   2HD2  LEU 103          2HD2      LEU 103 -14.150   0.612  -7.105
  797   3HD2  LEU 103          3HD2      LEU 103 -14.321   0.844  -5.347
  798    H    LEU 104           H        LEU 104 -17.508  -1.998  -3.331
  799    HA   LEU 104           HA       LEU 104 -15.381  -3.437  -2.028
  800   1HB   LEU 104          2HB       LEU 104 -18.058  -2.368  -1.061
  801   2HB   LEU 104          3HB       LEU 104 -16.896  -3.149   0.009
  802    HG   LEU 104           HG       LEU 104 -16.135  -0.713  -1.649
  803   1HD1  LEU 104          1HD1      LEU 104 -17.180  -0.825   1.209
  804   2HD1  LEU 104          2HD1      LEU 104 -16.530   0.611   0.392
  805   3HD1  LEU 104          3HD1      LEU 104 -18.030  -0.131  -0.186
  806   1HD2  LEU 104          1HD2      LEU 104 -14.937  -1.949   0.864
  807   2HD2  LEU 104          2HD2      LEU 104 -14.238  -2.043  -0.768
  808   3HD2  LEU 104          3HD2      LEU 104 -14.362  -0.484   0.049
  809    H    GLN 105           H        GLN 105 -18.729  -4.348  -2.951
  810    HA   GLN 105           HA       GLN 105 -18.663  -6.919  -1.655
  811   1HB   GLN 105          2HB       GLN 105 -20.301  -5.827  -3.984
  812   2HB   GLN 105          3HB       GLN 105 -20.497  -7.455  -3.326
  813   1HG   GLN 105          2HG       GLN 105 -20.880  -6.470  -1.066
  814   2HG   GLN 105          3HG       GLN 105 -20.827  -4.861  -1.784
  815   1HE2  GLN 105          2HE2      GLN 105 -23.070  -5.324  -0.414
  816   2HE2  GLN 105          1HE2      GLN 105 -24.413  -5.701  -1.462
  817    H    ASP 106           H        ASP 106 -17.828  -5.836  -4.949
  818    HA   ASP 106           HA       ASP 106 -17.006  -8.346  -6.001
  819   1HB   ASP 106          2HB       ASP 106 -17.349  -6.488  -7.443
  820   2HB   ASP 106          3HB       ASP 106 -16.205  -5.485  -6.567
  821    H    ALA 107           H        ALA 107 -15.176  -5.915  -4.081
  822    HA   ALA 107           HA       ALA 107 -12.746  -7.493  -3.995
  823   1HB   ALA 107          1HB       ALA 107 -12.018  -5.799  -2.372
  824   2HB   ALA 107          2HB       ALA 107 -12.780  -5.027  -3.774
  825   3HB   ALA 107          3HB       ALA 107 -13.674  -5.175  -2.241
  826    H    ALA 108           H        ALA 108 -15.703  -8.090  -2.598
  827    HA   ALA 108           HA       ALA 108 -16.575  -9.152  -0.876
  828   1HB   ALA 108          1HB       ALA 108 -13.908 -10.602  -0.678
  829   2HB   ALA 108          2HB       ALA 108 -15.455 -11.143  -0.007
  830   3HB   ALA 108          3HB       ALA 108 -15.252 -11.031  -1.765
  831    H    ALA 109           H        ALA 109 -14.955  -6.630  -0.325
  832    HA   ALA 109           HA       ALA 109 -13.732  -6.844   2.265
  833   1HB   ALA 109          1HB       ALA 109 -14.914  -4.433   0.812
  834   2HB   ALA 109          2HB       ALA 109 -13.779  -4.390   2.178
  835   3HB   ALA 109          3HB       ALA 109 -13.261  -5.050   0.606
  836    H    THR 110           H        THR 110 -17.062  -6.385   1.170
  837    HA   THR 110           HA       THR 110 -18.233  -5.390   3.588
  838    HB   THR 110           HB       THR 110 -20.295  -6.398   2.339
  839    HG1  THR 110           1HG      THR 110 -19.843  -7.529   0.576
  840   1HG2  THR 110          1HG2      THR 110 -20.327  -4.644   0.671
  841   2HG2  THR 110          2HG2      THR 110 -19.588  -3.994   2.143
  842   3HG2  THR 110          3HG2      THR 110 -18.568  -4.452   0.759
  843    H    ALA 111           H        ALA 111 -17.024  -8.546   2.684
  844    HA   ALA 111           HA       ALA 111 -17.387 -10.645   3.323
  845   1HB   ALA 111          1HB       ALA 111 -16.442  -9.783   5.440
  846   2HB   ALA 111          2HB       ALA 111 -18.088  -9.479   6.044
  847   3HB   ALA 111          3HB       ALA 111 -17.560 -11.136   5.697
  848    H    LYS 112           H        LYS 112 -19.585  -9.196   2.080
  849    HA   LYS 112           HA       LYS 112 -21.870 -10.962   2.641
  850   1HB   LYS 112          2HB       LYS 112 -21.994  -7.900   2.649
  851   2HB   LYS 112          3HB       LYS 112 -23.400  -8.952   2.509
  852   1HG   LYS 112          2HG       LYS 112 -23.030  -9.857   4.744
  853   2HG   LYS 112          3HG       LYS 112 -21.537  -8.914   4.922
  854   1HD   LYS 112          2HD       LYS 112 -22.812  -6.813   4.642
  855   2HD   LYS 112          3HD       LYS 112 -24.321  -7.726   4.542
  856   1HE   LYS 112          2HE       LYS 112 -22.402  -7.725   6.924
  857   2HE   LYS 112          3HE       LYS 112 -23.847  -6.719   6.799
  858   1HZ   LYS 112          1HZ       LYS 112 -24.295  -8.692   8.080
  859   2HZ   LYS 112          2HZ       LYS 112 -25.183  -8.743   6.719
  860   3HZ   LYS 112          3HZ       LYS 112 -23.847  -9.680   6.868
  861    H    ASN 113           H        ASN 113 -22.972 -11.293   0.689
  862    HA   ASN 113           HA       ASN 113 -22.824 -11.841  -1.493
  863   1HB   ASN 113          2HB       ASN 113 -24.374  -9.939  -1.544
  864   2HB   ASN 113          3HB       ASN 113 -23.015  -8.834  -1.795
  865   1HD2  ASN 113          2HD2      ASN 113 -23.316  -8.129  -3.948
  866   2HD2  ASN 113          1HD2      ASN 113 -23.313  -9.256  -5.300
  867    HA   PRO 114           HA       PRO 114 -18.313 -10.641  -1.723
  868   1HB   PRO 114          2HB       PRO 114 -17.057 -13.025  -1.285
  869   2HB   PRO 114          3HB       PRO 114 -17.760 -12.051   0.043
  870   1HG   PRO 114          2HG       PRO 114 -19.045 -14.386  -1.418
  871   2HG   PRO 114          3HG       PRO 114 -18.856 -14.163   0.354
  872   1HD   PRO 114          2HD       PRO 114 -21.154 -13.470  -0.933
  873   2HD   PRO 114          3HD       PRO 114 -20.502 -12.490   0.416
  874    H    ALA 115           H        ALA 115 -20.321 -12.673  -3.627
  875    HA   ALA 115           HA       ALA 115 -18.338 -13.705  -5.448
  876   1HB   ALA 115          1HB       ALA 115 -20.314 -14.367  -6.795
  877   2HB   ALA 115          2HB       ALA 115 -20.434 -14.884  -5.104
  878   3HB   ALA 115          3HB       ALA 115 -21.376 -13.488  -5.671
  879    H    GLN 116           H        GLN 116 -21.076 -11.561  -6.386
  880    HA   GLN 116           HA       GLN 116 -19.380  -9.573  -7.683
  881   1HB   GLN 116          2HB       GLN 116 -21.127 -11.564  -9.227
  882   2HB   GLN 116          3HB       GLN 116 -20.698  -9.993  -9.882
  883   1HG   GLN 116          2HG       GLN 116 -18.701 -12.184  -9.204
  884   2HG   GLN 116          3HG       GLN 116 -19.305 -11.777 -10.797
  885   1HE2  GLN 116          2HE2      GLN 116 -17.223 -10.691  -8.160
  886   2HE2  GLN 116          1HE2      GLN 116 -16.456  -9.349  -9.012
  887    H    LEU 117           H        LEU 117 -20.788  -7.849  -8.600
  888    HA   LEU 117           HA       LEU 117 -23.617  -7.888  -7.818
  889   1HB   LEU 117          2HB       LEU 117 -22.308  -6.712  -5.985
  890   2HB   LEU 117          3HB       LEU 117 -21.759  -5.552  -7.177
  891    HG   LEU 117           HG       LEU 117 -23.569  -4.689  -5.807
  892   1HD1  LEU 117          1HD1      LEU 117 -24.976  -3.719  -7.439
  893   2HD1  LEU 117          2HD1      LEU 117 -23.420  -3.978  -8.243
  894   3HD1  LEU 117          3HD1      LEU 117 -24.784  -5.070  -8.560
  895   1HD2  LEU 117          1HD2      LEU 117 -25.388  -6.837  -6.979
  896   2HD2  LEU 117          2HD2      LEU 117 -24.731  -6.830  -5.329
  897   3HD2  LEU 117          3HD2      LEU 117 -25.835  -5.551  -5.844
  Start of MODEL   10
    1   1H    MET   1           H1       MET   1  11.712  15.077  -2.780
    2   2H    MET   1           H2       MET   1  12.243  14.097  -3.973
    3   3H    MET   1           H3       MET   1  10.786  14.841  -4.105
    4    HA   MET   1           HA       MET   1   9.896  13.621  -2.263
    5   1HB   MET   1          2HB       MET   1  11.117  11.817  -4.395
    6   2HB   MET   1          3HB       MET   1   9.940  11.297  -3.191
    7   1HG   MET   1          2HG       MET   1   9.481  13.372  -5.355
    8   2HG   MET   1          3HG       MET   1   8.864  11.726  -5.306
    9   1HE   MET   1          1HE       MET   1   7.065  14.148  -5.957
   10   2HE   MET   1          2HE       MET   1   6.400  12.505  -5.801
   11   3HE   MET   1          3HE       MET   1   5.627  13.864  -4.956
   12    H    ALA   2           H        ALA   2  12.669  11.435  -3.014
   13    HA   ALA   2           HA       ALA   2  13.986  11.878  -0.476
   14   1HB   ALA   2          1HB       ALA   2  12.149  10.347   0.240
   15   2HB   ALA   2          2HB       ALA   2  12.584   9.214  -1.059
   16   3HB   ALA   2          3HB       ALA   2  13.714   9.517   0.271
   17    H    SER   3           H        SER   3  15.892  10.181  -0.427
   18    HA   SER   3           HA       SER   3  17.439  10.120  -2.769
   19   1HB   SER   3          2HB       SER   3  17.506   7.928  -0.683
   20   2HB   SER   3          3HB       SER   3  18.861   8.695  -1.515
   21    HG   SER   3           HG       SER   3  17.888   9.184   0.856
   22    H    LYS   4           H        LYS   4  17.513   8.615  -4.535
   23    HA   LYS   4           HA       LYS   4  15.084   7.465  -5.192
   24   1HB   LYS   4          2HB       LYS   4  16.154   6.456  -7.113
   25   2HB   LYS   4          3HB       LYS   4  16.722   8.101  -6.855
   26   1HG   LYS   4          2HG       LYS   4  18.821   7.194  -5.826
   27   2HG   LYS   4          3HG       LYS   4  18.248   5.547  -6.162
   28   1HD   LYS   4          2HD       LYS   4  18.136   6.083  -8.582
   29   2HD   LYS   4          3HD       LYS   4  18.766   7.701  -8.265
   30   1HE   LYS   4          2HE       LYS   4  20.216   5.089  -7.614
   31   2HE   LYS   4          3HE       LYS   4  20.465   6.030  -9.084
   32   1HZ   LYS   4          1HZ       LYS   4  22.142   6.544  -7.459
   33   2HZ   LYS   4          2HZ       LYS   4  21.240   7.874  -7.712
   34   3HZ   LYS   4          3HZ       LYS   4  21.045   6.994  -6.344
   35    H    GLN   5           H        GLN   5  17.801   5.743  -3.625
   36    HA   GLN   5           HA       GLN   5  16.609   3.146  -3.866
   37   1HB   GLN   5          2HB       GLN   5  19.019   3.620  -3.375
   38   2HB   GLN   5          3HB       GLN   5  18.563   4.176  -1.757
   39   1HG   GLN   5          2HG       GLN   5  17.628   1.911  -1.269
   40   2HG   GLN   5          3HG       GLN   5  18.102   1.371  -2.879
   41   1HE2  GLN   5          2HE2      GLN   5  19.059   1.298   0.323
   42   2HE2  GLN   5          1HE2      GLN   5  20.777   1.089   0.104
   43    H    GLU   6           H        GLU   6  16.357   5.741  -1.393
   44    HA   GLU   6           HA       GLU   6  14.839   4.141   0.483
   45   1HB   GLU   6          2HB       GLU   6  15.175   7.163   0.212
   46   2HB   GLU   6          3HB       GLU   6  14.357   6.338   1.542
   47   1HG   GLU   6          2HG       GLU   6  16.462   5.134   2.095
   48   2HG   GLU   6          3HG       GLU   6  17.295   5.997   0.800
   49    H    LEU   7           H        LEU   7  14.039   6.437  -2.152
   50    HA   LEU   7           HA       LEU   7  11.235   6.488  -1.711
   51   1HB   LEU   7          2HB       LEU   7  12.531   8.083  -3.158
   52   2HB   LEU   7          3HB       LEU   7  12.785   6.785  -4.322
   53    HG   LEU   7           HG       LEU   7  10.325   6.626  -4.696
   54   1HD1  LEU   7          1HD1      LEU   7  10.216   8.960  -2.731
   55   2HD1  LEU   7          2HD1      LEU   7   8.892   8.532  -3.837
   56   3HD1  LEU   7          3HD1      LEU   7   9.397   7.392  -2.588
   57   1HD2  LEU   7          1HD2      LEU   7  10.099   8.754  -5.916
   58   2HD2  LEU   7          2HD2      LEU   7  11.486   9.423  -5.023
   59   3HD2  LEU   7          3HD2      LEU   7  11.709   8.055  -6.131
   60    H    ASP   8           H        ASP   8  13.306   4.322  -3.717
   61    HA   ASP   8           HA       ASP   8  11.159   2.755  -4.773
   62   1HB   ASP   8          2HB       ASP   8  13.367   2.740  -5.788
   63   2HB   ASP   8          3HB       ASP   8  14.102   2.139  -4.300
   64    H    ALA   9           H        ALA   9  13.164   2.375  -1.791
   65    HA   ALA   9           HA       ALA   9  11.953  -0.089  -1.007
   66   1HB   ALA   9          1HB       ALA   9  13.184   2.120   0.723
   67   2HB   ALA   9          2HB       ALA   9  12.860   0.452   1.236
   68   3HB   ALA   9          3HB       ALA   9  14.069   0.771  -0.025
   69    H    ALA  10           H        ALA  10  11.129   3.329  -0.253
   70    HA   ALA  10           HA       ALA  10   8.896   2.768   1.412
   71   1HB   ALA  10          1HB       ALA  10   8.295   5.139   0.921
   72   2HB   ALA  10          2HB       ALA  10   9.987   4.950   1.400
   73   3HB   ALA  10          3HB       ALA  10   9.572   5.195  -0.308
   74    H    LEU  11           H        LEU  11   9.122   3.225  -2.168
   75    HA   LEU  11           HA       LEU  11   6.364   2.949  -2.781
   76   1HB   LEU  11          2HB       LEU  11   7.965   3.625  -4.482
   77   2HB   LEU  11          3HB       LEU  11   8.893   2.154  -4.259
   78    HG   LEU  11           HG       LEU  11   6.897   0.818  -5.125
   79   1HD1  LEU  11          1HD1      LEU  11   5.944   3.593  -5.914
   80   2HD1  LEU  11          2HD1      LEU  11   5.245   2.068  -6.481
   81   3HD1  LEU  11          3HD1      LEU  11   5.133   2.497  -4.769
   82   1HD2  LEU  11          1HD2      LEU  11   8.241   2.820  -6.953
   83   2HD2  LEU  11          2HD2      LEU  11   8.864   1.231  -6.447
   84   3HD2  LEU  11          3HD2      LEU  11   7.415   1.328  -7.461
   85    H    LYS  12           H        LYS  12   8.903   0.393  -2.502
   86    HA   LYS  12           HA       LYS  12   7.079  -1.726  -3.038
   87   1HB   LYS  12          2HB       LYS  12   9.783  -1.543  -1.689
   88   2HB   LYS  12          3HB       LYS  12   8.933  -3.097  -1.834
   89   1HG   LYS  12          2HG       LYS  12   8.941  -3.014  -4.220
   90   2HG   LYS  12          3HG       LYS  12   9.429  -1.311  -4.250
   91   1HD   LYS  12          2HD       LYS  12  11.612  -1.856  -3.313
   92   2HD   LYS  12          3HD       LYS  12  11.175  -3.577  -3.192
   93   1HE   LYS  12          2HE       LYS  12  11.024  -3.803  -5.585
   94   2HE   LYS  12          3HE       LYS  12  11.071  -2.047  -5.819
   95   1HZ   LYS  12          1HZ       LYS  12  13.312  -1.989  -5.099
   96   2HZ   LYS  12          2HZ       LYS  12  13.345  -3.609  -4.762
   97   3HZ   LYS  12          3HZ       LYS  12  13.198  -3.091  -6.306
   98    H    LYS  13           H        LYS  13   8.074  -0.263   0.108
   99    HA   LYS  13           HA       LYS  13   6.455  -1.986   1.697
  100   1HB   LYS  13          2HB       LYS  13   8.219  -0.427   2.549
  101   2HB   LYS  13          3HB       LYS  13   7.140   0.938   2.228
  102   1HG   LYS  13          2HG       LYS  13   5.439  -0.131   3.772
  103   2HG   LYS  13          3HG       LYS  13   6.615  -1.391   4.144
  104   1HD   LYS  13          2HD       LYS  13   6.953   1.594   4.674
  105   2HD   LYS  13          3HD       LYS  13   6.482   0.388   5.873
  106   1HE   LYS  13          2HE       LYS  13   8.628  -0.747   5.678
  107   2HE   LYS  13          3HE       LYS  13   9.107   0.296   4.327
  108   1HZ   LYS  13          1HZ       LYS  13   9.049   2.191   5.805
  109   2HZ   LYS  13          2HZ       LYS  13   8.607   1.261   7.077
  110   3HZ   LYS  13          3HZ       LYS  13  10.081   1.051   6.394
  111    H    ALA  14           H        ALA  14   5.624   1.143   0.049
  112    HA   ALA  14           HA       ALA  14   2.961   1.241   0.987
  113   1HB   ALA  14          1HB       ALA  14   4.077   3.148  -0.113
  114   2HB   ALA  14          2HB       ALA  14   4.037   2.278  -1.666
  115   3HB   ALA  14          3HB       ALA  14   2.522   2.744  -0.875
  116    H    LYS  15           H        LYS  15   4.314  -0.437  -1.929
  117    HA   LYS  15           HA       LYS  15   1.801  -1.357  -2.905
  118   1HB   LYS  15          2HB       LYS  15   4.607  -2.523  -3.143
  119   2HB   LYS  15          3HB       LYS  15   3.189  -3.237  -3.917
  120   1HG   LYS  15          2HG       LYS  15   2.764  -1.201  -5.178
  121   2HG   LYS  15          3HG       LYS  15   4.137  -0.382  -4.414
  122   1HD   LYS  15          2HD       LYS  15   5.688  -2.020  -5.413
  123   2HD   LYS  15          3HD       LYS  15   4.318  -2.920  -6.101
  124   1HE   LYS  15          2HE       LYS  15   3.664  -0.878  -7.395
  125   2HE   LYS  15          3HE       LYS  15   5.091  -0.045  -6.769
  126   1HZ   LYS  15          1HZ       LYS  15   6.465  -1.727  -7.889
  127   2HZ   LYS  15          2HZ       LYS  15   5.134  -2.481  -8.464
  128   3HZ   LYS  15          3HZ       LYS  15   5.496  -0.977  -8.965
  129    H    GLU  16           H        GLU  16   4.077  -2.903  -0.563
  130    HA   GLU  16           HA       GLU  16   2.468  -5.230  -0.185
  131   1HB   GLU  16          2HB       GLU  16   4.490  -3.829   1.614
  132   2HB   GLU  16          3HB       GLU  16   3.722  -5.353   2.044
  133   1HG   GLU  16          2HG       GLU  16   5.391  -4.931  -0.473
  134   2HG   GLU  16          3HG       GLU  16   6.000  -5.593   1.036
  135    H    LEU  17           H        LEU  17   2.544  -2.114   1.617
  136    HA   LEU  17           HA       LEU  17   0.522  -2.742   3.499
  137   1HB   LEU  17          2HB       LEU  17   1.452  -0.138   2.250
  138   2HB   LEU  17          3HB       LEU  17   0.173  -0.168   3.453
  139    HG   LEU  17           HG       LEU  17   2.904  -1.395   4.010
  140   1HD1  LEU  17          1HD1      LEU  17   3.473   0.720   5.168
  141   2HD1  LEU  17          2HD1      LEU  17   3.245   0.969   3.431
  142   3HD1  LEU  17          3HD1      LEU  17   1.970   1.451   4.567
  143   1HD2  LEU  17          1HD2      LEU  17   1.077  -2.078   5.537
  144   2HD2  LEU  17          2HD2      LEU  17   2.270  -1.069   6.357
  145   3HD2  LEU  17          3HD2      LEU  17   0.718  -0.363   5.865
  146    H    ALA  18           H        ALA  18   0.238  -1.218   0.257
  147    HA   ALA  18           HA       ALA  18  -2.565  -0.895   0.220
  148   1HB   ALA  18          1HB       ALA  18  -1.019   0.234  -1.341
  149   2HB   ALA  18          2HB       ALA  18  -0.618  -1.335  -2.078
  150   3HB   ALA  18          3HB       ALA  18  -2.259  -0.679  -2.222
  151    H    SER  19           H        SER  19  -0.726  -3.824   0.031
  152    HA   SER  19           HA       SER  19  -2.982  -5.307  -1.229
  153   1HB   SER  19          2HB       SER  19  -0.080  -6.145  -0.874
  154   2HB   SER  19          3HB       SER  19  -1.326  -6.950  -1.845
  155    HG   SER  19           HG       SER  19  -0.018  -4.474  -2.266
  156    H    SER  20           H        SER  20  -1.868  -4.546   1.844
  157    HA   SER  20           HA       SER  20  -1.822  -7.173   3.040
  158   1HB   SER  20          2HB       SER  20  -2.010  -4.372   4.219
  159   2HB   SER  20          3HB       SER  20  -1.747  -5.849   5.158
  160    HG   SER  20           HG       SER  20  -0.056  -5.091   2.989
  161    H    ALA  21           H        ALA  21  -4.472  -5.236   2.003
  162    HA   ALA  21           HA       ALA  21  -6.393  -7.012   3.278
  163   1HB   ALA  21          1HB       ALA  21  -6.158  -5.292   5.024
  164   2HB   ALA  21          2HB       ALA  21  -6.353  -4.000   3.817
  165   3HB   ALA  21          3HB       ALA  21  -7.713  -5.054   4.211
  166    HA   PRO  22           HA       PRO  22  -8.321  -6.079  -0.612
  167   1HB   PRO  22          2HB       PRO  22 -11.017  -6.227  -0.160
  168   2HB   PRO  22          3HB       PRO  22  -9.936  -7.649  -0.123
  169   1HG   PRO  22          2HG       PRO  22 -10.873  -5.981   2.240
  170   2HG   PRO  22          3HG       PRO  22 -10.939  -7.766   2.054
  171   1HD   PRO  22          2HD       PRO  22  -8.925  -6.595   3.396
  172   2HD   PRO  22          3HD       PRO  22  -8.582  -7.958   2.297
  173    H    VAL  23           H        VAL  23  -8.776  -3.861   2.033
  174    HA   VAL  23           HA       VAL  23  -9.142  -1.686   0.110
  175    HB   VAL  23           HB       VAL  23 -10.776  -1.986   2.655
  176   1HG1  VAL  23          1HG1      VAL  23 -10.191   0.366   2.314
  177   2HG1  VAL  23          2HG1      VAL  23 -10.708   0.287   0.626
  178   3HG1  VAL  23          3HG1      VAL  23 -11.898   0.134   1.934
  179   1HG2  VAL  23          1HG2      VAL  23 -11.760  -3.371   0.918
  180   2HG2  VAL  23          2HG2      VAL  23 -12.772  -1.984   1.296
  181   3HG2  VAL  23          3HG2      VAL  23 -11.793  -1.988  -0.194
  182    H    VAL  24           H        VAL  24  -7.754   0.000   0.725
  183    HA   VAL  24           HA       VAL  24  -6.541  -0.124   3.421
  184    HB   VAL  24           HB       VAL  24  -4.899   0.019   0.863
  185   1HG1  VAL  24          1HG1      VAL  24  -4.075  -0.046   3.804
  186   2HG1  VAL  24          2HG1      VAL  24  -2.961  -0.173   2.429
  187   3HG1  VAL  24          3HG1      VAL  24  -3.864   1.313   2.676
  188   1HG2  VAL  24          1HG2      VAL  24  -3.988  -2.185   1.598
  189   2HG2  VAL  24          2HG2      VAL  24  -5.185  -2.236   2.897
  190   3HG2  VAL  24          3HG2      VAL  24  -5.686  -2.285   1.188
  191    H    VAL  25           H        VAL  25  -6.155   1.847   4.259
  192    HA   VAL  25           HA       VAL  25  -6.641   4.266   2.592
  193    HB   VAL  25           HB       VAL  25  -7.541   3.725   5.458
  194   1HG1  VAL  25          1HG1      VAL  25  -8.192   6.033   3.569
  195   2HG1  VAL  25          2HG1      VAL  25  -8.822   5.804   5.218
  196   3HG1  VAL  25          3HG1      VAL  25  -7.102   6.115   4.963
  197   1HG2  VAL  25          1HG2      VAL  25  -8.886   2.335   3.987
  198   2HG2  VAL  25          2HG2      VAL  25  -9.841   3.701   4.559
  199   3HG2  VAL  25          3HG2      VAL  25  -9.193   3.712   2.901
  200    H    PHE  26           H        PHE  26  -4.608   5.093   2.402
  201    HA   PHE  26           HA       PHE  26  -2.731   5.136   4.703
  202   1HB   PHE  26          2HB       PHE  26  -2.593   6.452   1.958
  203   2HB   PHE  26          3HB       PHE  26  -1.327   6.477   3.171
  204    HD1  PHE  26           1HD      PHE  26   0.129   4.563   3.531
  205    HD2  PHE  26           2HD      PHE  26  -3.159   4.297   0.755
  206    HE1  PHE  26           1HE      PHE  26   1.049   2.442   2.635
  207    HE2  PHE  26           2HE      PHE  26  -2.245   2.159  -0.112
  208    HZ   PHE  26           HZ       PHE  26  -0.140   1.238   0.817
  209    H    SER  27           H        SER  27  -2.709   6.953   6.091
  210    HA   SER  27           HA       SER  27  -4.415   9.291   5.458
  211   1HB   SER  27          2HB       SER  27  -5.668   8.738   7.627
  212   2HB   SER  27          3HB       SER  27  -6.002   7.697   6.242
  213    HG   SER  27           HG       SER  27  -5.633   6.523   8.181
  214    H    LYS  28           H        LYS  28  -4.617  10.409   7.875
  215    HA   LYS  28           HA       LYS  28  -1.991  10.492   9.205
  216   1HB   LYS  28          2HB       LYS  28  -3.174  12.619   7.559
  217   2HB   LYS  28          3HB       LYS  28  -3.102  13.132   9.220
  218   1HG   LYS  28          2HG       LYS  28  -1.190  13.810   7.781
  219   2HG   LYS  28          3HG       LYS  28  -0.772  13.057   9.326
  220   1HD   LYS  28          2HD       LYS  28  -0.233  10.941   8.118
  221   2HD   LYS  28          3HD       LYS  28  -0.601  11.721   6.581
  222   1HE   LYS  28          2HE       LYS  28   1.491  12.714   8.576
  223   2HE   LYS  28          3HE       LYS  28   1.863  11.585   7.274
  224   1HZ   LYS  28          1HZ       LYS  28   2.354  13.906   6.719
  225   2HZ   LYS  28          2HZ       LYS  28   1.327  13.230   5.658
  226   3HZ   LYS  28          3HZ       LYS  28   0.775  14.298   6.794
  227    H    THR  29           H        THR  29  -2.275  11.619  11.377
  228    HA   THR  29           HA       THR  29  -4.122  10.006  12.754
  229    HB   THR  29           HB       THR  29  -3.098  11.539  14.686
  230    HG1  THR  29           1HG      THR  29  -1.185  12.506  14.014
  231   1HG2  THR  29          1HG2      THR  29  -1.430   9.659  12.952
  232   2HG2  THR  29          2HG2      THR  29  -1.017  10.190  14.600
  233   3HG2  THR  29          3HG2      THR  29  -2.460   9.205  14.323
  234    H    TYR  30           H        TYR  30  -4.603  13.302  11.601
  235    HA   TYR  30           HA       TYR  30  -6.925  13.548  13.476
  236   1HB   TYR  30          2HB       TYR  30  -6.284  15.868  13.839
  237   2HB   TYR  30          3HB       TYR  30  -5.003  14.775  14.327
  238    HD1  TYR  30           1HD      TYR  30  -6.056  17.266  11.776
  239    HD2  TYR  30           2HD      TYR  30  -2.842  14.735  13.154
  240    HE1  TYR  30           1HE      TYR  30  -4.523  18.371  10.195
  241    HE2  TYR  30           2HE      TYR  30  -1.278  15.877  11.615
  242    HH   TYR  30           HH       TYR  30  -2.320  18.533   9.421
  243    H    CYS  31           H        CYS  31  -5.833  14.068  10.133
  244    HA   CYS  31           HA       CYS  31  -7.426  16.169   9.447
  245   1HB   CYS  31          2HB       CYS  31  -6.749  13.789   7.687
  246   2HB   CYS  31          3HB       CYS  31  -7.127  15.441   7.156
  247    H    GLY  32           H        GLY  32  -9.488  16.564   9.060
  248   1HA   GLY  32          1HA       GLY  32 -11.593  14.889   9.819
  249   2HA   GLY  32          2HA       GLY  32 -11.739  16.324   8.786
  250    H    TYR  33           H        TYR  33 -10.148  15.377   6.559
  251    HA   TYR  33           HA       TYR  33 -12.041  13.850   5.098
  252   1HB   TYR  33          2HB       TYR  33  -9.070  14.341   4.625
  253   2HB   TYR  33          3HB       TYR  33 -10.167  13.658   3.446
  254    HD1  TYR  33           1HD      TYR  33  -8.605  16.638   4.414
  255    HD2  TYR  33           2HD      TYR  33 -12.438  15.155   3.080
  256    HE1  TYR  33           1HE      TYR  33  -9.210  18.906   3.632
  257    HE2  TYR  33           2HE      TYR  33 -13.045  17.413   2.291
  258    HH   TYR  33           HH       TYR  33 -12.371  19.635   2.077
  259    H    CYS  34           H        CYS  34  -9.098  12.844   6.885
  260    HA   CYS  34           HA       CYS  34  -9.117  10.108   5.926
  261   1HB   CYS  34          2HB       CYS  34  -7.866  11.391   8.404
  262   2HB   CYS  34          3HB       CYS  34  -7.643   9.712   7.913
  263    HG   CYS  34           HG       CYS  34  -7.007  12.425   6.090
  264    H    ASN  35           H        ASN  35 -10.323  11.775   8.898
  265    HA   ASN  35           HA       ASN  35 -11.539   9.464  10.037
  266   1HB   ASN  35          2HB       ASN  35 -11.310  11.516  11.339
  267   2HB   ASN  35          3HB       ASN  35 -12.385  12.380  10.235
  268   1HD2  ASN  35          2HD2      ASN  35 -14.429  12.623  11.140
  269   2HD2  ASN  35          1HD2      ASN  35 -15.226  11.425  12.121
  270    H    ARG  36           H        ARG  36 -12.955  11.904   7.766
  271    HA   ARG  36           HA       ARG  36 -15.525  10.813   7.684
  272   1HB   ARG  36          2HB       ARG  36 -14.843  13.021   6.737
  273   2HB   ARG  36          3HB       ARG  36 -14.046  12.189   5.392
  274   1HG   ARG  36          2HG       ARG  36 -16.252  11.200   4.732
  275   2HG   ARG  36          3HG       ARG  36 -17.015  12.050   6.090
  276   1HD   ARG  36          2HD       ARG  36 -16.287  14.221   5.088
  277   2HD   ARG  36          3HD       ARG  36 -15.598  13.328   3.714
  278    HE   ARG  36           HE       ARG  36 -18.356  12.627   4.145
  279   1HH1  ARG  36          1HH2      ARG  36 -16.350  15.222   2.786
  280   2HH1  ARG  36          2HH2      ARG  36 -17.573  15.806   1.721
  281   1HH2  ARG  36          1HH1      ARG  36 -19.997  13.415   2.741
  282   2HH2  ARG  36          2HH1      ARG  36 -19.696  14.756   1.706
  283    H    VAL  37           H        VAL  37 -12.724   9.975   5.483
  284    HA   VAL  37           HA       VAL  37 -14.399   8.112   4.102
  285    HB   VAL  37           HB       VAL  37 -12.400   9.181   3.150
  286   1HG1  VAL  37          1HG1      VAL  37 -10.723   8.871   4.893
  287   2HG1  VAL  37          2HG1      VAL  37 -10.786   7.107   4.684
  288   3HG1  VAL  37          3HG1      VAL  37 -10.189   8.140   3.377
  289   1HG2  VAL  37          1HG2      VAL  37 -12.381   6.151   2.919
  290   2HG2  VAL  37          2HG2      VAL  37 -13.569   7.223   2.151
  291   3HG2  VAL  37          3HG2      VAL  37 -11.864   7.344   1.706
  292    H    LYS  38           H        LYS  38 -12.166   7.666   6.906
  293    HA   LYS  38           HA       LYS  38 -12.503   4.844   7.123
  294   1HB   LYS  38          2HB       LYS  38 -12.128   6.984   9.258
  295   2HB   LYS  38          3HB       LYS  38 -12.150   5.255   9.604
  296   1HG   LYS  38          2HG       LYS  38 -10.164   4.856   8.293
  297   2HG   LYS  38          3HG       LYS  38 -10.203   6.473   7.602
  298   1HD   LYS  38          2HD       LYS  38  -8.478   6.399   9.296
  299   2HD   LYS  38          3HD       LYS  38  -9.781   7.464   9.834
  300   1HE   LYS  38          2HE       LYS  38 -10.701   5.521  11.194
  301   2HE   LYS  38          3HE       LYS  38  -9.272   4.588  10.736
  302   1HZ   LYS  38          1HZ       LYS  38  -7.898   6.268  11.888
  303   2HZ   LYS  38          2HZ       LYS  38  -9.242   7.119  12.283
  304   3HZ   LYS  38          3HZ       LYS  38  -9.010   5.629  12.894
  305    H    GLN  39           H        GLN  39 -14.594   7.494   8.501
  306    HA   GLN  39           HA       GLN  39 -16.433   5.636   9.663
  307   1HB   GLN  39          2HB       GLN  39 -16.962   8.485   8.720
  308   2HB   GLN  39          3HB       GLN  39 -18.026   7.520   9.740
  309   1HG   GLN  39          2HG       GLN  39 -15.374   8.752  10.465
  310   2HG   GLN  39          3HG       GLN  39 -16.937   9.065  11.163
  311   1HE2  GLN  39          2HE2      GLN  39 -14.277   8.197  12.337
  312   2HE2  GLN  39          1HE2      GLN  39 -14.656   6.765  13.283
  313    H    LEU  40           H        LEU  40 -16.332   7.123   6.368
  314    HA   LEU  40           HA       LEU  40 -18.929   6.200   5.670
  315   1HB   LEU  40          2HB       LEU  40 -17.679   7.978   4.476
  316   2HB   LEU  40          3HB       LEU  40 -16.566   6.770   3.830
  317    HG   LEU  40           HG       LEU  40 -18.327   5.770   2.468
  318   1HD1  LEU  40          1HD1      LEU  40 -20.632   6.723   2.446
  319   2HD1  LEU  40          2HD1      LEU  40 -20.277   5.868   3.934
  320   3HD1  LEU  40          3HD1      LEU  40 -20.253   7.651   3.906
  321   1HD2  LEU  40          1HD2      LEU  40 -18.611   8.777   2.295
  322   2HD2  LEU  40          2HD2      LEU  40 -17.250   7.846   1.630
  323   3HD2  LEU  40          3HD2      LEU  40 -18.891   7.578   1.010
  324    H    LEU  41           H        LEU  41 -15.687   4.723   5.191
  325    HA   LEU  41           HA       LEU  41 -16.597   2.343   3.901
  326   1HB   LEU  41          2HB       LEU  41 -14.157   2.978   5.595
  327   2HB   LEU  41          3HB       LEU  41 -14.403   1.404   4.849
  328    HG   LEU  41           HG       LEU  41 -14.309   4.007   3.263
  329   1HD1  LEU  41          1HD1      LEU  41 -12.028   3.301   2.628
  330   2HD1  LEU  41          2HD1      LEU  41 -12.178   3.590   4.369
  331   3HD1  LEU  41          3HD1      LEU  41 -12.140   1.924   3.753
  332   1HD2  LEU  41          1HD2      LEU  41 -14.243   1.081   2.395
  333   2HD2  LEU  41          2HD2      LEU  41 -15.520   2.266   2.047
  334   3HD2  LEU  41          3HD2      LEU  41 -13.923   2.468   1.330
  335    H    THR  42           H        THR  42 -16.170   3.146   7.366
  336    HA   THR  42           HA       THR  42 -16.854   0.592   8.396
  337    HB   THR  42           HB       THR  42 -17.375   3.354   9.589
  338    HG1  THR  42           1HG      THR  42 -15.248   3.194   9.131
  339   1HG2  THR  42          1HG2      THR  42 -17.142   2.203  11.767
  340   2HG2  THR  42          2HG2      THR  42 -18.546   1.621  10.860
  341   3HG2  THR  42          3HG2      THR  42 -17.064   0.635  10.929
  342    H    GLN  43           H        GLN  43 -18.942   3.404   7.511
  343    HA   GLN  43           HA       GLN  43 -21.316   2.233   8.575
  344   1HB   GLN  43          2HB       GLN  43 -20.776   4.496   6.625
  345   2HB   GLN  43          3HB       GLN  43 -22.426   3.999   7.007
  346   1HG   GLN  43          2HG       GLN  43 -22.185   4.493   9.338
  347   2HG   GLN  43          3HG       GLN  43 -20.439   4.691   9.206
  348   1HE2  GLN  43          2HE2      GLN  43 -19.617   6.494   7.923
  349   2HE2  GLN  43          1HE2      GLN  43 -20.547   7.987   7.803
  350    H    VAL  44           H        VAL  44 -19.916   2.121   5.243
  351    HA   VAL  44           HA       VAL  44 -22.235   0.702   4.240
  352    HB   VAL  44           HB       VAL  44 -20.960   0.371   2.200
  353   1HG1  VAL  44          1HG1      VAL  44 -20.638   3.209   3.262
  354   2HG1  VAL  44          2HG1      VAL  44 -20.695   2.706   1.566
  355   3HG1  VAL  44          3HG1      VAL  44 -22.127   2.513   2.593
  356   1HG2  VAL  44          1HG2      VAL  44 -18.616   1.673   3.608
  357   2HG2  VAL  44          2HG2      VAL  44 -18.702  -0.027   3.108
  358   3HG2  VAL  44          3HG2      VAL  44 -18.705   1.259   1.893
  359    H    GLY  45           H        GLY  45 -19.885  -0.345   6.412
  360   1HA   GLY  45          1HA       GLY  45 -19.619  -2.417   7.325
  361   2HA   GLY  45          2HA       GLY  45 -20.741  -3.098   6.136
  362    H    ALA  46           H        ALA  46 -17.782  -1.238   5.353
  363    HA   ALA  46           HA       ALA  46 -16.683  -3.351   3.694
  364   1HB   ALA  46          1HB       ALA  46 -15.328  -0.839   4.762
  365   2HB   ALA  46          2HB       ALA  46 -14.881  -1.774   3.324
  366   3HB   ALA  46          3HB       ALA  46 -16.380  -0.827   3.341
  367    H    SER  47           H        SER  47 -14.337  -3.915   4.087
  368    HA   SER  47           HA       SER  47 -13.491  -4.153   6.919
  369   1HB   SER  47          2HB       SER  47 -12.983  -6.305   4.827
  370   2HB   SER  47          3HB       SER  47 -12.703  -6.382   6.574
  371    HG   SER  47           HG       SER  47 -15.111  -6.405   5.104
  372    H    TYR  48           H        TYR  48 -11.567  -3.020   7.034
  373    HA   TYR  48           HA       TYR  48  -9.900  -2.722   4.629
  374   1HB   TYR  48          2HB       TYR  48 -10.046  -0.309   4.651
  375   2HB   TYR  48          3HB       TYR  48 -11.651  -0.978   4.442
  376    HD1  TYR  48           1HD      TYR  48 -13.343  -0.881   6.298
  377    HD2  TYR  48           2HD      TYR  48  -9.516   1.101   6.530
  378    HE1  TYR  48           1HE      TYR  48 -14.200   0.538   8.142
  379    HE2  TYR  48           2HE      TYR  48 -10.371   2.510   8.387
  380    HH   TYR  48           HH       TYR  48 -13.690   2.224   9.673
  381    H    LYS  49           H        LYS  49  -7.924  -1.508   5.081
  382    HA   LYS  49           HA       LYS  49  -7.001  -1.714   7.918
  383   1HB   LYS  49          2HB       LYS  49  -6.154  -3.530   6.530
  384   2HB   LYS  49          3HB       LYS  49  -5.536  -2.404   5.327
  385   1HG   LYS  49          2HG       LYS  49  -4.521  -2.181   8.162
  386   2HG   LYS  49          3HG       LYS  49  -4.033  -3.580   7.208
  387   1HD   LYS  49          2HD       LYS  49  -3.182  -2.108   5.407
  388   2HD   LYS  49          3HD       LYS  49  -3.551  -0.684   6.377
  389   1HE   LYS  49          2HE       LYS  49  -1.609  -2.930   7.112
  390   2HE   LYS  49          3HE       LYS  49  -1.163  -1.341   6.503
  391   1HZ   LYS  49          1HZ       LYS  49  -2.431  -1.914   9.120
  392   2HZ   LYS  49          2HZ       LYS  49  -0.930  -1.351   8.866
  393   3HZ   LYS  49          3HZ       LYS  49  -2.223  -0.393   8.547
  394    H    VAL  50           H        VAL  50  -5.382  -0.083   8.482
  395    HA   VAL  50           HA       VAL  50  -5.637   2.380   6.832
  396    HB   VAL  50           HB       VAL  50  -5.811   2.200   9.866
  397   1HG1  VAL  50          1HG1      VAL  50  -6.674   4.516   9.684
  398   2HG1  VAL  50          2HG1      VAL  50  -5.053   4.392   9.011
  399   3HG1  VAL  50          3HG1      VAL  50  -6.452   4.464   7.917
  400   1HG2  VAL  50          1HG2      VAL  50  -7.844   1.144   8.969
  401   2HG2  VAL  50          2HG2      VAL  50  -8.230   2.740   9.596
  402   3HG2  VAL  50          3HG2      VAL  50  -8.064   2.506   7.839
  403    H    VAL  51           H        VAL  51  -3.845   3.828   7.002
  404    HA   VAL  51           HA       VAL  51  -1.514   2.941   8.576
  405    HB   VAL  51           HB       VAL  51  -1.012   3.894   5.747
  406   1HG1  VAL  51          1HG1      VAL  51   0.536   1.976   7.538
  407   2HG1  VAL  51          2HG1      VAL  51   1.116   2.857   6.106
  408   3HG1  VAL  51          3HG1      VAL  51   0.747   3.731   7.597
  409   1HG2  VAL  51          1HG2      VAL  51  -2.424   1.964   5.296
  410   2HG2  VAL  51          2HG2      VAL  51  -0.738   1.606   4.935
  411   3HG2  VAL  51          3HG2      VAL  51  -1.467   0.975   6.428
  412    H    GLU  52           H        GLU  52  -2.176   4.637   9.999
  413    HA   GLU  52           HA       GLU  52  -2.410   7.383   9.035
  414   1HB   GLU  52          2HB       GLU  52  -2.339   6.121  11.797
  415   2HB   GLU  52          3HB       GLU  52  -2.311   7.881  11.542
  416   1HG   GLU  52          2HG       GLU  52  -4.408   7.820  10.324
  417   2HG   GLU  52          3HG       GLU  52  -4.434   6.059  10.366
  418    H    LEU  53           H        LEU  53  -0.581   7.773   7.903
  419    HA   LEU  53           HA       LEU  53   1.969   6.807   8.431
  420   1HB   LEU  53          2HB       LEU  53   1.135   9.281   6.860
  421   2HB   LEU  53          3HB       LEU  53   2.733   8.550   6.782
  422    HG   LEU  53           HG       LEU  53   0.136   7.200   5.935
  423   1HD1  LEU  53          1HD1      LEU  53   0.993   7.421   3.657
  424   2HD1  LEU  53          2HD1      LEU  53   0.839   9.011   4.419
  425   3HD1  LEU  53          3HD1      LEU  53   2.444   8.247   4.265
  426   1HD2  LEU  53          1HD2      LEU  53   1.775   5.534   6.743
  427   2HD2  LEU  53          2HD2      LEU  53   1.606   5.438   5.001
  428   3HD2  LEU  53          3HD2      LEU  53   3.024   6.244   5.705
  429    H    ASP  54           H        ASP  54   0.535   9.590  10.015
  430    HA   ASP  54           HA       ASP  54   2.986  10.959  10.593
  431   1HB   ASP  54          2HB       ASP  54   0.746  11.974  10.870
  432   2HB   ASP  54          3HB       ASP  54   0.404  10.856  12.191
  433    H    GLU  55           H        GLU  55   1.546   8.036  11.954
  434    HA   GLU  55           HA       GLU  55   3.300   8.057  14.333
  435   1HB   GLU  55          2HB       GLU  55   1.222   6.109  13.245
  436   2HB   GLU  55          3HB       GLU  55   2.162   5.800  14.698
  437   1HG   GLU  55          2HG       GLU  55   0.367   8.235  14.365
  438   2HG   GLU  55          3HG       GLU  55  -0.159   6.713  15.068
  439    H    LEU  56           H        LEU  56   3.642   7.172  11.036
  440    HA   LEU  56           HA       LEU  56   5.010   4.629  11.543
  441   1HB   LEU  56          2HB       LEU  56   3.418   4.952   9.645
  442   2HB   LEU  56          3HB       LEU  56   4.504   6.167   8.967
  443    HG   LEU  56           HG       LEU  56   6.275   4.442   8.726
  444   1HD1  LEU  56          1HD1      LEU  56   5.648   2.030   8.886
  445   2HD1  LEU  56          2HD1      LEU  56   5.653   2.813  10.463
  446   3HD1  LEU  56          3HD1      LEU  56   4.109   2.494   9.641
  447   1HD2  LEU  56          1HD2      LEU  56   3.613   3.731   7.417
  448   2HD2  LEU  56          2HD2      LEU  56   4.767   4.969   6.864
  449   3HD2  LEU  56          3HD2      LEU  56   5.227   3.266   6.833
  450    H    SER  57           H        SER  57   7.216   4.293  11.415
  451    HA   SER  57           HA       SER  57   8.939   6.288  12.123
  452   1HB   SER  57          2HB       SER  57   9.750   3.725  10.710
  453   2HB   SER  57          3HB       SER  57  10.633   4.602  11.974
  454    HG   SER  57           HG       SER  57   9.521   2.780  12.806
  455    H    ASP  58           H        ASP  58   8.151   5.325   8.796
  456    HA   ASP  58           HA       ASP  58  10.037   7.368   7.720
  457   1HB   ASP  58          2HB       ASP  58  10.335   6.010   5.787
  458   2HB   ASP  58          3HB       ASP  58  10.743   5.051   7.206
  459    H    GLY  59           H        GLY  59   7.157   7.530   8.670
  460   1HA   GLY  59          1HA       GLY  59   5.158   7.354   6.865
  461   2HA   GLY  59          2HA       GLY  59   5.307   8.664   8.044
  462    H    SER  60           H        SER  60   7.240  10.340   7.098
  463    HA   SER  60           HA       SER  60   5.954  11.685   4.984
  464   1HB   SER  60          2HB       SER  60   8.868  11.986   5.796
  465   2HB   SER  60          3HB       SER  60   7.801  13.215   5.092
  466    HG   SER  60           HG       SER  60   8.028  13.444   7.370
  467    H    GLN  61           H        GLN  61   8.709   9.397   4.893
  468    HA   GLN  61           HA       GLN  61   9.348   9.866   2.087
  469   1HB   GLN  61          2HB       GLN  61  10.002   7.510   3.922
  470   2HB   GLN  61          3HB       GLN  61  10.692   7.800   2.323
  471   1HG   GLN  61          2HG       GLN  61  11.688   9.910   3.109
  472   2HG   GLN  61          3HG       GLN  61  11.002   9.667   4.717
  473   1HE2  GLN  61          2HE2      GLN  61  13.598   8.789   2.558
  474   2HE2  GLN  61          1HE2      GLN  61  14.488   7.786   3.687
  475    H    LEU  62           H        LEU  62   7.368   7.589   3.981
  476    HA   LEU  62           HA       LEU  62   6.526   5.939   1.855
  477   1HB   LEU  62          2HB       LEU  62   6.402   5.776   4.496
  478   2HB   LEU  62          3HB       LEU  62   4.854   6.570   4.305
  479    HG   LEU  62           HG       LEU  62   4.748   4.150   4.574
  480   1HD1  LEU  62          1HD1      LEU  62   3.152   3.630   2.842
  481   2HD1  LEU  62          2HD1      LEU  62   3.002   5.369   3.162
  482   3HD1  LEU  62          3HD1      LEU  62   3.879   4.802   1.730
  483   1HD2  LEU  62          1HD2      LEU  62   6.066   3.844   1.858
  484   2HD2  LEU  62          2HD2      LEU  62   6.881   3.587   3.413
  485   3HD2  LEU  62          3HD2      LEU  62   5.501   2.566   2.939
  486    H    GLN  63           H        GLN  63   4.993   8.916   3.265
  487    HA   GLN  63           HA       GLN  63   2.866   8.921   1.382
  488   1HB   GLN  63          2HB       GLN  63   3.147  10.322   3.589
  489   2HB   GLN  63          3HB       GLN  63   3.982  11.486   2.552
  490   1HG   GLN  63          2HG       GLN  63   1.969  11.413   1.006
  491   2HG   GLN  63          3HG       GLN  63   1.148  10.376   2.168
  492   1HE2  GLN  63          2HE2      GLN  63   0.335  12.957   1.145
  493   2HE2  GLN  63          1HE2      GLN  63   0.281  14.098   2.495
  494    H    SER  64           H        SER  64   6.195  10.261   1.210
  495    HA   SER  64           HA       SER  64   5.856  11.620  -1.283
  496   1HB   SER  64          2HB       SER  64   8.370  10.306  -0.168
  497   2HB   SER  64          3HB       SER  64   8.285  11.525  -1.441
  498    HG   SER  64           HG       SER  64   7.535  11.825   1.296
  499    H    ALA  65           H        ALA  65   6.625   8.179  -0.517
  500    HA   ALA  65           HA       ALA  65   6.929   7.368  -3.243
  501   1HB   ALA  65          1HB       ALA  65   6.587   5.126  -2.430
  502   2HB   ALA  65          2HB       ALA  65   7.662   6.000  -1.326
  503   3HB   ALA  65          3HB       ALA  65   5.959   5.710  -0.882
  504    H    LEU  66           H        LEU  66   4.024   7.491  -1.078
  505    HA   LEU  66           HA       LEU  66   2.182   6.564  -3.040
  506   1HB   LEU  66          2HB       LEU  66   1.877   8.339  -0.609
  507   2HB   LEU  66          3HB       LEU  66   0.583   8.301  -1.777
  508    HG   LEU  66           HG       LEU  66   0.092   6.830   0.038
  509   1HD1  LEU  66          1HD1      LEU  66   0.658   5.152  -2.437
  510   2HD1  LEU  66          2HD1      LEU  66  -0.491   4.805  -1.141
  511   3HD1  LEU  66          3HD1      LEU  66  -0.753   6.206  -2.191
  512   1HD2  LEU  66          1HD2      LEU  66   2.286   6.224   0.795
  513   2HD2  LEU  66          2HD2      LEU  66   1.360   4.758   0.459
  514   3HD2  LEU  66          3HD2      LEU  66   2.611   5.292  -0.684
  515    H    ALA  67           H        ALA  67   3.457   9.905  -2.509
  516    HA   ALA  67           HA       ALA  67   1.810  11.059  -4.527
  517   1HB   ALA  67          1HB       ALA  67   3.369  12.950  -4.443
  518   2HB   ALA  67          2HB       ALA  67   3.075  12.367  -2.792
  519   3HB   ALA  67          3HB       ALA  67   4.587  11.955  -3.618
  520    H    HIS  68           H        HIS  68   5.137   9.796  -4.722
  521    HA   HIS  68           HA       HIS  68   5.578  10.172  -7.481
  522   1HB   HIS  68          2HB       HIS  68   7.471   9.607  -6.304
  523   2HB   HIS  68          3HB       HIS  68   6.638   8.468  -5.265
  524    HD1  HIS  68           1HD      HIS  68   8.363   8.491  -8.704
  525    HD2  HIS  68           2HD      HIS  68   6.514   5.947  -5.900
  526    HE1  HIS  68           1HE      HIS  68   8.896   6.111  -9.436
  527    H    TRP  69           H        TRP  69   3.979   7.451  -5.768
  528    HA   TRP  69           HA       TRP  69   3.788   5.853  -8.148
  529   1HB   TRP  69          2HB       TRP  69   4.135   5.010  -5.844
  530   2HB   TRP  69          3HB       TRP  69   2.539   5.572  -5.386
  531    HD1  TRP  69           HD1      TRP  69   2.903   3.721  -8.713
  532    HE1  TRP  69           HE1      TRP  69   1.804   1.456  -8.554
  533    HE3  TRP  69           HE3      TRP  69   2.055   3.609  -3.661
  534    HZ2  TRP  69           HZ2      TRP  69   0.538  -0.190  -6.505
  535    HZ3  TRP  69           HZ3      TRP  69   0.891   1.668  -2.635
  536    HH2  TRP  69           HH2      TRP  69   0.113  -0.217  -4.054
  537    H    THR  70           H        THR  70   1.330   7.563  -6.119
  538    HA   THR  70           HA       THR  70  -0.803   6.667  -7.893
  539    HB   THR  70           HB       THR  70  -2.304   7.630  -6.291
  540    HG1  THR  70           1HG      THR  70  -0.021   8.678  -4.942
  541   1HG2  THR  70          1HG2      THR  70  -1.045   5.452  -5.748
  542   2HG2  THR  70          2HG2      THR  70  -0.062   6.404  -4.634
  543   3HG2  THR  70          3HG2      THR  70  -1.817   6.290  -4.394
  544    H    GLY  71           H        GLY  71   1.187   9.527  -7.636
  545   1HA   GLY  71          1HA       GLY  71   1.261  11.364  -8.996
  546   2HA   GLY  71          2HA       GLY  71  -0.177  10.811  -9.868
  547    H    ARG  72           H        ARG  72  -0.838  10.768  -6.489
  548    HA   ARG  72           HA       ARG  72  -1.778  13.610  -6.536
  549   1HB   ARG  72          2HB       ARG  72  -3.626  11.973  -7.007
  550   2HB   ARG  72          3HB       ARG  72  -3.351  11.262  -5.408
  551   1HG   ARG  72          2HG       ARG  72  -3.798  13.509  -4.386
  552   2HG   ARG  72          3HG       ARG  72  -4.071  14.178  -5.992
  553   1HD   ARG  72          2HD       ARG  72  -6.207  13.719  -4.885
  554   2HD   ARG  72          3HD       ARG  72  -6.011  12.725  -6.326
  555    HE   ARG  72           HE       ARG  72  -6.194  10.868  -5.052
  556   1HH1  ARG  72          1HH2      ARG  72  -5.090  13.454  -2.821
  557   2HH1  ARG  72          2HH2      ARG  72  -5.132  12.409  -1.462
  558   1HH2  ARG  72          1HH1      ARG  72  -6.393   9.591  -3.070
  559   2HH2  ARG  72          2HH1      ARG  72  -6.107  10.392  -1.550
  560    H    GLY  73           H        GLY  73  -1.219  10.801  -4.314
  561   1HA   GLY  73          1HA       GLY  73   0.128  10.659  -2.476
  562   2HA   GLY  73          2HA       GLY  73   0.805  12.220  -2.930
  563    H    THR  74           H        THR  74  -1.983  13.596  -2.524
  564    HA   THR  74           HA       THR  74  -1.542  14.271   0.204
  565    HB   THR  74           HB       THR  74  -3.948  15.308  -0.185
  566    HG1  THR  74           1HG      THR  74  -4.254  15.695  -2.431
  567   1HG2  THR  74          1HG2      THR  74  -1.486  16.172  -1.772
  568   2HG2  THR  74          2HG2      THR  74  -2.873  17.204  -1.349
  569   3HG2  THR  74          3HG2      THR  74  -1.829  16.564  -0.071
  570    H    VAL  75           H        VAL  75  -2.568  13.624   2.102
  571    HA   VAL  75           HA       VAL  75  -3.842  11.001   1.985
  572    HB   VAL  75           HB       VAL  75  -3.961  11.369   4.533
  573   1HG1  VAL  75          1HG1      VAL  75  -2.397   9.858   3.405
  574   2HG1  VAL  75          2HG1      VAL  75  -1.279  11.203   3.103
  575   3HG1  VAL  75          3HG1      VAL  75  -1.609  10.663   4.764
  576   1HG2  VAL  75          1HG2      VAL  75  -2.360  12.944   5.513
  577   2HG2  VAL  75          2HG2      VAL  75  -1.910  13.558   3.926
  578   3HG2  VAL  75          3HG2      VAL  75  -3.550  13.837   4.560
  579    HA   PRO  76           HA       PRO  76  -5.346   9.805   3.251
  580   1HB   PRO  76          2HB       PRO  76  -7.742   8.596   2.740
  581   2HB   PRO  76          3HB       PRO  76  -7.414   9.469   4.263
  582   1HG   PRO  76          2HG       PRO  76  -8.841  10.489   1.789
  583   2HG   PRO  76          3HG       PRO  76  -9.353  10.640   3.499
  584   1HD   PRO  76          2HD       PRO  76  -8.047  12.647   2.148
  585   2HD   PRO  76          3HD       PRO  76  -7.815  12.371   3.899
  586    H    ASN  77           H        ASN  77  -5.132   7.937   1.841
  587    HA   ASN  77           HA       ASN  77  -5.678   8.366  -1.064
  588   1HB   ASN  77          2HB       ASN  77  -3.207   8.760  -0.279
  589   2HB   ASN  77          3HB       ASN  77  -3.152   7.007  -0.087
  590   1HD2  ASN  77          2HD2      ASN  77  -2.136   9.244  -2.134
  591   2HD2  ASN  77          1HD2      ASN  77  -2.310   8.413  -3.660
  592    H    VAL  78           H        VAL  78  -6.829   6.630  -1.870
  593    HA   VAL  78           HA       VAL  78  -7.212   4.369   0.046
  594    HB   VAL  78           HB       VAL  78  -9.278   5.797  -1.664
  595   1HG1  VAL  78          1HG1      VAL  78 -10.928   4.416  -0.380
  596   2HG1  VAL  78          2HG1      VAL  78  -9.900   3.435  -1.419
  597   3HG1  VAL  78          3HG1      VAL  78  -9.585   3.500   0.331
  598   1HG2  VAL  78          1HG2      VAL  78 -10.241   6.543   0.462
  599   2HG2  VAL  78          2HG2      VAL  78  -8.937   5.757   1.371
  600   3HG2  VAL  78          3HG2      VAL  78  -8.597   7.151   0.324
  601    H    PHE  79           H        PHE  79  -7.371   2.373  -0.700
  602    HA   PHE  79           HA       PHE  79  -7.129   1.797  -3.602
  603   1HB   PHE  79          2HB       PHE  79  -5.574   0.614  -1.250
  604   2HB   PHE  79          3HB       PHE  79  -5.648  -0.131  -2.830
  605    HD1  PHE  79           1HD      PHE  79  -3.881   0.231  -4.297
  606    HD2  PHE  79           2HD      PHE  79  -4.672   3.179  -1.246
  607    HE1  PHE  79           1HE      PHE  79  -1.907   1.529  -5.030
  608    HE2  PHE  79           2HE      PHE  79  -2.706   4.469  -1.992
  609    HZ   PHE  79           HZ       PHE  79  -1.298   3.639  -3.870
  610    H    ILE  80           H        ILE  80  -8.213  -0.119  -4.201
  611    HA   ILE  80           HA       ILE  80  -9.567  -1.719  -2.147
  612    HB   ILE  80           HB       ILE  80 -11.095  -0.446  -4.464
  613   1HG1  ILE  80          2HG1      ILE  80 -11.432  -0.098  -1.457
  614   2HG1  ILE  80          3HG1      ILE  80 -10.806   1.116  -2.568
  615   1HG2  ILE  80          1HG2      ILE  80 -11.900  -2.575  -2.434
  616   2HG2  ILE  80          2HG2      ILE  80 -13.054  -1.733  -3.479
  617   3HG2  ILE  80          3HG2      ILE  80 -11.811  -2.725  -4.202
  618   1HD1  ILE  80          1HD1      ILE  80 -13.032   1.137  -3.745
  619   2HD1  ILE  80          2HD1      ILE  80 -13.669   0.109  -2.448
  620   3HD1  ILE  80          3HD1      ILE  80 -13.048   1.717  -2.070
  621    H    GLY  81           H        GLY  81  -9.541  -3.856  -2.777
  622   1HA   GLY  81          1HA       GLY  81  -8.880  -5.722  -3.910
  623   2HA   GLY  81          2HA       GLY  81  -9.289  -4.882  -5.418
  624    H    GLY  82           H        GLY  82  -6.880  -3.551  -3.194
  625   1HA   GLY  82          1HA       GLY  82  -4.620  -3.269  -3.341
  626   2HA   GLY  82          2HA       GLY  82  -4.535  -4.565  -4.540
  627    H    LYS  83           H        LYS  83  -6.816  -2.425  -5.793
  628    HA   LYS  83           HA       LYS  83  -4.806  -1.167  -7.571
  629   1HB   LYS  83          2HB       LYS  83  -6.886  -2.334  -8.472
  630   2HB   LYS  83          3HB       LYS  83  -7.860  -1.110  -7.643
  631   1HG   LYS  83          2HG       LYS  83  -6.546   0.639  -8.982
  632   2HG   LYS  83          3HG       LYS  83  -5.863  -0.687  -9.911
  633   1HD   LYS  83          2HD       LYS  83  -8.023  -1.297 -10.775
  634   2HD   LYS  83          3HD       LYS  83  -8.878  -0.251  -9.630
  635   1HE   LYS  83          2HE       LYS  83  -6.904   0.800 -11.705
  636   2HE   LYS  83          3HE       LYS  83  -8.632   0.636 -12.025
  637   1HZ   LYS  83          1HZ       LYS  83  -9.107   2.210 -10.312
  638   2HZ   LYS  83          2HZ       LYS  83  -7.552   2.303  -9.808
  639   3HZ   LYS  83          3HZ       LYS  83  -7.983   2.874 -11.282
  640    H    GLN  84           H        GLN  84  -4.506   1.097  -7.551
  641    HA   GLN  84           HA       GLN  84  -5.309   2.687  -5.295
  642   1HB   GLN  84          2HB       GLN  84  -3.332   2.944  -6.988
  643   2HB   GLN  84          3HB       GLN  84  -4.495   3.722  -8.050
  644   1HG   GLN  84          2HG       GLN  84  -3.728   4.598  -5.228
  645   2HG   GLN  84          3HG       GLN  84  -3.097   5.277  -6.726
  646   1HE2  GLN  84          2HE2      GLN  84  -4.679   6.488  -4.389
  647   2HE2  GLN  84          1HE2      GLN  84  -5.985   7.314  -5.189
  648    H    ILE  85           H        ILE  85  -7.252   3.775  -5.003
  649    HA   ILE  85           HA       ILE  85  -9.206   3.678  -7.257
  650    HB   ILE  85           HB       ILE  85  -9.373   2.778  -4.496
  651   1HG1  ILE  85          2HG1      ILE  85 -11.463   1.759  -5.318
  652   2HG1  ILE  85          3HG1      ILE  85 -11.348   2.680  -6.814
  653   1HG2  ILE  85          1HG2      ILE  85 -10.424   4.918  -3.912
  654   2HG2  ILE  85          2HG2      ILE  85 -11.574   4.742  -5.264
  655   3HG2  ILE  85          3HG2      ILE  85 -11.601   3.613  -3.899
  656   1HD1  ILE  85          1HD1      ILE  85 -10.600   0.311  -7.033
  657   2HD1  ILE  85          2HD1      ILE  85  -9.303   1.441  -7.437
  658   3HD1  ILE  85          3HD1      ILE  85  -9.310   0.621  -5.861
  659    H    GLY  86           H        GLY  86  -7.982   5.786  -4.571
  660   1HA   GLY  86          1HA       GLY  86  -7.928   8.166  -5.933
  661   2HA   GLY  86          2HA       GLY  86  -9.639   7.969  -5.563
  662    H    GLY  87           H        GLY  87 -10.205   9.062  -3.789
  663   1HA   GLY  87          1HA       GLY  87  -8.666   8.871  -1.280
  664   2HA   GLY  87          2HA       GLY  87  -8.859  10.479  -2.002
  665    H    CYS  88           H        CYS  88 -10.041  10.896   0.048
  666    HA   CYS  88           HA       CYS  88 -12.369   9.631   0.936
  667   1HB   CYS  88          2HB       CYS  88 -12.879  11.994   1.867
  668   2HB   CYS  88          3HB       CYS  88 -11.358  11.252   2.368
  669    HG   CYS  88           HG       CYS  88 -11.122  13.894   1.892
  670    H    ASP  89           H        ASP  89 -12.137  12.434  -1.273
  671    HA   ASP  89           HA       ASP  89 -14.876  12.774  -1.759
  672   1HB   ASP  89          2HB       ASP  89 -13.187  14.416  -2.399
  673   2HB   ASP  89          3HB       ASP  89 -12.495  13.296  -3.576
  674    H    THR  90           H        THR  90 -12.576  10.505  -3.331
  675    HA   THR  90           HA       THR  90 -14.323   9.721  -5.438
  676    HB   THR  90           HB       THR  90 -12.211   7.955  -4.168
  677    HG1  THR  90           1HG      THR  90 -11.770  10.218  -5.825
  678   1HG2  THR  90          1HG2      THR  90 -11.763   7.324  -6.500
  679   2HG2  THR  90          2HG2      THR  90 -13.450   7.022  -6.072
  680   3HG2  THR  90          3HG2      THR  90 -13.029   8.437  -7.064
  681    H    VAL  91           H        VAL  91 -13.746   8.362  -2.111
  682    HA   VAL  91           HA       VAL  91 -15.566   6.166  -2.547
  683    HB   VAL  91           HB       VAL  91 -14.704   7.425   0.097
  684   1HG1  VAL  91          1HG1      VAL  91 -15.637   4.582  -0.470
  685   2HG1  VAL  91          2HG1      VAL  91 -15.165   5.254   1.102
  686   3HG1  VAL  91          3HG1      VAL  91 -16.629   5.834   0.301
  687   1HG2  VAL  91          1HG2      VAL  91 -12.984   5.578   0.129
  688   2HG2  VAL  91          2HG2      VAL  91 -13.413   5.185  -1.547
  689   3HG2  VAL  91          3HG2      VAL  91 -12.687   6.754  -1.148
  690    H    VAL  92           H        VAL  92 -15.981   9.495  -1.209
  691    HA   VAL  92           HA       VAL  92 -18.720   9.182  -0.492
  692    HB   VAL  92           HB       VAL  92 -17.088  11.604  -1.358
  693   1HG1  VAL  92          1HG1      VAL  92 -19.882  11.565  -0.131
  694   2HG1  VAL  92          2HG1      VAL  92 -18.857  13.007  -0.326
  695   3HG1  VAL  92          3HG1      VAL  92 -19.450  12.155  -1.751
  696   1HG2  VAL  92          1HG2      VAL  92 -16.453  10.447   0.826
  697   2HG2  VAL  92          2HG2      VAL  92 -16.943  12.135   0.987
  698   3HG2  VAL  92          3HG2      VAL  92 -18.072  10.839   1.423
  699    H    GLU  93           H        GLU  93 -17.225  10.341  -3.595
  700    HA   GLU  93           HA       GLU  93 -19.663  10.781  -4.932
  701   1HB   GLU  93          2HB       GLU  93 -17.498  11.707  -5.577
  702   2HB   GLU  93          3HB       GLU  93 -16.875  10.107  -5.966
  703   1HG   GLU  93          2HG       GLU  93 -19.360  10.673  -7.438
  704   2HG   GLU  93          3HG       GLU  93 -18.184  11.956  -7.670
  705    H    LYS  94           H        LYS  94 -17.516   7.859  -4.997
  706    HA   LYS  94           HA       LYS  94 -19.243   6.364  -6.705
  707   1HB   LYS  94          2HB       LYS  94 -17.186   5.441  -4.652
  708   2HB   LYS  94          3HB       LYS  94 -18.108   4.357  -5.703
  709   1HG   LYS  94          2HG       LYS  94 -17.199   5.674  -7.687
  710   2HG   LYS  94          3HG       LYS  94 -16.029   6.382  -6.557
  711   1HD   LYS  94          2HD       LYS  94 -15.402   4.015  -5.869
  712   2HD   LYS  94          3HD       LYS  94 -16.477   3.410  -7.135
  713   1HE   LYS  94          2HE       LYS  94 -13.896   4.971  -7.447
  714   2HE   LYS  94          3HE       LYS  94 -14.250   3.303  -7.921
  715   1HZ   LYS  94          1HZ       LYS  94 -14.314   4.592  -9.870
  716   2HZ   LYS  94          2HZ       LYS  94 -15.891   4.281  -9.536
  717   3HZ   LYS  94          3HZ       LYS  94 -15.246   5.756  -9.217
  718    H    HIS  95           H        HIS  95 -19.293   6.791  -3.117
  719    HA   HIS  95           HA       HIS  95 -21.276   4.732  -2.760
  720   1HB   HIS  95          2HB       HIS  95 -19.862   5.485  -0.907
  721   2HB   HIS  95          3HB       HIS  95 -20.544   7.111  -1.013
  722    HD1  HIS  95           1HD      HIS  95 -22.200   3.569  -0.622
  723    HD2  HIS  95           2HD      HIS  95 -22.250   7.503   0.867
  724    HE1  HIS  95           1HE      HIS  95 -24.009   3.632   1.159
  725    H    GLN  96           H        GLN  96 -21.486   8.306  -3.248
  726    HA   GLN  96           HA       GLN  96 -24.300   8.443  -3.006
  727   1HB   GLN  96          2HB       GLN  96 -22.301  10.144  -4.549
  728   2HB   GLN  96          3HB       GLN  96 -24.018  10.532  -4.483
  729   1HG   GLN  96          2HG       GLN  96 -22.263  10.253  -2.002
  730   2HG   GLN  96          3HG       GLN  96 -22.598  11.773  -2.820
  731   1HE2  GLN  96          2HE2      GLN  96 -24.883  12.552  -2.870
  732   2HE2  GLN  96          1HE2      GLN  96 -25.984  12.033  -1.621
  733    H    ARG  97           H        ARG  97 -22.247   7.697  -5.877
  734    HA   ARG  97           HA       ARG  97 -24.580   7.303  -7.605
  735   1HB   ARG  97          2HB       ARG  97 -21.630   6.623  -7.966
  736   2HB   ARG  97          3HB       ARG  97 -22.872   6.410  -9.206
  737   1HG   ARG  97          2HG       ARG  97 -23.411   8.879  -9.015
  738   2HG   ARG  97          3HG       ARG  97 -21.973   9.054  -8.002
  739   1HD   ARG  97          2HD       ARG  97 -22.065   8.066 -10.888
  740   2HD   ARG  97          3HD       ARG  97 -21.487   9.635 -10.333
  741    HE   ARG  97           HE       ARG  97 -19.586   8.611  -9.288
  742   1HH1  ARG  97          1HH2      ARG  97 -21.352   6.256 -11.343
  743   2HH1  ARG  97          2HH2      ARG  97 -20.020   5.130 -11.320
  744   1HH2  ARG  97          1HH1      ARG  97 -17.985   7.257  -9.336
  745   2HH2  ARG  97          2HH1      ARG  97 -18.068   5.658 -10.110
  746    H    ASN  98           H        ASN  98 -23.580   5.464  -5.057
  747    HA   ASN  98           HA       ASN  98 -23.490   3.361  -4.438
  748   1HB   ASN  98          2HB       ASN  98 -25.951   3.681  -4.738
  749   2HB   ASN  98          3HB       ASN  98 -25.816   2.896  -6.317
  750   1HD2  ASN  98          2HD2      ASN  98 -26.984   0.968  -5.844
  751   2HD2  ASN  98          1HD2      ASN  98 -26.487  -0.166  -4.616
  752    H    GLU  99           H        GLU  99 -21.637   3.953  -6.485
  753    HA   GLU  99           HA       GLU  99 -21.313   1.436  -8.023
  754   1HB   GLU  99          2HB       GLU  99 -20.705   3.784  -8.885
  755   2HB   GLU  99          3HB       GLU  99 -19.357   3.770  -7.735
  756   1HG   GLU  99          2HG       GLU  99 -18.364   1.840  -8.830
  757   2HG   GLU  99          3HG       GLU  99 -19.790   1.632  -9.863
  758    H    LEU 100           H        LEU 100 -20.333   3.058  -5.068
  759    HA   LEU 100           HA       LEU 100 -17.881   1.736  -4.637
  760   1HB   LEU 100          2HB       LEU 100 -18.707   3.855  -3.590
  761   2HB   LEU 100          3HB       LEU 100 -19.775   2.941  -2.561
  762    HG   LEU 100           HG       LEU 100 -17.537   3.908  -1.714
  763   1HD1  LEU 100          1HD1      LEU 100 -17.268   2.128  -0.071
  764   2HD1  LEU 100          2HD1      LEU 100 -18.971   2.493  -0.363
  765   3HD1  LEU 100          3HD1      LEU 100 -18.250   1.036  -1.076
  766   1HD2  LEU 100          1HD2      LEU 100 -15.554   2.534  -1.845
  767   2HD2  LEU 100          2HD2      LEU 100 -16.368   1.354  -2.877
  768   3HD2  LEU 100          3HD2      LEU 100 -16.058   3.004  -3.474
  769    H    LEU 101           H        LEU 101 -21.195   0.854  -3.515
  770    HA   LEU 101           HA       LEU 101 -20.270  -1.314  -1.890
  771   1HB   LEU 101          2HB       LEU 101 -22.965  -0.518  -2.979
  772   2HB   LEU 101          3HB       LEU 101 -22.752  -2.149  -2.383
  773    HG   LEU 101           HG       LEU 101 -23.705  -0.719  -0.691
  774   1HD1  LEU 101          1HD1      LEU 101 -22.326  -1.317   1.173
  775   2HD1  LEU 101          2HD1      LEU 101 -22.176  -2.604  -0.025
  776   3HD1  LEU 101          3HD1      LEU 101 -20.868  -1.418   0.174
  777   1HD2  LEU 101          1HD2      LEU 101 -22.685   1.429  -1.397
  778   2HD2  LEU 101          2HD2      LEU 101 -22.552   1.126   0.344
  779   3HD2  LEU 101          3HD2      LEU 101 -21.128   0.904  -0.698
  780    HA   PRO 102           HA       PRO 102 -21.041  -4.137  -5.827
  781   1HB   PRO 102          2HB       PRO 102 -20.366  -1.920  -7.786
  782   2HB   PRO 102          3HB       PRO 102 -21.259  -3.442  -8.085
  783   1HG   PRO 102          2HG       PRO 102 -22.604  -1.124  -7.686
  784   2HG   PRO 102          3HG       PRO 102 -23.172  -2.632  -6.901
  785   1HD   PRO 102          2HD       PRO 102 -21.652  -0.344  -5.681
  786   2HD   PRO 102          3HD       PRO 102 -22.940  -1.364  -4.988
  787    H    LEU 103           H        LEU 103 -18.665  -1.375  -5.943
  788    HA   LEU 103           HA       LEU 103 -16.524  -2.985  -6.898
  789   1HB   LEU 103          2HB       LEU 103 -16.614  -0.543  -7.096
  790   2HB   LEU 103          3HB       LEU 103 -16.532  -0.369  -5.342
  791    HG   LEU 103           HG       LEU 103 -14.265  -1.271  -5.300
  792   1HD1  LEU 103          1HD1      LEU 103 -14.509  -1.518  -8.331
  793   2HD1  LEU 103          2HD1      LEU 103 -12.995  -1.659  -7.408
  794   3HD1  LEU 103          3HD1      LEU 103 -14.271  -2.850  -7.176
  795   1HD2  LEU 103          1HD2      LEU 103 -14.609   1.145  -5.646
  796   2HD2  LEU 103          2HD2      LEU 103 -13.147   0.579  -6.472
  797   3HD2  LEU 103          3HD2      LEU 103 -14.621   0.899  -7.407
  798    H    LEU 104           H        LEU 104 -17.544  -2.128  -3.545
  799    HA   LEU 104           HA       LEU 104 -15.341  -3.494  -2.283
  800   1HB   LEU 104          2HB       LEU 104 -18.114  -2.767  -1.276
  801   2HB   LEU 104          3HB       LEU 104 -16.876  -3.551  -0.298
  802    HG   LEU 104           HG       LEU 104 -16.573  -0.792  -1.549
  803   1HD1  LEU 104          1HD1      LEU 104 -16.791  -0.002   0.784
  804   2HD1  LEU 104          2HD1      LEU 104 -18.249  -0.888   0.293
  805   3HD1  LEU 104          3HD1      LEU 104 -17.043  -1.660   1.338
  806   1HD2  LEU 104          1HD2      LEU 104 -14.809  -2.300   0.416
  807   2HD2  LEU 104          2HD2      LEU 104 -14.375  -1.879  -1.256
  808   3HD2  LEU 104          3HD2      LEU 104 -14.600  -0.602  -0.062
  809    H    GLN 105           H        GLN 105 -18.622  -4.561  -3.270
  810    HA   GLN 105           HA       GLN 105 -18.445  -7.164  -2.121
  811   1HB   GLN 105          2HB       GLN 105 -20.016  -6.062  -4.492
  812   2HB   GLN 105          3HB       GLN 105 -20.187  -7.722  -3.908
  813   1HG   GLN 105          2HG       GLN 105 -20.859  -6.937  -1.697
  814   2HG   GLN 105          3HG       GLN 105 -20.557  -5.271  -2.150
  815   1HE2  GLN 105          2HE2      GLN 105 -22.733  -4.671  -1.625
  816   2HE2  GLN 105          1HE2      GLN 105 -24.064  -5.102  -2.678
  817    H    ASP 106           H        ASP 106 -17.520  -5.911  -5.325
  818    HA   ASP 106           HA       ASP 106 -16.556  -8.354  -6.424
  819   1HB   ASP 106          2HB       ASP 106 -17.054  -6.421  -7.777
  820   2HB   ASP 106          3HB       ASP 106 -15.824  -5.464  -6.956
  821    H    ALA 107           H        ALA 107 -14.932  -5.858  -4.418
  822    HA   ALA 107           HA       ALA 107 -12.389  -7.247  -4.359
  823   1HB   ALA 107          1HB       ALA 107 -13.515  -5.105  -2.504
  824   2HB   ALA 107          2HB       ALA 107 -11.812  -5.584  -2.658
  825   3HB   ALA 107          3HB       ALA 107 -12.637  -4.812  -4.025
  826    H    ALA 108           H        ALA 108 -15.297  -8.195  -3.083
  827    HA   ALA 108           HA       ALA 108 -16.075  -9.455  -1.448
  828   1HB   ALA 108          1HB       ALA 108 -13.280 -10.638  -1.267
  829   2HB   ALA 108          2HB       ALA 108 -14.794 -11.385  -0.723
  830   3HB   ALA 108          3HB       ALA 108 -14.524 -11.105  -2.451
  831    H    ALA 109           H        ALA 109 -15.104  -6.820  -0.719
  832    HA   ALA 109           HA       ALA 109 -13.741  -7.073   1.872
  833   1HB   ALA 109          1HB       ALA 109 -13.079  -5.352   0.210
  834   2HB   ALA 109          2HB       ALA 109 -14.704  -4.648   0.294
  835   3HB   ALA 109          3HB       ALA 109 -13.650  -4.621   1.724
  836    H    THR 110           H        THR 110 -17.110  -6.454   0.721
  837    HA   THR 110           HA       THR 110 -17.872  -5.245   3.235
  838    HB   THR 110           HB       THR 110 -20.206  -5.687   1.994
  839    HG1  THR 110           1HG      THR 110 -19.739  -6.712   0.245
  840   1HG2  THR 110          1HG2      THR 110 -19.613  -3.485   2.445
  841   2HG2  THR 110          2HG2      THR 110 -18.151  -3.565   1.463
  842   3HG2  THR 110          3HG2      THR 110 -19.749  -3.519   0.676
  843    H    ALA 111           H        ALA 111 -19.143  -6.184   4.745
  844    HA   ALA 111           HA       ALA 111 -19.145  -9.040   5.090
  845   1HB   ALA 111          1HB       ALA 111 -19.273  -7.385   6.896
  846   2HB   ALA 111          2HB       ALA 111 -20.839  -6.810   6.281
  847   3HB   ALA 111          3HB       ALA 111 -20.694  -8.466   6.939
  848    H    LYS 112           H        LYS 112 -21.343  -6.707   3.585
  849    HA   LYS 112           HA       LYS 112 -23.447  -8.620   2.941
  850   1HB   LYS 112          2HB       LYS 112 -23.850  -6.164   3.185
  851   2HB   LYS 112          3HB       LYS 112 -22.795  -5.856   1.795
  852   1HG   LYS 112          2HG       LYS 112 -24.341  -7.135   0.332
  853   2HG   LYS 112          3HG       LYS 112 -25.366  -7.499   1.735
  854   1HD   LYS 112          2HD       LYS 112 -25.782  -5.048   2.040
  855   2HD   LYS 112          3HD       LYS 112 -24.736  -4.714   0.659
  856   1HE   LYS 112          2HE       LYS 112 -26.984  -4.577  -0.126
  857   2HE   LYS 112          3HE       LYS 112 -26.274  -6.041  -0.810
  858   1HZ   LYS 112          1HZ       LYS 112 -28.096  -5.951   1.533
  859   2HZ   LYS 112          2HZ       LYS 112 -28.513  -6.412   0.031
  860   3HZ   LYS 112          3HZ       LYS 112 -27.468  -7.319   0.886
  861    H    ASN 113           H        ASN 113 -23.476  -9.899   1.203
  862    HA   ASN 113           HA       ASN 113 -22.597 -11.217  -0.436
  863   1HB   ASN 113          2HB       ASN 113 -24.266  -9.755  -1.448
  864   2HB   ASN 113          3HB       ASN 113 -23.018  -8.562  -1.816
  865   1HD2  ASN 113          2HD2      ASN 113 -22.889  -8.639  -4.090
  866   2HD2  ASN 113          1HD2      ASN 113 -22.484 -10.118  -4.960
  867    HA   PRO 114           HA       PRO 114 -18.131  -9.942  -0.662
  868   1HB   PRO 114          2HB       PRO 114 -17.019 -12.165   0.507
  869   2HB   PRO 114          3HB       PRO 114 -17.555 -10.730   1.431
  870   1HG   PRO 114          2HG       PRO 114 -19.071 -13.314   0.952
  871   2HG   PRO 114          3HG       PRO 114 -18.832 -12.441   2.500
  872   1HD   PRO 114          2HD       PRO 114 -21.109 -12.168   1.024
  873   2HD   PRO 114          3HD       PRO 114 -20.402 -10.787   1.915
  874    H    ALA 115           H        ALA 115 -20.213 -12.537  -1.656
  875    HA   ALA 115           HA       ALA 115 -18.375 -14.046  -3.239
  876   1HB   ALA 115          1HB       ALA 115 -21.417 -13.897  -3.371
  877   2HB   ALA 115          2HB       ALA 115 -20.389 -15.193  -4.012
  878   3HB   ALA 115          3HB       ALA 115 -20.483 -14.935  -2.264
  879    H    GLN 116           H        GLN 116 -18.746 -10.991  -3.797
  880    HA   GLN 116           HA       GLN 116 -18.598  -9.567  -5.473
  881   1HB   GLN 116          2HB       GLN 116 -18.057 -11.876  -7.367
  882   2HB   GLN 116          3HB       GLN 116 -17.669 -10.181  -7.582
  883   1HG   GLN 116          2HG       GLN 116 -15.625 -10.821  -6.887
  884   2HG   GLN 116          3HG       GLN 116 -16.296 -10.542  -5.291
  885   1HE2  GLN 116          2HE2      GLN 116 -16.273 -12.333  -3.823
  886   2HE2  GLN 116          1HE2      GLN 116 -15.777 -13.934  -4.321
  887    H    LEU 117           H        LEU 117 -19.456  -9.013  -7.832
  888    HA   LEU 117           HA       LEU 117 -22.287  -9.758  -8.081
  889   1HB   LEU 117          2HB       LEU 117 -22.242  -7.928  -6.392
  890   2HB   LEU 117          3HB       LEU 117 -21.269  -6.941  -7.485
  891    HG   LEU 117           HG       LEU 117 -23.137  -6.865  -9.115
  892   1HD1  LEU 117          1HD1      LEU 117 -25.406  -7.635  -8.397
  893   2HD1  LEU 117          2HD1      LEU 117 -24.295  -8.979  -8.647
  894   3HD1  LEU 117          3HD1      LEU 117 -24.672  -8.442  -6.995
  895   1HD2  LEU 117          1HD2      LEU 117 -23.946  -6.060  -6.290
  896   2HD2  LEU 117          2HD2      LEU 117 -22.902  -5.127  -7.381
  897   3HD2  LEU 117          3HD2      LEU 117 -24.597  -5.395  -7.805
  Start of MODEL   11
    1   1H    MET   1           H1       MET   1  24.961   3.698  -1.982
    2   2H    MET   1           H2       MET   1  24.750   2.257  -2.747
    3   3H    MET   1           H3       MET   1  25.051   3.619  -3.606
    4    HA   MET   1           HA       MET   1  22.778   3.061  -3.828
    5   1HB   MET   1          2HB       MET   1  21.252   2.973  -1.987
    6   2HB   MET   1          3HB       MET   1  22.542   1.817  -1.701
    7   1HG   MET   1          2HG       MET   1  23.600   3.382  -0.097
    8   2HG   MET   1          3HG       MET   1  22.327   4.567  -0.392
    9   1HE   MET   1          1HE       MET   1  19.925   4.472   0.513
   10   2HE   MET   1          2HE       MET   1  19.577   2.970  -0.374
   11   3HE   MET   1          3HE       MET   1  19.207   3.083   1.356
   12    H    ALA   2           H        ALA   2  20.883   4.703  -3.448
   13    HA   ALA   2           HA       ALA   2  21.706   7.412  -2.731
   14   1HB   ALA   2          1HB       ALA   2  20.685   6.704  -5.530
   15   2HB   ALA   2          2HB       ALA   2  20.935   8.346  -4.898
   16   3HB   ALA   2          3HB       ALA   2  22.324   7.276  -5.144
   17    H    SER   3           H        SER   3  19.664   8.830  -2.829
   18    HA   SER   3           HA       SER   3  17.703   7.733  -1.240
   19   1HB   SER   3          2HB       SER   3  17.319  10.112  -3.088
   20   2HB   SER   3          3HB       SER   3  16.576   9.846  -1.501
   21    HG   SER   3           HG       SER   3  18.595  10.122  -0.545
   22    H    LYS   4           H        LYS   4  17.769   7.671  -4.774
   23    HA   LYS   4           HA       LYS   4  15.021   7.116  -5.246
   24   1HB   LYS   4          2HB       LYS   4  16.735   7.671  -6.978
   25   2HB   LYS   4          3HB       LYS   4  17.446   6.061  -6.771
   26   1HG   LYS   4          2HG       LYS   4  15.330   5.019  -7.523
   27   2HG   LYS   4          3HG       LYS   4  14.568   6.620  -7.636
   28   1HD   LYS   4          2HD       LYS   4  16.208   7.274  -9.380
   29   2HD   LYS   4          3HD       LYS   4  16.976   5.674  -9.258
   30   1HE   LYS   4          2HE       LYS   4  14.833   4.599  -9.919
   31   2HE   LYS   4          3HE       LYS   4  14.069   6.190 -10.038
   32   1HZ   LYS   4          1HZ       LYS   4  15.623   6.729 -11.823
   33   2HZ   LYS   4          2HZ       LYS   4  16.332   5.259 -11.712
   34   3HZ   LYS   4          3HZ       LYS   4  14.782   5.386 -12.197
   35    H    GLN   5           H        GLN   5  17.652   4.990  -4.063
   36    HA   GLN   5           HA       GLN   5  16.185   2.535  -4.412
   37   1HB   GLN   5          2HB       GLN   5  18.673   2.740  -4.118
   38   2HB   GLN   5          3HB       GLN   5  18.407   3.192  -2.427
   39   1HG   GLN   5          2HG       GLN   5  17.298   1.001  -2.023
   40   2HG   GLN   5          3HG       GLN   5  17.552   0.557  -3.712
   41   1HE2  GLN   5          2HE2      GLN   5  18.798   0.074  -0.655
   42   2HE2  GLN   5          1HE2      GLN   5  20.455  -0.271  -1.074
   43    H    GLU   6           H        GLU   6  16.405   4.993  -1.775
   44    HA   GLU   6           HA       GLU   6  14.812   3.416   0.071
   45   1HB   GLU   6          2HB       GLU   6  15.445   6.399   0.023
   46   2HB   GLU   6          3HB       GLU   6  14.555   5.551   1.295
   47   1HG   GLU   6          2HG       GLU   6  16.575   4.037   1.586
   48   2HG   GLU   6          3HG       GLU   6  17.455   5.118   0.498
   49    H    LEU   7           H        LEU   7  14.105   5.956  -2.371
   50    HA   LEU   7           HA       LEU   7  11.343   6.218  -1.779
   51   1HB   LEU   7          2HB       LEU   7  12.655   7.746  -3.253
   52   2HB   LEU   7          3HB       LEU   7  12.779   6.462  -4.456
   53    HG   LEU   7           HG       LEU   7  10.288   6.464  -4.708
   54   1HD1  LEU   7          1HD1      LEU   7   9.032   8.441  -3.816
   55   2HD1  LEU   7          2HD1      LEU   7   9.571   7.345  -2.537
   56   3HD1  LEU   7          3HD1      LEU   7  10.445   8.866  -2.827
   57   1HD2  LEU   7          1HD2      LEU   7  11.735   7.767  -6.215
   58   2HD2  LEU   7          2HD2      LEU   7  10.180   8.573  -5.959
   59   3HD2  LEU   7          3HD2      LEU   7  11.635   9.165  -5.121
   60    H    ASP   8           H        ASP   8  13.077   3.948  -3.983
   61    HA   ASP   8           HA       ASP   8  10.720   2.595  -4.887
   62   1HB   ASP   8          2HB       ASP   8  12.840   2.459  -6.094
   63   2HB   ASP   8          3HB       ASP   8  13.620   1.688  -4.711
   64    H    ALA   9           H        ALA   9  12.930   1.968  -2.100
   65    HA   ALA   9           HA       ALA   9  11.622  -0.435  -1.295
   66   1HB   ALA   9          1HB       ALA   9  13.115   1.615   0.412
   67   2HB   ALA   9          2HB       ALA   9  12.721  -0.051   0.881
   68   3HB   ALA   9          3HB       ALA   9  13.852   0.246  -0.454
   69    H    ALA  10           H        ALA  10  11.028   3.016  -0.449
   70    HA   ALA  10           HA       ALA  10   8.862   2.518   1.339
   71   1HB   ALA  10          1HB       ALA  10   9.495   4.952  -0.384
   72   2HB   ALA  10          2HB       ALA  10   8.305   4.892   0.931
   73   3HB   ALA  10          3HB       ALA  10  10.026   4.662   1.285
   74    H    LEU  11           H        LEU  11   8.959   2.948  -2.252
   75    HA   LEU  11           HA       LEU  11   6.135   2.788  -2.626
   76   1HB   LEU  11          2HB       LEU  11   7.692   3.500  -4.409
   77   2HB   LEU  11          3HB       LEU  11   8.407   1.890  -4.447
   78    HG   LEU  11           HG       LEU  11   6.224   0.922  -5.186
   79   1HD1  LEU  11          1HD1      LEU  11   4.494   2.541  -6.050
   80   2HD1  LEU  11          2HD1      LEU  11   4.619   2.507  -4.291
   81   3HD1  LEU  11          3HD1      LEU  11   5.365   3.838  -5.203
   82   1HD2  LEU  11          1HD2      LEU  11   7.307   3.184  -6.896
   83   2HD2  LEU  11          2HD2      LEU  11   7.937   1.527  -6.817
   84   3HD2  LEU  11          3HD2      LEU  11   6.320   1.824  -7.475
   85    H    LYS  12           H        LYS  12   8.627   0.178  -2.505
   86    HA   LYS  12           HA       LYS  12   6.777  -1.931  -2.917
   87   1HB   LYS  12          2HB       LYS  12   9.260  -2.117  -3.048
   88   2HB   LYS  12          3HB       LYS  12   9.364  -1.951  -1.290
   89   1HG   LYS  12          2HG       LYS  12   8.063  -4.043  -1.004
   90   2HG   LYS  12          3HG       LYS  12   7.911  -4.187  -2.769
   91   1HD   LYS  12          2HD       LYS  12  10.389  -4.364  -2.965
   92   2HD   LYS  12          3HD       LYS  12  10.543  -4.134  -1.221
   93   1HE   LYS  12          2HE       LYS  12  10.791  -6.467  -1.651
   94   2HE   LYS  12          3HE       LYS  12   9.249  -6.228  -0.827
   95   1HZ   LYS  12          1HZ       LYS  12   9.066  -7.766  -2.686
   96   2HZ   LYS  12          2HZ       LYS  12   8.144  -6.459  -2.983
   97   3HZ   LYS  12          3HZ       LYS  12   9.581  -6.645  -3.747
   98    H    LYS  13           H        LYS  13   7.851  -0.365   0.152
   99    HA   LYS  13           HA       LYS  13   6.236  -1.961   1.851
  100   1HB   LYS  13          2HB       LYS  13   8.066  -0.458   2.628
  101   2HB   LYS  13          3HB       LYS  13   7.110   0.946   2.181
  102   1HG   LYS  13          2HG       LYS  13   7.016   0.574   4.584
  103   2HG   LYS  13          3HG       LYS  13   5.424   0.419   3.863
  104   1HD   LYS  13          2HD       LYS  13   5.751  -1.255   5.590
  105   2HD   LYS  13          3HD       LYS  13   5.546  -2.044   4.026
  106   1HE   LYS  13          2HE       LYS  13   8.013  -2.345   3.852
  107   2HE   LYS  13          3HE       LYS  13   8.230  -1.490   5.383
  108   1HZ   LYS  13          1HZ       LYS  13   7.012  -3.274   6.484
  109   2HZ   LYS  13          2HZ       LYS  13   6.802  -4.070   5.069
  110   3HZ   LYS  13          3HZ       LYS  13   8.295  -3.879   5.689
  111    H    ALA  14           H        ALA  14   5.441   1.156   0.169
  112    HA   ALA  14           HA       ALA  14   2.818   1.358   1.176
  113   1HB   ALA  14          1HB       ALA  14   2.390   2.870  -0.667
  114   2HB   ALA  14          2HB       ALA  14   4.021   3.174  -0.045
  115   3HB   ALA  14          3HB       ALA  14   3.801   2.270  -1.562
  116    H    LYS  15           H        LYS  15   3.990  -0.362  -1.794
  117    HA   LYS  15           HA       LYS  15   1.424  -1.255  -2.648
  118   1HB   LYS  15          2HB       LYS  15   4.228  -2.372  -3.025
  119   2HB   LYS  15          3HB       LYS  15   2.801  -3.117  -3.753
  120   1HG   LYS  15          2HG       LYS  15   2.306  -1.206  -5.073
  121   2HG   LYS  15          3HG       LYS  15   3.489  -0.192  -4.230
  122   1HD   LYS  15          2HD       LYS  15   5.338  -1.494  -5.094
  123   2HD   LYS  15          3HD       LYS  15   4.257  -2.682  -5.828
  124   1HE   LYS  15          2HE       LYS  15   4.254   0.273  -6.590
  125   2HE   LYS  15          3HE       LYS  15   5.302  -0.914  -7.372
  126   1HZ   LYS  15          1HZ       LYS  15   3.340  -2.131  -8.075
  127   2HZ   LYS  15          2HZ       LYS  15   2.342  -1.051  -7.359
  128   3HZ   LYS  15          3HZ       LYS  15   3.274  -0.603  -8.623
  129    H    GLU  16           H        GLU  16   3.796  -2.806  -0.427
  130    HA   GLU  16           HA       GLU  16   2.286  -5.170  -0.021
  131   1HB   GLU  16          2HB       GLU  16   4.705  -4.782   0.595
  132   2HB   GLU  16          3HB       GLU  16   4.169  -3.753   1.921
  133   1HG   GLU  16          2HG       GLU  16   4.656  -5.871   2.863
  134   2HG   GLU  16          3HG       GLU  16   2.906  -5.739   2.865
  135    H    LEU  17           H        LEU  17   2.366  -2.079   1.837
  136    HA   LEU  17           HA       LEU  17   0.398  -2.763   3.758
  137   1HB   LEU  17          2HB       LEU  17   1.278  -0.114   2.560
  138   2HB   LEU  17          3HB       LEU  17   0.059  -0.201   3.824
  139    HG   LEU  17           HG       LEU  17   2.844  -1.389   4.171
  140   1HD1  LEU  17          1HD1      LEU  17   3.037   1.030   3.739
  141   2HD1  LEU  17          2HD1      LEU  17   1.832   1.360   4.999
  142   3HD1  LEU  17          3HD1      LEU  17   3.405   0.659   5.430
  143   1HD2  LEU  17          1HD2      LEU  17   0.691  -0.612   6.187
  144   2HD2  LEU  17          2HD2      LEU  17   1.171  -2.272   5.748
  145   3HD2  LEU  17          3HD2      LEU  17   2.314  -1.217   6.578
  146    H    ALA  18           H        ALA  18   0.045  -1.193   0.554
  147    HA   ALA  18           HA       ALA  18  -2.739  -0.803   0.577
  148   1HB   ALA  18          1HB       ALA  18  -1.179   0.249  -1.039
  149   2HB   ALA  18          2HB       ALA  18  -0.902  -1.338  -1.791
  150   3HB   ALA  18          3HB       ALA  18  -2.509  -0.590  -1.854
  151    H    SER  19           H        SER  19  -1.001  -3.784   0.390
  152    HA   SER  19           HA       SER  19  -3.344  -5.223  -0.758
  153   1HB   SER  19          2HB       SER  19  -0.435  -6.100  -0.652
  154   2HB   SER  19          3HB       SER  19  -1.761  -6.845  -1.564
  155    HG   SER  19           HG       SER  19  -0.418  -4.390  -1.987
  156    H    SER  20           H        SER  20  -1.952  -4.515   2.211
  157    HA   SER  20           HA       SER  20  -1.937  -7.155   3.409
  158   1HB   SER  20          2HB       SER  20  -1.879  -4.349   4.585
  159   2HB   SER  20          3HB       SER  20  -1.627  -5.839   5.507
  160    HG   SER  20           HG       SER  20  -0.063  -5.138   3.224
  161    H    ALA  21           H        ALA  21  -4.489  -5.011   2.565
  162    HA   ALA  21           HA       ALA  21  -6.438  -6.745   3.858
  163   1HB   ALA  21          1HB       ALA  21  -6.380  -3.718   4.307
  164   2HB   ALA  21          2HB       ALA  21  -7.735  -4.763   4.738
  165   3HB   ALA  21          3HB       ALA  21  -6.180  -4.966   5.560
  166    HA   PRO  22           HA       PRO  22  -8.233  -5.952  -0.102
  167   1HB   PRO  22          2HB       PRO  22 -10.953  -5.964   0.276
  168   2HB   PRO  22          3HB       PRO  22  -9.928  -7.423   0.388
  169   1HG   PRO  22          2HG       PRO  22 -10.862  -5.644   2.669
  170   2HG   PRO  22          3HG       PRO  22 -10.978  -7.432   2.546
  171   1HD   PRO  22          2HD       PRO  22  -8.968  -6.275   3.899
  172   2HD   PRO  22          3HD       PRO  22  -8.632  -7.680   2.852
  173    H    VAL  23           H        VAL  23  -8.815  -3.611   2.443
  174    HA   VAL  23           HA       VAL  23  -9.076  -1.482   0.431
  175    HB   VAL  23           HB       VAL  23 -10.806  -1.684   2.924
  176   1HG1  VAL  23          1HG1      VAL  23 -10.308   0.635   2.473
  177   2HG1  VAL  23          2HG1      VAL  23 -10.679   0.445   0.754
  178   3HG1  VAL  23          3HG1      VAL  23 -11.969   0.325   1.965
  179   1HG2  VAL  23          1HG2      VAL  23 -12.749  -1.857   1.464
  180   2HG2  VAL  23          2HG2      VAL  23 -11.686  -2.002   0.040
  181   3HG2  VAL  23          3HG2      VAL  23 -11.674  -3.239   1.307
  182    H    VAL  24           H        VAL  24  -7.775   0.279   1.065
  183    HA   VAL  24           HA       VAL  24  -6.611   0.244   3.783
  184    HB   VAL  24           HB       VAL  24  -4.922   0.324   1.252
  185   1HG1  VAL  24          1HG1      VAL  24  -3.025   0.057   2.845
  186   2HG1  VAL  24          2HG1      VAL  24  -3.899   1.560   3.118
  187   3HG1  VAL  24          3HG1      VAL  24  -4.156   0.173   4.206
  188   1HG2  VAL  24          1HG2      VAL  24  -5.742  -1.957   1.479
  189   2HG2  VAL  24          2HG2      VAL  24  -4.078  -1.914   2.008
  190   3HG2  VAL  24          3HG2      VAL  24  -5.356  -1.962   3.217
  191    H    VAL  25           H        VAL  25  -6.192   2.287   4.536
  192    HA   VAL  25           HA       VAL  25  -6.717   4.606   2.739
  193    HB   VAL  25           HB       VAL  25  -7.523   4.292   5.662
  194   1HG1  VAL  25          1HG1      VAL  25  -8.902   6.295   5.202
  195   2HG1  VAL  25          2HG1      VAL  25  -7.190   6.626   4.916
  196   3HG1  VAL  25          3HG1      VAL  25  -8.274   6.344   3.540
  197   1HG2  VAL  25          1HG2      VAL  25  -8.881   2.715   4.374
  198   2HG2  VAL  25          2HG2      VAL  25  -9.852   4.096   4.869
  199   3HG2  VAL  25          3HG2      VAL  25  -9.274   3.985   3.192
  200    H    PHE  26           H        PHE  26  -4.627   5.281   2.385
  201    HA   PHE  26           HA       PHE  26  -2.690   5.543   4.599
  202   1HB   PHE  26          2HB       PHE  26  -2.660   6.581   1.740
  203   2HB   PHE  26          3HB       PHE  26  -1.331   6.699   2.880
  204    HD1  PHE  26           1HD      PHE  26  -3.129   4.515   0.561
  205    HD2  PHE  26           2HD      PHE  26  -0.133   4.596   3.657
  206    HE1  PHE  26           1HE      PHE  26  -2.327   2.275  -0.148
  207    HE2  PHE  26           2HE      PHE  26   0.670   2.369   2.944
  208    HZ   PHE  26           HZ       PHE  26  -0.432   1.201   1.049
  209    H    SER  27           H        SER  27  -2.530   7.418   5.848
  210    HA   SER  27           HA       SER  27  -3.872   9.905   5.082
  211   1HB   SER  27          2HB       SER  27  -5.316   9.754   7.184
  212   2HB   SER  27          3HB       SER  27  -5.787   8.739   5.820
  213    HG   SER  27           HG       SER  27  -4.816   6.969   6.826
  214    H    LYS  28           H        LYS  28  -3.882  11.191   7.572
  215    HA   LYS  28           HA       LYS  28  -1.299  10.553   8.871
  216   1HB   LYS  28          2HB       LYS  28  -2.236  13.383   8.228
  217   2HB   LYS  28          3HB       LYS  28  -0.834  12.931   9.197
  218   1HG   LYS  28          2HG       LYS  28   0.040  11.685   7.121
  219   2HG   LYS  28          3HG       LYS  28  -1.228  12.536   6.215
  220   1HD   LYS  28          2HD       LYS  28  -0.266  14.723   7.037
  221   2HD   LYS  28          3HD       LYS  28   0.994  13.811   7.877
  222   1HE   LYS  28          2HE       LYS  28   2.006  14.522   5.865
  223   2HE   LYS  28          3HE       LYS  28   1.656  12.807   5.641
  224   1HZ   LYS  28          1HZ       LYS  28   0.145  15.096   4.517
  225   2HZ   LYS  28          2HZ       LYS  28   1.002  13.962   3.692
  226   3HZ   LYS  28          3HZ       LYS  28  -0.379  13.539   4.425
  227    H    THR  29           H        THR  29  -1.412  12.159  11.005
  228    HA   THR  29           HA       THR  29  -3.252  10.693  12.588
  229    HB   THR  29           HB       THR  29  -2.054  12.327  14.341
  230    HG1  THR  29           1HG      THR  29  -0.165  13.168  13.524
  231   1HG2  THR  29          1HG2      THR  29  -0.624  10.198  12.690
  232   2HG2  THR  29          2HG2      THR  29  -0.060  10.836  14.254
  233   3HG2  THR  29          3HG2      THR  29  -1.588   9.948  14.157
  234    H    TYR  30           H        TYR  30  -4.040  13.444  10.835
  235    HA   TYR  30           HA       TYR  30  -5.880  14.425  12.976
  236   1HB   TYR  30          2HB       TYR  30  -5.305  16.706  12.272
  237   2HB   TYR  30          3HB       TYR  30  -3.906  15.834  12.872
  238    HD1  TYR  30           1HD      TYR  30  -1.982  15.397  11.452
  239    HD2  TYR  30           2HD      TYR  30  -5.597  17.062   9.772
  240    HE1  TYR  30           1HE      TYR  30  -0.792  15.842   9.326
  241    HE2  TYR  30           2HE      TYR  30  -4.441  17.438   7.627
  242    HH   TYR  30           HH       TYR  30  -2.420  17.314   6.473
  243    H    CYS  31           H        CYS  31  -5.671  13.409   9.627
  244    HA   CYS  31           HA       CYS  31  -7.296  15.202   8.400
  245   1HB   CYS  31          2HB       CYS  31  -7.332  12.286   7.683
  246   2HB   CYS  31          3HB       CYS  31  -7.303  13.698   6.613
  247    H    GLY  32           H        GLY  32  -9.266  15.869   9.146
  248   1HA   GLY  32          1HA       GLY  32 -11.352  14.238  10.207
  249   2HA   GLY  32          2HA       GLY  32 -11.542  15.819   9.421
  250    H    TYR  33           H        TYR  33 -10.249  14.853   6.894
  251    HA   TYR  33           HA       TYR  33 -12.498  13.602   5.589
  252   1HB   TYR  33          2HB       TYR  33  -9.636  14.139   4.718
  253   2HB   TYR  33          3HB       TYR  33 -10.871  13.440   3.682
  254    HD1  TYR  33           1HD      TYR  33 -13.158  14.794   3.506
  255    HD2  TYR  33           2HD      TYR  33  -9.370  16.499   4.698
  256    HE1  TYR  33           1HE      TYR  33 -13.986  17.047   2.906
  257    HE2  TYR  33           2HE      TYR  33 -10.191  18.751   4.101
  258    HH   TYR  33           HH       TYR  33 -11.973  20.006   3.274
  259    H    CYS  34           H        CYS  34  -9.477  12.311   7.084
  260    HA   CYS  34           HA       CYS  34  -9.920   9.645   5.981
  261   1HB   CYS  34          2HB       CYS  34  -7.674  10.366   6.805
  262   2HB   CYS  34          3HB       CYS  34  -8.320  10.381   8.467
  263    HG   CYS  34           HG       CYS  34  -6.846   8.173   7.856
  264    H    ASN  35           H        ASN  35 -10.739  11.341   9.089
  265    HA   ASN  35           HA       ASN  35 -12.223   9.233  10.240
  266   1HB   ASN  35          2HB       ASN  35 -11.910  11.165  11.569
  267   2HB   ASN  35          3HB       ASN  35 -12.594  12.233  10.349
  268   1HD2  ASN  35          2HD2      ASN  35 -14.719  12.835  10.619
  269   2HD2  ASN  35          1HD2      ASN  35 -15.882  11.962  11.574
  270    H    ARG  36           H        ARG  36 -13.389  11.612   7.775
  271    HA   ARG  36           HA       ARG  36 -16.007  10.485   7.585
  272   1HB   ARG  36          2HB       ARG  36 -14.309  12.032   5.594
  273   2HB   ARG  36          3HB       ARG  36 -15.957  11.515   5.232
  274   1HG   ARG  36          2HG       ARG  36 -16.913  12.835   6.945
  275   2HG   ARG  36          3HG       ARG  36 -15.371  13.078   7.767
  276   1HD   ARG  36          2HD       ARG  36 -14.553  14.476   5.901
  277   2HD   ARG  36          3HD       ARG  36 -16.051  14.179   5.012
  278    HE   ARG  36           HE       ARG  36 -17.085  15.796   6.205
  279   1HH1  ARG  36          1HH2      ARG  36 -14.241  14.831   8.137
  280   2HH1  ARG  36          2HH2      ARG  36 -14.424  16.133   9.264
  281   1HH2  ARG  36          1HH1      ARG  36 -17.306  17.491   7.720
  282   2HH2  ARG  36          2HH1      ARG  36 -16.199  17.659   9.027
  283    H    VAL  37           H        VAL  37 -13.034   9.605   5.675
  284    HA   VAL  37           HA       VAL  37 -14.370   7.609   4.136
  285    HB   VAL  37           HB       VAL  37 -11.451   7.953   4.935
  286   1HG1  VAL  37          1HG1      VAL  37 -12.616   5.987   2.910
  287   2HG1  VAL  37          2HG1      VAL  37 -10.891   6.373   3.119
  288   3HG1  VAL  37          3HG1      VAL  37 -11.765   5.569   4.412
  289   1HG2  VAL  37          1HG2      VAL  37 -11.245   8.686   2.565
  290   2HG2  VAL  37          2HG2      VAL  37 -12.994   8.461   2.352
  291   3HG2  VAL  37          3HG2      VAL  37 -12.391   9.705   3.452
  292    H    LYS  38           H        LYS  38 -12.572   7.293   7.245
  293    HA   LYS  38           HA       LYS  38 -12.897   4.537   7.663
  294   1HB   LYS  38          2HB       LYS  38 -12.990   6.829   9.672
  295   2HB   LYS  38          3HB       LYS  38 -12.898   5.136  10.119
  296   1HG   LYS  38          2HG       LYS  38 -10.675   4.925   9.061
  297   2HG   LYS  38          3HG       LYS  38 -10.736   6.597   8.512
  298   1HD   LYS  38          2HD       LYS  38 -10.997   7.335  10.910
  299   2HD   LYS  38          3HD       LYS  38 -10.822   5.646  11.416
  300   1HE   LYS  38          2HE       LYS  38  -8.556   5.592  10.389
  301   2HE   LYS  38          3HE       LYS  38  -8.741   7.278   9.895
  302   1HZ   LYS  38          1HZ       LYS  38  -8.903   7.870  12.253
  303   2HZ   LYS  38          2HZ       LYS  38  -8.680   6.310  12.694
  304   3HZ   LYS  38          3HZ       LYS  38  -7.482   7.132  11.939
  305    H    GLN  39           H        GLN  39 -15.197   7.187   8.607
  306    HA   GLN  39           HA       GLN  39 -17.159   5.330   9.573
  307   1HB   GLN  39          2HB       GLN  39 -17.377   8.249   8.729
  308   2HB   GLN  39          3HB       GLN  39 -18.716   7.300   9.394
  309   1HG   GLN  39          2HG       GLN  39 -17.303   6.803  11.427
  310   2HG   GLN  39          3HG       GLN  39 -16.076   7.894  10.797
  311   1HE2  GLN  39          2HE2      GLN  39 -16.158   9.649  12.221
  312   2HE2  GLN  39          1HE2      GLN  39 -17.643  10.471  12.674
  313    H    LEU  40           H        LEU  40 -16.687   6.796   6.313
  314    HA   LEU  40           HA       LEU  40 -19.121   5.941   5.154
  315   1HB   LEU  40          2HB       LEU  40 -17.333   7.494   4.177
  316   2HB   LEU  40          3HB       LEU  40 -16.388   6.061   3.812
  317    HG   LEU  40           HG       LEU  40 -18.385   5.269   2.364
  318   1HD1  LEU  40          1HD1      LEU  40 -19.839   7.132   1.545
  319   2HD1  LEU  40          2HD1      LEU  40 -20.155   6.712   3.233
  320   3HD1  LEU  40          3HD1      LEU  40 -19.213   8.168   2.837
  321   1HD2  LEU  40          1HD2      LEU  40 -16.897   7.804   1.621
  322   2HD2  LEU  40          2HD2      LEU  40 -16.316   6.137   1.426
  323   3HD2  LEU  40          3HD2      LEU  40 -17.713   6.688   0.496
  324    H    LEU  41           H        LEU  41 -15.940   4.308   5.346
  325    HA   LEU  41           HA       LEU  41 -16.750   1.884   4.056
  326   1HB   LEU  41          2HB       LEU  41 -14.445   2.568   5.920
  327   2HB   LEU  41          3HB       LEU  41 -14.612   1.012   5.115
  328    HG   LEU  41           HG       LEU  41 -14.398   3.671   3.634
  329   1HD1  LEU  41          1HD1      LEU  41 -12.091   3.007   3.139
  330   2HD1  LEU  41          2HD1      LEU  41 -12.342   3.139   4.888
  331   3HD1  LEU  41          3HD1      LEU  41 -12.284   1.540   4.125
  332   1HD2  LEU  41          1HD2      LEU  41 -13.894   2.216   1.668
  333   2HD2  LEU  41          2HD2      LEU  41 -14.304   0.787   2.643
  334   3HD2  LEU  41          3HD2      LEU  41 -15.540   2.006   2.261
  335    H    THR  42           H        THR  42 -16.585   2.828   7.521
  336    HA   THR  42           HA       THR  42 -17.301   0.308   8.598
  337    HB   THR  42           HB       THR  42 -17.945   3.114   9.617
  338    HG1  THR  42           1HG      THR  42 -15.755   2.847   9.365
  339   1HG2  THR  42          1HG2      THR  42 -17.813   0.456  11.112
  340   2HG2  THR  42          2HG2      THR  42 -17.925   2.061  11.873
  341   3HG2  THR  42          3HG2      THR  42 -19.256   1.468  10.874
  342    H    GLN  43           H        GLN  43 -19.382   3.010   7.417
  343    HA   GLN  43           HA       GLN  43 -21.819   1.855   8.336
  344   1HB   GLN  43          2HB       GLN  43 -21.159   3.954   6.248
  345   2HB   GLN  43          3HB       GLN  43 -22.825   3.450   6.548
  346   1HG   GLN  43          2HG       GLN  43 -22.768   4.147   8.837
  347   2HG   GLN  43          3HG       GLN  43 -21.024   4.395   8.810
  348   1HE2  GLN  43          2HE2      GLN  43 -20.170   6.092   7.376
  349   2HE2  GLN  43          1HE2      GLN  43 -21.133   7.539   7.077
  350    H    VAL  44           H        VAL  44 -20.113   1.466   5.185
  351    HA   VAL  44           HA       VAL  44 -22.291  -0.183   4.149
  352    HB   VAL  44           HB       VAL  44 -20.840  -0.540   2.215
  353   1HG1  VAL  44          1HG1      VAL  44 -20.938   2.386   3.083
  354   2HG1  VAL  44          2HG1      VAL  44 -20.788   1.776   1.429
  355   3HG1  VAL  44          3HG1      VAL  44 -22.272   1.468   2.351
  356   1HG2  VAL  44          1HG2      VAL  44 -18.700   0.643   1.981
  357   2HG2  VAL  44          2HG2      VAL  44 -18.781   1.158   3.666
  358   3HG2  VAL  44          3HG2      VAL  44 -18.616  -0.566   3.275
  359    H    GLY  45           H        GLY  45 -19.859  -0.823   6.437
  360   1HA   GLY  45          1HA       GLY  45 -19.378  -2.784   7.508
  361   2HA   GLY  45          2HA       GLY  45 -20.425  -3.672   6.387
  362    H    ALA  46           H        ALA  46 -17.719  -1.561   5.359
  363    HA   ALA  46           HA       ALA  46 -16.453  -3.792   3.928
  364   1HB   ALA  46          1HB       ALA  46 -15.676  -0.865   4.264
  365   2HB   ALA  46          2HB       ALA  46 -14.835  -2.039   3.238
  366   3HB   ALA  46          3HB       ALA  46 -16.507  -1.578   2.866
  367    H    SER  47           H        SER  47 -14.591  -4.738   4.499
  368    HA   SER  47           HA       SER  47 -13.387  -4.317   7.167
  369   1HB   SER  47          2HB       SER  47 -12.529  -6.217   4.937
  370   2HB   SER  47          3HB       SER  47 -12.174  -6.334   6.668
  371    HG   SER  47           HG       SER  47 -14.632  -6.720   5.299
  372    H    TYR  48           H        TYR  48 -11.512  -2.983   7.330
  373    HA   TYR  48           HA       TYR  48  -9.967  -2.418   4.904
  374   1HB   TYR  48          2HB       TYR  48 -10.254  -0.035   4.994
  375   2HB   TYR  48          3HB       TYR  48 -11.818  -0.794   4.810
  376    HD1  TYR  48           1HD      TYR  48  -9.654   1.182   7.056
  377    HD2  TYR  48           2HD      TYR  48 -13.526  -0.650   6.567
  378    HE1  TYR  48           1HE      TYR  48 -10.507   2.460   8.996
  379    HE2  TYR  48           2HE      TYR  48 -14.408   0.679   8.467
  380    HH   TYR  48           HH       TYR  48 -12.287   2.850  10.411
  381    H    LYS  49           H        LYS  49  -8.112  -0.991   5.381
  382    HA   LYS  49           HA       LYS  49  -7.051  -1.158   8.171
  383   1HB   LYS  49          2HB       LYS  49  -6.031  -2.885   6.757
  384   2HB   LYS  49          3HB       LYS  49  -5.699  -1.703   5.486
  385   1HG   LYS  49          2HG       LYS  49  -4.047  -0.579   6.928
  386   2HG   LYS  49          3HG       LYS  49  -4.417  -1.717   8.245
  387   1HD   LYS  49          2HD       LYS  49  -3.616  -3.596   6.811
  388   2HD   LYS  49          3HD       LYS  49  -3.338  -2.462   5.485
  389   1HE   LYS  49          2HE       LYS  49  -1.213  -2.911   6.501
  390   2HE   LYS  49          3HE       LYS  49  -1.659  -1.244   6.864
  391   1HZ   LYS  49          1HZ       LYS  49  -0.771  -2.410   8.803
  392   2HZ   LYS  49          2HZ       LYS  49  -2.310  -1.974   9.093
  393   3HZ   LYS  49          3HZ       LYS  49  -1.948  -3.531   8.741
  394    H    VAL  50           H        VAL  50  -5.507   0.580   8.627
  395    HA   VAL  50           HA       VAL  50  -5.710   2.934   6.839
  396    HB   VAL  50           HB       VAL  50  -6.025   2.983   9.863
  397   1HG1  VAL  50          1HG1      VAL  50  -6.623   5.353   9.550
  398   2HG1  VAL  50          2HG1      VAL  50  -5.036   5.062   8.863
  399   3HG1  VAL  50          3HG1      VAL  50  -6.441   5.197   7.791
  400   1HG2  VAL  50          1HG2      VAL  50  -8.380   3.694   9.457
  401   2HG2  VAL  50          2HG2      VAL  50  -8.181   3.305   7.734
  402   3HG2  VAL  50          3HG2      VAL  50  -8.076   2.033   8.975
  403    H    VAL  51           H        VAL  51  -3.810   4.185   6.877
  404    HA   VAL  51           HA       VAL  51  -1.580   3.318   8.634
  405    HB   VAL  51           HB       VAL  51  -1.252   3.915   5.665
  406   1HG1  VAL  51          1HG1      VAL  51   0.678   4.450   7.228
  407   2HG1  VAL  51          2HG1      VAL  51   0.723   2.736   7.674
  408   3HG1  VAL  51          3HG1      VAL  51   1.049   3.242   6.000
  409   1HG2  VAL  51          1HG2      VAL  51  -0.653   1.529   5.379
  410   2HG2  VAL  51          2HG2      VAL  51  -1.195   1.201   7.043
  411   3HG2  VAL  51          3HG2      VAL  51  -2.348   1.741   5.800
  412    H    GLU  52           H        GLU  52  -1.858   5.120   9.942
  413    HA   GLU  52           HA       GLU  52  -2.096   7.801   8.749
  414   1HB   GLU  52          2HB       GLU  52  -1.892   6.850  11.631
  415   2HB   GLU  52          3HB       GLU  52  -1.994   8.550  11.122
  416   1HG   GLU  52          2HG       GLU  52  -4.169   8.094  10.008
  417   2HG   GLU  52          3HG       GLU  52  -4.078   6.405  10.491
  418    H    LEU  53           H        LEU  53  -0.261   8.095   7.572
  419    HA   LEU  53           HA       LEU  53   2.190   6.899   7.830
  420   1HB   LEU  53          2HB       LEU  53   1.255   9.442   6.502
  421   2HB   LEU  53          3HB       LEU  53   2.982   9.173   6.642
  422    HG   LEU  53           HG       LEU  53   2.804   7.004   5.488
  423   1HD1  LEU  53          1HD1      LEU  53   0.501   6.352   5.901
  424   2HD1  LEU  53          2HD1      LEU  53  -0.108   7.793   5.055
  425   3HD1  LEU  53          3HD1      LEU  53   0.758   6.526   4.161
  426   1HD2  LEU  53          1HD2      LEU  53   1.635   9.387   3.985
  427   2HD2  LEU  53          2HD2      LEU  53   3.354   9.058   4.292
  428   3HD2  LEU  53          3HD2      LEU  53   2.426   7.976   3.246
  429    H    ASP  54           H        ASP  54   1.226   9.874   9.567
  430    HA   ASP  54           HA       ASP  54   3.866  10.703  10.210
  431   1HB   ASP  54          2HB       ASP  54   1.859  12.135  10.421
  432   2HB   ASP  54          3HB       ASP  54   1.292  11.142  11.764
  433    H    GLU  55           H        GLU  55   1.920   8.095  11.561
  434    HA   GLU  55           HA       GLU  55   3.566   7.846  13.999
  435   1HB   GLU  55          2HB       GLU  55   1.335   6.149  12.795
  436   2HB   GLU  55          3HB       GLU  55   2.159   5.757  14.297
  437   1HG   GLU  55          2HG       GLU  55   0.632   8.353  13.857
  438   2HG   GLU  55          3HG       GLU  55  -0.067   6.901  14.551
  439    H    LEU  56           H        LEU  56   3.777   6.853  10.678
  440    HA   LEU  56           HA       LEU  56   4.963   4.241  11.200
  441   1HB   LEU  56          2HB       LEU  56   3.577   4.773   9.163
  442   2HB   LEU  56          3HB       LEU  56   4.846   5.880   8.637
  443    HG   LEU  56           HG       LEU  56   6.455   3.951   8.546
  444   1HD1  LEU  56          1HD1      LEU  56   5.385   2.362  10.107
  445   2HD1  LEU  56          2HD1      LEU  56   3.957   2.270   9.054
  446   3HD1  LEU  56          3HD1      LEU  56   5.526   1.645   8.503
  447   1HD2  LEU  56          1HD2      LEU  56   5.302   4.766   6.562
  448   2HD2  LEU  56          2HD2      LEU  56   5.542   3.015   6.475
  449   3HD2  LEU  56          3HD2      LEU  56   3.935   3.668   6.871
  450    H    SER  57           H        SER  57   7.139   3.736  11.186
  451    HA   SER  57           HA       SER  57   9.027   5.565  11.972
  452   1HB   SER  57          2HB       SER  57   9.598   2.945  10.551
  453   2HB   SER  57          3HB       SER  57  10.548   3.718  11.834
  454    HG   SER  57           HG       SER  57   9.251   2.005  12.633
  455    H    ASP  58           H        ASP  58   8.020   5.052   8.662
  456    HA   ASP  58           HA       ASP  58  10.373   6.587   7.670
  457   1HB   ASP  58          2HB       ASP  58  10.517   4.094   7.267
  458   2HB   ASP  58          3HB       ASP  58   9.051   4.218   6.294
  459    H    GLY  59           H        GLY  59   7.573   7.287   8.482
  460   1HA   GLY  59          1HA       GLY  59   5.621   7.436   6.636
  461   2HA   GLY  59          2HA       GLY  59   5.927   8.702   7.830
  462    H    SER  60           H        SER  60   8.223   9.983   6.862
  463    HA   SER  60           HA       SER  60   7.157  11.633   4.860
  464   1HB   SER  60          2HB       SER  60  10.110  11.269   5.480
  465   2HB   SER  60          3HB       SER  60   9.300  12.735   4.901
  466    HG   SER  60           HG       SER  60   8.244  12.885   6.896
  467    H    GLN  61           H        GLN  61   9.413   8.851   4.507
  468    HA   GLN  61           HA       GLN  61   9.739   9.379   1.637
  469   1HB   GLN  61          2HB       GLN  61  10.563   6.937   3.236
  470   2HB   GLN  61          3HB       GLN  61  11.025   7.331   1.573
  471   1HG   GLN  61          2HG       GLN  61  11.991   9.528   2.519
  472   2HG   GLN  61          3HG       GLN  61  11.811   8.806   4.119
  473   1HE2  GLN  61          2HE2      GLN  61  12.912   6.551   4.378
  474   2HE2  GLN  61          1HE2      GLN  61  14.518   6.424   3.622
  475    H    LEU  62           H        LEU  62   7.685   7.389   3.750
  476    HA   LEU  62           HA       LEU  62   6.429   5.869   1.695
  477   1HB   LEU  62          2HB       LEU  62   6.340   5.862   4.404
  478   2HB   LEU  62          3HB       LEU  62   4.885   6.788   4.116
  479    HG   LEU  62           HG       LEU  62   4.385   4.466   4.456
  480   1HD1  LEU  62          1HD1      LEU  62   3.043   3.914   2.528
  481   2HD1  LEU  62          2HD1      LEU  62   2.976   5.663   2.790
  482   3HD1  LEU  62          3HD1      LEU  62   3.999   4.991   1.496
  483   1HD2  LEU  62          1HD2      LEU  62   6.538   3.482   3.764
  484   2HD2  LEU  62          2HD2      LEU  62   5.152   2.653   3.037
  485   3HD2  LEU  62          3HD2      LEU  62   6.123   3.761   2.059
  486    H    GLN  63           H        GLN  63   5.609   9.087   3.099
  487    HA   GLN  63           HA       GLN  63   3.393   9.681   1.429
  488   1HB   GLN  63          2HB       GLN  63   3.841  11.040   3.378
  489   2HB   GLN  63          3HB       GLN  63   5.470  11.398   2.839
  490   1HG   GLN  63          2HG       GLN  63   4.153  13.352   2.576
  491   2HG   GLN  63          3HG       GLN  63   4.560  12.777   0.973
  492   1HE2  GLN  63          2HE2      GLN  63   2.786  11.678  -0.300
  493   2HE2  GLN  63          1HE2      GLN  63   1.135  12.208   0.048
  494    H    SER  64           H        SER  64   6.915  10.206   0.964
  495    HA   SER  64           HA       SER  64   6.690  11.582  -1.518
  496   1HB   SER  64          2HB       SER  64   8.975   9.816  -0.539
  497   2HB   SER  64          3HB       SER  64   9.058  11.054  -1.798
  498    HG   SER  64           HG       SER  64   8.486  11.457   0.979
  499    H    ALA  65           H        ALA  65   7.039   8.062  -0.801
  500    HA   ALA  65           HA       ALA  65   7.023   7.181  -3.503
  501   1HB   ALA  65          1HB       ALA  65   6.052   5.768  -0.979
  502   2HB   ALA  65          2HB       ALA  65   6.363   5.014  -2.554
  503   3HB   ALA  65          3HB       ALA  65   7.704   5.739  -1.649
  504    H    LEU  66           H        LEU  66   4.314   7.710  -1.173
  505    HA   LEU  66           HA       LEU  66   2.224   6.878  -2.869
  506   1HB   LEU  66          2HB       LEU  66   2.496   8.442  -0.385
  507   2HB   LEU  66          3HB       LEU  66   1.237   9.108  -1.393
  508    HG   LEU  66           HG       LEU  66   0.359   7.537   0.226
  509   1HD1  LEU  66          1HD1      LEU  66  -0.795   7.772  -1.963
  510   2HD1  LEU  66          2HD1      LEU  66   0.092   6.356  -2.569
  511   3HD1  LEU  66          3HD1      LEU  66  -1.030   6.185  -1.207
  512   1HD2  LEU  66          1HD2      LEU  66   0.854   5.166   0.201
  513   2HD2  LEU  66          2HD2      LEU  66   1.964   5.359  -1.174
  514   3HD2  LEU  66          3HD2      LEU  66   2.353   6.096   0.390
  515    H    ALA  67           H        ALA  67   3.760  10.122  -2.612
  516    HA   ALA  67           HA       ALA  67   2.009  11.318  -4.532
  517   1HB   ALA  67          1HB       ALA  67   4.851  12.109  -3.729
  518   2HB   ALA  67          2HB       ALA  67   3.685  13.138  -4.587
  519   3HB   ALA  67          3HB       ALA  67   3.362  12.639  -2.915
  520    H    HIS  68           H        HIS  68   5.256   9.877  -4.873
  521    HA   HIS  68           HA       HIS  68   5.581  10.231  -7.654
  522   1HB   HIS  68          2HB       HIS  68   7.483   9.558  -6.513
  523   2HB   HIS  68          3HB       HIS  68   6.624   8.399  -5.515
  524    HD1  HIS  68           1HD      HIS  68   8.259   8.546  -8.992
  525    HD2  HIS  68           2HD      HIS  68   6.298   5.946  -6.318
  526    HE1  HIS  68           1HE      HIS  68   8.591   6.196  -9.916
  527    H    TRP  69           H        TRP  69   3.955   7.582  -5.849
  528    HA   TRP  69           HA       TRP  69   3.521   5.950  -8.138
  529   1HB   TRP  69          2HB       TRP  69   3.721   5.243  -5.759
  530   2HB   TRP  69          3HB       TRP  69   2.168   5.969  -5.406
  531    HD1  TRP  69           HD1      TRP  69   2.148   4.008  -8.631
  532    HE1  TRP  69           HE1      TRP  69   1.044   1.763  -8.302
  533    HE3  TRP  69           HE3      TRP  69   1.948   3.976  -3.515
  534    HZ2  TRP  69           HZ2      TRP  69   0.081   0.132  -6.081
  535    HZ3  TRP  69           HZ3      TRP  69   0.914   2.051  -2.320
  536    HH2  TRP  69           HH2      TRP  69  -0.021   0.142  -3.596
  537    H    THR  70           H        THR  70   1.306   8.104  -6.262
  538    HA   THR  70           HA       THR  70  -0.915   7.382  -8.024
  539    HB   THR  70           HB       THR  70  -2.260   8.699  -6.475
  540    HG1  THR  70           1HG      THR  70   0.127   9.207  -5.017
  541   1HG2  THR  70          1HG2      THR  70  -1.663   6.369  -5.856
  542   2HG2  THR  70          2HG2      THR  70  -0.279   6.966  -4.930
  543   3HG2  THR  70          3HG2      THR  70  -1.922   7.418  -4.443
  544    H    GLY  71           H        GLY  71   1.413   9.993  -7.857
  545   1HA   GLY  71          1HA       GLY  71   1.704  11.810  -9.214
  546   2HA   GLY  71          2HA       GLY  71   0.236  11.404 -10.121
  547    H    ARG  72           H        ARG  72  -0.267  11.477  -6.677
  548    HA   ARG  72           HA       ARG  72  -0.982  14.348  -6.654
  549   1HB   ARG  72          2HB       ARG  72  -3.268  13.840  -5.775
  550   2HB   ARG  72          3HB       ARG  72  -3.009  13.506  -7.481
  551   1HG   ARG  72          2HG       ARG  72  -2.798  11.083  -7.009
  552   2HG   ARG  72          3HG       ARG  72  -3.087  11.379  -5.288
  553   1HD   ARG  72          2HD       ARG  72  -5.031  12.175  -7.496
  554   2HD   ARG  72          3HD       ARG  72  -5.081  10.611  -6.667
  555    HE   ARG  72           HE       ARG  72  -5.057  12.488  -4.619
  556   1HH1  ARG  72          1HH2      ARG  72  -7.269  11.797  -7.321
  557   2HH1  ARG  72          2HH2      ARG  72  -8.662  12.366  -6.482
  558   1HH2  ARG  72          1HH1      ARG  72  -6.812  13.231  -3.554
  559   2HH2  ARG  72          2HH1      ARG  72  -8.395  13.278  -4.274
  560    H    GLY  73           H        GLY  73  -0.826  11.286  -4.755
  561   1HA   GLY  73          1HA       GLY  73  -0.079  10.893  -2.657
  562   2HA   GLY  73          2HA       GLY  73   0.871  12.380  -2.813
  563    H    THR  74           H        THR  74  -2.646  12.712  -2.973
  564    HA   THR  74           HA       THR  74  -2.747  14.442  -0.707
  565    HB   THR  74           HB       THR  74  -5.290  14.072  -1.155
  566    HG1  THR  74           1HG      THR  74  -5.063  12.066  -2.231
  567   1HG2  THR  74          1HG2      THR  74  -3.512  15.017  -3.446
  568   2HG2  THR  74          2HG2      THR  74  -5.238  15.387  -3.228
  569   3HG2  THR  74          3HG2      THR  74  -4.050  15.992  -2.059
  570    H    VAL  75           H        VAL  75  -4.294  14.049   1.169
  571    HA   VAL  75           HA       VAL  75  -4.556  11.205   1.873
  572    HB   VAL  75           HB       VAL  75  -4.239  11.847   4.274
  573   1HG1  VAL  75          1HG1      VAL  75  -1.833  11.468   4.183
  574   2HG1  VAL  75          2HG1      VAL  75  -2.630  10.502   2.941
  575   3HG1  VAL  75          3HG1      VAL  75  -1.778  11.986   2.481
  576   1HG2  VAL  75          1HG2      VAL  75  -2.713  14.243   3.157
  577   2HG2  VAL  75          2HG2      VAL  75  -4.262  14.332   4.024
  578   3HG2  VAL  75          3HG2      VAL  75  -2.836  13.729   4.858
  579    HA   PRO  76           HA       PRO  76  -5.790   9.988   3.328
  580   1HB   PRO  76          2HB       PRO  76  -8.110   8.586   2.974
  581   2HB   PRO  76          3HB       PRO  76  -7.715   9.451   4.492
  582   1HG   PRO  76          2HG       PRO  76  -9.424  10.395   2.177
  583   2HG   PRO  76          3HG       PRO  76  -9.803  10.439   3.926
  584   1HD   PRO  76          2HD       PRO  76  -8.798  12.622   2.585
  585   2HD   PRO  76          3HD       PRO  76  -8.321  12.270   4.276
  586    H    ASN  77           H        ASN  77  -5.474   8.192   1.901
  587    HA   ASN  77           HA       ASN  77  -6.132   8.616  -0.986
  588   1HB   ASN  77          2HB       ASN  77  -3.597   8.893   0.105
  589   2HB   ASN  77          3HB       ASN  77  -3.605   7.185  -0.272
  590   1HD2  ASN  77          2HD2      ASN  77  -2.961  10.208  -1.535
  591   2HD2  ASN  77          1HD2      ASN  77  -2.962   9.760  -3.243
  592    H    VAL  78           H        VAL  78  -7.519   6.967  -1.515
  593    HA   VAL  78           HA       VAL  78  -7.577   4.648   0.333
  594    HB   VAL  78           HB       VAL  78  -9.810   5.606  -1.490
  595   1HG1  VAL  78          1HG1      VAL  78 -10.088   3.300  -0.748
  596   2HG1  VAL  78          2HG1      VAL  78  -9.659   3.728   0.920
  597   3HG1  VAL  78          3HG1      VAL  78 -11.177   4.299   0.221
  598   1HG2  VAL  78          1HG2      VAL  78 -10.819   6.603   0.583
  599   2HG2  VAL  78          2HG2      VAL  78  -9.279   6.334   1.426
  600   3HG2  VAL  78          3HG2      VAL  78  -9.375   7.457   0.050
  601    H    PHE  79           H        PHE  79  -7.373   2.637  -0.377
  602    HA   PHE  79           HA       PHE  79  -6.988   2.085  -3.276
  603   1HB   PHE  79          2HB       PHE  79  -5.336   1.211  -0.861
  604   2HB   PHE  79          3HB       PHE  79  -5.295   0.368  -2.397
  605    HD1  PHE  79           1HD      PHE  79  -4.865   3.906  -1.086
  606    HD2  PHE  79           2HD      PHE  79  -3.542   0.857  -3.842
  607    HE1  PHE  79           1HE      PHE  79  -3.095   5.412  -1.912
  608    HE2  PHE  79           2HE      PHE  79  -1.753   2.371  -4.632
  609    HZ   PHE  79           HZ       PHE  79  -1.505   4.639  -3.661
  610    H    ILE  80           H        ILE  80  -7.795   0.060  -3.901
  611    HA   ILE  80           HA       ILE  80  -8.996  -1.686  -1.858
  612    HB   ILE  80           HB       ILE  80 -10.527  -0.602  -4.265
  613   1HG1  ILE  80          2HG1      ILE  80 -10.988  -0.371  -1.270
  614   2HG1  ILE  80          3HG1      ILE  80 -10.547   0.939  -2.348
  615   1HG2  ILE  80          1HG2      ILE  80 -12.360  -2.122  -3.561
  616   2HG2  ILE  80          2HG2      ILE  80 -10.931  -3.006  -4.030
  617   3HG2  ILE  80          3HG2      ILE  80 -11.312  -2.801  -2.303
  618   1HD1  ILE  80          1HD1      ILE  80 -12.740   0.732  -3.496
  619   2HD1  ILE  80          2HD1      ILE  80 -13.221  -0.496  -2.300
  620   3HD1  ILE  80          3HD1      ILE  80 -12.855   1.153  -1.780
  621    H    GLY  81           H        GLY  81  -8.636  -3.803  -2.395
  622   1HA   GLY  81          1HA       GLY  81  -7.589  -5.573  -3.390
  623   2HA   GLY  81          2HA       GLY  81  -8.240  -4.941  -4.911
  624    H    GLY  82           H        GLY  82  -5.820  -3.239  -2.876
  625   1HA   GLY  82          1HA       GLY  82  -3.617  -2.750  -3.216
  626   2HA   GLY  82          2HA       GLY  82  -3.519  -4.083  -4.367
  627    H    LYS  83           H        LYS  83  -5.957  -1.642  -5.116
  628    HA   LYS  83           HA       LYS  83  -4.081  -0.277  -7.003
  629   1HB   LYS  83          2HB       LYS  83  -5.573  -1.956  -8.112
  630   2HB   LYS  83          3HB       LYS  83  -6.984  -1.099  -7.472
  631   1HG   LYS  83          2HG       LYS  83  -6.334   0.925  -8.758
  632   2HG   LYS  83          3HG       LYS  83  -4.896   0.078  -9.363
  633   1HD   LYS  83          2HD       LYS  83  -6.366  -1.593 -10.485
  634   2HD   LYS  83          3HD       LYS  83  -7.787  -0.787  -9.817
  635   1HE   LYS  83          2HE       LYS  83  -7.587  -0.082 -12.087
  636   2HE   LYS  83          3HE       LYS  83  -7.189   1.295 -11.058
  637   1HZ   LYS  83          1HZ       LYS  83  -4.838   0.860 -11.511
  638   2HZ   LYS  83          2HZ       LYS  83  -5.213  -0.439 -12.437
  639   3HZ   LYS  83          3HZ       LYS  83  -5.648   1.056 -12.908
  640    H    GLN  84           H        GLN  84  -4.276   1.982  -7.014
  641    HA   GLN  84           HA       GLN  84  -5.646   3.180  -4.791
  642   1HB   GLN  84          2HB       GLN  84  -3.500   3.977  -5.921
  643   2HB   GLN  84          3HB       GLN  84  -4.475   4.602  -7.229
  644   1HG   GLN  84          2HG       GLN  84  -5.286   5.373  -4.411
  645   2HG   GLN  84          3HG       GLN  84  -3.750   5.967  -4.969
  646   1HE2  GLN  84          2HE2      GLN  84  -4.927   8.013  -4.493
  647   2HE2  GLN  84          1HE2      GLN  84  -5.764   8.778  -5.845
  648    H    ILE  85           H        ILE  85  -7.587   4.268  -4.747
  649    HA   ILE  85           HA       ILE  85  -9.308   4.066  -7.183
  650    HB   ILE  85           HB       ILE  85 -10.051   4.277  -4.239
  651   1HG1  ILE  85          2HG1      ILE  85  -9.158   2.090  -4.549
  652   2HG1  ILE  85          3HG1      ILE  85 -10.902   1.956  -4.504
  653   1HG2  ILE  85          1HG2      ILE  85 -12.356   3.752  -5.011
  654   2HG2  ILE  85          2HG2      ILE  85 -11.777   5.310  -5.604
  655   3HG2  ILE  85          3HG2      ILE  85 -11.810   3.913  -6.697
  656   1HD1  ILE  85          1HD1      ILE  85 -10.052   0.458  -6.200
  657   2HD1  ILE  85          2HD1      ILE  85 -10.907   1.769  -7.031
  658   3HD1  ILE  85          3HD1      ILE  85  -9.131   1.746  -6.977
  659    H    GLY  86           H        GLY  86  -8.403   6.265  -4.422
  660   1HA   GLY  86          1HA       GLY  86  -8.107   8.605  -5.831
  661   2HA   GLY  86          2HA       GLY  86  -9.848   8.470  -5.595
  662    H    GLY  87           H        GLY  87  -9.887  10.263  -4.233
  663   1HA   GLY  87          1HA       GLY  87  -8.577  10.004  -1.553
  664   2HA   GLY  87          2HA       GLY  87  -9.118  11.514  -2.289
  665    H    CYS  88           H        CYS  88 -10.195  11.590  -0.110
  666    HA   CYS  88           HA       CYS  88 -12.353  10.004   0.713
  667   1HB   CYS  88          2HB       CYS  88 -13.111  12.229   1.798
  668   2HB   CYS  88          3HB       CYS  88 -11.523  11.608   2.251
  669    HG   CYS  88           HG       CYS  88 -11.507  14.276   2.000
  670    H    ASP  89           H        ASP  89 -12.433  12.947  -1.333
  671    HA   ASP  89           HA       ASP  89 -15.208  13.006  -1.753
  672   1HB   ASP  89          2HB       ASP  89 -13.729  14.863  -2.340
  673   2HB   ASP  89          3HB       ASP  89 -12.937  13.886  -3.580
  674    H    THR  90           H        THR  90 -12.684  11.183  -3.568
  675    HA   THR  90           HA       THR  90 -14.359  10.325  -5.661
  676    HB   THR  90           HB       THR  90 -12.061   8.717  -4.494
  677    HG1  THR  90           1HG      THR  90 -11.887  11.055  -6.094
  678   1HG2  THR  90          1HG2      THR  90 -13.183   9.117  -7.292
  679   2HG2  THR  90          2HG2      THR  90 -11.622   8.336  -6.967
  680   3HG2  THR  90          3HG2      THR  90 -13.114   7.620  -6.336
  681    H    VAL  91           H        VAL  91 -13.593   8.697  -2.476
  682    HA   VAL  91           HA       VAL  91 -15.327   6.493  -3.202
  683    HB   VAL  91           HB       VAL  91 -15.082   5.762  -0.846
  684   1HG1  VAL  91          1HG1      VAL  91 -13.567   5.069  -2.708
  685   2HG1  VAL  91          2HG1      VAL  91 -12.464   6.400  -2.288
  686   3HG1  VAL  91          3HG1      VAL  91 -12.770   5.083  -1.136
  687   1HG2  VAL  91          1HG2      VAL  91 -14.686   7.968   0.263
  688   2HG2  VAL  91          2HG2      VAL  91 -13.438   6.766   0.616
  689   3HG2  VAL  91          3HG2      VAL  91 -13.106   8.062  -0.544
  690    H    VAL  92           H        VAL  92 -15.910   9.559  -1.411
  691    HA   VAL  92           HA       VAL  92 -18.527   8.763  -0.532
  692    HB   VAL  92           HB       VAL  92 -17.202  11.467  -1.015
  693   1HG1  VAL  92          1HG1      VAL  92 -19.573  11.916  -1.194
  694   2HG1  VAL  92          2HG1      VAL  92 -19.931  10.910   0.230
  695   3HG1  VAL  92          3HG1      VAL  92 -19.037  12.439   0.397
  696   1HG2  VAL  92          1HG2      VAL  92 -17.943  10.019   1.573
  697   2HG2  VAL  92          2HG2      VAL  92 -16.314  10.050   0.874
  698   3HG2  VAL  92          3HG2      VAL  92 -17.057  11.551   1.426
  699    H    GLU  93           H        GLU  93 -17.338  10.299  -3.605
  700    HA   GLU  93           HA       GLU  93 -19.964  10.559  -4.757
  701   1HB   GLU  93          2HB       GLU  93 -17.152  10.450  -5.908
  702   2HB   GLU  93          3HB       GLU  93 -18.573  10.527  -6.943
  703   1HG   GLU  93          2HG       GLU  93 -17.904  12.563  -4.777
  704   2HG   GLU  93          3HG       GLU  93 -17.606  12.766  -6.509
  705    H    LYS  94           H        LYS  94 -17.473   7.955  -5.095
  706    HA   LYS  94           HA       LYS  94 -19.137   6.319  -6.755
  707   1HB   LYS  94          2HB       LYS  94 -16.840   5.619  -4.888
  708   2HB   LYS  94          3HB       LYS  94 -17.611   4.461  -5.985
  709   1HG   LYS  94          2HG       LYS  94 -16.965   5.767  -7.942
  710   2HG   LYS  94          3HG       LYS  94 -16.336   7.058  -6.930
  711   1HD   LYS  94          2HD       LYS  94 -14.411   5.891  -7.604
  712   2HD   LYS  94          3HD       LYS  94 -14.691   5.394  -5.944
  713   1HE   LYS  94          2HE       LYS  94 -14.153   3.391  -7.020
  714   2HE   LYS  94          3HE       LYS  94 -15.915   3.325  -6.932
  715   1HZ   LYS  94          1HZ       LYS  94 -15.057   2.711  -9.130
  716   2HZ   LYS  94          2HZ       LYS  94 -15.987   4.044  -9.274
  717   3HZ   LYS  94          3HZ       LYS  94 -14.351   4.165  -9.319
  718    H    HIS  95           H        HIS  95 -19.083   6.669  -3.178
  719    HA   HIS  95           HA       HIS  95 -20.835   4.444  -2.719
  720   1HB   HIS  95          2HB       HIS  95 -19.523   5.455  -0.907
  721   2HB   HIS  95          3HB       HIS  95 -20.388   6.980  -1.093
  722    HD1  HIS  95           1HD      HIS  95 -21.673   3.308  -0.587
  723    HD2  HIS  95           2HD      HIS  95 -22.143   7.256   0.789
  724    HE1  HIS  95           1HE      HIS  95 -23.533   3.244   1.139
  725    H    GLN  96           H        GLN  96 -21.517   7.999  -3.081
  726    HA   GLN  96           HA       GLN  96 -24.333   7.788  -2.897
  727   1HB   GLN  96          2HB       GLN  96 -22.572   9.686  -4.495
  728   2HB   GLN  96          3HB       GLN  96 -24.314   9.890  -4.349
  729   1HG   GLN  96          2HG       GLN  96 -24.207  10.341  -2.010
  730   2HG   GLN  96          3HG       GLN  96 -22.530   9.794  -1.890
  731   1HE2  GLN  96          2HE2      GLN  96 -20.868  11.012  -2.916
  732   2HE2  GLN  96          1HE2      GLN  96 -21.085  12.641  -3.559
  733    H    ARG  97           H        ARG  97 -22.167   7.427  -5.707
  734    HA   ARG  97           HA       ARG  97 -24.302   7.063  -7.635
  735   1HB   ARG  97          2HB       ARG  97 -21.274   6.734  -7.757
  736   2HB   ARG  97          3HB       ARG  97 -22.329   6.609  -9.168
  737   1HG   ARG  97          2HG       ARG  97 -23.020   8.891  -9.032
  738   2HG   ARG  97          3HG       ARG  97 -22.360   9.097  -7.411
  739   1HD   ARG  97          2HD       ARG  97 -20.058   8.750  -8.314
  740   2HD   ARG  97          3HD       ARG  97 -20.730   8.722  -9.949
  741    HE   ARG  97           HE       ARG  97 -20.554  11.026  -8.060
  742   1HH1  ARG  97          1HH1      ARG  97 -21.636   9.970 -11.291
  743   2HH1  ARG  97          2HH1      ARG  97 -21.841  11.585 -11.862
  744   1HH2  ARG  97          1HH2      ARG  97 -20.805  13.008  -8.746
  745   2HH2  ARG  97          2HH2      ARG  97 -21.342  13.420 -10.365
  746    H    ASN  98           H        ASN  98 -23.433   4.991  -5.250
  747    HA   ASN  98           HA       ASN  98 -23.449   2.811  -4.869
  748   1HB   ASN  98          2HB       ASN  98 -25.838   3.202  -5.416
  749   2HB   ASN  98          3HB       ASN  98 -25.517   2.698  -7.079
  750   1HD2  ASN  98          2HD2      ASN  98 -26.769   0.766  -7.088
  751   2HD2  ASN  98          1HD2      ASN  98 -26.428  -0.587  -6.040
  752    H    GLU  99           H        GLU  99 -21.300   3.524  -6.317
  753    HA   GLU  99           HA       GLU  99 -20.797   1.220  -8.157
  754   1HB   GLU  99          2HB       GLU  99 -20.723   3.534  -9.130
  755   2HB   GLU  99          3HB       GLU  99 -19.389   3.914  -8.031
  756   1HG   GLU  99          2HG       GLU  99 -18.043   2.088  -9.055
  757   2HG   GLU  99          3HG       GLU  99 -19.396   1.680 -10.116
  758    H    LEU 100           H        LEU 100 -19.738   3.036  -5.292
  759    HA   LEU 100           HA       LEU 100 -17.276   1.650  -4.858
  760   1HB   LEU 100          2HB       LEU 100 -17.959   3.749  -3.660
  761   2HB   LEU 100          3HB       LEU 100 -19.200   2.827  -2.805
  762    HG   LEU 100           HG       LEU 100 -17.404   1.437  -1.762
  763   1HD1  LEU 100          1HD1      LEU 100 -15.051   2.289  -1.853
  764   2HD1  LEU 100          2HD1      LEU 100 -15.596   1.620  -3.388
  765   3HD1  LEU 100          3HD1      LEU 100 -15.524   3.387  -3.168
  766   1HD2  LEU 100          1HD2      LEU 100 -16.587   3.184  -0.223
  767   2HD2  LEU 100          2HD2      LEU 100 -17.138   4.437  -1.357
  768   3HD2  LEU 100          3HD2      LEU 100 -18.311   3.359  -0.569
  769    H    LEU 101           H        LEU 101 -20.680   0.855  -4.025
  770    HA   LEU 101           HA       LEU 101 -20.000  -1.308  -2.301
  771   1HB   LEU 101          2HB       LEU 101 -22.524  -0.427  -3.663
  772   2HB   LEU 101          3HB       LEU 101 -22.439  -2.093  -3.122
  773    HG   LEU 101           HG       LEU 101 -23.524  -0.676  -1.486
  774   1HD1  LEU 101          1HD1      LEU 101 -22.389  -1.409   0.500
  775   2HD1  LEU 101          2HD1      LEU 101 -22.211  -2.670  -0.727
  776   3HD1  LEU 101          3HD1      LEU 101 -20.847  -1.597  -0.350
  777   1HD2  LEU 101          1HD2      LEU 101 -22.409   1.048  -0.243
  778   2HD2  LEU 101          2HD2      LEU 101 -20.885   0.797  -1.128
  779   3HD2  LEU 101          3HD2      LEU 101 -22.323   1.437  -1.969
  780    HA   PRO 102           HA       PRO 102 -20.441  -4.273  -6.160
  781   1HB   PRO 102          2HB       PRO 102 -19.641  -2.167  -8.196
  782   2HB   PRO 102          3HB       PRO 102 -20.508  -3.716  -8.463
  783   1HG   PRO 102          2HG       PRO 102 -21.904  -1.408  -8.282
  784   2HG   PRO 102          3HG       PRO 102 -22.483  -2.874  -7.423
  785   1HD   PRO 102          2HD       PRO 102 -21.043  -0.482  -6.289
  786   2HD   PRO 102          3HD       PRO 102 -22.375  -1.450  -5.602
  787    H    LEU 103           H        LEU 103 -18.059  -1.542  -6.265
  788    HA   LEU 103           HA       LEU 103 -15.811  -3.147  -6.961
  789   1HB   LEU 103          2HB       LEU 103 -15.818  -0.756  -7.252
  790   2HB   LEU 103          3HB       LEU 103 -16.111  -0.482  -5.538
  791    HG   LEU 103           HG       LEU 103 -13.893  -1.294  -4.955
  792   1HD1  LEU 103          1HD1      LEU 103 -12.177  -1.730  -6.701
  793   2HD1  LEU 103          2HD1      LEU 103 -13.452  -2.948  -6.738
  794   3HD1  LEU 103          3HD1      LEU 103 -13.436  -1.653  -7.954
  795   1HD2  LEU 103          1HD2      LEU 103 -12.617   0.554  -5.898
  796   2HD2  LEU 103          2HD2      LEU 103 -13.805   0.759  -7.201
  797   3HD2  LEU 103          3HD2      LEU 103 -14.256   1.090  -5.511
  798    H    LEU 104           H        LEU 104 -17.097  -2.167  -3.732
  799    HA   LEU 104           HA       LEU 104 -15.054  -3.489  -2.208
  800   1HB   LEU 104          2HB       LEU 104 -17.919  -2.692  -1.573
  801   2HB   LEU 104          3HB       LEU 104 -16.858  -3.454  -0.399
  802    HG   LEU 104           HG       LEU 104 -16.109  -0.843  -1.775
  803   1HD1  LEU 104          1HD1      LEU 104 -16.889   0.241   0.336
  804   2HD1  LEU 104          2HD1      LEU 104 -18.213  -0.506  -0.577
  805   3HD1  LEU 104          3HD1      LEU 104 -17.571  -1.319   0.859
  806   1HD2  LEU 104          1HD2      LEU 104 -14.226  -2.074  -0.729
  807   2HD2  LEU 104          2HD2      LEU 104 -14.595  -0.585   0.142
  808   3HD2  LEU 104          3HD2      LEU 104 -15.126  -2.145   0.799
  809    H    GLN 105           H        GLN 105 -18.259  -4.578  -3.447
  810    HA   GLN 105           HA       GLN 105 -18.126  -7.112  -2.155
  811   1HB   GLN 105          2HB       GLN 105 -19.649  -6.352  -4.689
  812   2HB   GLN 105          3HB       GLN 105 -19.839  -7.845  -3.765
  813   1HG   GLN 105          2HG       GLN 105 -20.280  -6.094  -1.760
  814   2HG   GLN 105          3HG       GLN 105 -20.776  -5.081  -3.103
  815   1HE2  GLN 105          2HE2      GLN 105 -21.500  -7.929  -1.209
  816   2HE2  GLN 105          1HE2      GLN 105 -23.103  -8.220  -1.875
  817    H    ASP 106           H        ASP 106 -16.980  -6.019  -5.354
  818    HA   ASP 106           HA       ASP 106 -16.078  -8.576  -6.281
  819   1HB   ASP 106          2HB       ASP 106 -16.382  -6.726  -7.791
  820   2HB   ASP 106          3HB       ASP 106 -15.190  -5.750  -6.929
  821    H    ALA 107           H        ALA 107 -14.472  -6.019  -4.336
  822    HA   ALA 107           HA       ALA 107 -11.994  -7.480  -4.036
  823   1HB   ALA 107          1HB       ALA 107 -11.496  -5.763  -2.353
  824   2HB   ALA 107          2HB       ALA 107 -12.193  -5.023  -3.807
  825   3HB   ALA 107          3HB       ALA 107 -13.192  -5.235  -2.351
  826    H    ALA 108           H        ALA 108 -15.046  -8.189  -2.850
  827    HA   ALA 108           HA       ALA 108 -15.990  -9.212  -1.117
  828   1HB   ALA 108          1HB       ALA 108 -14.666 -11.112  -2.007
  829   2HB   ALA 108          2HB       ALA 108 -13.371 -10.728  -0.850
  830   3HB   ALA 108          3HB       ALA 108 -14.969 -11.231  -0.266
  831    H    ALA 109           H        ALA 109 -14.747  -6.685  -0.581
  832    HA   ALA 109           HA       ALA 109 -13.392  -6.750   2.000
  833   1HB   ALA 109          1HB       ALA 109 -13.656  -4.292   1.837
  834   2HB   ALA 109          2HB       ALA 109 -12.991  -4.957   0.325
  835   3HB   ALA 109          3HB       ALA 109 -14.696  -4.486   0.412
  836    H    THR 110           H        THR 110 -16.716  -6.148   0.796
  837    HA   THR 110           HA       THR 110 -17.869  -5.282   3.254
  838    HB   THR 110           HB       THR 110 -19.945  -6.225   1.786
  839    HG1  THR 110           1HG      THR 110 -19.050  -7.036   0.038
  840   1HG2  THR 110          1HG2      THR 110 -19.694  -3.897   2.386
  841   2HG2  THR 110          2HG2      THR 110 -18.338  -3.691   1.267
  842   3HG2  THR 110          3HG2      THR 110 -19.976  -3.993   0.639
  843    H    ALA 111           H        ALA 111 -18.007  -6.522   5.003
  844    HA   ALA 111           HA       ALA 111 -17.504  -9.303   5.070
  845   1HB   ALA 111          1HB       ALA 111 -19.001  -7.512   7.024
  846   2HB   ALA 111          2HB       ALA 111 -18.288  -9.103   7.399
  847   3HB   ALA 111          3HB       ALA 111 -17.238  -7.740   6.937
  848    H    LYS 112           H        LYS 112 -20.388  -7.613   4.194
  849    HA   LYS 112           HA       LYS 112 -22.418  -9.520   4.613
  850   1HB   LYS 112          2HB       LYS 112 -22.053  -7.613   2.255
  851   2HB   LYS 112          3HB       LYS 112 -23.562  -8.387   2.747
  852   1HG   LYS 112          2HG       LYS 112 -23.486  -7.168   4.918
  853   2HG   LYS 112          3HG       LYS 112 -21.993  -6.356   4.406
  854   1HD   LYS 112          2HD       LYS 112 -23.201  -5.377   2.459
  855   2HD   LYS 112          3HD       LYS 112 -24.702  -6.140   3.031
  856   1HE   LYS 112          2HE       LYS 112 -24.473  -4.897   5.193
  857   2HE   LYS 112          3HE       LYS 112 -23.015  -4.109   4.571
  858   1HZ   LYS 112          1HZ       LYS 112 -24.971  -2.714   4.310
  859   2HZ   LYS 112          2HZ       LYS 112 -24.381  -3.101   2.838
  860   3HZ   LYS 112          3HZ       LYS 112 -25.728  -3.837   3.407
  861    H    ASN 113           H        ASN 113 -19.732  -9.596   2.304
  862    HA   ASN 113           HA       ASN 113 -20.737 -12.182   1.299
  863   1HB   ASN 113          2HB       ASN 113 -20.277 -11.710  -0.979
  864   2HB   ASN 113          3HB       ASN 113 -21.489 -10.604  -0.371
  865   1HD2  ASN 113          2HD2      ASN 113 -18.518 -10.877  -2.009
  866   2HD2  ASN 113          1HD2      ASN 113 -18.167  -9.175  -2.189
  867    HA   PRO 114           HA       PRO 114 -16.339 -12.585   2.462
  868   1HB   PRO 114          2HB       PRO 114 -16.322 -15.281   2.976
  869   2HB   PRO 114          3HB       PRO 114 -16.907 -14.055   4.141
  870   1HG   PRO 114          2HG       PRO 114 -18.543 -15.750   2.236
  871   2HG   PRO 114          3HG       PRO 114 -18.839 -15.438   3.976
  872   1HD   PRO 114          2HD       PRO 114 -20.117 -14.059   2.003
  873   2HD   PRO 114          3HD       PRO 114 -19.656 -13.269   3.542
  874    H    ALA 115           H        ALA 115 -18.266 -14.294   0.065
  875    HA   ALA 115           HA       ALA 115 -15.885 -14.919  -1.612
  876   1HB   ALA 115          1HB       ALA 115 -17.538 -16.022  -3.084
  877   2HB   ALA 115          2HB       ALA 115 -17.625 -16.684  -1.441
  878   3HB   ALA 115          3HB       ALA 115 -18.857 -15.528  -2.005
  879    H    GLN 116           H        GLN 116 -15.738 -13.852  -3.685
  880    HA   GLN 116           HA       GLN 116 -16.417 -11.091  -3.618
  881   1HB   GLN 116          2HB       GLN 116 -15.458 -10.977  -5.840
  882   2HB   GLN 116          3HB       GLN 116 -14.422 -11.907  -4.768
  883   1HG   GLN 116          2HG       GLN 116 -14.910 -13.952  -5.860
  884   2HG   GLN 116          3HG       GLN 116 -16.403 -13.346  -6.573
  885   1HE2  GLN 116          2HE2      GLN 116 -16.327 -11.836  -8.376
  886   2HE2  GLN 116          1HE2      GLN 116 -14.883 -11.755  -9.377
  887    H    LEU 117           H        LEU 117 -17.484  -9.899  -5.337
  888    HA   LEU 117           HA       LEU 117 -20.183 -10.523  -5.888
  889   1HB   LEU 117          2HB       LEU 117 -19.046  -8.266  -6.016
  890   2HB   LEU 117          3HB       LEU 117 -18.267  -8.763  -7.502
  891    HG   LEU 117           HG       LEU 117 -20.215  -7.234  -7.724
  892   1HD1  LEU 117          1HD1      LEU 117 -21.181  -8.207  -9.669
  893   2HD1  LEU 117          2HD1      LEU 117 -19.482  -8.699  -9.613
  894   3HD1  LEU 117          3HD1      LEU 117 -20.763  -9.847  -9.166
  895   1HD2  LEU 117          1HD2      LEU 117 -21.624  -8.211  -5.924
  896   2HD2  LEU 117          2HD2      LEU 117 -22.487  -7.994  -7.454
  897   3HD2  LEU 117          3HD2      LEU 117 -21.954  -9.613  -6.969
  Start of MODEL   12
    1   1H    MET   1           H1       MET   1  16.619  11.221   4.155
    2   2H    MET   1           H2       MET   1  18.067  10.787   3.535
    3   3H    MET   1           H3       MET   1  17.838  12.315   4.094
    4    HA   MET   1           HA       MET   1  16.215  12.750   2.380
    5   1HB   MET   1          2HB       MET   1  18.536  13.396   1.938
    6   2HB   MET   1          3HB       MET   1  18.916  11.776   1.341
    7   1HG   MET   1          2HG       MET   1  18.583  13.394  -0.480
    8   2HG   MET   1          3HG       MET   1  17.438  12.065  -0.562
    9   1HE   MET   1          1HE       MET   1  15.323  14.888  -2.136
   10   2HE   MET   1          2HE       MET   1  17.053  14.541  -2.355
   11   3HE   MET   1          3HE       MET   1  15.881  13.205  -2.261
   12    H    ALA   2           H        ALA   2  14.684  11.914   1.041
   13    HA   ALA   2           HA       ALA   2  14.475   9.033   0.635
   14   1HB   ALA   2          1HB       ALA   2  12.483  10.392   1.158
   15   2HB   ALA   2          2HB       ALA   2  12.722  11.335  -0.332
   16   3HB   ALA   2          3HB       ALA   2  12.333   9.603  -0.421
   17    H    SER   3           H        SER   3  16.800   9.466  -0.449
   18    HA   SER   3           HA       SER   3  16.955  10.151  -3.214
   19   1HB   SER   3          2HB       SER   3  18.520   8.035  -1.675
   20   2HB   SER   3          3HB       SER   3  19.041   8.912  -3.127
   21    HG   SER   3           HG       SER   3  19.945   9.795  -1.224
   22    H    LYS   4           H        LYS   4  17.155   8.523  -5.023
   23    HA   LYS   4           HA       LYS   4  14.755   7.252  -5.329
   24   1HB   LYS   4          2HB       LYS   4  15.583   6.273  -7.365
   25   2HB   LYS   4          3HB       LYS   4  16.181   7.920  -7.179
   26   1HG   LYS   4          2HG       LYS   4  18.387   6.992  -6.395
   27   2HG   LYS   4          3HG       LYS   4  17.764   5.355  -6.683
   28   1HD   LYS   4          2HD       LYS   4  17.421   5.900  -9.076
   29   2HD   LYS   4          3HD       LYS   4  18.052   7.538  -8.792
   30   1HE   LYS   4          2HE       LYS   4  20.214   6.568  -8.037
   31   2HE   LYS   4          3HE       LYS   4  19.586   4.939  -8.318
   32   1HZ   LYS   4          1HZ       LYS   4  20.928   5.702 -10.170
   33   2HZ   LYS   4          2HZ       LYS   4  19.393   5.492 -10.673
   34   3HZ   LYS   4          3HZ       LYS   4  19.973   6.999 -10.413
   35    H    GLN   5           H        GLN   5  17.660   5.629  -4.005
   36    HA   GLN   5           HA       GLN   5  16.561   2.987  -4.170
   37   1HB   GLN   5          2HB       GLN   5  18.977   3.543  -3.831
   38   2HB   GLN   5          3HB       GLN   5  18.606   4.094  -2.191
   39   1HG   GLN   5          2HG       GLN   5  17.752   1.795  -1.653
   40   2HG   GLN   5          3HG       GLN   5  18.188   1.269  -3.280
   41   1HE2  GLN   5          2HE2      GLN   5  19.256   1.263  -0.108
   42   2HE2  GLN   5          1HE2      GLN   5  20.972   1.111  -0.384
   43    H    GLU   6           H        GLU   6  16.479   5.502  -1.571
   44    HA   GLU   6           HA       GLU   6  15.059   3.818   0.305
   45   1HB   GLU   6          2HB       GLU   6  15.709   6.770   0.132
   46   2HB   GLU   6          3HB       GLU   6  14.580   6.166   1.347
   47   1HG   GLU   6          2HG       GLU   6  17.342   4.975   0.974
   48   2HG   GLU   6          3HG       GLU   6  17.042   6.348   2.048
   49    H    LEU   7           H        LEU   7  14.157   6.263  -2.134
   50    HA   LEU   7           HA       LEU   7  11.388   6.420  -1.553
   51   1HB   LEU   7          2HB       LEU   7  12.701   7.977  -2.971
   52   2HB   LEU   7          3HB       LEU   7  12.884   6.735  -4.194
   53    HG   LEU   7           HG       LEU   7  11.236   8.520  -4.683
   54   1HD1  LEU   7          1HD1      LEU   7   9.635   7.193  -5.777
   55   2HD1  LEU   7          2HD1      LEU   7  11.141   6.267  -5.781
   56   3HD1  LEU   7          3HD1      LEU   7   9.825   5.840  -4.660
   57   1HD2  LEU   7          1HD2      LEU   7   9.054   8.578  -3.652
   58   2HD2  LEU   7          2HD2      LEU   7   9.472   7.226  -2.576
   59   3HD2  LEU   7          3HD2      LEU   7  10.300   8.790  -2.410
   60    H    ASP   8           H        ASP   8  13.207   4.254  -3.819
   61    HA   ASP   8           HA       ASP   8  10.887   2.826  -4.677
   62   1HB   ASP   8          2HB       ASP   8  12.960   2.826  -5.965
   63   2HB   ASP   8          3HB       ASP   8  13.831   2.053  -4.635
   64    H    ALA   9           H        ALA   9  13.190   2.243  -1.959
   65    HA   ALA   9           HA       ALA   9  12.081  -0.277  -1.202
   66   1HB   ALA   9          1HB       ALA   9  13.152   0.155   0.979
   67   2HB   ALA   9          2HB       ALA   9  14.253   0.555  -0.353
   68   3HB   ALA   9          3HB       ALA   9  13.420   1.852   0.535
   69    H    ALA  10           H        ALA  10  11.284   3.093  -0.208
   70    HA   ALA  10           HA       ALA  10   9.137   2.416   1.537
   71   1HB   ALA  10          1HB       ALA  10  10.206   4.623   1.539
   72   2HB   ALA  10          2HB       ALA  10   9.626   4.939  -0.110
   73   3HB   ALA  10          3HB       ALA  10   8.470   4.771   1.223
   74    H    LEU  11           H        LEU  11   9.232   2.995  -2.027
   75    HA   LEU  11           HA       LEU  11   6.427   2.765  -2.437
   76   1HB   LEU  11          2HB       LEU  11   8.014   3.640  -4.132
   77   2HB   LEU  11          3HB       LEU  11   8.740   2.041  -4.282
   78    HG   LEU  11           HG       LEU  11   6.608   1.115  -5.154
   79   1HD1  LEU  11          1HD1      LEU  11   4.941   2.551  -4.137
   80   2HD1  LEU  11          2HD1      LEU  11   5.661   3.995  -4.883
   81   3HD1  LEU  11          3HD1      LEU  11   4.845   2.770  -5.883
   82   1HD2  LEU  11          1HD2      LEU  11   8.320   1.920  -6.689
   83   2HD2  LEU  11          2HD2      LEU  11   6.712   2.277  -7.340
   84   3HD2  LEU  11          3HD2      LEU  11   7.677   3.569  -6.593
   85    H    LYS  12           H        LYS  12   8.984   0.201  -2.424
   86    HA   LYS  12           HA       LYS  12   7.177  -1.894  -3.048
   87   1HB   LYS  12          2HB       LYS  12   9.645  -2.013  -3.159
   88   2HB   LYS  12          3HB       LYS  12   9.746  -1.909  -1.396
   89   1HG   LYS  12          2HG       LYS  12   8.519  -4.049  -1.186
   90   2HG   LYS  12          3HG       LYS  12   8.401  -4.171  -2.949
   91   1HD   LYS  12          2HD       LYS  12  11.026  -3.974  -1.413
   92   2HD   LYS  12          3HD       LYS  12  10.262  -5.513  -1.860
   93   1HE   LYS  12          2HE       LYS  12  10.373  -4.859  -4.265
   94   2HE   LYS  12          3HE       LYS  12  11.188  -3.356  -3.815
   95   1HZ   LYS  12          1HZ       LYS  12  12.767  -5.046  -4.488
   96   2HZ   LYS  12          2HZ       LYS  12  13.008  -4.691  -2.917
   97   3HZ   LYS  12          3HZ       LYS  12  12.255  -6.079  -3.339
   98    H    LYS  13           H        LYS  13   8.165  -0.507   0.144
   99    HA   LYS  13           HA       LYS  13   6.486  -2.233   1.672
  100   1HB   LYS  13          2HB       LYS  13   8.305  -0.744   2.585
  101   2HB   LYS  13          3HB       LYS  13   7.228   0.645   2.360
  102   1HG   LYS  13          2HG       LYS  13   5.555  -0.431   3.875
  103   2HG   LYS  13          3HG       LYS  13   6.632  -1.827   4.055
  104   1HD   LYS  13          2HD       LYS  13   8.365  -0.293   5.057
  105   2HD   LYS  13          3HD       LYS  13   7.214   1.039   4.902
  106   1HE   LYS  13          2HE       LYS  13   7.118   0.302   7.167
  107   2HE   LYS  13          3HE       LYS  13   5.614  -0.189   6.386
  108   1HZ   LYS  13          1HZ       LYS  13   6.539  -2.442   6.205
  109   2HZ   LYS  13          2HZ       LYS  13   7.936  -1.964   6.913
  110   3HZ   LYS  13          3HZ       LYS  13   6.547  -1.953   7.758
  111    H    ALA  14           H        ALA  14   5.756   0.958   0.111
  112    HA   ALA  14           HA       ALA  14   3.128   1.176   1.088
  113   1HB   ALA  14          1HB       ALA  14   4.123   2.114  -1.637
  114   2HB   ALA  14          2HB       ALA  14   2.730   2.715  -0.723
  115   3HB   ALA  14          3HB       ALA  14   4.374   2.989  -0.110
  116    H    LYS  15           H        LYS  15   4.311  -0.485  -1.903
  117    HA   LYS  15           HA       LYS  15   1.721  -1.302  -2.783
  118   1HB   LYS  15          2HB       LYS  15   4.502  -2.449  -3.257
  119   2HB   LYS  15          3HB       LYS  15   3.040  -3.098  -4.016
  120   1HG   LYS  15          2HG       LYS  15   2.557  -0.991  -5.098
  121   2HG   LYS  15          3HG       LYS  15   3.915  -0.189  -4.292
  122   1HD   LYS  15          2HD       LYS  15   5.507  -1.656  -5.468
  123   2HD   LYS  15          3HD       LYS  15   4.157  -2.533  -6.227
  124   1HE   LYS  15          2HE       LYS  15   3.401  -0.406  -7.294
  125   2HE   LYS  15          3HE       LYS  15   4.781   0.436  -6.583
  126   1HZ   LYS  15          1HZ       LYS  15   5.222  -0.226  -8.869
  127   2HZ   LYS  15          2HZ       LYS  15   6.242  -1.029  -7.882
  128   3HZ   LYS  15          3HZ       LYS  15   4.954  -1.794  -8.534
  129    H    GLU  16           H        GLU  16   4.077  -2.922  -0.588
  130    HA   GLU  16           HA       GLU  16   2.519  -5.277  -0.233
  131   1HB   GLU  16          2HB       GLU  16   4.904  -5.044   0.385
  132   2HB   GLU  16          3HB       GLU  16   4.470  -3.937   1.694
  133   1HG   GLU  16          2HG       GLU  16   3.160  -5.721   2.794
  134   2HG   GLU  16          3HG       GLU  16   3.493  -6.816   1.449
  135    H    LEU  17           H        LEU  17   2.614  -2.209   1.662
  136    HA   LEU  17           HA       LEU  17   0.631  -2.881   3.565
  137   1HB   LEU  17          2HB       LEU  17   1.463  -0.216   2.350
  138   2HB   LEU  17          3HB       LEU  17   0.269  -0.336   3.631
  139    HG   LEU  17           HG       LEU  17   3.125  -1.363   3.921
  140   1HD1  LEU  17          1HD1      LEU  17   3.128   1.065   3.549
  141   2HD1  LEU  17          2HD1      LEU  17   1.931   1.269   4.848
  142   3HD1  LEU  17          3HD1      LEU  17   3.558   0.674   5.219
  143   1HD2  LEU  17          1HD2      LEU  17   0.949  -0.814   5.984
  144   2HD2  LEU  17          2HD2      LEU  17   1.555  -2.419   5.500
  145   3HD2  LEU  17          3HD2      LEU  17   2.620  -1.294   6.341
  146    H    ALA  18           H        ALA  18   0.299  -1.294   0.370
  147    HA   ALA  18           HA       ALA  18  -2.497  -0.955   0.363
  148   1HB   ALA  18          1HB       ALA  18  -2.221  -0.676  -2.059
  149   2HB   ALA  18          2HB       ALA  18  -0.923   0.166  -1.193
  150   3HB   ALA  18          3HB       ALA  18  -0.604  -1.398  -1.977
  151    H    SER  19           H        SER  19  -0.706  -3.907   0.145
  152    HA   SER  19           HA       SER  19  -2.998  -5.351  -1.101
  153   1HB   SER  19          2HB       SER  19  -0.086  -6.202  -0.881
  154   2HB   SER  19          3HB       SER  19  -1.371  -6.977  -1.824
  155    HG   SER  19           HG       SER  19  -0.061  -4.503  -2.233
  156    H    SER  20           H        SER  20  -1.735  -4.667   1.935
  157    HA   SER  20           HA       SER  20  -1.701  -7.326   3.075
  158   1HB   SER  20          2HB       SER  20  -1.726  -4.544   4.304
  159   2HB   SER  20          3HB       SER  20  -1.470  -6.045   5.209
  160    HG   SER  20           HG       SER  20   0.138  -5.270   2.979
  161    H    ALA  21           H        ALA  21  -4.311  -5.271   2.197
  162    HA   ALA  21           HA       ALA  21  -6.229  -7.016   3.522
  163   1HB   ALA  21          1HB       ALA  21  -6.151  -3.997   4.019
  164   2HB   ALA  21          2HB       ALA  21  -7.501  -5.042   4.465
  165   3HB   ALA  21          3HB       ALA  21  -5.927  -5.266   5.242
  166    HA   PRO  22           HA       PRO  22  -8.204  -6.155  -0.368
  167   1HB   PRO  22          2HB       PRO  22 -10.908  -6.172   0.172
  168   2HB   PRO  22          3HB       PRO  22  -9.881  -7.638   0.156
  169   1HG   PRO  22          2HG       PRO  22 -10.687  -5.962   2.557
  170   2HG   PRO  22          3HG       PRO  22 -10.790  -7.745   2.367
  171   1HD   PRO  22          2HD       PRO  22  -8.719  -6.611   3.656
  172   2HD   PRO  22          3HD       PRO  22  -8.431  -7.977   2.544
  173    H    VAL  23           H        VAL  23  -8.625  -3.899   2.262
  174    HA   VAL  23           HA       VAL  23  -9.021  -1.714   0.343
  175    HB   VAL  23           HB       VAL  23 -10.646  -2.065   2.897
  176   1HG1  VAL  23          1HG1      VAL  23 -10.155   0.294   2.581
  177   2HG1  VAL  23          2HG1      VAL  23 -10.580   0.209   0.872
  178   3HG1  VAL  23          3HG1      VAL  23 -11.835   0.007   2.111
  179   1HG2  VAL  23          1HG2      VAL  23 -11.583  -2.159   0.019
  180   2HG2  VAL  23          2HG2      VAL  23 -11.591  -3.485   1.196
  181   3HG2  VAL  23          3HG2      VAL  23 -12.634  -2.088   1.453
  182    H    VAL  24           H        VAL  24  -7.695   0.007   0.942
  183    HA   VAL  24           HA       VAL  24  -6.438  -0.031   3.608
  184    HB   VAL  24           HB       VAL  24  -4.802   0.091   1.040
  185   1HG1  VAL  24          1HG1      VAL  24  -3.982  -0.069   3.979
  186   2HG1  VAL  24          2HG1      VAL  24  -2.870  -0.146   2.598
  187   3HG1  VAL  24          3HG1      VAL  24  -3.777   1.331   2.900
  188   1HG2  VAL  24          1HG2      VAL  24  -5.571  -2.213   1.265
  189   2HG2  VAL  24          2HG2      VAL  24  -3.889  -2.130   1.735
  190   3HG2  VAL  24          3HG2      VAL  24  -5.125  -2.227   2.986
  191    H    VAL  25           H        VAL  25  -6.051   2.062   4.326
  192    HA   VAL  25           HA       VAL  25  -6.515   4.282   2.388
  193    HB   VAL  25           HB       VAL  25  -7.370   4.444   5.289
  194   1HG1  VAL  25          1HG1      VAL  25  -8.822   6.193   4.416
  195   2HG1  VAL  25          2HG1      VAL  25  -7.180   6.473   3.812
  196   3HG1  VAL  25          3HG1      VAL  25  -8.396   5.760   2.741
  197   1HG2  VAL  25          1HG2      VAL  25  -9.707   3.906   4.607
  198   2HG2  VAL  25          2HG2      VAL  25  -9.092   3.303   3.052
  199   3HG2  VAL  25          3HG2      VAL  25  -8.640   2.507   4.572
  200    H    PHE  26           H        PHE  26  -4.572   5.251   2.121
  201    HA   PHE  26           HA       PHE  26  -2.656   5.410   4.381
  202   1HB   PHE  26          2HB       PHE  26  -2.522   6.553   1.568
  203   2HB   PHE  26          3HB       PHE  26  -1.265   6.669   2.788
  204    HD1  PHE  26           1HD      PHE  26   0.133   4.725   3.380
  205    HD2  PHE  26           2HD      PHE  26  -3.026   4.375   0.468
  206    HE1  PHE  26           1HE      PHE  26   1.005   2.497   2.697
  207    HE2  PHE  26           2HE      PHE  26  -2.138   2.168  -0.228
  208    HZ   PHE  26           HZ       PHE  26  -0.129   1.226   0.890
  209    H    SER  27           H        SER  27  -2.831   7.052   5.803
  210    HA   SER  27           HA       SER  27  -4.501   9.438   5.226
  211   1HB   SER  27          2HB       SER  27  -4.989   7.194   7.222
  212   2HB   SER  27          3HB       SER  27  -5.660   8.807   7.478
  213    HG   SER  27           HG       SER  27  -7.048   7.326   6.316
  214    H    LYS  28           H        LYS  28  -4.618  10.575   7.643
  215    HA   LYS  28           HA       LYS  28  -2.030  10.330   9.030
  216   1HB   LYS  28          2HB       LYS  28  -3.212  12.923   7.982
  217   2HB   LYS  28          3HB       LYS  28  -2.122  12.886   9.377
  218   1HG   LYS  28          2HG       LYS  28  -0.390  11.756   8.016
  219   2HG   LYS  28          3HG       LYS  28  -1.456  11.819   6.604
  220   1HD   LYS  28          2HD       LYS  28  -1.469  14.320   6.766
  221   2HD   LYS  28          3HD       LYS  28  -0.323  14.208   8.119
  222   1HE   LYS  28          2HE       LYS  28   1.289  13.014   6.638
  223   2HE   LYS  28          3HE       LYS  28   0.147  13.132   5.294
  224   1HZ   LYS  28          1HZ       LYS  28   0.349  15.555   5.431
  225   2HZ   LYS  28          2HZ       LYS  28   1.419  15.435   6.663
  226   3HZ   LYS  28          3HZ       LYS  28   1.807  14.873   5.185
  227    H    THR  29           H        THR  29  -2.289  11.492  11.230
  228    HA   THR  29           HA       THR  29  -4.178   9.899  12.550
  229    HB   THR  29           HB       THR  29  -3.164  11.299  14.532
  230    HG1  THR  29           1HG      THR  29  -1.342  12.460  13.940
  231   1HG2  THR  29          1HG2      THR  29  -1.065  10.059  14.395
  232   2HG2  THR  29          2HG2      THR  29  -2.399   9.030  13.853
  233   3HG2  THR  29          3HG2      THR  29  -1.303   9.762  12.658
  234    H    TYR  30           H        TYR  30  -4.768  13.125  11.319
  235    HA   TYR  30           HA       TYR  30  -6.997  13.391  13.292
  236   1HB   TYR  30          2HB       TYR  30  -6.384  15.698  13.643
  237   2HB   TYR  30          3HB       TYR  30  -5.033  14.651  14.033
  238    HD1  TYR  30           1HD      TYR  30  -6.328  17.194  11.678
  239    HD2  TYR  30           2HD      TYR  30  -2.976  14.636  12.619
  240    HE1  TYR  30           1HE      TYR  30  -4.939  18.421  10.045
  241    HE2  TYR  30           2HE      TYR  30  -1.560  15.902  11.042
  242    HH   TYR  30           HH       TYR  30  -1.457  17.661   9.514
  243    H    CYS  31           H        CYS  31  -6.025  13.952   9.903
  244    HA   CYS  31           HA       CYS  31  -7.656  16.022   9.293
  245   1HB   CYS  31          2HB       CYS  31  -7.062  13.687   7.449
  246   2HB   CYS  31          3HB       CYS  31  -7.358  15.379   7.001
  247    H    GLY  32           H        GLY  32  -9.723  16.425   8.864
  248   1HA   GLY  32          1HA       GLY  32 -11.787  14.693   9.689
  249   2HA   GLY  32          2HA       GLY  32 -11.981  16.190   8.757
  250    H    TYR  33           H        TYR  33 -10.334  15.144   6.464
  251    HA   TYR  33           HA       TYR  33 -12.417  13.723   5.043
  252   1HB   TYR  33          2HB       TYR  33  -9.517  14.310   4.328
  253   2HB   TYR  33          3HB       TYR  33 -10.704  13.607   3.237
  254    HD1  TYR  33           1HD      TYR  33  -9.279  16.682   4.362
  255    HD2  TYR  33           2HD      TYR  33 -12.943  14.941   2.879
  256    HE1  TYR  33           1HE      TYR  33 -10.076  18.929   3.700
  257    HE2  TYR  33           2HE      TYR  33 -13.746  17.181   2.212
  258    HH   TYR  33           HH       TYR  33 -13.272  19.462   2.135
  259    H    CYS  34           H        CYS  34  -9.321  12.734   6.615
  260    HA   CYS  34           HA       CYS  34  -9.446   9.984   5.775
  261   1HB   CYS  34          2HB       CYS  34  -8.179  11.280   8.239
  262   2HB   CYS  34          3HB       CYS  34  -7.949   9.600   7.738
  263    HG   CYS  34           HG       CYS  34  -6.795   9.945   5.575
  264    H    ASN  35           H        ASN  35 -10.649  11.721   8.707
  265    HA   ASN  35           HA       ASN  35 -11.925   9.497   9.900
  266   1HB   ASN  35          2HB       ASN  35 -11.683  11.629  11.077
  267   2HB   ASN  35          3HB       ASN  35 -12.770  12.421   9.930
  268   1HD2  ASN  35          2HD2      ASN  35 -14.951  12.496  10.547
  269   2HD2  ASN  35          1HD2      ASN  35 -15.684  11.372  11.665
  270    H    ARG  36           H        ARG  36 -13.222  11.740   7.379
  271    HA   ARG  36           HA       ARG  36 -15.808  10.537   7.284
  272   1HB   ARG  36          2HB       ARG  36 -14.178  12.154   5.307
  273   2HB   ARG  36          3HB       ARG  36 -15.767  11.514   4.868
  274   1HG   ARG  36          2HG       ARG  36 -16.903  12.777   6.496
  275   2HG   ARG  36          3HG       ARG  36 -15.434  13.102   7.423
  276   1HD   ARG  36          2HD       ARG  36 -14.570  14.542   5.598
  277   2HD   ARG  36          3HD       ARG  36 -16.001  14.178   4.628
  278    HE   ARG  36           HE       ARG  36 -17.165  15.755   5.757
  279   1HH1  ARG  36          1HH2      ARG  36 -14.416  14.873   7.842
  280   2HH1  ARG  36          2HH2      ARG  36 -14.739  16.121   9.004
  281   1HH2  ARG  36          1HH1      ARG  36 -17.567  17.400   7.296
  282   2HH2  ARG  36          2HH1      ARG  36 -16.555  17.588   8.675
  283    H    VAL  37           H        VAL  37 -12.809   9.670   5.394
  284    HA   VAL  37           HA       VAL  37 -14.175   7.624   3.920
  285    HB   VAL  37           HB       VAL  37 -11.228   7.911   4.658
  286   1HG1  VAL  37          1HG1      VAL  37 -10.820   6.287   2.793
  287   2HG1  VAL  37          2HG1      VAL  37 -11.618   5.540   4.171
  288   3HG1  VAL  37          3HG1      VAL  37 -12.561   5.952   2.722
  289   1HG2  VAL  37          1HG2      VAL  37 -11.099   8.560   2.224
  290   2HG2  VAL  37          2HG2      VAL  37 -12.871   8.479   2.153
  291   3HG2  VAL  37          3HG2      VAL  37 -12.077   9.677   3.191
  292    H    LYS  38           H        LYS  38 -12.361   7.446   7.038
  293    HA   LYS  38           HA       LYS  38 -12.739   4.694   7.531
  294   1HB   LYS  38          2HB       LYS  38 -12.746   7.028   9.495
  295   2HB   LYS  38          3HB       LYS  38 -12.673   5.340   9.969
  296   1HG   LYS  38          2HG       LYS  38 -10.497   5.058   8.875
  297   2HG   LYS  38          3HG       LYS  38 -10.551   6.705   8.237
  298   1HD   LYS  38          2HD       LYS  38 -10.665   7.594  10.571
  299   2HD   LYS  38          3HD       LYS  38 -10.570   5.939  11.195
  300   1HE   LYS  38          2HE       LYS  38  -8.331   5.677  10.167
  301   2HE   LYS  38          3HE       LYS  38  -8.426   7.320   9.517
  302   1HZ   LYS  38          1HZ       LYS  38  -8.435   6.625  12.402
  303   2HZ   LYS  38          2HZ       LYS  38  -7.159   7.256  11.608
  304   3HZ   LYS  38          3HZ       LYS  38  -8.514   8.144  11.806
  305    H    GLN  39           H        GLN  39 -14.946   7.416   8.439
  306    HA   GLN  39           HA       GLN  39 -16.943   5.720   9.558
  307   1HB   GLN  39          2HB       GLN  39 -17.074   8.537   8.411
  308   2HB   GLN  39          3HB       GLN  39 -18.443   7.729   9.191
  309   1HG   GLN  39          2HG       GLN  39 -17.155   7.468  11.272
  310   2HG   GLN  39          3HG       GLN  39 -15.773   8.286  10.556
  311   1HE2  GLN  39          2HE2      GLN  39 -16.762   9.316  12.893
  312   2HE2  GLN  39          1HE2      GLN  39 -17.720  10.749  12.626
  313    H    LEU  40           H        LEU  40 -16.532   6.939   6.179
  314    HA   LEU  40           HA       LEU  40 -19.055   6.079   5.214
  315   1HB   LEU  40          2HB       LEU  40 -17.358   7.601   4.069
  316   2HB   LEU  40          3HB       LEU  40 -16.411   6.167   3.699
  317    HG   LEU  40           HG       LEU  40 -18.503   5.300   2.412
  318   1HD1  LEU  40          1HD1      LEU  40 -19.326   8.211   2.821
  319   2HD1  LEU  40          2HD1      LEU  40 -20.035   7.106   1.633
  320   3HD1  LEU  40          3HD1      LEU  40 -20.217   6.769   3.359
  321   1HD2  LEU  40          1HD2      LEU  40 -16.507   6.160   1.312
  322   2HD2  LEU  40          2HD2      LEU  40 -17.974   6.653   0.461
  323   3HD2  LEU  40          3HD2      LEU  40 -17.105   7.826   1.481
  324    H    LEU  41           H        LEU  41 -15.861   4.441   5.200
  325    HA   LEU  41           HA       LEU  41 -16.755   1.991   4.033
  326   1HB   LEU  41          2HB       LEU  41 -14.313   2.945   5.500
  327   2HB   LEU  41          3HB       LEU  41 -14.560   1.220   5.318
  328    HG   LEU  41           HG       LEU  41 -14.459   1.244   2.985
  329   1HD1  LEU  41          1HD1      LEU  41 -14.568   4.287   2.970
  330   2HD1  LEU  41          2HD1      LEU  41 -14.256   3.246   1.559
  331   3HD1  LEU  41          3HD1      LEU  41 -15.819   3.176   2.358
  332   1HD2  LEU  41          1HD2      LEU  41 -12.264   2.309   2.537
  333   2HD2  LEU  41          2HD2      LEU  41 -12.422   3.254   4.031
  334   3HD2  LEU  41          3HD2      LEU  41 -12.293   1.487   4.110
  335    H    THR  42           H        THR  42 -16.419   3.014   7.467
  336    HA   THR  42           HA       THR  42 -17.156   0.543   8.641
  337    HB   THR  42           HB       THR  42 -17.663   3.405   9.577
  338    HG1  THR  42           1HG      THR  42 -15.511   3.060   9.299
  339   1HG2  THR  42          1HG2      THR  42 -17.627   2.452  11.869
  340   2HG2  THR  42          2HG2      THR  42 -19.014   1.881  10.936
  341   3HG2  THR  42          3HG2      THR  42 -17.614   0.810  11.179
  342    H    GLN  43           H        GLN  43 -19.217   3.292   7.527
  343    HA   GLN  43           HA       GLN  43 -21.652   2.167   8.499
  344   1HB   GLN  43          2HB       GLN  43 -21.016   4.297   6.435
  345   2HB   GLN  43          3HB       GLN  43 -22.680   3.818   6.782
  346   1HG   GLN  43          2HG       GLN  43 -22.529   4.464   9.085
  347   2HG   GLN  43          3HG       GLN  43 -20.784   4.695   8.994
  348   1HE2  GLN  43          2HE2      GLN  43 -19.982   6.388   7.500
  349   2HE2  GLN  43          1HE2      GLN  43 -20.934   7.856   7.278
  350    H    VAL  44           H        VAL  44 -20.089   1.879   5.246
  351    HA   VAL  44           HA       VAL  44 -22.317   0.287   4.263
  352    HB   VAL  44           HB       VAL  44 -20.985  -0.076   2.275
  353   1HG1  VAL  44          1HG1      VAL  44 -20.821   2.238   1.533
  354   2HG1  VAL  44          2HG1      VAL  44 -22.256   2.031   2.555
  355   3HG1  VAL  44          3HG1      VAL  44 -20.806   2.826   3.201
  356   1HG2  VAL  44          1HG2      VAL  44 -18.747   1.375   3.709
  357   2HG2  VAL  44          2HG2      VAL  44 -18.727  -0.320   3.190
  358   3HG2  VAL  44          3HG2      VAL  44 -18.773   0.986   1.988
  359    H    GLY  45           H        GLY  45 -19.858  -0.483   6.474
  360   1HA   GLY  45          1HA       GLY  45 -19.622  -2.466   7.587
  361   2HA   GLY  45          2HA       GLY  45 -20.645  -3.287   6.399
  362    H    ALA  46           H        ALA  46 -17.808  -1.372   5.418
  363    HA   ALA  46           HA       ALA  46 -16.518  -3.692   4.192
  364   1HB   ALA  46          1HB       ALA  46 -16.424  -1.420   3.159
  365   2HB   ALA  46          2HB       ALA  46 -15.545  -0.830   4.585
  366   3HB   ALA  46          3HB       ALA  46 -14.813  -2.059   3.538
  367    H    SER  47           H        SER  47 -14.379  -4.302   4.763
  368    HA   SER  47           HA       SER  47 -13.395  -3.681   7.511
  369   1HB   SER  47          2HB       SER  47 -13.050  -6.230   5.861
  370   2HB   SER  47          3HB       SER  47 -12.355  -5.915   7.463
  371    HG   SER  47           HG       SER  47 -14.285  -7.147   7.578
  372    H    TYR  48           H        TYR  48 -11.379  -2.710   7.465
  373    HA   TYR  48           HA       TYR  48  -9.850  -2.632   4.942
  374   1HB   TYR  48          2HB       TYR  48  -9.940  -0.183   4.900
  375   2HB   TYR  48          3HB       TYR  48 -11.529  -0.892   4.683
  376    HD1  TYR  48           1HD      TYR  48 -13.305  -0.629   6.382
  377    HD2  TYR  48           2HD      TYR  48  -9.402   1.138   6.894
  378    HE1  TYR  48           1HE      TYR  48 -14.212   0.838   8.173
  379    HE2  TYR  48           2HE      TYR  48 -10.283   2.546   8.730
  380    HH   TYR  48           HH       TYR  48 -12.092   3.052  10.063
  381    H    LYS  49           H        LYS  49  -7.834  -1.421   5.206
  382    HA   LYS  49           HA       LYS  49  -6.707  -1.438   7.983
  383   1HB   LYS  49          2HB       LYS  49  -5.725  -3.131   6.482
  384   2HB   LYS  49          3HB       LYS  49  -5.438  -1.906   5.242
  385   1HG   LYS  49          2HG       LYS  49  -3.769  -0.801   6.684
  386   2HG   LYS  49          3HG       LYS  49  -4.100  -1.980   7.975
  387   1HD   LYS  49          2HD       LYS  49  -3.305  -3.809   6.472
  388   2HD   LYS  49          3HD       LYS  49  -3.058  -2.629   5.177
  389   1HE   LYS  49          2HE       LYS  49  -0.914  -3.086   6.150
  390   2HE   LYS  49          3HE       LYS  49  -1.375  -1.437   6.576
  391   1HZ   LYS  49          1HZ       LYS  49  -1.610  -3.789   8.379
  392   2HZ   LYS  49          2HZ       LYS  49  -0.447  -2.655   8.463
  393   3HZ   LYS  49          3HZ       LYS  49  -1.988  -2.250   8.786
  394    H    VAL  50           H        VAL  50  -5.217   0.329   8.424
  395    HA   VAL  50           HA       VAL  50  -5.477   2.666   6.628
  396    HB   VAL  50           HB       VAL  50  -5.749   2.729   9.655
  397   1HG1  VAL  50          1HG1      VAL  50  -4.719   4.799   8.700
  398   2HG1  VAL  50          2HG1      VAL  50  -6.082   4.954   7.576
  399   3HG1  VAL  50          3HG1      VAL  50  -6.328   5.119   9.330
  400   1HG2  VAL  50          1HG2      VAL  50  -7.821   1.838   8.747
  401   2HG2  VAL  50          2HG2      VAL  50  -8.084   3.505   9.239
  402   3HG2  VAL  50          3HG2      VAL  50  -7.881   3.123   7.513
  403    H    VAL  51           H        VAL  51  -3.615   3.930   6.596
  404    HA   VAL  51           HA       VAL  51  -1.253   3.041   8.182
  405    HB   VAL  51           HB       VAL  51  -1.296   3.839   5.240
  406   1HG1  VAL  51          1HG1      VAL  51   1.026   2.901   6.988
  407   2HG1  VAL  51          2HG1      VAL  51   1.101   3.352   5.268
  408   3HG1  VAL  51          3HG1      VAL  51   0.745   4.580   6.477
  409   1HG2  VAL  51          1HG2      VAL  51  -0.754   1.119   6.498
  410   2HG2  VAL  51          2HG2      VAL  51  -2.138   1.551   5.468
  411   3HG2  VAL  51          3HG2      VAL  51  -0.517   1.542   4.785
  412    H    GLU  52           H        GLU  52  -1.542   4.687   9.679
  413    HA   GLU  52           HA       GLU  52  -2.163   7.411   8.803
  414   1HB   GLU  52          2HB       GLU  52  -1.572   6.308  11.576
  415   2HB   GLU  52          3HB       GLU  52  -2.076   7.968  11.184
  416   1HG   GLU  52          2HG       GLU  52  -4.125   6.981  10.045
  417   2HG   GLU  52          3HG       GLU  52  -3.675   5.413  10.722
  418    H    LEU  53           H        LEU  53  -0.526   7.992   7.510
  419    HA   LEU  53           HA       LEU  53   2.133   7.256   7.604
  420   1HB   LEU  53          2HB       LEU  53   0.825   9.774   6.498
  421   2HB   LEU  53          3HB       LEU  53   2.487   9.317   6.141
  422    HG   LEU  53           HG       LEU  53   0.106   7.521   5.482
  423   1HD1  LEU  53          1HD1      LEU  53   0.355   8.330   3.156
  424   2HD1  LEU  53          2HD1      LEU  53  -0.112   9.631   4.259
  425   3HD1  LEU  53          3HD1      LEU  53   1.562   9.509   3.696
  426   1HD2  LEU  53          1HD2      LEU  53   2.294   6.343   5.589
  427   2HD2  LEU  53          2HD2      LEU  53   1.703   6.457   3.928
  428   3HD2  LEU  53          3HD2      LEU  53   2.987   7.552   4.483
  429    H    ASP  54           H        ASP  54   0.653  10.036   9.308
  430    HA   ASP  54           HA       ASP  54   3.141  11.299   9.965
  431   1HB   ASP  54          2HB       ASP  54   0.954  12.449  10.076
  432   2HB   ASP  54          3HB       ASP  54   0.449  11.393  11.398
  433    H    GLU  55           H        GLU  55   1.473   8.527  11.372
  434    HA   GLU  55           HA       GLU  55   3.080   8.634  13.858
  435   1HB   GLU  55          2HB       GLU  55   0.581   8.188  13.833
  436   2HB   GLU  55          3HB       GLU  55   0.907   6.688  12.973
  437   1HG   GLU  55          2HG       GLU  55   0.570   6.188  15.289
  438   2HG   GLU  55          3HG       GLU  55   2.259   5.891  14.927
  439    H    LEU  56           H        LEU  56   2.829   6.961  10.765
  440    HA   LEU  56           HA       LEU  56   4.146   4.562  11.340
  441   1HB   LEU  56          2HB       LEU  56   2.884   5.094   9.253
  442   2HB   LEU  56          3HB       LEU  56   4.173   6.202   8.777
  443    HG   LEU  56           HG       LEU  56   5.776   4.258   8.728
  444   1HD1  LEU  56          1HD1      LEU  56   3.247   2.594   9.109
  445   2HD1  LEU  56          2HD1      LEU  56   4.838   1.964   8.634
  446   3HD1  LEU  56          3HD1      LEU  56   4.621   2.673  10.233
  447   1HD2  LEU  56          1HD2      LEU  56   4.954   3.348   6.624
  448   2HD2  LEU  56          2HD2      LEU  56   3.334   4.009   6.945
  449   3HD2  LEU  56          3HD2      LEU  56   4.714   5.102   6.697
  450    H    SER  57           H        SER  57   6.266   3.923  11.524
  451    HA   SER  57           HA       SER  57   8.236   5.668  12.307
  452   1HB   SER  57          2HB       SER  57   8.707   2.904  11.141
  453   2HB   SER  57          3HB       SER  57   9.610   3.713  12.436
  454    HG   SER  57           HG       SER  57   8.131   2.167  13.253
  455    H    ASP  58           H        ASP  58   7.438   4.892   8.998
  456    HA   ASP  58           HA       ASP  58   9.941   6.200   8.023
  457   1HB   ASP  58          2HB       ASP  58   9.787   3.723   7.616
  458   2HB   ASP  58          3HB       ASP  58   8.320   4.007   6.677
  459    H    GLY  59           H        GLY  59   7.186   7.177   8.804
  460   1HA   GLY  59          1HA       GLY  59   5.232   7.567   7.092
  461   2HA   GLY  59          2HA       GLY  59   5.814   8.851   8.162
  462    H    SER  60           H        SER  60   7.812  10.110   7.184
  463    HA   SER  60           HA       SER  60   6.843  11.535   5.030
  464   1HB   SER  60          2HB       SER  60   9.776  11.327   5.801
  465   2HB   SER  60          3HB       SER  60   8.938  12.718   5.090
  466    HG   SER  60           HG       SER  60   9.225  12.928   7.362
  467    H    GLN  61           H        GLN  61   9.116   8.759   4.894
  468    HA   GLN  61           HA       GLN  61   9.716   9.254   2.064
  469   1HB   GLN  61          2HB       GLN  61  10.299   6.753   3.687
  470   2HB   GLN  61          3HB       GLN  61  10.995   7.228   2.135
  471   1HG   GLN  61          2HG       GLN  61  11.845   9.351   3.389
  472   2HG   GLN  61          3HG       GLN  61  11.482   8.457   4.872
  473   1HE2  GLN  61          2HE2      GLN  61  12.443   6.038   4.796
  474   2HE2  GLN  61          1HE2      GLN  61  14.087   5.914   4.133
  475    H    LEU  62           H        LEU  62   7.592   7.134   4.003
  476    HA   LEU  62           HA       LEU  62   6.531   5.615   1.840
  477   1HB   LEU  62          2HB       LEU  62   6.364   5.469   4.528
  478   2HB   LEU  62          3HB       LEU  62   4.883   6.349   4.261
  479    HG   LEU  62           HG       LEU  62   4.388   4.028   4.444
  480   1HD1  LEU  62          1HD1      LEU  62   3.272   3.452   2.380
  481   2HD1  LEU  62          2HD1      LEU  62   3.102   5.189   2.667
  482   3HD1  LEU  62          3HD1      LEU  62   4.272   4.599   1.470
  483   1HD2  LEU  62          1HD2      LEU  62   5.373   2.264   3.101
  484   2HD2  LEU  62          2HD2      LEU  62   6.365   3.435   2.215
  485   3HD2  LEU  62          3HD2      LEU  62   6.649   3.162   3.943
  486    H    GLN  63           H        GLN  63   5.456   8.685   3.353
  487    HA   GLN  63           HA       GLN  63   3.249   9.232   1.682
  488   1HB   GLN  63          2HB       GLN  63   3.677  10.443   3.759
  489   2HB   GLN  63          3HB       GLN  63   5.219  11.025   3.158
  490   1HG   GLN  63          2HG       GLN  63   3.636  12.821   3.126
  491   2HG   GLN  63          3HG       GLN  63   4.089  12.433   1.477
  492   1HE2  GLN  63          2HE2      GLN  63   2.491  11.119   0.165
  493   2HE2  GLN  63          1HE2      GLN  63   0.783  11.354   0.521
  494    H    SER  64           H        SER  64   6.749  10.032   1.267
  495    HA   SER  64           HA       SER  64   6.424  11.474  -1.168
  496   1HB   SER  64          2HB       SER  64   8.826   9.858  -0.203
  497   2HB   SER  64          3HB       SER  64   8.831  11.100  -1.462
  498    HG   SER  64           HG       SER  64   8.253  11.432   1.316
  499    H    ALA  65           H        ALA  65   6.978   7.958  -0.551
  500    HA   ALA  65           HA       ALA  65   7.105   7.197  -3.291
  501   1HB   ALA  65          1HB       ALA  65   6.584   4.958  -2.483
  502   2HB   ALA  65          2HB       ALA  65   7.810   5.717  -1.456
  503   3HB   ALA  65          3HB       ALA  65   6.124   5.590  -0.892
  504    H    LEU  66           H        LEU  66   4.289   7.454  -1.039
  505    HA   LEU  66           HA       LEU  66   2.320   6.633  -2.904
  506   1HB   LEU  66          2HB       LEU  66   2.344   8.154  -0.336
  507   2HB   LEU  66          3HB       LEU  66   1.023   8.586  -1.393
  508    HG   LEU  66           HG       LEU  66   0.388   6.875   0.219
  509   1HD1  LEU  66          1HD1      LEU  66   0.345   5.726  -2.605
  510   2HD1  LEU  66          2HD1      LEU  66  -0.742   5.337  -1.266
  511   3HD1  LEU  66          3HD1      LEU  66  -0.768   6.959  -1.977
  512   1HD2  LEU  66          1HD2      LEU  66   2.556   5.735   0.402
  513   2HD2  LEU  66          2HD2      LEU  66   1.232   4.596   0.105
  514   3HD2  LEU  66          3HD2      LEU  66   2.347   5.030  -1.209
  515    H    ALA  67           H        ALA  67   3.724   9.907  -2.380
  516    HA   ALA  67           HA       ALA  67   1.970  11.162  -4.257
  517   1HB   ALA  67          1HB       ALA  67   3.582  13.030  -4.185
  518   2HB   ALA  67          2HB       ALA  67   3.277  12.417  -2.547
  519   3HB   ALA  67          3HB       ALA  67   4.782  11.990  -3.391
  520    H    HIS  68           H        HIS  68   5.264   9.858  -4.652
  521    HA   HIS  68           HA       HIS  68   5.578  10.358  -7.415
  522   1HB   HIS  68          2HB       HIS  68   7.505   9.681  -6.315
  523   2HB   HIS  68          3HB       HIS  68   6.682   8.453  -5.368
  524    HD1  HIS  68           1HD      HIS  68   8.252   8.821  -8.869
  525    HD2  HIS  68           2HD      HIS  68   6.434   6.031  -6.288
  526    HE1  HIS  68           1HE      HIS  68   8.620   6.533  -9.923
  527    H    TRP  69           H        TRP  69   4.077   7.560  -5.738
  528    HA   TRP  69           HA       TRP  69   3.711   6.026  -8.104
  529   1HB   TRP  69          2HB       TRP  69   3.999   5.184  -5.810
  530   2HB   TRP  69          3HB       TRP  69   2.457   5.863  -5.334
  531    HD1  TRP  69           HD1      TRP  69   2.467   3.960  -8.637
  532    HE1  TRP  69           HE1      TRP  69   1.322   1.728  -8.343
  533    HE3  TRP  69           HE3      TRP  69   2.119   3.929  -3.533
  534    HZ2  TRP  69           HZ2      TRP  69   0.269   0.115  -6.152
  535    HZ3  TRP  69           HZ3      TRP  69   1.027   2.021  -2.363
  536    HH2  TRP  69           HH2      TRP  69   0.099   0.125  -3.669
  537    H    THR  70           H        THR  70   1.375   7.934  -6.105
  538    HA   THR  70           HA       THR  70  -0.789   7.130  -7.901
  539    HB   THR  70           HB       THR  70  -2.256   8.202  -6.292
  540    HG1  THR  70           1HG      THR  70   0.091   8.889  -4.824
  541   1HG2  THR  70          1HG2      THR  70  -0.117   6.572  -4.846
  542   2HG2  THR  70          2HG2      THR  70  -1.811   6.781  -4.372
  543   3HG2  THR  70          3HG2      THR  70  -1.406   5.894  -5.854
  544    H    GLY  71           H        GLY  71   1.380   9.830  -7.748
  545   1HA   GLY  71          1HA       GLY  71   1.481  11.780  -8.916
  546   2HA   GLY  71          2HA       GLY  71   0.143  11.227  -9.943
  547    H    ARG  72           H        ARG  72  -0.363  11.225  -6.482
  548    HA   ARG  72           HA       ARG  72  -1.811  13.826  -6.513
  549   1HB   ARG  72          2HB       ARG  72  -3.480  12.182  -7.162
  550   2HB   ARG  72          3HB       ARG  72  -2.984  11.083  -5.868
  551   1HG   ARG  72          2HG       ARG  72  -3.730  12.713  -4.178
  552   2HG   ARG  72          3HG       ARG  72  -4.236  13.839  -5.449
  553   1HD   ARG  72          2HD       ARG  72  -5.978  12.363  -6.186
  554   2HD   ARG  72          3HD       ARG  72  -5.338  11.002  -5.263
  555    HE   ARG  72           HE       ARG  72  -7.016  13.175  -4.296
  556   1HH1  ARG  72          1HH2      ARG  72  -4.730  10.641  -3.299
  557   2HH1  ARG  72          2HH2      ARG  72  -5.013  10.911  -1.608
  558   1HH2  ARG  72          1HH1      ARG  72  -7.530  13.285  -1.999
  559   2HH2  ARG  72          2HH1      ARG  72  -6.884  12.045  -0.951
  560    H    GLY  73           H        GLY  73  -1.049  10.937  -4.477
  561   1HA   GLY  73          1HA       GLY  73   0.235  10.747  -2.612
  562   2HA   GLY  73          2HA       GLY  73   0.724  12.434  -2.813
  563    H    THR  74           H        THR  74  -2.001  13.580  -2.556
  564    HA   THR  74           HA       THR  74  -1.889  14.122   0.160
  565    HB   THR  74           HB       THR  74  -4.233  15.142  -0.367
  566    HG1  THR  74           1HG      THR  74  -4.733  15.224  -2.532
  567   1HG2  THR  74          1HG2      THR  74  -3.206  16.949  -1.692
  568   2HG2  THR  74          2HG2      THR  74  -2.114  16.430  -0.400
  569   3HG2  THR  74          3HG2      THR  74  -1.814  15.910  -2.072
  570    H    VAL  75           H        VAL  75  -3.570  13.891   1.827
  571    HA   VAL  75           HA       VAL  75  -4.458  11.078   1.885
  572    HB   VAL  75           HB       VAL  75  -4.441  11.423   4.370
  573   1HG1  VAL  75          1HG1      VAL  75  -2.030  11.021   4.520
  574   2HG1  VAL  75          2HG1      VAL  75  -2.708  10.176   3.124
  575   3HG1  VAL  75          3HG1      VAL  75  -1.789  11.676   2.888
  576   1HG2  VAL  75          1HG2      VAL  75  -2.714  13.863   3.772
  577   2HG2  VAL  75          2HG2      VAL  75  -4.379  13.927   4.403
  578   3HG2  VAL  75          3HG2      VAL  75  -3.107  13.161   5.350
  579    HA   PRO  76           HA       PRO  76  -5.868   9.801   3.142
  580   1HB   PRO  76          2HB       PRO  76  -8.195   8.505   2.489
  581   2HB   PRO  76          3HB       PRO  76  -7.882   9.232   4.088
  582   1HG   PRO  76          2HG       PRO  76  -9.449  10.373   1.781
  583   2HG   PRO  76          3HG       PRO  76  -9.847  10.384   3.530
  584   1HD   PRO  76          2HD       PRO  76  -8.720  12.537   2.202
  585   2HD   PRO  76          3HD       PRO  76  -8.415  12.199   3.930
  586    H    ASN  77           H        ASN  77  -5.516   8.051   1.645
  587    HA   ASN  77           HA       ASN  77  -6.042   8.556  -1.248
  588   1HB   ASN  77          2HB       ASN  77  -3.589   9.012  -0.271
  589   2HB   ASN  77          3HB       ASN  77  -3.467   7.261  -0.301
  590   1HD2  ASN  77          2HD2      ASN  77  -2.098   9.417  -1.908
  591   2HD2  ASN  77          1HD2      ASN  77  -2.300   8.886  -3.563
  592    H    VAL  78           H        VAL  78  -7.562   7.001  -1.606
  593    HA   VAL  78           HA       VAL  78  -7.630   4.687   0.222
  594    HB   VAL  78           HB       VAL  78  -9.831   5.424  -1.723
  595   1HG1  VAL  78          1HG1      VAL  78 -11.234   4.476   0.122
  596   2HG1  VAL  78          2HG1      VAL  78 -10.031   3.314  -0.445
  597   3HG1  VAL  78          3HG1      VAL  78  -9.777   4.198   1.075
  598   1HG2  VAL  78          1HG2      VAL  78  -9.350   6.800   0.957
  599   2HG2  VAL  78          2HG2      VAL  78  -9.468   7.568  -0.639
  600   3HG2  VAL  78          3HG2      VAL  78 -10.890   6.818   0.074
  601    H    PHE  79           H        PHE  79  -7.557   2.598  -0.450
  602    HA   PHE  79           HA       PHE  79  -7.219   1.968  -3.331
  603   1HB   PHE  79          2HB       PHE  79  -5.611   1.028  -0.915
  604   2HB   PHE  79          3HB       PHE  79  -5.642   0.155  -2.431
  605    HD1  PHE  79           1HD      PHE  79  -3.879   0.481  -3.902
  606    HD2  PHE  79           2HD      PHE  79  -4.916   3.665  -1.177
  607    HE1  PHE  79           1HE      PHE  79  -1.960   1.815  -4.711
  608    HE2  PHE  79           2HE      PHE  79  -3.028   5.008  -2.033
  609    HZ   PHE  79           HZ       PHE  79  -1.518   4.074  -3.777
  610    H    ILE  80           H        ILE  80  -8.311   0.098  -3.934
  611    HA   ILE  80           HA       ILE  80  -9.501  -1.645  -1.884
  612    HB   ILE  80           HB       ILE  80 -11.149  -0.314  -4.086
  613   1HG1  ILE  80          2HG1      ILE  80 -11.511  -0.178  -1.070
  614   2HG1  ILE  80          3HG1      ILE  80 -10.821   1.114  -2.044
  615   1HG2  ILE  80          1HG2      ILE  80 -11.753  -2.627  -2.210
  616   2HG2  ILE  80          2HG2      ILE  80 -13.031  -1.721  -3.020
  617   3HG2  ILE  80          3HG2      ILE  80 -11.840  -2.572  -3.986
  618   1HD1  ILE  80          1HD1      ILE  80 -13.071   1.689  -1.554
  619   2HD1  ILE  80          2HD1      ILE  80 -12.975   1.316  -3.281
  620   3HD1  ILE  80          3HD1      ILE  80 -13.696   0.150  -2.148
  621    H    GLY  81           H        GLY  81  -9.497  -3.769  -2.633
  622   1HA   GLY  81          1HA       GLY  81  -8.879  -5.561  -3.906
  623   2HA   GLY  81          2HA       GLY  81  -9.337  -4.621  -5.340
  624    H    GLY  82           H        GLY  82  -6.818  -3.517  -3.086
  625   1HA   GLY  82          1HA       GLY  82  -4.573  -3.225  -3.308
  626   2HA   GLY  82          2HA       GLY  82  -4.545  -4.538  -4.491
  627    H    LYS  83           H        LYS  83  -6.661  -1.772  -5.189
  628    HA   LYS  83           HA       LYS  83  -4.616  -0.621  -7.038
  629   1HB   LYS  83          2HB       LYS  83  -6.272  -2.126  -8.188
  630   2HB   LYS  83          3HB       LYS  83  -7.583  -1.105  -7.580
  631   1HG   LYS  83          2HG       LYS  83  -6.659   0.825  -8.846
  632   2HG   LYS  83          3HG       LYS  83  -5.323  -0.194  -9.418
  633   1HD   LYS  83          2HD       LYS  83  -6.963  -1.674 -10.575
  634   2HD   LYS  83          3HD       LYS  83  -8.288  -0.695  -9.938
  635   1HE   LYS  83          2HE       LYS  83  -7.952  -0.026 -12.203
  636   2HE   LYS  83          3HE       LYS  83  -7.407   1.293 -11.166
  637   1HZ   LYS  83          1HZ       LYS  83  -5.120   0.563 -11.567
  638   2HZ   LYS  83          2HZ       LYS  83  -5.636  -0.679 -12.501
  639   3HZ   LYS  83          3HZ       LYS  83  -5.868   0.856 -12.981
  640    H    GLN  84           H        GLN  84  -4.615   1.645  -7.082
  641    HA   GLN  84           HA       GLN  84  -5.843   3.008  -4.868
  642   1HB   GLN  84          2HB       GLN  84  -3.657   3.585  -6.006
  643   2HB   GLN  84          3HB       GLN  84  -4.558   4.225  -7.363
  644   1HG   GLN  84          2HG       GLN  84  -5.173   5.191  -4.537
  645   2HG   GLN  84          3HG       GLN  84  -3.708   5.724  -5.320
  646   1HE2  GLN  84          2HE2      GLN  84  -5.099   7.743  -4.681
  647   2HE2  GLN  84          1HE2      GLN  84  -5.940   8.458  -6.058
  648    H    ILE  85           H        ILE  85  -7.680   4.279  -4.833
  649    HA   ILE  85           HA       ILE  85  -9.474   4.084  -7.216
  650    HB   ILE  85           HB       ILE  85 -10.155   4.373  -4.266
  651   1HG1  ILE  85          2HG1      ILE  85  -9.276   2.170  -4.542
  652   2HG1  ILE  85          3HG1      ILE  85 -11.014   2.067  -4.402
  653   1HG2  ILE  85          1HG2      ILE  85 -11.958   3.947  -6.683
  654   2HG2  ILE  85          2HG2      ILE  85 -12.477   3.840  -4.984
  655   3HG2  ILE  85          3HG2      ILE  85 -11.895   5.375  -5.632
  656   1HD1  ILE  85          1HD1      ILE  85  -9.383   1.738  -6.959
  657   2HD1  ILE  85          2HD1      ILE  85 -10.256   0.486  -6.075
  658   3HD1  ILE  85          3HD1      ILE  85 -11.156   1.763  -6.912
  659    H    GLY  86           H        GLY  86  -8.478   6.304  -4.496
  660   1HA   GLY  86          1HA       GLY  86  -8.253   8.662  -5.887
  661   2HA   GLY  86          2HA       GLY  86  -9.992   8.476  -5.652
  662    H    GLY  87           H        GLY  87 -10.149  10.208  -4.264
  663   1HA   GLY  87          1HA       GLY  87  -8.813  10.024  -1.586
  664   2HA   GLY  87          2HA       GLY  87  -9.350  11.515  -2.373
  665    H    CYS  88           H        CYS  88 -10.431  11.673  -0.200
  666    HA   CYS  88           HA       CYS  88 -12.575  10.048   0.616
  667   1HB   CYS  88          2HB       CYS  88 -11.503  11.799   2.026
  668   2HB   CYS  88          3HB       CYS  88 -12.192  13.062   0.986
  669    HG   CYS  88           HG       CYS  88 -13.713  10.805   2.871
  670    H    ASP  89           H        ASP  89 -12.661  13.006  -1.445
  671    HA   ASP  89           HA       ASP  89 -15.457  13.022  -1.816
  672   1HB   ASP  89          2HB       ASP  89 -14.026  14.921  -2.399
  673   2HB   ASP  89          3HB       ASP  89 -13.226  13.974  -3.657
  674    H    THR  90           H        THR  90 -12.931  11.169  -3.575
  675    HA   THR  90           HA       THR  90 -14.609  10.297  -5.684
  676    HB   THR  90           HB       THR  90 -12.321   8.690  -4.498
  677    HG1  THR  90           1HG      THR  90 -12.115  11.007  -6.124
  678   1HG2  THR  90          1HG2      THR  90 -11.897   8.202  -6.917
  679   2HG2  THR  90          2HG2      THR  90 -13.473   7.636  -6.343
  680   3HG2  THR  90          3HG2      THR  90 -13.372   9.112  -7.324
  681    H    VAL  91           H        VAL  91 -13.776   8.679  -2.499
  682    HA   VAL  91           HA       VAL  91 -15.543   6.493  -3.192
  683    HB   VAL  91           HB       VAL  91 -15.245   5.736  -0.856
  684   1HG1  VAL  91          1HG1      VAL  91 -12.946   5.049  -1.199
  685   2HG1  VAL  91          2HG1      VAL  91 -13.771   5.063  -2.755
  686   3HG1  VAL  91          3HG1      VAL  91 -12.653   6.381  -2.338
  687   1HG2  VAL  91          1HG2      VAL  91 -14.829   7.935   0.267
  688   2HG2  VAL  91          2HG2      VAL  91 -13.573   6.729   0.584
  689   3HG2  VAL  91          3HG2      VAL  91 -13.267   8.039  -0.571
  690    H    VAL  92           H        VAL  92 -16.044   9.551  -1.372
  691    HA   VAL  92           HA       VAL  92 -18.640   8.829  -0.413
  692    HB   VAL  92           HB       VAL  92 -17.318  11.499  -1.043
  693   1HG1  VAL  92          1HG1      VAL  92 -20.008  11.043   0.327
  694   2HG1  VAL  92          2HG1      VAL  92 -19.123  12.582   0.268
  695   3HG1  VAL  92          3HG1      VAL  92 -19.744  11.876  -1.223
  696   1HG2  VAL  92          1HG2      VAL  92 -18.040  10.176   1.618
  697   2HG2  VAL  92          2HG2      VAL  92 -16.420  10.161   0.905
  698   3HG2  VAL  92          3HG2      VAL  92 -17.145  11.693   1.392
  699    H    GLU  93           H        GLU  93 -17.561  10.375  -3.529
  700    HA   GLU  93           HA       GLU  93 -20.146  10.662  -4.646
  701   1HB   GLU  93          2HB       GLU  93 -18.148  11.758  -5.541
  702   2HB   GLU  93          3HB       GLU  93 -17.437  10.199  -5.986
  703   1HG   GLU  93          2HG       GLU  93 -19.276   9.785  -7.574
  704   2HG   GLU  93          3HG       GLU  93 -20.051  11.300  -7.106
  705    H    LYS  94           H        LYS  94 -17.780   7.958  -4.937
  706    HA   LYS  94           HA       LYS  94 -19.442   6.305  -6.566
  707   1HB   LYS  94          2HB       LYS  94 -17.186   5.628  -4.638
  708   2HB   LYS  94          3HB       LYS  94 -17.959   4.444  -5.706
  709   1HG   LYS  94          2HG       LYS  94 -17.294   5.690  -7.687
  710   2HG   LYS  94          3HG       LYS  94 -16.657   7.005  -6.725
  711   1HD   LYS  94          2HD       LYS  94 -14.740   5.818  -7.365
  712   2HD   LYS  94          3HD       LYS  94 -15.015   5.347  -5.694
  713   1HE   LYS  94          2HE       LYS  94 -14.467   3.344  -6.806
  714   2HE   LYS  94          3HE       LYS  94 -16.220   3.261  -6.604
  715   1HZ   LYS  94          1HZ       LYS  94 -15.529   2.629  -8.848
  716   2HZ   LYS  94          2HZ       LYS  94 -16.437   3.985  -8.944
  717   3HZ   LYS  94          3HZ       LYS  94 -14.805   4.064  -9.096
  718    H    HIS  95           H        HIS  95 -19.404   6.735  -2.988
  719    HA   HIS  95           HA       HIS  95 -21.290   4.596  -2.577
  720   1HB   HIS  95          2HB       HIS  95 -19.909   5.521  -0.746
  721   2HB   HIS  95          3HB       HIS  95 -20.763   7.057  -0.868
  722    HD1  HIS  95           1HD      HIS  95 -22.170   3.405  -0.594
  723    HD2  HIS  95           2HD      HIS  95 -22.394   7.231   1.143
  724    HE1  HIS  95           1HE      HIS  95 -23.982   3.278   1.179
  725    H    GLN  96           H        GLN  96 -21.683   8.143  -3.205
  726    HA   GLN  96           HA       GLN  96 -24.478   8.186  -2.811
  727   1HB   GLN  96          2HB       GLN  96 -23.018   9.871  -4.893
  728   2HB   GLN  96          3HB       GLN  96 -24.601  10.164  -4.202
  729   1HG   GLN  96          2HG       GLN  96 -21.908  10.648  -3.001
  730   2HG   GLN  96          3HG       GLN  96 -23.279  11.708  -3.121
  731   1HE2  GLN  96          2HE2      GLN  96 -21.592   9.525  -1.087
  732   2HE2  GLN  96          1HE2      GLN  96 -22.727   9.544   0.261
  733    H    ARG  97           H        ARG  97 -22.634   7.443  -5.823
  734    HA   ARG  97           HA       ARG  97 -25.158   6.783  -7.196
  735   1HB   ARG  97          2HB       ARG  97 -23.853   6.430  -9.181
  736   2HB   ARG  97          3HB       ARG  97 -23.494   7.990  -8.456
  737   1HG   ARG  97          2HG       ARG  97 -21.346   7.259  -7.684
  738   2HG   ARG  97          3HG       ARG  97 -21.707   5.559  -8.031
  739   1HD   ARG  97          2HD       ARG  97 -21.778   6.012 -10.426
  740   2HD   ARG  97          3HD       ARG  97 -21.602   7.744 -10.154
  741    HE   ARG  97           HE       ARG  97 -19.511   5.641  -9.741
  742   1HH1  ARG  97          1HH2      ARG  97 -20.231   9.108 -10.051
  743   2HH1  ARG  97          2HH2      ARG  97 -18.557   9.563  -9.959
  744   1HH2  ARG  97          1HH1      ARG  97 -17.466   6.158  -9.978
  745   2HH2  ARG  97          2HH1      ARG  97 -16.906   7.817 -10.124
  746    H    ASN  98           H        ASN  98 -23.768   5.114  -4.880
  747    HA   ASN  98           HA       ASN  98 -23.532   3.003  -4.257
  748   1HB   ASN  98          2HB       ASN  98 -26.015   3.245  -4.606
  749   2HB   ASN  98          3HB       ASN  98 -25.829   2.414  -6.153
  750   1HD2  ASN  98          2HD2      ASN  98 -24.989   2.013  -2.634
  751   2HD2  ASN  98          1HD2      ASN  98 -25.298   0.299  -2.612
  752    H    GLU  99           H        GLU  99 -21.691   3.692  -6.211
  753    HA   GLU  99           HA       GLU  99 -21.235   1.217  -7.800
  754   1HB   GLU  99          2HB       GLU  99 -21.011   3.438  -8.883
  755   2HB   GLU  99          3HB       GLU  99 -19.754   3.877  -7.719
  756   1HG   GLU  99          2HG       GLU  99 -18.315   2.059  -8.588
  757   2HG   GLU  99          3HG       GLU  99 -19.604   1.554  -9.694
  758    H    LEU 100           H        LEU 100 -20.191   3.006  -4.930
  759    HA   LEU 100           HA       LEU 100 -17.691   1.728  -4.515
  760   1HB   LEU 100          2HB       LEU 100 -18.439   3.765  -3.300
  761   2HB   LEU 100          3HB       LEU 100 -19.662   2.811  -2.455
  762    HG   LEU 100           HG       LEU 100 -17.854   1.479  -1.375
  763   1HD1  LEU 100          1HD1      LEU 100 -15.983   3.443  -2.778
  764   2HD1  LEU 100          2HD1      LEU 100 -15.513   2.347  -1.461
  765   3HD1  LEU 100          3HD1      LEU 100 -16.035   1.677  -3.005
  766   1HD2  LEU 100          1HD2      LEU 100 -17.605   4.486  -1.010
  767   2HD2  LEU 100          2HD2      LEU 100 -18.794   3.419  -0.225
  768   3HD2  LEU 100          3HD2      LEU 100 -17.076   3.246   0.148
  769    H    LEU 101           H        LEU 101 -21.011   0.714  -3.597
  770    HA   LEU 101           HA       LEU 101 -20.133  -1.454  -1.950
  771   1HB   LEU 101          2HB       LEU 101 -22.773  -0.672  -3.164
  772   2HB   LEU 101          3HB       LEU 101 -22.572  -2.329  -2.626
  773    HG   LEU 101           HG       LEU 101 -23.634  -0.945  -0.939
  774   1HD1  LEU 101          1HD1      LEU 101 -22.369  -1.637   0.985
  775   2HD1  LEU 101          2HD1      LEU 101 -22.222  -2.891  -0.251
  776   3HD1  LEU 101          3HD1      LEU 101 -20.871  -1.777   0.051
  777   1HD2  LEU 101          1HD2      LEU 101 -21.031   0.616  -0.696
  778   2HD2  LEU 101          2HD2      LEU 101 -22.518   1.208  -1.484
  779   3HD2  LEU 101          3HD2      LEU 101 -22.525   0.826   0.245
  780    HA   PRO 102           HA       PRO 102 -20.600  -4.248  -5.961
  781   1HB   PRO 102          2HB       PRO 102 -19.914  -1.982  -7.857
  782   2HB   PRO 102          3HB       PRO 102 -20.743  -3.529  -8.215
  783   1HG   PRO 102          2HG       PRO 102 -22.172  -1.250  -7.845
  784   2HG   PRO 102          3HG       PRO 102 -22.739  -2.789  -7.124
  785   1HD   PRO 102          2HD       PRO 102 -21.375  -0.486  -5.774
  786   2HD   PRO 102          3HD       PRO 102 -22.643  -1.584  -5.170
  787    H    LEU 103           H        LEU 103 -18.321  -1.417  -5.964
  788    HA   LEU 103           HA       LEU 103 -16.062  -2.928  -6.811
  789   1HB   LEU 103          2HB       LEU 103 -16.158  -0.515  -6.990
  790   2HB   LEU 103          3HB       LEU 103 -16.347  -0.339  -5.246
  791    HG   LEU 103           HG       LEU 103 -14.082  -1.159  -4.859
  792   1HD1  LEU 103          1HD1      LEU 103 -13.832  -1.321  -7.895
  793   2HD1  LEU 103          2HD1      LEU 103 -12.481  -1.438  -6.744
  794   3HD1  LEU 103          3HD1      LEU 103 -13.731  -2.682  -6.756
  795   1HD2  LEU 103          1HD2      LEU 103 -14.538   1.255  -5.241
  796   2HD2  LEU 103          2HD2      LEU 103 -12.900   0.774  -5.697
  797   3HD2  LEU 103          3HD2      LEU 103 -14.122   1.032  -6.961
  798    H    LEU 104           H        LEU 104 -17.194  -2.055  -3.502
  799    HA   LEU 104           HA       LEU 104 -15.082  -3.356  -2.082
  800   1HB   LEU 104          2HB       LEU 104 -17.949  -2.625  -1.392
  801   2HB   LEU 104          3HB       LEU 104 -16.915  -3.431  -0.233
  802    HG   LEU 104           HG       LEU 104 -16.192  -0.738  -1.493
  803   1HD1  LEU 104          1HD1      LEU 104 -16.930   0.208   0.672
  804   2HD1  LEU 104          2HD1      LEU 104 -18.268  -0.544  -0.216
  805   3HD1  LEU 104          3HD1      LEU 104 -17.542  -1.395   1.157
  806   1HD2  LEU 104          1HD2      LEU 104 -15.097  -2.143   0.979
  807   2HD2  LEU 104          2HD2      LEU 104 -14.245  -1.984  -0.573
  808   3HD2  LEU 104          3HD2      LEU 104 -14.623  -0.547   0.374
  809    H    GLN 105           H        GLN 105 -18.282  -4.543  -3.207
  810    HA   GLN 105           HA       GLN 105 -18.081  -7.119  -2.006
  811   1HB   GLN 105          2HB       GLN 105 -19.637  -6.052  -4.395
  812   2HB   GLN 105          3HB       GLN 105 -19.823  -7.688  -3.787
  813   1HG   GLN 105          2HG       GLN 105 -20.238  -5.342  -1.919
  814   2HG   GLN 105          3HG       GLN 105 -21.492  -5.857  -3.039
  815   1HE2  GLN 105          2HE2      GLN 105 -22.976  -7.228  -2.100
  816   2HE2  GLN 105          1HE2      GLN 105 -22.603  -8.395  -0.860
  817    H    ASP 106           H        ASP 106 -17.150  -5.934  -5.249
  818    HA   ASP 106           HA       ASP 106 -16.248  -8.443  -6.286
  819   1HB   ASP 106          2HB       ASP 106 -16.697  -6.529  -7.720
  820   2HB   ASP 106          3HB       ASP 106 -15.420  -5.594  -6.939
  821    H    ALA 107           H        ALA 107 -14.579  -5.902  -4.384
  822    HA   ALA 107           HA       ALA 107 -12.042  -7.301  -4.332
  823   1HB   ALA 107          1HB       ALA 107 -13.152  -5.083  -2.557
  824   2HB   ALA 107          2HB       ALA 107 -11.455  -5.596  -2.647
  825   3HB   ALA 107          3HB       ALA 107 -12.229  -4.864  -4.064
  826    H    ALA 108           H        ALA 108 -14.947  -8.212  -2.936
  827    HA   ALA 108           HA       ALA 108 -15.683  -9.224  -1.103
  828   1HB   ALA 108          1HB       ALA 108 -14.410 -11.069  -2.129
  829   2HB   ALA 108          2HB       ALA 108 -13.004 -10.655  -1.118
  830   3HB   ALA 108          3HB       ALA 108 -14.515 -11.204  -0.360
  831    H    ALA 109           H        ALA 109 -14.730  -6.695  -0.607
  832    HA   ALA 109           HA       ALA 109 -12.975  -6.485   1.655
  833   1HB   ALA 109          1HB       ALA 109 -13.386  -4.668   0.002
  834   2HB   ALA 109          2HB       ALA 109 -15.085  -4.595   0.543
  835   3HB   ALA 109          3HB       ALA 109 -13.790  -4.155   1.662
  836    H    THR 110           H        THR 110 -16.029  -7.861   1.633
  837    HA   THR 110           HA       THR 110 -16.480  -7.327   4.448
  838    HB   THR 110           HB       THR 110 -17.601  -5.413   3.543
  839    HG1  THR 110           1HG      THR 110 -18.980  -5.957   4.929
  840   1HG2  THR 110          1HG2      THR 110 -17.864  -5.875   1.208
  841   2HG2  THR 110          2HG2      THR 110 -18.959  -7.234   1.536
  842   3HG2  THR 110          3HG2      THR 110 -19.458  -5.563   1.894
  843    H    ALA 111           H        ALA 111 -17.899  -8.884   5.303
  844    HA   ALA 111           HA       ALA 111 -17.826 -11.481   4.080
  845   1HB   ALA 111          1HB       ALA 111 -19.116 -12.172   6.065
  846   2HB   ALA 111          2HB       ALA 111 -17.767 -11.122   6.531
  847   3HB   ALA 111          3HB       ALA 111 -19.425 -10.473   6.478
  848    H    LYS 112           H        LYS 112 -19.972  -8.834   3.550
  849    HA   LYS 112           HA       LYS 112 -22.460 -10.088   3.300
  850   1HB   LYS 112          2HB       LYS 112 -21.266  -7.729   1.792
  851   2HB   LYS 112          3HB       LYS 112 -22.958  -8.223   1.638
  852   1HG   LYS 112          2HG       LYS 112 -23.354  -7.885   4.015
  853   2HG   LYS 112          3HG       LYS 112 -21.651  -7.497   4.298
  854   1HD   LYS 112          2HD       LYS 112 -21.828  -5.493   2.887
  855   2HD   LYS 112          3HD       LYS 112 -23.523  -5.890   2.506
  856   1HE   LYS 112          2HE       LYS 112 -24.091  -5.750   4.922
  857   2HE   LYS 112          3HE       LYS 112 -22.411  -5.344   5.300
  858   1HZ   LYS 112          1HZ       LYS 112 -22.654  -3.302   4.064
  859   2HZ   LYS 112          2HZ       LYS 112 -24.183  -3.694   3.590
  860   3HZ   LYS 112          3HZ       LYS 112 -23.862  -3.394   5.159
  861    H    ASN 113           H        ASN 113 -19.772 -10.177   0.971
  862    HA   ASN 113           HA       ASN 113 -20.970 -12.580  -0.106
  863   1HB   ASN 113          2HB       ASN 113 -21.982 -10.830  -1.598
  864   2HB   ASN 113          3HB       ASN 113 -20.353 -10.320  -2.044
  865   1HD2  ASN 113          2HD2      ASN 113 -22.912 -12.517  -2.794
  866   2HD2  ASN 113          1HD2      ASN 113 -22.007 -13.571  -3.846
  867    HA   PRO 114           HA       PRO 114 -16.586 -13.074   0.253
  868   1HB   PRO 114          2HB       PRO 114 -16.238 -15.676  -0.539
  869   2HB   PRO 114          3HB       PRO 114 -17.100 -15.211   0.957
  870   1HG   PRO 114          2HG       PRO 114 -18.309 -15.840  -1.760
  871   2HG   PRO 114          3HG       PRO 114 -18.756 -16.536  -0.165
  872   1HD   PRO 114          2HD       PRO 114 -20.127 -14.453  -1.225
  873   2HD   PRO 114          3HD       PRO 114 -19.781 -14.515   0.528
  874    H    ALA 115           H        ALA 115 -17.973 -12.801  -2.909
  875    HA   ALA 115           HA       ALA 115 -15.253 -12.758  -4.109
  876   1HB   ALA 115          1HB       ALA 115 -16.051 -15.090  -4.303
  877   2HB   ALA 115          2HB       ALA 115 -17.532 -14.520  -5.110
  878   3HB   ALA 115          3HB       ALA 115 -15.951 -14.310  -5.890
  879    H    GLN 116           H        GLN 116 -18.714 -11.776  -4.464
  880    HA   GLN 116           HA       GLN 116 -17.926  -9.873  -6.573
  881   1HB   GLN 116          2HB       GLN 116 -19.538 -10.811  -8.186
  882   2HB   GLN 116          3HB       GLN 116 -18.235 -11.940  -7.860
  883   1HG   GLN 116          2HG       GLN 116 -19.624 -13.389  -6.583
  884   2HG   GLN 116          3HG       GLN 116 -20.863 -12.162  -6.338
  885   1HE2  GLN 116          2HE2      GLN 116 -22.272 -11.542  -8.096
  886   2HE2  GLN 116          1HE2      GLN 116 -22.512 -12.637  -9.456
  887    H    LEU 117           H        LEU 117 -19.995  -8.754  -7.439
  888    HA   LEU 117           HA       LEU 117 -21.623  -7.727  -5.284
  889   1HB   LEU 117          2HB       LEU 117 -21.200  -6.398  -7.322
  890   2HB   LEU 117          3HB       LEU 117 -21.943  -7.665  -8.313
  891    HG   LEU 117           HG       LEU 117 -24.138  -7.265  -7.226
  892   1HD1  LEU 117          1HD1      LEU 117 -24.467  -5.232  -5.839
  893   2HD1  LEU 117          2HD1      LEU 117 -23.437  -6.408  -5.028
  894   3HD1  LEU 117          3HD1      LEU 117 -22.713  -4.976  -5.790
  895   1HD2  LEU 117          1HD2      LEU 117 -23.578  -6.127  -9.306
  896   2HD2  LEU 117          2HD2      LEU 117 -24.569  -5.081  -8.281
  897   3HD2  LEU 117          3HD2      LEU 117 -22.820  -4.796  -8.413
  Start of MODEL   13
    1   1H    MET   1           H1       MET   1  22.079   6.017  -5.732
    2   2H    MET   1           H2       MET   1  20.697   6.437  -6.493
    3   3H    MET   1           H3       MET   1  22.127   7.096  -6.964
    4    HA   MET   1           HA       MET   1  22.365   8.191  -4.832
    5   1HB   MET   1          2HB       MET   1  21.332   9.425  -6.719
    6   2HB   MET   1          3HB       MET   1  19.734   8.840  -6.245
    7   1HG   MET   1          2HG       MET   1  20.161  11.143  -5.493
    8   2HG   MET   1          3HG       MET   1  19.862  10.065  -4.138
    9   1HE   MET   1          1HE       MET   1  20.770  11.867  -2.420
   10   2HE   MET   1          2HE       MET   1  22.313  12.722  -2.621
   11   3HE   MET   1          3HE       MET   1  21.001  12.974  -3.793
   12    H    ALA   2           H        ALA   2  21.913   8.064  -2.667
   13    HA   ALA   2           HA       ALA   2  20.436   5.952  -1.627
   14   1HB   ALA   2          1HB       ALA   2  22.217   7.128  -0.404
   15   2HB   ALA   2          2HB       ALA   2  21.187   8.575  -0.261
   16   3HB   ALA   2          3HB       ALA   2  20.726   7.066   0.554
   17    H    SER   3           H        SER   3  19.324   9.393  -1.980
   18    HA   SER   3           HA       SER   3  16.869   9.098  -0.723
   19   1HB   SER   3          2HB       SER   3  17.340  10.811  -3.186
   20   2HB   SER   3          3HB       SER   3  16.256  11.130  -1.820
   21    HG   SER   3           HG       SER   3  18.161  12.336  -1.619
   22    H    LYS   4           H        LYS   4  17.718   8.276  -4.089
   23    HA   LYS   4           HA       LYS   4  14.980   7.672  -4.865
   24   1HB   LYS   4          2HB       LYS   4  16.788   8.350  -6.468
   25   2HB   LYS   4          3HB       LYS   4  17.595   6.799  -6.179
   26   1HG   LYS   4          2HG       LYS   4  15.611   5.595  -7.048
   27   2HG   LYS   4          3HG       LYS   4  14.757   7.136  -7.259
   28   1HD   LYS   4          2HD       LYS   4  16.474   7.860  -8.899
   29   2HD   LYS   4          3HD       LYS   4  17.330   6.315  -8.683
   30   1HE   LYS   4          2HE       LYS   4  15.308   5.094  -9.462
   31   2HE   LYS   4          3HE       LYS   4  14.457   6.630  -9.673
   32   1HZ   LYS   4          1HZ       LYS   4  16.095   7.229 -11.362
   33   2HZ   LYS   4          2HZ       LYS   4  16.881   5.808 -11.168
   34   3HZ   LYS   4          3HZ       LYS   4  15.365   5.829 -11.757
   35    H    GLN   5           H        GLN   5  17.798   5.760  -3.685
   36    HA   GLN   5           HA       GLN   5  16.553   3.217  -3.911
   37   1HB   GLN   5          2HB       GLN   5  18.989   3.668  -3.479
   38   2HB   GLN   5          3HB       GLN   5  18.581   4.122  -1.817
   39   1HG   GLN   5          2HG       GLN   5  17.639   1.835  -1.450
   40   2HG   GLN   5          3HG       GLN   5  18.083   1.398  -3.100
   41   1HE2  GLN   5          2HE2      GLN   5  19.182   1.548   0.168
   42   2HE2  GLN   5          1HE2      GLN   5  20.864   1.198  -0.133
   43    H    GLU   6           H        GLU   6  16.480   5.663  -1.255
   44    HA   GLU   6           HA       GLU   6  14.945   4.060   0.547
   45   1HB   GLU   6          2HB       GLU   6  15.524   7.020   0.287
   46   2HB   GLU   6          3HB       GLU   6  14.380   6.427   1.494
   47   1HG   GLU   6          2HG       GLU   6  17.175   5.276   1.249
   48   2HG   GLU   6          3HG       GLU   6  16.840   6.713   2.221
   49    H    LEU   7           H        LEU   7  14.034   6.499  -1.940
   50    HA   LEU   7           HA       LEU   7  11.257   6.481  -1.439
   51   1HB   LEU   7          2HB       LEU   7  12.513   8.136  -2.838
   52   2HB   LEU   7          3HB       LEU   7  12.744   6.892  -4.066
   53    HG   LEU   7           HG       LEU   7  10.251   6.757  -4.364
   54   1HD1  LEU   7          1HD1      LEU   7   8.896   8.668  -3.448
   55   2HD1  LEU   7          2HD1      LEU   7   9.458   7.557  -2.190
   56   3HD1  LEU   7          3HD1      LEU   7  10.275   9.119  -2.424
   57   1HD2  LEU   7          1HD2      LEU   7  11.490   9.521  -4.695
   58   2HD2  LEU   7          2HD2      LEU   7  11.668   8.154  -5.815
   59   3HD2  LEU   7          3HD2      LEU   7  10.077   8.891  -5.575
   60    H    ASP   8           H        ASP   8  13.258   4.392  -3.586
   61    HA   ASP   8           HA       ASP   8  11.042   2.908  -4.648
   62   1HB   ASP   8          2HB       ASP   8  13.206   2.982  -5.776
   63   2HB   ASP   8          3HB       ASP   8  13.998   2.227  -4.390
   64    H    ALA   9           H        ALA   9  13.200   2.356  -1.808
   65    HA   ALA   9           HA       ALA   9  12.072  -0.177  -1.132
   66   1HB   ALA   9          1HB       ALA   9  13.057   0.235   1.101
   67   2HB   ALA   9          2HB       ALA   9  14.208   0.646  -0.187
   68   3HB   ALA   9          3HB       ALA   9  13.341   1.936   0.678
   69    H    ALA  10           H        ALA  10  11.218   3.179  -0.159
   70    HA   ALA  10           HA       ALA  10   9.016   2.489   1.506
   71   1HB   ALA  10          1HB       ALA  10   8.314   4.830   1.135
   72   2HB   ALA  10          2HB       ALA  10  10.036   4.711   1.540
   73   3HB   ALA  10          3HB       ALA  10   9.538   5.003  -0.140
   74    H    LEU  11           H        LEU  11   9.201   3.069  -2.071
   75    HA   LEU  11           HA       LEU  11   6.421   2.759  -2.550
   76   1HB   LEU  11          2HB       LEU  11   7.968   3.633  -4.244
   77   2HB   LEU  11          3HB       LEU  11   8.808   2.086  -4.316
   78    HG   LEU  11           HG       LEU  11   6.796   0.977  -5.221
   79   1HD1  LEU  11          1HD1      LEU  11   4.971   2.258  -4.279
   80   2HD1  LEU  11          2HD1      LEU  11   5.586   3.757  -5.001
   81   3HD1  LEU  11          3HD1      LEU  11   4.906   2.473  -6.027
   82   1HD2  LEU  11          1HD2      LEU  11   6.831   2.055  -7.431
   83   2HD2  LEU  11          2HD2      LEU  11   7.600   3.491  -6.725
   84   3HD2  LEU  11          3HD2      LEU  11   8.459   1.938  -6.744
   85    H    LYS  12           H        LYS  12   9.021   0.232  -2.426
   86    HA   LYS  12           HA       LYS  12   7.260  -1.895  -3.058
   87   1HB   LYS  12          2HB       LYS  12   9.732  -1.986  -3.093
   88   2HB   LYS  12          3HB       LYS  12   9.778  -1.859  -1.330
   89   1HG   LYS  12          2HG       LYS  12   8.572  -4.010  -1.126
   90   2HG   LYS  12          3HG       LYS  12   8.501  -4.156  -2.890
   91   1HD   LYS  12          2HD       LYS  12  11.086  -3.902  -1.295
   92   2HD   LYS  12          3HD       LYS  12  10.350  -5.459  -1.729
   93   1HE   LYS  12          2HE       LYS  12  10.510  -4.851  -4.143
   94   2HE   LYS  12          3HE       LYS  12  11.295  -3.330  -3.704
   95   1HZ   LYS  12          1HZ       LYS  12  13.111  -4.622  -2.740
   96   2HZ   LYS  12          2HZ       LYS  12  12.383  -6.029  -3.152
   97   3HZ   LYS  12          3HZ       LYS  12  12.909  -5.012  -4.308
   98    H    LYS  13           H        LYS  13   8.144  -0.470   0.145
   99    HA   LYS  13           HA       LYS  13   6.458  -2.216   1.644
  100   1HB   LYS  13          2HB       LYS  13   8.246  -0.719   2.590
  101   2HB   LYS  13          3HB       LYS  13   7.175   0.669   2.333
  102   1HG   LYS  13          2HG       LYS  13   5.472  -0.394   3.827
  103   2HG   LYS  13          3HG       LYS  13   6.542  -1.791   4.033
  104   1HD   LYS  13          2HD       LYS  13   8.262  -0.250   5.055
  105   2HD   LYS  13          3HD       LYS  13   7.110   1.078   4.880
  106   1HE   LYS  13          2HE       LYS  13   6.976   0.346   7.144
  107   2HE   LYS  13          3HE       LYS  13   5.489  -0.160   6.340
  108   1HZ   LYS  13          1HZ       LYS  13   7.816  -1.914   6.912
  109   2HZ   LYS  13          2HZ       LYS  13   6.413  -1.912   7.733
  110   3HZ   LYS  13          3HZ       LYS  13   6.437  -2.406   6.182
  111    H    ALA  14           H        ALA  14   5.724   0.952   0.045
  112    HA   ALA  14           HA       ALA  14   3.082   1.149   1.006
  113   1HB   ALA  14          1HB       ALA  14   4.110   2.132  -1.689
  114   2HB   ALA  14          2HB       ALA  14   2.700   2.714  -0.783
  115   3HB   ALA  14          3HB       ALA  14   4.333   2.987  -0.146
  116    H    LYS  15           H        LYS  15   4.333  -0.505  -1.957
  117    HA   LYS  15           HA       LYS  15   1.771  -1.355  -2.892
  118   1HB   LYS  15          2HB       LYS  15   4.572  -2.493  -3.264
  119   2HB   LYS  15          3HB       LYS  15   3.136  -3.182  -4.037
  120   1HG   LYS  15          2HG       LYS  15   2.656  -1.104  -5.189
  121   2HG   LYS  15          3HG       LYS  15   4.001  -0.276  -4.385
  122   1HD   LYS  15          2HD       LYS  15   5.612  -1.784  -5.486
  123   2HD   LYS  15          3HD       LYS  15   4.274  -2.685  -6.238
  124   1HE   LYS  15          2HE       LYS  15   3.541  -0.594  -7.391
  125   2HE   LYS  15          3HE       LYS  15   4.913   0.269  -6.687
  126   1HZ   LYS  15          1HZ       LYS  15   6.388  -1.247  -7.909
  127   2HZ   LYS  15          2HZ       LYS  15   5.109  -2.029  -8.556
  128   3HZ   LYS  15          3HZ       LYS  15   5.389  -0.474  -8.941
  129    H    GLU  16           H        GLU  16   4.093  -2.932  -0.624
  130    HA   GLU  16           HA       GLU  16   2.545  -5.285  -0.268
  131   1HB   GLU  16          2HB       GLU  16   4.950  -4.906   0.435
  132   2HB   GLU  16          3HB       GLU  16   4.360  -3.913   1.764
  133   1HG   GLU  16          2HG       GLU  16   4.803  -6.057   2.668
  134   2HG   GLU  16          3HG       GLU  16   3.054  -5.916   2.601
  135    H    LEU  17           H        LEU  17   2.574  -2.199   1.599
  136    HA   LEU  17           HA       LEU  17   0.546  -2.854   3.459
  137   1HB   LEU  17          2HB       LEU  17   1.378  -0.195   2.229
  138   2HB   LEU  17          3HB       LEU  17   0.165  -0.317   3.494
  139    HG   LEU  17           HG       LEU  17   3.029  -1.296   3.829
  140   1HD1  LEU  17          1HD1      LEU  17   1.778   1.309   4.745
  141   2HD1  LEU  17          2HD1      LEU  17   3.413   0.746   5.131
  142   3HD1  LEU  17          3HD1      LEU  17   2.990   1.129   3.458
  143   1HD2  LEU  17          1HD2      LEU  17   2.493  -1.234   6.245
  144   2HD2  LEU  17          2HD2      LEU  17   0.817  -0.793   5.864
  145   3HD2  LEU  17          3HD2      LEU  17   1.466  -2.384   5.390
  146    H    ALA  18           H        ALA  18   0.280  -1.301   0.243
  147    HA   ALA  18           HA       ALA  18  -2.511  -0.959   0.168
  148   1HB   ALA  18          1HB       ALA  18  -0.555  -1.424  -2.119
  149   2HB   ALA  18          2HB       ALA  18  -2.177  -0.724  -2.256
  150   3HB   ALA  18          3HB       ALA  18  -0.917   0.147  -1.368
  151    H    SER  19           H        SER  19  -0.728  -3.919   0.022
  152    HA   SER  19           HA       SER  19  -2.992  -5.364  -1.271
  153   1HB   SER  19          2HB       SER  19  -0.095  -6.228  -0.943
  154   2HB   SER  19          3HB       SER  19  -1.352  -7.010  -1.919
  155    HG   SER  19           HG       SER  19  -0.018  -4.544  -2.317
  156    H    SER  20           H        SER  20  -1.834  -4.644   1.797
  157    HA   SER  20           HA       SER  20  -1.816  -7.297   2.953
  158   1HB   SER  20          2HB       SER  20  -1.855  -4.508   4.162
  159   2HB   SER  20          3HB       SER  20  -1.619  -6.001   5.083
  160    HG   SER  20           HG       SER  20   0.031  -5.249   2.877
  161    H    ALA  21           H        ALA  21  -4.437  -5.233   2.056
  162    HA   ALA  21           HA       ALA  21  -6.352  -6.971   3.413
  163   1HB   ALA  21          1HB       ALA  21  -7.591  -4.969   4.359
  164   2HB   ALA  21          2HB       ALA  21  -6.013  -5.225   5.119
  165   3HB   ALA  21          3HB       ALA  21  -6.224  -3.953   3.895
  166    HA   PRO  22           HA       PRO  22  -8.422  -6.125  -0.424
  167   1HB   PRO  22          2HB       PRO  22 -11.111  -6.130   0.175
  168   2HB   PRO  22          3HB       PRO  22 -10.086  -7.597   0.158
  169   1HG   PRO  22          2HG       PRO  22 -10.836  -5.887   2.550
  170   2HG   PRO  22          3HG       PRO  22 -10.951  -7.671   2.388
  171   1HD   PRO  22          2HD       PRO  22  -8.846  -6.530   3.615
  172   2HD   PRO  22          3HD       PRO  22  -8.589  -7.913   2.519
  173    H    VAL  23           H        VAL  23  -8.762  -3.844   2.191
  174    HA   VAL  23           HA       VAL  23  -9.098  -1.677   0.239
  175    HB   VAL  23           HB       VAL  23 -10.638  -1.857   2.852
  176   1HG1  VAL  23          1HG1      VAL  23 -10.056   0.452   2.428
  177   2HG1  VAL  23          2HG1      VAL  23 -10.569   0.330   0.740
  178   3HG1  VAL  23          3HG1      VAL  23 -11.765   0.240   2.045
  179   1HG2  VAL  23          1HG2      VAL  23 -11.709  -3.311   1.280
  180   2HG2  VAL  23          2HG2      VAL  23 -12.689  -1.877   1.546
  181   3HG2  VAL  23          3HG2      VAL  23 -11.738  -2.037   0.043
  182    H    VAL  24           H        VAL  24  -7.695   0.006   0.797
  183    HA   VAL  24           HA       VAL  24  -6.409  -0.057   3.452
  184    HB   VAL  24           HB       VAL  24  -4.813   0.056   0.861
  185   1HG1  VAL  24          1HG1      VAL  24  -3.773   1.317   2.706
  186   2HG1  VAL  24          2HG1      VAL  24  -3.946  -0.085   3.788
  187   3HG1  VAL  24          3HG1      VAL  24  -2.859  -0.153   2.387
  188   1HG2  VAL  24          1HG2      VAL  24  -5.090  -2.235   2.851
  189   2HG2  VAL  24          2HG2      VAL  24  -5.610  -2.247   1.150
  190   3HG2  VAL  24          3HG2      VAL  24  -3.910  -2.163   1.540
  191    H    VAL  25           H        VAL  25  -6.123   1.999   4.205
  192    HA   VAL  25           HA       VAL  25  -6.690   4.254   2.339
  193    HB   VAL  25           HB       VAL  25  -7.444   4.280   5.271
  194   1HG1  VAL  25          1HG1      VAL  25  -8.977   6.002   4.551
  195   2HG1  VAL  25          2HG1      VAL  25  -7.408   6.362   3.819
  196   3HG1  VAL  25          3HG1      VAL  25  -8.679   5.626   2.836
  197   1HG2  VAL  25          1HG2      VAL  25  -8.655   2.314   4.514
  198   2HG2  VAL  25          2HG2      VAL  25  -9.767   3.670   4.664
  199   3HG2  VAL  25          3HG2      VAL  25  -9.205   3.160   3.055
  200    H    PHE  26           H        PHE  26  -4.700   5.132   1.982
  201    HA   PHE  26           HA       PHE  26  -2.734   5.388   4.169
  202   1HB   PHE  26          2HB       PHE  26  -2.813   6.493   1.339
  203   2HB   PHE  26          3HB       PHE  26  -1.492   6.723   2.471
  204    HD1  PHE  26           1HD      PHE  26  -3.114   4.374   0.160
  205    HD2  PHE  26           2HD      PHE  26  -0.091   4.756   3.211
  206    HE1  PHE  26           1HE      PHE  26  -2.167   2.179  -0.498
  207    HE2  PHE  26           2HE      PHE  26   0.831   2.531   2.568
  208    HZ   PHE  26           HZ       PHE  26  -0.201   1.256   0.708
  209    H    SER  27           H        SER  27  -2.729   7.150   5.548
  210    HA   SER  27           HA       SER  27  -4.506   9.466   5.068
  211   1HB   SER  27          2HB       SER  27  -4.951   7.185   7.046
  212   2HB   SER  27          3HB       SER  27  -5.667   8.781   7.295
  213    HG   SER  27           HG       SER  27  -5.960   7.673   4.771
  214    H    LYS  28           H        LYS  28  -4.643  10.629   7.376
  215    HA   LYS  28           HA       LYS  28  -2.059  10.492   8.821
  216   1HB   LYS  28          2HB       LYS  28  -3.531  12.960   7.824
  217   2HB   LYS  28          3HB       LYS  28  -2.415  13.049   9.181
  218   1HG   LYS  28          2HG       LYS  28  -1.584  11.973   6.456
  219   2HG   LYS  28          3HG       LYS  28  -1.490  13.684   6.893
  220   1HD   LYS  28          2HD       LYS  28   0.055  13.165   8.744
  221   2HD   LYS  28          3HD       LYS  28  -0.110  11.439   8.400
  222   1HE   LYS  28          2HE       LYS  28   1.956  12.080   7.451
  223   2HE   LYS  28          3HE       LYS  28   0.834  11.827   6.112
  224   1HZ   LYS  28          1HZ       LYS  28   2.081  13.781   5.733
  225   2HZ   LYS  28          2HZ       LYS  28   0.555  14.281   6.047
  226   3HZ   LYS  28          3HZ       LYS  28   1.718  14.440   7.194
  227    H    THR  29           H        THR  29  -2.387  11.438  11.085
  228    HA   THR  29           HA       THR  29  -4.357   9.785  12.255
  229    HB   THR  29           HB       THR  29  -3.353  11.045  14.352
  230    HG1  THR  29           1HG      THR  29  -1.444  12.114  13.875
  231   1HG2  THR  29          1HG2      THR  29  -1.286   9.710  14.202
  232   2HG2  THR  29          2HG2      THR  29  -2.687   8.770  13.667
  233   3HG2  THR  29          3HG2      THR  29  -1.564   9.444  12.469
  234    H    TYR  30           H        TYR  30  -4.572  13.196  11.388
  235    HA   TYR  30           HA       TYR  30  -6.910  13.480  13.232
  236   1HB   TYR  30          2HB       TYR  30  -6.162  15.767  13.605
  237   2HB   TYR  30          3HB       TYR  30  -4.925  14.609  14.062
  238    HD1  TYR  30           1HD      TYR  30  -2.787  14.479  12.849
  239    HD2  TYR  30           2HD      TYR  30  -5.908  17.161  11.542
  240    HE1  TYR  30           1HE      TYR  30  -1.210  15.534  11.257
  241    HE2  TYR  30           2HE      TYR  30  -4.370  18.174   9.911
  242    HH   TYR  30           HH       TYR  30  -2.180  18.229   9.082
  243    H    CYS  31           H        CYS  31  -5.851  13.981   9.880
  244    HA   CYS  31           HA       CYS  31  -7.487  16.112   9.219
  245   1HB   CYS  31          2HB       CYS  31  -6.655  13.756   7.490
  246   2HB   CYS  31          3HB       CYS  31  -7.263  15.315   6.898
  247    H    GLY  32           H        GLY  32  -9.577  16.428   8.989
  248   1HA   GLY  32          1HA       GLY  32 -11.531  14.581   9.781
  249   2HA   GLY  32          2HA       GLY  32 -11.832  16.093   8.899
  250    H    TYR  33           H        TYR  33 -10.285  15.269   6.473
  251    HA   TYR  33           HA       TYR  33 -12.319  13.774   5.110
  252   1HB   TYR  33          2HB       TYR  33  -9.441  14.397   4.334
  253   2HB   TYR  33          3HB       TYR  33 -10.643  13.695   3.265
  254    HD1  TYR  33           1HD      TYR  33  -9.149  16.743   4.244
  255    HD2  TYR  33           2HD      TYR  33 -12.958  15.057   3.098
  256    HE1  TYR  33           1HE      TYR  33  -9.948  18.993   3.594
  257    HE2  TYR  33           2HE      TYR  33 -13.757  17.297   2.436
  258    HH   TYR  33           HH       TYR  33 -13.242  19.566   2.267
  259    H    CYS  34           H        CYS  34  -9.214  12.792   6.629
  260    HA   CYS  34           HA       CYS  34  -9.278  10.076   5.587
  261   1HB   CYS  34          2HB       CYS  34  -7.902  11.231   8.064
  262   2HB   CYS  34          3HB       CYS  34  -7.654   9.619   7.383
  263    HG   CYS  34           HG       CYS  34  -7.222  12.523   5.812
  264    H    ASN  35           H        ASN  35 -10.322  11.694   8.611
  265    HA   ASN  35           HA       ASN  35 -11.489   9.443   9.869
  266   1HB   ASN  35          2HB       ASN  35 -11.077  11.674  10.923
  267   2HB   ASN  35          3HB       ASN  35 -12.401  12.352   9.980
  268   1HD2  ASN  35          2HD2      ASN  35 -11.614  10.828  12.925
  269   2HD2  ASN  35          1HD2      ASN  35 -13.240  10.455  13.434
  270    H    ARG  36           H        ARG  36 -12.962  11.749   7.527
  271    HA   ARG  36           HA       ARG  36 -15.539  10.642   7.495
  272   1HB   ARG  36          2HB       ARG  36 -14.803  12.819   6.477
  273   2HB   ARG  36          3HB       ARG  36 -14.066  11.920   5.146
  274   1HG   ARG  36          2HG       ARG  36 -16.325  10.955   4.603
  275   2HG   ARG  36          3HG       ARG  36 -17.028  11.954   5.883
  276   1HD   ARG  36          2HD       ARG  36 -15.547  12.958   3.410
  277   2HD   ARG  36          3HD       ARG  36 -17.305  12.958   3.643
  278    HE   ARG  36           HE       ARG  36 -16.209  14.366   5.808
  279   1HH1  ARG  36          1HH2      ARG  36 -16.487  14.771   2.291
  280   2HH1  ARG  36          2HH2      ARG  36 -16.475  16.493   2.346
  281   1HH2  ARG  36          1HH1      ARG  36 -16.145  16.662   5.879
  282   2HH2  ARG  36          2HH1      ARG  36 -16.258  17.588   4.434
  283    H    VAL  37           H        VAL  37 -12.698   9.745   5.387
  284    HA   VAL  37           HA       VAL  37 -14.179   7.737   3.987
  285    HB   VAL  37           HB       VAL  37 -11.189   8.041   4.490
  286   1HG1  VAL  37          1HG1      VAL  37 -12.648   6.114   2.620
  287   2HG1  VAL  37          2HG1      VAL  37 -10.913   6.488   2.544
  288   3HG1  VAL  37          3HG1      VAL  37 -11.571   5.684   3.964
  289   1HG2  VAL  37          1HG2      VAL  37 -13.051   8.700   2.163
  290   2HG2  VAL  37          2HG2      VAL  37 -12.171   9.851   3.169
  291   3HG2  VAL  37          3HG2      VAL  37 -11.279   8.780   2.074
  292    H    LYS  38           H        LYS  38 -12.148   7.478   6.957
  293    HA   LYS  38           HA       LYS  38 -12.519   4.700   7.354
  294   1HB   LYS  38          2HB       LYS  38 -12.171   6.966   9.360
  295   2HB   LYS  38          3HB       LYS  38 -12.136   5.256   9.799
  296   1HG   LYS  38          2HG       LYS  38 -10.167   4.837   8.485
  297   2HG   LYS  38          3HG       LYS  38 -10.287   6.379   7.651
  298   1HD   LYS  38          2HD       LYS  38  -8.493   6.542   9.211
  299   2HD   LYS  38          3HD       LYS  38  -9.802   7.590   9.756
  300   1HE   LYS  38          2HE       LYS  38 -10.504   5.804  11.382
  301   2HE   LYS  38          3HE       LYS  38  -9.140   4.813  10.851
  302   1HZ   LYS  38          1HZ       LYS  38  -8.905   7.473  12.142
  303   2HZ   LYS  38          2HZ       LYS  38  -8.634   6.044  12.866
  304   3HZ   LYS  38          3HZ       LYS  38  -7.627   6.550  11.689
  305    H    GLN  39           H        GLN  39 -14.670   7.414   8.463
  306    HA   GLN  39           HA       GLN  39 -16.631   5.657   9.594
  307   1HB   GLN  39          2HB       GLN  39 -16.851   8.500   8.515
  308   2HB   GLN  39          3HB       GLN  39 -18.197   7.610   9.227
  309   1HG   GLN  39          2HG       GLN  39 -16.770   7.286  11.317
  310   2HG   GLN  39          3HG       GLN  39 -15.627   8.437  10.623
  311   1HE2  GLN  39          2HE2      GLN  39 -15.995  10.586  11.234
  312   2HE2  GLN  39          1HE2      GLN  39 -17.549  11.222  11.740
  313    H    LEU  40           H        LEU  40 -16.254   6.909   6.234
  314    HA   LEU  40           HA       LEU  40 -18.762   6.067   5.246
  315   1HB   LEU  40          2HB       LEU  40 -16.958   7.541   4.134
  316   2HB   LEU  40          3HB       LEU  40 -16.138   6.047   3.704
  317    HG   LEU  40           HG       LEU  40 -18.293   5.369   2.446
  318   1HD1  LEU  40          1HD1      LEU  40 -19.929   6.846   3.447
  319   2HD1  LEU  40          2HD1      LEU  40 -18.958   8.281   3.057
  320   3HD1  LEU  40          3HD1      LEU  40 -19.715   7.337   1.763
  321   1HD2  LEU  40          1HD2      LEU  40 -16.288   6.137   1.318
  322   2HD2  LEU  40          2HD2      LEU  40 -17.729   6.783   0.528
  323   3HD2  LEU  40          3HD2      LEU  40 -16.746   7.831   1.581
  324    H    LEU  41           H        LEU  41 -15.616   4.365   5.347
  325    HA   LEU  41           HA       LEU  41 -16.570   1.902   4.214
  326   1HB   LEU  41          2HB       LEU  41 -14.154   2.590   5.930
  327   2HB   LEU  41          3HB       LEU  41 -14.412   1.012   5.191
  328    HG   LEU  41           HG       LEU  41 -14.213   3.592   3.580
  329   1HD1  LEU  41          1HD1      LEU  41 -12.122   3.158   4.781
  330   2HD1  LEU  41          2HD1      LEU  41 -12.080   1.499   4.155
  331   3HD1  LEU  41          3HD1      LEU  41 -11.923   2.881   3.043
  332   1HD2  LEU  41          1HD2      LEU  41 -13.783   2.035   1.683
  333   2HD2  LEU  41          2HD2      LEU  41 -14.123   0.656   2.750
  334   3HD2  LEU  41          3HD2      LEU  41 -15.398   1.829   2.357
  335    H    THR  42           H        THR  42 -16.247   3.061   7.600
  336    HA   THR  42           HA       THR  42 -16.959   0.637   8.881
  337    HB   THR  42           HB       THR  42 -17.524   3.521   9.710
  338    HG1  THR  42           1HG      THR  42 -15.338   3.154   9.424
  339   1HG2  THR  42          1HG2      THR  42 -18.850   2.020  11.111
  340   2HG2  THR  42          2HG2      THR  42 -17.437   0.977  11.390
  341   3HG2  THR  42          3HG2      THR  42 -17.477   2.635  12.036
  342    H    GLN  43           H        GLN  43 -19.044   3.243   7.514
  343    HA   GLN  43           HA       GLN  43 -21.465   2.219   8.598
  344   1HB   GLN  43          2HB       GLN  43 -20.841   4.060   6.271
  345   2HB   GLN  43          3HB       GLN  43 -22.503   3.609   6.662
  346   1HG   GLN  43          2HG       GLN  43 -22.409   4.581   8.835
  347   2HG   GLN  43          3HG       GLN  43 -20.656   4.744   8.794
  348   1HE2  GLN  43          2HE2      GLN  43 -19.693   6.319   7.389
  349   2HE2  GLN  43          1HE2      GLN  43 -20.595   7.743   6.873
  350    H    VAL  44           H        VAL  44 -19.810   1.411   5.515
  351    HA   VAL  44           HA       VAL  44 -22.003  -0.420   4.802
  352    HB   VAL  44           HB       VAL  44 -20.589  -0.953   2.828
  353   1HG1  VAL  44          1HG1      VAL  44 -21.115   2.020   3.229
  354   2HG1  VAL  44          2HG1      VAL  44 -20.982   1.151   1.683
  355   3HG1  VAL  44          3HG1      VAL  44 -22.330   0.802   2.773
  356   1HG2  VAL  44          1HG2      VAL  44 -18.684   0.482   2.268
  357   2HG2  VAL  44          2HG2      VAL  44 -18.764   1.267   3.841
  358   3HG2  VAL  44          3HG2      VAL  44 -18.346  -0.455   3.735
  359    H    GLY  45           H        GLY  45 -19.578  -0.614   7.069
  360   1HA   GLY  45          1HA       GLY  45 -18.732  -2.328   8.272
  361   2HA   GLY  45          2HA       GLY  45 -19.897  -3.405   7.480
  362    H    ALA  46           H        ALA  46 -17.376  -1.508   5.760
  363    HA   ALA  46           HA       ALA  46 -16.465  -3.879   4.370
  364   1HB   ALA  46          1HB       ALA  46 -14.787  -2.304   3.396
  365   2HB   ALA  46          2HB       ALA  46 -16.448  -1.709   3.234
  366   3HB   ALA  46          3HB       ALA  46 -15.375  -1.032   4.482
  367    H    SER  47           H        SER  47 -14.564  -4.905   4.540
  368    HA   SER  47           HA       SER  47 -13.021  -4.777   7.056
  369   1HB   SER  47          2HB       SER  47 -12.546  -6.431   4.529
  370   2HB   SER  47          3HB       SER  47 -11.865  -6.708   6.142
  371    HG   SER  47           HG       SER  47 -14.570  -6.951   5.287
  372    H    TYR  48           H        TYR  48 -11.288  -3.289   7.184
  373    HA   TYR  48           HA       TYR  48  -9.788  -2.675   4.747
  374   1HB   TYR  48          2HB       TYR  48 -10.091  -0.303   4.846
  375   2HB   TYR  48          3HB       TYR  48 -11.664  -1.055   4.706
  376    HD1  TYR  48           1HD      TYR  48 -13.347  -0.815   6.445
  377    HD2  TYR  48           2HD      TYR  48  -9.412   0.872   6.918
  378    HE1  TYR  48           1HE      TYR  48 -14.185   0.578   8.322
  379    HE2  TYR  48           2HE      TYR  48 -10.227   2.222   8.831
  380    HH   TYR  48           HH       TYR  48 -11.994   2.731  10.210
  381    H    LYS  49           H        LYS  49  -7.904  -1.378   5.134
  382    HA   LYS  49           HA       LYS  49  -6.789  -1.458   7.910
  383   1HB   LYS  49          2HB       LYS  49  -5.784  -3.195   6.469
  384   2HB   LYS  49          3HB       LYS  49  -5.492  -2.008   5.192
  385   1HG   LYS  49          2HG       LYS  49  -3.839  -0.852   6.618
  386   2HG   LYS  49          3HG       LYS  49  -4.159  -2.011   7.929
  387   1HD   LYS  49          2HD       LYS  49  -3.349  -3.857   6.452
  388   2HD   LYS  49          3HD       LYS  49  -3.118  -2.695   5.139
  389   1HE   LYS  49          2HE       LYS  49  -0.966  -3.117   6.106
  390   2HE   LYS  49          3HE       LYS  49  -1.440  -1.467   6.511
  391   1HZ   LYS  49          1HZ       LYS  49  -0.492  -2.651   8.410
  392   2HZ   LYS  49          2HZ       LYS  49  -2.034  -2.253   8.737
  393   3HZ   LYS  49          3HZ       LYS  49  -1.645  -3.795   8.348
  394    H    VAL  50           H        VAL  50  -5.298   0.318   8.320
  395    HA   VAL  50           HA       VAL  50  -5.565   2.621   6.473
  396    HB   VAL  50           HB       VAL  50  -5.792   2.752   9.499
  397   1HG1  VAL  50          1HG1      VAL  50  -6.445   5.104   9.138
  398   2HG1  VAL  50          2HG1      VAL  50  -4.868   4.828   8.407
  399   3HG1  VAL  50          3HG1      VAL  50  -6.307   4.905   7.379
  400   1HG2  VAL  50          1HG2      VAL  50  -7.852   1.766   8.703
  401   2HG2  VAL  50          2HG2      VAL  50  -8.158   3.445   9.129
  402   3HG2  VAL  50          3HG2      VAL  50  -7.999   2.991   7.416
  403    H    VAL  51           H        VAL  51  -3.715   3.923   6.463
  404    HA   VAL  51           HA       VAL  51  -1.336   2.991   8.000
  405    HB   VAL  51           HB       VAL  51  -1.416   3.899   5.092
  406   1HG1  VAL  51          1HG1      VAL  51   0.913   2.865   6.764
  407   2HG1  VAL  51          2HG1      VAL  51   0.973   3.414   5.070
  408   3HG1  VAL  51          3HG1      VAL  51   0.637   4.572   6.354
  409   1HG2  VAL  51          1HG2      VAL  51  -2.274   1.609   5.237
  410   2HG2  VAL  51          2HG2      VAL  51  -0.659   1.612   4.541
  411   3HG2  VAL  51          3HG2      VAL  51  -0.885   1.128   6.239
  412    H    GLU  52           H        GLU  52  -1.495   4.572   9.547
  413    HA   GLU  52           HA       GLU  52  -2.251   7.310   8.776
  414   1HB   GLU  52          2HB       GLU  52  -1.781   6.081  11.518
  415   2HB   GLU  52          3HB       GLU  52  -2.329   7.739  11.175
  416   1HG   GLU  52          2HG       GLU  52  -4.253   6.752   9.860
  417   2HG   GLU  52          3HG       GLU  52  -3.786   5.160  10.468
  418    H    LEU  53           H        LEU  53  -0.625   7.991   7.595
  419    HA   LEU  53           HA       LEU  53   2.096   7.389   7.833
  420   1HB   LEU  53          2HB       LEU  53   0.622   9.662   6.447
  421   2HB   LEU  53          3HB       LEU  53   2.311   9.277   6.136
  422    HG   LEU  53           HG       LEU  53   0.075   7.250   5.698
  423   1HD1  LEU  53          1HD1      LEU  53   0.281   7.841   3.281
  424   2HD1  LEU  53          2HD1      LEU  53  -0.420   9.134   4.271
  425   3HD1  LEU  53          3HD1      LEU  53   1.270   9.233   3.737
  426   1HD2  LEU  53          1HD2      LEU  53   2.889   7.433   4.574
  427   2HD2  LEU  53          2HD2      LEU  53   2.395   6.331   5.880
  428   3HD2  LEU  53          3HD2      LEU  53   1.709   6.141   4.263
  429    H    ASP  54           H        ASP  54   0.468   9.458   9.959
  430    HA   ASP  54           HA       ASP  54   2.718  11.328  10.363
  431   1HB   ASP  54          2HB       ASP  54   0.374  12.050  10.808
  432   2HB   ASP  54          3HB       ASP  54   0.225  10.778  12.017
  433    H    GLU  55           H        GLU  55   1.627   8.168  11.535
  434    HA   GLU  55           HA       GLU  55   3.701   8.256  13.682
  435   1HB   GLU  55          2HB       GLU  55   2.268   6.893  15.055
  436   2HB   GLU  55          3HB       GLU  55   1.483   8.414  14.640
  437   1HG   GLU  55          2HG       GLU  55  -0.008   7.332  13.085
  438   2HG   GLU  55          3HG       GLU  55   0.923   5.834  13.123
  439    H    LEU  56           H        LEU  56   2.777   6.662  10.797
  440    HA   LEU  56           HA       LEU  56   3.876   4.074  11.268
  441   1HB   LEU  56          2HB       LEU  56   2.620   4.730   9.203
  442   2HB   LEU  56          3HB       LEU  56   3.944   5.805   8.760
  443    HG   LEU  56           HG       LEU  56   5.476   3.761   8.689
  444   1HD1  LEU  56          1HD1      LEU  56   4.403   1.546   8.447
  445   2HD1  LEU  56          2HD1      LEU  56   4.133   2.197  10.064
  446   3HD1  LEU  56          3HD1      LEU  56   2.829   2.255   8.860
  447   1HD2  LEU  56          1HD2      LEU  56   4.673   2.993   6.511
  448   2HD2  LEU  56          2HD2      LEU  56   3.119   3.807   6.789
  449   3HD2  LEU  56          3HD2      LEU  56   4.614   4.754   6.654
  450    H    SER  57           H        SER  57   6.018   3.349  11.332
  451    HA   SER  57           HA       SER  57   7.996   4.992  12.277
  452   1HB   SER  57          2HB       SER  57   8.447   2.369  10.816
  453   2HB   SER  57          3HB       SER  57   9.379   3.026  12.171
  454    HG   SER  57           HG       SER  57   7.610   2.682  13.516
  455    H    ASP  58           H        ASP  58   7.207   4.587   8.902
  456    HA   ASP  58           HA       ASP  58   9.613   6.161   8.121
  457   1HB   ASP  58          2HB       ASP  58   9.800   3.706   7.561
  458   2HB   ASP  58          3HB       ASP  58   8.363   3.874   6.550
  459    H    GLY  59           H        GLY  59   6.782   6.812   8.831
  460   1HA   GLY  59          1HA       GLY  59   4.863   7.012   6.979
  461   2HA   GLY  59          2HA       GLY  59   5.170   8.241   8.207
  462    H    SER  60           H        SER  60   7.178   9.798   7.409
  463    HA   SER  60           HA       SER  60   6.133  11.287   5.320
  464   1HB   SER  60          2HB       SER  60   9.053  11.290   6.153
  465   2HB   SER  60          3HB       SER  60   8.095  12.644   5.523
  466    HG   SER  60           HG       SER  60   8.333  12.719   7.812
  467    H    GLN  61           H        GLN  61   8.694   8.770   5.094
  468    HA   GLN  61           HA       GLN  61   9.265   9.452   2.300
  469   1HB   GLN  61          2HB       GLN  61  10.059   6.982   3.877
  470   2HB   GLN  61          3HB       GLN  61  10.667   7.469   2.291
  471   1HG   GLN  61          2HG       GLN  61  11.431   9.659   3.447
  472   2HG   GLN  61          3HG       GLN  61  11.159   8.809   4.973
  473   1HE2  GLN  61          2HE2      GLN  61  12.240   6.440   4.955
  474   2HE2  GLN  61          1HE2      GLN  61  13.879   6.380   4.283
  475    H    LEU  62           H        LEU  62   7.256   7.108   4.095
  476    HA   LEU  62           HA       LEU  62   6.369   5.617   1.840
  477   1HB   LEU  62          2HB       LEU  62   6.147   5.291   4.474
  478   2HB   LEU  62          3HB       LEU  62   4.657   6.166   4.272
  479    HG   LEU  62           HG       LEU  62   4.210   3.823   4.313
  480   1HD1  LEU  62          1HD1      LEU  62   3.052   3.374   2.250
  481   2HD1  LEU  62          2HD1      LEU  62   2.865   5.090   2.640
  482   3HD1  LEU  62          3HD1      LEU  62   4.014   4.584   1.388
  483   1HD2  LEU  62          1HD2      LEU  62   6.485   3.060   3.704
  484   2HD2  LEU  62          2HD2      LEU  62   5.214   2.188   2.827
  485   3HD2  LEU  62          3HD2      LEU  62   6.154   3.449   2.009
  486    H    GLN  63           H        GLN  63   5.059   8.604   3.398
  487    HA   GLN  63           HA       GLN  63   2.910   8.990   1.592
  488   1HB   GLN  63          2HB       GLN  63   3.338  10.247   3.776
  489   2HB   GLN  63          3HB       GLN  63   4.567  11.187   2.921
  490   1HG   GLN  63          2HG       GLN  63   2.797  11.842   1.232
  491   2HG   GLN  63          3HG       GLN  63   1.597  11.004   2.204
  492   1HE2  GLN  63          2HE2      GLN  63   1.173  13.562   1.567
  493   2HE2  GLN  63          1HE2      GLN  63   1.457  14.660   2.910
  494    H    SER  64           H        SER  64   6.354  10.033   1.419
  495    HA   SER  64           HA       SER  64   6.128  11.482  -1.017
  496   1HB   SER  64          2HB       SER  64   8.542   9.956   0.049
  497   2HB   SER  64          3HB       SER  64   8.553  11.253  -1.152
  498    HG   SER  64           HG       SER  64   7.769  11.446   1.594
  499    H    ALA  65           H        ALA  65   6.712   7.975  -0.416
  500    HA   ALA  65           HA       ALA  65   7.041   7.259  -3.156
  501   1HB   ALA  65          1HB       ALA  65   6.518   4.998  -2.431
  502   2HB   ALA  65          2HB       ALA  65   7.642   5.764  -1.295
  503   3HB   ALA  65          3HB       ALA  65   5.921   5.583  -0.870
  504    H    LEU  66           H        LEU  66   4.068   7.424  -1.083
  505    HA   LEU  66           HA       LEU  66   2.265   6.618  -3.122
  506   1HB   LEU  66          2HB       LEU  66   2.009   8.134  -0.549
  507   2HB   LEU  66          3HB       LEU  66   0.750   8.436  -1.725
  508    HG   LEU  66           HG       LEU  66   0.091   6.724  -0.149
  509   1HD1  LEU  66          1HD1      LEU  66  -0.827   6.625  -2.447
  510   2HD1  LEU  66          2HD1      LEU  66   0.447   5.484  -2.912
  511   3HD1  LEU  66          3HD1      LEU  66  -0.728   5.035  -1.672
  512   1HD2  LEU  66          1HD2      LEU  66   2.370   5.039  -1.255
  513   2HD2  LEU  66          2HD2      LEU  66   2.277   5.774   0.357
  514   3HD2  LEU  66          3HD2      LEU  66   1.126   4.512  -0.100
  515    H    ALA  67           H        ALA  67   3.407   9.949  -2.295
  516    HA   ALA  67           HA       ALA  67   1.969  11.266  -4.287
  517   1HB   ALA  67          1HB       ALA  67   3.591  13.065  -4.053
  518   2HB   ALA  67          2HB       ALA  67   3.396  12.324  -2.449
  519   3HB   ALA  67          3HB       ALA  67   4.821  11.957  -3.425
  520    H    HIS  68           H        HIS  68   5.249   9.882  -4.573
  521    HA   HIS  68           HA       HIS  68   5.683  10.474  -7.304
  522   1HB   HIS  68          2HB       HIS  68   7.578   9.857  -6.137
  523   2HB   HIS  68          3HB       HIS  68   6.760   8.602  -5.221
  524    HD1  HIS  68           1HD      HIS  68   8.587   8.993  -8.574
  525    HD2  HIS  68           2HD      HIS  68   6.584   6.177  -6.163
  526    HE1  HIS  68           1HE      HIS  68   9.113   6.706  -9.566
  527    H    TRP  69           H        TRP  69   4.115   7.647  -5.769
  528    HA   TRP  69           HA       TRP  69   3.985   6.106  -8.175
  529   1HB   TRP  69          2HB       TRP  69   4.230   5.234  -5.904
  530   2HB   TRP  69          3HB       TRP  69   2.663   5.871  -5.447
  531    HD1  TRP  69           HD1      TRP  69   2.858   3.945  -8.739
  532    HE1  TRP  69           HE1      TRP  69   1.684   1.726  -8.492
  533    HE3  TRP  69           HE3      TRP  69   2.204   3.968  -3.659
  534    HZ2  TRP  69           HZ2      TRP  69   0.533   0.119  -6.342
  535    HZ3  TRP  69           HZ3      TRP  69   1.067   2.065  -2.537
  536    HH2  TRP  69           HH2      TRP  69   0.226   0.149  -3.870
  537    H    THR  70           H        THR  70   1.579   8.128  -6.439
  538    HA   THR  70           HA       THR  70  -0.486   7.275  -8.420
  539    HB   THR  70           HB       THR  70  -2.096   7.730  -6.676
  540    HG1  THR  70           1HG      THR  70   0.118   8.424  -5.021
  541   1HG2  THR  70          1HG2      THR  70  -1.043   5.481  -6.635
  542   2HG2  THR  70          2HG2      THR  70   0.186   6.076  -5.499
  543   3HG2  THR  70          3HG2      THR  70  -1.514   6.037  -5.017
  544    H    GLY  71           H        GLY  71   1.374  10.065  -7.558
  545   1HA   GLY  71          1HA       GLY  71   1.213  12.243  -8.225
  546   2HA   GLY  71          2HA       GLY  71  -0.197  11.851  -9.225
  547    H    ARG  72           H        ARG  72  -0.498  10.753  -5.941
  548    HA   ARG  72           HA       ARG  72  -1.922  13.210  -5.068
  549   1HB   ARG  72          2HB       ARG  72  -3.590  11.648  -5.984
  550   2HB   ARG  72          3HB       ARG  72  -3.010  10.370  -4.914
  551   1HG   ARG  72          2HG       ARG  72  -3.597  11.827  -2.937
  552   2HG   ARG  72          3HG       ARG  72  -4.200  13.048  -4.064
  553   1HD   ARG  72          2HD       ARG  72  -5.987  11.551  -4.795
  554   2HD   ARG  72          3HD       ARG  72  -5.288  10.214  -3.872
  555    HE   ARG  72           HE       ARG  72  -6.177  11.023  -1.923
  556   1HH1  ARG  72          1HH2      ARG  72  -6.476  13.634  -4.326
  557   2HH1  ARG  72          2HH2      ARG  72  -7.354  14.672  -3.266
  558   1HH2  ARG  72          1HH1      ARG  72  -7.281  12.336  -0.569
  559   2HH2  ARG  72          2HH1      ARG  72  -7.820  13.929  -1.036
  560    H    GLY  73           H        GLY  73   0.099  13.593  -4.016
  561   1HA   GLY  73          1HA       GLY  73   1.026  11.873  -1.856
  562   2HA   GLY  73          2HA       GLY  73   1.492  13.556  -2.190
  563    H    THR  74           H        THR  74  -1.563  14.227  -2.243
  564    HA   THR  74           HA       THR  74  -1.925  14.959   0.502
  565    HB   THR  74           HB       THR  74  -4.306  15.412  -0.541
  566    HG1  THR  74           1HG      THR  74  -4.282  15.494  -2.779
  567   1HG2  THR  74          1HG2      THR  74  -3.477  17.473  -1.615
  568   2HG2  THR  74          2HG2      THR  74  -2.621  17.173  -0.095
  569   3HG2  THR  74          3HG2      THR  74  -1.824  16.817  -1.643
  570    H    VAL  75           H        VAL  75  -4.054  14.303   1.621
  571    HA   VAL  75           HA       VAL  75  -4.473  11.381   1.411
  572    HB   VAL  75           HB       VAL  75  -4.459  11.373   3.939
  573   1HG1  VAL  75          1HG1      VAL  75  -1.797  11.975   2.594
  574   2HG1  VAL  75          2HG1      VAL  75  -2.044  11.103   4.120
  575   3HG1  VAL  75          3HG1      VAL  75  -2.630  10.406   2.602
  576   1HG2  VAL  75          1HG2      VAL  75  -2.889  13.971   3.712
  577   2HG2  VAL  75          2HG2      VAL  75  -4.571  13.855   4.286
  578   3HG2  VAL  75          3HG2      VAL  75  -3.283  13.052   5.174
  579    HA   PRO  76           HA       PRO  76  -5.785   9.942   2.874
  580   1HB   PRO  76          2HB       PRO  76  -8.069   8.539   2.365
  581   2HB   PRO  76          3HB       PRO  76  -7.772   9.384   3.911
  582   1HG   PRO  76          2HG       PRO  76  -9.371  10.353   1.531
  583   2HG   PRO  76          3HG       PRO  76  -9.819  10.393   3.268
  584   1HD   PRO  76          2HD       PRO  76  -8.772  12.565   1.958
  585   2HD   PRO  76          3HD       PRO  76  -8.433  12.237   3.681
  586    H    ASN  77           H        ASN  77  -5.526   8.096   1.408
  587    HA   ASN  77           HA       ASN  77  -6.147   8.546  -1.469
  588   1HB   ASN  77          2HB       ASN  77  -3.810   9.321  -0.979
  589   2HB   ASN  77          3HB       ASN  77  -3.419   7.713  -0.380
  590   1HD2  ASN  77          2HD2      ASN  77  -2.243   9.250  -2.674
  591   2HD2  ASN  77          1HD2      ASN  77  -2.399   8.189  -4.026
  592    H    VAL  78           H        VAL  78  -7.499   6.883  -1.845
  593    HA   VAL  78           HA       VAL  78  -7.444   4.598   0.032
  594    HB   VAL  78           HB       VAL  78  -9.746   5.301  -1.805
  595   1HG1  VAL  78          1HG1      VAL  78  -9.565   4.048   0.974
  596   2HG1  VAL  78          2HG1      VAL  78 -11.061   4.306   0.066
  597   3HG1  VAL  78          3HG1      VAL  78  -9.853   3.172  -0.544
  598   1HG2  VAL  78          1HG2      VAL  78  -9.384   7.439  -0.718
  599   2HG2  VAL  78          2HG2      VAL  78 -10.749   6.654   0.062
  600   3HG2  VAL  78          3HG2      VAL  78  -9.164   6.660   0.862
  601    H    PHE  79           H        PHE  79  -7.403   2.514  -0.628
  602    HA   PHE  79           HA       PHE  79  -7.191   1.864  -3.519
  603   1HB   PHE  79          2HB       PHE  79  -5.531   0.912  -1.147
  604   2HB   PHE  79          3HB       PHE  79  -5.681  -0.030  -2.613
  605    HD1  PHE  79           1HD      PHE  79  -4.764   3.529  -1.639
  606    HD2  PHE  79           2HD      PHE  79  -3.944   0.096  -4.127
  607    HE1  PHE  79           1HE      PHE  79  -2.832   4.700  -2.629
  608    HE2  PHE  79           2HE      PHE  79  -1.984   1.266  -5.079
  609    HZ   PHE  79           HZ       PHE  79  -1.407   3.562  -4.323
  610    H    ILE  80           H        ILE  80  -8.289  -0.029  -4.076
  611    HA   ILE  80           HA       ILE  80  -9.504  -1.697  -1.979
  612    HB   ILE  80           HB       ILE  80 -11.126  -0.423  -4.232
  613   1HG1  ILE  80          2HG1      ILE  80 -11.478  -0.172  -1.218
  614   2HG1  ILE  80          3HG1      ILE  80 -10.785   1.075  -2.247
  615   1HG2  ILE  80          1HG2      ILE  80 -11.831  -2.613  -2.240
  616   2HG2  ILE  80          2HG2      ILE  80 -13.036  -1.750  -3.205
  617   3HG2  ILE  80          3HG2      ILE  80 -11.812  -2.702  -4.018
  618   1HD1  ILE  80          1HD1      ILE  80 -13.020   1.686  -1.770
  619   2HD1  ILE  80          2HD1      ILE  80 -12.942   1.243  -3.485
  620   3HD1  ILE  80          3HD1      ILE  80 -13.666   0.132  -2.300
  621    H    GLY  81           H        GLY  81  -9.519  -3.845  -2.671
  622   1HA   GLY  81          1HA       GLY  81  -8.880  -5.672  -3.882
  623   2HA   GLY  81          2HA       GLY  81  -9.381  -4.788  -5.334
  624    H    GLY  82           H        GLY  82  -6.800  -3.616  -3.178
  625   1HA   GLY  82          1HA       GLY  82  -4.560  -3.340  -3.468
  626   2HA   GLY  82          2HA       GLY  82  -4.570  -4.675  -4.626
  627    H    LYS  83           H        LYS  83  -6.687  -1.906  -5.302
  628    HA   LYS  83           HA       LYS  83  -4.711  -0.820  -7.258
  629   1HB   LYS  83          2HB       LYS  83  -6.436  -2.318  -8.301
  630   2HB   LYS  83          3HB       LYS  83  -7.706  -1.273  -7.647
  631   1HG   LYS  83          2HG       LYS  83  -6.825   0.626  -8.989
  632   2HG   LYS  83          3HG       LYS  83  -5.533  -0.419  -9.613
  633   1HD   LYS  83          2HD       LYS  83  -7.250  -1.896 -10.657
  634   2HD   LYS  83          3HD       LYS  83  -8.527  -0.888  -9.970
  635   1HE   LYS  83          2HE       LYS  83  -8.300  -0.260 -12.260
  636   2HE   LYS  83          3HE       LYS  83  -7.682   1.067 -11.275
  637   1HZ   LYS  83          1HZ       LYS  83  -6.013  -0.955 -12.668
  638   2HZ   LYS  83          2HZ       LYS  83  -6.248   0.577 -13.162
  639   3HZ   LYS  83          3HZ       LYS  83  -5.430   0.294 -11.783
  640    H    GLN  84           H        GLN  84  -4.635   1.410  -7.320
  641    HA   GLN  84           HA       GLN  84  -5.721   2.930  -5.141
  642   1HB   GLN  84          2HB       GLN  84  -3.582   3.400  -6.320
  643   2HB   GLN  84          3HB       GLN  84  -4.457   3.804  -7.784
  644   1HG   GLN  84          2HG       GLN  84  -5.253   5.311  -5.303
  645   2HG   GLN  84          3HG       GLN  84  -3.625   5.594  -5.887
  646   1HE2  GLN  84          2HE2      GLN  84  -3.426   6.084  -8.359
  647   2HE2  GLN  84          1HE2      GLN  84  -4.648   7.153  -8.995
  648    H    ILE  85           H        ILE  85  -7.621   4.101  -5.045
  649    HA   ILE  85           HA       ILE  85  -9.446   3.911  -7.406
  650    HB   ILE  85           HB       ILE  85 -10.102   4.213  -4.453
  651   1HG1  ILE  85          2HG1      ILE  85  -9.227   2.011  -4.727
  652   2HG1  ILE  85          3HG1      ILE  85 -10.964   1.912  -4.574
  653   1HG2  ILE  85          1HG2      ILE  85 -12.430   3.676  -5.156
  654   2HG2  ILE  85          2HG2      ILE  85 -11.854   5.207  -5.816
  655   3HG2  ILE  85          3HG2      ILE  85 -11.921   3.774  -6.858
  656   1HD1  ILE  85          1HD1      ILE  85  -9.363   1.568  -7.144
  657   2HD1  ILE  85          2HD1      ILE  85 -10.218   0.317  -6.237
  658   3HD1  ILE  85          3HD1      ILE  85 -11.138   1.583  -7.069
  659    H    GLY  86           H        GLY  86  -8.470   6.143  -4.685
  660   1HA   GLY  86          1HA       GLY  86  -8.173   8.456  -6.109
  661   2HA   GLY  86          2HA       GLY  86  -9.923   8.337  -5.903
  662    H    GLY  87           H        GLY  87 -10.041  10.113  -4.567
  663   1HA   GLY  87          1HA       GLY  87  -8.681  10.005  -1.898
  664   2HA   GLY  87          2HA       GLY  87  -9.226  11.468  -2.733
  665    H    CYS  88           H        CYS  88 -10.234  11.702  -0.531
  666    HA   CYS  88           HA       CYS  88 -12.408  10.204   0.424
  667   1HB   CYS  88          2HB       CYS  88 -13.068  12.496   1.430
  668   2HB   CYS  88          3HB       CYS  88 -11.498  11.828   1.881
  669    HG   CYS  88           HG       CYS  88 -11.373  14.475   1.539
  670    H    ASP  89           H        ASP  89 -12.422  13.019  -1.792
  671    HA   ASP  89           HA       ASP  89 -15.197  13.174  -2.170
  672   1HB   ASP  89          2HB       ASP  89 -13.663  14.925  -2.900
  673   2HB   ASP  89          3HB       ASP  89 -12.933  13.840  -4.087
  674    H    THR  90           H        THR  90 -12.787  11.168  -3.939
  675    HA   THR  90           HA       THR  90 -14.545  10.209  -5.920
  676    HB   THR  90           HB       THR  90 -12.274   8.609  -4.689
  677    HG1  THR  90           1HG      THR  90 -12.037  10.823  -6.449
  678   1HG2  THR  90          1HG2      THR  90 -11.900   7.951  -7.059
  679   2HG2  THR  90          2HG2      THR  90 -13.507   7.503  -6.468
  680   3HG2  THR  90          3HG2      THR  90 -13.323   8.912  -7.533
  681    H    VAL  91           H        VAL  91 -13.693   8.805  -2.656
  682    HA   VAL  91           HA       VAL  91 -15.456   6.586  -3.186
  683    HB   VAL  91           HB       VAL  91 -15.086   5.926  -0.852
  684   1HG1  VAL  91          1HG1      VAL  91 -13.595   5.228  -2.723
  685   2HG1  VAL  91          2HG1      VAL  91 -12.533   6.612  -2.383
  686   3HG1  VAL  91          3HG1      VAL  91 -12.749   5.327  -1.176
  687   1HG2  VAL  91          1HG2      VAL  91 -13.178   8.288  -0.661
  688   2HG2  VAL  91          2HG2      VAL  91 -14.733   8.177   0.190
  689   3HG2  VAL  91          3HG2      VAL  91 -13.444   7.015   0.539
  690    H    VAL  92           H        VAL  92 -16.050   9.760  -1.477
  691    HA   VAL  92           HA       VAL  92 -18.615   8.744  -0.571
  692    HB   VAL  92           HB       VAL  92 -19.247  11.028  -0.086
  693   1HG1  VAL  92          1HG1      VAL  92 -17.540  11.531   1.605
  694   2HG1  VAL  92          2HG1      VAL  92 -17.929   9.813   1.561
  695   3HG1  VAL  92          3HG1      VAL  92 -16.412  10.396   0.837
  696   1HG2  VAL  92          1HG2      VAL  92 -17.726  12.929  -0.374
  697   2HG2  VAL  92          2HG2      VAL  92 -16.608  11.898  -1.279
  698   3HG2  VAL  92          3HG2      VAL  92 -18.208  12.271  -1.942
  699    H    GLU  93           H        GLU  93 -17.495  10.295  -3.626
  700    HA   GLU  93           HA       GLU  93 -20.118  10.698  -4.710
  701   1HB   GLU  93          2HB       GLU  93 -17.992  11.691  -5.602
  702   2HB   GLU  93          3HB       GLU  93 -17.491  10.085  -6.134
  703   1HG   GLU  93          2HG       GLU  93 -20.023  10.311  -7.283
  704   2HG   GLU  93          3HG       GLU  93 -19.481  11.979  -7.294
  705    H    LYS  94           H        LYS  94 -17.759   7.971  -5.059
  706    HA   LYS  94           HA       LYS  94 -19.517   6.316  -6.589
  707   1HB   LYS  94          2HB       LYS  94 -17.151   5.642  -4.790
  708   2HB   LYS  94          3HB       LYS  94 -17.979   4.458  -5.818
  709   1HG   LYS  94          2HG       LYS  94 -17.391   5.702  -7.834
  710   2HG   LYS  94          3HG       LYS  94 -16.697   7.006  -6.887
  711   1HD   LYS  94          2HD       LYS  94 -14.828   5.778  -7.615
  712   2HD   LYS  94          3HD       LYS  94 -15.041   5.332  -5.929
  713   1HE   LYS  94          2HE       LYS  94 -14.578   3.298  -7.006
  714   2HE   LYS  94          3HE       LYS  94 -16.328   3.257  -6.781
  715   1HZ   LYS  94          1HZ       LYS  94 -15.675   2.578  -9.022
  716   2HZ   LYS  94          2HZ       LYS  94 -16.567   3.940  -9.127
  717   3HZ   LYS  94          3HZ       LYS  94 -14.937   4.001  -9.303
  718    H    HIS  95           H        HIS  95 -19.223   6.720  -3.020
  719    HA   HIS  95           HA       HIS  95 -20.985   4.544  -2.415
  720   1HB   HIS  95          2HB       HIS  95 -19.505   5.598  -0.746
  721   2HB   HIS  95          3HB       HIS  95 -20.424   7.098  -0.857
  722    HD1  HIS  95           1HD      HIS  95 -21.348   3.370  -0.038
  723    HD2  HIS  95           2HD      HIS  95 -22.131   7.357   1.064
  724    HE1  HIS  95           1HE      HIS  95 -23.022   3.270   1.873
  725    H    GLN  96           H        GLN  96 -21.617   8.076  -2.920
  726    HA   GLN  96           HA       GLN  96 -24.418   7.916  -2.473
  727   1HB   GLN  96          2HB       GLN  96 -22.680   9.841  -4.060
  728   2HB   GLN  96          3HB       GLN  96 -24.427  10.057  -3.912
  729   1HG   GLN  96          2HG       GLN  96 -24.324  10.291  -1.529
  730   2HG   GLN  96          3HG       GLN  96 -22.641   9.770  -1.466
  731   1HE2  GLN  96          2HE2      GLN  96 -20.997  11.146  -2.397
  732   2HE2  GLN  96          1HE2      GLN  96 -21.239  12.890  -2.495
  733    H    ARG  97           H        ARG  97 -22.499   7.467  -5.485
  734    HA   ARG  97           HA       ARG  97 -24.880   6.997  -7.099
  735   1HB   ARG  97          2HB       ARG  97 -21.921   6.533  -7.665
  736   2HB   ARG  97          3HB       ARG  97 -23.226   6.323  -8.842
  737   1HG   ARG  97          2HG       ARG  97 -23.902   8.736  -8.412
  738   2HG   ARG  97          3HG       ARG  97 -22.399   8.931  -7.511
  739   1HD   ARG  97          2HD       ARG  97 -22.669   8.157 -10.453
  740   2HD   ARG  97          3HD       ARG  97 -22.191   9.729  -9.824
  741    HE   ARG  97           HE       ARG  97 -20.078   8.920  -9.202
  742   1HH1  ARG  97          1HH1      ARG  97 -21.921   6.312 -10.806
  743   2HH1  ARG  97          2HH1      ARG  97 -20.521   5.287 -10.946
  744   1HH2  ARG  97          1HH2      ARG  97 -18.366   7.678  -9.434
  745   2HH2  ARG  97          2HH2      ARG  97 -18.468   5.999 -10.009
  746    H    ASN  98           H        ASN  98 -23.736   5.100  -4.684
  747    HA   ASN  98           HA       ASN  98 -23.670   2.947  -4.157
  748   1HB   ASN  98          2HB       ASN  98 -26.114   3.237  -4.403
  749   2HB   ASN  98          3HB       ASN  98 -25.999   2.659  -6.070
  750   1HD2  ASN  98          2HD2      ASN  98 -27.256   0.738  -5.743
  751   2HD2  ASN  98          1HD2      ASN  98 -26.706  -0.571  -4.730
  752    H    GLU  99           H        GLU  99 -21.719   3.569  -5.828
  753    HA   GLU  99           HA       GLU  99 -21.346   1.194  -7.603
  754   1HB   GLU  99          2HB       GLU  99 -21.336   3.453  -8.670
  755   2HB   GLU  99          3HB       GLU  99 -19.982   3.918  -7.634
  756   1HG   GLU  99          2HG       GLU  99 -18.594   2.119  -8.653
  757   2HG   GLU  99          3HG       GLU  99 -19.963   1.637  -9.666
  758    H    LEU 100           H        LEU 100 -20.198   2.989  -4.777
  759    HA   LEU 100           HA       LEU 100 -17.590   1.744  -4.633
  760   1HB   LEU 100          2HB       LEU 100 -18.276   3.885  -3.419
  761   2HB   LEU 100          3HB       LEU 100 -19.282   2.896  -2.365
  762    HG   LEU 100           HG       LEU 100 -17.164   1.646  -1.684
  763   1HD1  LEU 100          1HD1      LEU 100 -15.012   2.872  -2.082
  764   2HD1  LEU 100          2HD1      LEU 100 -15.685   2.173  -3.556
  765   3HD1  LEU 100          3HD1      LEU 100 -15.847   3.919  -3.244
  766   1HD2  LEU 100          1HD2      LEU 100 -18.155   3.397  -0.271
  767   2HD2  LEU 100          2HD2      LEU 100 -16.391   3.426  -0.174
  768   3HD2  LEU 100          3HD2      LEU 100 -17.241   4.641  -1.153
  769    H    LEU 101           H        LEU 101 -20.842   0.984  -3.298
  770    HA   LEU 101           HA       LEU 101 -19.882  -1.134  -1.674
  771   1HB   LEU 101          2HB       LEU 101 -21.963  -0.033  -1.191
  772   2HB   LEU 101          3HB       LEU 101 -22.679  -0.575  -2.696
  773    HG   LEU 101           HG       LEU 101 -22.503  -2.946  -1.933
  774   1HD1  LEU 101          1HD1      LEU 101 -21.981  -3.378   0.485
  775   2HD1  LEU 101          2HD1      LEU 101 -20.572  -2.820  -0.418
  776   3HD1  LEU 101          3HD1      LEU 101 -21.439  -1.690   0.642
  777   1HD2  LEU 101          1HD2      LEU 101 -23.879  -1.069   0.035
  778   2HD2  LEU 101          2HD2      LEU 101 -24.533  -1.604  -1.526
  779   3HD2  LEU 101          3HD2      LEU 101 -24.273  -2.786  -0.231
  780    HA   PRO 102           HA       PRO 102 -20.935  -4.123  -5.408
  781   1HB   PRO 102          2HB       PRO 102 -20.307  -2.070  -7.550
  782   2HB   PRO 102          3HB       PRO 102 -21.275  -3.573  -7.683
  783   1HG   PRO 102          2HG       PRO 102 -22.497  -1.174  -7.383
  784   2HG   PRO 102          3HG       PRO 102 -23.084  -2.601  -6.473
  785   1HD   PRO 102          2HD       PRO 102 -21.428  -0.302  -5.474
  786   2HD   PRO 102          3HD       PRO 102 -22.714  -1.237  -4.666
  787    H    LEU 103           H        LEU 103 -18.511  -1.440  -5.787
  788    HA   LEU 103           HA       LEU 103 -16.420  -3.113  -6.759
  789   1HB   LEU 103          2HB       LEU 103 -16.390  -0.701  -7.046
  790   2HB   LEU 103          3HB       LEU 103 -16.399  -0.438  -5.305
  791    HG   LEU 103           HG       LEU 103 -14.157  -1.444  -5.107
  792   1HD1  LEU 103          1HD1      LEU 103 -14.235  -1.636  -8.150
  793   2HD1  LEU 103          2HD1      LEU 103 -12.786  -1.848  -7.141
  794   3HD1  LEU 103          3HD1      LEU 103 -14.119  -2.996  -7.010
  795   1HD2  LEU 103          1HD2      LEU 103 -14.270   0.750  -7.206
  796   2HD2  LEU 103          2HD2      LEU 103 -14.459   0.991  -5.453
  797   3HD2  LEU 103          3HD2      LEU 103 -12.928   0.391  -6.098
  798    H    LEU 104           H        LEU 104 -17.231  -2.031  -3.433
  799    HA   LEU 104           HA       LEU 104 -15.086  -3.337  -2.080
  800   1HB   LEU 104          2HB       LEU 104 -17.896  -2.497  -1.257
  801   2HB   LEU 104          3HB       LEU 104 -16.791  -3.235  -0.118
  802    HG   LEU 104           HG       LEU 104 -16.097  -0.683  -1.639
  803   1HD1  LEU 104          1HD1      LEU 104 -18.096  -0.290  -0.273
  804   2HD1  LEU 104          2HD1      LEU 104 -17.321  -1.057   1.126
  805   3HD1  LEU 104          3HD1      LEU 104 -16.694   0.480   0.486
  806   1HD2  LEU 104          1HD2      LEU 104 -14.440  -0.390   0.157
  807   2HD2  LEU 104          2HD2      LEU 104 -14.939  -1.933   0.881
  808   3HD2  LEU 104          3HD2      LEU 104 -14.152  -1.899  -0.713
  809    H    GLN 105           H        GLN 105 -18.403  -4.416  -2.897
  810    HA   GLN 105           HA       GLN 105 -18.285  -6.945  -1.636
  811   1HB   GLN 105          2HB       GLN 105 -19.849  -5.833  -4.000
  812   2HB   GLN 105          3HB       GLN 105 -19.993  -7.521  -3.539
  813   1HG   GLN 105          2HG       GLN 105 -20.616  -6.846  -1.236
  814   2HG   GLN 105          3HG       GLN 105 -20.533  -5.152  -1.711
  815   1HE2  GLN 105          2HE2      GLN 105 -22.703  -7.628  -1.177
  816   2HE2  GLN 105          1HE2      GLN 105 -23.995  -7.092  -2.237
  817    H    ASP 106           H        ASP 106 -17.551  -6.049  -5.027
  818    HA   ASP 106           HA       ASP 106 -16.776  -8.649  -5.829
  819   1HB   ASP 106          2HB       ASP 106 -17.353  -7.007  -7.419
  820   2HB   ASP 106          3HB       ASP 106 -16.064  -5.913  -6.885
  821    H    ALA 107           H        ALA 107 -14.816  -6.021  -4.384
  822    HA   ALA 107           HA       ALA 107 -12.317  -7.450  -4.447
  823   1HB   ALA 107          1HB       ALA 107 -12.488  -4.990  -4.273
  824   2HB   ALA 107          2HB       ALA 107 -13.252  -5.148  -2.673
  825   3HB   ALA 107          3HB       ALA 107 -11.572  -5.664  -2.911
  826    H    ALA 108           H        ALA 108 -15.061  -8.257  -2.753
  827    HA   ALA 108           HA       ALA 108 -15.649  -9.378  -0.966
  828   1HB   ALA 108          1HB       ALA 108 -14.199 -11.129  -1.944
  829   2HB   ALA 108          2HB       ALA 108 -12.853 -10.560  -0.925
  830   3HB   ALA 108          3HB       ALA 108 -14.319 -11.229  -0.179
  831    H    ALA 109           H        ALA 109 -14.569  -6.683  -0.604
  832    HA   ALA 109           HA       ALA 109 -13.396  -6.570   2.075
  833   1HB   ALA 109          1HB       ALA 109 -14.959  -4.469   0.521
  834   2HB   ALA 109          2HB       ALA 109 -13.891  -4.202   1.908
  835   3HB   ALA 109          3HB       ALA 109 -13.211  -4.729   0.344
  836    H    THR 110           H        THR 110 -16.603  -6.818   0.582
  837    HA   THR 110           HA       THR 110 -17.920  -6.998   3.213
  838    HB   THR 110           HB       THR 110 -19.864  -5.909   1.914
  839    HG1  THR 110           1HG      THR 110 -19.286  -4.664   0.157
  840   1HG2  THR 110          1HG2      THR 110 -17.441  -4.115   2.344
  841   2HG2  THR 110          2HG2      THR 110 -19.147  -3.623   2.341
  842   3HG2  THR 110          3HG2      THR 110 -18.541  -4.665   3.637
  843    H    ALA 111           H        ALA 111 -20.059  -8.132   2.861
  844    HA   ALA 111           HA       ALA 111 -19.833 -10.698   1.573
  845   1HB   ALA 111          1HB       ALA 111 -22.188 -10.909   2.218
  846   2HB   ALA 111          2HB       ALA 111 -21.199 -10.312   3.567
  847   3HB   ALA 111          3HB       ALA 111 -22.242  -9.189   2.659
  848    H    LYS 112           H        LYS 112 -19.368 -10.521  -0.611
  849    HA   LYS 112           HA       LYS 112 -21.058  -9.059  -2.449
  850   1HB   LYS 112          2HB       LYS 112 -20.101 -10.546  -4.180
  851   2HB   LYS 112          3HB       LYS 112 -18.904  -9.704  -3.222
  852   1HG   LYS 112          2HG       LYS 112 -18.436 -11.773  -1.929
  853   2HG   LYS 112          3HG       LYS 112 -19.695 -12.621  -2.840
  854   1HD   LYS 112          2HD       LYS 112 -17.516 -13.188  -3.734
  855   2HD   LYS 112          3HD       LYS 112 -18.443 -12.265  -4.935
  856   1HE   LYS 112          2HE       LYS 112 -17.198 -10.227  -4.384
  857   2HE   LYS 112          3HE       LYS 112 -16.348 -11.039  -3.076
  858   1HZ   LYS 112          1HZ       LYS 112 -15.022 -10.828  -5.109
  859   2HZ   LYS 112          2HZ       LYS 112 -15.226 -12.408  -4.715
  860   3HZ   LYS 112          3HZ       LYS 112 -16.079 -11.753  -5.947
  861    H    ASN 113           H        ASN 113 -22.615  -9.965  -3.808
  862    HA   ASN 113           HA       ASN 113 -24.494 -11.815  -2.640
  863   1HB   ASN 113          2HB       ASN 113 -25.252 -10.229  -4.314
  864   2HB   ASN 113          3HB       ASN 113 -24.045 -10.795  -5.473
  865   1HD2  ASN 113          2HD2      ASN 113 -25.031 -11.977  -7.086
  866   2HD2  ASN 113          1HD2      ASN 113 -26.349 -13.105  -6.827
  867    HA   PRO 114           HA       PRO 114 -21.930 -15.477  -3.336
  868   1HB   PRO 114          2HB       PRO 114 -24.707 -16.692  -3.477
  869   2HB   PRO 114          3HB       PRO 114 -23.225 -17.386  -2.738
  870   1HG   PRO 114          2HG       PRO 114 -25.026 -16.086  -1.189
  871   2HG   PRO 114          3HG       PRO 114 -23.272 -15.797  -0.960
  872   1HD   PRO 114          2HD       PRO 114 -25.306 -14.035  -2.282
  873   2HD   PRO 114          3HD       PRO 114 -23.835 -13.604  -1.346
  874    H    ALA 115           H        ALA 115 -23.961 -14.243  -5.832
  875    HA   ALA 115           HA       ALA 115 -22.728 -16.113  -7.790
  876   1HB   ALA 115          1HB       ALA 115 -24.732 -15.949  -9.160
  877   2HB   ALA 115          2HB       ALA 115 -25.162 -16.549  -7.551
  878   3HB   ALA 115          3HB       ALA 115 -25.495 -14.856  -7.990
  879    H    GLN 116           H        GLN 116 -21.878 -13.457  -6.623
  880    HA   GLN 116           HA       GLN 116 -20.863 -11.555  -7.219
  881   1HB   GLN 116          2HB       GLN 116 -20.998 -12.460 -10.116
  882   2HB   GLN 116          3HB       GLN 116 -19.982 -11.194  -9.437
  883   1HG   GLN 116          2HG       GLN 116 -18.821 -12.871  -8.012
  884   2HG   GLN 116          3HG       GLN 116 -19.786 -14.157  -8.745
  885   1HE2  GLN 116          2HE2      GLN 116 -19.582 -14.471 -11.157
  886   2HE2  GLN 116          1HE2      GLN 116 -18.056 -14.089 -11.911
  887    H    LEU 117           H        LEU 117 -21.190  -9.577  -8.984
  888    HA   LEU 117           HA       LEU 117 -24.040  -8.977  -9.299
  889   1HB   LEU 117          2HB       LEU 117 -23.566  -8.266  -6.977
  890   2HB   LEU 117          3HB       LEU 117 -22.136  -7.380  -7.525
  891    HG   LEU 117           HG       LEU 117 -23.556  -5.827  -8.826
  892   1HD1  LEU 117          1HD1      LEU 117 -25.892  -7.413  -7.653
  893   2HD1  LEU 117          2HD1      LEU 117 -26.031  -5.844  -8.476
  894   3HD1  LEU 117          3HD1      LEU 117 -25.480  -7.255  -9.375
  895   1HD2  LEU 117          1HD2      LEU 117 -24.556  -4.665  -6.912
  896   2HD2  LEU 117          2HD2      LEU 117 -24.438  -6.139  -5.927
  897   3HD2  LEU 117          3HD2      LEU 117 -22.968  -5.320  -6.485
  Start of MODEL   14
    1   1H    MET   1           H1       MET   1  19.507  10.813  -7.162
    2   2H    MET   1           H2       MET   1  20.679  11.936  -7.416
    3   3H    MET   1           H3       MET   1  21.045  10.339  -7.441
    4    HA   MET   1           HA       MET   1  21.806  11.274  -5.400
    5   1HB   MET   1          2HB       MET   1  20.211  13.156  -5.315
    6   2HB   MET   1          3HB       MET   1  18.878  12.043  -4.985
    7   1HG   MET   1          2HG       MET   1  19.694  13.182  -2.959
    8   2HG   MET   1          3HG       MET   1  19.842  11.435  -2.846
    9   1HE   MET   1          1HE       MET   1  22.823  12.603  -0.639
   10   2HE   MET   1          2HE       MET   1  21.201  13.319  -0.771
   11   3HE   MET   1          3HE       MET   1  21.396  11.551  -0.758
   12    H    ALA   2           H        ALA   2  22.149   9.711  -3.845
   13    HA   ALA   2           HA       ALA   2  21.260   7.114  -4.290
   14   1HB   ALA   2          1HB       ALA   2  23.333   7.701  -3.094
   15   2HB   ALA   2          2HB       ALA   2  22.380   8.312  -1.718
   16   3HB   ALA   2          3HB       ALA   2  22.339   6.588  -2.138
   17    H    SER   3           H        SER   3  19.721   9.564  -2.203
   18    HA   SER   3           HA       SER   3  18.055   8.035  -0.652
   19   1HB   SER   3          2HB       SER   3  17.227  10.609  -2.029
   20   2HB   SER   3          3HB       SER   3  16.740  10.013  -0.430
   21    HG   SER   3           HG       SER   3  18.352  11.583  -0.219
   22    H    LYS   4           H        LYS   4  17.849   8.285  -4.159
   23    HA   LYS   4           HA       LYS   4  15.134   7.594  -4.528
   24   1HB   LYS   4          2HB       LYS   4  15.747   6.801  -6.684
   25   2HB   LYS   4          3HB       LYS   4  16.741   8.213  -6.333
   26   1HG   LYS   4          2HG       LYS   4  18.636   6.639  -5.713
   27   2HG   LYS   4          3HG       LYS   4  17.609   5.285  -6.213
   28   1HD   LYS   4          2HD       LYS   4  17.440   6.248  -8.493
   29   2HD   LYS   4          3HD       LYS   4  18.511   7.580  -8.001
   30   1HE   LYS   4          2HE       LYS   4  20.304   5.952  -7.475
   31   2HE   LYS   4          3HE       LYS   4  19.235   4.613  -7.909
   32   1HZ   LYS   4          1HZ       LYS   4  19.191   5.462 -10.179
   33   2HZ   LYS   4          2HZ       LYS   4  20.179   6.704  -9.786
   34   3HZ   LYS   4          3HZ       LYS   4  20.724   5.172  -9.718
   35    H    GLN   5           H        GLN   5  17.814   5.584  -3.311
   36    HA   GLN   5           HA       GLN   5  16.508   3.066  -3.691
   37   1HB   GLN   5          2HB       GLN   5  18.925   3.397  -3.252
   38   2HB   GLN   5          3HB       GLN   5  18.578   3.907  -1.601
   39   1HG   GLN   5          2HG       GLN   5  17.531   1.218  -2.517
   40   2HG   GLN   5          3HG       GLN   5  19.262   1.394  -2.290
   41   1HE2  GLN   5          2HE2      GLN   5  16.123   1.545  -0.559
   42   2HE2  GLN   5          1HE2      GLN   5  16.825   1.299   1.029
   43    H    GLU   6           H        GLU   6  16.334   5.543  -1.070
   44    HA   GLU   6           HA       GLU   6  14.710   3.836   0.647
   45   1HB   GLU   6          2HB       GLU   6  15.253   6.838   0.677
   46   2HB   GLU   6          3HB       GLU   6  14.235   5.985   1.843
   47   1HG   GLU   6          2HG       GLU   6  16.201   4.503   2.397
   48   2HG   GLU   6          3HG       GLU   6  17.206   5.530   1.370
   49    H    LEU   7           H        LEU   7  14.103   6.412  -1.793
   50    HA   LEU   7           HA       LEU   7  11.300   6.546  -1.418
   51   1HB   LEU   7          2HB       LEU   7  12.668   8.157  -2.758
   52   2HB   LEU   7          3HB       LEU   7  12.897   6.910  -3.986
   53    HG   LEU   7           HG       LEU   7  10.423   6.850  -4.373
   54   1HD1  LEU   7          1HD1      LEU   7   9.067   8.780  -3.515
   55   2HD1  LEU   7          2HD1      LEU   7   9.559   7.670  -2.230
   56   3HD1  LEU   7          3HD1      LEU   7  10.408   9.217  -2.440
   57   1HD2  LEU   7          1HD2      LEU   7  11.908   8.224  -5.776
   58   2HD2  LEU   7          2HD2      LEU   7  10.324   8.985  -5.583
   59   3HD2  LEU   7          3HD2      LEU   7  11.718   9.593  -4.659
   60    H    ASP   8           H        ASP   8  13.254   4.411  -3.575
   61    HA   ASP   8           HA       ASP   8  11.037   3.015  -4.670
   62   1HB   ASP   8          2HB       ASP   8  13.238   3.044  -5.739
   63   2HB   ASP   8          3HB       ASP   8  13.963   2.236  -4.347
   64    H    ALA   9           H        ALA   9  13.089   2.318  -1.776
   65    HA   ALA   9           HA       ALA   9  11.839  -0.199  -1.216
   66   1HB   ALA   9          1HB       ALA   9  13.147   1.810   0.684
   67   2HB   ALA   9          2HB       ALA   9  12.757   0.121   1.065
   68   3HB   ALA   9          3HB       ALA   9  13.971   0.485  -0.176
   69    H    ALA  10           H        ALA  10  11.066   3.170  -0.200
   70    HA   ALA  10           HA       ALA  10   8.801   2.500   1.400
   71   1HB   ALA  10          1HB       ALA  10   9.492   5.045  -0.134
   72   2HB   ALA  10          2HB       ALA  10   8.212   4.891   1.085
   73   3HB   ALA  10          3HB       ALA  10   9.907   4.673   1.552
   74    H    LEU  11           H        LEU  11   9.118   3.237  -2.121
   75    HA   LEU  11           HA       LEU  11   6.353   3.031  -2.764
   76   1HB   LEU  11          2HB       LEU  11   7.996   4.036  -4.226
   77   2HB   LEU  11          3HB       LEU  11   8.907   2.555  -4.344
   78    HG   LEU  11           HG       LEU  11   7.568   3.269  -6.332
   79   1HD1  LEU  11          1HD1      LEU  11   7.117   1.084  -7.086
   80   2HD1  LEU  11          2HD1      LEU  11   8.510   0.986  -6.003
   81   3HD1  LEU  11          3HD1      LEU  11   6.909   0.447  -5.443
   82   1HD2  LEU  11          1HD2      LEU  11   5.146   2.157  -4.878
   83   2HD2  LEU  11          2HD2      LEU  11   5.515   3.882  -5.038
   84   3HD2  LEU  11          3HD2      LEU  11   5.229   2.900  -6.487
   85    H    LYS  12           H        LYS  12   8.891   0.474  -2.735
   86    HA   LYS  12           HA       LYS  12   7.136  -1.624  -3.448
   87   1HB   LYS  12          2HB       LYS  12   9.591  -1.797  -3.445
   88   2HB   LYS  12          3HB       LYS  12   9.637  -1.615  -1.689
   89   1HG   LYS  12          2HG       LYS  12   8.453  -3.757  -1.405
   90   2HG   LYS  12          3HG       LYS  12   8.338  -3.940  -3.169
   91   1HD   LYS  12          2HD       LYS  12  10.788  -4.010  -3.355
   92   2HD   LYS  12          3HD       LYS  12  10.957  -3.700  -1.612
   93   1HE   LYS  12          2HE       LYS  12   9.785  -5.803  -1.101
   94   2HE   LYS  12          3HE       LYS  12   9.559  -6.121  -2.828
   95   1HZ   LYS  12          1HZ       LYS  12  11.974  -6.259  -3.046
   96   2HZ   LYS  12          2HZ       LYS  12  12.180  -5.966  -1.451
   97   3HZ   LYS  12          3HZ       LYS  12  11.448  -7.334  -1.943
   98    H    LYS  13           H        LYS  13   7.973  -0.339  -0.175
   99    HA   LYS  13           HA       LYS  13   6.254  -2.129   1.208
  100   1HB   LYS  13          2HB       LYS  13   8.084  -0.659   2.197
  101   2HB   LYS  13          3HB       LYS  13   6.945   0.697   2.114
  102   1HG   LYS  13          2HG       LYS  13   5.347  -0.597   3.545
  103   2HG   LYS  13          3HG       LYS  13   6.489  -1.950   3.576
  104   1HD   LYS  13          2HD       LYS  13   8.173  -0.435   4.662
  105   2HD   LYS  13          3HD       LYS  13   6.922   0.833   4.735
  106   1HE   LYS  13          2HE       LYS  13   5.500  -0.594   6.131
  107   2HE   LYS  13          3HE       LYS  13   6.619  -1.950   5.950
  108   1HZ   LYS  13          1HZ       LYS  13   8.276  -0.694   7.173
  109   2HZ   LYS  13          2HZ       LYS  13   7.274   0.588   7.335
  110   3HZ   LYS  13          3HZ       LYS  13   6.923  -0.830   8.064
  111    H    ALA  14           H        ALA  14   5.543   1.094  -0.278
  112    HA   ALA  14           HA       ALA  14   2.900   1.287   0.695
  113   1HB   ALA  14          1HB       ALA  14   4.128   3.152  -0.417
  114   2HB   ALA  14          2HB       ALA  14   3.950   2.314  -1.976
  115   3HB   ALA  14          3HB       ALA  14   2.512   2.861  -1.098
  116    H    LYS  15           H        LYS  15   4.142  -0.274  -2.336
  117    HA   LYS  15           HA       LYS  15   1.565  -1.088  -3.263
  118   1HB   LYS  15          2HB       LYS  15   4.331  -2.288  -3.713
  119   2HB   LYS  15          3HB       LYS  15   2.858  -2.863  -4.511
  120   1HG   LYS  15          2HG       LYS  15   2.476  -0.674  -5.512
  121   2HG   LYS  15          3HG       LYS  15   3.924  -0.015  -4.729
  122   1HD   LYS  15          2HD       LYS  15   5.337  -1.604  -5.987
  123   2HD   LYS  15          3HD       LYS  15   3.887  -2.332  -6.715
  124   1HE   LYS  15          2HE       LYS  15   3.302  -0.111  -7.708
  125   2HE   LYS  15          3HE       LYS  15   4.794   0.565  -7.049
  126   1HZ   LYS  15          1HZ       LYS  15   6.025  -1.041  -8.434
  127   2HZ   LYS  15          2HZ       LYS  15   4.628  -1.627  -9.046
  128   3HZ   LYS  15          3HZ       LYS  15   5.071  -0.094  -9.359
  129    H    GLU  16           H        GLU  16   3.912  -2.745  -1.097
  130    HA   GLU  16           HA       GLU  16   2.372  -5.110  -0.781
  131   1HB   GLU  16          2HB       GLU  16   4.753  -4.864  -0.150
  132   2HB   GLU  16          3HB       GLU  16   4.303  -3.792   1.181
  133   1HG   GLU  16          2HG       GLU  16   3.002  -5.615   2.232
  134   2HG   GLU  16          3HG       GLU  16   3.361  -6.676   0.868
  135    H    LEU  17           H        LEU  17   2.477  -2.117   1.224
  136    HA   LEU  17           HA       LEU  17   0.541  -2.792   3.136
  137   1HB   LEU  17          2HB       LEU  17   1.425  -0.157   1.913
  138   2HB   LEU  17          3HB       LEU  17   0.133  -0.186   3.097
  139    HG   LEU  17           HG       LEU  17   2.810  -1.465   3.716
  140   1HD1  LEU  17          1HD1      LEU  17   2.063   1.439   4.204
  141   2HD1  LEU  17          2HD1      LEU  17   3.511   0.617   4.805
  142   3HD1  LEU  17          3HD1      LEU  17   3.285   0.850   3.066
  143   1HD2  LEU  17          1HD2      LEU  17   0.947  -2.022   5.209
  144   2HD2  LEU  17          2HD2      LEU  17   2.148  -1.029   6.042
  145   3HD2  LEU  17          3HD2      LEU  17   0.631  -0.292   5.486
  146    H    ALA  18           H        ALA  18   0.097  -1.111   0.003
  147    HA   ALA  18           HA       ALA  18  -2.669  -0.733   0.077
  148   1HB   ALA  18          1HB       ALA  18  -1.112   0.358  -1.517
  149   2HB   ALA  18          2HB       ALA  18  -0.840  -1.204  -2.317
  150   3HB   ALA  18          3HB       ALA  18  -2.445  -0.452  -2.362
  151    H    SER  19           H        SER  19  -0.981  -3.741  -0.329
  152    HA   SER  19           HA       SER  19  -3.376  -5.036  -1.551
  153   1HB   SER  19          2HB       SER  19  -0.488  -5.975  -1.604
  154   2HB   SER  19          3HB       SER  19  -1.850  -6.580  -2.563
  155    HG   SER  19           HG       SER  19  -0.406  -4.161  -2.765
  156    H    SER  20           H        SER  20  -1.575  -4.787   1.357
  157    HA   SER  20           HA       SER  20  -1.633  -7.487   2.200
  158   1HB   SER  20          2HB       SER  20  -0.944  -6.586   4.364
  159   2HB   SER  20          3HB       SER  20  -0.038  -5.868   3.034
  160    HG   SER  20           HG       SER  20  -1.525  -4.026   3.198
  161    H    ALA  21           H        ALA  21  -4.267  -5.349   1.973
  162    HA   ALA  21           HA       ALA  21  -6.009  -7.190   3.444
  163   1HB   ALA  21          1HB       ALA  21  -5.476  -5.448   5.128
  164   2HB   ALA  21          2HB       ALA  21  -5.900  -4.175   3.961
  165   3HB   ALA  21          3HB       ALA  21  -7.151  -5.253   4.584
  166    HA   PRO  22           HA       PRO  22  -8.391  -6.434  -0.171
  167   1HB   PRO  22          2HB       PRO  22 -11.032  -6.329   0.644
  168   2HB   PRO  22          3HB       PRO  22 -10.054  -7.824   0.563
  169   1HG   PRO  22          2HG       PRO  22 -10.553  -6.062   2.985
  170   2HG   PRO  22          3HG       PRO  22 -10.712  -7.847   2.862
  171   1HD   PRO  22          2HD       PRO  22  -8.492  -6.740   3.887
  172   2HD   PRO  22          3HD       PRO  22  -8.346  -8.125   2.770
  173    H    VAL  23           H        VAL  23  -8.730  -4.059   2.429
  174    HA   VAL  23           HA       VAL  23  -9.038  -1.931   0.426
  175    HB   VAL  23           HB       VAL  23 -10.668  -2.055   2.988
  176   1HG1  VAL  23          1HG1      VAL  23 -10.701  -0.048   0.695
  177   2HG1  VAL  23          2HG1      VAL  23 -11.865  -0.078   2.034
  178   3HG1  VAL  23          3HG1      VAL  23 -10.164   0.251   2.355
  179   1HG2  VAL  23          1HG2      VAL  23 -11.631  -3.673   1.493
  180   2HG2  VAL  23          2HG2      VAL  23 -12.678  -2.267   1.618
  181   3HG2  VAL  23          3HG2      VAL  23 -11.669  -2.496   0.164
  182    H    VAL  24           H        VAL  24  -7.792  -0.124   1.060
  183    HA   VAL  24           HA       VAL  24  -6.431  -0.211   3.692
  184    HB   VAL  24           HB       VAL  24  -4.972   0.031   1.021
  185   1HG1  VAL  24          1HG1      VAL  24  -3.848   1.217   2.870
  186   2HG1  VAL  24          2HG1      VAL  24  -3.929  -0.250   3.876
  187   3HG1  VAL  24          3HG1      VAL  24  -2.931  -0.214   2.411
  188   1HG2  VAL  24          1HG2      VAL  24  -5.079  -2.364   2.896
  189   2HG2  VAL  24          2HG2      VAL  24  -5.704  -2.301   1.228
  190   3HG2  VAL  24          3HG2      VAL  24  -3.989  -2.187   1.519
  191    H    VAL  25           H        VAL  25  -6.163   1.820   4.497
  192    HA   VAL  25           HA       VAL  25  -6.852   4.150   2.773
  193    HB   VAL  25           HB       VAL  25  -7.529   3.644   5.704
  194   1HG1  VAL  25          1HG1      VAL  25  -8.340   5.879   3.790
  195   2HG1  VAL  25          2HG1      VAL  25  -8.998   5.636   5.429
  196   3HG1  VAL  25          3HG1      VAL  25  -7.293   6.028   5.208
  197   1HG2  VAL  25          1HG2      VAL  25  -9.864   3.448   4.953
  198   2HG2  VAL  25          2HG2      VAL  25  -9.336   3.511   3.257
  199   3HG2  VAL  25          3HG2      VAL  25  -8.870   2.149   4.302
  200    H    PHE  26           H        PHE  26  -4.790   4.870   2.311
  201    HA   PHE  26           HA       PHE  26  -2.765   5.252   4.411
  202   1HB   PHE  26          2HB       PHE  26  -3.009   6.406   1.602
  203   2HB   PHE  26          3HB       PHE  26  -1.635   6.619   2.680
  204    HD1  PHE  26           1HD      PHE  26  -3.244   4.406   0.276
  205    HD2  PHE  26           2HD      PHE  26  -0.253   4.582   3.373
  206    HE1  PHE  26           1HE      PHE  26  -2.250   2.287  -0.557
  207    HE2  PHE  26           2HE      PHE  26   0.729   2.448   2.539
  208    HZ   PHE  26           HZ       PHE  26  -0.267   1.314   0.574
  209    H    SER  27           H        SER  27  -2.837   6.965   5.828
  210    HA   SER  27           HA       SER  27  -4.623   9.268   5.338
  211   1HB   SER  27          2HB       SER  27  -5.817   8.556   7.555
  212   2HB   SER  27          3HB       SER  27  -6.274   7.773   6.050
  213    HG   SER  27           HG       SER  27  -5.109   5.969   6.619
  214    H    LYS  28           H        LYS  28  -4.784  10.287   7.859
  215    HA   LYS  28           HA       LYS  28  -2.218   9.998   9.226
  216   1HB   LYS  28          2HB       LYS  28  -3.236  12.676   8.198
  217   2HB   LYS  28          3HB       LYS  28  -2.116  12.531   9.562
  218   1HG   LYS  28          2HG       LYS  28  -0.573  11.195   8.080
  219   2HG   LYS  28          3HG       LYS  28  -1.634  11.571   6.716
  220   1HD   LYS  28          2HD       LYS  28  -1.209  14.002   7.084
  221   2HD   LYS  28          3HD       LYS  28  -0.110  13.587   8.422
  222   1HE   LYS  28          2HE       LYS  28   1.253  12.201   6.840
  223   2HE   LYS  28          3HE       LYS  28   0.174  12.664   5.519
  224   1HZ   LYS  28          1HZ       LYS  28   1.934  14.498   7.041
  225   2HZ   LYS  28          2HZ       LYS  28   2.122  14.003   5.487
  226   3HZ   LYS  28          3HZ       LYS  28   0.873  14.982   5.890
  227    H    THR  29           H        THR  29  -2.411  11.131  11.410
  228    HA   THR  29           HA       THR  29  -4.423   9.689  12.724
  229    HB   THR  29           HB       THR  29  -3.282  10.997  14.705
  230    HG1  THR  29           1HG      THR  29  -1.308  11.937  14.046
  231   1HG2  THR  29          1HG2      THR  29  -1.561   9.307  12.830
  232   2HG2  THR  29          2HG2      THR  29  -1.290   9.592  14.562
  233   3HG2  THR  29          3HG2      THR  29  -2.705   8.672  14.034
  234    H    TYR  30           H        TYR  30  -4.658  12.999  11.565
  235    HA   TYR  30           HA       TYR  30  -6.849  13.469  13.547
  236   1HB   TYR  30          2HB       TYR  30  -6.021  15.724  13.825
  237   2HB   TYR  30          3HB       TYR  30  -4.781  14.555  14.234
  238    HD1  TYR  30           1HD      TYR  30  -2.751  14.286  12.809
  239    HD2  TYR  30           2HD      TYR  30  -5.820  17.163  11.827
  240    HE1  TYR  30           1HE      TYR  30  -1.227  15.354  11.180
  241    HE2  TYR  30           2HE      TYR  30  -4.329  18.197  10.158
  242    HH   TYR  30           HH       TYR  30  -2.197  18.194   9.197
  243    H    CYS  31           H        CYS  31  -5.891  13.907  10.132
  244    HA   CYS  31           HA       CYS  31  -7.416  16.082   9.538
  245   1HB   CYS  31          2HB       CYS  31  -6.950  13.710   7.707
  246   2HB   CYS  31          3HB       CYS  31  -7.199  15.404   7.236
  247    H    GLY  32           H        GLY  32  -9.474  16.571   9.172
  248   1HA   GLY  32          1HA       GLY  32 -11.629  15.021  10.024
  249   2HA   GLY  32          2HA       GLY  32 -11.741  16.425   8.945
  250    H    TYR  33           H        TYR  33 -10.287  15.365   6.701
  251    HA   TYR  33           HA       TYR  33 -12.341  13.797   5.448
  252   1HB   TYR  33          2HB       TYR  33  -9.528  14.527   4.560
  253   2HB   TYR  33          3HB       TYR  33 -10.691  13.672   3.558
  254    HD1  TYR  33           1HD      TYR  33  -9.683  16.950   4.818
  255    HD2  TYR  33           2HD      TYR  33 -12.878  14.754   2.913
  256    HE1  TYR  33           1HE      TYR  33 -10.722  19.078   4.116
  257    HE2  TYR  33           2HE      TYR  33 -13.924  16.882   2.205
  258    HH   TYR  33           HH       TYR  33 -12.493  20.090   2.985
  259    H    CYS  34           H        CYS  34  -9.278  12.864   7.062
  260    HA   CYS  34           HA       CYS  34  -9.355  10.109   6.108
  261   1HB   CYS  34          2HB       CYS  34  -8.050  11.362   8.574
  262   2HB   CYS  34          3HB       CYS  34  -7.887   9.672   8.088
  263    HG   CYS  34           HG       CYS  34  -7.164  12.347   6.247
  264    H    ASN  35           H        ASN  35 -10.549  11.850   9.015
  265    HA   ASN  35           HA       ASN  35 -11.973   9.693  10.186
  266   1HB   ASN  35          2HB       ASN  35 -11.970  11.427  11.627
  267   2HB   ASN  35          3HB       ASN  35 -11.983  12.653  10.379
  268   1HD2  ASN  35          2HD2      ASN  35 -13.983  13.437   9.549
  269   2HD2  ASN  35          1HD2      ASN  35 -15.494  13.125  10.379
  270    H    ARG  36           H        ARG  36 -13.065  11.929   7.557
  271    HA   ARG  36           HA       ARG  36 -15.706  10.858   7.431
  272   1HB   ARG  36          2HB       ARG  36 -14.002  12.250   5.330
  273   2HB   ARG  36          3HB       ARG  36 -15.664  11.746   5.030
  274   1HG   ARG  36          2HG       ARG  36 -16.519  13.172   6.790
  275   2HG   ARG  36          3HG       ARG  36 -14.893  13.603   7.315
  276   1HD   ARG  36          2HD       ARG  36 -14.482  14.621   5.042
  277   2HD   ARG  36          3HD       ARG  36 -16.170  14.305   4.646
  278    HE   ARG  36           HE       ARG  36 -16.867  15.789   6.417
  279   1HH1  ARG  36          1HH2      ARG  36 -13.467  16.194   5.427
  280   2HH1  ARG  36          2HH2      ARG  36 -13.277  17.694   6.252
  281   1HH2  ARG  36          1HH1      ARG  36 -16.608  17.803   7.449
  282   2HH2  ARG  36          2HH1      ARG  36 -15.109  18.644   7.385
  283    H    VAL  37           H        VAL  37 -12.728   9.860   5.605
  284    HA   VAL  37           HA       VAL  37 -14.071   7.816   4.128
  285    HB   VAL  37           HB       VAL  37 -11.165   8.140   4.986
  286   1HG1  VAL  37          1HG1      VAL  37 -10.597   6.450   3.302
  287   2HG1  VAL  37          2HG1      VAL  37 -11.531   5.729   4.597
  288   3HG1  VAL  37          3HG1      VAL  37 -12.321   6.087   3.044
  289   1HG2  VAL  37          1HG2      VAL  37 -10.936   8.660   2.519
  290   2HG2  VAL  37          2HG2      VAL  37 -12.702   8.591   2.389
  291   3HG2  VAL  37          3HG2      VAL  37 -11.931   9.824   3.408
  292    H    LYS  38           H        LYS  38 -12.354   7.645   7.300
  293    HA   LYS  38           HA       LYS  38 -12.803   4.912   7.803
  294   1HB   LYS  38          2HB       LYS  38 -12.759   7.273   9.731
  295   2HB   LYS  38          3HB       LYS  38 -12.787   5.592  10.251
  296   1HG   LYS  38          2HG       LYS  38 -10.630   5.143   9.225
  297   2HG   LYS  38          3HG       LYS  38 -10.588   6.735   8.462
  298   1HD   LYS  38          2HD       LYS  38 -10.585   7.816  10.702
  299   2HD   LYS  38          3HD       LYS  38 -10.619   6.218  11.470
  300   1HE   LYS  38          2HE       LYS  38  -8.436   5.670  10.432
  301   2HE   LYS  38          3HE       LYS  38  -8.399   7.250   9.641
  302   1HZ   LYS  38          1HZ       LYS  38  -7.089   7.246  11.703
  303   2HZ   LYS  38          2HZ       LYS  38  -8.347   8.277  11.844
  304   3HZ   LYS  38          3HZ       LYS  38  -8.397   6.815  12.576
  305    H    GLN  39           H        GLN  39 -15.025   7.669   8.638
  306    HA   GLN  39           HA       GLN  39 -17.080   5.952   9.631
  307   1HB   GLN  39          2HB       GLN  39 -17.216   8.767   8.465
  308   2HB   GLN  39          3HB       GLN  39 -18.597   7.901   9.147
  309   1HG   GLN  39          2HG       GLN  39 -17.310   7.660  11.314
  310   2HG   GLN  39          3HG       GLN  39 -16.070   8.713  10.636
  311   1HE2  GLN  39          2HE2      GLN  39 -16.308  10.759  11.586
  312   2HE2  GLN  39          1HE2      GLN  39 -17.851  11.549  11.834
  313    H    LEU  40           H        LEU  40 -16.460   7.159   6.290
  314    HA   LEU  40           HA       LEU  40 -18.897   6.306   5.149
  315   1HB   LEU  40          2HB       LEU  40 -17.084   7.802   4.135
  316   2HB   LEU  40          3HB       LEU  40 -16.160   6.342   3.812
  317    HG   LEU  40           HG       LEU  40 -18.204   5.534   2.425
  318   1HD1  LEU  40          1HD1      LEU  40 -19.611   7.415   1.548
  319   2HD1  LEU  40          2HD1      LEU  40 -19.921   7.055   3.251
  320   3HD1  LEU  40          3HD1      LEU  40 -18.944   8.471   2.802
  321   1HD2  LEU  40          1HD2      LEU  40 -17.515   6.844   0.488
  322   2HD2  LEU  40          2HD2      LEU  40 -16.680   8.009   1.547
  323   3HD2  LEU  40          3HD2      LEU  40 -16.114   6.328   1.432
  324    H    LEU  41           H        LEU  41 -15.743   4.607   5.386
  325    HA   LEU  41           HA       LEU  41 -16.666   2.192   4.128
  326   1HB   LEU  41          2HB       LEU  41 -14.272   2.825   5.885
  327   2HB   LEU  41          3HB       LEU  41 -14.534   1.256   5.126
  328    HG   LEU  41           HG       LEU  41 -14.259   3.868   3.581
  329   1HD1  LEU  41          1HD1      LEU  41 -12.239   1.630   4.003
  330   2HD1  LEU  41          2HD1      LEU  41 -12.014   3.085   3.006
  331   3HD1  LEU  41          3HD1      LEU  41 -12.190   3.233   4.763
  332   1HD2  LEU  41          1HD2      LEU  41 -14.334   0.965   2.633
  333   2HD2  LEU  41          2HD2      LEU  41 -15.533   2.230   2.276
  334   3HD2  LEU  41          3HD2      LEU  41 -13.902   2.359   1.621
  335    H    THR  42           H        THR  42 -16.450   3.231   7.558
  336    HA   THR  42           HA       THR  42 -17.226   0.763   8.722
  337    HB   THR  42           HB       THR  42 -17.767   3.634   9.609
  338    HG1  THR  42           1HG      THR  42 -15.610   3.274   9.449
  339   1HG2  THR  42          1HG2      THR  42 -17.857   2.697  11.910
  340   2HG2  THR  42          2HG2      THR  42 -19.200   2.138  10.909
  341   3HG2  THR  42          3HG2      THR  42 -17.830   1.050  11.230
  342    H    GLN  43           H        GLN  43 -19.229   3.450   7.380
  343    HA   GLN  43           HA       GLN  43 -21.707   2.381   8.293
  344   1HB   GLN  43          2HB       GLN  43 -20.963   4.369   6.128
  345   2HB   GLN  43          3HB       GLN  43 -22.642   3.888   6.387
  346   1HG   GLN  43          2HG       GLN  43 -22.676   4.698   8.635
  347   2HG   GLN  43          3HG       GLN  43 -20.927   4.910   8.681
  348   1HE2  GLN  43          2HE2      GLN  43 -19.963   6.549   7.291
  349   2HE2  GLN  43          1HE2      GLN  43 -20.880   7.991   6.857
  350    H    VAL  44           H        VAL  44 -19.949   1.796   5.195
  351    HA   VAL  44           HA       VAL  44 -22.125   0.079   4.250
  352    HB   VAL  44           HB       VAL  44 -20.619  -0.446   2.371
  353   1HG1  VAL  44          1HG1      VAL  44 -22.154   1.489   2.293
  354   2HG1  VAL  44          2HG1      VAL  44 -20.868   2.541   2.929
  355   3HG1  VAL  44          3HG1      VAL  44 -20.681   1.760   1.346
  356   1HG2  VAL  44          1HG2      VAL  44 -18.419  -0.236   3.505
  357   2HG2  VAL  44          2HG2      VAL  44 -18.525   0.765   2.047
  358   3HG2  VAL  44          3HG2      VAL  44 -18.674   1.516   3.637
  359    H    GLY  45           H        GLY  45 -19.888  -0.392   6.692
  360   1HA   GLY  45          1HA       GLY  45 -19.313  -2.243   7.867
  361   2HA   GLY  45          2HA       GLY  45 -20.409  -3.204   6.854
  362    H    ALA  46           H        ALA  46 -17.598  -1.257   5.706
  363    HA   ALA  46           HA       ALA  46 -16.487  -3.635   4.389
  364   1HB   ALA  46          1HB       ALA  46 -15.520  -0.745   4.497
  365   2HB   ALA  46          2HB       ALA  46 -14.807  -2.039   3.516
  366   3HB   ALA  46          3HB       ALA  46 -16.450  -1.478   3.175
  367    H    SER  47           H        SER  47 -14.614  -4.620   4.996
  368    HA   SER  47           HA       SER  47 -13.333  -3.911   7.590
  369   1HB   SER  47          2HB       SER  47 -12.905  -6.257   5.675
  370   2HB   SER  47          3HB       SER  47 -12.150  -6.053   7.268
  371    HG   SER  47           HG       SER  47 -14.000  -7.417   7.332
  372    H    TYR  48           H        TYR  48 -11.441  -2.672   7.512
  373    HA   TYR  48           HA       TYR  48  -9.887  -2.562   5.015
  374   1HB   TYR  48          2HB       TYR  48 -10.027  -0.132   4.890
  375   2HB   TYR  48          3HB       TYR  48 -11.611  -0.858   4.694
  376    HD1  TYR  48           1HD      TYR  48 -13.370  -0.603   6.414
  377    HD2  TYR  48           2HD      TYR  48  -9.537   1.324   6.785
  378    HE1  TYR  48           1HE      TYR  48 -14.304   0.879   8.178
  379    HE2  TYR  48           2HE      TYR  48 -10.450   2.791   8.565
  380    HH   TYR  48           HH       TYR  48 -12.245   3.248   9.943
  381    H    LYS  49           H        LYS  49  -7.815  -1.883   5.255
  382    HA   LYS  49           HA       LYS  49  -6.680  -1.756   7.994
  383   1HB   LYS  49          2HB       LYS  49  -5.672  -3.244   6.335
  384   2HB   LYS  49          3HB       LYS  49  -5.465  -1.915   5.190
  385   1HG   LYS  49          2HG       LYS  49  -3.753  -0.896   6.564
  386   2HG   LYS  49          3HG       LYS  49  -4.094  -2.010   7.909
  387   1HD   LYS  49          2HD       LYS  49  -3.392  -3.919   6.535
  388   2HD   LYS  49          3HD       LYS  49  -3.066  -2.853   5.158
  389   1HE   LYS  49          2HE       LYS  49  -1.182  -1.862   6.197
  390   2HE   LYS  49          3HE       LYS  49  -1.685  -2.377   7.818
  391   1HZ   LYS  49          1HZ       LYS  49   0.150  -3.720   6.926
  392   2HZ   LYS  49          2HZ       LYS  49  -1.161  -4.639   7.230
  393   3HZ   LYS  49          3HZ       LYS  49  -0.811  -4.228   5.685
  394    H    VAL  50           H        VAL  50  -5.301   0.049   8.557
  395    HA   VAL  50           HA       VAL  50  -5.806   2.574   7.072
  396    HB   VAL  50           HB       VAL  50  -5.874   2.205  10.100
  397   1HG1  VAL  50          1HG1      VAL  50  -5.125   4.468   9.229
  398   2HG1  VAL  50          2HG1      VAL  50  -6.679   4.616   8.400
  399   3HG1  VAL  50          3HG1      VAL  50  -6.610   4.522  10.177
  400   1HG2  VAL  50          1HG2      VAL  50  -7.931   1.222   9.196
  401   2HG2  VAL  50          2HG2      VAL  50  -8.299   2.775   9.940
  402   3HG2  VAL  50          3HG2      VAL  50  -8.178   2.655   8.169
  403    H    VAL  51           H        VAL  51  -3.967   3.830   6.936
  404    HA   VAL  51           HA       VAL  51  -1.459   2.805   8.169
  405    HB   VAL  51           HB       VAL  51  -1.813   3.529   5.233
  406   1HG1  VAL  51          1HG1      VAL  51   0.405   2.611   4.978
  407   2HG1  VAL  51          2HG1      VAL  51   0.458   3.840   6.238
  408   3HG1  VAL  51          3HG1      VAL  51   0.467   2.123   6.690
  409   1HG2  VAL  51          1HG2      VAL  51  -3.027   1.447   5.548
  410   2HG2  VAL  51          2HG2      VAL  51  -1.500   1.121   4.736
  411   3HG2  VAL  51          3HG2      VAL  51  -1.671   0.755   6.471
  412    H    GLU  52           H        GLU  52  -1.683   4.519   9.654
  413    HA   GLU  52           HA       GLU  52  -2.217   7.210   8.722
  414   1HB   GLU  52          2HB       GLU  52  -1.551   6.212  11.518
  415   2HB   GLU  52          3HB       GLU  52  -2.141   7.828  11.074
  416   1HG   GLU  52          2HG       GLU  52  -4.170   6.715  10.044
  417   2HG   GLU  52          3HG       GLU  52  -3.615   5.186  10.740
  418    H    LEU  53           H        LEU  53  -0.593   8.009   7.518
  419    HA   LEU  53           HA       LEU  53   2.142   7.323   7.811
  420   1HB   LEU  53          2HB       LEU  53   0.859   9.618   6.266
  421   2HB   LEU  53          3HB       LEU  53   2.496   9.012   6.033
  422    HG   LEU  53           HG       LEU  53  -0.103   7.536   5.437
  423   1HD1  LEU  53          1HD1      LEU  53   0.617   9.215   3.768
  424   2HD1  LEU  53          2HD1      LEU  53   2.189   8.388   3.634
  425   3HD1  LEU  53          3HD1      LEU  53   0.700   7.566   3.129
  426   1HD2  LEU  53          1HD2      LEU  53   2.763   6.520   5.344
  427   2HD2  LEU  53          2HD2      LEU  53   1.425   5.868   6.305
  428   3HD2  LEU  53          3HD2      LEU  53   1.396   5.709   4.550
  429    H    ASP  54           H        ASP  54   0.411   9.590   9.673
  430    HA   ASP  54           HA       ASP  54   2.695  11.341  10.243
  431   1HB   ASP  54          2HB       ASP  54   0.350  12.112  10.529
  432   2HB   ASP  54          3HB       ASP  54   0.089  10.866  11.751
  433    H    GLU  55           H        GLU  55   1.612   8.165  11.234
  434    HA   GLU  55           HA       GLU  55   3.311   8.245  13.685
  435   1HB   GLU  55          2HB       GLU  55   0.795   8.190  13.948
  436   2HB   GLU  55          3HB       GLU  55   0.792   6.634  13.123
  437   1HG   GLU  55          2HG       GLU  55   0.640   6.250  15.481
  438   2HG   GLU  55          3HG       GLU  55   2.217   5.690  14.959
  439    H    LEU  56           H        LEU  56   2.520   6.473  10.714
  440    HA   LEU  56           HA       LEU  56   3.858   4.053  11.194
  441   1HB   LEU  56          2HB       LEU  56   2.470   4.538   9.199
  442   2HB   LEU  56          3HB       LEU  56   3.676   5.697   8.637
  443    HG   LEU  56           HG       LEU  56   5.339   3.855   8.395
  444   1HD1  LEU  56          1HD1      LEU  56   2.994   2.043   9.134
  445   2HD1  LEU  56          2HD1      LEU  56   4.533   1.492   8.444
  446   3HD1  LEU  56          3HD1      LEU  56   4.505   2.221  10.049
  447   1HD2  LEU  56          1HD2      LEU  56   2.720   3.348   6.940
  448   2HD2  LEU  56          2HD2      LEU  56   3.939   4.560   6.495
  449   3HD2  LEU  56          3HD2      LEU  56   4.337   2.838   6.412
  450    H    SER  57           H        SER  57   5.995   3.423  11.207
  451    HA   SER  57           HA       SER  57   7.868   5.107  12.163
  452   1HB   SER  57          2HB       SER  57   8.515   2.550  10.664
  453   2HB   SER  57          3HB       SER  57   9.327   3.220  12.091
  454    HG   SER  57           HG       SER  57   7.903   1.519  12.644
  455    H    ASP  58           H        ASP  58   7.282   4.652   8.714
  456    HA   ASP  58           HA       ASP  58   9.501   6.542   8.130
  457   1HB   ASP  58          2HB       ASP  58  10.195   4.172   7.647
  458   2HB   ASP  58          3HB       ASP  58   8.855   4.052   6.505
  459    H    GLY  59           H        GLY  59   6.601   6.799   8.584
  460   1HA   GLY  59          1HA       GLY  59   4.968   6.642   6.365
  461   2HA   GLY  59          2HA       GLY  59   4.737   7.722   7.739
  462    H    SER  60           H        SER  60   7.019   9.489   7.299
  463    HA   SER  60           HA       SER  60   6.030  11.269   5.397
  464   1HB   SER  60          2HB       SER  60   8.941  11.038   6.240
  465   2HB   SER  60          3HB       SER  60   8.064  12.496   5.741
  466    HG   SER  60           HG       SER  60   8.272  12.337   8.023
  467    H    GLN  61           H        GLN  61   8.698   8.868   4.972
  468    HA   GLN  61           HA       GLN  61   9.106   9.663   2.191
  469   1HB   GLN  61          2HB       GLN  61  10.095   7.198   3.675
  470   2HB   GLN  61          3HB       GLN  61  10.595   7.718   2.062
  471   1HG   GLN  61          2HG       GLN  61  11.335   9.927   3.133
  472   2HG   GLN  61          3HG       GLN  61  11.115   9.143   4.700
  473   1HE2  GLN  61          2HE2      GLN  61  12.362   6.986   4.987
  474   2HE2  GLN  61          1HE2      GLN  61  13.998   6.948   4.289
  475    H    LEU  62           H        LEU  62   7.180   7.231   3.921
  476    HA   LEU  62           HA       LEU  62   6.288   5.749   1.664
  477   1HB   LEU  62          2HB       LEU  62   5.958   5.533   4.329
  478   2HB   LEU  62          3HB       LEU  62   4.475   6.392   3.979
  479    HG   LEU  62           HG       LEU  62   4.121   4.020   4.174
  480   1HD1  LEU  62          1HD1      LEU  62   2.707   5.251   2.530
  481   2HD1  LEU  62          2HD1      LEU  62   3.824   4.756   1.241
  482   3HD1  LEU  62          3HD1      LEU  62   2.903   3.536   2.135
  483   1HD2  LEU  62          1HD2      LEU  62   5.988   3.605   1.818
  484   2HD2  LEU  62          2HD2      LEU  62   6.374   3.251   3.515
  485   3HD2  LEU  62          3HD2      LEU  62   5.084   2.361   2.689
  486    H    GLN  63           H        GLN  63   5.060   8.804   3.136
  487    HA   GLN  63           HA       GLN  63   2.934   9.189   1.300
  488   1HB   GLN  63          2HB       GLN  63   3.424  10.417   3.544
  489   2HB   GLN  63          3HB       GLN  63   4.514  11.440   2.597
  490   1HG   GLN  63          2HG       GLN  63   2.526  11.829   1.018
  491   2HG   GLN  63          3HG       GLN  63   1.511  11.072   2.241
  492   1HE2  GLN  63          2HE2      GLN  63   1.260  13.706   1.247
  493   2HE2  GLN  63          1HE2      GLN  63   1.616  14.876   2.516
  494    H    SER  64           H        SER  64   6.385  10.340   1.213
  495    HA   SER  64           HA       SER  64   6.211  11.677  -1.264
  496   1HB   SER  64          2HB       SER  64   8.586  10.103  -0.185
  497   2HB   SER  64          3HB       SER  64   8.627  11.395  -1.396
  498    HG   SER  64           HG       SER  64   9.140  12.206   0.661
  499    H    ALA  65           H        ALA  65   6.784   8.179  -0.596
  500    HA   ALA  65           HA       ALA  65   7.167   7.424  -3.311
  501   1HB   ALA  65          1HB       ALA  65   7.776   5.983  -1.419
  502   2HB   ALA  65          2HB       ALA  65   6.046   5.775  -1.016
  503   3HB   ALA  65          3HB       ALA  65   6.691   5.178  -2.557
  504    H    LEU  66           H        LEU  66   4.169   7.621  -1.306
  505    HA   LEU  66           HA       LEU  66   2.364   6.742  -3.294
  506   1HB   LEU  66          2HB       LEU  66   2.170   8.328  -0.787
  507   2HB   LEU  66          3HB       LEU  66   0.983   8.800  -1.977
  508    HG   LEU  66           HG       LEU  66   0.053   7.186  -0.475
  509   1HD1  LEU  66          1HD1      LEU  66  -0.915   5.635  -2.016
  510   2HD1  LEU  66          2HD1      LEU  66  -0.663   7.165  -2.879
  511   3HD1  LEU  66          3HD1      LEU  66   0.423   5.796  -3.161
  512   1HD2  LEU  66          1HD2      LEU  66   2.206   5.244  -1.400
  513   2HD2  LEU  66          2HD2      LEU  66   2.089   6.018   0.190
  514   3HD2  LEU  66          3HD2      LEU  66   0.839   4.872  -0.320
  515    H    ALA  67           H        ALA  67   3.491  10.133  -2.658
  516    HA   ALA  67           HA       ALA  67   2.102  11.250  -4.837
  517   1HB   ALA  67          1HB       ALA  67   3.355  12.521  -2.989
  518   2HB   ALA  67          2HB       ALA  67   4.862  12.129  -3.822
  519   3HB   ALA  67          3HB       ALA  67   3.649  13.139  -4.628
  520    H    HIS  68           H        HIS  68   5.408   9.843  -4.789
  521    HA   HIS  68           HA       HIS  68   6.052  10.285  -7.514
  522   1HB   HIS  68          2HB       HIS  68   7.847   9.643  -6.220
  523   2HB   HIS  68          3HB       HIS  68   6.927   8.475  -5.295
  524    HD1  HIS  68           1HD      HIS  68   9.074   8.614  -8.439
  525    HD2  HIS  68           2HD      HIS  68   6.589   6.004  -6.253
  526    HE1  HIS  68           1HE      HIS  68   9.540   6.273  -9.325
  527    H    TRP  69           H        TRP  69   4.218   7.640  -5.957
  528    HA   TRP  69           HA       TRP  69   4.190   5.938  -8.227
  529   1HB   TRP  69          2HB       TRP  69   4.022   5.273  -5.856
  530   2HB   TRP  69          3HB       TRP  69   2.449   6.024  -5.735
  531    HD1  TRP  69           HD1      TRP  69   2.776   3.978  -8.882
  532    HE1  TRP  69           HE1      TRP  69   1.509   1.810  -8.639
  533    HE3  TRP  69           HE3      TRP  69   2.024   4.074  -3.820
  534    HZ2  TRP  69           HZ2      TRP  69   0.167   0.320  -6.518
  535    HZ3  TRP  69           HZ3      TRP  69   0.739   2.255  -2.713
  536    HH2  TRP  69           HH2      TRP  69  -0.199   0.391  -4.057
  537    H    THR  70           H        THR  70   1.600   8.100  -6.852
  538    HA   THR  70           HA       THR  70   0.089   7.691  -9.410
  539    HB   THR  70           HB       THR  70  -1.903   7.581  -8.061
  540    HG1  THR  70           1HG      THR  70  -1.836   7.729  -5.884
  541   1HG2  THR  70          1HG2      THR  70  -0.548   5.435  -8.253
  542   2HG2  THR  70          2HG2      THR  70   0.090   5.788  -6.625
  543   3HG2  THR  70          3HG2      THR  70  -1.644   5.518  -6.858
  544    H    GLY  71           H        GLY  71   1.531  10.122  -7.486
  545   1HA   GLY  71          1HA       GLY  71   1.372  12.424  -7.681
  546   2HA   GLY  71          2HA       GLY  71  -0.065  12.265  -8.697
  547    H    ARG  72           H        ARG  72  -0.984  10.262  -6.293
  548    HA   ARG  72           HA       ARG  72  -2.366  12.446  -4.815
  549   1HB   ARG  72          2HB       ARG  72  -2.907   9.471  -4.978
  550   2HB   ARG  72          3HB       ARG  72  -3.717  10.574  -3.857
  551   1HG   ARG  72          2HG       ARG  72  -4.512  11.923  -5.832
  552   2HG   ARG  72          3HG       ARG  72  -3.858  10.651  -6.892
  553   1HD   ARG  72          2HD       ARG  72  -5.267   8.978  -5.651
  554   2HD   ARG  72          3HD       ARG  72  -5.963  10.279  -4.702
  555    HE   ARG  72           HE       ARG  72  -6.390   9.681  -7.577
  556   1HH1  ARG  72          1HH2      ARG  72  -7.155  11.909  -4.916
  557   2HH1  ARG  72          2HH2      ARG  72  -8.664  12.406  -5.589
  558   1HH2  ARG  72          1HH1      ARG  72  -8.404  10.341  -8.457
  559   2HH2  ARG  72          2HH1      ARG  72  -9.408  11.451  -7.605
  560    H    GLY  73           H        GLY  73  -0.094  12.894  -4.078
  561   1HA   GLY  73          1HA       GLY  73   0.956  11.320  -1.847
  562   2HA   GLY  73          2HA       GLY  73   1.380  12.985  -2.310
  563    H    THR  74           H        THR  74  -1.778  13.417  -2.305
  564    HA   THR  74           HA       THR  74  -2.053  14.589   0.276
  565    HB   THR  74           HB       THR  74  -4.535  14.547  -0.654
  566    HG1  THR  74           1HG      THR  74  -4.672  14.139  -2.826
  567   1HG2  THR  74          1HG2      THR  74  -3.076  16.547  -0.659
  568   2HG2  THR  74          2HG2      THR  74  -2.307  15.998  -2.164
  569   3HG2  THR  74          3HG2      THR  74  -4.028  16.446  -2.148
  570    H    VAL  75           H        VAL  75  -3.835  13.961   1.792
  571    HA   VAL  75           HA       VAL  75  -4.383  11.067   1.883
  572    HB   VAL  75           HB       VAL  75  -4.200  11.284   4.410
  573   1HG1  VAL  75          1HG1      VAL  75  -1.809  10.792   4.429
  574   2HG1  VAL  75          2HG1      VAL  75  -2.576  10.036   3.028
  575   3HG1  VAL  75          3HG1      VAL  75  -1.615  11.514   2.816
  576   1HG2  VAL  75          1HG2      VAL  75  -2.776  12.967   5.374
  577   2HG2  VAL  75          2HG2      VAL  75  -2.435  13.695   3.796
  578   3HG2  VAL  75          3HG2      VAL  75  -4.063  13.792   4.508
  579    HA   PRO  76           HA       PRO  76  -5.703   9.792   3.321
  580   1HB   PRO  76          2HB       PRO  76  -8.097   8.532   2.971
  581   2HB   PRO  76          3HB       PRO  76  -7.675   9.371   4.490
  582   1HG   PRO  76          2HG       PRO  76  -9.299  10.425   2.157
  583   2HG   PRO  76          3HG       PRO  76  -9.694  10.491   3.901
  584   1HD   PRO  76          2HD       PRO  76  -8.554  12.595   2.542
  585   2HD   PRO  76          3HD       PRO  76  -8.185  12.268   4.260
  586    H    ASN  77           H        ASN  77  -5.703   7.919   1.820
  587    HA   ASN  77           HA       ASN  77  -6.709   8.367  -0.922
  588   1HB   ASN  77          2HB       ASN  77  -4.330   9.162  -0.890
  589   2HB   ASN  77          3HB       ASN  77  -3.830   7.568  -0.315
  590   1HD2  ASN  77          2HD2      ASN  77  -2.591   8.276  -2.555
  591   2HD2  ASN  77          1HD2      ASN  77  -3.289   7.459  -3.944
  592    H    VAL  78           H        VAL  78  -7.779   6.545  -1.470
  593    HA   VAL  78           HA       VAL  78  -7.540   4.230   0.378
  594    HB   VAL  78           HB       VAL  78  -9.918   5.145  -1.293
  595   1HG1  VAL  78          1HG1      VAL  78 -11.200   3.618   0.242
  596   2HG1  VAL  78          2HG1      VAL  78 -10.055   2.753  -0.782
  597   3HG1  VAL  78          3HG1      VAL  78  -9.662   3.056   0.923
  598   1HG2  VAL  78          1HG2      VAL  78  -9.302   5.571   1.660
  599   2HG2  VAL  78          2HG2      VAL  78  -9.507   6.837   0.427
  600   3HG2  VAL  78          3HG2      VAL  78 -10.888   5.861   0.913
  601    H    PHE  79           H        PHE  79  -7.388   2.195  -0.410
  602    HA   PHE  79           HA       PHE  79  -7.233   1.733  -3.342
  603   1HB   PHE  79          2HB       PHE  79  -5.336   0.800  -1.139
  604   2HB   PHE  79          3HB       PHE  79  -5.455   0.000  -2.692
  605    HD1  PHE  79           1HD      PHE  79  -3.880   0.542  -4.314
  606    HD2  PHE  79           2HD      PHE  79  -4.868   3.492  -1.324
  607    HE1  PHE  79           1HE      PHE  79  -2.181   2.076  -5.253
  608    HE2  PHE  79           2HE      PHE  79  -3.179   5.017  -2.279
  609    HZ   PHE  79           HZ       PHE  79  -1.821   4.316  -4.241
  610    H    ILE  80           H        ILE  80  -7.989  -0.336  -3.933
  611    HA   ILE  80           HA       ILE  80  -9.075  -2.095  -1.818
  612    HB   ILE  80           HB       ILE  80 -10.603  -1.214  -4.300
  613   1HG1  ILE  80          2HG1      ILE  80 -11.305  -0.851  -1.353
  614   2HG1  ILE  80          3HG1      ILE  80 -10.712   0.427  -2.397
  615   1HG2  ILE  80          1HG2      ILE  80 -10.902  -3.626  -3.842
  616   2HG2  ILE  80          2HG2      ILE  80 -11.428  -3.246  -2.188
  617   3HG2  ILE  80          3HG2      ILE  80 -12.387  -2.738  -3.593
  618   1HD1  ILE  80          1HD1      ILE  80 -13.079   0.682  -2.185
  619   2HD1  ILE  80          2HD1      ILE  80 -12.741   0.155  -3.845
  620   3HD1  ILE  80          3HD1      ILE  80 -13.387  -0.992  -2.654
  621    H    GLY  81           H        GLY  81  -8.488  -4.175  -2.261
  622   1HA   GLY  81          1HA       GLY  81  -7.318  -5.898  -3.202
  623   2HA   GLY  81          2HA       GLY  81  -8.200  -5.463  -4.674
  624    H    GLY  82           H        GLY  82  -5.670  -3.446  -3.079
  625   1HA   GLY  82          1HA       GLY  82  -3.533  -2.928  -3.721
  626   2HA   GLY  82          2HA       GLY  82  -3.565  -4.254  -4.879
  627    H    LYS  83           H        LYS  83  -6.217  -2.030  -5.361
  628    HA   LYS  83           HA       LYS  83  -4.684  -0.576  -7.481
  629   1HB   LYS  83          2HB       LYS  83  -6.281  -2.273  -8.338
  630   2HB   LYS  83          3HB       LYS  83  -7.598  -1.484  -7.458
  631   1HG   LYS  83          2HG       LYS  83  -7.264   0.582  -8.780
  632   2HG   LYS  83          3HG       LYS  83  -5.921  -0.171  -9.651
  633   1HD   LYS  83          2HD       LYS  83  -8.817  -1.140  -9.674
  634   2HD   LYS  83          3HD       LYS  83  -8.064  -0.131 -10.919
  635   1HE   LYS  83          2HE       LYS  83  -6.393  -1.931 -11.362
  636   2HE   LYS  83          3HE       LYS  83  -7.191  -2.957 -10.162
  637   1HZ   LYS  83          1HZ       LYS  83  -8.450  -1.953 -12.649
  638   2HZ   LYS  83          2HZ       LYS  83  -7.930  -3.474 -12.395
  639   3HZ   LYS  83          3HZ       LYS  83  -9.190  -2.898 -11.538
  640    H    GLN  84           H        GLN  84  -4.844   1.647  -7.412
  641    HA   GLN  84           HA       GLN  84  -5.849   2.908  -5.036
  642   1HB   GLN  84          2HB       GLN  84  -3.940   3.737  -6.539
  643   2HB   GLN  84          3HB       GLN  84  -5.174   4.237  -7.699
  644   1HG   GLN  84          2HG       GLN  84  -6.203   5.668  -5.866
  645   2HG   GLN  84          3HG       GLN  84  -4.868   5.180  -4.814
  646   1HE2  GLN  84          2HE2      GLN  84  -5.345   6.587  -8.142
  647   2HE2  GLN  84          1HE2      GLN  84  -4.065   7.757  -7.959
  648    H    ILE  85           H        ILE  85  -7.790   3.955  -4.680
  649    HA   ILE  85           HA       ILE  85  -9.818   3.930  -6.873
  650    HB   ILE  85           HB       ILE  85 -10.202   4.336  -3.873
  651   1HG1  ILE  85          2HG1      ILE  85  -9.580   2.032  -4.196
  652   2HG1  ILE  85          3HG1      ILE  85 -11.301   2.141  -3.880
  653   1HG2  ILE  85          1HG2      ILE  85 -12.158   4.139  -6.195
  654   2HG2  ILE  85          2HG2      ILE  85 -12.634   3.985  -4.490
  655   3HG2  ILE  85          3HG2      ILE  85 -11.931   5.498  -5.079
  656   1HD1  ILE  85          1HD1      ILE  85 -10.858   0.484  -5.617
  657   2HD1  ILE  85          2HD1      ILE  85 -11.766   1.827  -6.320
  658   3HD1  ILE  85          3HD1      ILE  85 -10.016   1.668  -6.612
  659    H    GLY  86           H        GLY  86  -8.650   6.033  -4.128
  660   1HA   GLY  86          1HA       GLY  86  -7.807   8.246  -5.385
  661   2HA   GLY  86          2HA       GLY  86  -9.559   8.414  -5.567
  662    H    GLY  87           H        GLY  87  -9.387  10.310  -4.243
  663   1HA   GLY  87          1HA       GLY  87  -8.504  10.052  -1.434
  664   2HA   GLY  87          2HA       GLY  87  -8.983  11.532  -2.275
  665    H    CYS  88           H        CYS  88 -10.124  11.650  -0.078
  666    HA   CYS  88           HA       CYS  88 -12.327  10.082   0.642
  667   1HB   CYS  88          2HB       CYS  88 -11.280  11.834   2.078
  668   2HB   CYS  88          3HB       CYS  88 -11.966  13.092   1.029
  669    HG   CYS  88           HG       CYS  88 -13.547  10.758   2.784
  670    H    ASP  89           H        ASP  89 -12.283  13.010  -1.470
  671    HA   ASP  89           HA       ASP  89 -15.066  13.093  -1.941
  672   1HB   ASP  89          2HB       ASP  89 -13.575  14.941  -2.520
  673   2HB   ASP  89          3HB       ASP  89 -12.745  13.942  -3.717
  674    H    THR  90           H        THR  90 -12.511  11.181  -3.607
  675    HA   THR  90           HA       THR  90 -14.170  10.299  -5.735
  676    HB   THR  90           HB       THR  90 -11.853   8.728  -4.558
  677    HG1  THR  90           1HG      THR  90 -11.735  11.117  -6.076
  678   1HG2  THR  90          1HG2      THR  90 -12.925   9.163  -7.375
  679   2HG2  THR  90          2HG2      THR  90 -11.400   8.332  -7.006
  680   3HG2  THR  90          3HG2      THR  90 -12.936   7.659  -6.430
  681    H    VAL  91           H        VAL  91 -13.387   8.768  -2.507
  682    HA   VAL  91           HA       VAL  91 -15.092   6.518  -3.154
  683    HB   VAL  91           HB       VAL  91 -14.872   5.889  -0.769
  684   1HG1  VAL  91          1HG1      VAL  91 -12.520   5.265  -0.954
  685   2HG1  VAL  91          2HG1      VAL  91 -13.321   5.101  -2.517
  686   3HG1  VAL  91          3HG1      VAL  91 -12.250   6.490  -2.213
  687   1HG2  VAL  91          1HG2      VAL  91 -13.292   6.966   0.694
  688   2HG2  VAL  91          2HG2      VAL  91 -12.916   8.202  -0.516
  689   3HG2  VAL  91          3HG2      VAL  91 -14.520   8.157   0.247
  690    H    VAL  92           H        VAL  92 -15.721   9.648  -1.479
  691    HA   VAL  92           HA       VAL  92 -18.344   8.893  -0.605
  692    HB   VAL  92           HB       VAL  92 -17.042  11.577  -1.223
  693   1HG1  VAL  92          1HG1      VAL  92 -19.447  11.926  -1.533
  694   2HG1  VAL  92          2HG1      VAL  92 -19.800  11.078  -0.011
  695   3HG1  VAL  92          3HG1      VAL  92 -18.940  12.635   0.001
  696   1HG2  VAL  92          1HG2      VAL  92 -16.997  11.818   1.214
  697   2HG2  VAL  92          2HG2      VAL  92 -17.869  10.284   1.423
  698   3HG2  VAL  92          3HG2      VAL  92 -16.216  10.296   0.788
  699    H    GLU  93           H        GLU  93 -17.153  10.391  -3.706
  700    HA   GLU  93           HA       GLU  93 -19.700  10.667  -4.902
  701   1HB   GLU  93          2HB       GLU  93 -17.541  11.653  -5.730
  702   2HB   GLU  93          3HB       GLU  93 -17.017  10.040  -6.213
  703   1HG   GLU  93          2HG       GLU  93 -19.462  10.219  -7.508
  704   2HG   GLU  93          3HG       GLU  93 -18.975  11.904  -7.486
  705    H    LYS  94           H        LYS  94 -17.340   7.926  -5.102
  706    HA   LYS  94           HA       LYS  94 -19.052   6.291  -6.723
  707   1HB   LYS  94          2HB       LYS  94 -16.731   5.588  -4.881
  708   2HB   LYS  94          3HB       LYS  94 -17.522   4.437  -5.974
  709   1HG   LYS  94          2HG       LYS  94 -16.882   5.735  -7.931
  710   2HG   LYS  94          3HG       LYS  94 -16.256   7.038  -6.936
  711   1HD   LYS  94          2HD       LYS  94 -14.337   5.874  -7.643
  712   2HD   LYS  94          3HD       LYS  94 -14.581   5.420  -5.964
  713   1HE   LYS  94          2HE       LYS  94 -14.023   3.405  -7.042
  714   2HE   LYS  94          3HE       LYS  94 -15.773   3.305  -6.837
  715   1HZ   LYS  94          1HZ       LYS  94 -16.006   3.969  -9.188
  716   2HZ   LYS  94          2HZ       LYS  94 -14.378   4.094  -9.343
  717   3HZ   LYS  94          3HZ       LYS  94 -15.061   2.644  -9.066
  718    H    HIS  95           H        HIS  95 -18.911   6.701  -3.150
  719    HA   HIS  95           HA       HIS  95 -20.700   4.499  -2.636
  720   1HB   HIS  95          2HB       HIS  95 -19.339   5.444  -0.852
  721   2HB   HIS  95          3HB       HIS  95 -20.085   7.027  -1.057
  722    HD1  HIS  95           1HD      HIS  95 -21.510   3.454  -0.288
  723    HD2  HIS  95           2HD      HIS  95 -21.896   7.525   0.708
  724    HE1  HIS  95           1HE      HIS  95 -23.347   3.593   1.465
  725    H    GLN  96           H        GLN  96 -21.240   8.041  -3.144
  726    HA   GLN  96           HA       GLN  96 -24.060   7.970  -2.834
  727   1HB   GLN  96          2HB       GLN  96 -22.192   9.828  -4.354
  728   2HB   GLN  96          3HB       GLN  96 -23.930  10.120  -4.225
  729   1HG   GLN  96          2HG       GLN  96 -23.834  10.250  -1.818
  730   2HG   GLN  96          3HG       GLN  96 -22.142   9.789  -1.775
  731   1HE2  GLN  96          2HE2      GLN  96 -23.215  12.193  -0.594
  732   2HE2  GLN  96          1HE2      GLN  96 -22.496  13.550  -1.422
  733    H    ARG  97           H        ARG  97 -22.034   7.464  -5.765
  734    HA   ARG  97           HA       ARG  97 -24.373   7.042  -7.461
  735   1HB   ARG  97          2HB       ARG  97 -21.402   6.547  -7.934
  736   2HB   ARG  97          3HB       ARG  97 -22.671   6.355  -9.153
  737   1HG   ARG  97          2HG       ARG  97 -23.334   8.772  -8.743
  738   2HG   ARG  97          3HG       ARG  97 -21.862   8.951  -7.786
  739   1HD   ARG  97          2HD       ARG  97 -22.032   8.189 -10.738
  740   2HD   ARG  97          3HD       ARG  97 -21.564   9.755 -10.088
  741    HE   ARG  97           HE       ARG  97 -19.479   8.929  -9.402
  742   1HH1  ARG  97          1HH2      ARG  97 -21.295   6.331 -11.053
  743   2HH1  ARG  97          2HH2      ARG  97 -19.898   5.297 -11.154
  744   1HH2  ARG  97          1HH1      ARG  97 -17.769   7.672  -9.585
  745   2HH2  ARG  97          2HH1      ARG  97 -17.872   5.990 -10.152
  746    H    ASN  98           H        ASN  98 -23.310   5.125  -5.020
  747    HA   ASN  98           HA       ASN  98 -23.292   2.973  -4.491
  748   1HB   ASN  98          2HB       ASN  98 -25.752   3.444  -4.983
  749   2HB   ASN  98          3HB       ASN  98 -25.537   2.519  -6.469
  750   1HD2  ASN  98          2HD2      ASN  98 -24.515   0.232  -6.091
  751   2HD2  ASN  98          1HD2      ASN  98 -25.123  -0.646  -4.691
  752    H    GLU  99           H        GLU  99 -21.271   3.545  -6.076
  753    HA   GLU  99           HA       GLU  99 -20.910   1.209  -7.902
  754   1HB   GLU  99          2HB       GLU  99 -20.802   3.481  -8.917
  755   2HB   GLU  99          3HB       GLU  99 -19.479   3.895  -7.820
  756   1HG   GLU  99          2HG       GLU  99 -18.088   2.092  -8.820
  757   2HG   GLU  99          3HG       GLU  99 -19.427   1.649  -9.891
  758    H    LEU 100           H        LEU 100 -19.719   2.964  -5.052
  759    HA   LEU 100           HA       LEU 100 -17.204   1.591  -4.841
  760   1HB   LEU 100          2HB       LEU 100 -17.849   3.751  -3.643
  761   2HB   LEU 100          3HB       LEU 100 -18.890   2.792  -2.596
  762    HG   LEU 100           HG       LEU 100 -16.812   1.484  -1.900
  763   1HD1  LEU 100          1HD1      LEU 100 -14.616   2.613  -2.277
  764   2HD1  LEU 100          2HD1      LEU 100 -15.306   1.978  -3.770
  765   3HD1  LEU 100          3HD1      LEU 100 -15.397   3.721  -3.422
  766   1HD2  LEU 100          1HD2      LEU 100 -16.843   4.483  -1.377
  767   2HD2  LEU 100          2HD2      LEU 100 -17.764   3.250  -0.491
  768   3HD2  LEU 100          3HD2      LEU 100 -15.999   3.267  -0.392
  769    H    LEU 101           H        LEU 101 -20.468   0.969  -3.452
  770    HA   LEU 101           HA       LEU 101 -19.613  -1.179  -1.833
  771   1HB   LEU 101          2HB       LEU 101 -22.072   0.167  -2.308
  772   2HB   LEU 101          3HB       LEU 101 -22.394  -1.543  -2.590
  773    HG   LEU 101           HG       LEU 101 -21.029  -0.432  -0.103
  774   1HD1  LEU 101          1HD1      LEU 101 -23.358   0.334  -0.274
  775   2HD1  LEU 101          2HD1      LEU 101 -23.910  -1.339  -0.507
  776   3HD1  LEU 101          3HD1      LEU 101 -23.175  -0.843   1.036
  777   1HD2  LEU 101          1HD2      LEU 101 -22.133  -3.213  -0.692
  778   2HD2  LEU 101          2HD2      LEU 101 -20.422  -2.795  -0.493
  779   3HD2  LEU 101          3HD2      LEU 101 -21.520  -2.662   0.882
  780    HA   PRO 102           HA       PRO 102 -20.922  -4.162  -5.519
  781   1HB   PRO 102          2HB       PRO 102 -19.974  -2.241  -7.661
  782   2HB   PRO 102          3HB       PRO 102 -21.135  -3.593  -7.805
  783   1HG   PRO 102          2HG       PRO 102 -21.974  -1.017  -7.579
  784   2HG   PRO 102          3HG       PRO 102 -22.847  -2.327  -6.741
  785   1HD   PRO 102          2HD       PRO 102 -20.980  -0.299  -5.598
  786   2HD   PRO 102          3HD       PRO 102 -22.384  -1.091  -4.849
  787    H    LEU 103           H        LEU 103 -18.218  -1.768  -5.926
  788    HA   LEU 103           HA       LEU 103 -16.323  -3.757  -6.731
  789   1HB   LEU 103          2HB       LEU 103 -16.079  -1.377  -7.272
  790   2HB   LEU 103          3HB       LEU 103 -15.930  -0.974  -5.559
  791    HG   LEU 103           HG       LEU 103 -13.806  -2.191  -5.400
  792   1HD1  LEU 103          1HD1      LEU 103 -14.093  -3.990  -7.050
  793   2HD1  LEU 103          2HD1      LEU 103 -14.166  -2.801  -8.371
  794   3HD1  LEU 103          3HD1      LEU 103 -12.665  -3.041  -7.448
  795   1HD2  LEU 103          1HD2      LEU 103 -13.888  -0.295  -7.783
  796   2HD2  LEU 103          2HD2      LEU 103 -13.786   0.174  -6.071
  797   3HD2  LEU 103          3HD2      LEU 103 -12.454  -0.719  -6.828
  798    H    LEU 104           H        LEU 104 -17.139  -2.335  -3.533
  799    HA   LEU 104           HA       LEU 104 -15.066  -3.643  -2.058
  800   1HB   LEU 104          2HB       LEU 104 -17.830  -2.619  -1.305
  801   2HB   LEU 104          3HB       LEU 104 -16.763  -3.370  -0.139
  802    HG   LEU 104           HG       LEU 104 -15.890  -0.943  -1.750
  803   1HD1  LEU 104          1HD1      LEU 104 -16.459   0.395   0.266
  804   2HD1  LEU 104          2HD1      LEU 104 -17.897  -0.325  -0.476
  805   3HD1  LEU 104          3HD1      LEU 104 -17.209  -1.038   0.996
  806   1HD2  LEU 104          1HD2      LEU 104 -14.076  -2.259  -0.671
  807   2HD2  LEU 104          2HD2      LEU 104 -14.266  -0.669   0.074
  808   3HD2  LEU 104          3HD2      LEU 104 -14.913  -2.109   0.889
  809    H    GLN 105           H        GLN 105 -18.438  -4.655  -2.837
  810    HA   GLN 105           HA       GLN 105 -18.330  -7.121  -1.428
  811   1HB   GLN 105          2HB       GLN 105 -19.937  -6.240  -3.867
  812   2HB   GLN 105          3HB       GLN 105 -20.144  -7.785  -3.040
  813   1HG   GLN 105          2HG       GLN 105 -20.757  -6.680  -0.968
  814   2HG   GLN 105          3HG       GLN 105 -20.471  -5.090  -1.690
  815   1HE2  GLN 105          1HE2      GLN 105 -22.257  -8.097  -2.530
  816   2HE2  GLN 105          2HE2      GLN 105 -23.664  -7.327  -3.173
  817    H    ASP 106           H        ASP 106 -17.496  -6.312  -4.796
  818    HA   ASP 106           HA       ASP 106 -16.792  -8.950  -5.633
  819   1HB   ASP 106          2HB       ASP 106 -17.240  -7.151  -7.184
  820   2HB   ASP 106          3HB       ASP 106 -15.885  -6.212  -6.564
  821    H    ALA 107           H        ALA 107 -14.897  -6.383  -4.020
  822    HA   ALA 107           HA       ALA 107 -12.431  -7.908  -3.936
  823   1HB   ALA 107          1HB       ALA 107 -13.319  -5.462  -2.343
  824   2HB   ALA 107          2HB       ALA 107 -11.659  -6.064  -2.515
  825   3HB   ALA 107          3HB       ALA 107 -12.519  -5.430  -3.932
  826    H    ALA 108           H        ALA 108 -15.275  -8.592  -2.459
  827    HA   ALA 108           HA       ALA 108 -16.007  -9.661  -0.679
  828   1HB   ALA 108          1HB       ALA 108 -13.184 -10.765  -0.425
  829   2HB   ALA 108          2HB       ALA 108 -14.654 -11.463   0.272
  830   3HB   ALA 108          3HB       ALA 108 -14.463 -11.401  -1.487
  831    H    ALA 109           H        ALA 109 -14.996  -6.931  -0.281
  832    HA   ALA 109           HA       ALA 109 -13.725  -6.855   2.346
  833   1HB   ALA 109          1HB       ALA 109 -13.799  -4.436   1.986
  834   2HB   ALA 109          2HB       ALA 109 -13.170  -5.250   0.530
  835   3HB   ALA 109          3HB       ALA 109 -14.842  -4.646   0.570
  836    H    THR 110           H        THR 110 -17.058  -6.699   1.154
  837    HA   THR 110           HA       THR 110 -17.973  -5.553   3.746
  838    HB   THR 110           HB       THR 110 -19.967  -4.884   2.173
  839    HG1  THR 110           1HG      THR 110 -19.242  -6.002   0.357
  840   1HG2  THR 110          1HG2      THR 110 -18.772  -2.811   1.467
  841   2HG2  THR 110          2HG2      THR 110 -18.587  -3.199   3.178
  842   3HG2  THR 110          3HG2      THR 110 -17.251  -3.532   2.055
  843    H    ALA 111           H        ALA 111 -19.262  -6.742   4.949
  844    HA   ALA 111           HA       ALA 111 -19.784  -9.445   4.356
  845   1HB   ALA 111          1HB       ALA 111 -19.437  -8.519   6.620
  846   2HB   ALA 111          2HB       ALA 111 -20.993  -7.657   6.510
  847   3HB   ALA 111          3HB       ALA 111 -20.952  -9.433   6.523
  848    H    LYS 112           H        LYS 112 -21.566  -6.801   3.155
  849    HA   LYS 112           HA       LYS 112 -24.246  -7.644   3.250
  850   1HB   LYS 112          2HB       LYS 112 -23.501  -5.462   2.400
  851   2HB   LYS 112          3HB       LYS 112 -22.725  -6.233   1.008
  852   1HG   LYS 112          2HG       LYS 112 -24.898  -6.987   0.161
  853   2HG   LYS 112          3HG       LYS 112 -25.710  -6.371   1.617
  854   1HD   LYS 112          2HD       LYS 112 -25.082  -4.059   1.021
  855   2HD   LYS 112          3HD       LYS 112 -24.131  -4.648  -0.342
  856   1HE   LYS 112          2HE       LYS 112 -26.194  -3.810  -1.216
  857   2HE   LYS 112          3HE       LYS 112 -26.186  -5.565  -1.401
  858   1HZ   LYS 112          1HZ       LYS 112 -27.647  -5.705   0.541
  859   2HZ   LYS 112          2HZ       LYS 112 -27.620  -4.079   0.733
  860   3HZ   LYS 112          3HZ       LYS 112 -28.310  -4.737  -0.585
  861    H    ASN 113           H        ASN 113 -21.693  -8.508   0.935
  862    HA   ASN 113           HA       ASN 113 -22.418 -11.228   0.822
  863   1HB   ASN 113          2HB       ASN 113 -24.238 -10.620  -0.711
  864   2HB   ASN 113          3HB       ASN 113 -23.120  -9.712  -1.722
  865   1HD2  ASN 113          2HD2      ASN 113 -22.512 -10.867  -3.537
  866   2HD2  ASN 113          1HD2      ASN 113 -22.392 -12.622  -3.603
  867    HA   PRO 114           HA       PRO 114 -18.213  -9.690  -0.114
  868   1HB   PRO 114          2HB       PRO 114 -16.722 -11.319   1.496
  869   2HB   PRO 114          3HB       PRO 114 -17.733  -9.999   2.134
  870   1HG   PRO 114          2HG       PRO 114 -18.457 -12.940   1.918
  871   2HG   PRO 114          3HG       PRO 114 -18.595 -11.867   3.350
  872   1HD   PRO 114          2HD       PRO 114 -20.701 -12.366   1.680
  873   2HD   PRO 114          3HD       PRO 114 -20.478 -10.775   2.466
  874    H    ALA 115           H        ALA 115 -19.110 -10.726  -2.238
  875    HA   ALA 115           HA       ALA 115 -17.006 -12.453  -3.248
  876   1HB   ALA 115          1HB       ALA 115 -19.905 -13.426  -3.397
  877   2HB   ALA 115          2HB       ALA 115 -18.525 -14.138  -4.258
  878   3HB   ALA 115          3HB       ALA 115 -18.586 -14.199  -2.488
  879    H    GLN 116           H        GLN 116 -20.157 -10.816  -3.858
  880    HA   GLN 116           HA       GLN 116 -19.131  -9.310  -6.071
  881   1HB   GLN 116          2HB       GLN 116 -20.709 -10.146  -7.768
  882   2HB   GLN 116          3HB       GLN 116 -19.542 -11.384  -7.347
  883   1HG   GLN 116          2HG       GLN 116 -21.129 -12.727  -6.259
  884   2HG   GLN 116          3HG       GLN 116 -22.219 -11.386  -5.923
  885   1HE2  GLN 116          2HE2      GLN 116 -23.637 -10.557  -7.547
  886   2HE2  GLN 116          1HE2      GLN 116 -23.965 -11.489  -9.003
  887    H    LEU 117           H        LEU 117 -21.023  -7.982  -6.990
  888    HA   LEU 117           HA       LEU 117 -22.606  -6.690  -5.070
  889   1HB   LEU 117          2HB       LEU 117 -22.167  -5.758  -7.280
  890   2HB   LEU 117          3HB       LEU 117 -23.073  -7.075  -8.042
  891    HG   LEU 117           HG       LEU 117 -25.166  -6.310  -7.041
  892   1HD1  LEU 117          1HD1      LEU 117 -25.212  -4.076  -5.835
  893   2HD1  LEU 117          2HD1      LEU 117 -24.508  -5.396  -4.908
  894   3HD1  LEU 117          3HD1      LEU 117 -23.447  -4.204  -5.662
  895   1HD2  LEU 117          1HD2      LEU 117 -23.620  -4.031  -8.344
  896   2HD2  LEU 117          2HD2      LEU 117 -24.450  -5.355  -9.188
  897   3HD2  LEU 117          3HD2      LEU 117 -25.388  -4.187  -8.250
  Start of MODEL   15
    1   1H    MET   1           H1       MET   1  20.305  15.502  -2.231
    2   2H    MET   1           H2       MET   1  20.267  14.623  -0.854
    3   3H    MET   1           H3       MET   1  21.711  15.049  -1.518
    4    HA   MET   1           HA       MET   1  21.298  13.730  -3.438
    5   1HB   MET   1          2HB       MET   1  21.583  11.531  -2.535
    6   2HB   MET   1          3HB       MET   1  22.518  12.667  -1.586
    7   1HG   MET   1          2HG       MET   1  19.830  11.493  -0.757
    8   2HG   MET   1          3HG       MET   1  21.400  10.877  -0.278
    9   1HE   MET   1          1HE       MET   1  19.109  11.464   1.788
   10   2HE   MET   1          2HE       MET   1  20.719  10.855   2.236
   11   3HE   MET   1          3HE       MET   1  20.026  12.253   3.090
   12    H    ALA   2           H        ALA   2  19.992  12.093  -4.539
   13    HA   ALA   2           HA       ALA   2  17.240  12.931  -4.587
   14   1HB   ALA   2          1HB       ALA   2  17.082  11.370  -6.486
   15   2HB   ALA   2          2HB       ALA   2  18.518  12.397  -6.619
   16   3HB   ALA   2          3HB       ALA   2  18.683  10.705  -6.090
   17    H    SER   3           H        SER   3  18.842  10.326  -2.904
   18    HA   SER   3           HA       SER   3  18.144   8.573  -1.685
   19   1HB   SER   3          2HB       SER   3  15.619  10.214  -1.295
   20   2HB   SER   3          3HB       SER   3  16.279   8.987  -0.205
   21    HG   SER   3           HG       SER   3  16.796  11.145   0.418
   22    H    LYS   4           H        LYS   4  17.568   8.251  -4.543
   23    HA   LYS   4           HA       LYS   4  14.956   7.357  -5.056
   24   1HB   LYS   4          2HB       LYS   4  17.558   6.423  -6.342
   25   2HB   LYS   4          3HB       LYS   4  15.935   6.111  -6.975
   26   1HG   LYS   4          2HG       LYS   4  15.530   8.583  -7.088
   27   2HG   LYS   4          3HG       LYS   4  17.209   8.853  -6.609
   28   1HD   LYS   4          2HD       LYS   4  16.301   7.376  -9.116
   29   2HD   LYS   4          3HD       LYS   4  16.846   9.058  -9.052
   30   1HE   LYS   4          2HE       LYS   4  19.069   8.304  -8.209
   31   2HE   LYS   4          3HE       LYS   4  18.535   6.622  -8.318
   32   1HZ   LYS   4          1HZ       LYS   4  18.277   6.927 -10.712
   33   2HZ   LYS   4          2HZ       LYS   4  18.776   8.482 -10.613
   34   3HZ   LYS   4          3HZ       LYS   4  19.803   7.269 -10.259
   35    H    GLN   5           H        GLN   5  17.673   5.488  -3.655
   36    HA   GLN   5           HA       GLN   5  16.383   2.955  -3.826
   37   1HB   GLN   5          2HB       GLN   5  18.801   3.363  -3.370
   38   2HB   GLN   5          3HB       GLN   5  18.398   3.917  -1.742
   39   1HG   GLN   5          2HG       GLN   5  17.406   1.188  -2.572
   40   2HG   GLN   5          3HG       GLN   5  19.137   1.386  -2.362
   41   1HE2  GLN   5          2HE2      GLN   5  16.005   1.621  -0.618
   42   2HE2  GLN   5          1HE2      GLN   5  16.714   1.425   0.975
   43    H    GLU   6           H        GLU   6  16.163   5.590  -1.377
   44    HA   GLU   6           HA       GLU   6  14.582   3.954   0.450
   45   1HB   GLU   6          2HB       GLU   6  15.127   6.950   0.345
   46   2HB   GLU   6          3HB       GLU   6  14.151   6.138   1.577
   47   1HG   GLU   6          2HG       GLU   6  16.127   4.684   2.131
   48   2HG   GLU   6          3HG       GLU   6  17.101   5.641   1.009
   49    H    LEU   7           H        LEU   7  13.927   6.363  -2.134
   50    HA   LEU   7           HA       LEU   7  11.123   6.520  -1.725
   51   1HB   LEU   7          2HB       LEU   7  12.482   8.038  -3.191
   52   2HB   LEU   7          3HB       LEU   7  12.697   6.706  -4.329
   53    HG   LEU   7           HG       LEU   7  10.204   6.622  -4.663
   54   1HD1  LEU   7          1HD1      LEU   7  10.255   9.150  -2.946
   55   2HD1  LEU   7          2HD1      LEU   7   8.885   8.630  -3.947
   56   3HD1  LEU   7          3HD1      LEU   7   9.401   7.635  -2.578
   57   1HD2  LEU   7          1HD2      LEU   7  10.100   8.644  -6.052
   58   2HD2  LEU   7          2HD2      LEU   7  11.517   9.316  -5.211
   59   3HD2  LEU   7          3HD2      LEU   7  11.674   7.853  -6.208
   60    H    ASP   8           H        ASP   8  13.094   4.261  -3.729
   61    HA   ASP   8           HA       ASP   8  10.859   2.764  -4.724
   62   1HB   ASP   8          2HB       ASP   8  13.043   2.731  -5.822
   63   2HB   ASP   8          3HB       ASP   8  13.797   2.039  -4.382
   64    H    ALA   9           H        ALA   9  12.984   2.314  -1.843
   65    HA   ALA   9           HA       ALA   9  11.814  -0.156  -1.041
   66   1HB   ALA   9          1HB       ALA   9  13.954   0.684  -0.134
   67   2HB   ALA   9          2HB       ALA   9  13.108   2.035   0.654
   68   3HB   ALA   9          3HB       ALA   9  12.798   0.367   1.175
   69    H    ALA  10           H        ALA  10  10.978   3.252  -0.261
   70    HA   ALA  10           HA       ALA  10   8.761   2.673   1.428
   71   1HB   ALA  10          1HB       ALA  10   9.364   5.098  -0.321
   72   2HB   ALA  10          2HB       ALA  10   8.111   5.015   0.931
   73   3HB   ALA  10          3HB       ALA  10   9.818   4.873   1.381
   74    H    LEU  11           H        LEU  11   8.995   3.043  -2.171
   75    HA   LEU  11           HA       LEU  11   6.204   2.771  -2.647
   76   1HB   LEU  11          2HB       LEU  11   7.816   3.502  -4.381
   77   2HB   LEU  11          3HB       LEU  11   8.562   1.905  -4.376
   78    HG   LEU  11           HG       LEU  11   6.449   0.879  -5.189
   79   1HD1  LEU  11          1HD1      LEU  11   5.471   3.758  -5.158
   80   2HD1  LEU  11          2HD1      LEU  11   4.683   2.464  -6.090
   81   3HD1  LEU  11          3HD1      LEU  11   4.747   2.363  -4.331
   82   1HD2  LEU  11          1HD2      LEU  11   7.483   3.203  -6.845
   83   2HD2  LEU  11          2HD2      LEU  11   8.171   1.570  -6.773
   84   3HD2  LEU  11          3HD2      LEU  11   6.561   1.819  -7.468
   85    H    LYS  12           H        LYS  12   8.772   0.219  -2.425
   86    HA   LYS  12           HA       LYS  12   6.988  -1.923  -2.882
   87   1HB   LYS  12          2HB       LYS  12   9.495  -1.990  -2.887
   88   2HB   LYS  12          3HB       LYS  12   9.482  -1.880  -1.119
   89   1HG   LYS  12          2HG       LYS  12   8.259  -4.041  -0.988
   90   2HG   LYS  12          3HG       LYS  12   8.158  -4.091  -2.755
   91   1HD   LYS  12          2HD       LYS  12   9.943  -5.541  -2.113
   92   2HD   LYS  12          3HD       LYS  12  10.665  -4.103  -2.859
   93   1HE   LYS  12          2HE       LYS  12  11.164  -3.185  -0.602
   94   2HE   LYS  12          3HE       LYS  12  10.396  -4.591   0.147
   95   1HZ   LYS  12          1HZ       LYS  12  12.795  -4.829   0.068
   96   2HZ   LYS  12          2HZ       LYS  12  12.112  -5.981  -0.857
   97   3HZ   LYS  12          3HZ       LYS  12  12.822  -4.685  -1.554
   98    H    LYS  13           H        LYS  13   7.912  -0.312   0.210
   99    HA   LYS  13           HA       LYS  13   6.270  -1.932   1.863
  100   1HB   LYS  13          2HB       LYS  13   8.046  -0.396   2.693
  101   2HB   LYS  13          3HB       LYS  13   7.086   0.992   2.201
  102   1HG   LYS  13          2HG       LYS  13   6.926   0.617   4.612
  103   2HG   LYS  13          3HG       LYS  13   5.366   0.482   3.833
  104   1HD   LYS  13          2HD       LYS  13   5.614  -1.225   5.567
  105   2HD   LYS  13          3HD       LYS  13   5.414  -1.958   3.989
  106   1HE   LYS  13          2HE       LYS  13   7.087  -3.206   5.155
  107   2HE   LYS  13          3HE       LYS  13   7.896  -2.329   3.857
  108   1HZ   LYS  13          1HZ       LYS  13   7.861  -1.521   6.715
  109   2HZ   LYS  13          2HZ       LYS  13   9.115  -2.209   5.945
  110   3HZ   LYS  13          3HZ       LYS  13   8.643  -0.710   5.526
  111    H    ALA  14           H        ALA  14   5.464   1.144   0.116
  112    HA   ALA  14           HA       ALA  14   2.817   1.337   1.041
  113   1HB   ALA  14          1HB       ALA  14   3.878   2.150  -1.702
  114   2HB   ALA  14          2HB       ALA  14   2.412   2.737  -0.902
  115   3HB   ALA  14          3HB       ALA  14   4.008   3.123  -0.220
  116    H    LYS  15           H        LYS  15   4.070  -0.417  -1.879
  117    HA   LYS  15           HA       LYS  15   1.507  -1.322  -2.748
  118   1HB   LYS  15          2HB       LYS  15   4.316  -2.433  -3.149
  119   2HB   LYS  15          3HB       LYS  15   2.875  -3.148  -3.890
  120   1HG   LYS  15          2HG       LYS  15   2.354  -1.090  -5.057
  121   2HG   LYS  15          3HG       LYS  15   3.715  -0.243  -4.300
  122   1HD   LYS  15          2HD       LYS  15   5.304  -1.757  -5.420
  123   2HD   LYS  15          3HD       LYS  15   3.954  -2.688  -6.110
  124   1HE   LYS  15          2HE       LYS  15   3.164  -0.631  -7.288
  125   2HE   LYS  15          3HE       LYS  15   4.554   0.256  -6.655
  126   1HZ   LYS  15          1HZ       LYS  15   4.696  -2.090  -8.468
  127   2HZ   LYS  15          2HZ       LYS  15   4.958  -0.546  -8.904
  128   3HZ   LYS  15          3HZ       LYS  15   5.995  -1.289  -7.887
  129    H    GLU  16           H        GLU  16   3.883  -2.829  -0.506
  130    HA   GLU  16           HA       GLU  16   2.413  -5.218  -0.091
  131   1HB   GLU  16          2HB       GLU  16   4.815  -4.774   0.555
  132   2HB   GLU  16          3HB       GLU  16   4.238  -3.740   1.860
  133   1HG   GLU  16          2HG       GLU  16   4.750  -5.834   2.839
  134   2HG   GLU  16          3HG       GLU  16   2.997  -5.742   2.806
  135    H    LEU  17           H        LEU  17   2.412  -2.107   1.742
  136    HA   LEU  17           HA       LEU  17   0.446  -2.812   3.650
  137   1HB   LEU  17          2HB       LEU  17   1.278  -0.155   2.435
  138   2HB   LEU  17          3HB       LEU  17   0.042  -0.253   3.682
  139    HG   LEU  17           HG       LEU  17   2.843  -1.380   4.088
  140   1HD1  LEU  17          1HD1      LEU  17   3.001   1.030   3.619
  141   2HD1  LEU  17          2HD1      LEU  17   1.751   1.363   4.833
  142   3HD1  LEU  17          3HD1      LEU  17   3.325   0.709   5.331
  143   1HD2  LEU  17          1HD2      LEU  17   1.165  -2.273   5.650
  144   2HD2  LEU  17          2HD2      LEU  17   2.273  -1.183   6.482
  145   3HD2  LEU  17          3HD2      LEU  17   0.644  -0.620   6.059
  146    H    ALA  18           H        ALA  18   0.068  -1.253   0.443
  147    HA   ALA  18           HA       ALA  18  -2.722  -0.920   0.454
  148   1HB   ALA  18          1HB       ALA  18  -2.481  -0.716  -1.985
  149   2HB   ALA  18          2HB       ALA  18  -1.175   0.154  -1.161
  150   3HB   ALA  18          3HB       ALA  18  -0.859  -1.430  -1.903
  151    H    SER  19           H        SER  19  -0.941  -3.874   0.302
  152    HA   SER  19           HA       SER  19  -3.261  -5.358  -0.837
  153   1HB   SER  19          2HB       SER  19  -0.336  -6.182  -0.772
  154   2HB   SER  19          3HB       SER  19  -1.660  -6.936  -1.678
  155    HG   SER  19           HG       SER  19  -0.333  -4.476  -2.098
  156    H    SER  20           H        SER  20  -1.882  -4.619   2.122
  157    HA   SER  20           HA       SER  20  -1.727  -7.266   3.296
  158   1HB   SER  20          2HB       SER  20  -1.768  -4.465   4.486
  159   2HB   SER  20          3HB       SER  20  -1.453  -5.947   5.405
  160    HG   SER  20           HG       SER  20   0.061  -5.193   3.108
  161    H    ALA  21           H        ALA  21  -4.399  -5.256   2.513
  162    HA   ALA  21           HA       ALA  21  -6.242  -7.034   3.910
  163   1HB   ALA  21          1HB       ALA  21  -6.235  -3.998   4.303
  164   2HB   ALA  21          2HB       ALA  21  -7.546  -5.062   4.816
  165   3HB   ALA  21          3HB       ALA  21  -5.950  -5.219   5.565
  166    HA   PRO  22           HA       PRO  22  -8.251  -6.392   0.023
  167   1HB   PRO  22          2HB       PRO  22 -10.959  -6.322   0.551
  168   2HB   PRO  22          3HB       PRO  22  -9.959  -7.802   0.607
  169   1HG   PRO  22          2HG       PRO  22 -10.744  -6.003   2.921
  170   2HG   PRO  22          3HG       PRO  22 -10.861  -7.791   2.823
  171   1HD   PRO  22          2HD       PRO  22  -8.781  -6.615   4.058
  172   2HD   PRO  22          3HD       PRO  22  -8.501  -8.034   3.013
  173    H    VAL  23           H        VAL  23  -8.816  -3.992   2.542
  174    HA   VAL  23           HA       VAL  23  -9.031  -1.893   0.485
  175    HB   VAL  23           HB       VAL  23 -10.757  -2.000   2.981
  176   1HG1  VAL  23          1HG1      VAL  23 -11.966  -0.086   1.921
  177   2HG1  VAL  23          2HG1      VAL  23 -10.291   0.294   2.328
  178   3HG1  VAL  23          3HG1      VAL  23 -10.731  -0.048   0.647
  179   1HG2  VAL  23          1HG2      VAL  23 -12.703  -2.323   1.562
  180   2HG2  VAL  23          2HG2      VAL  23 -11.651  -2.525   0.133
  181   3HG2  VAL  23          3HG2      VAL  23 -11.609  -3.688   1.473
  182    H    VAL  24           H        VAL  24  -7.819  -0.061   1.118
  183    HA   VAL  24           HA       VAL  24  -6.587  -0.076   3.812
  184    HB   VAL  24           HB       VAL  24  -4.987   0.063   1.222
  185   1HG1  VAL  24          1HG1      VAL  24  -4.109  -0.076   4.147
  186   2HG1  VAL  24          2HG1      VAL  24  -3.025  -0.146   2.743
  187   3HG1  VAL  24          3HG1      VAL  24  -3.938   1.324   3.059
  188   1HG2  VAL  24          1HG2      VAL  24  -4.049  -2.144   1.901
  189   2HG2  VAL  24          2HG2      VAL  24  -5.242  -2.243   3.196
  190   3HG2  VAL  24          3HG2      VAL  24  -5.738  -2.250   1.485
  191    H    VAL  25           H        VAL  25  -6.222   1.970   4.561
  192    HA   VAL  25           HA       VAL  25  -6.803   4.291   2.785
  193    HB   VAL  25           HB       VAL  25  -7.509   3.850   5.719
  194   1HG1  VAL  25          1HG1      VAL  25  -7.094   6.210   5.265
  195   2HG1  VAL  25          2HG1      VAL  25  -8.149   6.163   3.842
  196   3HG1  VAL  25          3HG1      VAL  25  -8.827   5.946   5.475
  197   1HG2  VAL  25          1HG2      VAL  25  -9.852   3.803   5.004
  198   2HG2  VAL  25          2HG2      VAL  25  -9.349   3.875   3.300
  199   3HG2  VAL  25          3HG2      VAL  25  -8.952   2.462   4.305
  200    H    PHE  26           H        PHE  26  -4.825   5.216   2.435
  201    HA   PHE  26           HA       PHE  26  -2.794   5.381   4.603
  202   1HB   PHE  26          2HB       PHE  26  -2.841   6.522   1.772
  203   2HB   PHE  26          3HB       PHE  26  -1.503   6.636   2.905
  204    HD1  PHE  26           1HD      PHE  26  -0.315   4.509   3.663
  205    HD2  PHE  26           2HD      PHE  26  -3.132   4.553   0.398
  206    HE1  PHE  26           1HE      PHE  26   0.592   2.350   2.848
  207    HE2  PHE  26           2HE      PHE  26  -2.221   2.393  -0.413
  208    HZ   PHE  26           HZ       PHE  26  -0.364   1.286   0.816
  209    H    SER  27           H        SER  27  -2.745   7.259   5.897
  210    HA   SER  27           HA       SER  27  -4.345   9.636   5.159
  211   1HB   SER  27          2HB       SER  27  -5.666   9.308   7.290
  212   2HB   SER  27          3HB       SER  27  -6.028   8.149   6.008
  213    HG   SER  27           HG       SER  27  -5.754   7.123   8.030
  214    H    LYS  28           H        LYS  28  -4.417  10.822   7.708
  215    HA   LYS  28           HA       LYS  28  -1.778  10.496   8.915
  216   1HB   LYS  28          2HB       LYS  28  -2.790  13.202   7.949
  217   2HB   LYS  28          3HB       LYS  28  -1.545  13.003   9.186
  218   1HG   LYS  28          2HG       LYS  28  -0.177  11.661   7.590
  219   2HG   LYS  28          3HG       LYS  28  -1.384  11.968   6.334
  220   1HD   LYS  28          2HD       LYS  28  -0.969  14.426   6.577
  221   2HD   LYS  28          3HD       LYS  28   0.307  14.063   7.766
  222   1HE   LYS  28          2HE       LYS  28   1.478  12.662   6.061
  223   2HE   LYS  28          3HE       LYS  28   0.208  13.027   4.890
  224   1HZ   LYS  28          1HZ       LYS  28   2.128  14.965   6.034
  225   2HZ   LYS  28          2HZ       LYS  28   2.043  14.416   4.487
  226   3HZ   LYS  28          3HZ       LYS  28   0.867  15.390   5.075
  227    H    THR  29           H        THR  29  -1.866  11.992  10.979
  228    HA   THR  29           HA       THR  29  -3.614  10.475  12.623
  229    HB   THR  29           HB       THR  29  -2.343  11.995  14.377
  230    HG1  THR  29           1HG      THR  29  -0.334  12.719  13.188
  231   1HG2  THR  29          1HG2      THR  29  -1.755   9.672  13.926
  232   2HG2  THR  29          2HG2      THR  29  -0.862  10.132  12.466
  233   3HG2  THR  29          3HG2      THR  29  -0.291  10.655  14.069
  234    H    TYR  30           H        TYR  30  -4.476  13.366  11.058
  235    HA   TYR  30           HA       TYR  30  -6.254  14.125  13.338
  236   1HB   TYR  30          2HB       TYR  30  -5.643  16.483  12.848
  237   2HB   TYR  30          3HB       TYR  30  -4.295  15.516  13.413
  238    HD1  TYR  30           1HD      TYR  30  -2.363  15.059  11.996
  239    HD2  TYR  30           2HD      TYR  30  -5.792  17.153  10.414
  240    HE1  TYR  30           1HE      TYR  30  -1.082  15.605   9.950
  241    HE2  TYR  30           2HE      TYR  30  -4.535  17.677   8.357
  242    HH   TYR  30           HH       TYR  30  -2.499  17.478   7.226
  243    H    CYS  31           H        CYS  31  -6.102  13.585   9.862
  244    HA   CYS  31           HA       CYS  31  -7.738  15.561   8.979
  245   1HB   CYS  31          2HB       CYS  31  -7.848  12.832   7.740
  246   2HB   CYS  31          3HB       CYS  31  -7.748  14.410   6.963
  247    H    GLY  32           H        GLY  32  -9.795  16.110   9.259
  248   1HA   GLY  32          1HA       GLY  32 -11.866  14.500  10.393
  249   2HA   GLY  32          2HA       GLY  32 -12.089  15.955   9.393
  250    H    TYR  33           H        TYR  33 -10.687  14.984   7.044
  251    HA   TYR  33           HA       TYR  33 -12.619  13.339   5.744
  252   1HB   TYR  33          2HB       TYR  33  -9.749  14.053   5.038
  253   2HB   TYR  33          3HB       TYR  33 -10.822  13.138   3.993
  254    HD1  TYR  33           1HD      TYR  33 -13.107  14.195   3.341
  255    HD2  TYR  33           2HD      TYR  33  -9.773  16.449   4.911
  256    HE1  TYR  33           1HE      TYR  33 -14.074  16.265   2.401
  257    HE2  TYR  33           2HE      TYR  33 -10.737  18.527   3.976
  258    HH   TYR  33           HH       TYR  33 -13.829  18.570   2.137
  259    H    CYS  34           H        CYS  34  -9.683  12.456   7.620
  260    HA   CYS  34           HA       CYS  34  -9.608   9.714   6.627
  261   1HB   CYS  34          2HB       CYS  34  -7.609  10.725   7.713
  262   2HB   CYS  34          3HB       CYS  34  -8.513  10.890   9.231
  263    HG   CYS  34           HG       CYS  34  -6.848   8.930   9.437
  264    H    ASN  35           H        ASN  35 -10.988  11.409   9.524
  265    HA   ASN  35           HA       ASN  35 -12.383   9.115  10.498
  266   1HB   ASN  35          2HB       ASN  35 -12.298  11.110  11.868
  267   2HB   ASN  35          3HB       ASN  35 -13.187  12.039  10.658
  268   1HD2  ASN  35          2HD2      ASN  35 -15.325  12.327  11.271
  269   2HD2  ASN  35          1HD2      ASN  35 -16.288  11.136  12.099
  270    H    ARG  36           H        ARG  36 -13.474  11.542   8.046
  271    HA   ARG  36           HA       ARG  36 -16.003  10.432   7.600
  272   1HB   ARG  36          2HB       ARG  36 -15.110  12.615   6.716
  273   2HB   ARG  36          3HB       ARG  36 -14.232  11.709   5.472
  274   1HG   ARG  36          2HG       ARG  36 -16.387  10.794   4.626
  275   2HG   ARG  36          3HG       ARG  36 -17.258  11.706   5.865
  276   1HD   ARG  36          2HD       ARG  36 -15.530  12.889   3.643
  277   2HD   ARG  36          3HD       ARG  36 -17.289  12.819   3.629
  278    HE   ARG  36           HE       ARG  36 -15.576  14.681   5.075
  279   1HH1  ARG  36          1HH1      ARG  36 -18.862  13.333   4.930
  280   2HH1  ARG  36          2HH1      ARG  36 -19.585  14.642   5.786
  281   1HH2  ARG  36          1HH2      ARG  36 -16.542  16.417   6.221
  282   2HH2  ARG  36          2HH2      ARG  36 -18.234  16.433   6.529
  283    H    VAL  37           H        VAL  37 -12.920   9.540   5.891
  284    HA   VAL  37           HA       VAL  37 -14.136   7.554   4.250
  285    HB   VAL  37           HB       VAL  37 -11.286   7.956   5.242
  286   1HG1  VAL  37          1HG1      VAL  37 -11.515   5.563   4.692
  287   2HG1  VAL  37          2HG1      VAL  37 -12.263   5.973   3.134
  288   3HG1  VAL  37          3HG1      VAL  37 -10.567   6.398   3.472
  289   1HG2  VAL  37          1HG2      VAL  37 -12.618   8.413   2.528
  290   2HG2  VAL  37          2HG2      VAL  37 -12.195   9.686   3.678
  291   3HG2  VAL  37          3HG2      VAL  37 -10.913   8.730   2.923
  292    H    LYS  38           H        LYS  38 -12.549   7.250   7.488
  293    HA   LYS  38           HA       LYS  38 -12.956   4.478   7.835
  294   1HB   LYS  38          2HB       LYS  38 -13.072   6.728   9.886
  295   2HB   LYS  38          3HB       LYS  38 -13.128   5.022  10.303
  296   1HG   LYS  38          2HG       LYS  38 -10.903   4.638   9.413
  297   2HG   LYS  38          3HG       LYS  38 -10.803   6.287   8.783
  298   1HD   LYS  38          2HD       LYS  38 -10.986   7.197  11.076
  299   2HD   LYS  38          3HD       LYS  38 -11.113   5.552  11.733
  300   1HE   LYS  38          2HE       LYS  38  -8.857   5.015  10.931
  301   2HE   LYS  38          3HE       LYS  38  -8.738   6.585  10.130
  302   1HZ   LYS  38          1HZ       LYS  38  -8.889   6.146  13.055
  303   2HZ   LYS  38          2HZ       LYS  38  -7.575   6.659  12.218
  304   3HZ   LYS  38          3HZ       LYS  38  -8.884   7.620  12.345
  305    H    GLN  39           H        GLN  39 -15.304   7.153   8.663
  306    HA   GLN  39           HA       GLN  39 -17.319   5.293   9.489
  307   1HB   GLN  39          2HB       GLN  39 -17.684   8.114   8.397
  308   2HB   GLN  39          3HB       GLN  39 -18.897   7.165   9.252
  309   1HG   GLN  39          2HG       GLN  39 -16.425   8.484  10.359
  310   2HG   GLN  39          3HG       GLN  39 -18.086   8.731  10.818
  311   1HE2  GLN  39          2HE2      GLN  39 -15.507   7.891  12.310
  312   2HE2  GLN  39          1HE2      GLN  39 -16.004   6.480  13.226
  313    H    LEU  40           H        LEU  40 -16.577   6.717   6.284
  314    HA   LEU  40           HA       LEU  40 -18.898   5.928   4.916
  315   1HB   LEU  40          2HB       LEU  40 -16.936   7.426   4.150
  316   2HB   LEU  40          3HB       LEU  40 -16.072   5.943   3.776
  317    HG   LEU  40           HG       LEU  40 -18.036   5.360   2.196
  318   1HD1  LEU  40          1HD1      LEU  40 -18.668   8.292   2.799
  319   2HD1  LEU  40          2HD1      LEU  40 -19.287   7.407   1.400
  320   3HD1  LEU  40          3HD1      LEU  40 -19.743   6.895   3.031
  321   1HD2  LEU  40          1HD2      LEU  40 -17.154   6.802   0.430
  322   2HD2  LEU  40          2HD2      LEU  40 -16.358   7.839   1.640
  323   3HD2  LEU  40          3HD2      LEU  40 -15.843   6.151   1.419
  324    H    LEU  41           H        LEU  41 -15.785   4.195   5.311
  325    HA   LEU  41           HA       LEU  41 -16.630   1.811   3.930
  326   1HB   LEU  41          2HB       LEU  41 -14.347   2.403   5.857
  327   2HB   LEU  41          3HB       LEU  41 -14.535   0.869   5.015
  328    HG   LEU  41           HG       LEU  41 -14.200   3.561   3.619
  329   1HD1  LEU  41          1HD1      LEU  41 -12.194   1.314   4.054
  330   2HD1  LEU  41          2HD1      LEU  41 -11.920   2.806   3.126
  331   3HD1  LEU  41          3HD1      LEU  41 -12.189   2.886   4.875
  332   1HD2  LEU  41          1HD2      LEU  41 -13.723   2.138   1.610
  333   2HD2  LEU  41          2HD2      LEU  41 -14.250   0.712   2.532
  334   3HD2  LEU  41          3HD2      LEU  41 -15.393   2.023   2.162
  335    H    THR  42           H        THR  42 -16.535   2.732   7.398
  336    HA   THR  42           HA       THR  42 -17.234   0.186   8.423
  337    HB   THR  42           HB       THR  42 -17.869   2.960   9.520
  338    HG1  THR  42           1HG      THR  42 -15.733   2.798   9.272
  339   1HG2  THR  42          1HG2      THR  42 -17.714   0.262  10.934
  340   2HG2  THR  42          2HG2      THR  42 -17.826   1.845  11.741
  341   3HG2  THR  42          3HG2      THR  42 -19.163   1.276  10.730
  342    H    GLN  43           H        GLN  43 -19.330   2.894   7.264
  343    HA   GLN  43           HA       GLN  43 -21.752   1.762   8.208
  344   1HB   GLN  43          2HB       GLN  43 -21.095   3.731   5.991
  345   2HB   GLN  43          3HB       GLN  43 -22.755   3.217   6.280
  346   1HG   GLN  43          2HG       GLN  43 -22.783   4.082   8.515
  347   2HG   GLN  43          3HG       GLN  43 -21.040   4.338   8.533
  348   1HE2  GLN  43          2HE2      GLN  43 -20.144   5.935   7.003
  349   2HE2  GLN  43          1HE2      GLN  43 -21.099   7.359   6.588
  350    H    VAL  44           H        VAL  44 -20.055   1.315   5.061
  351    HA   VAL  44           HA       VAL  44 -22.213  -0.371   4.086
  352    HB   VAL  44           HB       VAL  44 -20.791  -0.705   2.106
  353   1HG1  VAL  44          1HG1      VAL  44 -22.316   1.238   2.290
  354   2HG1  VAL  44          2HG1      VAL  44 -20.984   2.221   2.942
  355   3HG1  VAL  44          3HG1      VAL  44 -20.894   1.582   1.291
  356   1HG2  VAL  44          1HG2      VAL  44 -18.768   1.094   3.503
  357   2HG2  VAL  44          2HG2      VAL  44 -18.538  -0.621   3.109
  358   3HG2  VAL  44          3HG2      VAL  44 -18.714   0.582   1.817
  359    H    GLY  45           H        GLY  45 -19.958  -0.969   6.443
  360   1HA   GLY  45          1HA       GLY  45 -19.369  -2.882   7.503
  361   2HA   GLY  45          2HA       GLY  45 -20.389  -3.803   6.381
  362    H    ALA  46           H        ALA  46 -17.706  -1.700   5.272
  363    HA   ALA  46           HA       ALA  46 -16.430  -3.965   3.938
  364   1HB   ALA  46          1HB       ALA  46 -14.765  -2.261   3.254
  365   2HB   ALA  46          2HB       ALA  46 -16.422  -1.767   2.856
  366   3HB   ALA  46          3HB       ALA  46 -15.591  -1.055   4.258
  367    H    SER  47           H        SER  47 -14.523  -4.864   4.494
  368    HA   SER  47           HA       SER  47 -13.391  -4.483   7.209
  369   1HB   SER  47          2HB       SER  47 -12.555  -6.443   5.025
  370   2HB   SER  47          3HB       SER  47 -12.243  -6.548   6.766
  371    HG   SER  47           HG       SER  47 -14.697  -6.842   5.360
  372    H    TYR  48           H        TYR  48 -11.503  -3.176   7.392
  373    HA   TYR  48           HA       TYR  48  -9.887  -2.687   4.995
  374   1HB   TYR  48          2HB       TYR  48 -10.160  -0.281   5.056
  375   2HB   TYR  48          3HB       TYR  48 -11.709  -1.051   4.795
  376    HD1  TYR  48           1HD      TYR  48  -9.721   1.012   7.100
  377    HD2  TYR  48           2HD      TYR  48 -13.490  -0.987   6.491
  378    HE1  TYR  48           1HE      TYR  48 -10.718   2.308   8.968
  379    HE2  TYR  48           2HE      TYR  48 -14.501   0.323   8.330
  380    HH   TYR  48           HH       TYR  48 -14.138   1.924   9.973
  381    H    LYS  49           H        LYS  49  -8.012  -1.362   5.427
  382    HA   LYS  49           HA       LYS  49  -6.972  -1.456   8.233
  383   1HB   LYS  49          2HB       LYS  49  -5.921  -3.141   6.785
  384   2HB   LYS  49          3HB       LYS  49  -5.620  -1.932   5.531
  385   1HG   LYS  49          2HG       LYS  49  -3.991  -0.793   6.998
  386   2HG   LYS  49          3HG       LYS  49  -4.327  -1.973   8.287
  387   1HD   LYS  49          2HD       LYS  49  -3.496  -3.797   6.793
  388   2HD   LYS  49          3HD       LYS  49  -3.240  -2.617   5.504
  389   1HE   LYS  49          2HE       LYS  49  -1.105  -3.055   6.497
  390   2HE   LYS  49          3HE       LYS  49  -1.582  -1.413   6.927
  391   1HZ   LYS  49          1HZ       LYS  49  -0.667  -2.632   8.817
  392   2HZ   LYS  49          2HZ       LYS  49  -2.217  -2.247   9.127
  393   3HZ   LYS  49          3HZ       LYS  49  -1.816  -3.778   8.712
  394    H    VAL  50           H        VAL  50  -5.491   0.331   8.718
  395    HA   VAL  50           HA       VAL  50  -5.758   2.683   6.944
  396    HB   VAL  50           HB       VAL  50  -6.162   2.722   9.956
  397   1HG1  VAL  50          1HG1      VAL  50  -5.233   4.832   9.008
  398   2HG1  VAL  50          2HG1      VAL  50  -6.563   4.894   7.836
  399   3HG1  VAL  50          3HG1      VAL  50  -6.878   5.068   9.577
  400   1HG2  VAL  50          1HG2      VAL  50  -8.149   1.688   9.014
  401   2HG2  VAL  50          2HG2      VAL  50  -8.529   3.341   9.474
  402   3HG2  VAL  50          3HG2      VAL  50  -8.264   2.950   7.763
  403    H    VAL  51           H        VAL  51  -3.925   4.014   7.002
  404    HA   VAL  51           HA       VAL  51  -1.638   3.236   8.714
  405    HB   VAL  51           HB       VAL  51  -1.346   3.756   5.730
  406   1HG1  VAL  51          1HG1      VAL  51   0.916   3.019   6.071
  407   2HG1  VAL  51          2HG1      VAL  51   0.583   4.174   7.361
  408   3HG1  VAL  51          3HG1      VAL  51   0.564   2.442   7.717
  409   1HG2  VAL  51          1HG2      VAL  51  -2.546   1.641   5.852
  410   2HG2  VAL  51          2HG2      VAL  51  -0.859   1.349   5.439
  411   3HG2  VAL  51          3HG2      VAL  51  -1.425   1.040   7.098
  412    H    GLU  52           H        GLU  52  -2.113   5.067   9.952
  413    HA   GLU  52           HA       GLU  52  -2.401   7.709   8.765
  414   1HB   GLU  52          2HB       GLU  52  -2.056   6.724  11.625
  415   2HB   GLU  52          3HB       GLU  52  -2.190   8.439  11.178
  416   1HG   GLU  52          2HG       GLU  52  -4.389   8.082  10.193
  417   2HG   GLU  52          3HG       GLU  52  -4.267   6.342  10.434
  418    H    LEU  53           H        LEU  53  -0.640   8.133   7.530
  419    HA   LEU  53           HA       LEU  53   1.933   7.167   7.858
  420   1HB   LEU  53          2HB       LEU  53   1.015   9.701   6.433
  421   2HB   LEU  53          3HB       LEU  53   2.592   8.950   6.225
  422    HG   LEU  53           HG       LEU  53  -0.089   7.714   5.456
  423   1HD1  LEU  53          1HD1      LEU  53   0.701   9.532   3.968
  424   2HD1  LEU  53          2HD1      LEU  53   2.248   8.675   3.757
  425   3HD1  LEU  53          3HD1      LEU  53   0.733   7.959   3.161
  426   1HD2  LEU  53          1HD2      LEU  53   1.333   5.940   4.381
  427   2HD2  LEU  53          2HD2      LEU  53   2.737   6.599   5.250
  428   3HD2  LEU  53          3HD2      LEU  53   1.367   5.908   6.140
  429    H    ASP  54           H        ASP  54   0.613  10.178   9.253
  430    HA   ASP  54           HA       ASP  54   3.136  11.308   9.967
  431   1HB   ASP  54          2HB       ASP  54   1.123  12.640   9.988
  432   2HB   ASP  54          3HB       ASP  54   0.375  11.582  11.177
  433    H    GLU  55           H        GLU  55   1.340   8.618  11.389
  434    HA   GLU  55           HA       GLU  55   2.996   8.632  13.844
  435   1HB   GLU  55          2HB       GLU  55   0.541   8.144  13.908
  436   2HB   GLU  55          3HB       GLU  55   0.823   6.700  12.927
  437   1HG   GLU  55          2HG       GLU  55   2.236   5.743  14.700
  438   2HG   GLU  55          3HG       GLU  55   2.104   7.231  15.642
  439    H    LEU  56           H        LEU  56   2.786   7.121  10.657
  440    HA   LEU  56           HA       LEU  56   4.279   4.751  11.208
  441   1HB   LEU  56          2HB       LEU  56   2.828   5.120   9.191
  442   2HB   LEU  56          3HB       LEU  56   4.002   6.300   8.602
  443    HG   LEU  56           HG       LEU  56   5.740   4.502   8.493
  444   1HD1  LEU  56          1HD1      LEU  56   3.401   2.646   9.136
  445   2HD1  LEU  56          2HD1      LEU  56   4.996   2.131   8.549
  446   3HD1  LEU  56          3HD1      LEU  56   4.850   2.883  10.136
  447   1HD2  LEU  56          1HD2      LEU  56   3.195   3.966   6.918
  448   2HD2  LEU  56          2HD2      LEU  56   4.452   5.159   6.523
  449   3HD2  LEU  56          3HD2      LEU  56   4.834   3.432   6.484
  450    H    SER  57           H        SER  57   6.467   4.330  11.160
  451    HA   SER  57           HA       SER  57   8.231   6.256  11.955
  452   1HB   SER  57          2HB       SER  57   8.999   3.650  10.599
  453   2HB   SER  57          3HB       SER  57   9.846   4.491  11.910
  454    HG   SER  57           HG       SER  57   8.609   2.725  12.680
  455    H    ASP  58           H        ASP  58   7.404   5.632   8.599
  456    HA   ASP  58           HA       ASP  58   9.645   7.378   7.709
  457   1HB   ASP  58          2HB       ASP  58  10.192   4.924   7.463
  458   2HB   ASP  58          3HB       ASP  58   8.808   4.772   6.379
  459    H    GLY  59           H        GLY  59   6.753   7.785   8.238
  460   1HA   GLY  59          1HA       GLY  59   5.000   7.490   6.161
  461   2HA   GLY  59          2HA       GLY  59   4.950   8.791   7.352
  462    H    SER  60           H        SER  60   7.327  10.249   6.494
  463    HA   SER  60           HA       SER  60   6.145  11.869   4.468
  464   1HB   SER  60          2HB       SER  60   8.575  12.810   4.455
  465   2HB   SER  60          3HB       SER  60   7.587  12.967   5.918
  466    HG   SER  60           HG       SER  60   9.698  12.211   6.388
  467    H    GLN  61           H        GLN  61   8.775   9.417   4.334
  468    HA   GLN  61           HA       GLN  61   9.141   9.796   1.465
  469   1HB   GLN  61          2HB       GLN  61  10.105   7.545   3.262
  470   2HB   GLN  61          3HB       GLN  61  10.593   7.832   1.585
  471   1HG   GLN  61          2HG       GLN  61  11.361  10.165   2.348
  472   2HG   GLN  61          3HG       GLN  61  11.162   9.588   4.006
  473   1HE2  GLN  61          2HE2      GLN  61  12.386   7.435   4.510
  474   2HE2  GLN  61          1HE2      GLN  61  14.018   7.320   3.817
  475    H    LEU  62           H        LEU  62   7.224   7.634   3.562
  476    HA   LEU  62           HA       LEU  62   6.234   5.918   1.540
  477   1HB   LEU  62          2HB       LEU  62   5.997   5.983   4.201
  478   2HB   LEU  62          3HB       LEU  62   4.524   6.859   3.841
  479    HG   LEU  62           HG       LEU  62   4.077   4.538   4.248
  480   1HD1  LEU  62          1HD1      LEU  62   2.780   3.915   2.320
  481   2HD1  LEU  62          2HD1      LEU  62   2.720   5.681   2.455
  482   3HD1  LEU  62          3HD1      LEU  62   3.777   4.916   1.252
  483   1HD2  LEU  62          1HD2      LEU  62   4.943   2.702   2.920
  484   2HD2  LEU  62          2HD2      LEU  62   5.904   3.809   1.930
  485   3HD2  LEU  62          3HD2      LEU  62   6.281   3.607   3.653
  486    H    GLN  63           H        GLN  63   4.926   9.099   2.719
  487    HA   GLN  63           HA       GLN  63   2.827   9.183   0.816
  488   1HB   GLN  63          2HB       GLN  63   3.077  10.676   2.879
  489   2HB   GLN  63          3HB       GLN  63   4.236  11.635   1.946
  490   1HG   GLN  63          2HG       GLN  63   2.459  11.924   0.160
  491   2HG   GLN  63          3HG       GLN  63   1.336  11.013   1.165
  492   1HE2  GLN  63          2HE2      GLN  63   0.398  13.304   0.375
  493   2HE2  GLN  63          1HE2      GLN  63   0.480  14.552   1.608
  494    H    SER  64           H        SER  64   6.246  10.256   0.638
  495    HA   SER  64           HA       SER  64   6.051  11.554  -1.891
  496   1HB   SER  64          2HB       SER  64   8.453  10.107  -0.699
  497   2HB   SER  64          3HB       SER  64   8.477  11.323  -1.982
  498    HG   SER  64           HG       SER  64   7.639  11.703   0.729
  499    H    ALA  65           H        ALA  65   6.709   8.109  -1.045
  500    HA   ALA  65           HA       ALA  65   7.023   7.195  -3.731
  501   1HB   ALA  65          1HB       ALA  65   6.554   4.988  -2.795
  502   2HB   ALA  65          2HB       ALA  65   7.709   5.870  -1.781
  503   3HB   ALA  65          3HB       ALA  65   6.010   5.708  -1.268
  504    H    LEU  66           H        LEU  66   4.129   7.492  -1.606
  505    HA   LEU  66           HA       LEU  66   2.222   6.487  -3.432
  506   1HB   LEU  66          2HB       LEU  66   2.206   8.077  -0.958
  507   2HB   LEU  66          3HB       LEU  66   0.989   8.660  -2.059
  508    HG   LEU  66           HG       LEU  66   0.090   7.055  -0.490
  509   1HD1  LEU  66          1HD1      LEU  66  -1.080   5.580  -2.012
  510   2HD1  LEU  66          2HD1      LEU  66  -0.943   7.197  -2.726
  511   3HD1  LEU  66          3HD1      LEU  66   0.100   5.874  -3.299
  512   1HD2  LEU  66          1HD2      LEU  66   1.927   4.971  -1.735
  513   2HD2  LEU  66          2HD2      LEU  66   2.130   5.715  -0.139
  514   3HD2  LEU  66          3HD2      LEU  66   0.709   4.708  -0.466
  515    H    ALA  67           H        ALA  67   3.417   9.877  -3.061
  516    HA   ALA  67           HA       ALA  67   1.819  10.927  -5.144
  517   1HB   ALA  67          1HB       ALA  67   4.566  11.879  -4.198
  518   2HB   ALA  67          2HB       ALA  67   3.373  12.837  -5.097
  519   3HB   ALA  67          3HB       ALA  67   3.021  12.311  -3.439
  520    H    HIS  68           H        HIS  68   5.153   9.638  -5.267
  521    HA   HIS  68           HA       HIS  68   5.628   9.989  -8.031
  522   1HB   HIS  68          2HB       HIS  68   7.489   9.399  -6.784
  523   2HB   HIS  68          3HB       HIS  68   6.625   8.215  -5.821
  524    HD1  HIS  68           1HD      HIS  68   8.482   8.408  -9.174
  525    HD2  HIS  68           2HD      HIS  68   6.394   5.736  -6.668
  526    HE1  HIS  68           1HE      HIS  68   8.939   6.074 -10.083
  527    H    TRP  69           H        TRP  69   4.025   7.293  -6.294
  528    HA   TRP  69           HA       TRP  69   3.760   5.607  -8.571
  529   1HB   TRP  69          2HB       TRP  69   3.899   4.940  -6.203
  530   2HB   TRP  69          3HB       TRP  69   2.349   5.680  -5.874
  531    HD1  TRP  69           HD1      TRP  69   2.453   3.521  -9.002
  532    HE1  TRP  69           HE1      TRP  69   1.259   1.338  -8.577
  533    HE3  TRP  69           HE3      TRP  69   1.953   3.885  -3.928
  534    HZ2  TRP  69           HZ2      TRP  69   0.091  -0.080  -6.300
  535    HZ3  TRP  69           HZ3      TRP  69   0.792   2.093  -2.647
  536    HH2  TRP  69           HH2      TRP  69  -0.145   0.121  -3.828
  537    H    THR  70           H        THR  70   1.485   7.866  -6.961
  538    HA   THR  70           HA       THR  70  -0.686   7.013  -8.768
  539    HB   THR  70           HB       THR  70  -2.108   8.227  -7.198
  540    HG1  THR  70           1HG      THR  70   0.207   8.714  -5.641
  541   1HG2  THR  70          1HG2      THR  70  -1.739   6.866  -5.176
  542   2HG2  THR  70          2HG2      THR  70  -1.567   5.890  -6.647
  543   3HG2  THR  70          3HG2      THR  70  -0.129   6.403  -5.749
  544    H    GLY  71           H        GLY  71   1.523   9.709  -8.466
  545   1HA   GLY  71          1HA       GLY  71   1.676  11.687  -9.584
  546   2HA   GLY  71          2HA       GLY  71   0.333  11.209 -10.641
  547    H    ARG  72           H        ARG  72  -0.160  11.031  -7.155
  548    HA   ARG  72           HA       ARG  72  -1.699  13.581  -7.130
  549   1HB   ARG  72          2HB       ARG  72  -3.205  11.805  -7.926
  550   2HB   ARG  72          3HB       ARG  72  -2.804  10.798  -6.532
  551   1HG   ARG  72          2HG       ARG  72  -3.777  12.500  -5.025
  552   2HG   ARG  72          3HG       ARG  72  -4.177  13.524  -6.414
  553   1HD   ARG  72          2HD       ARG  72  -5.690  11.814  -7.287
  554   2HD   ARG  72          3HD       ARG  72  -5.227  10.687  -5.993
  555    HE   ARG  72           HE       ARG  72  -6.060  12.786  -4.544
  556   1HH1  ARG  72          1HH1      ARG  72  -7.637  10.895  -7.122
  557   2HH1  ARG  72          2HH1      ARG  72  -9.243  11.189  -6.535
  558   1HH2  ARG  72          1HH2      ARG  72  -8.223  13.406  -3.978
  559   2HH2  ARG  72          2HH2      ARG  72  -9.574  12.698  -4.793
  560    H    GLY  73           H        GLY  73  -1.057  10.668  -5.062
  561   1HA   GLY  73          1HA       GLY  73  -0.258  10.461  -2.953
  562   2HA   GLY  73          2HA       GLY  73   0.741  11.868  -3.326
  563    H    THR  74           H        THR  74  -2.787  12.332  -3.195
  564    HA   THR  74           HA       THR  74  -2.583  14.166  -0.983
  565    HB   THR  74           HB       THR  74  -5.165  13.962  -1.197
  566    HG1  THR  74           1HG      THR  74  -5.341  12.003  -2.250
  567   1HG2  THR  74          1HG2      THR  74  -3.883  15.780  -2.239
  568   2HG2  THR  74          2HG2      THR  74  -3.544  14.757  -3.654
  569   3HG2  THR  74          3HG2      THR  74  -5.212  15.252  -3.286
  570    H    VAL  75           H        VAL  75  -4.022  13.858   1.011
  571    HA   VAL  75           HA       VAL  75  -4.369  11.039   1.763
  572    HB   VAL  75           HB       VAL  75  -3.792  11.555   4.109
  573   1HG1  VAL  75          1HG1      VAL  75  -1.458  11.705   2.169
  574   2HG1  VAL  75          2HG1      VAL  75  -1.416  11.145   3.858
  575   3HG1  VAL  75          3HG1      VAL  75  -2.322  10.227   2.647
  576   1HG2  VAL  75          1HG2      VAL  75  -3.737  14.039   4.040
  577   2HG2  VAL  75          2HG2      VAL  75  -2.253  13.344   4.673
  578   3HG2  VAL  75          3HG2      VAL  75  -2.288  13.968   3.009
  579    HA   PRO  76           HA       PRO  76  -5.714   9.917   3.374
  580   1HB   PRO  76          2HB       PRO  76  -8.600   9.553   2.607
  581   2HB   PRO  76          3HB       PRO  76  -7.692   8.806   3.958
  582   1HG   PRO  76          2HG       PRO  76  -9.429  10.840   4.388
  583   2HG   PRO  76          3HG       PRO  76  -7.863  10.775   5.265
  584   1HD   PRO  76          2HD       PRO  76  -8.577  12.428   2.829
  585   2HD   PRO  76          3HD       PRO  76  -7.677  12.912   4.296
  586    H    ASN  77           H        ASN  77  -5.681   8.052   1.951
  587    HA   ASN  77           HA       ASN  77  -6.447   8.420  -0.895
  588   1HB   ASN  77          2HB       ASN  77  -3.795   8.687  -0.045
  589   2HB   ASN  77          3HB       ASN  77  -3.887   6.974  -0.411
  590   1HD2  ASN  77          2HD2      ASN  77  -3.356  10.006  -1.731
  591   2HD2  ASN  77          1HD2      ASN  77  -3.621   9.618  -3.427
  592    H    VAL  78           H        VAL  78  -7.488   6.527  -1.577
  593    HA   VAL  78           HA       VAL  78  -7.499   4.293   0.395
  594    HB   VAL  78           HB       VAL  78  -9.864   5.351  -1.185
  595   1HG1  VAL  78          1HG1      VAL  78  -9.604   3.298   1.066
  596   2HG1  VAL  78          2HG1      VAL  78 -11.149   3.951   0.502
  597   3HG1  VAL  78          3HG1      VAL  78 -10.145   3.000  -0.597
  598   1HG2  VAL  78          1HG2      VAL  78 -10.691   6.194   1.039
  599   2HG2  VAL  78          2HG2      VAL  78  -9.092   5.846   1.723
  600   3HG2  VAL  78          3HG2      VAL  78  -9.286   7.070   0.450
  601    H    PHE  79           H        PHE  79  -7.470   2.283  -0.348
  602    HA   PHE  79           HA       PHE  79  -7.213   1.767  -3.264
  603   1HB   PHE  79          2HB       PHE  79  -5.403   0.949  -0.942
  604   2HB   PHE  79          3HB       PHE  79  -5.453   0.054  -2.445
  605    HD1  PHE  79           1HD      PHE  79  -3.781   0.488  -3.992
  606    HD2  PHE  79           2HD      PHE  79  -4.986   3.656  -1.318
  607    HE1  PHE  79           1HE      PHE  79  -2.099   1.996  -5.001
  608    HE2  PHE  79           2HE      PHE  79  -3.342   5.163  -2.370
  609    HZ   PHE  79           HZ       PHE  79  -1.872   4.333  -4.200
  610    H    ILE  80           H        ILE  80  -7.939  -0.306  -3.852
  611    HA   ILE  80           HA       ILE  80  -9.036  -2.066  -1.750
  612    HB   ILE  80           HB       ILE  80 -10.528  -1.273  -4.283
  613   1HG1  ILE  80          2HG1      ILE  80 -11.356  -0.860  -1.378
  614   2HG1  ILE  80          3HG1      ILE  80 -10.726   0.411  -2.409
  615   1HG2  ILE  80          1HG2      ILE  80 -12.295  -2.841  -3.465
  616   2HG2  ILE  80          2HG2      ILE  80 -10.785  -3.653  -3.814
  617   3HG2  ILE  80          3HG2      ILE  80 -11.235  -3.307  -2.128
  618   1HD1  ILE  80          1HD1      ILE  80 -12.675   0.095  -3.960
  619   2HD1  ILE  80          2HD1      ILE  80 -13.363  -1.056  -2.801
  620   3HD1  ILE  80          3HD1      ILE  80 -13.111   0.624  -2.324
  621    H    GLY  81           H        GLY  81  -8.440  -4.159  -2.183
  622   1HA   GLY  81          1HA       GLY  81  -7.268  -5.887  -3.107
  623   2HA   GLY  81          2HA       GLY  81  -8.052  -5.403  -4.618
  624    H    GLY  82           H        GLY  82  -5.610  -3.467  -2.809
  625   1HA   GLY  82          1HA       GLY  82  -3.466  -2.868  -3.323
  626   2HA   GLY  82          2HA       GLY  82  -3.378  -4.228  -4.443
  627    H    LYS  83           H        LYS  83  -5.994  -1.946  -5.058
  628    HA   LYS  83           HA       LYS  83  -4.361  -0.530  -7.122
  629   1HB   LYS  83          2HB       LYS  83  -5.775  -2.295  -8.117
  630   2HB   LYS  83          3HB       LYS  83  -7.205  -1.615  -7.323
  631   1HG   LYS  83          2HG       LYS  83  -7.024   0.438  -8.649
  632   2HG   LYS  83          3HG       LYS  83  -5.474  -0.092  -9.320
  633   1HD   LYS  83          2HD       LYS  83  -7.215  -0.404 -10.965
  634   2HD   LYS  83          3HD       LYS  83  -6.605  -1.984 -10.451
  635   1HE   LYS  83          2HE       LYS  83  -8.566  -2.248  -8.941
  636   2HE   LYS  83          3HE       LYS  83  -9.157  -0.652  -9.424
  637   1HZ   LYS  83          1HZ       LYS  83  -9.398  -1.502 -11.685
  638   2HZ   LYS  83          2HZ       LYS  83  -8.845  -2.974 -11.242
  639   3HZ   LYS  83          3HZ       LYS  83 -10.257  -2.420 -10.650
  640    H    GLN  84           H        GLN  84  -4.638   1.680  -7.136
  641    HA   GLN  84           HA       GLN  84  -5.842   2.966  -4.891
  642   1HB   GLN  84          2HB       GLN  84  -3.922   3.873  -6.278
  643   2HB   GLN  84          3HB       GLN  84  -5.064   4.142  -7.599
  644   1HG   GLN  84          2HG       GLN  84  -6.385   5.660  -6.059
  645   2HG   GLN  84          3HG       GLN  84  -5.155   5.409  -4.824
  646   1HE2  GLN  84          2HE2      GLN  84  -4.590   7.605  -4.718
  647   2HE2  GLN  84          1HE2      GLN  84  -3.821   8.457  -6.058
  648    H    ILE  85           H        ILE  85  -7.838   3.922  -4.661
  649    HA   ILE  85           HA       ILE  85  -9.750   3.770  -6.952
  650    HB   ILE  85           HB       ILE  85 -10.265   4.230  -3.978
  651   1HG1  ILE  85          2HG1      ILE  85  -9.627   1.917  -4.284
  652   2HG1  ILE  85          3HG1      ILE  85 -11.350   2.039  -3.992
  653   1HG2  ILE  85          1HG2      ILE  85 -12.675   3.885  -4.671
  654   2HG2  ILE  85          2HG2      ILE  85 -11.947   5.388  -5.265
  655   3HG2  ILE  85          3HG2      ILE  85 -12.138   4.008  -6.361
  656   1HD1  ILE  85          1HD1      ILE  85 -11.776   1.702  -6.445
  657   2HD1  ILE  85          2HD1      ILE  85 -10.021   1.507  -6.690
  658   3HD1  ILE  85          3HD1      ILE  85 -10.917   0.353  -5.701
  659    H    GLY  86           H        GLY  86  -8.529   5.944  -4.304
  660   1HA   GLY  86          1HA       GLY  86  -7.704   8.089  -5.719
  661   2HA   GLY  86          2HA       GLY  86  -9.454   8.338  -5.682
  662    H    GLY  87           H        GLY  87  -9.132  10.209  -4.339
  663   1HA   GLY  87          1HA       GLY  87  -8.008   9.819  -1.628
  664   2HA   GLY  87          2HA       GLY  87  -8.506  11.345  -2.352
  665    H    CYS  88           H        CYS  88  -9.476  11.348  -0.068
  666    HA   CYS  88           HA       CYS  88 -11.714   9.874   0.726
  667   1HB   CYS  88          2HB       CYS  88 -12.305  12.029   1.972
  668   2HB   CYS  88          3HB       CYS  88 -10.707  11.344   2.289
  669    HG   CYS  88           HG       CYS  88 -10.701  14.042   2.193
  670    H    ASP  89           H        ASP  89 -11.679  12.911  -1.205
  671    HA   ASP  89           HA       ASP  89 -14.467  13.111  -1.554
  672   1HB   ASP  89          2HB       ASP  89 -12.930  14.937  -2.074
  673   2HB   ASP  89          3HB       ASP  89 -12.200  13.997  -3.379
  674    H    THR  90           H        THR  90 -12.056  11.248  -3.456
  675    HA   THR  90           HA       THR  90 -13.812  10.567  -5.581
  676    HB   THR  90           HB       THR  90 -11.444   8.955  -4.564
  677    HG1  THR  90           1HG      THR  90 -11.513  11.355  -6.056
  678   1HG2  THR  90          1HG2      THR  90 -12.775   9.283  -7.272
  679   2HG2  THR  90          2HG2      THR  90 -11.135   8.637  -7.090
  680   3HG2  THR  90          3HG2      THR  90 -12.498   7.791  -6.338
  681    H    VAL  91           H        VAL  91 -12.996   8.806  -2.478
  682    HA   VAL  91           HA       VAL  91 -14.791   6.658  -3.218
  683    HB   VAL  91           HB       VAL  91 -14.586   5.897  -0.874
  684   1HG1  VAL  91          1HG1      VAL  91 -11.933   6.502  -2.258
  685   2HG1  VAL  91          2HG1      VAL  91 -12.284   5.182  -1.120
  686   3HG1  VAL  91          3HG1      VAL  91 -13.053   5.196  -2.704
  687   1HG2  VAL  91          1HG2      VAL  91 -12.562   8.131  -0.494
  688   2HG2  VAL  91          2HG2      VAL  91 -14.169   8.084   0.268
  689   3HG2  VAL  91          3HG2      VAL  91 -12.977   6.838   0.644
  690    H    VAL  92           H        VAL  92 -15.286   9.700  -1.347
  691    HA   VAL  92           HA       VAL  92 -17.923   8.989  -0.489
  692    HB   VAL  92           HB       VAL  92 -16.544  11.659  -0.971
  693   1HG1  VAL  92          1HG1      VAL  92 -18.375  12.698   0.365
  694   2HG1  VAL  92          2HG1      VAL  92 -18.946  12.098  -1.193
  695   3HG1  VAL  92          3HG1      VAL  92 -19.285  11.171   0.284
  696   1HG2  VAL  92          1HG2      VAL  92 -17.354  10.241   1.616
  697   2HG2  VAL  92          2HG2      VAL  92 -15.721  10.206   0.932
  698   3HG2  VAL  92          3HG2      VAL  92 -16.410  11.741   1.462
  699    H    GLU  93           H        GLU  93 -16.744  10.632  -3.512
  700    HA   GLU  93           HA       GLU  93 -19.305  11.043  -4.645
  701   1HB   GLU  93          2HB       GLU  93 -17.137  12.034  -5.438
  702   2HB   GLU  93          3HB       GLU  93 -16.657  10.445  -6.031
  703   1HG   GLU  93          2HG       GLU  93 -19.127  10.775  -7.266
  704   2HG   GLU  93          3HG       GLU  93 -18.564  12.434  -7.167
  705    H    LYS  94           H        LYS  94 -17.009   8.268  -5.058
  706    HA   LYS  94           HA       LYS  94 -18.783   6.777  -6.752
  707   1HB   LYS  94          2HB       LYS  94 -16.455   5.910  -4.993
  708   2HB   LYS  94          3HB       LYS  94 -17.296   4.839  -6.128
  709   1HG   LYS  94          2HG       LYS  94 -16.664   6.235  -8.026
  710   2HG   LYS  94          3HG       LYS  94 -15.960   7.447  -6.968
  711   1HD   LYS  94          2HD       LYS  94 -14.100   6.254  -7.771
  712   2HD   LYS  94          3HD       LYS  94 -14.352   5.675  -6.132
  713   1HE   LYS  94          2HE       LYS  94 -13.926   3.713  -7.338
  714   2HE   LYS  94          3HE       LYS  94 -15.682   3.710  -7.190
  715   1HZ   LYS  94          1HZ       LYS  94 -14.172   4.625  -9.584
  716   2HZ   LYS  94          2HZ       LYS  94 -14.915   3.184  -9.444
  717   3HZ   LYS  94          3HZ       LYS  94 -15.809   4.548  -9.479
  718    H    HIS  95           H        HIS  95 -18.596   6.963  -3.159
  719    HA   HIS  95           HA       HIS  95 -20.420   4.764  -2.769
  720   1HB   HIS  95          2HB       HIS  95 -19.013   5.583  -0.949
  721   2HB   HIS  95          3HB       HIS  95 -19.769   7.175  -1.031
  722    HD1  HIS  95           1HD      HIS  95 -21.034   3.523  -0.376
  723    HD2  HIS  95           2HD      HIS  95 -21.691   7.551   0.656
  724    HE1  HIS  95           1HE      HIS  95 -22.905   3.527   1.349
  725    H    GLN  96           H        GLN  96 -20.893   8.338  -3.058
  726    HA   GLN  96           HA       GLN  96 -23.713   8.311  -2.734
  727   1HB   GLN  96          2HB       GLN  96 -21.821  10.197  -4.185
  728   2HB   GLN  96          3HB       GLN  96 -23.549  10.519  -4.020
  729   1HG   GLN  96          2HG       GLN  96 -23.424  10.556  -1.616
  730   2HG   GLN  96          3HG       GLN  96 -21.754  10.019  -1.605
  731   1HE2  GLN  96          2HE2      GLN  96 -22.552  12.350  -0.243
  732   2HE2  GLN  96          1HE2      GLN  96 -21.842  13.735  -1.031
  733    H    ARG  97           H        ARG  97 -21.710   7.871  -5.689
  734    HA   ARG  97           HA       ARG  97 -24.079   7.559  -7.379
  735   1HB   ARG  97          2HB       ARG  97 -21.117   7.094  -7.928
  736   2HB   ARG  97          3HB       ARG  97 -22.409   6.989  -9.134
  737   1HG   ARG  97          2HG       ARG  97 -23.049   9.377  -8.555
  738   2HG   ARG  97          3HG       ARG  97 -21.561   9.484  -7.615
  739   1HD   ARG  97          2HD       ARG  97 -21.787   8.922 -10.608
  740   2HD   ARG  97          3HD       ARG  97 -21.293  10.437  -9.861
  741    HE   ARG  97           HE       ARG  97 -19.204   9.547  -9.269
  742   1HH1  ARG  97          1HH2      ARG  97 -21.079   7.076 -11.049
  743   2HH1  ARG  97          2HH2      ARG  97 -19.704   6.023 -11.216
  744   1HH2  ARG  97          1HH1      ARG  97 -17.515   8.279  -9.549
  745   2HH2  ARG  97          2HH1      ARG  97 -17.651   6.639 -10.223
  746    H    ASN  98           H        ASN  98 -23.055   5.523  -5.052
  747    HA   ASN  98           HA       ASN  98 -23.011   3.345  -4.639
  748   1HB   ASN  98          2HB       ASN  98 -25.441   3.684  -4.929
  749   2HB   ASN  98          3HB       ASN  98 -25.295   3.188  -6.620
  750   1HD2  ASN  98          2HD2      ASN  98 -26.602   1.278  -6.394
  751   2HD2  ASN  98          1HD2      ASN  98 -26.085  -0.090  -5.444
  752    H    GLU  99           H        GLU  99 -20.997   3.973  -6.178
  753    HA   GLU  99           HA       GLU  99 -20.624   1.723  -8.104
  754   1HB   GLU  99          2HB       GLU  99 -20.574   4.051  -9.013
  755   2HB   GLU  99          3HB       GLU  99 -19.220   4.420  -7.941
  756   1HG   GLU  99          2HG       GLU  99 -17.850   2.685  -9.070
  757   2HG   GLU  99          3HG       GLU  99 -19.224   2.266 -10.107
  758    H    LEU 100           H        LEU 100 -19.400   3.413  -5.219
  759    HA   LEU 100           HA       LEU 100 -16.923   1.955  -5.013
  760   1HB   LEU 100          2HB       LEU 100 -17.496   4.093  -3.751
  761   2HB   LEU 100          3HB       LEU 100 -18.614   3.150  -2.769
  762    HG   LEU 100           HG       LEU 100 -16.623   1.716  -2.058
  763   1HD1  LEU 100          1HD1      LEU 100 -15.073   3.937  -3.463
  764   2HD1  LEU 100          2HD1      LEU 100 -14.367   2.765  -2.329
  765   3HD1  LEU 100          3HD1      LEU 100 -15.038   2.202  -3.860
  766   1HD2  LEU 100          1HD2      LEU 100 -17.535   3.445  -0.601
  767   2HD2  LEU 100          2HD2      LEU 100 -15.772   3.409  -0.465
  768   3HD2  LEU 100          3HD2      LEU 100 -16.564   4.687  -1.417
  769    H    LEU 101           H        LEU 101 -20.253   1.381  -3.803
  770    HA   LEU 101           HA       LEU 101 -19.543  -0.752  -2.103
  771   1HB   LEU 101          2HB       LEU 101 -21.905   0.644  -2.679
  772   2HB   LEU 101          3HB       LEU 101 -22.283  -1.017  -3.132
  773    HG   LEU 101           HG       LEU 101 -21.105  -0.181  -0.453
  774   1HD1  LEU 101          1HD1      LEU 101 -23.972  -0.901  -1.188
  775   2HD1  LEU 101          2HD1      LEU 101 -23.363  -0.570   0.451
  776   3HD1  LEU 101          3HD1      LEU 101 -23.375   0.716  -0.765
  777   1HD2  LEU 101          1HD2      LEU 101 -21.801  -2.457   0.278
  778   2HD2  LEU 101          2HD2      LEU 101 -22.264  -2.839  -1.400
  779   3HD2  LEU 101          3HD2      LEU 101 -20.564  -2.513  -0.981
  780    HA   PRO 102           HA       PRO 102 -20.481  -3.727  -5.914
  781   1HB   PRO 102          2HB       PRO 102 -19.570  -1.600  -7.898
  782   2HB   PRO 102          3HB       PRO 102 -20.489  -3.100  -8.236
  783   1HG   PRO 102          2HG       PRO 102 -21.865  -0.839  -7.945
  784   2HG   PRO 102          3HG       PRO 102 -22.391  -2.296  -7.026
  785   1HD   PRO 102          2HD       PRO 102 -20.769   0.069  -6.036
  786   2HD   PRO 102          3HD       PRO 102 -22.141  -0.755  -5.257
  787    H    LEU 103           H        LEU 103 -17.836  -1.249  -5.966
  788    HA   LEU 103           HA       LEU 103 -15.828  -3.077  -6.855
  789   1HB   LEU 103          2HB       LEU 103 -15.988  -0.359  -6.562
  790   2HB   LEU 103          3HB       LEU 103 -15.082  -0.734  -5.117
  791    HG   LEU 103           HG       LEU 103 -13.601  -0.109  -6.892
  792   1HD1  LEU 103          1HD1      LEU 103 -12.049  -1.959  -7.020
  793   2HD1  LEU 103          2HD1      LEU 103 -12.778  -1.904  -5.414
  794   3HD1  LEU 103          3HD1      LEU 103 -13.316  -3.124  -6.588
  795   1HD2  LEU 103          1HD2      LEU 103 -13.411  -1.230  -9.027
  796   2HD2  LEU 103          2HD2      LEU 103 -14.679  -2.392  -8.599
  797   3HD2  LEU 103          3HD2      LEU 103 -15.076  -0.674  -8.807
  798    H    LEU 104           H        LEU 104 -16.830  -1.975  -3.602
  799    HA   LEU 104           HA       LEU 104 -14.907  -3.495  -2.114
  800   1HB   LEU 104          2HB       LEU 104 -17.671  -2.417  -1.412
  801   2HB   LEU 104          3HB       LEU 104 -16.590  -3.154  -0.237
  802    HG   LEU 104           HG       LEU 104 -15.738  -0.725  -1.864
  803   1HD1  LEU 104          1HD1      LEU 104 -16.353   0.608   0.151
  804   2HD1  LEU 104          2HD1      LEU 104 -17.763  -0.112  -0.641
  805   3HD1  LEU 104          3HD1      LEU 104 -17.120  -0.837   0.846
  806   1HD2  LEU 104          1HD2      LEU 104 -14.801  -1.857   0.805
  807   2HD2  LEU 104          2HD2      LEU 104 -13.941  -2.043  -0.735
  808   3HD2  LEU 104          3HD2      LEU 104 -14.134  -0.436  -0.025
  809    H    GLN 105           H        GLN 105 -18.238  -4.224  -3.201
  810    HA   GLN 105           HA       GLN 105 -18.492  -6.769  -1.945
  811   1HB   GLN 105          2HB       GLN 105 -19.753  -5.476  -4.383
  812   2HB   GLN 105          3HB       GLN 105 -20.202  -7.092  -3.869
  813   1HG   GLN 105          2HG       GLN 105 -20.336  -4.747  -1.946
  814   2HG   GLN 105          3HG       GLN 105 -21.629  -5.059  -3.097
  815   1HE2  GLN 105          2HE2      GLN 105 -22.292  -5.068  -0.436
  816   2HE2  GLN 105          1HE2      GLN 105 -22.631  -6.704   0.076
  817    H    ASP 106           H        ASP 106 -17.296  -5.813  -5.186
  818    HA   ASP 106           HA       ASP 106 -16.752  -8.454  -6.126
  819   1HB   ASP 106          2HB       ASP 106 -16.875  -6.570  -7.636
  820   2HB   ASP 106          3HB       ASP 106 -15.508  -5.782  -6.846
  821    H    ALA 107           H        ALA 107 -14.745  -6.130  -4.265
  822    HA   ALA 107           HA       ALA 107 -12.449  -7.864  -4.114
  823   1HB   ALA 107          1HB       ALA 107 -12.355  -5.410  -3.848
  824   2HB   ALA 107          2HB       ALA 107 -13.277  -5.529  -2.329
  825   3HB   ALA 107          3HB       ALA 107 -11.655  -6.239  -2.444
  826    H    ALA 108           H        ALA 108 -15.464  -8.419  -2.806
  827    HA   ALA 108           HA       ALA 108 -16.372  -9.433  -1.058
  828   1HB   ALA 108          1HB       ALA 108 -15.328 -11.453  -0.206
  829   2HB   ALA 108          2HB       ALA 108 -15.069 -11.346  -1.952
  830   3HB   ALA 108          3HB       ALA 108 -13.745 -10.955  -0.831
  831    H    ALA 109           H        ALA 109 -14.918  -6.899  -0.539
  832    HA   ALA 109           HA       ALA 109 -13.582  -7.095   2.032
  833   1HB   ALA 109          1HB       ALA 109 -13.107  -5.286   0.392
  834   2HB   ALA 109          2HB       ALA 109 -14.774  -4.694   0.560
  835   3HB   ALA 109          3HB       ALA 109 -13.675  -4.639   1.950
  836    H    THR 110           H        THR 110 -16.912  -6.542   0.922
  837    HA   THR 110           HA       THR 110 -17.971  -5.448   3.339
  838    HB   THR 110           HB       THR 110 -20.145  -6.248   2.119
  839    HG1  THR 110           1HG      THR 110 -19.101  -7.717   0.721
  840   1HG2  THR 110          1HG2      THR 110 -18.268  -4.309   0.701
  841   2HG2  THR 110          2HG2      THR 110 -20.035  -4.370   0.563
  842   3HG2  THR 110          3HG2      THR 110 -19.289  -3.901   2.098
  843    H    ALA 111           H        ALA 111 -17.768  -6.613   5.186
  844    HA   ALA 111           HA       ALA 111 -17.663  -9.445   5.384
  845   1HB   ALA 111          1HB       ALA 111 -18.513  -7.341   7.418
  846   2HB   ALA 111          2HB       ALA 111 -18.014  -9.012   7.788
  847   3HB   ALA 111          3HB       ALA 111 -16.847  -7.868   7.082
  848    H    LYS 112           H        LYS 112 -20.359  -7.300   4.938
  849    HA   LYS 112           HA       LYS 112 -22.561  -8.840   5.784
  850   1HB   LYS 112          2HB       LYS 112 -22.319  -7.076   3.303
  851   2HB   LYS 112          3HB       LYS 112 -23.819  -7.575   4.086
  852   1HG   LYS 112          2HG       LYS 112 -23.210  -6.285   6.119
  853   2HG   LYS 112          3HG       LYS 112 -21.678  -5.815   5.372
  854   1HD   LYS 112          2HD       LYS 112 -23.175  -3.974   5.150
  855   2HD   LYS 112          3HD       LYS 112 -22.923  -4.669   3.540
  856   1HE   LYS 112          2HE       LYS 112 -25.100  -5.859   3.712
  857   2HE   LYS 112          3HE       LYS 112 -25.322  -5.238   5.352
  858   1HZ   LYS 112          1HZ       LYS 112 -26.549  -3.939   3.737
  859   2HZ   LYS 112          2HZ       LYS 112 -25.412  -3.000   4.425
  860   3HZ   LYS 112          3HZ       LYS 112 -25.199  -3.570   2.903
  861    H    ASN 113           H        ASN 113 -20.350  -9.450   3.106
  862    HA   ASN 113           HA       ASN 113 -22.095 -11.635   2.077
  863   1HB   ASN 113          2HB       ASN 113 -22.566  -9.727   0.655
  864   2HB   ASN 113          3HB       ASN 113 -20.840  -9.399   0.458
  865   1HD2  ASN 113          2HD2      ASN 113 -21.350  -9.544  -1.861
  866   2HD2  ASN 113          1HD2      ASN 113 -21.391 -11.117  -2.647
  867    HA   PRO 114           HA       PRO 114 -17.855 -13.278   2.769
  868   1HB   PRO 114          2HB       PRO 114 -19.481 -15.790   2.360
  869   2HB   PRO 114          3HB       PRO 114 -18.162 -15.481   3.533
  870   1HG   PRO 114          2HG       PRO 114 -20.749 -15.421   4.340
  871   2HG   PRO 114          3HG       PRO 114 -19.602 -14.163   4.913
  872   1HD   PRO 114          2HD       PRO 114 -21.639 -13.971   2.679
  873   2HD   PRO 114          3HD       PRO 114 -21.260 -12.792   3.974
  874    H    ALA 115           H        ALA 115 -20.112 -13.668   0.103
  875    HA   ALA 115           HA       ALA 115 -18.116 -14.952  -1.669
  876   1HB   ALA 115          1HB       ALA 115 -20.470 -15.771  -1.659
  877   2HB   ALA 115          2HB       ALA 115 -21.014 -14.173  -2.214
  878   3HB   ALA 115          3HB       ALA 115 -19.952 -15.167  -3.235
  879    H    GLN 116           H        GLN 116 -19.567 -13.273  -3.873
  880    HA   GLN 116           HA       GLN 116 -18.095 -10.717  -3.532
  881   1HB   GLN 116          2HB       GLN 116 -17.977 -12.604  -5.921
  882   2HB   GLN 116          3HB       GLN 116 -17.414 -10.930  -5.953
  883   1HG   GLN 116          2HG       GLN 116 -15.761 -11.390  -4.209
  884   2HG   GLN 116          3HG       GLN 116 -16.299 -13.068  -4.093
  885   1HE2  GLN 116          2HE2      GLN 116 -14.388 -10.774  -5.958
  886   2HE2  GLN 116          1HE2      GLN 116 -13.754 -11.940  -7.105
  887    H    LEU 117           H        LEU 117 -18.785  -9.269  -5.495
  888    HA   LEU 117           HA       LEU 117 -21.482  -8.573  -5.335
  889   1HB   LEU 117          2HB       LEU 117 -19.673  -7.104  -6.258
  890   2HB   LEU 117          3HB       LEU 117 -19.552  -8.168  -7.659
  891    HG   LEU 117           HG       LEU 117 -21.920  -7.583  -8.275
  892   1HD1  LEU 117          1HD1      LEU 117 -21.678  -5.636  -5.938
  893   2HD1  LEU 117          2HD1      LEU 117 -22.939  -5.585  -7.187
  894   3HD1  LEU 117          3HD1      LEU 117 -22.843  -6.966  -6.095
  895   1HD2  LEU 117          1HD2      LEU 117 -20.048  -6.439  -9.300
  896   2HD2  LEU 117          2HD2      LEU 117 -21.359  -5.286  -9.017
  897   3HD2  LEU 117          3HD2      LEU 117 -19.937  -5.312  -7.939
  Start of MODEL   16
    1   1H    MET   1           H1       MET   1  20.473   4.683   2.341
    2   2H    MET   1           H2       MET   1  21.509   3.479   2.761
    3   3H    MET   1           H3       MET   1  22.047   5.016   2.626
    4    HA   MET   1           HA       MET   1  22.757   3.737   0.750
    5   1HB   MET   1          2HB       MET   1  19.778   3.322   0.269
    6   2HB   MET   1          3HB       MET   1  21.035   3.047  -0.941
    7   1HG   MET   1          2HG       MET   1  20.772   1.585   1.710
    8   2HG   MET   1          3HG       MET   1  20.366   0.968   0.115
    9   1HE   MET   1          1HE       MET   1  23.445  -1.226   1.094
   10   2HE   MET   1          2HE       MET   1  22.170  -0.617   2.172
   11   3HE   MET   1          3HE       MET   1  21.753  -1.217   0.550
   12    H    ALA   2           H        ALA   2  19.796   5.293  -0.545
   13    HA   ALA   2           HA       ALA   2  20.951   7.939  -0.686
   14   1HB   ALA   2          1HB       ALA   2  20.876   8.030  -3.178
   15   2HB   ALA   2          2HB       ALA   2  22.100   6.875  -2.629
   16   3HB   ALA   2          3HB       ALA   2  20.536   6.287  -3.238
   17    H    SER   3           H        SER   3  19.248   9.432  -1.476
   18    HA   SER   3           HA       SER   3  16.777   8.881  -0.427
   19   1HB   SER   3          2HB       SER   3  17.284  10.870  -2.665
   20   2HB   SER   3          3HB       SER   3  16.096  10.988  -1.353
   21    HG   SER   3           HG       SER   3  17.972  12.252  -0.954
   22    H    LYS   4           H        LYS   4  17.764   8.401  -3.817
   23    HA   LYS   4           HA       LYS   4  15.141   7.839  -4.831
   24   1HB   LYS   4          2HB       LYS   4  17.131   8.385  -6.230
   25   2HB   LYS   4          3HB       LYS   4  17.840   6.813  -5.821
   26   1HG   LYS   4          2HG       LYS   4  15.950   5.658  -6.931
   27   2HG   LYS   4          3HG       LYS   4  15.147   7.207  -7.208
   28   1HD   LYS   4          2HD       LYS   4  16.168   6.465  -9.261
   29   2HD   LYS   4          3HD       LYS   4  17.012   7.913  -8.688
   30   1HE   LYS   4          2HE       LYS   4  18.832   6.486  -7.768
   31   2HE   LYS   4          3HE       LYS   4  17.966   5.035  -8.290
   32   1HZ   LYS   4          1HZ       LYS   4  19.027   7.127 -10.102
   33   2HZ   LYS   4          2HZ       LYS   4  19.685   5.657  -9.862
   34   3HZ   LYS   4          3HZ       LYS   4  18.231   5.783 -10.583
   35    H    GLN   5           H        GLN   5  17.642   5.712  -3.333
   36    HA   GLN   5           HA       GLN   5  16.055   3.337  -3.812
   37   1HB   GLN   5          2HB       GLN   5  18.510   3.246  -3.641
   38   2HB   GLN   5          3HB       GLN   5  18.432   3.787  -1.963
   39   1HG   GLN   5          2HG       GLN   5  18.797   1.351  -2.154
   40   2HG   GLN   5          3HG       GLN   5  17.318   1.723  -1.288
   41   1HE2  GLN   5          2HE2      GLN   5  15.271   1.244  -2.290
   42   2HE2  GLN   5          1HE2      GLN   5  15.109   0.248  -3.718
   43    H    GLU   6           H        GLU   6  16.301   5.757  -1.162
   44    HA   GLU   6           HA       GLU   6  14.716   4.197   0.687
   45   1HB   GLU   6          2HB       GLU   6  15.202   7.199   0.465
   46   2HB   GLU   6          3HB       GLU   6  14.230   6.430   1.727
   47   1HG   GLU   6          2HG       GLU   6  16.217   5.023   2.349
   48   2HG   GLU   6          3HG       GLU   6  17.189   5.952   1.205
   49    H    LEU   7           H        LEU   7  13.897   6.618  -1.848
   50    HA   LEU   7           HA       LEU   7  11.102   6.626  -1.389
   51   1HB   LEU   7          2HB       LEU   7  12.382   8.268  -2.779
   52   2HB   LEU   7          3HB       LEU   7  12.646   7.013  -3.989
   53    HG   LEU   7           HG       LEU   7  10.157   6.856  -4.331
   54   1HD1  LEU   7          1HD1      LEU   7  10.133   9.260  -2.445
   55   2HD1  LEU   7          2HD1      LEU   7   8.778   8.775  -3.485
   56   3HD1  LEU   7          3HD1      LEU   7   9.320   7.701  -2.187
   57   1HD2  LEU   7          1HD2      LEU   7  11.593   8.230  -5.784
   58   2HD2  LEU   7          2HD2      LEU   7   9.992   8.960  -5.590
   59   3HD2  LEU   7          3HD2      LEU   7  11.385   9.619  -4.697
   60    H    ASP   8           H        ASP   8  13.134   4.555  -3.526
   61    HA   ASP   8           HA       ASP   8  10.978   2.998  -4.580
   62   1HB   ASP   8          2HB       ASP   8  13.127   3.027  -5.676
   63   2HB   ASP   8          3HB       ASP   8  13.945   2.469  -4.221
   64    H    ALA   9           H        ALA   9  12.999   2.559  -1.623
   65    HA   ALA   9           HA       ALA   9  11.851   0.008  -0.968
   66   1HB   ALA   9          1HB       ALA   9  12.811   0.424   1.277
   67   2HB   ALA   9          2HB       ALA   9  13.990   0.785   0.001
   68   3HB   ALA   9          3HB       ALA   9  13.145   2.110   0.837
   69    H    ALA  10           H        ALA  10  10.999   3.400  -0.114
   70    HA   ALA  10           HA       ALA  10   8.785   2.755   1.562
   71   1HB   ALA  10          1HB       ALA  10   8.083   5.078   1.115
   72   2HB   ALA  10          2HB       ALA  10   9.802   4.980   1.535
   73   3HB   ALA  10          3HB       ALA  10   9.312   5.219  -0.155
   74    H    LEU  11           H        LEU  11   9.026   3.207  -2.021
   75    HA   LEU  11           HA       LEU  11   6.250   2.828  -2.541
   76   1HB   LEU  11          2HB       LEU  11   7.837   3.681  -4.234
   77   2HB   LEU  11          3HB       LEU  11   8.679   2.134  -4.244
   78    HG   LEU  11           HG       LEU  11   6.634   1.001  -5.115
   79   1HD1  LEU  11          1HD1      LEU  11   5.514   3.830  -5.107
   80   2HD1  LEU  11          2HD1      LEU  11   4.811   2.490  -6.041
   81   3HD1  LEU  11          3HD1      LEU  11   4.846   2.406  -4.280
   82   1HD2  LEU  11          1HD2      LEU  11   6.757   1.976  -7.381
   83   2HD2  LEU  11          2HD2      LEU  11   7.608   3.387  -6.718
   84   3HD2  LEU  11          3HD2      LEU  11   8.358   1.781  -6.648
   85    H    LYS  12           H        LYS  12   8.921   0.413  -2.342
   86    HA   LYS  12           HA       LYS  12   7.273  -1.827  -2.857
   87   1HB   LYS  12          2HB       LYS  12   9.712  -1.943  -2.871
   88   2HB   LYS  12          3HB       LYS  12   9.791  -1.522  -1.157
   89   1HG   LYS  12          2HG       LYS  12   8.660  -3.634  -0.562
   90   2HG   LYS  12          3HG       LYS  12   8.576  -4.080  -2.280
   91   1HD   LYS  12          2HD       LYS  12  11.032  -4.051  -2.423
   92   2HD   LYS  12          3HD       LYS  12  11.166  -3.520  -0.744
   93   1HE   LYS  12          2HE       LYS  12   9.909  -6.151  -1.643
   94   2HE   LYS  12          3HE       LYS  12  11.587  -5.965  -1.123
   95   1HZ   LYS  12          1HZ       LYS  12  10.241  -6.735   0.688
   96   2HZ   LYS  12          2HZ       LYS  12  10.762  -5.237   1.048
   97   3HZ   LYS  12          3HZ       LYS  12   9.200  -5.483   0.588
   98    H    LYS  13           H        LYS  13   8.073  -0.267   0.309
   99    HA   LYS  13           HA       LYS  13   6.459  -2.003   1.848
  100   1HB   LYS  13          2HB       LYS  13   8.154  -0.432   2.769
  101   2HB   LYS  13          3HB       LYS  13   7.132   0.936   2.341
  102   1HG   LYS  13          2HG       LYS  13   7.005   0.404   4.723
  103   2HG   LYS  13          3HG       LYS  13   5.431   0.235   3.950
  104   1HD   LYS  13          2HD       LYS  13   5.607  -2.190   3.938
  105   2HD   LYS  13          3HD       LYS  13   7.283  -2.136   4.496
  106   1HE   LYS  13          2HE       LYS  13   4.897  -1.081   6.089
  107   2HE   LYS  13          3HE       LYS  13   5.520  -2.726   6.230
  108   1HZ   LYS  13          1HZ       LYS  13   7.640  -1.819   6.961
  109   2HZ   LYS  13          2HZ       LYS  13   7.081  -0.285   6.854
  110   3HZ   LYS  13          3HZ       LYS  13   6.443  -1.320   7.940
  111    H    ALA  14           H        ALA  14   5.566   1.098   0.203
  112    HA   ALA  14           HA       ALA  14   2.895   1.148   1.090
  113   1HB   ALA  14          1HB       ALA  14   3.969   2.147  -1.580
  114   2HB   ALA  14          2HB       ALA  14   2.474   2.645  -0.766
  115   3HB   ALA  14          3HB       ALA  14   4.045   3.041  -0.043
  116    H    LYS  15           H        LYS  15   4.312  -0.509  -1.804
  117    HA   LYS  15           HA       LYS  15   1.811  -1.480  -2.790
  118   1HB   LYS  15          2HB       LYS  15   4.676  -2.458  -3.111
  119   2HB   LYS  15          3HB       LYS  15   3.299  -3.261  -3.878
  120   1HG   LYS  15          2HG       LYS  15   2.687  -1.260  -5.084
  121   2HG   LYS  15          3HG       LYS  15   3.956  -0.311  -4.288
  122   1HD   LYS  15          2HD       LYS  15   5.689  -1.713  -5.337
  123   2HD   LYS  15          3HD       LYS  15   4.435  -2.741  -6.070
  124   1HE   LYS  15          2HE       LYS  15   3.544  -0.750  -7.288
  125   2HE   LYS  15          3HE       LYS  15   4.840   0.238  -6.608
  126   1HZ   LYS  15          1HZ       LYS  15   6.437  -1.200  -7.778
  127   2HZ   LYS  15          2HZ       LYS  15   5.222  -2.095  -8.404
  128   3HZ   LYS  15          3HZ       LYS  15   5.386  -0.535  -8.835
  129    H    GLU  16           H        GLU  16   4.147  -2.947  -0.460
  130    HA   GLU  16           HA       GLU  16   2.681  -5.372  -0.126
  131   1HB   GLU  16          2HB       GLU  16   4.567  -3.859   1.736
  132   2HB   GLU  16          3HB       GLU  16   3.839  -5.417   2.144
  133   1HG   GLU  16          2HG       GLU  16   4.836  -6.429   0.116
  134   2HG   GLU  16          3HG       GLU  16   5.590  -4.888  -0.286
  135    H    LEU  17           H        LEU  17   2.541  -2.273   1.700
  136    HA   LEU  17           HA       LEU  17   0.498  -3.039   3.511
  137   1HB   LEU  17          2HB       LEU  17   1.277  -0.338   2.345
  138   2HB   LEU  17          3HB       LEU  17   0.064  -0.512   3.607
  139    HG   LEU  17           HG       LEU  17   2.928  -1.519   3.928
  140   1HD1  LEU  17          1HD1      LEU  17   2.965   0.909   3.563
  141   2HD1  LEU  17          2HD1      LEU  17   1.698   1.140   4.785
  142   3HD1  LEU  17          3HD1      LEU  17   3.303   0.552   5.263
  143   1HD2  LEU  17          1HD2      LEU  17   2.386  -1.433   6.346
  144   2HD2  LEU  17          2HD2      LEU  17   0.721  -0.965   5.957
  145   3HD2  LEU  17          3HD2      LEU  17   1.345  -2.565   5.485
  146    H    ALA  18           H        ALA  18   0.249  -1.447   0.303
  147    HA   ALA  18           HA       ALA  18  -2.551  -1.225   0.162
  148   1HB   ALA  18          1HB       ALA  18  -0.516  -1.595  -2.068
  149   2HB   ALA  18          2HB       ALA  18  -2.172  -0.999  -2.261
  150   3HB   ALA  18          3HB       ALA  18  -1.000  -0.044  -1.338
  151    H    SER  19           H        SER  19  -0.614  -4.110  -0.007
  152    HA   SER  19           HA       SER  19  -2.791  -5.634  -1.353
  153   1HB   SER  19          2HB       SER  19   0.109  -6.411  -0.863
  154   2HB   SER  19          3HB       SER  19  -1.074  -7.249  -1.883
  155    HG   SER  19           HG       SER  19   0.185  -4.739  -2.262
  156    H    SER  20           H        SER  20  -1.773  -4.882   1.774
  157    HA   SER  20           HA       SER  20  -1.761  -7.543   2.915
  158   1HB   SER  20          2HB       SER  20  -1.849  -4.762   4.140
  159   2HB   SER  20          3HB       SER  20  -1.625  -6.259   5.056
  160    HG   SER  20           HG       SER  20   0.077  -5.454   2.906
  161    H    ALA  21           H        ALA  21  -4.387  -5.517   1.957
  162    HA   ALA  21           HA       ALA  21  -6.318  -7.243   3.294
  163   1HB   ALA  21          1HB       ALA  21  -7.541  -5.250   4.282
  164   2HB   ALA  21          2HB       ALA  21  -5.967  -5.539   5.036
  165   3HB   ALA  21          3HB       ALA  21  -6.166  -4.236   3.843
  166    HA   PRO  22           HA       PRO  22  -8.397  -6.279  -0.513
  167   1HB   PRO  22          2HB       PRO  22 -11.081  -6.304   0.096
  168   2HB   PRO  22          3HB       PRO  22 -10.059  -7.770   0.039
  169   1HG   PRO  22          2HG       PRO  22 -10.800  -6.118   2.477
  170   2HG   PRO  22          3HG       PRO  22 -10.920  -7.897   2.269
  171   1HD   PRO  22          2HD       PRO  22  -8.805  -6.795   3.517
  172   2HD   PRO  22          3HD       PRO  22  -8.559  -8.151   2.384
  173    H    VAL  23           H        VAL  23  -8.732  -4.070   2.174
  174    HA   VAL  23           HA       VAL  23  -9.114  -1.855   0.286
  175    HB   VAL  23           HB       VAL  23 -10.671  -2.129   2.892
  176   1HG1  VAL  23          1HG1      VAL  23 -11.807  -0.021   2.124
  177   2HG1  VAL  23          2HG1      VAL  23 -10.101   0.203   2.514
  178   3HG1  VAL  23          3HG1      VAL  23 -10.609   0.106   0.822
  179   1HG2  VAL  23          1HG2      VAL  23 -11.693  -3.543   1.205
  180   2HG2  VAL  23          2HG2      VAL  23 -12.705  -2.149   1.557
  181   3HG2  VAL  23          3HG2      VAL  23 -11.742  -2.195   0.056
  182    H    VAL  24           H        VAL  24  -7.714  -0.196   0.867
  183    HA   VAL  24           HA       VAL  24  -6.396  -0.319   3.509
  184    HB   VAL  24           HB       VAL  24  -4.857  -0.141   0.888
  185   1HG1  VAL  24          1HG1      VAL  24  -3.919  -0.360   3.789
  186   2HG1  VAL  24          2HG1      VAL  24  -2.869  -0.391   2.360
  187   3HG1  VAL  24          3HG1      VAL  24  -3.771   1.070   2.742
  188   1HG2  VAL  24          1HG2      VAL  24  -5.109  -2.485   2.819
  189   2HG2  VAL  24          2HG2      VAL  24  -5.648  -2.446   1.124
  190   3HG2  VAL  24          3HG2      VAL  24  -3.943  -2.382   1.499
  191    H    VAL  25           H        VAL  25  -6.090   1.721   4.320
  192    HA   VAL  25           HA       VAL  25  -6.566   4.029   2.498
  193    HB   VAL  25           HB       VAL  25  -7.360   4.032   5.417
  194   1HG1  VAL  25          1HG1      VAL  25  -8.428   5.521   2.986
  195   2HG1  VAL  25          2HG1      VAL  25  -8.821   5.839   4.692
  196   3HG1  VAL  25          3HG1      VAL  25  -7.191   6.156   4.077
  197   1HG2  VAL  25          1HG2      VAL  25  -9.135   3.057   3.146
  198   2HG2  VAL  25          2HG2      VAL  25  -8.649   2.149   4.593
  199   3HG2  VAL  25          3HG2      VAL  25  -9.705   3.548   4.756
  200    H    PHE  26           H        PHE  26  -4.702   5.146   2.295
  201    HA   PHE  26           HA       PHE  26  -2.713   5.170   4.515
  202   1HB   PHE  26          2HB       PHE  26  -2.635   6.450   1.757
  203   2HB   PHE  26          3HB       PHE  26  -1.350   6.492   2.954
  204    HD1  PHE  26           1HD      PHE  26  -2.937   4.526   0.313
  205    HD2  PHE  26           2HD      PHE  26  -0.198   4.320   3.637
  206    HE1  PHE  26           1HE      PHE  26  -2.049   2.380  -0.553
  207    HE2  PHE  26           2HE      PHE  26   0.686   2.171   2.769
  208    HZ   PHE  26           HZ       PHE  26  -0.241   1.195   0.678
  209    H    SER  27           H        SER  27  -2.865   6.797   5.980
  210    HA   SER  27           HA       SER  27  -4.602   9.154   5.478
  211   1HB   SER  27          2HB       SER  27  -5.000   6.891   7.471
  212   2HB   SER  27          3HB       SER  27  -5.684   8.494   7.756
  213    HG   SER  27           HG       SER  27  -7.111   7.055   6.633
  214    H    LYS  28           H        LYS  28  -4.677  10.283   7.902
  215    HA   LYS  28           HA       LYS  28  -2.051  10.097   9.221
  216   1HB   LYS  28          2HB       LYS  28  -3.235  12.569   7.977
  217   2HB   LYS  28          3HB       LYS  28  -2.361  12.724   9.508
  218   1HG   LYS  28          2HG       LYS  28  -0.375  11.698   8.555
  219   2HG   LYS  28          3HG       LYS  28  -1.195  11.373   7.037
  220   1HD   LYS  28          2HD       LYS  28   0.435  13.291   7.080
  221   2HD   LYS  28          3HD       LYS  28  -1.111  13.636   6.351
  222   1HE   LYS  28          2HE       LYS  28  -0.710  14.282   9.270
  223   2HE   LYS  28          3HE       LYS  28   0.081  15.284   8.047
  224   1HZ   LYS  28          1HZ       LYS  28  -2.063  15.766   7.083
  225   2HZ   LYS  28          2HZ       LYS  28  -2.865  14.875   8.205
  226   3HZ   LYS  28          3HZ       LYS  28  -2.036  16.204   8.653
  227    H    THR  29           H        THR  29  -2.266  11.320  11.410
  228    HA   THR  29           HA       THR  29  -4.070   9.709  12.820
  229    HB   THR  29           HB       THR  29  -3.041  11.234  14.730
  230    HG1  THR  29           1HG      THR  29  -1.174  12.285  14.011
  231   1HG2  THR  29          1HG2      THR  29  -0.954   9.970  14.626
  232   2HG2  THR  29          2HG2      THR  29  -2.316   8.919  14.223
  233   3HG2  THR  29          3HG2      THR  29  -1.257   9.524  12.931
  234    H    TYR  30           H        TYR  30  -4.653  13.012  11.695
  235    HA   TYR  30           HA       TYR  30  -6.930  13.177  13.634
  236   1HB   TYR  30          2HB       TYR  30  -6.335  15.489  14.044
  237   2HB   TYR  30          3HB       TYR  30  -4.988  14.437  14.441
  238    HD1  TYR  30           1HD      TYR  30  -2.915  14.447  13.076
  239    HD2  TYR  30           2HD      TYR  30  -6.240  17.026  12.106
  240    HE1  TYR  30           1HE      TYR  30  -1.490  15.672  11.466
  241    HE2  TYR  30           2HE      TYR  30  -4.836  18.234  10.472
  242    HH   TYR  30           HH       TYR  30  -2.711  18.442   9.525
  243    H    CYS  31           H        CYS  31  -5.898  13.757  10.299
  244    HA   CYS  31           HA       CYS  31  -7.450  15.837   9.605
  245   1HB   CYS  31          2HB       CYS  31  -6.882  13.440   7.836
  246   2HB   CYS  31          3HB       CYS  31  -7.029  15.143   7.355
  247    H    GLY  32           H        GLY  32  -9.519  16.278   9.249
  248   1HA   GLY  32          1HA       GLY  32 -11.637  14.607  10.012
  249   2HA   GLY  32          2HA       GLY  32 -11.782  16.076   9.026
  250    H    TYR  33           H        TYR  33 -10.241  15.186   6.746
  251    HA   TYR  33           HA       TYR  33 -12.196  13.687   5.313
  252   1HB   TYR  33          2HB       TYR  33  -9.272  14.237   4.676
  253   2HB   TYR  33          3HB       TYR  33 -10.443  13.560   3.554
  254    HD1  TYR  33           1HD      TYR  33 -12.659  14.968   3.174
  255    HD2  TYR  33           2HD      TYR  33  -8.943  16.585   4.670
  256    HE1  TYR  33           1HE      TYR  33 -13.358  17.233   2.459
  257    HE2  TYR  33           2HE      TYR  33  -9.637  18.848   3.966
  258    HH   TYR  33           HH       TYR  33 -11.298  20.138   2.959
  259    H    CYS  34           H        CYS  34  -9.143  12.653   6.949
  260    HA   CYS  34           HA       CYS  34  -9.247   9.939   5.984
  261   1HB   CYS  34          2HB       CYS  34  -7.972  11.157   8.484
  262   2HB   CYS  34          3HB       CYS  34  -7.773   9.479   7.964
  263    HG   CYS  34           HG       CYS  34  -6.689   9.870   5.737
  264    H    ASN  35           H        ASN  35 -10.479  11.544   8.981
  265    HA   ASN  35           HA       ASN  35 -11.746   9.223  10.040
  266   1HB   ASN  35          2HB       ASN  35 -11.546  11.225  11.399
  267   2HB   ASN  35          3HB       ASN  35 -12.532  12.155  10.268
  268   1HD2  ASN  35          2HD2      ASN  35 -14.737  12.269  10.724
  269   2HD2  ASN  35          1HD2      ASN  35 -15.578  11.166  11.776
  270    H    ARG  36           H        ARG  36 -13.001  11.635   7.661
  271    HA   ARG  36           HA       ARG  36 -15.585  10.535   7.482
  272   1HB   ARG  36          2HB       ARG  36 -14.810  12.748   6.546
  273   2HB   ARG  36          3HB       ARG  36 -14.056  11.872   5.203
  274   1HG   ARG  36          2HG       ARG  36 -16.282  10.944   4.570
  275   2HG   ARG  36          3HG       ARG  36 -17.014  11.791   5.948
  276   1HD   ARG  36          2HD       ARG  36 -16.242  13.964   4.961
  277   2HD   ARG  36          3HD       ARG  36 -15.642  13.069   3.546
  278    HE   ARG  36           HE       ARG  36 -18.372  12.394   4.022
  279   1HH1  ARG  36          1HH2      ARG  36 -16.445  15.137   2.850
  280   2HH1  ARG  36          2HH2      ARG  36 -17.725  15.823   1.923
  281   1HH2  ARG  36          1HH1      ARG  36 -20.088  13.322   2.807
  282   2HH2  ARG  36          2HH1      ARG  36 -19.843  14.765   1.903
  283    H    VAL  37           H        VAL  37 -12.646   9.667   5.519
  284    HA   VAL  37           HA       VAL  37 -14.045   7.718   3.956
  285    HB   VAL  37           HB       VAL  37 -11.098   8.037   4.666
  286   1HG1  VAL  37          1HG1      VAL  37 -11.403   5.681   4.076
  287   2HG1  VAL  37          2HG1      VAL  37 -12.375   6.122   2.657
  288   3HG1  VAL  37          3HG1      VAL  37 -10.645   6.528   2.732
  289   1HG2  VAL  37          1HG2      VAL  37 -12.038   9.851   3.307
  290   2HG2  VAL  37          2HG2      VAL  37 -11.015   8.829   2.281
  291   3HG2  VAL  37          3HG2      VAL  37 -12.783   8.686   2.207
  292    H    LYS  38           H        LYS  38 -12.116   7.353   6.982
  293    HA   LYS  38           HA       LYS  38 -12.464   4.572   7.305
  294   1HB   LYS  38          2HB       LYS  38 -12.289   6.801   9.376
  295   2HB   LYS  38          3HB       LYS  38 -12.230   5.085   9.780
  296   1HG   LYS  38          2HG       LYS  38 -10.164   4.757   8.586
  297   2HG   LYS  38          3HG       LYS  38 -10.274   6.325   7.798
  298   1HD   LYS  38          2HD       LYS  38  -8.626   6.524   9.514
  299   2HD   LYS  38          3HD       LYS  38 -10.036   7.454  10.017
  300   1HE   LYS  38          2HE       LYS  38 -10.748   5.514  11.462
  301   2HE   LYS  38          3HE       LYS  38  -9.284   4.651  10.978
  302   1HZ   LYS  38          1HZ       LYS  38  -9.347   7.209  12.473
  303   2HZ   LYS  38          2HZ       LYS  38  -8.981   5.750  13.092
  304   3HZ   LYS  38          3HZ       LYS  38  -7.969   6.448  12.016
  305    H    GLN  39           H        GLN  39 -14.667   7.231   8.426
  306    HA   GLN  39           HA       GLN  39 -16.615   5.406   9.453
  307   1HB   GLN  39          2HB       GLN  39 -16.806   8.312   8.567
  308   2HB   GLN  39          3HB       GLN  39 -18.158   7.434   9.272
  309   1HG   GLN  39          2HG       GLN  39 -15.482   7.926  10.637
  310   2HG   GLN  39          3HG       GLN  39 -16.971   8.804  10.950
  311   1HE2  GLN  39          2HE2      GLN  39 -15.416   7.376  12.926
  312   2HE2  GLN  39          1HE2      GLN  39 -16.421   6.089  13.550
  313    H    LEU  40           H        LEU  40 -16.278   6.901   6.185
  314    HA   LEU  40           HA       LEU  40 -18.769   6.122   5.163
  315   1HB   LEU  40          2HB       LEU  40 -16.963   7.625   4.120
  316   2HB   LEU  40          3HB       LEU  40 -16.128   6.155   3.640
  317    HG   LEU  40           HG       LEU  40 -18.236   5.540   2.288
  318   1HD1  LEU  40          1HD1      LEU  40 -19.901   6.963   3.370
  319   2HD1  LEU  40          2HD1      LEU  40 -18.946   8.420   3.014
  320   3HD1  LEU  40          3HD1      LEU  40 -19.690   7.499   1.698
  321   1HD2  LEU  40          1HD2      LEU  40 -17.654   7.051   0.472
  322   2HD2  LEU  40          2HD2      LEU  40 -16.757   8.100   1.598
  323   3HD2  LEU  40          3HD2      LEU  40 -16.204   6.441   1.276
  324    H    LEU  41           H        LEU  41 -15.670   4.347   5.249
  325    HA   LEU  41           HA       LEU  41 -16.649   1.934   4.003
  326   1HB   LEU  41          2HB       LEU  41 -14.253   2.560   5.781
  327   2HB   LEU  41          3HB       LEU  41 -14.513   0.992   5.028
  328    HG   LEU  41           HG       LEU  41 -14.265   3.586   3.444
  329   1HD1  LEU  41          1HD1      LEU  41 -12.167   1.466   4.054
  330   2HD1  LEU  41          2HD1      LEU  41 -11.968   2.839   2.937
  331   3HD1  LEU  41          3HD1      LEU  41 -12.198   3.130   4.669
  332   1HD2  LEU  41          1HD2      LEU  41 -14.220   0.656   2.600
  333   2HD2  LEU  41          2HD2      LEU  41 -15.460   1.865   2.202
  334   3HD2  LEU  41          3HD2      LEU  41 -13.832   2.032   1.542
  335    H    THR  42           H        THR  42 -16.252   2.959   7.417
  336    HA   THR  42           HA       THR  42 -16.899   0.461   8.585
  337    HB   THR  42           HB       THR  42 -17.364   3.280   9.651
  338    HG1  THR  42           1HG      THR  42 -15.242   2.999   9.177
  339   1HG2  THR  42          1HG2      THR  42 -17.141   2.237  11.892
  340   2HG2  THR  42          2HG2      THR  42 -18.582   1.675  11.033
  341   3HG2  THR  42          3HG2      THR  42 -17.147   0.626  11.134
  342    H    GLN  43           H        GLN  43 -19.056   3.180   7.545
  343    HA   GLN  43           HA       GLN  43 -21.379   2.081   8.731
  344   1HB   GLN  43          2HB       GLN  43 -20.646   4.312   6.903
  345   2HB   GLN  43          3HB       GLN  43 -22.259   3.686   6.638
  346   1HG   GLN  43          2HG       GLN  43 -22.132   5.568   8.250
  347   2HG   GLN  43          3HG       GLN  43 -22.969   4.121   8.825
  348   1HE2  GLN  43          2HE2      GLN  43 -19.504   5.262   8.884
  349   2HE2  GLN  43          1HE2      GLN  43 -19.347   5.161  10.623
  350    H    VAL  44           H        VAL  44 -19.925   1.458   5.506
  351    HA   VAL  44           HA       VAL  44 -22.273  -0.140   4.738
  352    HB   VAL  44           HB       VAL  44 -21.027  -0.638   2.687
  353   1HG1  VAL  44          1HG1      VAL  44 -21.086   2.339   3.341
  354   2HG1  VAL  44          2HG1      VAL  44 -21.140   1.596   1.731
  355   3HG1  VAL  44          3HG1      VAL  44 -22.486   1.354   2.857
  356   1HG2  VAL  44          1HG2      VAL  44 -18.953   0.513   2.126
  357   2HG2  VAL  44          2HG2      VAL  44 -18.856   1.220   3.740
  358   3HG2  VAL  44          3HG2      VAL  44 -18.692  -0.535   3.530
  359    H    GLY  45           H        GLY  45 -19.758  -0.692   6.887
  360   1HA   GLY  45          1HA       GLY  45 -19.177  -2.597   7.992
  361   2HA   GLY  45          2HA       GLY  45 -20.292  -3.532   6.980
  362    H    ALA  46           H        ALA  46 -17.667  -1.480   5.654
  363    HA   ALA  46           HA       ALA  46 -16.465  -3.822   4.333
  364   1HB   ALA  46          1HB       ALA  46 -14.956  -2.145   3.341
  365   2HB   ALA  46          2HB       ALA  46 -16.660  -1.736   3.066
  366   3HB   ALA  46          3HB       ALA  46 -15.729  -0.871   4.305
  367    H    SER  47           H        SER  47 -14.773  -4.916   5.147
  368    HA   SER  47           HA       SER  47 -13.349  -4.015   7.556
  369   1HB   SER  47          2HB       SER  47 -12.812  -6.307   5.604
  370   2HB   SER  47          3HB       SER  47 -12.050  -6.079   7.191
  371    HG   SER  47           HG       SER  47 -13.805  -7.561   7.260
  372    H    TYR  48           H        TYR  48 -11.282  -2.976   7.477
  373    HA   TYR  48           HA       TYR  48  -9.883  -2.738   4.913
  374   1HB   TYR  48          2HB       TYR  48  -9.793  -0.273   5.025
  375   2HB   TYR  48          3HB       TYR  48 -11.415  -0.864   4.744
  376    HD1  TYR  48           1HD      TYR  48  -9.203   0.824   7.261
  377    HD2  TYR  48           2HD      TYR  48 -13.193  -0.526   6.317
  378    HE1  TYR  48           1HE      TYR  48 -10.109   2.166   9.127
  379    HE2  TYR  48           2HE      TYR  48 -14.099   0.794   8.195
  380    HH   TYR  48           HH       TYR  48 -13.603   2.205   9.965
  381    H    LYS  49           H        LYS  49  -7.783  -1.890   5.133
  382    HA   LYS  49           HA       LYS  49  -6.625  -1.923   7.890
  383   1HB   LYS  49          2HB       LYS  49  -5.618  -3.480   6.228
  384   2HB   LYS  49          3HB       LYS  49  -5.301  -2.121   5.138
  385   1HG   LYS  49          2HG       LYS  49  -3.749  -1.143   6.807
  386   2HG   LYS  49          3HG       LYS  49  -4.137  -2.458   7.937
  387   1HD   LYS  49          2HD       LYS  49  -3.234  -4.103   6.262
  388   2HD   LYS  49          3HD       LYS  49  -2.848  -2.753   5.188
  389   1HE   LYS  49          2HE       LYS  49  -0.821  -3.380   6.295
  390   2HE   LYS  49          3HE       LYS  49  -1.323  -1.815   6.937
  391   1HZ   LYS  49          1HZ       LYS  49  -1.732  -4.430   8.290
  392   2HZ   LYS  49          2HZ       LYS  49  -0.599  -3.332   8.683
  393   3HZ   LYS  49          3HZ       LYS  49  -2.171  -2.978   8.905
  394    H    VAL  50           H        VAL  50  -5.396   0.021   8.463
  395    HA   VAL  50           HA       VAL  50  -5.469   2.223   6.555
  396    HB   VAL  50           HB       VAL  50  -7.535   2.642   7.530
  397   1HG1  VAL  50          1HG1      VAL  50  -6.365   2.045  10.262
  398   2HG1  VAL  50          2HG1      VAL  50  -7.943   2.814  10.000
  399   3HG1  VAL  50          3HG1      VAL  50  -7.667   1.183   9.393
  400   1HG2  VAL  50          1HG2      VAL  50  -5.641   4.387   9.136
  401   2HG2  VAL  50          2HG2      VAL  50  -6.065   4.635   7.426
  402   3HG2  VAL  50          3HG2      VAL  50  -7.314   4.749   8.670
  403    H    VAL  51           H        VAL  51  -3.798   3.645   6.842
  404    HA   VAL  51           HA       VAL  51  -1.750   2.902   8.875
  405    HB   VAL  51           HB       VAL  51  -1.152   3.500   5.949
  406   1HG1  VAL  51          1HG1      VAL  51   0.514   2.169   8.140
  407   2HG1  VAL  51          2HG1      VAL  51   1.054   2.619   6.507
  408   3HG1  VAL  51          3HG1      VAL  51   0.643   3.876   7.681
  409   1HG2  VAL  51          1HG2      VAL  51  -0.679   1.081   5.660
  410   2HG2  VAL  51          2HG2      VAL  51  -1.411   0.755   7.250
  411   3HG2  VAL  51          3HG2      VAL  51  -2.392   1.398   5.908
  412    H    GLU  52           H        GLU  52  -2.004   4.671  10.145
  413    HA   GLU  52           HA       GLU  52  -2.427   7.332   9.007
  414   1HB   GLU  52          2HB       GLU  52  -2.226   6.323  11.863
  415   2HB   GLU  52          3HB       GLU  52  -2.470   8.027  11.404
  416   1HG   GLU  52          2HG       GLU  52  -4.506   7.419  10.140
  417   2HG   GLU  52          3HG       GLU  52  -4.295   5.725  10.573
  418    H    LEU  53           H        LEU  53  -0.675   7.746   7.831
  419    HA   LEU  53           HA       LEU  53   1.914   6.898   8.166
  420   1HB   LEU  53          2HB       LEU  53   0.931   9.439   6.805
  421   2HB   LEU  53          3HB       LEU  53   2.525   8.731   6.579
  422    HG   LEU  53           HG       LEU  53  -0.124   7.457   5.768
  423   1HD1  LEU  53          1HD1      LEU  53   0.711   7.785   3.479
  424   2HD1  LEU  53          2HD1      LEU  53   0.605   9.329   4.334
  425   3HD1  LEU  53          3HD1      LEU  53   2.188   8.545   4.111
  426   1HD2  LEU  53          1HD2      LEU  53   2.724   6.408   5.539
  427   2HD2  LEU  53          2HD2      LEU  53   1.359   5.657   6.392
  428   3HD2  LEU  53          3HD2      LEU  53   1.344   5.750   4.634
  429    H    ASP  54           H        ASP  54   0.508   9.760   9.737
  430    HA   ASP  54           HA       ASP  54   2.937  11.091  10.336
  431   1HB   ASP  54          2HB       ASP  54   0.697  12.101  10.617
  432   2HB   ASP  54          3HB       ASP  54   0.352  10.986  11.940
  433    H    GLU  55           H        GLU  55   1.596   8.157  11.726
  434    HA   GLU  55           HA       GLU  55   3.642   8.184  13.906
  435   1HB   GLU  55          2HB       GLU  55   0.899   6.918  13.627
  436   2HB   GLU  55          3HB       GLU  55   2.065   6.285  14.783
  437   1HG   GLU  55          2HG       GLU  55   1.246   9.212  14.755
  438   2HG   GLU  55          3HG       GLU  55   0.386   7.979  15.670
  439    H    LEU  56           H        LEU  56   3.324   7.087  10.794
  440    HA   LEU  56           HA       LEU  56   4.349   4.362  11.204
  441   1HB   LEU  56          2HB       LEU  56   2.937   4.958   9.216
  442   2HB   LEU  56          3HB       LEU  56   4.196   6.085   8.696
  443    HG   LEU  56           HG       LEU  56   5.798   4.155   8.501
  444   1HD1  LEU  56          1HD1      LEU  56   3.309   2.464   9.023
  445   2HD1  LEU  56          2HD1      LEU  56   4.861   1.851   8.416
  446   3HD1  LEU  56          3HD1      LEU  56   4.763   2.523  10.042
  447   1HD2  LEU  56          1HD2      LEU  56   4.840   3.270   6.434
  448   2HD2  LEU  56          2HD2      LEU  56   3.243   3.913   6.879
  449   3HD2  LEU  56          3HD2      LEU  56   4.600   5.019   6.562
  450    H    SER  57           H        SER  57   6.530   3.805  11.085
  451    HA   SER  57           HA       SER  57   8.423   5.548  11.996
  452   1HB   SER  57          2HB       SER  57   9.009   3.048  10.375
  453   2HB   SER  57          3HB       SER  57   9.936   3.714  11.732
  454    HG   SER  57           HG       SER  57   8.628   1.950  12.374
  455    H    ASP  58           H        ASP  58   7.470   5.274   8.625
  456    HA   ASP  58           HA       ASP  58   9.722   7.046   7.844
  457   1HB   ASP  58          2HB       ASP  58  10.209   4.608   7.351
  458   2HB   ASP  58          3HB       ASP  58   8.815   4.605   6.270
  459    H    GLY  59           H        GLY  59   6.911   7.509   8.504
  460   1HA   GLY  59          1HA       GLY  59   4.970   7.434   6.640
  461   2HA   GLY  59          2HA       GLY  59   5.166   8.758   7.794
  462    H    SER  60           H        SER  60   7.221  10.288   6.888
  463    HA   SER  60           HA       SER  60   6.058  11.733   4.811
  464   1HB   SER  60          2HB       SER  60   9.011  11.760   5.533
  465   2HB   SER  60          3HB       SER  60   8.037  13.095   4.887
  466    HG   SER  60           HG       SER  60   8.350  13.252   7.159
  467    H    GLN  61           H        GLN  61   8.647   9.243   4.571
  468    HA   GLN  61           HA       GLN  61   9.009   9.781   1.712
  469   1HB   GLN  61          2HB       GLN  61  10.068   7.492   3.393
  470   2HB   GLN  61          3HB       GLN  61  10.520   7.875   1.726
  471   1HG   GLN  61          2HG       GLN  61  11.214  10.196   2.584
  472   2HG   GLN  61          3HG       GLN  61  11.052   9.547   4.218
  473   1HE2  GLN  61          2HE2      GLN  61  12.378   7.444   4.643
  474   2HE2  GLN  61          1HE2      GLN  61  14.020   7.462   3.963
  475    H    LEU  62           H        LEU  62   7.115   7.563   3.756
  476    HA   LEU  62           HA       LEU  62   6.131   5.893   1.668
  477   1HB   LEU  62          2HB       LEU  62   5.927   5.863   4.349
  478   2HB   LEU  62          3HB       LEU  62   4.433   6.714   4.024
  479    HG   LEU  62           HG       LEU  62   4.013   4.384   4.338
  480   1HD1  LEU  62          1HD1      LEU  62   2.656   5.526   2.573
  481   2HD1  LEU  62          2HD1      LEU  62   3.762   4.857   1.355
  482   3HD1  LEU  62          3HD1      LEU  62   2.785   3.772   2.358
  483   1HD2  LEU  62          1HD2      LEU  62   4.950   2.597   2.979
  484   2HD2  LEU  62          2HD2      LEU  62   5.915   3.758   2.052
  485   3HD2  LEU  62          3HD2      LEU  62   6.244   3.506   3.777
  486    H    GLN  63           H        GLN  63   4.849   8.985   3.032
  487    HA   GLN  63           HA       GLN  63   2.695   9.284   1.225
  488   1HB   GLN  63          2HB       GLN  63   2.879  10.669   3.216
  489   2HB   GLN  63          3HB       GLN  63   4.420  11.324   2.686
  490   1HG   GLN  63          2HG       GLN  63   2.743  12.997   2.387
  491   2HG   GLN  63          3HG       GLN  63   3.291  12.501   0.799
  492   1HE2  GLN  63          2HE2      GLN  63   1.813  10.835  -0.379
  493   2HE2  GLN  63          1HE2      GLN  63   0.089  10.926  -0.027
  494    H    SER  64           H        SER  64   6.143  10.281   0.937
  495    HA   SER  64           HA       SER  64   5.860  11.595  -1.574
  496   1HB   SER  64          2HB       SER  64   8.310  10.181  -0.437
  497   2HB   SER  64          3HB       SER  64   8.292  11.408  -1.710
  498    HG   SER  64           HG       SER  64   7.528  11.741   1.027
  499    H    ALA  65           H        ALA  65   6.542   8.144  -0.779
  500    HA   ALA  65           HA       ALA  65   6.909   7.284  -3.470
  501   1HB   ALA  65          1HB       ALA  65   6.408   5.054  -2.595
  502   2HB   ALA  65          2HB       ALA  65   7.548   5.909  -1.541
  503   3HB   ALA  65          3HB       ALA  65   5.841   5.740  -1.063
  504    H    LEU  66           H        LEU  66   3.941   7.494  -1.407
  505    HA   LEU  66           HA       LEU  66   2.152   6.561  -3.403
  506   1HB   LEU  66          2HB       LEU  66   1.898   8.126  -0.867
  507   2HB   LEU  66          3HB       LEU  66   0.647   8.454  -2.043
  508    HG   LEU  66           HG       LEU  66  -0.077   6.764  -0.480
  509   1HD1  LEU  66          1HD1      LEU  66  -0.925   6.658  -2.818
  510   2HD1  LEU  66          2HD1      LEU  66   0.331   5.471  -3.219
  511   3HD1  LEU  66          3HD1      LEU  66  -0.896   5.083  -2.012
  512   1HD2  LEU  66          1HD2      LEU  66   2.110   5.804   0.071
  513   2HD2  LEU  66          2HD2      LEU  66   0.924   4.555  -0.339
  514   3HD2  LEU  66          3HD2      LEU  66   2.186   5.007  -1.512
  515    H    ALA  67           H        ALA  67   3.418   9.875  -2.820
  516    HA   ALA  67           HA       ALA  67   1.796  11.119  -4.785
  517   1HB   ALA  67          1HB       ALA  67   3.240  12.305  -3.021
  518   2HB   ALA  67          2HB       ALA  67   4.649  11.934  -4.022
  519   3HB   ALA  67          3HB       ALA  67   3.369  12.975  -4.662
  520    H    HIS  68           H        HIS  68   5.087   9.759  -5.062
  521    HA   HIS  68           HA       HIS  68   5.448  10.184  -7.839
  522   1HB   HIS  68          2HB       HIS  68   7.376   9.609  -6.712
  523   2HB   HIS  68          3HB       HIS  68   6.576   8.432  -5.682
  524    HD1  HIS  68           1HD      HIS  68   8.149   8.586  -9.202
  525    HD2  HIS  68           2HD      HIS  68   6.415   5.953  -6.408
  526    HE1  HIS  68           1HE      HIS  68   8.589   6.234 -10.076
  527    H    TRP  69           H        TRP  69   3.870   7.484  -6.085
  528    HA   TRP  69           HA       TRP  69   3.619   5.839  -8.411
  529   1HB   TRP  69          2HB       TRP  69   3.941   5.104  -6.078
  530   2HB   TRP  69          3HB       TRP  69   2.351   5.706  -5.651
  531    HD1  TRP  69           HD1      TRP  69   2.581   3.667  -8.868
  532    HE1  TRP  69           HE1      TRP  69   1.546   1.391  -8.518
  533    HE3  TRP  69           HE3      TRP  69   2.053   3.824  -3.779
  534    HZ2  TRP  69           HZ2      TRP  69   0.518  -0.192  -6.294
  535    HZ3  TRP  69           HZ3      TRP  69   1.033   1.908  -2.569
  536    HH2  TRP  69           HH2      TRP  69   0.257  -0.089  -3.819
  537    H    THR  70           H        THR  70   1.342   8.077  -6.781
  538    HA   THR  70           HA       THR  70  -0.802   7.199  -8.687
  539    HB   THR  70           HB       THR  70  -2.367   7.657  -6.896
  540    HG1  THR  70           1HG      THR  70  -0.091   8.239  -5.283
  541   1HG2  THR  70          1HG2      THR  70  -1.874   5.878  -5.343
  542   2HG2  THR  70          2HG2      THR  70  -1.369   5.375  -6.967
  543   3HG2  THR  70          3HG2      THR  70  -0.154   5.889  -5.777
  544    H    GLY  71           H        GLY  71   0.985  10.003  -7.561
  545   1HA   GLY  71          1HA       GLY  71   0.786  12.210  -8.091
  546   2HA   GLY  71          2HA       GLY  71  -0.558  11.841  -9.180
  547    H    ARG  72           H        ARG  72  -1.383  10.447  -6.187
  548    HA   ARG  72           HA       ARG  72  -3.337  12.519  -5.599
  549   1HB   ARG  72          2HB       ARG  72  -3.839  10.172  -5.172
  550   2HB   ARG  72          3HB       ARG  72  -2.432  10.003  -4.131
  551   1HG   ARG  72          2HG       ARG  72  -4.444  10.049  -2.832
  552   2HG   ARG  72          3HG       ARG  72  -3.423  11.422  -2.426
  553   1HD   ARG  72          2HD       ARG  72  -4.901  12.902  -3.738
  554   2HD   ARG  72          3HD       ARG  72  -5.908  11.511  -4.192
  555    HE   ARG  72           HE       ARG  72  -5.915  11.315  -1.483
  556   1HH1  ARG  72          1HH2      ARG  72  -6.538  14.157  -3.522
  557   2HH1  ARG  72          2HH2      ARG  72  -7.598  14.903  -2.384
  558   1HH2  ARG  72          1HH1      ARG  72  -7.219  12.269  -0.001
  559   2HH2  ARG  72          2HH1      ARG  72  -7.980  13.814  -0.282
  560    H    GLY  73           H        GLY  73  -0.374  11.319  -3.978
  561   1HA   GLY  73          1HA       GLY  73   1.108  12.276  -2.557
  562   2HA   GLY  73          2HA       GLY  73   0.859  13.740  -3.526
  563    H    THR  74           H        THR  74  -1.744  12.345  -1.550
  564    HA   THR  74           HA       THR  74  -1.423  14.230   0.668
  565    HB   THR  74           HB       THR  74  -3.869  14.951   0.218
  566    HG1  THR  74           1HG      THR  74  -3.134  14.310  -2.447
  567   1HG2  THR  74          1HG2      THR  74  -1.828  16.083  -1.729
  568   2HG2  THR  74          2HG2      THR  74  -3.287  16.870  -1.099
  569   3HG2  THR  74          3HG2      THR  74  -1.939  16.513  -0.008
  570    H    VAL  75           H        VAL  75  -3.495  13.835   2.105
  571    HA   VAL  75           HA       VAL  75  -4.256  10.976   1.987
  572    HB   VAL  75           HB       VAL  75  -4.330  11.079   4.517
  573   1HG1  VAL  75          1HG1      VAL  75  -1.596  11.247   3.212
  574   2HG1  VAL  75          2HG1      VAL  75  -1.959  10.515   4.782
  575   3HG1  VAL  75          3HG1      VAL  75  -2.623   9.805   3.301
  576   1HG2  VAL  75          1HG2      VAL  75  -2.412  13.425   4.255
  577   2HG2  VAL  75          2HG2      VAL  75  -4.113  13.567   4.766
  578   3HG2  VAL  75          3HG2      VAL  75  -2.986  12.622   5.727
  579    HA   PRO  76           HA       PRO  76  -5.734   9.730   3.319
  580   1HB   PRO  76          2HB       PRO  76  -8.139   8.581   2.705
  581   2HB   PRO  76          3HB       PRO  76  -7.796   9.322   4.291
  582   1HG   PRO  76          2HG       PRO  76  -9.208  10.552   1.912
  583   2HG   PRO  76          3HG       PRO  76  -9.714  10.568   3.630
  584   1HD   PRO  76          2HD       PRO  76  -8.414  12.679   2.462
  585   2HD   PRO  76          3HD       PRO  76  -8.132  12.232   4.170
  586    H    ASN  77           H        ASN  77  -5.575   7.954   1.828
  587    HA   ASN  77           HA       ASN  77  -6.317   8.406  -1.005
  588   1HB   ASN  77          2HB       ASN  77  -3.919   8.884  -0.981
  589   2HB   ASN  77          3HB       ASN  77  -3.612   7.528   0.096
  590   1HD2  ASN  77          2HD2      ASN  77  -5.335   7.999  -3.075
  591   2HD2  ASN  77          1HD2      ASN  77  -4.683   6.531  -3.775
  592    H    VAL  78           H        VAL  78  -7.178   6.471  -1.873
  593    HA   VAL  78           HA       VAL  78  -7.433   4.262   0.115
  594    HB   VAL  78           HB       VAL  78  -9.684   5.059  -1.737
  595   1HG1  VAL  78          1HG1      VAL  78  -9.558   3.726   1.008
  596   2HG1  VAL  78          2HG1      VAL  78 -11.034   4.005   0.075
  597   3HG1  VAL  78          3HG1      VAL  78  -9.809   2.892  -0.540
  598   1HG2  VAL  78          1HG2      VAL  78  -9.325   7.159  -0.594
  599   2HG2  VAL  78          2HG2      VAL  78 -10.694   6.364   0.174
  600   3HG2  VAL  78          3HG2      VAL  78  -9.109   6.339   0.968
  601    H    PHE  79           H        PHE  79  -7.246   2.258  -0.586
  602    HA   PHE  79           HA       PHE  79  -7.073   1.664  -3.494
  603   1HB   PHE  79          2HB       PHE  79  -5.312   0.826  -1.171
  604   2HB   PHE  79          3HB       PHE  79  -5.628  -0.320  -2.452
  605    HD1  PHE  79           1HD      PHE  79  -3.993  -0.536  -4.049
  606    HD2  PHE  79           2HD      PHE  79  -4.574   3.330  -2.220
  607    HE1  PHE  79           1HE      PHE  79  -2.111   0.377  -5.372
  608    HE2  PHE  79           2HE      PHE  79  -2.694   4.229  -3.553
  609    HZ   PHE  79           HZ       PHE  79  -1.447   2.761  -5.116
  610    H    ILE  80           H        ILE  80  -8.209  -0.186  -4.081
  611    HA   ILE  80           HA       ILE  80  -9.453  -1.858  -1.996
  612    HB   ILE  80           HB       ILE  80 -11.056  -0.541  -4.234
  613   1HG1  ILE  80          2HG1      ILE  80 -11.433  -0.331  -1.219
  614   2HG1  ILE  80          3HG1      ILE  80 -10.690   0.915  -2.212
  615   1HG2  ILE  80          1HG2      ILE  80 -11.770  -2.830  -4.036
  616   2HG2  ILE  80          2HG2      ILE  80 -11.808  -2.740  -2.259
  617   3HG2  ILE  80          3HG2      ILE  80 -12.988  -1.860  -3.241
  618   1HD1  ILE  80          1HD1      ILE  80 -12.927   1.568  -1.772
  619   2HD1  ILE  80          2HD1      ILE  80 -12.814   1.159  -3.493
  620   3HD1  ILE  80          3HD1      ILE  80 -13.592   0.040  -2.352
  621    H    GLY  81           H        GLY  81  -9.506  -3.995  -2.690
  622   1HA   GLY  81          1HA       GLY  81  -8.898  -5.834  -3.899
  623   2HA   GLY  81          2HA       GLY  81  -9.369  -4.938  -5.356
  624    H    GLY  82           H        GLY  82  -6.791  -3.823  -3.167
  625   1HA   GLY  82          1HA       GLY  82  -4.549  -3.555  -3.445
  626   2HA   GLY  82          2HA       GLY  82  -4.559  -4.902  -4.591
  627    H    LYS  83           H        LYS  83  -6.631  -2.086  -5.275
  628    HA   LYS  83           HA       LYS  83  -4.641  -1.081  -7.260
  629   1HB   LYS  83          2HB       LYS  83  -6.384  -2.554  -8.274
  630   2HB   LYS  83          3HB       LYS  83  -7.644  -1.490  -7.630
  631   1HG   LYS  83          2HG       LYS  83  -6.793   0.377  -9.005
  632   2HG   LYS  83          3HG       LYS  83  -5.470  -0.646  -9.600
  633   1HD   LYS  83          2HD       LYS  83  -7.124  -2.176 -10.636
  634   2HD   LYS  83          3HD       LYS  83  -8.450  -1.165 -10.016
  635   1HE   LYS  83          2HE       LYS  83  -7.581   0.767 -11.315
  636   2HE   LYS  83          3HE       LYS  83  -6.261  -0.235 -11.931
  637   1HZ   LYS  83          1HZ       LYS  83  -8.072  -0.092 -13.514
  638   2HZ   LYS  83          2HZ       LYS  83  -7.917  -1.634 -13.020
  639   3HZ   LYS  83          3HZ       LYS  83  -9.140  -0.707 -12.451
  640    H    GLN  84           H        GLN  84  -4.518   1.098  -7.426
  641    HA   GLN  84           HA       GLN  84  -5.371   2.895  -5.424
  642   1HB   GLN  84          2HB       GLN  84  -3.492   3.503  -6.738
  643   2HB   GLN  84          3HB       GLN  84  -4.283   3.079  -8.244
  644   1HG   GLN  84          2HG       GLN  84  -3.943   5.436  -8.153
  645   2HG   GLN  84          3HG       GLN  84  -5.660   5.097  -8.183
  646   1HE2  GLN  84          2HE2      GLN  84  -4.917   7.612  -7.474
  647   2HE2  GLN  84          1HE2      GLN  84  -5.090   7.862  -5.758
  648    H    ILE  85           H        ILE  85  -7.266   3.995  -5.126
  649    HA   ILE  85           HA       ILE  85  -9.295   3.876  -7.324
  650    HB   ILE  85           HB       ILE  85  -9.763   4.174  -4.335
  651   1HG1  ILE  85          2HG1      ILE  85  -9.046   1.914  -4.717
  652   2HG1  ILE  85          3HG1      ILE  85 -10.767   1.939  -4.415
  653   1HG2  ILE  85          1HG2      ILE  85 -11.729   3.913  -6.647
  654   2HG2  ILE  85          2HG2      ILE  85 -12.158   3.802  -4.924
  655   3HG2  ILE  85          3HG2      ILE  85 -11.511   5.309  -5.578
  656   1HD1  ILE  85          1HD1      ILE  85  -9.433   1.547  -7.129
  657   2HD1  ILE  85          2HD1      ILE  85 -10.265   0.328  -6.168
  658   3HD1  ILE  85          3HD1      ILE  85 -11.184   1.667  -6.880
  659    H    GLY  86           H        GLY  86  -8.005   5.998  -4.637
  660   1HA   GLY  86          1HA       GLY  86  -7.651   8.342  -6.003
  661   2HA   GLY  86          2HA       GLY  86  -9.402   8.279  -5.790
  662    H    GLY  87           H        GLY  87  -9.767   9.786  -4.272
  663   1HA   GLY  87          1HA       GLY  87  -8.405   9.568  -1.612
  664   2HA   GLY  87          2HA       GLY  87  -8.685  11.113  -2.428
  665    H    CYS  88           H        CYS  88  -9.846  11.511  -0.345
  666    HA   CYS  88           HA       CYS  88 -12.129  10.173   0.548
  667   1HB   CYS  88          2HB       CYS  88 -12.721  12.554   1.446
  668   2HB   CYS  88          3HB       CYS  88 -11.263  11.766   2.037
  669    HG   CYS  88           HG       CYS  88 -10.905  14.390   1.659
  670    H    ASP  89           H        ASP  89 -12.012  13.008  -1.656
  671    HA   ASP  89           HA       ASP  89 -14.800  13.157  -2.056
  672   1HB   ASP  89          2HB       ASP  89 -13.267  14.958  -2.693
  673   2HB   ASP  89          3HB       ASP  89 -12.510  13.927  -3.910
  674    H    THR  90           H        THR  90 -12.362  11.137  -3.760
  675    HA   THR  90           HA       THR  90 -14.074  10.270  -5.841
  676    HB   THR  90           HB       THR  90 -11.907   8.556  -4.587
  677    HG1  THR  90           1HG      THR  90 -11.506  10.823  -6.245
  678   1HG2  THR  90          1HG2      THR  90 -12.821   9.020  -7.455
  679   2HG2  THR  90          2HG2      THR  90 -11.489   7.949  -6.951
  680   3HG2  THR  90          3HG2      THR  90 -13.152   7.593  -6.452
  681    H    VAL  91           H        VAL  91 -13.320   8.741  -2.605
  682    HA   VAL  91           HA       VAL  91 -15.157   6.596  -3.209
  683    HB   VAL  91           HB       VAL  91 -14.861   5.899  -0.868
  684   1HG1  VAL  91          1HG1      VAL  91 -12.548   5.220  -1.146
  685   2HG1  VAL  91          2HG1      VAL  91 -13.343   5.187  -2.721
  686   3HG1  VAL  91          3HG1      VAL  91 -12.243   6.522  -2.313
  687   1HG2  VAL  91          1HG2      VAL  91 -13.219   6.925   0.578
  688   2HG2  VAL  91          2HG2      VAL  91 -12.902   8.213  -0.593
  689   3HG2  VAL  91          3HG2      VAL  91 -14.477   8.114   0.220
  690    H    VAL  92           H        VAL  92 -15.573   9.735  -1.493
  691    HA   VAL  92           HA       VAL  92 -18.196   9.103  -0.521
  692    HB   VAL  92           HB       VAL  92 -16.785  11.712  -1.208
  693   1HG1  VAL  92          1HG1      VAL  92 -19.507  11.387   0.133
  694   2HG1  VAL  92          2HG1      VAL  92 -18.565  12.896   0.040
  695   3HG1  VAL  92          3HG1      VAL  92 -19.193  12.163  -1.435
  696   1HG2  VAL  92          1HG2      VAL  92 -16.618  11.970   1.214
  697   2HG2  VAL  92          2HG2      VAL  92 -17.585  10.503   1.484
  698   3HG2  VAL  92          3HG2      VAL  92 -15.962  10.389   0.786
  699    H    GLU  93           H        GLU  93 -17.045  10.552  -3.678
  700    HA   GLU  93           HA       GLU  93 -19.673  10.878  -4.700
  701   1HB   GLU  93          2HB       GLU  93 -17.565  11.928  -5.609
  702   2HB   GLU  93          3HB       GLU  93 -17.140  10.360  -6.325
  703   1HG   GLU  93          2HG       GLU  93 -19.356  10.403  -7.541
  704   2HG   GLU  93          3HG       GLU  93 -19.669  12.000  -6.867
  705    H    LYS  94           H        LYS  94 -17.337   8.137  -5.074
  706    HA   LYS  94           HA       LYS  94 -19.095   6.515  -6.659
  707   1HB   LYS  94          2HB       LYS  94 -16.772   5.808  -4.825
  708   2HB   LYS  94          3HB       LYS  94 -17.624   4.627  -5.838
  709   1HG   LYS  94          2HG       LYS  94 -17.017   5.867  -7.875
  710   2HG   LYS  94          3HG       LYS  94 -16.259   7.130  -6.917
  711   1HD   LYS  94          2HD       LYS  94 -14.449   5.823  -7.658
  712   2HD   LYS  94          3HD       LYS  94 -14.680   5.374  -5.975
  713   1HE   LYS  94          2HE       LYS  94 -14.304   3.336  -7.089
  714   2HE   LYS  94          3HE       LYS  94 -16.049   3.362  -6.827
  715   1HZ   LYS  94          1HZ       LYS  94 -16.321   4.053  -9.160
  716   2HZ   LYS  94          2HZ       LYS  94 -14.693   4.094  -9.370
  717   3HZ   LYS  94          3HZ       LYS  94 -15.444   2.678  -9.088
  718    H    HIS  95           H        HIS  95 -18.945   6.961  -3.083
  719    HA   HIS  95           HA       HIS  95 -20.817   4.828  -2.588
  720   1HB   HIS  95          2HB       HIS  95 -19.355   5.762  -0.835
  721   2HB   HIS  95          3HB       HIS  95 -20.200   7.306  -0.934
  722    HD1  HIS  95           1HD      HIS  95 -21.281   3.596  -0.249
  723    HD2  HIS  95           2HD      HIS  95 -22.036   7.584   0.866
  724    HE1  HIS  95           1HE      HIS  95 -23.075   3.512   1.553
  725    H    GLN  96           H        GLN  96 -21.234   8.388  -3.147
  726    HA   GLN  96           HA       GLN  96 -24.072   8.337  -2.859
  727   1HB   GLN  96          2HB       GLN  96 -22.230  10.206  -4.411
  728   2HB   GLN  96          3HB       GLN  96 -23.960  10.471  -4.253
  729   1HG   GLN  96          2HG       GLN  96 -21.987  10.330  -1.937
  730   2HG   GLN  96          3HG       GLN  96 -22.658  11.799  -2.620
  731   1HE2  GLN  96          2HE2      GLN  96 -22.857  10.461   0.158
  732   2HE2  GLN  96          1HE2      GLN  96 -24.571  10.437   0.486
  733    H    ARG  97           H        ARG  97 -21.985   7.748  -5.710
  734    HA   ARG  97           HA       ARG  97 -24.128   7.359  -7.602
  735   1HB   ARG  97          2HB       ARG  97 -21.244   6.366  -7.511
  736   2HB   ARG  97          3HB       ARG  97 -22.310   6.120  -8.889
  737   1HG   ARG  97          2HG       ARG  97 -22.525   8.520  -9.257
  738   2HG   ARG  97          3HG       ARG  97 -21.521   8.866  -7.841
  739   1HD   ARG  97          2HD       ARG  97 -19.638   7.596  -8.870
  740   2HD   ARG  97          3HD       ARG  97 -20.621   7.284 -10.302
  741    HE   ARG  97           HE       ARG  97 -19.221   9.743  -9.557
  742   1HH1  ARG  97          1HH2      ARG  97 -21.810   8.477 -11.664
  743   2HH1  ARG  97          2HH2      ARG  97 -21.681   9.783 -12.782
  744   1HH2  ARG  97          1HH1      ARG  97 -19.050  11.353 -10.938
  745   2HH2  ARG  97          2HH1      ARG  97 -20.047  11.512 -12.372
  746    H    ASN  98           H        ASN  98 -23.372   5.483  -4.886
  747    HA   ASN  98           HA       ASN  98 -23.527   3.367  -4.251
  748   1HB   ASN  98          2HB       ASN  98 -25.941   3.781  -4.579
  749   2HB   ASN  98          3HB       ASN  98 -25.814   3.137  -6.222
  750   1HD2  ASN  98          2HD2      ASN  98 -27.196   1.306  -5.842
  751   2HD2  ASN  98          1HD2      ASN  98 -26.732   0.002  -4.782
  752    H    GLU  99           H        GLU  99 -21.498   3.830  -5.858
  753    HA   GLU  99           HA       GLU  99 -21.207   1.457  -7.638
  754   1HB   GLU  99          2HB       GLU  99 -21.138   3.734  -8.687
  755   2HB   GLU  99          3HB       GLU  99 -19.728   4.114  -7.687
  756   1HG   GLU  99          2HG       GLU  99 -18.500   2.212  -8.745
  757   2HG   GLU  99          3HG       GLU  99 -19.921   1.853  -9.732
  758    H    LEU 100           H        LEU 100 -19.926   3.288  -4.883
  759    HA   LEU 100           HA       LEU 100 -17.433   1.880  -4.639
  760   1HB   LEU 100          2HB       LEU 100 -18.040   4.058  -3.459
  761   2HB   LEU 100          3HB       LEU 100 -19.121   3.129  -2.423
  762    HG   LEU 100           HG       LEU 100 -17.076   1.772  -1.701
  763   1HD1  LEU 100          1HD1      LEU 100 -15.621   4.000  -3.195
  764   2HD1  LEU 100          2HD1      LEU 100 -14.865   2.897  -2.031
  765   3HD1  LEU 100          3HD1      LEU 100 -15.532   2.255  -3.533
  766   1HD2  LEU 100          1HD2      LEU 100 -18.030   3.536  -0.291
  767   2HD2  LEU 100          2HD2      LEU 100 -16.268   3.510  -0.156
  768   3HD2  LEU 100          3HD2      LEU 100 -17.062   4.760  -1.140
  769    H    LEU 101           H        LEU 101 -20.755   1.277  -3.409
  770    HA   LEU 101           HA       LEU 101 -19.945  -0.838  -1.693
  771   1HB   LEU 101          2HB       LEU 101 -22.301   0.581  -2.093
  772   2HB   LEU 101          3HB       LEU 101 -22.746  -1.047  -2.602
  773    HG   LEU 101           HG       LEU 101 -21.374  -0.408   0.040
  774   1HD1  LEU 101          1HD1      LEU 101 -23.590  -0.676   1.069
  775   2HD1  LEU 101          2HD1      LEU 101 -23.579   0.667  -0.085
  776   3HD1  LEU 101          3HD1      LEU 101 -24.326  -0.879  -0.542
  777   1HD2  LEU 101          1HD2      LEU 101 -22.801  -2.923  -0.938
  778   2HD2  LEU 101          2HD2      LEU 101 -21.053  -2.744  -0.684
  779   3HD2  LEU 101          3HD2      LEU 101 -22.149  -2.668   0.697
  780    HA   PRO 102           HA       PRO 102 -21.074  -3.856  -5.380
  781   1HB   PRO 102          2HB       PRO 102 -20.367  -1.873  -7.560
  782   2HB   PRO 102          3HB       PRO 102 -21.396  -3.338  -7.663
  783   1HG   PRO 102          2HG       PRO 102 -22.536  -0.902  -7.414
  784   2HG   PRO 102          3HG       PRO 102 -23.153  -2.275  -6.439
  785   1HD   PRO 102          2HD       PRO 102 -21.336  -0.032  -5.576
  786   2HD   PRO 102          3HD       PRO 102 -22.693  -0.786  -4.710
  787    H    LEU 103           H        LEU 103 -18.531  -1.283  -5.806
  788    HA   LEU 103           HA       LEU 103 -16.517  -3.079  -6.720
  789   1HB   LEU 103          2HB       LEU 103 -16.381  -0.666  -7.046
  790   2HB   LEU 103          3HB       LEU 103 -16.357  -0.391  -5.305
  791    HG   LEU 103           HG       LEU 103 -14.169  -1.514  -5.122
  792   1HD1  LEU 103          1HD1      LEU 103 -14.293  -1.715  -8.164
  793   2HD1  LEU 103          2HD1      LEU 103 -12.845  -1.997  -7.171
  794   3HD1  LEU 103          3HD1      LEU 103 -14.233  -3.074  -7.019
  795   1HD2  LEU 103          1HD2      LEU 103 -12.858   0.245  -6.139
  796   2HD2  LEU 103          2HD2      LEU 103 -14.197   0.678  -7.227
  797   3HD2  LEU 103          3HD2      LEU 103 -14.344   0.930  -5.471
  798    H    LEU 104           H        LEU 104 -17.376  -1.969  -3.406
  799    HA   LEU 104           HA       LEU 104 -15.239  -3.370  -2.090
  800   1HB   LEU 104          2HB       LEU 104 -17.958  -2.375  -1.154
  801   2HB   LEU 104          3HB       LEU 104 -16.798  -3.154  -0.087
  802    HG   LEU 104           HG       LEU 104 -16.035  -0.677  -1.679
  803   1HD1  LEU 104          1HD1      LEU 104 -17.261  -0.839   1.104
  804   2HD1  LEU 104          2HD1      LEU 104 -16.543   0.616   0.380
  805   3HD1  LEU 104          3HD1      LEU 104 -17.997  -0.103  -0.330
  806   1HD2  LEU 104          1HD2      LEU 104 -14.168  -1.989  -0.720
  807   2HD2  LEU 104          2HD2      LEU 104 -14.343  -0.433   0.097
  808   3HD2  LEU 104          3HD2      LEU 104 -14.936  -1.910   0.881
  809    H    GLN 105           H        GLN 105 -18.591  -4.305  -2.965
  810    HA   GLN 105           HA       GLN 105 -18.499  -6.865  -1.687
  811   1HB   GLN 105          2HB       GLN 105 -20.153  -5.762  -4.003
  812   2HB   GLN 105          3HB       GLN 105 -20.386  -7.389  -3.335
  813   1HG   GLN 105          2HG       GLN 105 -20.800  -6.480  -1.125
  814   2HG   GLN 105          3HG       GLN 105 -20.510  -4.839  -1.688
  815   1HE2  GLN 105          2HE2      GLN 105 -22.952  -6.215  -0.444
  816   2HE2  GLN 105          1HE2      GLN 105 -24.252  -5.859  -1.553
  817    H    ASP 106           H        ASP 106 -17.565  -5.768  -4.944
  818    HA   ASP 106           HA       ASP 106 -16.864  -8.350  -5.968
  819   1HB   ASP 106          2HB       ASP 106 -17.235  -6.429  -7.382
  820   2HB   ASP 106          3HB       ASP 106 -15.906  -5.556  -6.637
  821    H    ALA 107           H        ALA 107 -15.010  -5.916  -4.099
  822    HA   ALA 107           HA       ALA 107 -12.603  -7.528  -3.951
  823   1HB   ALA 107          1HB       ALA 107 -11.872  -5.823  -2.348
  824   2HB   ALA 107          2HB       ALA 107 -12.606  -5.058  -3.767
  825   3HB   ALA 107          3HB       ALA 107 -13.520  -5.172  -2.244
  826    H    ALA 108           H        ALA 108 -15.591  -8.102  -2.621
  827    HA   ALA 108           HA       ALA 108 -16.488  -9.192  -0.914
  828   1HB   ALA 108          1HB       ALA 108 -13.820 -10.625  -0.646
  829   2HB   ALA 108          2HB       ALA 108 -15.409 -11.196  -0.099
  830   3HB   ALA 108          3HB       ALA 108 -15.082 -11.025  -1.831
  831    H    ALA 109           H        ALA 109 -15.112  -6.631  -0.305
  832    HA   ALA 109           HA       ALA 109 -13.811  -6.906   2.285
  833   1HB   ALA 109          1HB       ALA 109 -14.802  -4.448   0.769
  834   2HB   ALA 109          2HB       ALA 109 -13.705  -4.458   2.167
  835   3HB   ALA 109          3HB       ALA 109 -13.189  -5.176   0.621
  836    H    THR 110           H        THR 110 -17.068  -5.951   1.118
  837    HA   THR 110           HA       THR 110 -17.997  -4.993   3.681
  838    HB   THR 110           HB       THR 110 -20.233  -5.204   2.272
  839    HG1  THR 110           1HG      THR 110 -19.332  -6.399   0.587
  840   1HG2  THR 110          1HG2      THR 110 -19.286  -3.075   2.886
  841   2HG2  THR 110          2HG2      THR 110 -17.949  -3.265   1.750
  842   3HG2  THR 110          3HG2      THR 110 -19.602  -3.026   1.144
  843    H    ALA 111           H        ALA 111 -18.195  -6.347   5.321
  844    HA   ALA 111           HA       ALA 111 -18.235  -9.141   5.103
  845   1HB   ALA 111          1HB       ALA 111 -19.135  -7.360   7.405
  846   2HB   ALA 111          2HB       ALA 111 -18.675  -9.076   7.527
  847   3HB   ALA 111          3HB       ALA 111 -17.463  -7.864   7.055
  848    H    LYS 112           H        LYS 112 -20.947  -6.937   4.855
  849    HA   LYS 112           HA       LYS 112 -23.040  -8.786   5.471
  850   1HB   LYS 112          2HB       LYS 112 -24.505  -7.245   4.266
  851   2HB   LYS 112          3HB       LYS 112 -23.474  -6.428   5.438
  852   1HG   LYS 112          2HG       LYS 112 -22.029  -5.565   3.662
  853   2HG   LYS 112          3HG       LYS 112 -22.868  -6.540   2.447
  854   1HD   LYS 112          2HD       LYS 112 -23.628  -4.257   2.280
  855   2HD   LYS 112          3HD       LYS 112 -24.954  -5.277   2.857
  856   1HE   LYS 112          2HE       LYS 112 -24.452  -4.527   5.207
  857   2HE   LYS 112          3HE       LYS 112 -23.185  -3.470   4.574
  858   1HZ   LYS 112          1HZ       LYS 112 -26.077  -3.262   3.941
  859   2HZ   LYS 112          2HZ       LYS 112 -25.252  -2.274   4.935
  860   3HZ   LYS 112          3HZ       LYS 112 -24.920  -2.277   3.337
  861    H    ASN 113           H        ASN 113 -20.837  -8.812   2.797
  862    HA   ASN 113           HA       ASN 113 -22.457 -10.982   1.584
  863   1HB   ASN 113          2HB       ASN 113 -22.845  -9.059   0.133
  864   2HB   ASN 113          3HB       ASN 113 -21.102  -8.773   0.006
  865   1HD2  ASN 113          1HD2      ASN 113 -21.941  -9.016  -2.408
  866   2HD2  ASN 113          2HD2      ASN 113 -21.765 -10.625  -3.072
  867    HA   PRO 114           HA       PRO 114 -18.216 -12.381   2.752
  868   1HB   PRO 114          2HB       PRO 114 -19.766 -14.968   2.747
  869   2HB   PRO 114          3HB       PRO 114 -18.513 -14.407   3.897
  870   1HG   PRO 114          2HG       PRO 114 -21.137 -14.314   4.572
  871   2HG   PRO 114          3HG       PRO 114 -20.058 -12.935   4.971
  872   1HD   PRO 114          2HD       PRO 114 -21.973 -13.204   2.638
  873   2HD   PRO 114          3HD       PRO 114 -21.724 -11.822   3.745
  874    H    ALA 115           H        ALA 115 -20.392 -13.183   0.124
  875    HA   ALA 115           HA       ALA 115 -18.397 -14.782  -1.354
  876   1HB   ALA 115          1HB       ALA 115 -21.214 -13.917  -2.142
  877   2HB   ALA 115          2HB       ALA 115 -20.161 -15.064  -3.001
  878   3HB   ALA 115          3HB       ALA 115 -20.780 -15.469  -1.396
  879    H    GLN 116           H        GLN 116 -19.791 -13.143  -3.756
  880    HA   GLN 116           HA       GLN 116 -18.175 -10.689  -3.551
  881   1HB   GLN 116          2HB       GLN 116 -17.991 -12.705  -5.835
  882   2HB   GLN 116          3HB       GLN 116 -17.522 -11.019  -5.983
  883   1HG   GLN 116          2HG       GLN 116 -15.494 -11.923  -5.549
  884   2HG   GLN 116          3HG       GLN 116 -15.974 -11.432  -3.938
  885   1HE2  GLN 116          2HE2      GLN 116 -16.043 -13.076  -2.329
  886   2HE2  GLN 116          1HE2      GLN 116 -15.670 -14.756  -2.672
  887    H    LEU 117           H        LEU 117 -18.773  -9.219  -5.413
  888    HA   LEU 117           HA       LEU 117 -21.538  -8.640  -5.591
  889   1HB   LEU 117          2HB       LEU 117 -19.674  -7.054  -6.034
  890   2HB   LEU 117          3HB       LEU 117 -19.250  -7.937  -7.489
  891    HG   LEU 117           HG       LEU 117 -20.456  -5.776  -7.778
  892   1HD1  LEU 117          1HD1      LEU 117 -21.804  -6.403  -9.628
  893   2HD1  LEU 117          2HD1      LEU 117 -20.429  -7.514  -9.570
  894   3HD1  LEU 117          3HD1      LEU 117 -22.036  -8.045  -9.024
  895   1HD2  LEU 117          1HD2      LEU 117 -22.048  -6.016  -5.892
  896   2HD2  LEU 117          2HD2      LEU 117 -22.835  -5.584  -7.417
  897   3HD2  LEU 117          3HD2      LEU 117 -22.935  -7.248  -6.814
  Start of MODEL   17
    1   1H    MET   1           H1       MET   1  23.454   4.095   1.723
    2   2H    MET   1           H2       MET   1  23.527   2.562   1.144
    3   3H    MET   1           H3       MET   1  23.805   3.831   0.149
    4    HA   MET   1           HA       MET   1  21.637   2.938  -0.273
    5   1HB   MET   1          2HB       MET   1  21.246   1.984   1.948
    6   2HB   MET   1          3HB       MET   1  21.121   3.599   2.658
    7   1HG   MET   1          2HG       MET   1  19.098   4.052   1.360
    8   2HG   MET   1          3HG       MET   1  19.295   2.547   0.469
    9   1HE   MET   1          1HE       MET   1  19.676   3.056   4.461
   10   2HE   MET   1          2HE       MET   1  18.424   4.195   3.910
   11   3HE   MET   1          3HE       MET   1  17.980   2.796   4.913
   12    H    ALA   2           H        ALA   2  21.335   4.530  -1.758
   13    HA   ALA   2           HA       ALA   2  21.506   7.360  -1.095
   14   1HB   ALA   2          1HB       ALA   2  22.202   6.456  -3.300
   15   2HB   ALA   2          2HB       ALA   2  20.533   5.925  -3.616
   16   3HB   ALA   2          3HB       ALA   2  20.911   7.655  -3.475
   17    H    SER   3           H        SER   3  19.700   8.897  -1.421
   18    HA   SER   3           HA       SER   3  17.316   8.246  -0.140
   19   1HB   SER   3          2HB       SER   3  17.652  10.429  -2.227
   20   2HB   SER   3          3HB       SER   3  16.573  10.426  -0.820
   21    HG   SER   3           HG       SER   3  18.473  11.665  -0.463
   22    H    LYS   4           H        LYS   4  18.096   8.002  -3.602
   23    HA   LYS   4           HA       LYS   4  15.416   7.498  -4.518
   24   1HB   LYS   4          2HB       LYS   4  18.102   6.601  -5.666
   25   2HB   LYS   4          3HB       LYS   4  16.542   6.438  -6.481
   26   1HG   LYS   4          2HG       LYS   4  16.232   8.904  -6.404
   27   2HG   LYS   4          3HG       LYS   4  17.822   9.076  -5.638
   28   1HD   LYS   4          2HD       LYS   4  18.895   8.039  -7.619
   29   2HD   LYS   4          3HD       LYS   4  17.302   7.873  -8.392
   30   1HE   LYS   4          2HE       LYS   4  17.001  10.339  -8.289
   31   2HE   LYS   4          3HE       LYS   4  18.585  10.505  -7.521
   32   1HZ   LYS   4          1HZ       LYS   4  19.583   9.603  -9.542
   33   2HZ   LYS   4          2HZ       LYS   4  18.117   9.450 -10.251
   34   3HZ   LYS   4          3HZ       LYS   4  18.701  10.926  -9.892
   35    H    GLN   5           H        GLN   5  17.922   5.360  -3.107
   36    HA   GLN   5           HA       GLN   5  16.469   2.923  -3.671
   37   1HB   GLN   5          2HB       GLN   5  18.952   3.102  -3.236
   38   2HB   GLN   5          3HB       GLN   5  18.577   3.446  -1.538
   39   1HG   GLN   5          2HG       GLN   5  17.423   1.246  -1.363
   40   2HG   GLN   5          3HG       GLN   5  17.818   0.912  -3.051
   41   1HE2  GLN   5          2HE2      GLN   5  18.647  -0.984  -1.363
   42   2HE2  GLN   5          1HE2      GLN   5  20.360  -0.881  -1.046
   43    H    GLU   6           H        GLU   6  16.578   5.301  -0.949
   44    HA   GLU   6           HA       GLU   6  14.901   3.731   0.792
   45   1HB   GLU   6          2HB       GLU   6  15.365   6.747   0.678
   46   2HB   GLU   6          3HB       GLU   6  14.426   5.901   1.914
   47   1HG   GLU   6          2HG       GLU   6  16.471   4.519   2.431
   48   2HG   GLU   6          3HG       GLU   6  17.392   5.569   1.347
   49    H    LEU   7           H        LEU   7  14.210   6.238  -1.690
   50    HA   LEU   7           HA       LEU   7  11.411   6.302  -1.301
   51   1HB   LEU   7          2HB       LEU   7  12.758   7.963  -2.592
   52   2HB   LEU   7          3HB       LEU   7  13.020   6.752  -3.848
   53    HG   LEU   7           HG       LEU   7  10.553   6.676  -4.279
   54   1HD1  LEU   7          1HD1      LEU   7   9.152   8.541  -3.349
   55   2HD1  LEU   7          2HD1      LEU   7   9.653   7.384  -2.109
   56   3HD1  LEU   7          3HD1      LEU   7  10.479   8.952  -2.240
   57   1HD2  LEU   7          1HD2      LEU   7  11.819   9.444  -4.414
   58   2HD2  LEU   7          2HD2      LEU   7  12.054   8.129  -5.583
   59   3HD2  LEU   7          3HD2      LEU   7  10.454   8.863  -5.398
   60    H    ASP   8           H        ASP   8  13.433   4.201  -3.428
   61    HA   ASP   8           HA       ASP   8  11.216   2.797  -4.587
   62   1HB   ASP   8          2HB       ASP   8  13.434   2.788  -5.614
   63   2HB   ASP   8          3HB       ASP   8  14.124   1.985  -4.198
   64    H    ALA   9           H        ALA   9  13.201   2.156  -1.651
   65    HA   ALA   9           HA       ALA   9  11.939  -0.333  -1.051
   66   1HB   ALA   9          1HB       ALA   9  12.870   0.013   1.216
   67   2HB   ALA   9          2HB       ALA   9  14.079   0.393  -0.029
   68   3HB   ALA   9          3HB       ALA   9  13.237   1.705   0.824
   69    H    ALA  10           H        ALA  10  11.179   3.055  -0.140
   70    HA   ALA  10           HA       ALA  10   8.911   2.486   1.476
   71   1HB   ALA  10          1HB       ALA  10  10.048   4.642   1.539
   72   2HB   ALA  10          2HB       ALA  10   9.650   4.950  -0.163
   73   3HB   ALA  10          3HB       ALA  10   8.364   4.877   1.048
   74    H    LEU  11           H        LEU  11   9.194   3.081  -2.083
   75    HA   LEU  11           HA       LEU  11   6.438   2.854  -2.738
   76   1HB   LEU  11          2HB       LEU  11   8.030   3.574  -4.412
   77   2HB   LEU  11          3HB       LEU  11   8.985   2.121  -4.211
   78    HG   LEU  11           HG       LEU  11   7.033   0.758  -5.131
   79   1HD1  LEU  11          1HD1      LEU  11   6.030   3.531  -5.866
   80   2HD1  LEU  11          2HD1      LEU  11   5.373   2.006  -6.482
   81   3HD1  LEU  11          3HD1      LEU  11   5.228   2.388  -4.761
   82   1HD2  LEU  11          1HD2      LEU  11   7.570   1.325  -7.445
   83   2HD2  LEU  11          2HD2      LEU  11   8.358   2.825  -6.898
   84   3HD2  LEU  11          3HD2      LEU  11   9.006   1.240  -6.413
   85    H    LYS  12           H        LYS  12   8.948   0.264  -2.528
   86    HA   LYS  12           HA       LYS  12   7.109  -1.822  -3.123
   87   1HB   LYS  12          2HB       LYS  12   9.783  -1.706  -1.695
   88   2HB   LYS  12          3HB       LYS  12   8.891  -3.234  -1.859
   89   1HG   LYS  12          2HG       LYS  12   8.919  -3.058  -4.288
   90   2HG   LYS  12          3HG       LYS  12   9.693  -1.464  -4.209
   91   1HD   LYS  12          2HD       LYS  12  11.707  -2.432  -3.200
   92   2HD   LYS  12          3HD       LYS  12  10.921  -4.008  -3.061
   93   1HE   LYS  12          2HE       LYS  12  12.434  -4.077  -4.924
   94   2HE   LYS  12          3HE       LYS  12  10.778  -4.185  -5.526
   95   1HZ   LYS  12          1HZ       LYS  12  12.178  -2.668  -6.820
   96   2HZ   LYS  12          2HZ       LYS  12  10.925  -1.855  -6.164
   97   3HZ   LYS  12          3HZ       LYS  12  12.417  -1.703  -5.516
   98    H    LYS  13           H        LYS  13   8.065  -0.447   0.096
   99    HA   LYS  13           HA       LYS  13   6.375  -2.200   1.566
  100   1HB   LYS  13          2HB       LYS  13   8.149  -0.708   2.544
  101   2HB   LYS  13          3HB       LYS  13   7.071   0.675   2.298
  102   1HG   LYS  13          2HG       LYS  13   5.352  -0.467   3.751
  103   2HG   LYS  13          3HG       LYS  13   6.483  -1.813   3.976
  104   1HD   LYS  13          2HD       LYS  13   8.108  -0.171   5.018
  105   2HD   LYS  13          3HD       LYS  13   6.874   1.081   4.834
  106   1HE   LYS  13          2HE       LYS  13   6.767   0.334   7.094
  107   2HE   LYS  13          3HE       LYS  13   5.320  -0.253   6.272
  108   1HZ   LYS  13          1HZ       LYS  13   7.739  -1.874   6.860
  109   2HZ   LYS  13          2HZ       LYS  13   6.331  -1.954   7.669
  110   3HZ   LYS  13          3HZ       LYS  13   6.395  -2.439   6.116
  111    H    ALA  14           H        ALA  14   5.616   0.990   0.004
  112    HA   ALA  14           HA       ALA  14   2.944   1.095   0.932
  113   1HB   ALA  14          1HB       ALA  14   4.060   2.182  -1.685
  114   2HB   ALA  14          2HB       ALA  14   2.527   2.626  -0.913
  115   3HB   ALA  14          3HB       ALA  14   4.062   3.021  -0.113
  116    H    LYS  15           H        LYS  15   4.319  -0.561  -1.979
  117    HA   LYS  15           HA       LYS  15   1.800  -1.470  -2.976
  118   1HB   LYS  15          2HB       LYS  15   4.601  -2.647  -3.226
  119   2HB   LYS  15          3HB       LYS  15   3.178  -3.328  -4.018
  120   1HG   LYS  15          2HG       LYS  15   2.782  -1.253  -5.233
  121   2HG   LYS  15          3HG       LYS  15   4.171  -0.476  -4.450
  122   1HD   LYS  15          2HD       LYS  15   5.692  -2.121  -5.488
  123   2HD   LYS  15          3HD       LYS  15   4.303  -2.972  -6.203
  124   1HE   LYS  15          2HE       LYS  15   3.693  -0.880  -7.437
  125   2HE   LYS  15          3HE       LYS  15   5.135  -0.095  -6.787
  126   1HZ   LYS  15          1HZ       LYS  15   5.522  -0.970  -9.009
  127   2HZ   LYS  15          2HZ       LYS  15   6.475  -1.770  -7.956
  128   3HZ   LYS  15          3HZ       LYS  15   5.130  -2.480  -8.553
  129    H    GLU  16           H        GLU  16   4.061  -2.992  -0.603
  130    HA   GLU  16           HA       GLU  16   2.497  -5.342  -0.222
  131   1HB   GLU  16          2HB       GLU  16   4.371  -3.874   1.690
  132   2HB   GLU  16          3HB       GLU  16   3.614  -5.431   2.040
  133   1HG   GLU  16          2HG       GLU  16   4.676  -6.405   0.022
  134   2HG   GLU  16          3HG       GLU  16   5.481  -4.870  -0.291
  135    H    LEU  17           H        LEU  17   2.478  -2.218   1.568
  136    HA   LEU  17           HA       LEU  17   0.417  -2.839   3.386
  137   1HB   LEU  17          2HB       LEU  17   1.274  -0.209   2.116
  138   2HB   LEU  17          3HB       LEU  17   0.031  -0.288   3.356
  139    HG   LEU  17           HG       LEU  17   2.841  -1.367   3.792
  140   1HD1  LEU  17          1HD1      LEU  17   2.991   1.033   3.297
  141   2HD1  LEU  17          2HD1      LEU  17   1.742   1.372   4.516
  142   3HD1  LEU  17          3HD1      LEU  17   3.319   0.727   5.007
  143   1HD2  LEU  17          1HD2      LEU  17   2.269  -1.135   6.185
  144   2HD2  LEU  17          2HD2      LEU  17   0.630  -0.617   5.744
  145   3HD2  LEU  17          3HD2      LEU  17   1.197  -2.263   5.359
  146    H    ALA  18           H        ALA  18   0.172  -1.280   0.164
  147    HA   ALA  18           HA       ALA  18  -2.611  -0.954   0.063
  148   1HB   ALA  18          1HB       ALA  18  -0.611  -1.430  -2.180
  149   2HB   ALA  18          2HB       ALA  18  -2.241  -0.763  -2.374
  150   3HB   ALA  18          3HB       ALA  18  -1.021   0.147  -1.463
  151    H    SER  19           H        SER  19  -0.761  -3.918  -0.275
  152    HA   SER  19           HA       SER  19  -3.026  -5.306  -1.614
  153   1HB   SER  19          2HB       SER  19  -0.187  -6.260  -1.085
  154   2HB   SER  19          3HB       SER  19  -1.399  -7.012  -2.137
  155    HG   SER  19           HG       SER  19   0.013  -4.577  -2.455
  156    H    SER  20           H        SER  20  -1.495  -4.954   1.502
  157    HA   SER  20           HA       SER  20  -1.901  -7.574   2.451
  158   1HB   SER  20          2HB       SER  20  -1.298  -6.650   4.629
  159   2HB   SER  20          3HB       SER  20  -0.228  -6.088   3.345
  160    HG   SER  20           HG       SER  20  -1.613  -4.122   3.314
  161    H    ALA  21           H        ALA  21  -4.315  -5.191   1.979
  162    HA   ALA  21           HA       ALA  21  -6.280  -6.951   3.249
  163   1HB   ALA  21          1HB       ALA  21  -5.888  -5.249   5.001
  164   2HB   ALA  21          2HB       ALA  21  -6.118  -3.949   3.809
  165   3HB   ALA  21          3HB       ALA  21  -7.477  -4.981   4.260
  166    HA   PRO  22           HA       PRO  22  -8.244  -6.015  -0.593
  167   1HB   PRO  22          2HB       PRO  22 -10.939  -6.065  -0.063
  168   2HB   PRO  22          3HB       PRO  22  -9.900  -7.520  -0.053
  169   1HG   PRO  22          2HG       PRO  22 -10.711  -5.813   2.330
  170   2HG   PRO  22          3HG       PRO  22 -10.838  -7.597   2.157
  171   1HD   PRO  22          2HD       PRO  22  -8.754  -6.486   3.432
  172   2HD   PRO  22          3HD       PRO  22  -8.476  -7.852   2.316
  173    H    VAL  23           H        VAL  23  -8.692  -3.788   2.063
  174    HA   VAL  23           HA       VAL  23  -9.105  -1.575   0.175
  175    HB   VAL  23           HB       VAL  23 -10.707  -1.971   2.735
  176   1HG1  VAL  23          1HG1      VAL  23 -10.707   0.326   0.733
  177   2HG1  VAL  23          2HG1      VAL  23 -11.918   0.105   2.011
  178   3HG1  VAL  23          3HG1      VAL  23 -10.227   0.393   2.430
  179   1HG2  VAL  23          1HG2      VAL  23 -11.645  -3.389   1.029
  180   2HG2  VAL  23          2HG2      VAL  23 -12.715  -2.029   1.347
  181   3HG2  VAL  23          3HG2      VAL  23 -11.710  -2.046  -0.123
  182    H    VAL  24           H        VAL  24  -7.760   0.131   0.799
  183    HA   VAL  24           HA       VAL  24  -6.495   0.028   3.473
  184    HB   VAL  24           HB       VAL  24  -4.889   0.196   0.889
  185   1HG1  VAL  24          1HG1      VAL  24  -4.016  -0.023   3.806
  186   2HG1  VAL  24          2HG1      VAL  24  -2.936  -0.070   2.399
  187   3HG1  VAL  24          3HG1      VAL  24  -3.833   1.404   2.759
  188   1HG2  VAL  24          1HG2      VAL  24  -5.171  -2.147   2.806
  189   2HG2  VAL  24          2HG2      VAL  24  -5.681  -2.106   1.101
  190   3HG2  VAL  24          3HG2      VAL  24  -3.983  -2.031   1.508
  191    H    VAL  25           H        VAL  25  -6.145   2.058   4.277
  192    HA   VAL  25           HA       VAL  25  -6.854   4.385   2.551
  193    HB   VAL  25           HB       VAL  25  -7.472   3.981   5.506
  194   1HG1  VAL  25          1HG1      VAL  25  -8.955   5.938   5.172
  195   2HG1  VAL  25          2HG1      VAL  25  -7.277   6.339   4.795
  196   3HG1  VAL  25          3HG1      VAL  25  -8.421   6.056   3.475
  197   1HG2  VAL  25          1HG2      VAL  25  -8.831   2.378   4.240
  198   2HG2  VAL  25          2HG2      VAL  25  -9.817   3.700   4.856
  199   3HG2  VAL  25          3HG2      VAL  25  -9.356   3.671   3.139
  200    H    PHE  26           H        PHE  26  -4.774   5.068   2.055
  201    HA   PHE  26           HA       PHE  26  -2.758   5.464   4.165
  202   1HB   PHE  26          2HB       PHE  26  -2.959   6.411   1.285
  203   2HB   PHE  26          3HB       PHE  26  -1.596   6.725   2.340
  204    HD1  PHE  26           1HD      PHE  26  -0.189   4.756   3.193
  205    HD2  PHE  26           2HD      PHE  26  -3.225   4.291   0.165
  206    HE1  PHE  26           1HE      PHE  26   0.765   2.540   2.571
  207    HE2  PHE  26           2HE      PHE  26  -2.256   2.097  -0.465
  208    HZ   PHE  26           HZ       PHE  26  -0.263   1.222   0.733
  209    H    SER  27           H        SER  27  -2.877   7.198   5.534
  210    HA   SER  27           HA       SER  27  -4.598   9.530   4.940
  211   1HB   SER  27          2HB       SER  27  -5.800   8.877   7.172
  212   2HB   SER  27          3HB       SER  27  -6.264   8.062   5.682
  213    HG   SER  27           HG       SER  27  -5.069   6.272   6.311
  214    H    LYS  28           H        LYS  28  -4.769  10.583   7.496
  215    HA   LYS  28           HA       LYS  28  -2.161  10.307   8.803
  216   1HB   LYS  28          2HB       LYS  28  -3.219  12.940   7.731
  217   2HB   LYS  28          3HB       LYS  28  -2.193  12.888   9.175
  218   1HG   LYS  28          2HG       LYS  28  -0.497  11.573   7.889
  219   2HG   LYS  28          3HG       LYS  28  -1.470  11.804   6.428
  220   1HD   LYS  28          2HD       LYS  28  -1.180  14.271   6.653
  221   2HD   LYS  28          3HD       LYS  28  -0.172  14.000   8.098
  222   1HE   LYS  28          2HE       LYS  28   1.347  12.547   6.710
  223   2HE   LYS  28          3HE       LYS  28   0.368  12.920   5.288
  224   1HZ   LYS  28          1HZ       LYS  28   2.282  14.293   5.338
  225   2HZ   LYS  28          2HZ       LYS  28   0.993  15.272   5.605
  226   3HZ   LYS  28          3HZ       LYS  28   1.975  14.858   6.850
  227    H    THR  29           H        THR  29  -2.277  11.531  10.963
  228    HA   THR  29           HA       THR  29  -4.066   9.976  12.443
  229    HB   THR  29           HB       THR  29  -2.929  11.455  14.306
  230    HG1  THR  29           1HG      THR  29  -1.089  12.528  13.500
  231   1HG2  THR  29          1HG2      THR  29  -2.186   9.173  13.719
  232   2HG2  THR  29          2HG2      THR  29  -1.225   9.814  12.369
  233   3HG2  THR  29          3HG2      THR  29  -0.809  10.233  14.045
  234    H    TYR  30           H        TYR  30  -4.619  13.253  11.254
  235    HA   TYR  30           HA       TYR  30  -6.799  13.528  13.283
  236   1HB   TYR  30          2HB       TYR  30  -6.146  15.823  13.617
  237   2HB   TYR  30          3HB       TYR  30  -4.793  14.760  13.954
  238    HD1  TYR  30           1HD      TYR  30  -2.794  14.719  12.457
  239    HD2  TYR  30           2HD      TYR  30  -6.137  17.339  11.670
  240    HE1  TYR  30           1HE      TYR  30  -1.420  15.978  10.833
  241    HE2  TYR  30           2HE      TYR  30  -4.794  18.563  10.001
  242    HH   TYR  30           HH       TYR  30  -2.702  18.788   8.986
  243    H    CYS  31           H        CYS  31  -5.902  14.104   9.876
  244    HA   CYS  31           HA       CYS  31  -7.565  16.162   9.304
  245   1HB   CYS  31          2HB       CYS  31  -6.988  13.833   7.451
  246   2HB   CYS  31          3HB       CYS  31  -7.295  15.524   7.006
  247    H    GLY  32           H        GLY  32  -9.653  16.531   8.995
  248   1HA   GLY  32          1HA       GLY  32 -11.680  14.855   9.898
  249   2HA   GLY  32          2HA       GLY  32 -11.910  16.262   8.844
  250    H    TYR  33           H        TYR  33 -10.503  15.308   6.530
  251    HA   TYR  33           HA       TYR  33 -12.514  13.668   5.318
  252   1HB   TYR  33          2HB       TYR  33  -9.736  14.472   4.366
  253   2HB   TYR  33          3HB       TYR  33 -10.935  13.653   3.377
  254    HD1  TYR  33           1HD      TYR  33  -9.731  16.867   4.423
  255    HD2  TYR  33           2HD      TYR  33 -13.274  14.775   3.111
  256    HE1  TYR  33           1HE      TYR  33 -10.765  19.024   3.788
  257    HE2  TYR  33           2HE      TYR  33 -14.311  16.924   2.465
  258    HH   TYR  33           HH       TYR  33 -14.058  19.241   2.355
  259    H    CYS  34           H        CYS  34  -9.326  12.867   6.772
  260    HA   CYS  34           HA       CYS  34  -9.266  10.142   5.741
  261   1HB   CYS  34          2HB       CYS  34  -7.935  11.445   8.170
  262   2HB   CYS  34          3HB       CYS  34  -7.672   9.782   7.647
  263    HG   CYS  34           HG       CYS  34  -7.255  12.543   5.829
  264    H    ASN  35           H        ASN  35 -10.329  11.690   8.787
  265    HA   ASN  35           HA       ASN  35 -11.566   9.448  10.002
  266   1HB   ASN  35          2HB       ASN  35 -11.509  11.216  11.444
  267   2HB   ASN  35          3HB       ASN  35 -11.750  12.422  10.196
  268   1HD2  ASN  35          2HD2      ASN  35 -13.879  13.036   9.563
  269   2HD2  ASN  35          1HD2      ASN  35 -15.266  12.612  10.541
  270    H    ARG  36           H        ARG  36 -12.907  11.695   7.515
  271    HA   ARG  36           HA       ARG  36 -15.497  10.558   7.570
  272   1HB   ARG  36          2HB       ARG  36 -14.862  12.786   6.617
  273   2HB   ARG  36          3HB       ARG  36 -14.149  11.961   5.227
  274   1HG   ARG  36          2HG       ARG  36 -16.351  10.984   4.655
  275   2HG   ARG  36          3HG       ARG  36 -17.076  11.743   6.078
  276   1HD   ARG  36          2HD       ARG  36 -15.813  13.217   3.727
  277   2HD   ARG  36          3HD       ARG  36 -17.549  12.971   3.979
  278    HE   ARG  36           HE       ARG  36 -16.578  14.198   6.303
  279   1HH1  ARG  36          1HH2      ARG  36 -16.945  15.034   2.872
  280   2HH1  ARG  36          2HH2      ARG  36 -17.084  16.727   3.152
  281   1HH2  ARG  36          1HH1      ARG  36 -16.723  16.465   6.675
  282   2HH2  ARG  36          2HH1      ARG  36 -16.936  17.556   5.363
  283    H    VAL  37           H        VAL  37 -12.663   9.721   5.438
  284    HA   VAL  37           HA       VAL  37 -14.064   7.685   4.011
  285    HB   VAL  37           HB       VAL  37 -11.104   7.961   4.698
  286   1HG1  VAL  37          1HG1      VAL  37 -10.711   6.338   2.848
  287   2HG1  VAL  37          2HG1      VAL  37 -11.523   5.589   4.211
  288   3HG1  VAL  37          3HG1      VAL  37 -12.456   6.020   2.762
  289   1HG2  VAL  37          1HG2      VAL  37 -10.984   8.632   2.280
  290   2HG2  VAL  37          2HG2      VAL  37 -12.758   8.554   2.208
  291   3HG2  VAL  37          3HG2      VAL  37 -11.964   9.737   3.257
  292    H    LYS  38           H        LYS  38 -12.150   7.497   7.074
  293    HA   LYS  38           HA       LYS  38 -12.491   4.710   7.451
  294   1HB   LYS  38          2HB       LYS  38 -12.198   6.959   9.484
  295   2HB   LYS  38          3HB       LYS  38 -12.116   5.242   9.891
  296   1HG   LYS  38          2HG       LYS  38 -10.123   4.907   8.591
  297   2HG   LYS  38          3HG       LYS  38 -10.288   6.449   7.769
  298   1HD   LYS  38          2HD       LYS  38  -8.512   6.654   9.353
  299   2HD   LYS  38          3HD       LYS  38  -9.863   7.655   9.893
  300   1HE   LYS  38          2HE       LYS  38 -10.530   5.796  11.475
  301   2HE   LYS  38          3HE       LYS  38  -9.098   4.897  10.964
  302   1HZ   LYS  38          1HZ       LYS  38  -8.673   6.107  12.993
  303   2HZ   LYS  38          2HZ       LYS  38  -7.725   6.752  11.828
  304   3HZ   LYS  38          3HZ       LYS  38  -9.078   7.532  12.322
  305    H    GLN  39           H        GLN  39 -14.643   7.402   8.607
  306    HA   GLN  39           HA       GLN  39 -16.577   5.604   9.713
  307   1HB   GLN  39          2HB       GLN  39 -16.850   8.475   8.726
  308   2HB   GLN  39          3HB       GLN  39 -18.154   7.544   9.472
  309   1HG   GLN  39          2HG       GLN  39 -16.643   7.186  11.491
  310   2HG   GLN  39          3HG       GLN  39 -15.532   8.354  10.780
  311   1HE2  GLN  39          2HE2      GLN  39 -15.783  10.313  11.892
  312   2HE2  GLN  39          1HE2      GLN  39 -17.331  10.989  12.356
  313    H    LEU  40           H        LEU  40 -16.256   6.932   6.367
  314    HA   LEU  40           HA       LEU  40 -18.788   6.078   5.428
  315   1HB   LEU  40          2HB       LEU  40 -17.149   7.628   4.265
  316   2HB   LEU  40          3HB       LEU  40 -16.166   6.223   3.882
  317    HG   LEU  40           HG       LEU  40 -18.214   5.297   2.600
  318   1HD1  LEU  40          1HD1      LEU  40 -19.831   7.029   1.838
  319   2HD1  LEU  40          2HD1      LEU  40 -19.986   6.684   3.565
  320   3HD1  LEU  40          3HD1      LEU  40 -19.164   8.165   3.023
  321   1HD2  LEU  40          1HD2      LEU  40 -17.756   6.677   0.650
  322   2HD2  LEU  40          2HD2      LEU  40 -16.930   7.881   1.672
  323   3HD2  LEU  40          3HD2      LEU  40 -16.265   6.243   1.492
  324    H    LEU  41           H        LEU  41 -15.597   4.436   5.343
  325    HA   LEU  41           HA       LEU  41 -16.509   2.016   4.139
  326   1HB   LEU  41          2HB       LEU  41 -14.106   2.663   5.879
  327   2HB   LEU  41          3HB       LEU  41 -14.355   1.094   5.118
  328    HG   LEU  41           HG       LEU  41 -14.153   3.713   3.567
  329   1HD1  LEU  41          1HD1      LEU  41 -11.894   2.960   2.974
  330   2HD1  LEU  41          2HD1      LEU  41 -12.066   3.155   4.729
  331   3HD1  LEU  41          3HD1      LEU  41 -12.082   1.531   4.018
  332   1HD2  LEU  41          1HD2      LEU  41 -13.779   2.189   1.614
  333   2HD2  LEU  41          2HD2      LEU  41 -14.198   0.804   2.645
  334   3HD2  LEU  41          3HD2      LEU  41 -15.404   2.057   2.281
  335    H    THR  42           H        THR  42 -16.135   2.973   7.573
  336    HA   THR  42           HA       THR  42 -16.877   0.497   8.726
  337    HB   THR  42           HB       THR  42 -17.365   3.341   9.719
  338    HG1  THR  42           1HG      THR  42 -15.246   3.111   9.387
  339   1HG2  THR  42          1HG2      THR  42 -17.239   2.355  11.982
  340   2HG2  THR  42          2HG2      THR  42 -18.641   1.762  11.079
  341   3HG2  THR  42          3HG2      THR  42 -17.206   0.723  11.268
  342    H    GLN  43           H        GLN  43 -18.931   3.269   7.635
  343    HA   GLN  43           HA       GLN  43 -21.344   2.144   8.671
  344   1HB   GLN  43          2HB       GLN  43 -20.745   4.311   6.631
  345   2HB   GLN  43          3HB       GLN  43 -22.402   3.834   7.003
  346   1HG   GLN  43          2HG       GLN  43 -22.205   4.446   9.312
  347   2HG   GLN  43          3HG       GLN  43 -20.459   4.661   9.195
  348   1HE2  GLN  43          2HE2      GLN  43 -19.665   6.373   7.720
  349   2HE2  GLN  43          1HE2      GLN  43 -20.607   7.851   7.536
  350    H    VAL  44           H        VAL  44 -19.884   1.989   5.342
  351    HA   VAL  44           HA       VAL  44 -22.128   0.464   4.351
  352    HB   VAL  44           HB       VAL  44 -20.788   0.015   2.380
  353   1HG1  VAL  44          1HG1      VAL  44 -21.975   2.174   2.638
  354   2HG1  VAL  44          2HG1      VAL  44 -20.495   2.915   3.277
  355   3HG1  VAL  44          3HG1      VAL  44 -20.533   2.309   1.614
  356   1HG2  VAL  44          1HG2      VAL  44 -18.551  -0.314   3.316
  357   2HG2  VAL  44          2HG2      VAL  44 -18.531   0.975   2.098
  358   3HG2  VAL  44          3HG2      VAL  44 -18.503   1.388   3.816
  359    H    GLY  45           H        GLY  45 -19.453  -0.415   6.370
  360   1HA   GLY  45          1HA       GLY  45 -19.382  -2.375   7.599
  361   2HA   GLY  45          2HA       GLY  45 -20.461  -3.182   6.449
  362    H    ALA  46           H        ALA  46 -17.549  -1.377   5.427
  363    HA   ALA  46           HA       ALA  46 -16.498  -3.755   4.088
  364   1HB   ALA  46          1HB       ALA  46 -14.742  -2.191   3.328
  365   2HB   ALA  46          2HB       ALA  46 -16.351  -1.508   3.029
  366   3HB   ALA  46          3HB       ALA  46 -15.380  -0.931   4.399
  367    H    SER  47           H        SER  47 -14.513  -4.666   4.537
  368    HA   SER  47           HA       SER  47 -13.299  -4.240   7.232
  369   1HB   SER  47          2HB       SER  47 -12.946  -6.480   5.183
  370   2HB   SER  47          3HB       SER  47 -12.186  -6.396   6.784
  371    HG   SER  47           HG       SER  47 -14.077  -7.699   6.778
  372    H    TYR  48           H        TYR  48 -11.408  -3.034   7.231
  373    HA   TYR  48           HA       TYR  48  -9.888  -2.688   4.730
  374   1HB   TYR  48          2HB       TYR  48 -10.146  -0.288   4.745
  375   2HB   TYR  48          3HB       TYR  48 -11.719  -1.044   4.605
  376    HD1  TYR  48           1HD      TYR  48 -13.339  -0.988   6.524
  377    HD2  TYR  48           2HD      TYR  48  -9.598   1.156   6.601
  378    HE1  TYR  48           1HE      TYR  48 -14.189   0.400   8.392
  379    HE2  TYR  48           2HE      TYR  48 -10.443   2.536   8.485
  380    HH   TYR  48           HH       TYR  48 -13.691   2.116   9.900
  381    H    LYS  49           H        LYS  49  -7.968  -1.357   5.061
  382    HA   LYS  49           HA       LYS  49  -6.828  -1.478   7.823
  383   1HB   LYS  49          2HB       LYS  49  -5.821  -3.128   6.339
  384   2HB   LYS  49          3HB       LYS  49  -5.560  -1.915   5.081
  385   1HG   LYS  49          2HG       LYS  49  -3.846  -0.806   6.391
  386   2HG   LYS  49          3HG       LYS  49  -4.213  -1.817   7.810
  387   1HD   LYS  49          2HD       LYS  49  -3.522  -3.825   6.576
  388   2HD   LYS  49          3HD       LYS  49  -3.180  -2.856   5.131
  389   1HE   LYS  49          2HE       LYS  49  -1.277  -1.838   6.084
  390   2HE   LYS  49          3HE       LYS  49  -1.810  -2.166   7.744
  391   1HZ   LYS  49          1HZ       LYS  49   0.002  -3.633   7.043
  392   2HZ   LYS  49          2HZ       LYS  49  -1.334  -4.495   7.395
  393   3HZ   LYS  49          3HZ       LYS  49  -0.936  -4.238   5.827
  394    H    VAL  50           H        VAL  50  -5.307   0.278   8.275
  395    HA   VAL  50           HA       VAL  50  -5.730   2.730   6.653
  396    HB   VAL  50           HB       VAL  50  -5.859   2.570   9.694
  397   1HG1  VAL  50          1HG1      VAL  50  -6.655   4.878   9.567
  398   2HG1  VAL  50          2HG1      VAL  50  -5.129   4.763   8.692
  399   3HG1  VAL  50          3HG1      VAL  50  -6.651   4.824   7.791
  400   1HG2  VAL  50          1HG2      VAL  50  -8.167   2.831   7.727
  401   2HG2  VAL  50          2HG2      VAL  50  -7.900   1.497   8.878
  402   3HG2  VAL  50          3HG2      VAL  50  -8.284   3.104   9.482
  403    H    VAL  51           H        VAL  51  -3.889   4.015   6.586
  404    HA   VAL  51           HA       VAL  51  -1.487   3.186   8.127
  405    HB   VAL  51           HB       VAL  51  -1.542   3.845   5.148
  406   1HG1  VAL  51          1HG1      VAL  51   0.849   3.360   5.190
  407   2HG1  VAL  51          2HG1      VAL  51   0.507   4.626   6.362
  408   3HG1  VAL  51          3HG1      VAL  51   0.782   2.963   6.923
  409   1HG2  VAL  51          1HG2      VAL  51  -2.387   1.574   5.449
  410   2HG2  VAL  51          2HG2      VAL  51  -0.754   1.526   4.795
  411   3HG2  VAL  51          3HG2      VAL  51  -1.024   1.177   6.520
  412    H    GLU  52           H        GLU  52  -1.861   4.911   9.546
  413    HA   GLU  52           HA       GLU  52  -2.420   7.582   8.476
  414   1HB   GLU  52          2HB       GLU  52  -1.957   6.629  11.330
  415   2HB   GLU  52          3HB       GLU  52  -2.386   8.283  10.838
  416   1HG   GLU  52          2HG       GLU  52  -4.446   7.376   9.728
  417   2HG   GLU  52          3HG       GLU  52  -4.049   5.775  10.372
  418    H    LEU  53           H        LEU  53  -0.701   8.171   7.258
  419    HA   LEU  53           HA       LEU  53   1.914   7.368   7.401
  420   1HB   LEU  53          2HB       LEU  53   0.594   9.876   6.304
  421   2HB   LEU  53          3HB       LEU  53   2.334   9.762   6.302
  422    HG   LEU  53           HG       LEU  53   1.528   9.204   4.157
  423   1HD1  LEU  53          1HD1      LEU  53   2.440   6.575   5.382
  424   2HD1  LEU  53          2HD1      LEU  53   2.685   7.181   3.731
  425   3HD1  LEU  53          3HD1      LEU  53   3.503   7.968   5.088
  426   1HD2  LEU  53          1HD2      LEU  53  -0.009   6.870   5.323
  427   2HD2  LEU  53          2HD2      LEU  53  -0.716   8.354   4.633
  428   3HD2  LEU  53          3HD2      LEU  53   0.210   7.248   3.607
  429    H    ASP  54           H        ASP  54   0.531  10.173   9.151
  430    HA   ASP  54           HA       ASP  54   3.022  11.297   9.936
  431   1HB   ASP  54          2HB       ASP  54   0.888  12.519  10.027
  432   2HB   ASP  54          3HB       ASP  54   0.294  11.429  11.280
  433    H    GLU  55           H        GLU  55   1.221   8.556  11.278
  434    HA   GLU  55           HA       GLU  55   2.713   8.583  13.819
  435   1HB   GLU  55          2HB       GLU  55   0.298   7.943  13.651
  436   2HB   GLU  55          3HB       GLU  55   0.754   6.543  12.674
  437   1HG   GLU  55          2HG       GLU  55   2.045   5.621  14.556
  438   2HG   GLU  55          3HG       GLU  55   1.749   7.080  15.506
  439    H    LEU  56           H        LEU  56   2.899   7.145  10.611
  440    HA   LEU  56           HA       LEU  56   4.273   4.756  11.305
  441   1HB   LEU  56          2HB       LEU  56   3.009   5.137   9.193
  442   2HB   LEU  56          3HB       LEU  56   4.233   6.303   8.685
  443    HG   LEU  56           HG       LEU  56   5.949   4.504   8.659
  444   1HD1  LEU  56          1HD1      LEU  56   5.032   2.910  10.312
  445   2HD1  LEU  56          2HD1      LEU  56   3.608   2.644   9.284
  446   3HD1  LEU  56          3HD1      LEU  56   5.218   2.124   8.747
  447   1HD2  LEU  56          1HD2      LEU  56   4.695   5.099   6.637
  448   2HD2  LEU  56          2HD2      LEU  56   5.120   3.377   6.657
  449   3HD2  LEU  56          3HD2      LEU  56   3.456   3.887   7.029
  450    H    SER  57           H        SER  57   6.426   4.249  11.472
  451    HA   SER  57           HA       SER  57   8.230   6.106  12.353
  452   1HB   SER  57          2HB       SER  57   8.950   3.422  11.129
  453   2HB   SER  57          3HB       SER  57   9.740   4.254  12.481
  454    HG   SER  57           HG       SER  57   8.352   2.580  13.197
  455    H    ASP  58           H        ASP  58   7.610   5.382   8.987
  456    HA   ASP  58           HA       ASP  58   9.969   7.016   8.182
  457   1HB   ASP  58          2HB       ASP  58  10.327   4.555   7.825
  458   2HB   ASP  58          3HB       ASP  58   8.923   4.543   6.756
  459    H    GLY  59           H        GLY  59   7.177   7.675   8.764
  460   1HA   GLY  59          1HA       GLY  59   5.280   7.669   6.876
  461   2HA   GLY  59          2HA       GLY  59   5.549   9.025   7.981
  462    H    SER  60           H        SER  60   7.688  10.402   7.072
  463    HA   SER  60           HA       SER  60   6.665  11.837   4.941
  464   1HB   SER  60          2HB       SER  60   9.615  11.659   5.652
  465   2HB   SER  60          3HB       SER  60   8.745  13.042   4.964
  466    HG   SER  60           HG       SER  60   9.078  13.253   7.228
  467    H    GLN  61           H        GLN  61   9.099   9.187   4.769
  468    HA   GLN  61           HA       GLN  61   9.522   9.632   1.907
  469   1HB   GLN  61          2HB       GLN  61  10.394   7.309   3.664
  470   2HB   GLN  61          3HB       GLN  61  10.911   7.625   2.001
  471   1HG   GLN  61          2HG       GLN  61  11.746   9.907   2.835
  472   2HG   GLN  61          3HG       GLN  61  11.504   9.297   4.475
  473   1HE2  GLN  61          2HE2      GLN  61  12.651   7.085   4.941
  474   2HE2  GLN  61          1HE2      GLN  61  14.295   6.956   4.276
  475    H    LEU  62           H        LEU  62   7.576   7.425   3.961
  476    HA   LEU  62           HA       LEU  62   6.622   5.800   1.823
  477   1HB   LEU  62          2HB       LEU  62   6.513   5.614   4.480
  478   2HB   LEU  62          3HB       LEU  62   4.990   6.431   4.280
  479    HG   LEU  62           HG       LEU  62   4.656   4.065   4.468
  480   1HD1  LEU  62          1HD1      LEU  62   3.412   3.449   2.495
  481   2HD1  LEU  62          2HD1      LEU  62   3.140   5.160   2.836
  482   3HD1  LEU  62          3HD1      LEU  62   4.245   4.676   1.528
  483   1HD2  LEU  62          1HD2      LEU  62   5.619   2.399   3.020
  484   2HD2  LEU  62          2HD2      LEU  62   6.450   3.636   2.063
  485   3HD2  LEU  62          3HD2      LEU  62   6.920   3.364   3.752
  486    H    GLN  63           H        GLN  63   5.338   8.862   3.242
  487    HA   GLN  63           HA       GLN  63   3.096   9.044   1.499
  488   1HB   GLN  63          2HB       GLN  63   3.549  10.412   3.628
  489   2HB   GLN  63          3HB       GLN  63   4.653  11.396   2.654
  490   1HG   GLN  63          2HG       GLN  63   2.687  11.761   1.039
  491   2HG   GLN  63          3HG       GLN  63   1.654  10.975   2.227
  492   1HE2  GLN  63          2HE2      GLN  63   1.131  13.522   1.308
  493   2HE2  GLN  63          1HE2      GLN  63   1.462  14.718   2.545
  494    H    SER  64           H        SER  64   6.495  10.222   1.179
  495    HA   SER  64           HA       SER  64   6.144  11.531  -1.322
  496   1HB   SER  64          2HB       SER  64   8.629  10.127  -0.249
  497   2HB   SER  64          3HB       SER  64   8.573  11.329  -1.546
  498    HG   SER  64           HG       SER  64   7.922  11.695   1.209
  499    H    ALA  65           H        ALA  65   6.851   8.079  -0.557
  500    HA   ALA  65           HA       ALA  65   7.117   7.232  -3.262
  501   1HB   ALA  65          1HB       ALA  65   6.715   5.005  -2.399
  502   2HB   ALA  65          2HB       ALA  65   7.830   5.875  -1.331
  503   3HB   ALA  65          3HB       ALA  65   6.126   5.646  -0.856
  504    H    LEU  66           H        LEU  66   4.213   7.422  -1.100
  505    HA   LEU  66           HA       LEU  66   2.364   6.453  -3.026
  506   1HB   LEU  66          2HB       LEU  66   2.149   8.118  -0.541
  507   2HB   LEU  66          3HB       LEU  66   0.863   8.346  -1.702
  508    HG   LEU  66           HG       LEU  66   0.226   6.729  -0.038
  509   1HD1  LEU  66          1HD1      LEU  66  -0.604   4.954  -1.436
  510   2HD1  LEU  66          2HD1      LEU  66  -0.663   6.469  -2.351
  511   3HD1  LEU  66          3HD1      LEU  66   0.601   5.270  -2.689
  512   1HD2  LEU  66          1HD2      LEU  66   2.408   5.849   0.558
  513   2HD2  LEU  66          2HD2      LEU  66   1.304   4.529   0.147
  514   3HD2  LEU  66          3HD2      LEU  66   2.556   5.034  -1.010
  515    H    ALA  67           H        ALA  67   3.455   9.848  -2.430
  516    HA   ALA  67           HA       ALA  67   1.911  11.020  -4.440
  517   1HB   ALA  67          1HB       ALA  67   3.329  12.222  -2.704
  518   2HB   ALA  67          2HB       ALA  67   4.755  11.842  -3.678
  519   3HB   ALA  67          3HB       ALA  67   3.485  12.875  -4.350
  520    H    HIS  68           H        HIS  68   5.220   9.702  -4.733
  521    HA   HIS  68           HA       HIS  68   5.603  10.131  -7.495
  522   1HB   HIS  68          2HB       HIS  68   7.538   9.556  -6.406
  523   2HB   HIS  68          3HB       HIS  68   6.745   8.430  -5.321
  524    HD1  HIS  68           1HD      HIS  68   8.347   8.411  -8.819
  525    HD2  HIS  68           2HD      HIS  68   6.571   5.903  -5.936
  526    HE1  HIS  68           1HE      HIS  68   8.823   6.021  -9.560
  527    H    TRP  69           H        TRP  69   4.094   7.357  -5.788
  528    HA   TRP  69           HA       TRP  69   3.919   5.759  -8.155
  529   1HB   TRP  69          2HB       TRP  69   4.238   4.934  -5.844
  530   2HB   TRP  69          3HB       TRP  69   2.638   5.504  -5.408
  531    HD1  TRP  69           HD1      TRP  69   3.050   3.598  -8.704
  532    HE1  TRP  69           HE1      TRP  69   1.883   1.369  -8.541
  533    HE3  TRP  69           HE3      TRP  69   2.109   3.579  -3.670
  534    HZ2  TRP  69           HZ2      TRP  69   0.573  -0.235  -6.485
  535    HZ3  TRP  69           HZ3      TRP  69   0.893   1.672  -2.636
  536    HH2  TRP  69           HH2      TRP  69   0.112  -0.221  -4.042
  537    H    THR  70           H        THR  70   1.540   7.792  -6.404
  538    HA   THR  70           HA       THR  70  -0.585   6.828  -8.261
  539    HB   THR  70           HB       THR  70  -2.139   7.496  -6.492
  540    HG1  THR  70           1HG      THR  70   0.184   8.114  -4.962
  541   1HG2  THR  70          1HG2      THR  70   0.058   5.718  -5.361
  542   2HG2  THR  70          2HG2      THR  70  -1.643   5.797  -4.854
  543   3HG2  THR  70          3HG2      THR  70  -1.230   5.190  -6.468
  544    H    GLY  71           H        GLY  71   1.278   9.685  -7.659
  545   1HA   GLY  71          1HA       GLY  71   1.057  11.829  -8.406
  546   2HA   GLY  71          2HA       GLY  71  -0.325  11.341  -9.409
  547    H    ARG  72           H        ARG  72  -0.407  10.545  -5.989
  548    HA   ARG  72           HA       ARG  72  -2.264  12.771  -5.347
  549   1HB   ARG  72          2HB       ARG  72  -3.457  10.806  -6.379
  550   2HB   ARG  72          3HB       ARG  72  -2.913   9.808  -5.040
  551   1HG   ARG  72          2HG       ARG  72  -4.112  11.489  -3.481
  552   2HG   ARG  72          3HG       ARG  72  -4.765  12.226  -4.945
  553   1HD   ARG  72          2HD       ARG  72  -5.246   9.437  -3.846
  554   2HD   ARG  72          3HD       ARG  72  -6.438  10.705  -4.101
  555    HE   ARG  72           HE       ARG  72  -5.359   8.781  -6.027
  556   1HH1  ARG  72          1HH2      ARG  72  -7.045  11.918  -5.826
  557   2HH1  ARG  72          2HH2      ARG  72  -7.581  11.863  -7.463
  558   1HH2  ARG  72          1HH1      ARG  72  -6.013   8.719  -8.094
  559   2HH2  ARG  72          2HH1      ARG  72  -6.988   9.967  -8.821
  560    H    GLY  73           H        GLY  73  -0.003  13.164  -4.372
  561   1HA   GLY  73          1HA       GLY  73   0.860  11.654  -2.077
  562   2HA   GLY  73          2HA       GLY  73   1.342  13.302  -2.532
  563    H    THR  74           H        THR  74  -1.780  13.867  -2.531
  564    HA   THR  74           HA       THR  74  -2.080  14.952   0.087
  565    HB   THR  74           HB       THR  74  -4.540  15.015  -0.879
  566    HG1  THR  74           1HG      THR  74  -4.654  14.691  -3.072
  567   1HG2  THR  74          1HG2      THR  74  -3.024  16.969  -0.807
  568   2HG2  THR  74          2HG2      THR  74  -2.255  16.445  -2.320
  569   3HG2  THR  74          3HG2      THR  74  -3.962  16.943  -2.306
  570    H    VAL  75           H        VAL  75  -4.030  14.305   1.469
  571    HA   VAL  75           HA       VAL  75  -4.459  11.391   1.516
  572    HB   VAL  75           HB       VAL  75  -4.345  11.546   4.048
  573   1HG1  VAL  75          1HG1      VAL  75  -2.673  10.361   2.674
  574   2HG1  VAL  75          2HG1      VAL  75  -1.732  11.859   2.521
  575   3HG1  VAL  75          3HG1      VAL  75  -1.948  11.096   4.111
  576   1HG2  VAL  75          1HG2      VAL  75  -2.623  14.008   3.538
  577   2HG2  VAL  75          2HG2      VAL  75  -4.252  14.034   4.254
  578   3HG2  VAL  75          3HG2      VAL  75  -2.938  13.203   5.086
  579    HA   PRO  76           HA       PRO  76  -5.754  10.038   2.920
  580   1HB   PRO  76          2HB       PRO  76  -8.083   8.687   2.468
  581   2HB   PRO  76          3HB       PRO  76  -7.709   9.492   4.018
  582   1HG   PRO  76          2HG       PRO  76  -9.376  10.534   1.718
  583   2HG   PRO  76          3HG       PRO  76  -9.755  10.564   3.470
  584   1HD   PRO  76          2HD       PRO  76  -8.704  12.725   2.123
  585   2HD   PRO  76          3HD       PRO  76  -8.334  12.397   3.839
  586    H    ASN  77           H        ASN  77  -5.564   8.230   1.460
  587    HA   ASN  77           HA       ASN  77  -6.214   8.635  -1.412
  588   1HB   ASN  77          2HB       ASN  77  -3.903   9.404  -1.075
  589   2HB   ASN  77          3HB       ASN  77  -3.486   7.920  -0.234
  590   1HD2  ASN  77          2HD2      ASN  77  -2.250   9.072  -2.650
  591   2HD2  ASN  77          1HD2      ASN  77  -2.356   7.839  -3.857
  592    H    VAL  78           H        VAL  78  -7.534   6.951  -1.789
  593    HA   VAL  78           HA       VAL  78  -7.461   4.681   0.122
  594    HB   VAL  78           HB       VAL  78  -9.768   5.513  -1.680
  595   1HG1  VAL  78          1HG1      VAL  78 -11.080   4.293   0.107
  596   2HG1  VAL  78          2HG1      VAL  78  -9.962   3.250  -0.774
  597   3HG1  VAL  78          3HG1      VAL  78  -9.546   3.819   0.853
  598   1HG2  VAL  78          1HG2      VAL  78 -10.743   6.614   0.363
  599   2HG2  VAL  78          2HG2      VAL  78  -9.151   6.468   1.148
  600   3HG2  VAL  78          3HG2      VAL  78  -9.360   7.472  -0.304
  601    H    PHE  79           H        PHE  79  -7.326   2.625  -0.558
  602    HA   PHE  79           HA       PHE  79  -7.112   2.031  -3.463
  603   1HB   PHE  79          2HB       PHE  79  -5.461   1.106  -1.084
  604   2HB   PHE  79          3HB       PHE  79  -5.666   0.068  -2.474
  605    HD1  PHE  79           1HD      PHE  79  -3.990   0.042  -4.044
  606    HD2  PHE  79           2HD      PHE  79  -4.635   3.656  -1.774
  607    HE1  PHE  79           1HE      PHE  79  -2.022   1.078  -5.130
  608    HE2  PHE  79           2HE      PHE  79  -2.647   4.669  -2.842
  609    HZ   PHE  79           HZ       PHE  79  -1.321   3.374  -4.507
  610    H    ILE  80           H        ILE  80  -8.123   0.147  -4.095
  611    HA   ILE  80           HA       ILE  80  -9.303  -1.622  -2.091
  612    HB   ILE  80           HB       ILE  80 -10.978  -0.405  -4.336
  613   1HG1  ILE  80          2HG1      ILE  80 -11.259  -0.224  -1.314
  614   2HG1  ILE  80          3HG1      ILE  80 -10.813   1.095  -2.382
  615   1HG2  ILE  80          1HG2      ILE  80 -11.575  -2.676  -2.394
  616   2HG2  ILE  80          2HG2      ILE  80 -12.796  -1.905  -3.416
  617   3HG2  ILE  80          3HG2      ILE  80 -11.468  -2.754  -4.169
  618   1HD1  ILE  80          1HD1      ILE  80 -13.071   0.974  -3.445
  619   2HD1  ILE  80          2HD1      ILE  80 -13.545  -0.225  -2.218
  620   3HD1  ILE  80          3HD1      ILE  80 -13.080   1.407  -1.729
  621    H    GLY  81           H        GLY  81  -9.200  -3.736  -2.853
  622   1HA   GLY  81          1HA       GLY  81  -8.490  -5.501  -4.124
  623   2HA   GLY  81          2HA       GLY  81  -9.090  -4.591  -5.522
  624    H    GLY  82           H        GLY  82  -6.437  -3.394  -3.477
  625   1HA   GLY  82          1HA       GLY  82  -4.187  -3.237  -3.803
  626   2HA   GLY  82          2HA       GLY  82  -4.294  -4.443  -5.088
  627    H    LYS  83           H        LYS  83  -6.371  -1.603  -5.575
  628    HA   LYS  83           HA       LYS  83  -4.186  -0.188  -7.024
  629   1HB   LYS  83          2HB       LYS  83  -5.659   0.280  -8.905
  630   2HB   LYS  83          3HB       LYS  83  -5.337  -1.446  -8.739
  631   1HG   LYS  83          2HG       LYS  83  -7.576  -1.805  -7.758
  632   2HG   LYS  83          3HG       LYS  83  -7.887  -0.064  -7.772
  633   1HD   LYS  83          2HD       LYS  83  -9.037  -1.038  -9.623
  634   2HD   LYS  83          3HD       LYS  83  -7.698  -0.064 -10.252
  635   1HE   LYS  83          2HE       LYS  83  -6.342  -2.129 -10.555
  636   2HE   LYS  83          3HE       LYS  83  -7.656  -3.098  -9.878
  637   1HZ   LYS  83          1HZ       LYS  83  -7.815  -1.525 -12.386
  638   2HZ   LYS  83          2HZ       LYS  83  -7.669  -3.143 -12.289
  639   3HZ   LYS  83          3HZ       LYS  83  -9.031  -2.424 -11.762
  640    H    GLN  84           H        GLN  84  -4.522   2.125  -7.183
  641    HA   GLN  84           HA       GLN  84  -5.939   3.219  -4.936
  642   1HB   GLN  84          2HB       GLN  84  -5.411   5.377  -5.724
  643   2HB   GLN  84          3HB       GLN  84  -3.977   4.381  -5.896
  644   1HG   GLN  84          2HG       GLN  84  -4.187   4.306  -8.287
  645   2HG   GLN  84          3HG       GLN  84  -5.828   4.948  -8.259
  646   1HE2  GLN  84          2HE2      GLN  84  -2.975   5.940  -9.319
  647   2HE2  GLN  84          1HE2      GLN  84  -3.025   7.634  -8.861
  648    H    ILE  85           H        ILE  85  -7.838   4.471  -4.937
  649    HA   ILE  85           HA       ILE  85  -9.654   4.125  -7.296
  650    HB   ILE  85           HB       ILE  85 -10.313   4.269  -4.327
  651   1HG1  ILE  85          2HG1      ILE  85  -9.452   2.076  -4.840
  652   2HG1  ILE  85          3HG1      ILE  85 -11.183   1.995  -4.588
  653   1HG2  ILE  85          1HG2      ILE  85 -12.076   5.392  -5.543
  654   2HG2  ILE  85          2HG2      ILE  85 -12.174   4.077  -6.728
  655   3HG2  ILE  85          3HG2      ILE  85 -12.661   3.806  -5.036
  656   1HD1  ILE  85          1HD1      ILE  85 -10.555   0.531  -6.423
  657   2HD1  ILE  85          2HD1      ILE  85 -11.523   1.864  -7.076
  658   3HD1  ILE  85          3HD1      ILE  85  -9.763   1.850  -7.283
  659    H    GLY  86           H        GLY  86  -8.694   6.312  -4.542
  660   1HA   GLY  86          1HA       GLY  86  -8.348   8.603  -5.985
  661   2HA   GLY  86          2HA       GLY  86 -10.092   8.546  -5.733
  662    H    GLY  87           H        GLY  87 -10.089  10.342  -4.400
  663   1HA   GLY  87          1HA       GLY  87  -8.741  10.144  -1.733
  664   2HA   GLY  87          2HA       GLY  87  -9.303  11.634  -2.500
  665    H    CYS  88           H        CYS  88 -10.371  11.743  -0.286
  666    HA   CYS  88           HA       CYS  88 -12.455  10.036   0.526
  667   1HB   CYS  88          2HB       CYS  88 -11.416  11.821   1.946
  668   2HB   CYS  88          3HB       CYS  88 -12.246  13.054   0.973
  669    HG   CYS  88           HG       CYS  88 -14.677  12.028   1.407
  670    H    ASP  89           H        ASP  89 -12.617  12.992  -1.531
  671    HA   ASP  89           HA       ASP  89 -15.432  13.019  -1.800
  672   1HB   ASP  89          2HB       ASP  89 -14.021  14.918  -2.430
  673   2HB   ASP  89          3HB       ASP  89 -13.256  13.967  -3.708
  674    H    THR  90           H        THR  90 -12.956  11.175  -3.633
  675    HA   THR  90           HA       THR  90 -14.700  10.281  -5.681
  676    HB   THR  90           HB       THR  90 -12.349   8.706  -4.581
  677    HG1  THR  90           1HG      THR  90 -12.228  11.041  -6.188
  678   1HG2  THR  90          1HG2      THR  90 -13.509   7.631  -6.395
  679   2HG2  THR  90          2HG2      THR  90 -13.525   9.124  -7.357
  680   3HG2  THR  90          3HG2      THR  90 -11.994   8.282  -7.038
  681    H    VAL  91           H        VAL  91 -13.746   8.712  -2.511
  682    HA   VAL  91           HA       VAL  91 -15.477   6.476  -3.121
  683    HB   VAL  91           HB       VAL  91 -15.091   5.771  -0.776
  684   1HG1  VAL  91          1HG1      VAL  91 -13.656   5.076  -2.683
  685   2HG1  VAL  91          2HG1      VAL  91 -12.578   6.456  -2.373
  686   3HG1  VAL  91          3HG1      VAL  91 -12.761   5.168  -1.165
  687   1HG2  VAL  91          1HG2      VAL  91 -13.406   6.837   0.593
  688   2HG2  VAL  91          2HG2      VAL  91 -13.157   8.120  -0.602
  689   3HG2  VAL  91          3HG2      VAL  91 -14.693   8.011   0.284
  690    H    VAL  92           H        VAL  92 -16.016   9.549  -1.330
  691    HA   VAL  92           HA       VAL  92 -18.581   8.758  -0.319
  692    HB   VAL  92           HB       VAL  92 -17.344  11.467  -0.972
  693   1HG1  VAL  92          1HG1      VAL  92 -19.769  11.784  -1.108
  694   2HG1  VAL  92          2HG1      VAL  92 -20.002  10.911   0.422
  695   3HG1  VAL  92          3HG1      VAL  92 -19.167  12.480   0.396
  696   1HG2  VAL  92          1HG2      VAL  92 -16.361  10.170   0.957
  697   2HG2  VAL  92          2HG2      VAL  92 -17.132  11.676   1.460
  698   3HG2  VAL  92          3HG2      VAL  92 -17.965  10.127   1.705
  699    H    GLU  93           H        GLU  93 -17.563  10.337  -3.452
  700    HA   GLU  93           HA       GLU  93 -20.169  10.588  -4.517
  701   1HB   GLU  93          2HB       GLU  93 -18.203  11.695  -5.465
  702   2HB   GLU  93          3HB       GLU  93 -17.493  10.139  -5.924
  703   1HG   GLU  93          2HG       GLU  93 -19.365   9.711  -7.465
  704   2HG   GLU  93          3HG       GLU  93 -20.141  11.219  -6.977
  705    H    LYS  94           H        LYS  94 -17.797   7.887  -4.828
  706    HA   LYS  94           HA       LYS  94 -19.497   6.234  -6.421
  707   1HB   LYS  94          2HB       LYS  94 -17.182   5.554  -4.566
  708   2HB   LYS  94          3HB       LYS  94 -17.984   4.376  -5.623
  709   1HG   LYS  94          2HG       LYS  94 -17.385   5.644  -7.613
  710   2HG   LYS  94          3HG       LYS  94 -16.734   6.958  -6.661
  711   1HD   LYS  94          2HD       LYS  94 -14.827   5.797  -7.376
  712   2HD   LYS  94          3HD       LYS  94 -15.039   5.325  -5.697
  713   1HE   LYS  94          2HE       LYS  94 -14.499   3.332  -6.835
  714   2HE   LYS  94          3HE       LYS  94 -16.238   3.221  -6.555
  715   1HZ   LYS  94          1HZ       LYS  94 -15.641   2.594  -8.828
  716   2HZ   LYS  94          2HZ       LYS  94 -16.570   3.937  -8.885
  717   3HZ   LYS  94          3HZ       LYS  94 -14.948   4.039  -9.109
  718    H    HIS  95           H        HIS  95 -19.352   6.629  -2.836
  719    HA   HIS  95           HA       HIS  95 -21.214   4.470  -2.386
  720   1HB   HIS  95          2HB       HIS  95 -19.806   5.383  -0.575
  721   2HB   HIS  95          3HB       HIS  95 -20.631   6.935  -0.698
  722    HD1  HIS  95           1HD      HIS  95 -22.202   3.353  -0.445
  723    HD2  HIS  95           2HD      HIS  95 -22.164   7.143   1.387
  724    HE1  HIS  95           1HE      HIS  95 -23.960   3.276   1.378
  725    H    GLN  96           H        GLN  96 -21.619   8.025  -2.884
  726    HA   GLN  96           HA       GLN  96 -24.403   8.083  -2.465
  727   1HB   GLN  96          2HB       GLN  96 -22.549   9.844  -4.101
  728   2HB   GLN  96          3HB       GLN  96 -24.269  10.195  -3.922
  729   1HG   GLN  96          2HG       GLN  96 -24.099  10.379  -1.531
  730   2HG   GLN  96          3HG       GLN  96 -22.428   9.844  -1.514
  731   1HE2  GLN  96          2HE2      GLN  96 -23.602  12.398  -0.502
  732   2HE2  GLN  96          1HE2      GLN  96 -22.742  13.668  -1.334
  733    H    ARG  97           H        ARG  97 -22.595   7.423  -5.532
  734    HA   ARG  97           HA       ARG  97 -25.175   6.906  -6.883
  735   1HB   ARG  97          2HB       ARG  97 -23.964   6.592  -8.907
  736   2HB   ARG  97          3HB       ARG  97 -23.484   8.098  -8.144
  737   1HG   ARG  97          2HG       ARG  97 -21.348   7.238  -7.528
  738   2HG   ARG  97          3HG       ARG  97 -21.819   5.562  -7.855
  739   1HD   ARG  97          2HD       ARG  97 -21.961   5.999 -10.235
  740   2HD   ARG  97          3HD       ARG  97 -21.738   7.730  -9.993
  741    HE   ARG  97           HE       ARG  97 -19.670   5.591  -9.659
  742   1HH1  ARG  97          1HH2      ARG  97 -20.347   9.068  -9.938
  743   2HH1  ARG  97          2HH2      ARG  97 -18.667   9.504  -9.875
  744   1HH2  ARG  97          1HH1      ARG  97 -17.619   6.084  -9.935
  745   2HH2  ARG  97          2HH1      ARG  97 -17.042   7.736 -10.096
  746    H    ASN  98           H        ASN  98 -23.770   5.131  -4.654
  747    HA   ASN  98           HA       ASN  98 -23.563   3.007  -4.094
  748   1HB   ASN  98          2HB       ASN  98 -26.037   3.266  -4.289
  749   2HB   ASN  98          3HB       ASN  98 -25.948   2.547  -5.902
  750   1HD2  ASN  98          2HD2      ASN  98 -27.014   0.554  -5.497
  751   2HD2  ASN  98          1HD2      ASN  98 -26.457  -0.604  -4.318
  752    H    GLU  99           H        GLU  99 -21.750   3.659  -6.032
  753    HA   GLU  99           HA       GLU  99 -21.412   1.205  -7.691
  754   1HB   GLU  99          2HB       GLU  99 -21.146   3.429  -8.755
  755   2HB   GLU  99          3HB       GLU  99 -19.862   3.826  -7.606
  756   1HG   GLU  99          2HG       GLU  99 -18.475   1.991  -8.515
  757   2HG   GLU  99          3HG       GLU  99 -19.791   1.516  -9.601
  758    H    LEU 100           H        LEU 100 -20.266   2.925  -4.816
  759    HA   LEU 100           HA       LEU 100 -17.780   1.599  -4.500
  760   1HB   LEU 100          2HB       LEU 100 -18.428   3.632  -3.238
  761   2HB   LEU 100          3HB       LEU 100 -19.654   2.705  -2.366
  762    HG   LEU 100           HG       LEU 100 -17.865   1.316  -1.344
  763   1HD1  LEU 100          1HD1      LEU 100 -15.955   3.203  -2.800
  764   2HD1  LEU 100          2HD1      LEU 100 -15.495   2.081  -1.501
  765   3HD1  LEU 100          3HD1      LEU 100 -16.091   1.440  -3.029
  766   1HD2  LEU 100          1HD2      LEU 100 -17.486   4.313  -0.986
  767   2HD2  LEU 100          2HD2      LEU 100 -18.687   3.288  -0.163
  768   3HD2  LEU 100          3HD2      LEU 100 -16.966   3.051   0.154
  769    H    LEU 101           H        LEU 101 -21.079   0.632  -3.403
  770    HA   LEU 101           HA       LEU 101 -20.131  -1.577  -1.854
  771   1HB   LEU 101          2HB       LEU 101 -22.832  -0.802  -2.939
  772   2HB   LEU 101          3HB       LEU 101 -22.591  -2.431  -2.346
  773    HG   LEU 101           HG       LEU 101 -23.584  -0.981  -0.666
  774   1HD1  LEU 101          1HD1      LEU 101 -22.220  -1.596   1.221
  775   2HD1  LEU 101          2HD1      LEU 101 -22.137  -2.897   0.028
  776   3HD1  LEU 101          3HD1      LEU 101 -20.774  -1.775   0.215
  777   1HD2  LEU 101          1HD2      LEU 101 -22.520   1.156  -1.327
  778   2HD2  LEU 101          2HD2      LEU 101 -22.423   0.828   0.411
  779   3HD2  LEU 101          3HD2      LEU 101 -20.984   0.602  -0.605
  780    HA   PRO 102           HA       PRO 102 -20.847  -4.282  -5.889
  781   1HB   PRO 102          2HB       PRO 102 -20.176  -1.983  -7.757
  782   2HB   PRO 102          3HB       PRO 102 -21.041  -3.506  -8.127
  783   1HG   PRO 102          2HG       PRO 102 -22.423  -1.222  -7.652
  784   2HG   PRO 102          3HG       PRO 102 -22.985  -2.770  -6.949
  785   1HD   PRO 102          2HD       PRO 102 -21.553  -0.511  -5.592
  786   2HD   PRO 102          3HD       PRO 102 -22.803  -1.617  -4.967
  787    H    LEU 103           H        LEU 103 -18.501  -1.500  -5.947
  788    HA   LEU 103           HA       LEU 103 -16.300  -3.044  -6.883
  789   1HB   LEU 103          2HB       LEU 103 -16.346  -0.638  -7.068
  790   2HB   LEU 103          3HB       LEU 103 -16.515  -0.447  -5.325
  791    HG   LEU 103           HG       LEU 103 -14.254  -1.289  -4.951
  792   1HD1  LEU 103          1HD1      LEU 103 -14.013  -1.433  -7.992
  793   2HD1  LEU 103          2HD1      LEU 103 -12.668  -1.587  -6.839
  794   3HD1  LEU 103          3HD1      LEU 103 -13.937  -2.810  -6.875
  795   1HD2  LEU 103          1HD2      LEU 103 -13.067   0.628  -5.814
  796   2HD2  LEU 103          2HD2      LEU 103 -14.309   0.903  -7.054
  797   3HD2  LEU 103          3HD2      LEU 103 -14.691   1.124  -5.326
  798    H    LEU 104           H        LEU 104 -17.416  -2.290  -3.544
  799    HA   LEU 104           HA       LEU 104 -15.201  -3.548  -2.220
  800   1HB   LEU 104          2HB       LEU 104 -18.063  -2.935  -1.383
  801   2HB   LEU 104          3HB       LEU 104 -16.910  -3.694  -0.303
  802    HG   LEU 104           HG       LEU 104 -16.352  -1.001  -1.611
  803   1HD1  LEU 104          1HD1      LEU 104 -17.620  -1.606   1.095
  804   2HD1  LEU 104          2HD1      LEU 104 -17.045  -0.010   0.558
  805   3HD1  LEU 104          3HD1      LEU 104 -18.393  -0.798  -0.280
  806   1HD2  LEU 104          1HD2      LEU 104 -15.158  -2.343   0.847
  807   2HD2  LEU 104          2HD2      LEU 104 -14.355  -2.159  -0.728
  808   3HD2  LEU 104          3HD2      LEU 104 -14.748  -0.731   0.229
  809    H    GLN 105           H        GLN 105 -18.442  -4.772  -3.204
  810    HA   GLN 105           HA       GLN 105 -18.109  -7.373  -2.097
  811   1HB   GLN 105          2HB       GLN 105 -19.823  -6.339  -4.401
  812   2HB   GLN 105          3HB       GLN 105 -19.927  -7.985  -3.754
  813   1HG   GLN 105          2HG       GLN 105 -20.445  -7.093  -1.508
  814   2HG   GLN 105          3HG       GLN 105 -20.308  -5.452  -2.108
  815   1HE2  GLN 105          2HE2      GLN 105 -22.539  -5.299  -1.151
  816   2HE2  GLN 105          1HE2      GLN 105 -23.890  -5.790  -2.144
  817    H    ASP 106           H        ASP 106 -17.340  -6.048  -5.307
  818    HA   ASP 106           HA       ASP 106 -16.359  -8.418  -6.519
  819   1HB   ASP 106          2HB       ASP 106 -16.837  -6.436  -7.787
  820   2HB   ASP 106          3HB       ASP 106 -15.618  -5.514  -6.911
  821    H    ALA 107           H        ALA 107 -14.649  -5.910  -4.581
  822    HA   ALA 107           HA       ALA 107 -12.133  -7.297  -4.571
  823   1HB   ALA 107          1HB       ALA 107 -12.392  -4.855  -4.304
  824   2HB   ALA 107          2HB       ALA 107 -13.199  -5.104  -2.737
  825   3HB   ALA 107          3HB       ALA 107 -11.496  -5.565  -2.947
  826    H    ALA 108           H        ALA 108 -14.921  -8.313  -3.124
  827    HA   ALA 108           HA       ALA 108 -15.534  -9.602  -1.443
  828   1HB   ALA 108          1HB       ALA 108 -13.832 -11.146  -2.400
  829   2HB   ALA 108          2HB       ALA 108 -12.643 -10.522  -1.235
  830   3HB   ALA 108          3HB       ALA 108 -14.086 -11.380  -0.663
  831    H    ALA 109           H        ALA 109 -14.703  -6.853  -0.854
  832    HA   ALA 109           HA       ALA 109 -13.336  -6.823   1.717
  833   1HB   ALA 109          1HB       ALA 109 -14.750  -4.643   0.128
  834   2HB   ALA 109          2HB       ALA 109 -13.669  -4.396   1.510
  835   3HB   ALA 109          3HB       ALA 109 -13.030  -5.060  -0.014
  836    H    THR 110           H        THR 110 -16.615  -7.376   0.856
  837    HA   THR 110           HA       THR 110 -17.613  -6.348   3.473
  838    HB   THR 110           HB       THR 110 -19.759  -6.010   1.979
  839    HG1  THR 110           1HG      THR 110 -18.876  -6.880   0.092
  840   1HG2  THR 110          1HG2      THR 110 -19.017  -3.703   1.375
  841   2HG2  THR 110          2HG2      THR 110 -18.701  -4.140   3.060
  842   3HG2  THR 110          3HG2      THR 110 -17.365  -4.137   1.888
  843    H    ALA 111           H        ALA 111 -18.128  -8.073   4.678
  844    HA   ALA 111           HA       ALA 111 -18.536 -10.689   3.718
  845   1HB   ALA 111          1HB       ALA 111 -19.269 -11.175   6.021
  846   2HB   ALA 111          2HB       ALA 111 -17.837 -10.132   6.023
  847   3HB   ALA 111          3HB       ALA 111 -19.446  -9.439   6.350
  848    H    LYS 112           H        LYS 112 -20.771  -8.055   3.634
  849    HA   LYS 112           HA       LYS 112 -23.273  -9.402   3.723
  850   1HB   LYS 112          2HB       LYS 112 -22.330  -6.994   2.098
  851   2HB   LYS 112          3HB       LYS 112 -24.015  -7.515   2.214
  852   1HG   LYS 112          2HG       LYS 112 -24.065  -7.124   4.609
  853   2HG   LYS 112          3HG       LYS 112 -22.332  -6.756   4.645
  854   1HD   LYS 112          2HD       LYS 112 -22.666  -4.779   3.241
  855   2HD   LYS 112          3HD       LYS 112 -24.404  -5.137   3.105
  856   1HE   LYS 112          2HE       LYS 112 -24.697  -4.873   5.523
  857   2HE   LYS 112          3HE       LYS 112 -22.955  -4.661   5.750
  858   1HZ   LYS 112          1HZ       LYS 112 -24.155  -2.553   5.735
  859   2HZ   LYS 112          2HZ       LYS 112 -23.060  -2.616   4.520
  860   3HZ   LYS 112          3HZ       LYS 112 -24.670  -2.803   4.208
  861    H    ASN 113           H        ASN 113 -20.828  -9.119   1.160
  862    HA   ASN 113           HA       ASN 113 -21.746 -11.513  -0.123
  863   1HB   ASN 113          2HB       ASN 113 -23.408 -10.166  -1.238
  864   2HB   ASN 113          3HB       ASN 113 -22.227  -8.899  -1.570
  865   1HD2  ASN 113          2HD2      ASN 113 -22.394  -8.974  -3.877
  866   2HD2  ASN 113          1HD2      ASN 113 -21.800 -10.363  -4.783
  867    HA   PRO 114           HA       PRO 114 -17.331 -10.382  -0.705
  868   1HB   PRO 114          2HB       PRO 114 -16.132 -12.637   0.237
  869   2HB   PRO 114          3HB       PRO 114 -16.800 -11.388   1.332
  870   1HG   PRO 114          2HG       PRO 114 -18.127 -13.966   0.420
  871   2HG   PRO 114          3HG       PRO 114 -17.960 -13.343   2.094
  872   1HD   PRO 114          2HD       PRO 114 -20.217 -12.957   0.580
  873   2HD   PRO 114          3HD       PRO 114 -19.646 -11.744   1.764
  874    H    ALA 115           H        ALA 115 -19.523 -12.489  -2.165
  875    HA   ALA 115           HA       ALA 115 -17.574 -14.060  -3.701
  876   1HB   ALA 115          1HB       ALA 115 -19.447 -15.169  -2.499
  877   2HB   ALA 115          2HB       ALA 115 -20.608 -14.273  -3.509
  878   3HB   ALA 115          3HB       ALA 115 -19.501 -15.451  -4.246
  879    H    GLN 116           H        GLN 116 -17.932 -11.170  -4.266
  880    HA   GLN 116           HA       GLN 116 -17.908  -9.780  -6.000
  881   1HB   GLN 116          2HB       GLN 116 -17.837 -12.297  -7.716
  882   2HB   GLN 116          3HB       GLN 116 -17.623 -10.676  -8.325
  883   1HG   GLN 116          2HG       GLN 116 -15.491 -11.852  -8.060
  884   2HG   GLN 116          3HG       GLN 116 -15.565 -10.364  -7.147
  885   1HE2  GLN 116          2HE2      GLN 116 -14.848 -10.477  -5.036
  886   2HE2  GLN 116          1HE2      GLN 116 -15.046 -11.889  -4.003
  887    H    LEU 117           H        LEU 117 -19.134  -9.097  -8.136
  888    HA   LEU 117           HA       LEU 117 -21.972  -9.804  -8.057
  889   1HB   LEU 117          2HB       LEU 117 -21.750  -8.004  -6.338
  890   2HB   LEU 117          3HB       LEU 117 -20.937  -6.981  -7.528
  891    HG   LEU 117           HG       LEU 117 -22.997  -6.961  -8.929
  892   1HD1  LEU 117          1HD1      LEU 117 -24.046  -9.092  -8.306
  893   2HD1  LEU 117          2HD1      LEU 117 -24.218  -8.549  -6.621
  894   3HD1  LEU 117          3HD1      LEU 117 -25.141  -7.768  -7.923
  895   1HD2  LEU 117          1HD2      LEU 117 -23.450  -6.138  -6.033
  896   2HD2  LEU 117          2HD2      LEU 117 -22.593  -5.198  -7.271
  897   3HD2  LEU 117          3HD2      LEU 117 -24.321  -5.516  -7.453
  Start of MODEL   18
    1   1H    MET   1           H1       MET   1  22.641   6.121  -4.885
    2   2H    MET   1           H2       MET   1  21.339   6.135  -5.873
    3   3H    MET   1           H3       MET   1  22.632   7.093  -6.203
    4    HA   MET   1           HA       MET   1  22.257   8.371  -4.199
    5   1HB   MET   1          2HB       MET   1  21.252   9.142  -6.334
    6   2HB   MET   1          3HB       MET   1  19.795   8.204  -5.997
    7   1HG   MET   1          2HG       MET   1  19.518   9.566  -3.872
    8   2HG   MET   1          3HG       MET   1  20.862  10.572  -4.404
    9   1HE   MET   1          1HE       MET   1  20.390  11.007  -7.538
   10   2HE   MET   1          2HE       MET   1  19.387  12.469  -7.480
   11   3HE   MET   1          3HE       MET   1  20.757  12.292  -6.364
   12    H    ALA   2           H        ALA   2  21.924   7.744  -2.094
   13    HA   ALA   2           HA       ALA   2  20.371   5.565  -1.293
   14   1HB   ALA   2          1HB       ALA   2  22.155   6.564   0.079
   15   2HB   ALA   2          2HB       ALA   2  21.165   8.022   0.333
   16   3HB   ALA   2          3HB       ALA   2  20.637   6.459   0.989
   17    H    SER   3           H        SER   3  19.390   9.058  -1.353
   18    HA   SER   3           HA       SER   3  16.893   8.766  -0.191
   19   1HB   SER   3          2HB       SER   3  17.488  10.638  -2.509
   20   2HB   SER   3          3HB       SER   3  16.392  10.902  -1.140
   21    HG   SER   3           HG       SER   3  18.378  12.006  -0.869
   22    H    LYS   4           H        LYS   4  17.793   8.200  -3.597
   23    HA   LYS   4           HA       LYS   4  15.065   7.751  -4.485
   24   1HB   LYS   4          2HB       LYS   4  16.965   8.501  -5.951
   25   2HB   LYS   4          3HB       LYS   4  17.679   6.886  -5.802
   26   1HG   LYS   4          2HG       LYS   4  15.643   5.895  -6.820
   27   2HG   LYS   4          3HG       LYS   4  14.912   7.495  -6.949
   28   1HD   LYS   4          2HD       LYS   4  17.473   6.570  -8.325
   29   2HD   LYS   4          3HD       LYS   4  15.895   6.661  -9.094
   30   1HE   LYS   4          2HE       LYS   4  17.442   9.050  -7.974
   31   2HE   LYS   4          3HE       LYS   4  17.413   8.557  -9.664
   32   1HZ   LYS   4          1HZ       LYS   4  15.835  10.314  -9.272
   33   2HZ   LYS   4          2HZ       LYS   4  15.025   8.971  -9.696
   34   3HZ   LYS   4          3HZ       LYS   4  15.042   9.462  -8.134
   35    H    GLN   5           H        GLN   5  17.783   5.647  -3.398
   36    HA   GLN   5           HA       GLN   5  16.470   3.178  -3.889
   37   1HB   GLN   5          2HB       GLN   5  18.905   3.512  -3.352
   38   2HB   GLN   5          3HB       GLN   5  18.462   3.824  -1.668
   39   1HG   GLN   5          2HG       GLN   5  17.439   1.545  -1.540
   40   2HG   GLN   5          3HG       GLN   5  17.925   1.245  -3.209
   41   1HE2  GLN   5          2HE2      GLN   5  18.906   1.009   0.078
   42   2HE2  GLN   5          1HE2      GLN   5  20.591   0.655  -0.198
   43    H    GLU   6           H        GLU   6  16.388   5.372  -1.009
   44    HA   GLU   6           HA       GLU   6  14.706   3.609   0.530
   45   1HB   GLU   6          2HB       GLU   6  15.362   6.575   0.753
   46   2HB   GLU   6          3HB       GLU   6  14.247   5.739   1.845
   47   1HG   GLU   6          2HG       GLU   6  16.052   4.099   2.405
   48   2HG   GLU   6          3HG       GLU   6  17.183   5.045   1.440
   49    H    LEU   7           H        LEU   7  14.027   6.341  -1.713
   50    HA   LEU   7           HA       LEU   7  11.233   6.423  -1.273
   51   1HB   LEU   7          2HB       LEU   7  12.563   8.131  -2.509
   52   2HB   LEU   7          3HB       LEU   7  12.816   6.975  -3.817
   53    HG   LEU   7           HG       LEU   7  10.348   6.921  -4.237
   54   1HD1  LEU   7          1HD1      LEU   7   9.461   7.538  -2.040
   55   2HD1  LEU   7          2HD1      LEU   7  10.305   9.102  -2.096
   56   3HD1  LEU   7          3HD1      LEU   7   8.971   8.763  -3.221
   57   1HD2  LEU   7          1HD2      LEU   7  11.630   9.686  -4.269
   58   2HD2  LEU   7          2HD2      LEU   7  11.847   8.417  -5.492
   59   3HD2  LEU   7          3HD2      LEU   7  10.253   9.154  -5.264
   60    H    ASP   8           H        ASP   8  13.191   4.443  -3.563
   61    HA   ASP   8           HA       ASP   8  10.964   3.110  -4.777
   62   1HB   ASP   8          2HB       ASP   8  13.169   3.150  -5.817
   63   2HB   ASP   8          3HB       ASP   8  13.872   2.280  -4.452
   64    H    ALA   9           H        ALA   9  13.022   2.247  -1.944
   65    HA   ALA   9           HA       ALA   9  11.740  -0.245  -1.448
   66   1HB   ALA   9          1HB       ALA   9  13.082   1.664   0.525
   67   2HB   ALA   9          2HB       ALA   9  12.716  -0.047   0.814
   68   3HB   ALA   9          3HB       ALA   9  13.903   0.405  -0.425
   69    H    ALA  10           H        ALA  10  11.008   3.082  -0.305
   70    HA   ALA  10           HA       ALA  10   8.778   2.384   1.321
   71   1HB   ALA  10          1HB       ALA  10   9.911   4.539   1.511
   72   2HB   ALA  10          2HB       ALA  10   9.443   4.972  -0.146
   73   3HB   ALA  10          3HB       ALA  10   8.204   4.785   1.108
   74    H    LEU  11           H        LEU  11   9.034   3.079  -2.211
   75    HA   LEU  11           HA       LEU  11   6.233   2.973  -2.750
   76   1HB   LEU  11          2HB       LEU  11   8.337   3.617  -4.241
   77   2HB   LEU  11          3HB       LEU  11   8.293   1.919  -4.697
   78    HG   LEU  11           HG       LEU  11   6.125   4.021  -5.069
   79   1HD1  LEU  11          1HD1      LEU  11   8.097   4.089  -6.594
   80   2HD1  LEU  11          2HD1      LEU  11   7.756   2.423  -7.092
   81   3HD1  LEU  11          3HD1      LEU  11   6.591   3.719  -7.448
   82   1HD2  LEU  11          1HD2      LEU  11   4.937   2.272  -6.454
   83   2HD2  LEU  11          2HD2      LEU  11   6.002   1.049  -5.717
   84   3HD2  LEU  11          3HD2      LEU  11   4.875   2.006  -4.718
   85    H    LYS  12           H        LYS  12   8.731   0.340  -2.787
   86    HA   LYS  12           HA       LYS  12   6.888  -1.711  -3.375
   87   1HB   LYS  12          2HB       LYS  12   9.400  -1.833  -3.436
   88   2HB   LYS  12          3HB       LYS  12   9.413  -1.899  -1.667
   89   1HG   LYS  12          2HG       LYS  12   8.145  -4.030  -1.725
   90   2HG   LYS  12          3HG       LYS  12   8.000  -3.902  -3.485
   91   1HD   LYS  12          2HD       LYS  12   9.759  -5.453  -3.034
   92   2HD   LYS  12          3HD       LYS  12  10.499  -3.968  -3.662
   93   1HE   LYS  12          2HE       LYS  12  11.084  -3.281  -1.343
   94   2HE   LYS  12          3HE       LYS  12  10.302  -4.734  -0.709
   95   1HZ   LYS  12          1HZ       LYS  12  12.676  -4.720  -2.485
   96   2HZ   LYS  12          2HZ       LYS  12  12.691  -5.019  -0.884
   97   3HZ   LYS  12          3HZ       LYS  12  11.952  -6.061  -1.893
   98    H    LYS  13           H        LYS  13   7.887  -0.392  -0.169
   99    HA   LYS  13           HA       LYS  13   6.233  -2.135   1.351
  100   1HB   LYS  13          2HB       LYS  13   8.047  -0.724   2.309
  101   2HB   LYS  13          3HB       LYS  13   7.111   0.722   1.964
  102   1HG   LYS  13          2HG       LYS  13   6.954   0.116   4.325
  103   2HG   LYS  13          3HG       LYS  13   5.380   0.068   3.552
  104   1HD   LYS  13          2HD       LYS  13   5.628  -1.774   5.113
  105   2HD   LYS  13          3HD       LYS  13   5.442  -2.396   3.474
  106   1HE   LYS  13          2HE       LYS  13   7.908  -2.732   3.324
  107   2HE   LYS  13          3HE       LYS  13   8.098  -2.074   4.955
  108   1HZ   LYS  13          1HZ       LYS  13   6.788  -3.940   5.784
  109   2HZ   LYS  13          2HZ       LYS  13   6.588  -4.540   4.266
  110   3HZ   LYS  13          3HZ       LYS  13   8.075  -4.492   4.950
  111    H    ALA  14           H        ALA  14   5.460   1.064  -0.180
  112    HA   ALA  14           HA       ALA  14   2.831   1.208   0.854
  113   1HB   ALA  14          1HB       ALA  14   2.387   2.820  -0.888
  114   2HB   ALA  14          2HB       ALA  14   4.015   3.106  -0.249
  115   3HB   ALA  14          3HB       ALA  14   3.805   2.297  -1.819
  116    H    LYS  15           H        LYS  15   4.041  -0.345  -2.193
  117    HA   LYS  15           HA       LYS  15   1.480  -1.221  -3.099
  118   1HB   LYS  15          2HB       LYS  15   4.300  -2.294  -3.516
  119   2HB   LYS  15          3HB       LYS  15   2.879  -3.083  -4.214
  120   1HG   LYS  15          2HG       LYS  15   2.253  -1.089  -5.424
  121   2HG   LYS  15          3HG       LYS  15   3.584  -0.160  -4.700
  122   1HD   LYS  15          2HD       LYS  15   5.234  -1.574  -5.820
  123   2HD   LYS  15          3HD       LYS  15   3.953  -2.648  -6.430
  124   1HE   LYS  15          2HE       LYS  15   2.977  -0.778  -7.722
  125   2HE   LYS  15          3HE       LYS  15   4.225   0.314  -7.118
  126   1HZ   LYS  15          1HZ       LYS  15   4.768  -0.520  -9.321
  127   2HZ   LYS  15          2HZ       LYS  15   5.880  -1.068  -8.264
  128   3HZ   LYS  15          3HZ       LYS  15   4.713  -2.066  -8.821
  129    H    GLU  16           H        GLU  16   3.845  -2.831  -0.910
  130    HA   GLU  16           HA       GLU  16   2.331  -5.204  -0.560
  131   1HB   GLU  16          2HB       GLU  16   4.700  -4.955   0.055
  132   2HB   GLU  16          3HB       GLU  16   4.276  -3.817   1.339
  133   1HG   GLU  16          2HG       GLU  16   3.019  -5.569   2.525
  134   2HG   GLU  16          3HG       GLU  16   3.304  -6.702   1.197
  135    H    LEU  17           H        LEU  17   2.388  -2.170   1.396
  136    HA   LEU  17           HA       LEU  17   0.412  -2.917   3.276
  137   1HB   LEU  17          2HB       LEU  17   1.239  -0.216   2.148
  138   2HB   LEU  17          3HB       LEU  17   0.034  -0.371   3.419
  139    HG   LEU  17           HG       LEU  17   2.870  -1.446   3.688
  140   1HD1  LEU  17          1HD1      LEU  17   1.731   1.190   4.686
  141   2HD1  LEU  17          2HD1      LEU  17   3.345   0.550   5.042
  142   3HD1  LEU  17          3HD1      LEU  17   2.924   0.996   3.383
  143   1HD2  LEU  17          1HD2      LEU  17   0.702  -0.906   5.761
  144   2HD2  LEU  17          2HD2      LEU  17   1.283  -2.508   5.239
  145   3HD2  LEU  17          3HD2      LEU  17   2.364  -1.422   6.110
  146    H    ALA  18           H        ALA  18   0.059  -1.246   0.128
  147    HA   ALA  18           HA       ALA  18  -2.727  -0.879   0.143
  148   1HB   ALA  18          1HB       ALA  18  -0.838  -1.284  -2.214
  149   2HB   ALA  18          2HB       ALA  18  -2.463  -0.582  -2.283
  150   3HB   ALA  18          3HB       ALA  18  -1.177   0.264  -1.406
  151    H    SER  19           H        SER  19  -0.976  -3.846  -0.145
  152    HA   SER  19           HA       SER  19  -3.308  -5.239  -1.374
  153   1HB   SER  19          2HB       SER  19  -0.399  -6.116  -1.295
  154   2HB   SER  19          3HB       SER  19  -1.721  -6.820  -2.244
  155    HG   SER  19           HG       SER  19  -0.372  -4.352  -2.553
  156    H    SER  20           H        SER  20  -1.949  -4.656   1.635
  157    HA   SER  20           HA       SER  20  -1.863  -7.358   2.680
  158   1HB   SER  20          2HB       SER  20  -1.837  -4.616   4.000
  159   2HB   SER  20          3HB       SER  20  -1.565  -6.146   4.852
  160    HG   SER  20           HG       SER  20  -0.016  -5.302   2.606
  161    H    ALA  21           H        ALA  21  -4.505  -5.237   2.012
  162    HA   ALA  21           HA       ALA  21  -6.367  -7.028   3.381
  163   1HB   ALA  21          1HB       ALA  21  -5.937  -5.305   5.105
  164   2HB   ALA  21          2HB       ALA  21  -6.252  -4.019   3.913
  165   3HB   ALA  21          3HB       ALA  21  -7.563  -5.075   4.444
  166    HA   PRO  22           HA       PRO  22  -8.529  -6.143  -0.349
  167   1HB   PRO  22          2HB       PRO  22 -11.205  -6.117   0.297
  168   2HB   PRO  22          3HB       PRO  22 -10.194  -7.590   0.259
  169   1HG   PRO  22          2HG       PRO  22 -10.876  -5.876   2.670
  170   2HG   PRO  22          3HG       PRO  22 -11.013  -7.659   2.507
  171   1HD   PRO  22          2HD       PRO  22  -8.872  -6.554   3.688
  172   2HD   PRO  22          3HD       PRO  22  -8.649  -7.924   2.568
  173    H    VAL  23           H        VAL  23  -8.898  -3.816   2.268
  174    HA   VAL  23           HA       VAL  23  -9.169  -1.672   0.274
  175    HB   VAL  23           HB       VAL  23 -10.826  -1.856   2.825
  176   1HG1  VAL  23          1HG1      VAL  23 -10.169   0.468   2.473
  177   2HG1  VAL  23          2HG1      VAL  23 -10.624   0.383   0.763
  178   3HG1  VAL  23          3HG1      VAL  23 -11.864   0.286   2.025
  179   1HG2  VAL  23          1HG2      VAL  23 -11.801  -3.216   1.029
  180   2HG2  VAL  23          2HG2      VAL  23 -12.806  -1.834   1.457
  181   3HG2  VAL  23          3HG2      VAL  23 -11.834  -1.796  -0.031
  182    H    VAL  24           H        VAL  24  -7.811   0.060   0.877
  183    HA   VAL  24           HA       VAL  24  -6.524  -0.044   3.543
  184    HB   VAL  24           HB       VAL  24  -4.954   0.144   0.939
  185   1HG1  VAL  24          1HG1      VAL  24  -4.062  -0.167   3.846
  186   2HG1  VAL  24          2HG1      VAL  24  -2.992  -0.162   2.431
  187   3HG1  VAL  24          3HG1      VAL  24  -3.888   1.295   2.848
  188   1HG2  VAL  24          1HG2      VAL  24  -4.075  -2.120   1.516
  189   2HG2  VAL  24          2HG2      VAL  24  -5.274  -2.245   2.803
  190   3HG2  VAL  24          3HG2      VAL  24  -5.770  -2.154   1.096
  191    H    VAL  25           H        VAL  25  -6.319   1.950   4.372
  192    HA   VAL  25           HA       VAL  25  -6.885   4.325   2.666
  193    HB   VAL  25           HB       VAL  25  -7.677   3.744   5.555
  194   1HG1  VAL  25          1HG1      VAL  25  -8.370   6.074   3.709
  195   2HG1  VAL  25          2HG1      VAL  25  -9.076   5.787   5.320
  196   3HG1  VAL  25          3HG1      VAL  25  -7.354   6.136   5.159
  197   1HG2  VAL  25          1HG2      VAL  25  -9.995   3.629   4.716
  198   2HG2  VAL  25          2HG2      VAL  25  -9.405   3.768   3.047
  199   3HG2  VAL  25          3HG2      VAL  25  -9.001   2.343   4.034
  200    H    PHE  26           H        PHE  26  -4.788   4.996   2.294
  201    HA   PHE  26           HA       PHE  26  -2.844   5.316   4.484
  202   1HB   PHE  26          2HB       PHE  26  -2.925   6.378   1.635
  203   2HB   PHE  26          3HB       PHE  26  -1.583   6.578   2.751
  204    HD1  PHE  26           1HD      PHE  26  -3.370   4.214   0.545
  205    HD2  PHE  26           2HD      PHE  26  -0.098   4.674   3.317
  206    HE1  PHE  26           1HE      PHE  26  -2.428   2.045  -0.201
  207    HE2  PHE  26           2HE      PHE  26   0.832   2.490   2.572
  208    HZ   PHE  26           HZ       PHE  26  -0.331   1.184   0.809
  209    H    SER  27           H        SER  27  -2.967   7.078   5.878
  210    HA   SER  27           HA       SER  27  -4.501   9.467   5.104
  211   1HB   SER  27          2HB       SER  27  -6.111   9.060   6.991
  212   2HB   SER  27          3HB       SER  27  -6.276   7.949   5.642
  213    HG   SER  27           HG       SER  27  -5.181   6.382   6.837
  214    H    LYS  28           H        LYS  28  -4.936  10.658   7.445
  215    HA   LYS  28           HA       LYS  28  -2.452  10.518   9.072
  216   1HB   LYS  28          2HB       LYS  28  -3.980  12.940   8.061
  217   2HB   LYS  28          3HB       LYS  28  -3.052  12.997   9.566
  218   1HG   LYS  28          2HG       LYS  28  -1.003  12.316   8.365
  219   2HG   LYS  28          3HG       LYS  28  -1.897  12.236   6.848
  220   1HD   LYS  28          2HD       LYS  28  -0.528  14.303   7.104
  221   2HD   LYS  28          3HD       LYS  28  -2.241  14.623   6.819
  222   1HE   LYS  28          2HE       LYS  28  -2.617  15.043   9.191
  223   2HE   LYS  28          3HE       LYS  28  -0.915  14.693   9.556
  224   1HZ   LYS  28          1HZ       LYS  28  -1.430  17.072   9.375
  225   2HZ   LYS  28          2HZ       LYS  28  -0.308  16.636   8.258
  226   3HZ   LYS  28          3HZ       LYS  28  -1.867  16.895   7.818
  227    H    THR  29           H        THR  29  -3.006  11.487  11.328
  228    HA   THR  29           HA       THR  29  -4.895   9.630  12.374
  229    HB   THR  29           HB       THR  29  -4.004  10.820  14.540
  230    HG1  THR  29           1HG      THR  29  -2.173  12.057  14.182
  231   1HG2  THR  29          1HG2      THR  29  -1.974   9.542  12.652
  232   2HG2  THR  29          2HG2      THR  29  -1.902   9.625  14.426
  233   3HG2  THR  29          3HG2      THR  29  -3.149   8.644  13.647
  234    H    TYR  30           H        TYR  30  -5.206  13.091  11.663
  235    HA   TYR  30           HA       TYR  30  -7.662  13.142  13.368
  236   1HB   TYR  30          2HB       TYR  30  -7.026  15.340  14.125
  237   2HB   TYR  30          3HB       TYR  30  -5.750  14.192  14.483
  238    HD1  TYR  30           1HD      TYR  30  -3.565  14.317  13.327
  239    HD2  TYR  30           2HD      TYR  30  -6.727  17.103  12.404
  240    HE1  TYR  30           1HE      TYR  30  -1.964  15.697  12.044
  241    HE2  TYR  30           2HE      TYR  30  -5.148  18.472  11.091
  242    HH   TYR  30           HH       TYR  30  -2.932  18.771  10.437
  243    H    CYS  31           H        CYS  31  -6.278  14.189  10.241
  244    HA   CYS  31           HA       CYS  31  -7.846  16.337   9.723
  245   1HB   CYS  31          2HB       CYS  31  -7.027  14.232   7.691
  246   2HB   CYS  31          3HB       CYS  31  -7.305  15.960   7.403
  247    H    GLY  32           H        GLY  32  -9.841  16.788   8.932
  248   1HA   GLY  32          1HA       GLY  32 -11.979  15.194   9.674
  249   2HA   GLY  32          2HA       GLY  32 -12.078  16.551   8.536
  250    H    TYR  33           H        TYR  33 -10.595  15.553   6.353
  251    HA   TYR  33           HA       TYR  33 -12.499  13.849   5.090
  252   1HB   TYR  33          2HB       TYR  33  -9.637  14.551   4.321
  253   2HB   TYR  33          3HB       TYR  33 -10.775  13.707   3.288
  254    HD1  TYR  33           1HD      TYR  33  -9.530  16.927   4.189
  255    HD2  TYR  33           2HD      TYR  33 -13.091  14.890   2.836
  256    HE1  TYR  33           1HE      TYR  33 -10.436  19.071   3.349
  257    HE2  TYR  33           2HE      TYR  33 -13.995  17.024   1.982
  258    HH   TYR  33           HH       TYR  33 -13.636  19.315   1.723
  259    H    CYS  34           H        CYS  34  -9.464  13.107   6.819
  260    HA   CYS  34           HA       CYS  34  -9.279  10.367   5.864
  261   1HB   CYS  34          2HB       CYS  34  -8.095  11.789   8.304
  262   2HB   CYS  34          3HB       CYS  34  -7.757  10.119   7.859
  263    HG   CYS  34           HG       CYS  34  -7.359  12.820   5.958
  264    H    ASN  35           H        ASN  35 -10.595  11.956   8.821
  265    HA   ASN  35           HA       ASN  35 -11.706   9.585   9.964
  266   1HB   ASN  35          2HB       ASN  35 -11.567  11.630  11.275
  267   2HB   ASN  35          3HB       ASN  35 -12.632  12.476  10.148
  268   1HD2  ASN  35          2HD2      ASN  35 -14.704  12.675  10.985
  269   2HD2  ASN  35          1HD2      ASN  35 -15.501  11.470  11.956
  270    H    ARG  36           H        ARG  36 -13.139  11.945   7.627
  271    HA   ARG  36           HA       ARG  36 -15.674  10.801   7.453
  272   1HB   ARG  36          2HB       ARG  36 -14.898  12.964   6.426
  273   2HB   ARG  36          3HB       ARG  36 -14.114  12.038   5.139
  274   1HG   ARG  36          2HG       ARG  36 -16.347  11.061   4.532
  275   2HG   ARG  36          3HG       ARG  36 -17.101  12.074   5.770
  276   1HD   ARG  36          2HD       ARG  36 -15.537  13.057   3.340
  277   2HD   ARG  36          3HD       ARG  36 -17.302  13.033   3.500
  278    HE   ARG  36           HE       ARG  36 -16.232  14.489   5.683
  279   1HH1  ARG  36          1HH2      ARG  36 -16.666  14.837   2.174
  280   2HH1  ARG  36          2HH2      ARG  36 -16.732  16.558   2.211
  281   1HH2  ARG  36          1HH1      ARG  36 -16.268  16.788   5.726
  282   2HH2  ARG  36          2HH1      ARG  36 -16.475  17.688   4.275
  283    H    VAL  37           H        VAL  37 -12.769   9.906   5.456
  284    HA   VAL  37           HA       VAL  37 -14.148   7.822   4.061
  285    HB   VAL  37           HB       VAL  37 -11.208   8.362   4.623
  286   1HG1  VAL  37          1HG1      VAL  37 -12.353   6.219   2.777
  287   2HG1  VAL  37          2HG1      VAL  37 -10.651   6.735   2.877
  288   3HG1  VAL  37          3HG1      VAL  37 -11.397   5.928   4.247
  289   1HG2  VAL  37          1HG2      VAL  37 -11.318   8.888   2.136
  290   2HG2  VAL  37          2HG2      VAL  37 -13.077   8.702   2.232
  291   3HG2  VAL  37          3HG2      VAL  37 -12.279   9.981   3.154
  292    H    LYS  38           H        LYS  38 -12.145   7.690   7.070
  293    HA   LYS  38           HA       LYS  38 -12.411   4.900   7.472
  294   1HB   LYS  38          2HB       LYS  38 -12.167   7.178   9.482
  295   2HB   LYS  38          3HB       LYS  38 -12.035   5.470   9.916
  296   1HG   LYS  38          2HG       LYS  38 -10.067   5.150   8.617
  297   2HG   LYS  38          3HG       LYS  38 -10.301   6.633   7.711
  298   1HD   LYS  38          2HD       LYS  38  -9.867   7.943   9.845
  299   2HD   LYS  38          3HD       LYS  38  -9.387   6.399  10.600
  300   1HE   LYS  38          2HE       LYS  38  -7.754   6.044   8.743
  301   2HE   LYS  38          3HE       LYS  38  -8.232   7.564   8.014
  302   1HZ   LYS  38          1HZ       LYS  38  -7.280   8.721   9.950
  303   2HZ   LYS  38          2HZ       LYS  38  -6.847   7.305  10.651
  304   3HZ   LYS  38          3HZ       LYS  38  -6.190   7.751   9.227
  305    H    GLN  39           H        GLN  39 -14.682   7.518   8.548
  306    HA   GLN  39           HA       GLN  39 -16.571   5.664   9.658
  307   1HB   GLN  39          2HB       GLN  39 -17.083   8.438   8.509
  308   2HB   GLN  39          3HB       GLN  39 -18.196   7.504   9.505
  309   1HG   GLN  39          2HG       GLN  39 -15.623   8.841  10.340
  310   2HG   GLN  39          3HG       GLN  39 -17.239   9.158  10.911
  311   1HE2  GLN  39          2HE2      GLN  39 -14.595   8.336  12.257
  312   2HE2  GLN  39          1HE2      GLN  39 -15.044   6.974  13.269
  313    H    LEU  40           H        LEU  40 -16.124   6.905   6.311
  314    HA   LEU  40           HA       LEU  40 -18.582   6.012   5.261
  315   1HB   LEU  40          2HB       LEU  40 -16.756   7.500   4.180
  316   2HB   LEU  40          3HB       LEU  40 -15.944   6.002   3.751
  317    HG   LEU  40           HG       LEU  40 -18.092   5.346   2.479
  318   1HD1  LEU  40          1HD1      LEU  40 -19.711   6.875   3.482
  319   2HD1  LEU  40          2HD1      LEU  40 -18.722   8.283   3.033
  320   3HD1  LEU  40          3HD1      LEU  40 -19.501   7.305   1.781
  321   1HD2  LEU  40          1HD2      LEU  40 -16.569   7.827   1.608
  322   2HD2  LEU  40          2HD2      LEU  40 -16.054   6.142   1.379
  323   3HD2  LEU  40          3HD2      LEU  40 -17.504   6.731   0.562
  324    H    LEU  41           H        LEU  41 -15.382   4.307   5.363
  325    HA   LEU  41           HA       LEU  41 -16.421   1.850   4.290
  326   1HB   LEU  41          2HB       LEU  41 -13.918   2.425   5.889
  327   2HB   LEU  41          3HB       LEU  41 -14.419   0.815   5.412
  328    HG   LEU  41           HG       LEU  41 -12.912   1.297   3.851
  329   1HD1  LEU  41          1HD1      LEU  41 -14.948   0.456   2.776
  330   2HD1  LEU  41          2HD1      LEU  41 -15.418   2.129   2.369
  331   3HD1  LEU  41          3HD1      LEU  41 -13.945   1.422   1.690
  332   1HD2  LEU  41          1HD2      LEU  41 -12.600   3.685   4.322
  333   2HD2  LEU  41          2HD2      LEU  41 -12.610   3.346   2.587
  334   3HD2  LEU  41          3HD2      LEU  41 -14.045   4.068   3.357
  335    H    THR  42           H        THR  42 -16.052   3.040   7.657
  336    HA   THR  42           HA       THR  42 -16.764   0.613   8.931
  337    HB   THR  42           HB       THR  42 -17.305   3.481   9.815
  338    HG1  THR  42           1HG      THR  42 -15.167   3.256   9.469
  339   1HG2  THR  42          1HG2      THR  42 -18.550   1.910  11.220
  340   2HG2  THR  42          2HG2      THR  42 -17.096   0.909  11.439
  341   3HG2  THR  42          3HG2      THR  42 -17.165   2.556  12.114
  342    H    GLN  43           H        GLN  43 -18.868   3.287   7.716
  343    HA   GLN  43           HA       GLN  43 -21.258   2.189   8.798
  344   1HB   GLN  43          2HB       GLN  43 -20.693   4.203   6.596
  345   2HB   GLN  43          3HB       GLN  43 -22.343   3.746   7.024
  346   1HG   GLN  43          2HG       GLN  43 -22.130   4.538   9.272
  347   2HG   GLN  43          3HG       GLN  43 -20.387   4.746   9.128
  348   1HE2  GLN  43          2HE2      GLN  43 -19.609   6.333   7.497
  349   2HE2  GLN  43          1HE2      GLN  43 -20.552   7.796   7.219
  350    H    VAL  44           H        VAL  44 -19.732   1.727   5.555
  351    HA   VAL  44           HA       VAL  44 -21.955   0.106   4.624
  352    HB   VAL  44           HB       VAL  44 -20.507  -0.438   2.714
  353   1HG1  VAL  44          1HG1      VAL  44 -20.478   2.535   3.404
  354   2HG1  VAL  44          2HG1      VAL  44 -20.366   1.814   1.790
  355   3HG1  VAL  44          3HG1      VAL  44 -21.857   1.635   2.735
  356   1HG2  VAL  44          1HG2      VAL  44 -18.288  -0.502   3.776
  357   2HG2  VAL  44          2HG2      VAL  44 -18.304   0.676   2.452
  358   3HG2  VAL  44          3HG2      VAL  44 -18.401   1.230   4.115
  359    H    GLY  45           H        GLY  45 -19.570  -0.553   6.950
  360   1HA   GLY  45          1HA       GLY  45 -19.129  -2.459   8.102
  361   2HA   GLY  45          2HA       GLY  45 -20.339  -3.319   7.131
  362    H    ALA  46           H        ALA  46 -17.513  -1.590   5.763
  363    HA   ALA  46           HA       ALA  46 -16.602  -4.066   4.445
  364   1HB   ALA  46          1HB       ALA  46 -16.578  -1.950   3.161
  365   2HB   ALA  46          2HB       ALA  46 -15.563  -1.193   4.414
  366   3HB   ALA  46          3HB       ALA  46 -14.923  -2.525   3.433
  367    H    SER  47           H        SER  47 -14.679  -5.069   4.945
  368    HA   SER  47           HA       SER  47 -13.267  -4.383   7.451
  369   1HB   SER  47          2HB       SER  47 -12.788  -6.550   5.346
  370   2HB   SER  47          3HB       SER  47 -11.953  -6.405   6.905
  371    HG   SER  47           HG       SER  47 -13.703  -7.898   6.968
  372    H    TYR  48           H        TYR  48 -11.575  -2.907   7.348
  373    HA   TYR  48           HA       TYR  48 -10.048  -2.633   4.838
  374   1HB   TYR  48          2HB       TYR  48 -10.246  -0.244   4.823
  375   2HB   TYR  48          3HB       TYR  48 -11.852  -0.939   4.754
  376    HD1  TYR  48           1HD      TYR  48  -9.641   1.317   6.542
  377    HD2  TYR  48           2HD      TYR  48 -13.317  -0.911   6.836
  378    HE1  TYR  48           1HE      TYR  48 -10.383   2.765   8.417
  379    HE2  TYR  48           2HE      TYR  48 -14.078   0.546   8.681
  380    HH   TYR  48           HH       TYR  48 -13.532   2.345  10.061
  381    H    LYS  49           H        LYS  49  -8.082  -1.446   5.123
  382    HA   LYS  49           HA       LYS  49  -6.892  -1.634   7.864
  383   1HB   LYS  49          2HB       LYS  49  -5.959  -3.258   6.297
  384   2HB   LYS  49          3HB       LYS  49  -5.684  -1.997   5.084
  385   1HG   LYS  49          2HG       LYS  49  -3.964  -0.969   6.515
  386   2HG   LYS  49          3HG       LYS  49  -4.289  -2.172   7.784
  387   1HD   LYS  49          2HD       LYS  49  -3.553  -3.976   6.221
  388   2HD   LYS  49          3HD       LYS  49  -3.307  -2.769   4.954
  389   1HE   LYS  49          2HE       LYS  49  -1.155  -3.277   5.880
  390   2HE   LYS  49          3HE       LYS  49  -1.586  -1.637   6.365
  391   1HZ   LYS  49          1HZ       LYS  49  -1.827  -4.043   8.096
  392   2HZ   LYS  49          2HZ       LYS  49  -0.647  -2.927   8.197
  393   3HZ   LYS  49          3HZ       LYS  49  -2.178  -2.511   8.557
  394    H    VAL  50           H        VAL  50  -5.334   0.073   8.329
  395    HA   VAL  50           HA       VAL  50  -5.712   2.554   6.745
  396    HB   VAL  50           HB       VAL  50  -5.749   2.345   9.786
  397   1HG1  VAL  50          1HG1      VAL  50  -6.393   4.676   7.922
  398   2HG1  VAL  50          2HG1      VAL  50  -6.413   4.701   9.709
  399   3HG1  VAL  50          3HG1      VAL  50  -4.892   4.511   8.842
  400   1HG2  VAL  50          1HG2      VAL  50  -8.071   2.798   7.866
  401   2HG2  VAL  50          2HG2      VAL  50  -7.875   1.430   8.987
  402   3HG2  VAL  50          3HG2      VAL  50  -8.146   3.047   9.627
  403    H    VAL  51           H        VAL  51  -3.857   3.819   6.669
  404    HA   VAL  51           HA       VAL  51  -1.433   2.904   8.129
  405    HB   VAL  51           HB       VAL  51  -1.529   3.757   5.204
  406   1HG1  VAL  51          1HG1      VAL  51   0.876   3.281   5.199
  407   2HG1  VAL  51          2HG1      VAL  51   0.517   4.504   6.414
  408   3HG1  VAL  51          3HG1      VAL  51   0.818   2.825   6.918
  409   1HG2  VAL  51          1HG2      VAL  51  -0.941   1.021   6.403
  410   2HG2  VAL  51          2HG2      VAL  51  -2.340   1.456   5.394
  411   3HG2  VAL  51          3HG2      VAL  51  -0.725   1.479   4.696
  412    H    GLU  52           H        GLU  52  -1.823   4.480   9.671
  413    HA   GLU  52           HA       GLU  52  -2.478   7.223   8.899
  414   1HB   GLU  52          2HB       GLU  52  -1.828   6.072  11.648
  415   2HB   GLU  52          3HB       GLU  52  -2.460   7.693  11.275
  416   1HG   GLU  52          2HG       GLU  52  -4.402   6.517  10.095
  417   2HG   GLU  52          3HG       GLU  52  -3.841   5.017  10.846
  418    H    LEU  53           H        LEU  53  -0.828   7.806   7.604
  419    HA   LEU  53           HA       LEU  53   1.835   7.107   7.683
  420   1HB   LEU  53          2HB       LEU  53   0.487   9.626   6.635
  421   2HB   LEU  53          3HB       LEU  53   2.164   9.227   6.283
  422    HG   LEU  53           HG       LEU  53  -0.114   7.327   5.580
  423   1HD1  LEU  53          1HD1      LEU  53   1.095   9.530   3.867
  424   2HD1  LEU  53          2HD1      LEU  53   0.029   8.242   3.275
  425   3HD1  LEU  53          3HD1      LEU  53  -0.576   9.419   4.451
  426   1HD2  LEU  53          1HD2      LEU  53   2.159   6.326   5.594
  427   2HD2  LEU  53          2HD2      LEU  53   1.512   6.440   3.953
  428   3HD2  LEU  53          3HD2      LEU  53   2.726   7.613   4.505
  429    H    ASP  54           H        ASP  54   0.338   9.888   9.380
  430    HA   ASP  54           HA       ASP  54   2.760  11.186  10.060
  431   1HB   ASP  54          2HB       ASP  54   0.508  12.215  10.203
  432   2HB   ASP  54          3HB       ASP  54   0.109  11.164  11.566
  433    H    GLU  55           H        GLU  55   1.388   8.266  11.403
  434    HA   GLU  55           HA       GLU  55   3.235   8.386  13.755
  435   1HB   GLU  55          2HB       GLU  55   0.557   7.027  13.282
  436   2HB   GLU  55          3HB       GLU  55   1.626   6.527  14.586
  437   1HG   GLU  55          2HG       GLU  55   0.610   9.380  14.271
  438   2HG   GLU  55          3HG       GLU  55  -0.182   8.141  15.239
  439    H    LEU  56           H        LEU  56   2.970   7.055  10.661
  440    HA   LEU  56           HA       LEU  56   3.872   4.363  11.212
  441   1HB   LEU  56          2HB       LEU  56   2.681   5.024   9.125
  442   2HB   LEU  56          3HB       LEU  56   4.036   6.066   8.696
  443    HG   LEU  56           HG       LEU  56   5.529   4.040   8.602
  444   1HD1  LEU  56          1HD1      LEU  56   2.912   2.505   8.953
  445   2HD1  LEU  56          2HD1      LEU  56   4.466   1.799   8.462
  446   3HD1  LEU  56          3HD1      LEU  56   4.289   2.486  10.076
  447   1HD2  LEU  56          1HD2      LEU  56   4.651   3.199   6.485
  448   2HD2  LEU  56          2HD2      LEU  56   3.079   3.959   6.815
  449   3HD2  LEU  56          3HD2      LEU  56   4.526   4.963   6.582
  450    H    SER  57           H        SER  57   5.978   3.574  11.281
  451    HA   SER  57           HA       SER  57   7.992   5.113  12.295
  452   1HB   SER  57          2HB       SER  57   8.395   2.523  10.764
  453   2HB   SER  57          3HB       SER  57   9.299   3.112  12.172
  454    HG   SER  57           HG       SER  57   7.750   1.523  12.743
  455    H    ASP  58           H        ASP  58   7.271   4.772   8.872
  456    HA   ASP  58           HA       ASP  58   9.700   6.358   8.205
  457   1HB   ASP  58          2HB       ASP  58   9.972   3.915   7.655
  458   2HB   ASP  58          3HB       ASP  58   8.584   4.047   6.573
  459    H    GLY  59           H        GLY  59   6.941   7.067   8.828
  460   1HA   GLY  59          1HA       GLY  59   5.011   7.256   6.986
  461   2HA   GLY  59          2HA       GLY  59   5.374   8.533   8.158
  462    H    SER  60           H        SER  60   7.435   9.938   7.325
  463    HA   SER  60           HA       SER  60   6.445  11.472   5.254
  464   1HB   SER  60          2HB       SER  60   9.379  11.290   6.029
  465   2HB   SER  60          3HB       SER  60   8.505  12.701   5.404
  466    HG   SER  60           HG       SER  60   8.783  12.775   7.685
  467    H    GLN  61           H        GLN  61   8.852   8.807   4.986
  468    HA   GLN  61           HA       GLN  61   9.367   9.440   2.168
  469   1HB   GLN  61          2HB       GLN  61  10.166   6.989   3.776
  470   2HB   GLN  61          3HB       GLN  61  10.721   7.416   2.152
  471   1HG   GLN  61          2HG       GLN  61  11.564   9.626   3.180
  472   2HG   GLN  61          3HG       GLN  61  11.301   8.878   4.759
  473   1HE2  GLN  61          2HE2      GLN  61  12.418   6.612   5.024
  474   2HE2  GLN  61          1HE2      GLN  61  14.065   6.520   4.360
  475    H    LEU  62           H        LEU  62   7.303   7.201   4.039
  476    HA   LEU  62           HA       LEU  62   6.348   5.702   1.806
  477   1HB   LEU  62          2HB       LEU  62   6.126   5.446   4.470
  478   2HB   LEU  62          3HB       LEU  62   4.632   6.311   4.216
  479    HG   LEU  62           HG       LEU  62   4.208   3.961   4.308
  480   1HD1  LEU  62          1HD1      LEU  62   2.864   5.184   2.627
  481   2HD1  LEU  62          2HD1      LEU  62   4.022   4.697   1.374
  482   3HD1  LEU  62          3HD1      LEU  62   3.073   3.473   2.233
  483   1HD2  LEU  62          1HD2      LEU  62   6.454   3.136   3.746
  484   2HD2  LEU  62          2HD2      LEU  62   5.192   2.307   2.818
  485   3HD2  LEU  62          3HD2      LEU  62   6.185   3.545   2.039
  486    H    GLN  63           H        GLN  63   5.109   8.686   3.384
  487    HA   GLN  63           HA       GLN  63   2.937   9.158   1.629
  488   1HB   GLN  63          2HB       GLN  63   3.299  10.231   3.816
  489   2HB   GLN  63          3HB       GLN  63   4.690  11.104   3.212
  490   1HG   GLN  63          2HG       GLN  63   1.915  11.400   1.978
  491   2HG   GLN  63          3HG       GLN  63   2.397  12.316   3.397
  492   1HE2  GLN  63          2HE2      GLN  63   1.615  13.501   0.881
  493   2HE2  GLN  63          1HE2      GLN  63   3.011  14.392   0.303
  494    H    SER  64           H        SER  64   6.393  10.174   1.427
  495    HA   SER  64           HA       SER  64   6.160  11.616  -1.004
  496   1HB   SER  64          2HB       SER  64   8.555  10.035   0.029
  497   2HB   SER  64          3HB       SER  64   8.581  11.305  -1.199
  498    HG   SER  64           HG       SER  64   7.873  11.567   1.554
  499    H    ALA  65           H        ALA  65   6.667   8.088  -0.416
  500    HA   ALA  65           HA       ALA  65   7.035   7.399  -3.146
  501   1HB   ALA  65          1HB       ALA  65   7.599   5.905  -1.259
  502   2HB   ALA  65          2HB       ALA  65   5.864   5.680  -0.920
  503   3HB   ALA  65          3HB       ALA  65   6.547   5.140  -2.461
  504    H    LEU  66           H        LEU  66   4.005   7.513  -1.135
  505    HA   LEU  66           HA       LEU  66   2.258   6.735  -3.250
  506   1HB   LEU  66          2HB       LEU  66   1.873   8.386  -0.737
  507   2HB   LEU  66          3HB       LEU  66   0.631   8.430  -1.964
  508    HG   LEU  66           HG       LEU  66  -0.001   6.878  -0.290
  509   1HD1  LEU  66          1HD1      LEU  66   0.784   5.239  -2.731
  510   2HD1  LEU  66          2HD1      LEU  66  -0.510   4.915  -1.575
  511   3HD1  LEU  66          3HD1      LEU  66  -0.615   6.324  -2.644
  512   1HD2  LEU  66          1HD2      LEU  66   2.555   5.334  -0.867
  513   2HD2  LEU  66          2HD2      LEU  66   2.170   6.268   0.596
  514   3HD2  LEU  66          3HD2      LEU  66   1.232   4.820   0.207
  515    H    ALA  67           H        ALA  67   3.544   9.969  -2.390
  516    HA   ALA  67           HA       ALA  67   2.015  11.375  -4.323
  517   1HB   ALA  67          1HB       ALA  67   4.795  12.108  -3.281
  518   2HB   ALA  67          2HB       ALA  67   3.583  13.208  -3.958
  519   3HB   ALA  67          3HB       ALA  67   3.294  12.414  -2.396
  520    H    HIS  68           H        HIS  68   5.338  10.071  -4.525
  521    HA   HIS  68           HA       HIS  68   5.861  10.771  -7.219
  522   1HB   HIS  68          2HB       HIS  68   7.708  10.150  -5.945
  523   2HB   HIS  68          3HB       HIS  68   6.881   8.795  -5.191
  524    HD1  HIS  68           1HD      HIS  68   8.955   9.513  -8.324
  525    HD2  HIS  68           2HD      HIS  68   6.725   6.488  -6.421
  526    HE1  HIS  68           1HE      HIS  68   9.546   7.342  -9.520
  527    H    TRP  69           H        TRP  69   4.359   7.828  -5.823
  528    HA   TRP  69           HA       TRP  69   4.328   6.384  -8.284
  529   1HB   TRP  69          2HB       TRP  69   4.516   5.368  -6.077
  530   2HB   TRP  69          3HB       TRP  69   2.952   6.013  -5.603
  531    HD1  TRP  69           HD1      TRP  69   3.147   4.223  -8.977
  532    HE1  TRP  69           HE1      TRP  69   1.839   2.071  -8.839
  533    HE3  TRP  69           HE3      TRP  69   2.435   4.074  -3.916
  534    HZ2  TRP  69           HZ2      TRP  69   0.513   0.476  -6.774
  535    HZ3  TRP  69           HZ3      TRP  69   1.127   2.225  -2.887
  536    HH2  TRP  69           HH2      TRP  69   0.160   0.436  -4.305
  537    H    THR  70           H        THR  70   1.788   8.268  -6.545
  538    HA   THR  70           HA       THR  70  -0.085   7.580  -8.774
  539    HB   THR  70           HB       THR  70  -1.840   7.645  -7.190
  540    HG1  THR  70           1HG      THR  70   0.115   8.255  -5.217
  541   1HG2  THR  70          1HG2      THR  70  -0.598   5.494  -7.431
  542   2HG2  THR  70          2HG2      THR  70   0.351   5.912  -5.986
  543   3HG2  THR  70          3HG2      THR  70  -1.404   5.682  -5.865
  544    H    GLY  71           H        GLY  71   1.602  10.269  -7.561
  545   1HA   GLY  71          1HA       GLY  71   1.346  12.507  -7.918
  546   2HA   GLY  71          2HA       GLY  71  -0.035  12.182  -8.979
  547    H    ARG  72           H        ARG  72  -0.309  10.716  -5.833
  548    HA   ARG  72           HA       ARG  72  -2.011  12.948  -4.829
  549   1HB   ARG  72          2HB       ARG  72  -2.744  10.004  -5.014
  550   2HB   ARG  72          3HB       ARG  72  -3.552  11.156  -3.963
  551   1HG   ARG  72          2HG       ARG  72  -3.618  12.516  -6.382
  552   2HG   ARG  72          3HG       ARG  72  -3.706  10.838  -6.921
  553   1HD   ARG  72          2HD       ARG  72  -5.939  11.717  -6.632
  554   2HD   ARG  72          3HD       ARG  72  -5.663  10.509  -5.362
  555    HE   ARG  72           HE       ARG  72  -4.890  12.830  -4.142
  556   1HH1  ARG  72          1HH2      ARG  72  -7.889  12.075  -5.893
  557   2HH1  ARG  72          2HH2      ARG  72  -8.848  13.176  -4.976
  558   1HH2  ARG  72          1HH1      ARG  72  -6.102  14.184  -2.924
  559   2HH2  ARG  72          2HH1      ARG  72  -7.798  14.434  -3.212
  560    H    GLY  73           H        GLY  73   0.081  13.407  -3.813
  561   1HA   GLY  73          1HA       GLY  73   0.888  11.820  -1.508
  562   2HA   GLY  73          2HA       GLY  73   1.336  13.496  -1.890
  563    H    THR  74           H        THR  74  -1.897  13.730  -2.197
  564    HA   THR  74           HA       THR  74  -2.483  14.959   0.284
  565    HB   THR  74           HB       THR  74  -4.879  14.602  -0.633
  566    HG1  THR  74           1HG      THR  74  -4.263  12.767  -1.937
  567   1HG2  THR  74          1HG2      THR  74  -2.852  15.952  -2.464
  568   2HG2  THR  74          2HG2      THR  74  -4.605  16.239  -2.430
  569   3HG2  THR  74          3HG2      THR  74  -3.616  16.669  -1.024
  570    H    VAL  75           H        VAL  75  -4.172  14.222   1.813
  571    HA   VAL  75           HA       VAL  75  -4.484  11.288   1.955
  572    HB   VAL  75           HB       VAL  75  -4.543  11.502   4.433
  573   1HG1  VAL  75          1HG1      VAL  75  -2.615  10.546   3.224
  574   2HG1  VAL  75          2HG1      VAL  75  -1.863  12.153   3.148
  575   3HG1  VAL  75          3HG1      VAL  75  -2.125  11.365   4.715
  576   1HG2  VAL  75          1HG2      VAL  75  -4.792  14.006   4.571
  577   2HG2  VAL  75          2HG2      VAL  75  -3.545  13.317   5.592
  578   3HG2  VAL  75          3HG2      VAL  75  -3.084  14.149   4.090
  579    HA   PRO  76           HA       PRO  76  -5.797   9.903   3.130
  580   1HB   PRO  76          2HB       PRO  76  -8.042   8.450   2.639
  581   2HB   PRO  76          3HB       PRO  76  -7.779   9.322   4.181
  582   1HG   PRO  76          2HG       PRO  76  -9.374  10.225   1.770
  583   2HG   PRO  76          3HG       PRO  76  -9.847  10.274   3.503
  584   1HD   PRO  76          2HD       PRO  76  -8.822  12.447   2.158
  585   2HD   PRO  76          3HD       PRO  76  -8.545  12.174   3.902
  586    H    ASN  77           H        ASN  77  -5.484   8.105   1.640
  587    HA   ASN  77           HA       ASN  77  -6.118   8.523  -1.239
  588   1HB   ASN  77          2HB       ASN  77  -3.795   9.316  -0.786
  589   2HB   ASN  77          3HB       ASN  77  -3.395   7.760  -0.068
  590   1HD2  ASN  77          2HD2      ASN  77  -2.101   9.069  -2.394
  591   2HD2  ASN  77          1HD2      ASN  77  -2.235   7.913  -3.680
  592    H    VAL  78           H        VAL  78  -7.214   6.681  -1.856
  593    HA   VAL  78           HA       VAL  78  -7.164   4.407   0.068
  594    HB   VAL  78           HB       VAL  78  -9.537   5.430  -1.532
  595   1HG1  VAL  78          1HG1      VAL  78  -9.817   3.089  -0.923
  596   2HG1  VAL  78          2HG1      VAL  78  -9.279   3.404   0.738
  597   3HG1  VAL  78          3HG1      VAL  78 -10.822   4.049   0.164
  598   1HG2  VAL  78          1HG2      VAL  78  -8.957   7.165   0.114
  599   2HG2  VAL  78          2HG2      VAL  78 -10.407   6.314   0.617
  600   3HG2  VAL  78          3HG2      VAL  78  -8.855   5.939   1.398
  601    H    PHE  79           H        PHE  79  -7.214   2.379  -0.644
  602    HA   PHE  79           HA       PHE  79  -7.135   1.794  -3.556
  603   1HB   PHE  79          2HB       PHE  79  -5.336   0.749  -1.310
  604   2HB   PHE  79          3HB       PHE  79  -5.494  -0.048  -2.858
  605    HD1  PHE  79           1HD      PHE  79  -3.851   0.334  -4.449
  606    HD2  PHE  79           2HD      PHE  79  -4.606   3.378  -1.482
  607    HE1  PHE  79           1HE      PHE  79  -1.977   1.681  -5.343
  608    HE2  PHE  79           2HE      PHE  79  -2.735   4.709  -2.381
  609    HZ   PHE  79           HZ       PHE  79  -1.398   3.862  -4.301
  610    H    ILE  80           H        ILE  80  -8.009  -0.239  -4.079
  611    HA   ILE  80           HA       ILE  80  -9.193  -1.882  -1.958
  612    HB   ILE  80           HB       ILE  80 -10.824  -0.905  -4.343
  613   1HG1  ILE  80          2HG1      ILE  80 -10.998  -0.177  -1.401
  614   2HG1  ILE  80          3HG1      ILE  80 -10.676   0.903  -2.752
  615   1HG2  ILE  80          1HG2      ILE  80 -11.324  -3.228  -3.755
  616   2HG2  ILE  80          2HG2      ILE  80 -11.600  -2.771  -2.066
  617   3HG2  ILE  80          3HG2      ILE  80 -12.680  -2.202  -3.347
  618   1HD1  ILE  80          1HD1      ILE  80 -13.008   0.456  -3.596
  619   2HD1  ILE  80          2HD1      ILE  80 -13.323  -0.414  -2.078
  620   3HD1  ILE  80          3HD1      ILE  80 -12.896   1.302  -2.041
  621    H    GLY  81           H        GLY  81  -8.993  -4.036  -2.527
  622   1HA   GLY  81          1HA       GLY  81  -8.135  -5.865  -3.596
  623   2HA   GLY  81          2HA       GLY  81  -8.845  -5.172  -5.063
  624    H    GLY  82           H        GLY  82  -6.185  -3.616  -3.239
  625   1HA   GLY  82          1HA       GLY  82  -3.968  -3.329  -3.717
  626   2HA   GLY  82          2HA       GLY  82  -4.058  -4.653  -4.880
  627    H    LYS  83           H        LYS  83  -6.354  -2.029  -5.446
  628    HA   LYS  83           HA       LYS  83  -4.502  -0.742  -7.409
  629   1HB   LYS  83          2HB       LYS  83  -6.123  -2.323  -8.485
  630   2HB   LYS  83          3HB       LYS  83  -7.461  -1.419  -7.760
  631   1HG   LYS  83          2HG       LYS  83  -6.796   0.597  -9.040
  632   2HG   LYS  83          3HG       LYS  83  -5.414  -0.287  -9.722
  633   1HD   LYS  83          2HD       LYS  83  -6.988  -1.881 -10.815
  634   2HD   LYS  83          3HD       LYS  83  -8.351  -1.043 -10.066
  635   1HE   LYS  83          2HE       LYS  83  -8.228  -0.293 -12.328
  636   2HE   LYS  83          3HE       LYS  83  -7.739   1.045 -11.288
  637   1HZ   LYS  83          1HZ       LYS  83  -6.289   0.797 -13.210
  638   2HZ   LYS  83          2HZ       LYS  83  -5.426   0.543 -11.855
  639   3HZ   LYS  83          3HZ       LYS  83  -5.885  -0.722 -12.791
  640    H    GLN  84           H        GLN  84  -4.701   1.548  -7.474
  641    HA   GLN  84           HA       GLN  84  -5.852   2.811  -5.144
  642   1HB   GLN  84          2HB       GLN  84  -3.839   3.670  -6.420
  643   2HB   GLN  84          3HB       GLN  84  -4.925   4.094  -7.750
  644   1HG   GLN  84          2HG       GLN  84  -6.208   5.578  -6.141
  645   2HG   GLN  84          3HG       GLN  84  -5.044   5.144  -4.886
  646   1HE2  GLN  84          2HE2      GLN  84  -4.048   7.086  -4.531
  647   2HE2  GLN  84          1HE2      GLN  84  -3.141   7.964  -5.765
  648    H    ILE  85           H        ILE  85  -7.842   3.811  -4.947
  649    HA   ILE  85           HA       ILE  85  -9.674   3.756  -7.317
  650    HB   ILE  85           HB       ILE  85 -10.091   3.495  -4.356
  651   1HG1  ILE  85          2HG1      ILE  85 -11.712   1.843  -5.014
  652   2HG1  ILE  85          3HG1      ILE  85 -11.668   2.351  -6.703
  653   1HG2  ILE  85          1HG2      ILE  85 -12.168   4.747  -6.203
  654   2HG2  ILE  85          2HG2      ILE  85 -12.514   4.052  -4.607
  655   3HG2  ILE  85          3HG2      ILE  85 -11.467   5.464  -4.733
  656   1HD1  ILE  85          1HD1      ILE  85 -10.504   0.196  -6.287
  657   2HD1  ILE  85          2HD1      ILE  85  -9.441   1.403  -6.982
  658   3HD1  ILE  85          3HD1      ILE  85  -9.352   1.048  -5.237
  659    H    GLY  86           H        GLY  86  -8.471   5.903  -4.616
  660   1HA   GLY  86          1HA       GLY  86  -7.909   8.140  -6.079
  661   2HA   GLY  86          2HA       GLY  86  -9.665   8.218  -5.903
  662    H    GLY  87           H        GLY  87  -9.718   9.969  -4.547
  663   1HA   GLY  87          1HA       GLY  87  -8.373   9.778  -1.874
  664   2HA   GLY  87          2HA       GLY  87  -8.806  11.281  -2.694
  665    H    CYS  88           H        CYS  88  -9.889  11.595  -0.540
  666    HA   CYS  88           HA       CYS  88 -12.070  10.137   0.422
  667   1HB   CYS  88          2HB       CYS  88 -12.771  12.448   1.366
  668   2HB   CYS  88          3HB       CYS  88 -11.206  11.807   1.856
  669    HG   CYS  88           HG       CYS  88 -11.119  14.451   1.450
  670    H    ASP  89           H        ASP  89 -12.165  12.948  -1.800
  671    HA   ASP  89           HA       ASP  89 -14.962  12.986  -2.105
  672   1HB   ASP  89          2HB       ASP  89 -13.522  14.826  -2.843
  673   2HB   ASP  89          3HB       ASP  89 -12.770  13.793  -4.061
  674    H    THR  90           H        THR  90 -12.521  11.006  -3.852
  675    HA   THR  90           HA       THR  90 -14.295  10.076  -5.854
  676    HB   THR  90           HB       THR  90 -11.987   8.453  -4.747
  677    HG1  THR  90           1HG      THR  90 -11.763  10.787  -6.347
  678   1HG2  THR  90          1HG2      THR  90 -13.100   8.968  -7.538
  679   2HG2  THR  90          2HG2      THR  90 -11.639   8.018  -7.192
  680   3HG2  THR  90          3HG2      THR  90 -13.216   7.469  -6.595
  681    H    VAL  91           H        VAL  91 -13.366   8.612  -2.632
  682    HA   VAL  91           HA       VAL  91 -15.127   6.372  -3.142
  683    HB   VAL  91           HB       VAL  91 -14.792   5.799  -0.752
  684   1HG1  VAL  91          1HG1      VAL  91 -12.446   5.168  -1.036
  685   2HG1  VAL  91          2HG1      VAL  91 -13.330   4.953  -2.547
  686   3HG1  VAL  91          3HG1      VAL  91 -12.246   6.351  -2.344
  687   1HG2  VAL  91          1HG2      VAL  91 -14.394   8.068   0.202
  688   2HG2  VAL  91          2HG2      VAL  91 -13.106   6.916   0.581
  689   3HG2  VAL  91          3HG2      VAL  91 -12.846   8.141  -0.669
  690    H    VAL  92           H        VAL  92 -15.620   9.543  -1.486
  691    HA   VAL  92           HA       VAL  92 -18.199   8.803  -0.454
  692    HB   VAL  92           HB       VAL  92 -16.923  11.487  -1.130
  693   1HG1  VAL  92          1HG1      VAL  92 -19.356  11.821  -1.221
  694   2HG1  VAL  92          2HG1      VAL  92 -19.557  10.966   0.323
  695   3HG1  VAL  92          3HG1      VAL  92 -18.709  12.527   0.259
  696   1HG2  VAL  92          1HG2      VAL  92 -15.926  10.169   0.784
  697   2HG2  VAL  92          2HG2      VAL  92 -16.658  11.692   1.292
  698   3HG2  VAL  92          3HG2      VAL  92 -17.518  10.160   1.561
  699    H    GLU  93           H        GLU  93 -17.152  10.324  -3.595
  700    HA   GLU  93           HA       GLU  93 -19.743  10.641  -4.670
  701   1HB   GLU  93          2HB       GLU  93 -17.822  11.725  -5.660
  702   2HB   GLU  93          3HB       GLU  93 -17.003  10.185  -5.909
  703   1HG   GLU  93          2HG       GLU  93 -17.782  11.001  -8.010
  704   2HG   GLU  93          3HG       GLU  93 -18.608   9.511  -7.589
  705    H    LYS  94           H        LYS  94 -17.447   7.852  -4.983
  706    HA   LYS  94           HA       LYS  94 -19.285   6.290  -6.550
  707   1HB   LYS  94          2HB       LYS  94 -16.892   5.498  -4.842
  708   2HB   LYS  94          3HB       LYS  94 -17.784   4.376  -5.887
  709   1HG   LYS  94          2HG       LYS  94 -17.235   5.692  -7.877
  710   2HG   LYS  94          3HG       LYS  94 -16.488   6.943  -6.905
  711   1HD   LYS  94          2HD       LYS  94 -14.675   5.713  -7.769
  712   2HD   LYS  94          3HD       LYS  94 -14.813   5.249  -6.080
  713   1HE   LYS  94          2HE       LYS  94 -14.403   3.235  -7.224
  714   2HE   LYS  94          3HE       LYS  94 -16.132   3.188  -6.866
  715   1HZ   LYS  94          1HZ       LYS  94 -16.540   3.903  -9.191
  716   2HZ   LYS  94          2HZ       LYS  94 -14.926   3.936  -9.479
  717   3HZ   LYS  94          3HZ       LYS  94 -15.666   2.525  -9.150
  718    H    HIS  95           H        HIS  95 -18.959   6.669  -2.986
  719    HA   HIS  95           HA       HIS  95 -20.822   4.559  -2.394
  720   1HB   HIS  95          2HB       HIS  95 -19.336   5.510  -0.685
  721   2HB   HIS  95          3HB       HIS  95 -20.126   7.076  -0.830
  722    HD1  HIS  95           1HD      HIS  95 -21.428   3.459  -0.059
  723    HD2  HIS  95           2HD      HIS  95 -21.835   7.494   1.055
  724    HE1  HIS  95           1HE      HIS  95 -23.176   3.518   1.787
  725    H    GLN  96           H        GLN  96 -21.258   8.111  -2.993
  726    HA   GLN  96           HA       GLN  96 -24.066   8.092  -2.614
  727   1HB   GLN  96          2HB       GLN  96 -22.291   9.886  -4.326
  728   2HB   GLN  96          3HB       GLN  96 -24.010  10.164  -4.108
  729   1HG   GLN  96          2HG       GLN  96 -21.944  10.126  -1.875
  730   2HG   GLN  96          3HG       GLN  96 -22.627  11.563  -2.611
  731   1HE2  GLN  96          2HE2      GLN  96 -22.726  10.408   0.244
  732   2HE2  GLN  96          1HE2      GLN  96 -24.425  10.409   0.642
  733    H    ARG  97           H        ARG  97 -22.119   7.426  -5.573
  734    HA   ARG  97           HA       ARG  97 -24.439   7.008  -7.250
  735   1HB   ARG  97          2HB       ARG  97 -21.540   6.104  -7.594
  736   2HB   ARG  97          3HB       ARG  97 -22.810   5.929  -8.809
  737   1HG   ARG  97          2HG       ARG  97 -23.140   8.515  -8.501
  738   2HG   ARG  97          3HG       ARG  97 -21.511   8.471  -7.826
  739   1HD   ARG  97          2HD       ARG  97 -22.365   7.481 -10.581
  740   2HD   ARG  97          3HD       ARG  97 -21.555   9.002 -10.258
  741    HE   ARG  97           HE       ARG  97 -20.408   6.260 -10.189
  742   1HH1  ARG  97          1HH2      ARG  97 -19.741   9.761  -9.840
  743   2HH1  ARG  97          2HH2      ARG  97 -18.116   9.602 -10.425
  744   1HH2  ARG  97          1HH1      ARG  97 -18.204   6.038 -10.482
  745   2HH2  ARG  97          2HH1      ARG  97 -17.192   7.435 -10.706
  746    H    ASN  98           H        ASN  98 -23.502   5.159  -4.635
  747    HA   ASN  98           HA       ASN  98 -23.622   3.041  -3.982
  748   1HB   ASN  98          2HB       ASN  98 -26.055   3.489  -4.325
  749   2HB   ASN  98          3HB       ASN  98 -25.941   2.743  -5.923
  750   1HD2  ASN  98          2HD2      ASN  98 -25.110   2.019  -2.447
  751   2HD2  ASN  98          1HD2      ASN  98 -25.578   0.345  -2.544
  752    H    GLU  99           H        GLU  99 -21.678   3.592  -5.746
  753    HA   GLU  99           HA       GLU  99 -21.438   1.302  -7.641
  754   1HB   GLU  99          2HB       GLU  99 -21.453   3.664  -8.474
  755   2HB   GLU  99          3HB       GLU  99 -20.018   3.992  -7.498
  756   1HG   GLU  99          2HG       GLU  99 -18.785   2.240  -8.808
  757   2HG   GLU  99          3HG       GLU  99 -20.224   2.033  -9.824
  758    H    LEU 100           H        LEU 100 -19.982   3.032  -4.906
  759    HA   LEU 100           HA       LEU 100 -17.546   1.547  -4.712
  760   1HB   LEU 100          2HB       LEU 100 -18.024   3.668  -3.479
  761   2HB   LEU 100          3HB       LEU 100 -19.253   2.828  -2.529
  762    HG   LEU 100           HG       LEU 100 -17.480   1.355  -1.582
  763   1HD1  LEU 100          1HD1      LEU 100 -15.775   1.414  -3.332
  764   2HD1  LEU 100          2HD1      LEU 100 -15.578   3.174  -3.127
  765   3HD1  LEU 100          3HD1      LEU 100 -15.100   2.054  -1.834
  766   1HD2  LEU 100          1HD2      LEU 100 -18.194   3.358  -0.374
  767   2HD2  LEU 100          2HD2      LEU 100 -16.469   3.072  -0.127
  768   3HD2  LEU 100          3HD2      LEU 100 -16.999   4.341  -1.252
  769    H    LEU 101           H        LEU 101 -20.882   0.901  -3.545
  770    HA   LEU 101           HA       LEU 101 -20.168  -1.255  -1.846
  771   1HB   LEU 101          2HB       LEU 101 -22.751  -0.308  -3.068
  772   2HB   LEU 101          3HB       LEU 101 -22.697  -1.934  -2.420
  773    HG   LEU 101           HG       LEU 101 -23.593  -0.372  -0.814
  774   1HD1  LEU 101          1HD1      LEU 101 -22.349  -1.013   1.130
  775   2HD1  LEU 101          2HD1      LEU 101 -22.281  -2.357  -0.021
  776   3HD1  LEU 101          3HD1      LEU 101 -20.872  -1.299   0.199
  777   1HD2  LEU 101          1HD2      LEU 101 -20.884   1.015  -0.751
  778   2HD2  LEU 101          2HD2      LEU 101 -22.359   1.662  -1.522
  779   3HD2  LEU 101          3HD2      LEU 101 -22.324   1.384   0.227
  780    HA   PRO 102           HA       PRO 102 -21.005  -4.283  -5.592
  781   1HB   PRO 102          2HB       PRO 102 -20.203  -2.269  -7.714
  782   2HB   PRO 102          3HB       PRO 102 -21.184  -3.759  -7.885
  783   1HG   PRO 102          2HG       PRO 102 -22.390  -1.335  -7.690
  784   2HG   PRO 102          3HG       PRO 102 -23.049  -2.742  -6.795
  785   1HD   PRO 102          2HD       PRO 102 -21.407  -0.459  -5.743
  786   2HD   PRO 102          3HD       PRO 102 -22.753  -1.352  -4.987
  787    H    LEU 103           H        LEU 103 -18.485  -1.675  -5.842
  788    HA   LEU 103           HA       LEU 103 -16.411  -3.459  -6.682
  789   1HB   LEU 103          2HB       LEU 103 -16.302  -1.059  -7.065
  790   2HB   LEU 103          3HB       LEU 103 -16.332  -0.735  -5.331
  791    HG   LEU 103           HG       LEU 103 -14.135  -1.754  -5.037
  792   1HD1  LEU 103          1HD1      LEU 103 -14.149  -2.221  -8.054
  793   2HD1  LEU 103          2HD1      LEU 103 -12.732  -2.383  -6.992
  794   3HD1  LEU 103          3HD1      LEU 103 -14.101  -3.476  -6.797
  795   1HD2  LEU 103          1HD2      LEU 103 -14.325   0.645  -5.613
  796   2HD2  LEU 103          2HD2      LEU 103 -12.824  -0.071  -6.222
  797   3HD2  LEU 103          3HD2      LEU 103 -14.169   0.241  -7.337
  798    H    LEU 104           H        LEU 104 -17.452  -2.321  -3.434
  799    HA   LEU 104           HA       LEU 104 -15.372  -3.649  -1.970
  800   1HB   LEU 104          2HB       LEU 104 -18.189  -2.765  -1.221
  801   2HB   LEU 104          3HB       LEU 104 -17.076  -3.482  -0.071
  802    HG   LEU 104           HG       LEU 104 -16.401  -0.945  -1.616
  803   1HD1  LEU 104          1HD1      LEU 104 -18.401  -0.538  -0.272
  804   2HD1  LEU 104          2HD1      LEU 104 -17.645  -1.289   1.146
  805   3HD1  LEU 104          3HD1      LEU 104 -17.004   0.238   0.494
  806   1HD2  LEU 104          1HD2      LEU 104 -14.743  -0.601   0.143
  807   2HD2  LEU 104          2HD2      LEU 104 -15.223  -2.115   0.933
  808   3HD2  LEU 104          3HD2      LEU 104 -14.447  -2.139  -0.666
  809    H    GLN 105           H        GLN 105 -18.634  -4.696  -3.033
  810    HA   GLN 105           HA       GLN 105 -18.618  -7.212  -1.693
  811   1HB   GLN 105          2HB       GLN 105 -19.977  -6.292  -4.259
  812   2HB   GLN 105          3HB       GLN 105 -20.273  -7.862  -3.508
  813   1HG   GLN 105          2HG       GLN 105 -21.236  -6.877  -1.552
  814   2HG   GLN 105          3HG       GLN 105 -20.673  -5.271  -1.987
  815   1HE2  GLN 105          2HE2      GLN 105 -22.874  -4.464  -1.801
  816   2HE2  GLN 105          1HE2      GLN 105 -24.030  -4.767  -3.078
  817    H    ASP 106           H        ASP 106 -17.604  -6.269  -4.990
  818    HA   ASP 106           HA       ASP 106 -16.744  -8.844  -5.814
  819   1HB   ASP 106          2HB       ASP 106 -17.222  -7.060  -7.379
  820   2HB   ASP 106          3HB       ASP 106 -15.905  -6.075  -6.732
  821    H    ALA 107           H        ALA 107 -14.953  -6.201  -4.197
  822    HA   ALA 107           HA       ALA 107 -12.419  -7.569  -4.131
  823   1HB   ALA 107          1HB       ALA 107 -12.691  -5.114  -3.937
  824   2HB   ALA 107          2HB       ALA 107 -13.514  -5.325  -2.374
  825   3HB   ALA 107          3HB       ALA 107 -11.807  -5.784  -2.552
  826    H    ALA 108           H        ALA 108 -15.288  -8.340  -2.566
  827    HA   ALA 108           HA       ALA 108 -15.969  -9.376  -0.737
  828   1HB   ALA 108          1HB       ALA 108 -14.636 -11.228  -1.674
  829   2HB   ALA 108          2HB       ALA 108 -13.236 -10.711  -0.704
  830   3HB   ALA 108          3HB       ALA 108 -14.710 -11.289   0.095
  831    H    ALA 109           H        ALA 109 -14.830  -6.751  -0.434
  832    HA   ALA 109           HA       ALA 109 -13.416  -6.603   2.121
  833   1HB   ALA 109          1HB       ALA 109 -14.906  -4.487   0.501
  834   2HB   ALA 109          2HB       ALA 109 -13.800  -4.197   1.859
  835   3HB   ALA 109          3HB       ALA 109 -13.187  -4.877   0.330
  836    H    THR 110           H        THR 110 -16.799  -6.025   0.921
  837    HA   THR 110           HA       THR 110 -17.836  -5.958   3.685
  838    HB   THR 110           HB       THR 110 -20.019  -5.759   2.313
  839    HG1  THR 110           1HG      THR 110 -19.673  -5.170   0.138
  840   1HG2  THR 110          1HG2      THR 110 -19.563  -3.378   1.690
  841   2HG2  THR 110          2HG2      THR 110 -19.031  -3.787   3.329
  842   3HG2  THR 110          3HG2      THR 110 -17.839  -3.652   2.026
  843    H    ALA 111           H        ALA 111 -17.928  -7.919   0.753
  844    HA   ALA 111           HA       ALA 111 -18.601  -9.988   0.222
  845   1HB   ALA 111          1HB       ALA 111 -16.610 -10.562   1.582
  846   2HB   ALA 111          2HB       ALA 111 -17.651 -10.754   3.008
  847   3HB   ALA 111          3HB       ALA 111 -17.839 -11.834   1.611
  848    H    LYS 112           H        LYS 112 -20.638  -8.201   1.471
  849    HA   LYS 112           HA       LYS 112 -22.351 -10.046   2.985
  850   1HB   LYS 112          2HB       LYS 112 -23.646  -8.149   3.581
  851   2HB   LYS 112          3HB       LYS 112 -21.943  -7.755   3.773
  852   1HG   LYS 112          2HG       LYS 112 -22.073  -6.540   1.521
  853   2HG   LYS 112          3HG       LYS 112 -23.823  -6.821   1.564
  854   1HD   LYS 112          2HD       LYS 112 -23.880  -5.654   3.827
  855   2HD   LYS 112          3HD       LYS 112 -22.162  -5.311   3.634
  856   1HE   LYS 112          2HE       LYS 112 -23.264  -3.331   3.000
  857   2HE   LYS 112          3HE       LYS 112 -22.712  -4.068   1.495
  858   1HZ   LYS 112          1HZ       LYS 112 -25.479  -4.215   2.575
  859   2HZ   LYS 112          2HZ       LYS 112 -25.007  -3.265   1.346
  860   3HZ   LYS 112          3HZ       LYS 112 -25.001  -4.885   1.164
  861    H    ASN 113           H        ASN 113 -21.851  -9.879  -0.182
  862    HA   ASN 113           HA       ASN 113 -24.613 -10.694  -0.867
  863   1HB   ASN 113          2HB       ASN 113 -24.550  -8.394  -1.636
  864   2HB   ASN 113          3HB       ASN 113 -22.965  -8.654  -2.377
  865   1HD2  ASN 113          2HD2      ASN 113 -23.839  -7.978  -4.453
  866   2HD2  ASN 113          1HD2      ASN 113 -24.747  -9.149  -5.409
  867    HA   PRO 114           HA       PRO 114 -21.191 -13.557  -2.037
  868   1HB   PRO 114          2HB       PRO 114 -22.491 -15.953  -1.624
  869   2HB   PRO 114          3HB       PRO 114 -21.709 -14.998  -0.327
  870   1HG   PRO 114          2HG       PRO 114 -24.636 -15.023  -1.116
  871   2HG   PRO 114          3HG       PRO 114 -23.930 -15.155   0.527
  872   1HD   PRO 114          2HD       PRO 114 -24.865 -12.799  -0.445
  873   2HD   PRO 114          3HD       PRO 114 -23.398 -12.850   0.579
  874    H    ALA 115           H        ALA 115 -24.454 -13.203  -3.285
  875    HA   ALA 115           HA       ALA 115 -24.072 -14.815  -5.663
  876   1HB   ALA 115          1HB       ALA 115 -26.047 -12.559  -5.109
  877   2HB   ALA 115          2HB       ALA 115 -26.135 -13.743  -6.425
  878   3HB   ALA 115          3HB       ALA 115 -26.316 -14.283  -4.746
  879    H    GLN 116           H        GLN 116 -22.762 -11.818  -4.660
  880    HA   GLN 116           HA       GLN 116 -21.738 -10.097  -5.587
  881   1HB   GLN 116          2HB       GLN 116 -21.179 -12.108  -7.797
  882   2HB   GLN 116          3HB       GLN 116 -20.460 -10.510  -7.761
  883   1HG   GLN 116          2HG       GLN 116 -20.158 -12.569  -5.537
  884   2HG   GLN 116          3HG       GLN 116 -18.987 -12.271  -6.815
  885   1HE2  GLN 116          1HE2      GLN 116 -18.117 -12.020  -4.188
  886   2HE2  GLN 116          2HE2      GLN 116 -17.850 -10.318  -3.832
  887    H    LEU 117           H        LEU 117 -21.514  -8.828  -7.903
  888    HA   LEU 117           HA       LEU 117 -23.959  -7.430  -8.014
  889   1HB   LEU 117          2HB       LEU 117 -21.716  -6.463  -8.554
  890   2HB   LEU 117          3HB       LEU 117 -21.666  -7.450 -10.021
  891    HG   LEU 117           HG       LEU 117 -23.683  -6.264 -10.890
  892   1HD1  LEU 117          1HD1      LEU 117 -23.395  -4.630  -8.326
  893   2HD1  LEU 117          2HD1      LEU 117 -24.352  -4.116  -9.735
  894   3HD1  LEU 117          3HD1      LEU 117 -24.807  -5.569  -8.847
  895   1HD2  LEU 117          1HD2      LEU 117 -21.377  -4.456 -10.063
  896   2HD2  LEU 117          2HD2      LEU 117 -21.435  -5.503 -11.492
  897   3HD2  LEU 117          3HD2      LEU 117 -22.545  -4.133 -11.363
  Start of MODEL   19
    1   1H    MET   1           H1       MET   1  22.166  10.588  -6.366
    2   2H    MET   1           H2       MET   1  22.338   9.052  -5.828
    3   3H    MET   1           H3       MET   1  20.896   9.543  -6.413
    4    HA   MET   1           HA       MET   1  22.180  10.521  -3.954
    5   1HB   MET   1          2HB       MET   1  19.482  11.260  -5.184
    6   2HB   MET   1          3HB       MET   1  19.947  11.612  -3.521
    7   1HG   MET   1          2HG       MET   1  21.333  12.682  -6.005
    8   2HG   MET   1          3HG       MET   1  20.242  13.560  -4.942
    9   1HE   MET   1          1HE       MET   1  21.940  15.543  -4.727
   10   2HE   MET   1          2HE       MET   1  23.645  15.345  -4.272
   11   3HE   MET   1          3HE       MET   1  23.058  14.688  -5.815
   12    H    ALA   2           H        ALA   2  21.866   9.213  -2.211
   13    HA   ALA   2           HA       ALA   2  20.719   6.662  -2.428
   14   1HB   ALA   2          1HB       ALA   2  22.408   7.287  -0.744
   15   2HB   ALA   2          2HB       ALA   2  21.215   8.319   0.085
   16   3HB   ALA   2          3HB       ALA   2  20.981   6.561   0.019
   17    H    SER   3           H        SER   3  19.114   9.722  -1.567
   18    HA   SER   3           HA       SER   3  16.792   8.850  -0.398
   19   1HB   SER   3          2HB       SER   3  16.892  10.975  -2.560
   20   2HB   SER   3          3HB       SER   3  15.862  10.923  -1.117
   21    HG   SER   3           HG       SER   3  17.619  12.359  -0.848
   22    H    LYS   4           H        LYS   4  17.710   8.431  -3.813
   23    HA   LYS   4           HA       LYS   4  15.072   7.776  -4.770
   24   1HB   LYS   4          2HB       LYS   4  16.997   8.402  -6.219
   25   2HB   LYS   4          3HB       LYS   4  17.797   6.874  -5.816
   26   1HG   LYS   4          2HG       LYS   4  15.919   5.609  -6.818
   27   2HG   LYS   4          3HG       LYS   4  15.069   7.115  -7.179
   28   1HD   LYS   4          2HD       LYS   4  17.785   6.314  -8.320
   29   2HD   LYS   4          3HD       LYS   4  16.229   6.081  -9.132
   30   1HE   LYS   4          2HE       LYS   4  15.827   8.543  -9.058
   31   2HE   LYS   4          3HE       LYS   4  17.416   8.773  -8.318
   32   1HZ   LYS   4          1HZ       LYS   4  18.408   7.833 -10.327
   33   2HZ   LYS   4          2HZ       LYS   4  16.936   7.629 -11.010
   34   3HZ   LYS   4          3HZ       LYS   4  17.492   9.126 -10.700
   35    H    GLN   5           H        GLN   5  17.682   5.813  -3.247
   36    HA   GLN   5           HA       GLN   5  16.269   3.308  -3.675
   37   1HB   GLN   5          2HB       GLN   5  18.544   4.076  -1.786
   38   2HB   GLN   5          3HB       GLN   5  17.882   2.454  -1.925
   39   1HG   GLN   5          2HG       GLN   5  19.240   4.024  -4.156
   40   2HG   GLN   5          3HG       GLN   5  19.922   2.671  -3.251
   41   1HE2  GLN   5          2HE2      GLN   5  18.145   0.653  -3.248
   42   2HE2  GLN   5          1HE2      GLN   5  17.627   0.233  -4.859
   43    H    GLU   6           H        GLU   6  16.361   5.783  -1.060
   44    HA   GLU   6           HA       GLU   6  14.794   4.189   0.763
   45   1HB   GLU   6          2HB       GLU   6  15.152   7.212   0.558
   46   2HB   GLU   6          3HB       GLU   6  14.263   6.376   1.838
   47   1HG   GLU   6          2HG       GLU   6  16.364   5.052   2.339
   48   2HG   GLU   6          3HG       GLU   6  17.229   6.103   1.214
   49    H    LEU   7           H        LEU   7  13.931   6.596  -1.762
   50    HA   LEU   7           HA       LEU   7  11.137   6.555  -1.329
   51   1HB   LEU   7          2HB       LEU   7  12.412   8.226  -2.694
   52   2HB   LEU   7          3HB       LEU   7  12.700   6.982  -3.911
   53    HG   LEU   7           HG       LEU   7  10.209   6.804  -4.270
   54   1HD1  LEU   7          1HD1      LEU   7   9.362   7.642  -2.124
   55   2HD1  LEU   7          2HD1      LEU   7  10.159   9.210  -2.384
   56   3HD1  LEU   7          3HD1      LEU   7   8.810   8.709  -3.424
   57   1HD2  LEU   7          1HD2      LEU   7  11.425   9.575  -4.624
   58   2HD2  LEU   7          2HD2      LEU   7  11.645   8.189  -5.712
   59   3HD2  LEU   7          3HD2      LEU   7  10.040   8.911  -5.524
   60    H    ASP   8           H        ASP   8  13.218   4.513  -3.457
   61    HA   ASP   8           HA       ASP   8  11.053   3.009  -4.574
   62   1HB   ASP   8          2HB       ASP   8  13.257   3.104  -5.629
   63   2HB   ASP   8          3HB       ASP   8  14.002   2.337  -4.223
   64    H    ALA   9           H        ALA   9  13.136   2.430  -1.682
   65    HA   ALA   9           HA       ALA   9  11.981  -0.112  -1.080
   66   1HB   ALA   9          1HB       ALA   9  13.276   1.944   0.775
   67   2HB   ALA   9          2HB       ALA   9  12.972   0.237   1.163
   68   3HB   ALA   9          3HB       ALA   9  14.125   0.662  -0.121
   69    H    ALA  10           H        ALA  10  11.146   3.236  -0.062
   70    HA   ALA  10           HA       ALA  10   8.932   2.567   1.587
   71   1HB   ALA  10          1HB       ALA  10   9.971   4.783   1.605
   72   2HB   ALA  10          2HB       ALA  10   9.494   5.059  -0.083
   73   3HB   ALA  10          3HB       ALA  10   8.260   4.922   1.175
   74    H    LEU  11           H        LEU  11   9.145   3.128  -1.981
   75    HA   LEU  11           HA       LEU  11   6.369   2.805  -2.496
   76   1HB   LEU  11          2HB       LEU  11   7.932   3.698  -4.171
   77   2HB   LEU  11          3HB       LEU  11   8.785   2.159  -4.237
   78    HG   LEU  11           HG       LEU  11   6.786   1.033  -5.164
   79   1HD1  LEU  11          1HD1      LEU  11   4.944   2.275  -4.237
   80   2HD1  LEU  11          2HD1      LEU  11   5.556   3.797  -4.909
   81   3HD1  LEU  11          3HD1      LEU  11   4.901   2.534  -5.980
   82   1HD2  LEU  11          1HD2      LEU  11   6.832   2.129  -7.368
   83   2HD2  LEU  11          2HD2      LEU  11   7.603   3.556  -6.645
   84   3HD2  LEU  11          3HD2      LEU  11   8.454   1.998  -6.668
   85    H    LYS  12           H        LYS  12   9.000   0.307  -2.408
   86    HA   LYS  12           HA       LYS  12   7.275  -1.834  -3.029
   87   1HB   LYS  12          2HB       LYS  12   9.783  -1.853  -2.970
   88   2HB   LYS  12          3HB       LYS  12   9.721  -1.858  -1.200
   89   1HG   LYS  12          2HG       LYS  12   8.537  -4.045  -1.243
   90   2HG   LYS  12          3HG       LYS  12   8.493  -3.984  -3.012
   91   1HD   LYS  12          2HD       LYS  12  10.286  -5.438  -2.405
   92   2HD   LYS  12          3HD       LYS  12  11.001  -3.941  -3.035
   93   1HE   LYS  12          2HE       LYS  12  11.410  -3.159  -0.709
   94   2HE   LYS  12          3HE       LYS  12  10.646  -4.623  -0.075
   95   1HZ   LYS  12          1HZ       LYS  12  12.422  -5.915  -1.106
   96   2HZ   LYS  12          2HZ       LYS  12  13.128  -4.564  -1.697
   97   3HZ   LYS  12          3HZ       LYS  12  13.051  -4.812  -0.089
   98    H    LYS  13           H        LYS  13   8.045  -0.370   0.185
   99    HA   LYS  13           HA       LYS  13   6.377  -2.183   1.611
  100   1HB   LYS  13          2HB       LYS  13   8.125  -0.717   2.653
  101   2HB   LYS  13          3HB       LYS  13   7.107   0.689   2.347
  102   1HG   LYS  13          2HG       LYS  13   6.894  -0.010   4.666
  103   2HG   LYS  13          3HG       LYS  13   5.353  -0.253   3.844
  104   1HD   LYS  13          2HD       LYS  13   5.865  -2.687   3.616
  105   2HD   LYS  13          3HD       LYS  13   7.426  -2.422   4.420
  106   1HE   LYS  13          2HE       LYS  13   6.182  -1.628   6.449
  107   2HE   LYS  13          3HE       LYS  13   4.657  -1.949   5.608
  108   1HZ   LYS  13          1HZ       LYS  13   5.400  -4.303   5.416
  109   2HZ   LYS  13          2HZ       LYS  13   6.691  -3.960   6.362
  110   3HZ   LYS  13          3HZ       LYS  13   5.187  -3.820   6.975
  111    H    ALA  14           H        ALA  14   5.605   1.003   0.078
  112    HA   ALA  14           HA       ALA  14   2.921   1.105   0.962
  113   1HB   ALA  14          1HB       ALA  14   4.049   2.147  -1.670
  114   2HB   ALA  14          2HB       ALA  14   2.533   2.629  -0.888
  115   3HB   ALA  14          3HB       ALA  14   4.084   3.011  -0.115
  116    H    LYS  15           H        LYS  15   4.325  -0.475  -1.976
  117    HA   LYS  15           HA       LYS  15   1.827  -1.385  -3.014
  118   1HB   LYS  15          2HB       LYS  15   4.676  -2.424  -3.313
  119   2HB   LYS  15          3HB       LYS  15   3.292  -3.151  -4.141
  120   1HG   LYS  15          2HG       LYS  15   2.774  -1.079  -5.278
  121   2HG   LYS  15          3HG       LYS  15   4.066  -0.216  -4.426
  122   1HD   LYS  15          2HD       LYS  15   5.760  -1.641  -5.502
  123   2HD   LYS  15          3HD       LYS  15   4.482  -2.600  -6.283
  124   1HE   LYS  15          2HE       LYS  15   3.680  -0.546  -7.455
  125   2HE   LYS  15          3HE       LYS  15   4.997   0.377  -6.725
  126   1HZ   LYS  15          1HZ       LYS  15   5.333  -1.914  -8.583
  127   2HZ   LYS  15          2HZ       LYS  15   5.554  -0.350  -8.966
  128   3HZ   LYS  15          3HZ       LYS  15   6.565  -1.076  -7.913
  129    H    GLU  16           H        GLU  16   4.119  -2.950  -0.712
  130    HA   GLU  16           HA       GLU  16   2.664  -5.358  -0.398
  131   1HB   GLU  16          2HB       GLU  16   4.957  -4.994   0.450
  132   2HB   GLU  16          3HB       GLU  16   4.356  -3.832   1.634
  133   1HG   GLU  16          2HG       GLU  16   2.955  -5.648   2.662
  134   2HG   GLU  16          3HG       GLU  16   3.651  -6.792   1.513
  135    H    LEU  17           H        LEU  17   2.484  -2.296   1.507
  136    HA   LEU  17           HA       LEU  17   0.400  -3.068   3.235
  137   1HB   LEU  17          2HB       LEU  17   1.238  -0.357   2.140
  138   2HB   LEU  17          3HB       LEU  17  -0.057  -0.519   3.318
  139    HG   LEU  17           HG       LEU  17   2.725  -1.618   3.829
  140   1HD1  LEU  17          1HD1      LEU  17   3.197   0.413   5.131
  141   2HD1  LEU  17          2HD1      LEU  17   2.931   0.795   3.424
  142   3HD1  LEU  17          3HD1      LEU  17   1.651   1.110   4.616
  143   1HD2  LEU  17          1HD2      LEU  17   0.439  -0.927   5.703
  144   2HD2  LEU  17          2HD2      LEU  17   1.021  -2.557   5.284
  145   3HD2  LEU  17          3HD2      LEU  17   2.055  -1.462   6.203
  146    H    ALA  18           H        ALA  18   0.177  -1.358   0.092
  147    HA   ALA  18           HA       ALA  18  -2.601  -1.055  -0.043
  148   1HB   ALA  18          1HB       ALA  18  -0.579  -1.445  -2.284
  149   2HB   ALA  18          2HB       ALA  18  -2.208  -0.767  -2.462
  150   3HB   ALA  18          3HB       ALA  18  -0.990   0.104  -1.509
  151    H    SER  19           H        SER  19  -0.677  -3.965  -0.568
  152    HA   SER  19           HA       SER  19  -2.924  -5.340  -1.935
  153   1HB   SER  19          2HB       SER  19  -0.094  -6.296  -1.356
  154   2HB   SER  19          3HB       SER  19  -1.274  -7.025  -2.460
  155    HG   SER  19           HG       SER  19   0.134  -4.576  -2.675
  156    H    SER  20           H        SER  20  -1.440  -5.090   1.224
  157    HA   SER  20           HA       SER  20  -1.842  -7.742   2.060
  158   1HB   SER  20          2HB       SER  20  -1.238  -6.920   4.268
  159   2HB   SER  20          3HB       SER  20  -0.187  -6.260   3.014
  160    HG   SER  20           HG       SER  20  -1.618  -4.331   3.095
  161    H    ALA  21           H        ALA  21  -4.314  -5.365   1.714
  162    HA   ALA  21           HA       ALA  21  -6.216  -7.135   3.097
  163   1HB   ALA  21          1HB       ALA  21  -5.612  -5.473   4.823
  164   2HB   ALA  21          2HB       ALA  21  -5.938  -4.150   3.679
  165   3HB   ALA  21          3HB       ALA  21  -7.263  -5.162   4.256
  166    HA   PRO  22           HA       PRO  22  -8.561  -6.161  -0.484
  167   1HB   PRO  22          2HB       PRO  22 -11.186  -6.178   0.329
  168   2HB   PRO  22          3HB       PRO  22 -10.164  -7.643   0.234
  169   1HG   PRO  22          2HG       PRO  22 -10.700  -5.918   2.681
  170   2HG   PRO  22          3HG       PRO  22 -10.864  -7.702   2.530
  171   1HD   PRO  22          2HD       PRO  22  -8.644  -6.618   3.569
  172   2HD   PRO  22          3HD       PRO  22  -8.501  -7.982   2.427
  173    H    VAL  23           H        VAL  23  -8.746  -3.886   2.182
  174    HA   VAL  23           HA       VAL  23  -9.132  -1.724   0.249
  175    HB   VAL  23           HB       VAL  23 -10.684  -1.917   2.856
  176   1HG1  VAL  23          1HG1      VAL  23 -10.064   0.398   2.467
  177   2HG1  VAL  23          2HG1      VAL  23 -10.583   0.308   0.782
  178   3HG1  VAL  23          3HG1      VAL  23 -11.777   0.214   2.092
  179   1HG2  VAL  23          1HG2      VAL  23 -11.776  -2.002   0.040
  180   2HG2  VAL  23          2HG2      VAL  23 -11.773  -3.318   1.228
  181   3HG2  VAL  23          3HG2      VAL  23 -12.733  -1.879   1.538
  182    H    VAL  24           H        VAL  24  -7.737  -0.023   0.825
  183    HA   VAL  24           HA       VAL  24  -6.369  -0.179   3.451
  184    HB   VAL  24           HB       VAL  24  -4.866   0.043   0.810
  185   1HG1  VAL  24          1HG1      VAL  24  -3.744   1.190   2.689
  186   2HG1  VAL  24          2HG1      VAL  24  -3.894  -0.274   3.691
  187   3HG1  VAL  24          3HG1      VAL  24  -2.863  -0.271   2.247
  188   1HG2  VAL  24          1HG2      VAL  24  -5.687  -2.266   1.015
  189   2HG2  VAL  24          2HG2      VAL  24  -3.971  -2.214   1.333
  190   3HG2  VAL  24          3HG2      VAL  24  -5.089  -2.339   2.692
  191    H    VAL  25           H        VAL  25  -6.100   1.782   4.308
  192    HA   VAL  25           HA       VAL  25  -6.779   4.191   2.687
  193    HB   VAL  25           HB       VAL  25  -7.473   3.529   5.581
  194   1HG1  VAL  25          1HG1      VAL  25  -8.236   5.880   3.792
  195   2HG1  VAL  25          2HG1      VAL  25  -8.946   5.541   5.392
  196   3HG1  VAL  25          3HG1      VAL  25  -7.231   5.924   5.248
  197   1HG2  VAL  25          1HG2      VAL  25  -9.261   3.545   3.115
  198   2HG2  VAL  25          2HG2      VAL  25  -8.801   2.120   4.079
  199   3HG2  VAL  25          3HG2      VAL  25  -9.797   3.376   4.805
  200    H    PHE  26           H        PHE  26  -4.738   4.933   2.275
  201    HA   PHE  26           HA       PHE  26  -2.726   5.238   4.410
  202   1HB   PHE  26          2HB       PHE  26  -2.896   6.266   1.555
  203   2HB   PHE  26          3HB       PHE  26  -1.527   6.508   2.630
  204    HD1  PHE  26           1HD      PHE  26  -0.050   4.585   3.267
  205    HD2  PHE  26           2HD      PHE  26  -3.293   4.113   0.461
  206    HE1  PHE  26           1HE      PHE  26   0.885   2.389   2.548
  207    HE2  PHE  26           2HE      PHE  26  -2.345   1.934  -0.259
  208    HZ   PHE  26           HZ       PHE  26  -0.260   1.079   0.776
  209    H    SER  27           H        SER  27  -2.953   6.888   5.876
  210    HA   SER  27           HA       SER  27  -4.428   9.341   5.185
  211   1HB   SER  27          2HB       SER  27  -6.098   8.856   6.994
  212   2HB   SER  27          3HB       SER  27  -6.237   7.804   5.595
  213    HG   SER  27           HG       SER  27  -5.159   6.187   6.771
  214    H    LYS  28           H        LYS  28  -4.894  10.329   7.691
  215    HA   LYS  28           HA       LYS  28  -2.512   9.855   9.360
  216   1HB   LYS  28          2HB       LYS  28  -3.447  12.607   8.443
  217   2HB   LYS  28          3HB       LYS  28  -2.363  12.342   9.823
  218   1HG   LYS  28          2HG       LYS  28  -0.778  11.130   8.337
  219   2HG   LYS  28          3HG       LYS  28  -1.833  11.463   6.961
  220   1HD   LYS  28          2HD       LYS  28  -1.466  13.911   7.295
  221   2HD   LYS  28          3HD       LYS  28  -0.307  13.528   8.590
  222   1HE   LYS  28          2HE       LYS  28   1.008  12.131   6.989
  223   2HE   LYS  28          3HE       LYS  28  -0.156  12.491   5.714
  224   1HZ   LYS  28          1HZ       LYS  28   1.677  14.427   6.990
  225   2HZ   LYS  28          2HZ       LYS  28   1.711  13.867   5.445
  226   3HZ   LYS  28          3HZ       LYS  28   0.500  14.853   5.933
  227    H    THR  29           H        THR  29  -2.989  11.062  11.569
  228    HA   THR  29           HA       THR  29  -5.160   9.511  12.571
  229    HB   THR  29           HB       THR  29  -4.219  10.615  14.744
  230    HG1  THR  29           1HG      THR  29  -2.279  11.676  14.472
  231   1HG2  THR  29          1HG2      THR  29  -2.231   9.114  12.982
  232   2HG2  THR  29          2HG2      THR  29  -2.265   9.194  14.756
  233   3HG2  THR  29          3HG2      THR  29  -3.555   8.347  13.894
  234    H    TYR  30           H        TYR  30  -5.011  12.926  11.683
  235    HA   TYR  30           HA       TYR  30  -7.402  13.424  13.413
  236   1HB   TYR  30          2HB       TYR  30  -6.486  15.588  13.908
  237   2HB   TYR  30          3HB       TYR  30  -5.327  14.341  14.330
  238    HD1  TYR  30           1HD      TYR  30  -3.202  14.082  13.040
  239    HD2  TYR  30           2HD      TYR  30  -6.088  17.134  12.027
  240    HE1  TYR  30           1HE      TYR  30  -1.525  15.188  11.598
  241    HE2  TYR  30           2HE      TYR  30  -4.445  18.202  10.532
  242    HH   TYR  30           HH       TYR  30  -2.247  18.177   9.733
  243    H    CYS  31           H        CYS  31  -6.052  14.012  10.142
  244    HA   CYS  31           HA       CYS  31  -7.509  16.224   9.474
  245   1HB   CYS  31          2HB       CYS  31  -6.892  13.907   7.614
  246   2HB   CYS  31          3HB       CYS  31  -7.071  15.619   7.187
  247    H    GLY  32           H        GLY  32  -9.548  16.705   8.881
  248   1HA   GLY  32          1HA       GLY  32 -11.709  15.139   9.668
  249   2HA   GLY  32          2HA       GLY  32 -11.806  16.513   8.549
  250    H    TYR  33           H        TYR  33 -10.378  15.534   6.328
  251    HA   TYR  33           HA       TYR  33 -12.324  13.858   5.088
  252   1HB   TYR  33          2HB       TYR  33  -9.506  14.635   4.266
  253   2HB   TYR  33          3HB       TYR  33 -10.602  13.711   3.255
  254    HD1  TYR  33           1HD      TYR  33  -9.634  17.039   4.248
  255    HD2  TYR  33           2HD      TYR  33 -12.931  14.714   2.701
  256    HE1  TYR  33           1HE      TYR  33 -10.712  19.112   3.432
  257    HE2  TYR  33           2HE      TYR  33 -14.009  16.778   1.877
  258    HH   TYR  33           HH       TYR  33 -13.863  19.099   1.696
  259    H    CYS  34           H        CYS  34  -9.272  13.033   6.745
  260    HA   CYS  34           HA       CYS  34  -9.222  10.281   5.812
  261   1HB   CYS  34          2HB       CYS  34  -7.975  11.651   8.250
  262   2HB   CYS  34          3HB       CYS  34  -7.731   9.962   7.819
  263    HG   CYS  34           HG       CYS  34  -7.151  12.625   5.907
  264    H    ASN  35           H        ASN  35 -10.520  11.951   8.738
  265    HA   ASN  35           HA       ASN  35 -11.681   9.609   9.890
  266   1HB   ASN  35          2HB       ASN  35 -11.495  11.665  11.183
  267   2HB   ASN  35          3HB       ASN  35 -12.574  12.511  10.070
  268   1HD2  ASN  35          2HD2      ASN  35 -14.639  12.713  10.923
  269   2HD2  ASN  35          1HD2      ASN  35 -15.421  11.520  11.920
  270    H    ARG  36           H        ARG  36 -13.072  11.963   7.511
  271    HA   ARG  36           HA       ARG  36 -15.625  10.772   7.350
  272   1HB   ARG  36          2HB       ARG  36 -14.000  12.269   5.259
  273   2HB   ARG  36          3HB       ARG  36 -15.664  11.755   4.988
  274   1HG   ARG  36          2HG       ARG  36 -16.518  13.128   6.752
  275   2HG   ARG  36          3HG       ARG  36 -14.910  13.476   7.378
  276   1HD   ARG  36          2HD       ARG  36 -14.373  14.623   5.194
  277   2HD   ARG  36          3HD       ARG  36 -16.066  14.426   4.729
  278    HE   ARG  36           HE       ARG  36 -16.595  15.685   6.875
  279   1HH1  ARG  36          1HH2      ARG  36 -13.655  16.407   4.984
  280   2HH1  ARG  36          2HH2      ARG  36 -13.448  17.970   5.676
  281   1HH2  ARG  36          1HH1      ARG  36 -16.320  17.776   7.740
  282   2HH2  ARG  36          2HH1      ARG  36 -15.013  18.775   7.238
  283    H    VAL  37           H        VAL  37 -12.673   9.911   5.401
  284    HA   VAL  37           HA       VAL  37 -13.975   7.823   3.949
  285    HB   VAL  37           HB       VAL  37 -11.069   8.230   4.782
  286   1HG1  VAL  37          1HG1      VAL  37 -12.174   6.134   2.852
  287   2HG1  VAL  37          2HG1      VAL  37 -10.459   6.556   3.074
  288   3HG1  VAL  37          3HG1      VAL  37 -11.348   5.809   4.392
  289   1HG2  VAL  37          1HG2      VAL  37 -11.969   9.880   3.197
  290   2HG2  VAL  37          2HG2      VAL  37 -10.857   8.789   2.343
  291   3HG2  VAL  37          3HG2      VAL  37 -12.609   8.581   2.181
  292    H    LYS  38           H        LYS  38 -12.143   7.684   7.049
  293    HA   LYS  38           HA       LYS  38 -12.483   4.913   7.470
  294   1HB   LYS  38          2HB       LYS  38 -12.165   7.206   9.451
  295   2HB   LYS  38          3HB       LYS  38 -12.089   5.499   9.910
  296   1HG   LYS  38          2HG       LYS  38 -10.145   5.092   8.592
  297   2HG   LYS  38          3HG       LYS  38 -10.321   6.587   7.687
  298   1HD   LYS  38          2HD       LYS  38  -9.808   7.887   9.789
  299   2HD   LYS  38          3HD       LYS  38  -9.439   6.335  10.588
  300   1HE   LYS  38          2HE       LYS  38  -7.793   5.827   8.790
  301   2HE   LYS  38          3HE       LYS  38  -8.175   7.338   7.986
  302   1HZ   LYS  38          1HZ       LYS  38  -6.835   7.109  10.648
  303   2HZ   LYS  38          2HZ       LYS  38  -6.153   7.485   9.213
  304   3HZ   LYS  38          3HZ       LYS  38  -7.203   8.525   9.903
  305    H    GLN  39           H        GLN  39 -14.695   7.596   8.522
  306    HA   GLN  39           HA       GLN  39 -16.570   5.774   9.708
  307   1HB   GLN  39          2HB       GLN  39 -17.078   8.554   8.570
  308   2HB   GLN  39          3HB       GLN  39 -18.175   7.637   9.601
  309   1HG   GLN  39          2HG       GLN  39 -15.545   8.909  10.359
  310   2HG   GLN  39          3HG       GLN  39 -17.135   9.286  10.967
  311   1HE2  GLN  39          2HE2      GLN  39 -14.505   8.405  12.272
  312   2HE2  GLN  39          1HE2      GLN  39 -14.966   7.053  13.296
  313    H    LEU  40           H        LEU  40 -16.290   7.058   6.340
  314    HA   LEU  40           HA       LEU  40 -18.804   6.151   5.417
  315   1HB   LEU  40          2HB       LEU  40 -17.108   7.663   4.231
  316   2HB   LEU  40          3HB       LEU  40 -16.201   6.213   3.836
  317    HG   LEU  40           HG       LEU  40 -18.351   5.389   2.612
  318   1HD1  LEU  40          1HD1      LEU  40 -19.851   7.238   1.866
  319   2HD1  LEU  40          2HD1      LEU  40 -20.005   6.884   3.591
  320   3HD1  LEU  40          3HD1      LEU  40 -19.093   8.311   3.057
  321   1HD2  LEU  40          1HD2      LEU  40 -16.864   7.840   1.644
  322   2HD2  LEU  40          2HD2      LEU  40 -16.381   6.144   1.445
  323   3HD2  LEU  40          3HD2      LEU  40 -17.837   6.736   0.638
  324    H    LEU  41           H        LEU  41 -15.607   4.528   5.391
  325    HA   LEU  41           HA       LEU  41 -16.525   2.065   4.258
  326   1HB   LEU  41          2HB       LEU  41 -14.082   2.795   5.912
  327   2HB   LEU  41          3HB       LEU  41 -14.322   1.202   5.201
  328    HG   LEU  41           HG       LEU  41 -14.241   3.772   3.559
  329   1HD1  LEU  41          1HD1      LEU  41 -12.110   3.379   4.682
  330   2HD1  LEU  41          2HD1      LEU  41 -12.061   1.712   4.077
  331   3HD1  LEU  41          3HD1      LEU  41 -11.959   3.080   2.943
  332   1HD2  LEU  41          1HD2      LEU  41 -15.442   1.986   2.386
  333   2HD2  LEU  41          2HD2      LEU  41 -13.852   2.200   1.657
  334   3HD2  LEU  41          3HD2      LEU  41 -14.145   0.828   2.750
  335    H    THR  42           H        THR  42 -16.084   3.127   7.656
  336    HA   THR  42           HA       THR  42 -16.712   0.639   8.864
  337    HB   THR  42           HB       THR  42 -17.214   3.477   9.864
  338    HG1  THR  42           1HG      THR  42 -15.110   3.284   9.449
  339   1HG2  THR  42          1HG2      THR  42 -16.980   2.491  12.126
  340   2HG2  THR  42          2HG2      THR  42 -18.407   1.877  11.277
  341   3HG2  THR  42          3HG2      THR  42 -16.950   0.862  11.407
  342    H    GLN  43           H        GLN  43 -18.868   3.335   7.784
  343    HA   GLN  43           HA       GLN  43 -21.207   2.220   8.973
  344   1HB   GLN  43          2HB       GLN  43 -20.746   4.257   6.771
  345   2HB   GLN  43          3HB       GLN  43 -22.376   3.763   7.232
  346   1HG   GLN  43          2HG       GLN  43 -22.122   4.534   9.485
  347   2HG   GLN  43          3HG       GLN  43 -20.387   4.777   9.300
  348   1HE2  GLN  43          2HE2      GLN  43 -19.678   6.405   7.690
  349   2HE2  GLN  43          1HE2      GLN  43 -20.656   7.851   7.447
  350    H    VAL  44           H        VAL  44 -19.835   1.830   5.648
  351    HA   VAL  44           HA       VAL  44 -22.073   0.152   4.861
  352    HB   VAL  44           HB       VAL  44 -20.807  -0.288   2.828
  353   1HG1  VAL  44          1HG1      VAL  44 -20.758   2.670   3.564
  354   2HG1  VAL  44          2HG1      VAL  44 -20.818   1.973   1.935
  355   3HG1  VAL  44          3HG1      VAL  44 -22.189   1.756   3.036
  356   1HG2  VAL  44          1HG2      VAL  44 -18.586   1.391   4.026
  357   2HG2  VAL  44          2HG2      VAL  44 -18.504  -0.344   3.666
  358   3HG2  VAL  44          3HG2      VAL  44 -18.676   0.833   2.353
  359    H    GLY  45           H        GLY  45 -19.533  -0.459   6.998
  360   1HA   GLY  45          1HA       GLY  45 -18.907  -2.369   8.050
  361   2HA   GLY  45          2HA       GLY  45 -20.134  -3.264   7.134
  362    H    ALA  46           H        ALA  46 -17.476  -1.350   5.661
  363    HA   ALA  46           HA       ALA  46 -16.543  -3.660   4.132
  364   1HB   ALA  46          1HB       ALA  46 -14.809  -2.052   3.352
  365   2HB   ALA  46          2HB       ALA  46 -16.443  -1.396   3.146
  366   3HB   ALA  46          3HB       ALA  46 -15.420  -0.840   4.489
  367    H    SER  47           H        SER  47 -14.689  -4.781   4.509
  368    HA   SER  47           HA       SER  47 -13.293  -4.552   7.109
  369   1HB   SER  47          2HB       SER  47 -12.723  -6.401   4.744
  370   2HB   SER  47          3HB       SER  47 -12.190  -6.591   6.424
  371    HG   SER  47           HG       SER  47 -14.797  -6.820   5.321
  372    H    TYR  48           H        TYR  48 -11.477  -3.150   7.215
  373    HA   TYR  48           HA       TYR  48  -9.924  -2.700   4.767
  374   1HB   TYR  48          2HB       TYR  48 -10.116  -0.323   4.790
  375   2HB   TYR  48          3HB       TYR  48 -11.728  -0.998   4.677
  376    HD1  TYR  48           1HD      TYR  48  -9.492   1.150   6.577
  377    HD2  TYR  48           2HD      TYR  48 -13.288  -0.885   6.648
  378    HE1  TYR  48           1HE      TYR  48 -10.263   2.633   8.415
  379    HE2  TYR  48           2HE      TYR  48 -14.062   0.586   8.483
  380    HH   TYR  48           HH       TYR  48 -13.500   2.342   9.908
  381    H    LYS  49           H        LYS  49  -7.940  -1.683   5.071
  382    HA   LYS  49           HA       LYS  49  -6.802  -1.810   7.831
  383   1HB   LYS  49          2HB       LYS  49  -5.883  -3.464   6.279
  384   2HB   LYS  49          3HB       LYS  49  -5.570  -2.217   5.063
  385   1HG   LYS  49          2HG       LYS  49  -3.820  -1.223   6.429
  386   2HG   LYS  49          3HG       LYS  49  -4.227  -2.290   7.796
  387   1HD   LYS  49          2HD       LYS  49  -3.610  -4.256   6.443
  388   2HD   LYS  49          3HD       LYS  49  -3.210  -3.207   5.068
  389   1HE   LYS  49          2HE       LYS  49  -1.316  -2.276   6.161
  390   2HE   LYS  49          3HE       LYS  49  -1.869  -2.798   7.763
  391   1HZ   LYS  49          1HZ       LYS  49  -0.062  -4.186   6.906
  392   2HZ   LYS  49          2HZ       LYS  49  -1.409  -5.071   7.142
  393   3HZ   LYS  49          3HZ       LYS  49  -0.993  -4.633   5.619
  394    H    VAL  50           H        VAL  50  -5.220  -0.120   8.285
  395    HA   VAL  50           HA       VAL  50  -5.598   2.367   6.708
  396    HB   VAL  50           HB       VAL  50  -5.635   2.164   9.748
  397   1HG1  VAL  50          1HG1      VAL  50  -6.373   4.496   9.660
  398   2HG1  VAL  50          2HG1      VAL  50  -4.860   4.353   8.768
  399   3HG1  VAL  50          3HG1      VAL  50  -6.383   4.460   7.874
  400   1HG2  VAL  50          1HG2      VAL  50  -7.738   1.175   8.972
  401   2HG2  VAL  50          2HG2      VAL  50  -8.050   2.787   9.606
  402   3HG2  VAL  50          3HG2      VAL  50  -7.982   2.533   7.847
  403    H    VAL  51           H        VAL  51  -3.765   3.655   6.662
  404    HA   VAL  51           HA       VAL  51  -1.330   2.749   8.113
  405    HB   VAL  51           HB       VAL  51  -1.425   3.732   5.228
  406   1HG1  VAL  51          1HG1      VAL  51   0.620   4.384   6.501
  407   2HG1  VAL  51          2HG1      VAL  51   0.905   2.672   6.886
  408   3HG1  VAL  51          3HG1      VAL  51   0.970   3.244   5.203
  409   1HG2  VAL  51          1HG2      VAL  51  -2.277   1.447   5.277
  410   2HG2  VAL  51          2HG2      VAL  51  -0.653   1.464   4.610
  411   3HG2  VAL  51          3HG2      VAL  51  -0.911   0.930   6.290
  412    H    GLU  52           H        GLU  52  -1.736   4.270   9.707
  413    HA   GLU  52           HA       GLU  52  -2.453   7.021   9.009
  414   1HB   GLU  52          2HB       GLU  52  -1.854   5.785  11.731
  415   2HB   GLU  52          3HB       GLU  52  -2.477   7.419  11.405
  416   1HG   GLU  52          2HG       GLU  52  -4.383   6.283  10.123
  417   2HG   GLU  52          3HG       GLU  52  -3.847   4.762  10.845
  418    H    LEU  53           H        LEU  53  -0.783   7.569   7.720
  419    HA   LEU  53           HA       LEU  53   1.891   6.953   7.876
  420   1HB   LEU  53          2HB       LEU  53   0.475   9.390   6.734
  421   2HB   LEU  53          3HB       LEU  53   2.175   9.058   6.429
  422    HG   LEU  53           HG       LEU  53   0.036   6.994   5.759
  423   1HD1  LEU  53          1HD1      LEU  53   0.164   7.889   3.410
  424   2HD1  LEU  53          2HD1      LEU  53  -0.654   8.946   4.572
  425   3HD1  LEU  53          3HD1      LEU  53   1.004   9.313   4.057
  426   1HD2  LEU  53          1HD2      LEU  53   2.411   6.229   5.789
  427   2HD2  LEU  53          2HD2      LEU  53   1.704   6.185   4.170
  428   3HD2  LEU  53          3HD2      LEU  53   2.806   7.507   4.614
  429    H    ASP  54           H        ASP  54   0.284   9.692   9.538
  430    HA   ASP  54           HA       ASP  54   2.665  11.100  10.186
  431   1HB   ASP  54          2HB       ASP  54   0.376  12.048  10.347
  432   2HB   ASP  54          3HB       ASP  54   0.030  10.987  11.715
  433    H    GLU  55           H        GLU  55   1.336   8.168  11.584
  434    HA   GLU  55           HA       GLU  55   3.120   8.362  13.968
  435   1HB   GLU  55          2HB       GLU  55   0.703   6.643  13.281
  436   2HB   GLU  55          3HB       GLU  55   1.730   6.324  14.674
  437   1HG   GLU  55          2HG       GLU  55   0.290   8.975  14.242
  438   2HG   GLU  55          3HG       GLU  55  -0.374   7.620  15.145
  439    H    LEU  56           H        LEU  56   3.111   7.100  10.805
  440    HA   LEU  56           HA       LEU  56   4.296   4.511  11.378
  441   1HB   LEU  56          2HB       LEU  56   2.948   4.976   9.335
  442   2HB   LEU  56          3HB       LEU  56   4.168   6.139   8.809
  443    HG   LEU  56           HG       LEU  56   5.854   4.311   8.660
  444   1HD1  LEU  56          1HD1      LEU  56   5.081   1.943   8.705
  445   2HD1  LEU  56          2HD1      LEU  56   4.973   2.685  10.299
  446   3HD1  LEU  56          3HD1      LEU  56   3.504   2.476   9.322
  447   1HD2  LEU  56          1HD2      LEU  56   4.920   3.251   6.663
  448   2HD2  LEU  56          2HD2      LEU  56   3.289   3.796   7.111
  449   3HD2  LEU  56          3HD2      LEU  56   4.548   4.982   6.702
  450    H    SER  57           H        SER  57   6.467   3.973  11.395
  451    HA   SER  57           HA       SER  57   8.310   5.763  12.307
  452   1HB   SER  57          2HB       SER  57   8.979   3.184  10.852
  453   2HB   SER  57          3HB       SER  57   9.831   3.918  12.222
  454    HG   SER  57           HG       SER  57   8.482   2.186  12.876
  455    H    ASP  58           H        ASP  58   7.566   5.243   8.911
  456    HA   ASP  58           HA       ASP  58   9.799   7.054   8.149
  457   1HB   ASP  58          2HB       ASP  58  10.360   4.635   7.718
  458   2HB   ASP  58          3HB       ASP  58   8.966   4.549   6.639
  459    H    GLY  59           H        GLY  59   6.964   7.461   8.748
  460   1HA   GLY  59          1HA       GLY  59   5.061   7.319   6.850
  461   2HA   GLY  59          2HA       GLY  59   5.213   8.656   8.000
  462    H    SER  60           H        SER  60   7.231  10.226   7.133
  463    HA   SER  60           HA       SER  60   6.098  11.646   5.040
  464   1HB   SER  60          2HB       SER  60   9.045  11.689   5.781
  465   2HB   SER  60          3HB       SER  60   8.066  13.019   5.132
  466    HG   SER  60           HG       SER  60   8.365  13.178   7.405
  467    H    GLN  61           H        GLN  61   8.751   9.213   4.820
  468    HA   GLN  61           HA       GLN  61   9.135   9.757   1.966
  469   1HB   GLN  61          2HB       GLN  61  10.191   7.482   3.679
  470   2HB   GLN  61          3HB       GLN  61  10.659   7.843   2.011
  471   1HG   GLN  61          2HG       GLN  61  11.342  10.173   2.846
  472   2HG   GLN  61          3HG       GLN  61  11.173   9.535   4.487
  473   1HE2  GLN  61          2HE2      GLN  61  12.480   7.399   4.902
  474   2HE2  GLN  61          1HE2      GLN  61  14.118   7.393   4.205
  475    H    LEU  62           H        LEU  62   7.332   7.429   3.986
  476    HA   LEU  62           HA       LEU  62   6.442   5.742   1.875
  477   1HB   LEU  62          2HB       LEU  62   6.261   5.637   4.543
  478   2HB   LEU  62          3HB       LEU  62   4.724   6.408   4.261
  479    HG   LEU  62           HG       LEU  62   4.389   4.068   4.492
  480   1HD1  LEU  62          1HD1      LEU  62   3.023   5.105   2.690
  481   2HD1  LEU  62          2HD1      LEU  62   4.223   4.560   1.504
  482   3HD1  LEU  62          3HD1      LEU  62   3.302   3.375   2.450
  483   1HD2  LEU  62          1HD2      LEU  62   6.406   3.562   2.279
  484   2HD2  LEU  62          2HD2      LEU  62   6.685   3.319   4.016
  485   3HD2  LEU  62          3HD2      LEU  62   5.471   2.347   3.167
  486    H    GLN  63           H        GLN  63   4.977   8.760   3.255
  487    HA   GLN  63           HA       GLN  63   2.836   8.836   1.394
  488   1HB   GLN  63          2HB       GLN  63   3.076  10.197   3.557
  489   2HB   GLN  63          3HB       GLN  63   4.141  11.286   2.652
  490   1HG   GLN  63          2HG       GLN  63   2.301  11.586   0.952
  491   2HG   GLN  63          3HG       GLN  63   1.258  10.554   1.918
  492   1HE2  GLN  63          2HE2      GLN  63   0.278  12.873   1.242
  493   2HE2  GLN  63          1HE2      GLN  63   0.306  14.064   2.543
  494    H    SER  64           H        SER  64   6.187  10.132   1.214
  495    HA   SER  64           HA       SER  64   5.867  11.507  -1.258
  496   1HB   SER  64          2HB       SER  64   8.361  10.130  -0.176
  497   2HB   SER  64          3HB       SER  64   8.301  11.368  -1.436
  498    HG   SER  64           HG       SER  64   7.536  11.659   1.304
  499    H    ALA  65           H        ALA  65   6.611   8.045  -0.565
  500    HA   ALA  65           HA       ALA  65   6.933   7.278  -3.296
  501   1HB   ALA  65          1HB       ALA  65   6.571   5.021  -2.506
  502   2HB   ALA  65          2HB       ALA  65   7.652   5.876  -1.391
  503   3HB   ALA  65          3HB       ALA  65   5.945   5.598  -0.955
  504    H    LEU  66           H        LEU  66   4.015   7.365  -1.158
  505    HA   LEU  66           HA       LEU  66   2.169   6.430  -3.105
  506   1HB   LEU  66          2HB       LEU  66   1.927   8.128  -0.628
  507   2HB   LEU  66          3HB       LEU  66   0.619   8.228  -1.779
  508    HG   LEU  66           HG       LEU  66   0.122   6.659  -0.016
  509   1HD1  LEU  66          1HD1      LEU  66  -0.863   6.285  -2.256
  510   2HD1  LEU  66          2HD1      LEU  66   0.458   5.162  -2.647
  511   3HD1  LEU  66          3HD1      LEU  66  -0.656   4.792  -1.325
  512   1HD2  LEU  66          1HD2      LEU  66   1.285   4.507   0.190
  513   2HD2  LEU  66          2HD2      LEU  66   2.478   5.021  -1.026
  514   3HD2  LEU  66          3HD2      LEU  66   2.352   5.876   0.525
  515    H    ALA  67           H        ALA  67   3.315   9.807  -2.503
  516    HA   ALA  67           HA       ALA  67   1.683  10.927  -4.532
  517   1HB   ALA  67          1HB       ALA  67   2.835  12.268  -2.760
  518   2HB   ALA  67          2HB       ALA  67   4.398  11.908  -3.522
  519   3HB   ALA  67          3HB       ALA  67   3.192  12.878  -4.388
  520    H    HIS  68           H        HIS  68   5.059   9.794  -4.715
  521    HA   HIS  68           HA       HIS  68   5.534  10.321  -7.442
  522   1HB   HIS  68          2HB       HIS  68   7.402   9.746  -6.187
  523   2HB   HIS  68          3HB       HIS  68   6.580   8.450  -5.333
  524    HD1  HIS  68           1HD      HIS  68   8.473   8.974  -8.636
  525    HD2  HIS  68           2HD      HIS  68   6.526   6.040  -6.322
  526    HE1  HIS  68           1HE      HIS  68   9.088   6.729  -9.670
  527    H    TRP  69           H        TRP  69   4.005   7.472  -5.890
  528    HA   TRP  69           HA       TRP  69   3.888   5.953  -8.322
  529   1HB   TRP  69          2HB       TRP  69   4.200   5.040  -6.089
  530   2HB   TRP  69          3HB       TRP  69   2.639   5.639  -5.566
  531    HD1  TRP  69           HD1      TRP  69   2.830   3.773  -8.906
  532    HE1  TRP  69           HE1      TRP  69   1.697   1.528  -8.682
  533    HE3  TRP  69           HE3      TRP  69   2.175   3.727  -3.829
  534    HZ2  TRP  69           HZ2      TRP  69   0.488  -0.078  -6.565
  535    HZ3  TRP  69           HZ3      TRP  69   1.032   1.810  -2.732
  536    HH2  TRP  69           HH2      TRP  69   0.171  -0.076  -4.097
  537    H    THR  70           H        THR  70   1.347   7.548  -6.302
  538    HA   THR  70           HA       THR  70  -0.701   6.665  -8.201
  539    HB   THR  70           HB       THR  70  -2.274   7.411  -6.540
  540    HG1  THR  70           1HG      THR  70  -0.075   8.408  -5.032
  541   1HG2  THR  70          1HG2      THR  70   0.023   6.100  -5.018
  542   2HG2  THR  70          2HG2      THR  70  -1.712   5.997  -4.674
  543   3HG2  THR  70          3HG2      THR  70  -1.046   5.233  -6.130
  544    H    GLY  71           H        GLY  71   1.119   9.597  -7.611
  545   1HA   GLY  71          1HA       GLY  71   1.037  11.645  -8.624
  546   2HA   GLY  71          2HA       GLY  71  -0.309  11.110  -9.644
  547    H    ARG  72           H        ARG  72  -1.114  10.379  -6.398
  548    HA   ARG  72           HA       ARG  72  -2.256  13.033  -5.786
  549   1HB   ARG  72          2HB       ARG  72  -3.883  11.723  -7.279
  550   2HB   ARG  72          3HB       ARG  72  -3.965  10.520  -5.991
  551   1HG   ARG  72          2HG       ARG  72  -4.458  12.812  -4.558
  552   2HG   ARG  72          3HG       ARG  72  -5.059  13.332  -6.118
  553   1HD   ARG  72          2HD       ARG  72  -6.787  11.735  -6.132
  554   2HD   ARG  72          3HD       ARG  72  -5.943  10.641  -5.034
  555    HE   ARG  72           HE       ARG  72  -7.692  12.822  -4.311
  556   1HH1  ARG  72          1HH2      ARG  72  -4.803  11.071  -3.163
  557   2HH1  ARG  72          2HH2      ARG  72  -5.208  11.243  -1.499
  558   1HH2  ARG  72          1HH1      ARG  72  -8.106  13.141  -2.010
  559   2HH2  ARG  72          2HH1      ARG  72  -7.158  12.218  -0.870
  560    H    GLY  73           H        GLY  73  -0.172  12.205  -4.433
  561   1HA   GLY  73          1HA       GLY  73  -0.694  10.255  -2.361
  562   2HA   GLY  73          2HA       GLY  73   0.717  11.306  -2.493
  563    H    THR  74           H        THR  74  -2.227  13.148  -2.534
  564    HA   THR  74           HA       THR  74  -1.813  14.264   0.087
  565    HB   THR  74           HB       THR  74  -4.272  15.070  -0.559
  566    HG1  THR  74           1HG      THR  74  -4.621  15.029  -2.765
  567   1HG2  THR  74          1HG2      THR  74  -2.273  16.510  -0.501
  568   2HG2  THR  74          2HG2      THR  74  -1.785  15.933  -2.112
  569   3HG2  THR  74          3HG2      THR  74  -3.275  16.887  -1.912
  570    H    VAL  75           H        VAL  75  -3.067  13.831   1.966
  571    HA   VAL  75           HA       VAL  75  -4.192  11.108   1.986
  572    HB   VAL  75           HB       VAL  75  -4.253  11.445   4.463
  573   1HG1  VAL  75          1HG1      VAL  75  -1.846  11.010   4.706
  574   2HG1  VAL  75          2HG1      VAL  75  -2.510  10.162   3.304
  575   3HG1  VAL  75          3HG1      VAL  75  -1.549  11.637   3.072
  576   1HG2  VAL  75          1HG2      VAL  75  -2.455  13.858   3.946
  577   2HG2  VAL  75          2HG2      VAL  75  -4.138  13.952   4.517
  578   3HG2  VAL  75          3HG2      VAL  75  -2.919  13.158   5.508
  579    HA   PRO  76           HA       PRO  76  -5.677   9.888   3.130
  580   1HB   PRO  76          2HB       PRO  76  -8.063   8.689   2.607
  581   2HB   PRO  76          3HB       PRO  76  -7.733   9.533   4.148
  582   1HG   PRO  76          2HG       PRO  76  -9.179  10.594   1.704
  583   2HG   PRO  76          3HG       PRO  76  -9.677  10.705   3.421
  584   1HD   PRO  76          2HD       PRO  76  -8.397  12.745   2.093
  585   2HD   PRO  76          3HD       PRO  76  -8.173  12.452   3.841
  586    H    ASN  77           H        ASN  77  -5.427   8.113   1.644
  587    HA   ASN  77           HA       ASN  77  -6.160   8.487  -1.214
  588   1HB   ASN  77          2HB       ASN  77  -3.790   9.171  -0.940
  589   2HB   ASN  77          3HB       ASN  77  -3.425   7.657  -0.129
  590   1HD2  ASN  77          2HD2      ASN  77  -2.984   9.165  -3.028
  591   2HD2  ASN  77          1HD2      ASN  77  -2.851   7.760  -4.026
  592    H    VAL  78           H        VAL  78  -7.115   6.562  -1.937
  593    HA   VAL  78           HA       VAL  78  -7.158   4.329   0.047
  594    HB   VAL  78           HB       VAL  78  -9.511   5.462  -1.511
  595   1HG1  VAL  78          1HG1      VAL  78  -9.839   3.080  -1.046
  596   2HG1  VAL  78          2HG1      VAL  78  -9.357   3.305   0.650
  597   3HG1  VAL  78          3HG1      VAL  78 -10.863   4.019   0.038
  598   1HG2  VAL  78          1HG2      VAL  78 -10.357   6.229   0.696
  599   2HG2  VAL  78          2HG2      VAL  78  -8.828   5.731   1.452
  600   3HG2  VAL  78          3HG2      VAL  78  -8.864   7.053   0.268
  601    H    PHE  79           H        PHE  79  -7.204   2.313  -0.662
  602    HA   PHE  79           HA       PHE  79  -7.220   1.722  -3.577
  603   1HB   PHE  79          2HB       PHE  79  -5.528   0.515  -1.340
  604   2HB   PHE  79          3HB       PHE  79  -5.795  -0.286  -2.870
  605    HD1  PHE  79           1HD      PHE  79  -4.140  -0.120  -4.484
  606    HD2  PHE  79           2HD      PHE  79  -4.533   3.051  -1.582
  607    HE1  PHE  79           1HE      PHE  79  -2.139   0.994  -5.422
  608    HE2  PHE  79           2HE      PHE  79  -2.526   4.142  -2.516
  609    HZ   PHE  79           HZ       PHE  79  -1.316   3.122  -4.433
  610    H    ILE  80           H        ILE  80  -8.399  -0.146  -4.093
  611    HA   ILE  80           HA       ILE  80  -9.648  -1.733  -1.951
  612    HB   ILE  80           HB       ILE  80 -11.230  -0.417  -4.204
  613   1HG1  ILE  80          2HG1      ILE  80 -11.504  -0.109  -1.186
  614   2HG1  ILE  80          3HG1      ILE  80 -10.814   1.096  -2.265
  615   1HG2  ILE  80          1HG2      ILE  80 -11.996  -2.693  -3.914
  616   2HG2  ILE  80          2HG2      ILE  80 -12.101  -2.492  -2.153
  617   3HG2  ILE  80          3HG2      ILE  80 -13.203  -1.622  -3.244
  618   1HD1  ILE  80          1HD1      ILE  80 -13.041   1.234  -3.448
  619   2HD1  ILE  80          2HD1      ILE  80 -13.715   0.238  -2.137
  620   3HD1  ILE  80          3HD1      ILE  80 -12.999   1.811  -1.770
  621    H    GLY  81           H        GLY  81  -9.701  -3.874  -2.594
  622   1HA   GLY  81          1HA       GLY  81  -9.177  -5.750  -3.788
  623   2HA   GLY  81          2HA       GLY  81  -9.689  -4.876  -5.245
  624    H    GLY  82           H        GLY  82  -7.005  -3.763  -3.185
  625   1HA   GLY  82          1HA       GLY  82  -4.768  -3.558  -3.553
  626   2HA   GLY  82          2HA       GLY  82  -4.857  -4.918  -4.680
  627    H    LYS  83           H        LYS  83  -6.916  -2.109  -5.358
  628    HA   LYS  83           HA       LYS  83  -4.970  -1.125  -7.396
  629   1HB   LYS  83          2HB       LYS  83  -6.775  -2.576  -8.356
  630   2HB   LYS  83          3HB       LYS  83  -7.989  -1.473  -7.689
  631   1HG   LYS  83          2HG       LYS  83  -7.093   0.366  -9.090
  632   2HG   LYS  83          3HG       LYS  83  -5.830  -0.714  -9.713
  633   1HD   LYS  83          2HD       LYS  83  -7.574  -2.179 -10.697
  634   2HD   LYS  83          3HD       LYS  83  -8.839  -1.104 -10.057
  635   1HE   LYS  83          2HE       LYS  83  -7.915   0.776 -11.393
  636   2HE   LYS  83          3HE       LYS  83  -6.649  -0.286 -12.023
  637   1HZ   LYS  83          1HZ       LYS  83  -8.481  -0.078 -13.575
  638   2HZ   LYS  83          2HZ       LYS  83  -8.382  -1.622 -13.072
  639   3HZ   LYS  83          3HZ       LYS  83  -9.554  -0.642 -12.489
  640    H    GLN  84           H        GLN  84  -4.831   1.093  -7.527
  641    HA   GLN  84           HA       GLN  84  -5.691   2.692  -5.319
  642   1HB   GLN  84          2HB       GLN  84  -3.691   2.893  -7.059
  643   2HB   GLN  84          3HB       GLN  84  -4.843   3.805  -8.021
  644   1HG   GLN  84          2HG       GLN  84  -3.920   4.425  -5.183
  645   2HG   GLN  84          3HG       GLN  84  -3.343   5.203  -6.651
  646   1HE2  GLN  84          2HE2      GLN  84  -4.905   6.091  -4.079
  647   2HE2  GLN  84          1HE2      GLN  84  -6.176   7.084  -4.731
  648    H    ILE  85           H        ILE  85  -7.589   3.905  -5.095
  649    HA   ILE  85           HA       ILE  85  -9.520   3.829  -7.389
  650    HB   ILE  85           HB       ILE  85 -10.036   4.092  -4.406
  651   1HG1  ILE  85          2HG1      ILE  85  -9.318   1.836  -4.862
  652   2HG1  ILE  85          3HG1      ILE  85 -11.032   1.875  -4.525
  653   1HG2  ILE  85          1HG2      ILE  85 -12.431   3.735  -5.028
  654   2HG2  ILE  85          2HG2      ILE  85 -11.775   5.259  -5.628
  655   3HG2  ILE  85          3HG2      ILE  85 -11.981   3.895  -6.743
  656   1HD1  ILE  85          1HD1      ILE  85 -11.549   1.584  -6.929
  657   2HD1  ILE  85          2HD1      ILE  85  -9.808   1.580  -7.303
  658   3HD1  ILE  85          3HD1      ILE  85 -10.505   0.288  -6.326
  659    H    GLY  86           H        GLY  86  -8.324   5.925  -4.686
  660   1HA   GLY  86          1HA       GLY  86  -7.911   8.274  -6.036
  661   2HA   GLY  86          2HA       GLY  86  -9.663   8.258  -5.773
  662    H    GLY  87           H        GLY  87 -10.174   9.403  -3.995
  663   1HA   GLY  87          1HA       GLY  87  -8.956   8.743  -1.410
  664   2HA   GLY  87          2HA       GLY  87  -8.741  10.407  -1.957
  665    H    CYS  88           H        CYS  88 -10.052  11.156  -0.228
  666    HA   CYS  88           HA       CYS  88 -12.445  10.181   0.700
  667   1HB   CYS  88          2HB       CYS  88 -12.844  12.642   1.386
  668   2HB   CYS  88          3HB       CYS  88 -11.400  11.836   1.998
  669    HG   CYS  88           HG       CYS  88 -10.941  14.399   1.346
  670    H    ASP  89           H        ASP  89 -12.218  12.859  -1.674
  671    HA   ASP  89           HA       ASP  89 -14.996  13.100  -2.053
  672   1HB   ASP  89          2HB       ASP  89 -13.416  14.815  -2.779
  673   2HB   ASP  89          3HB       ASP  89 -12.705  13.710  -3.960
  674    H    THR  90           H        THR  90 -12.640  10.993  -3.735
  675    HA   THR  90           HA       THR  90 -14.392  10.077  -5.754
  676    HB   THR  90           HB       THR  90 -12.258   8.315  -4.545
  677    HG1  THR  90           1HG      THR  90 -11.720  10.659  -6.053
  678   1HG2  THR  90          1HG2      THR  90 -11.790   7.839  -6.912
  679   2HG2  THR  90          2HG2      THR  90 -13.503   7.573  -6.529
  680   3HG2  THR  90          3HG2      THR  90 -13.013   9.034  -7.407
  681    H    VAL  91           H        VAL  91 -13.621   8.688  -2.460
  682    HA   VAL  91           HA       VAL  91 -15.418   6.503  -2.996
  683    HB   VAL  91           HB       VAL  91 -15.119   5.848  -0.665
  684   1HG1  VAL  91          1HG1      VAL  91 -13.547   5.137  -2.447
  685   2HG1  VAL  91          2HG1      VAL  91 -12.507   6.532  -2.089
  686   3HG1  VAL  91          3HG1      VAL  91 -12.757   5.266  -0.871
  687   1HG2  VAL  91          1HG2      VAL  91 -14.813   8.110   0.390
  688   2HG2  VAL  91          2HG2      VAL  91 -13.570   6.926   0.820
  689   3HG2  VAL  91          3HG2      VAL  91 -13.211   8.195  -0.364
  690    H    VAL  92           H        VAL  92 -15.971   9.708  -1.333
  691    HA   VAL  92           HA       VAL  92 -18.571   8.763  -0.455
  692    HB   VAL  92           HB       VAL  92 -19.149  11.075  -0.005
  693   1HG1  VAL  92          1HG1      VAL  92 -17.892   9.866   1.683
  694   2HG1  VAL  92          2HG1      VAL  92 -16.346  10.369   0.957
  695   3HG1  VAL  92          3HG1      VAL  92 -17.429  11.567   1.690
  696   1HG2  VAL  92          1HG2      VAL  92 -18.076  12.282  -1.853
  697   2HG2  VAL  92          2HG2      VAL  92 -17.555  12.928  -0.295
  698   3HG2  VAL  92          3HG2      VAL  92 -16.484  11.853  -1.206
  699    H    GLU  93           H        GLU  93 -17.361  10.305  -3.495
  700    HA   GLU  93           HA       GLU  93 -19.951  10.755  -4.635
  701   1HB   GLU  93          2HB       GLU  93 -17.915  11.795  -5.500
  702   2HB   GLU  93          3HB       GLU  93 -17.237  10.216  -5.936
  703   1HG   GLU  93          2HG       GLU  93 -19.038   9.848  -7.563
  704   2HG   GLU  93          3HG       GLU  93 -19.826  11.351  -7.076
  705    H    LYS  94           H        LYS  94 -17.632   8.003  -4.949
  706    HA   LYS  94           HA       LYS  94 -19.348   6.417  -6.581
  707   1HB   LYS  94          2HB       LYS  94 -17.067   5.665  -4.710
  708   2HB   LYS  94          3HB       LYS  94 -17.890   4.510  -5.773
  709   1HG   LYS  94          2HG       LYS  94 -17.215   5.754  -7.760
  710   2HG   LYS  94          3HG       LYS  94 -16.510   7.028  -6.785
  711   1HD   LYS  94          2HD       LYS  94 -14.654   5.745  -7.462
  712   2HD   LYS  94          3HD       LYS  94 -14.934   5.302  -5.786
  713   1HE   LYS  94          2HE       LYS  94 -14.522   3.245  -6.802
  714   2HE   LYS  94          3HE       LYS  94 -16.286   3.279  -6.736
  715   1HZ   LYS  94          1HZ       LYS  94 -16.268   3.996  -9.090
  716   2HZ   LYS  94          2HZ       LYS  94 -14.631   3.952  -9.116
  717   3HZ   LYS  94          3HZ       LYS  94 -15.479   2.577  -8.916
  718    H    HIS  95           H        HIS  95 -19.190   6.741  -2.990
  719    HA   HIS  95           HA       HIS  95 -21.028   4.592  -2.519
  720   1HB   HIS  95          2HB       HIS  95 -19.617   5.583  -0.746
  721   2HB   HIS  95          3HB       HIS  95 -20.504   7.101  -0.872
  722    HD1  HIS  95           1HD      HIS  95 -21.722   3.398  -0.385
  723    HD2  HIS  95           2HD      HIS  95 -22.166   7.312   1.101
  724    HE1  HIS  95           1HE      HIS  95 -23.477   3.271   1.443
  725    H    GLN  96           H        GLN  96 -21.539   8.146  -2.981
  726    HA   GLN  96           HA       GLN  96 -24.328   8.081  -2.577
  727   1HB   GLN  96          2HB       GLN  96 -22.507   9.965  -4.108
  728   2HB   GLN  96          3HB       GLN  96 -24.251  10.233  -4.021
  729   1HG   GLN  96          2HG       GLN  96 -24.234  10.429  -1.635
  730   2HG   GLN  96          3HG       GLN  96 -22.573   9.854  -1.514
  731   1HE2  GLN  96          2HE2      GLN  96 -20.849  11.198  -2.323
  732   2HE2  GLN  96          1HE2      GLN  96 -21.038  12.950  -2.415
  733    H    ARG  97           H        ARG  97 -22.479   7.503  -5.625
  734    HA   ARG  97           HA       ARG  97 -25.059   7.014  -6.993
  735   1HB   ARG  97          2HB       ARG  97 -23.931   6.973  -9.044
  736   2HB   ARG  97          3HB       ARG  97 -23.400   8.380  -8.135
  737   1HG   ARG  97          2HG       ARG  97 -21.254   7.297  -7.634
  738   2HG   ARG  97          3HG       ARG  97 -21.796   5.799  -8.409
  739   1HD   ARG  97          2HD       ARG  97 -22.040   6.987 -10.564
  740   2HD   ARG  97          3HD       ARG  97 -21.530   8.496  -9.803
  741    HE   ARG  97           HE       ARG  97 -19.864   6.041 -10.239
  742   1HH1  ARG  97          1HH2      ARG  97 -19.998   9.568 -10.103
  743   2HH1  ARG  97          2HH2      ARG  97 -18.280   9.773  -9.954
  744   1HH2  ARG  97          1HH1      ARG  97 -17.639   6.259 -10.193
  745   2HH2  ARG  97          2HH1      ARG  97 -16.901   7.840 -10.271
  746    H    ASN  98           H        ASN  98 -23.700   5.166  -4.866
  747    HA   ASN  98           HA       ASN  98 -23.534   3.006  -4.409
  748   1HB   ASN  98          2HB       ASN  98 -25.979   3.229  -4.656
  749   2HB   ASN  98          3HB       ASN  98 -25.845   2.698  -6.338
  750   1HD2  ASN  98          2HD2      ASN  98 -27.078   0.746  -6.020
  751   2HD2  ASN  98          1HD2      ASN  98 -26.474  -0.577  -5.058
  752    H    GLU  99           H        GLU  99 -21.572   3.649  -5.954
  753    HA   GLU  99           HA       GLU  99 -21.103   1.346  -7.806
  754   1HB   GLU  99          2HB       GLU  99 -21.129   3.615  -8.802
  755   2HB   GLU  99          3HB       GLU  99 -19.851   4.120  -7.691
  756   1HG   GLU  99          2HG       GLU  99 -18.334   2.416  -8.722
  757   2HG   GLU  99          3HG       GLU  99 -19.625   1.983  -9.856
  758    H    LEU 100           H        LEU 100 -20.044   3.146  -4.936
  759    HA   LEU 100           HA       LEU 100 -17.508   1.841  -4.612
  760   1HB   LEU 100          2HB       LEU 100 -18.244   3.929  -3.377
  761   2HB   LEU 100          3HB       LEU 100 -19.376   2.937  -2.458
  762    HG   LEU 100           HG       LEU 100 -17.394   1.616  -1.594
  763   1HD1  LEU 100          1HD1      LEU 100 -15.820   3.827  -2.994
  764   2HD1  LEU 100          2HD1      LEU 100 -15.157   2.730  -1.769
  765   3HD1  LEU 100          3HD1      LEU 100 -15.717   2.076  -3.309
  766   1HD2  LEU 100          1HD2      LEU 100 -16.676   3.338   0.004
  767   2HD2  LEU 100          2HD2      LEU 100 -17.365   4.605  -1.034
  768   3HD2  LEU 100          3HD2      LEU 100 -18.422   3.404  -0.260
  769    H    LEU 101           H        LEU 101 -20.849   1.001  -3.491
  770    HA   LEU 101           HA       LEU 101 -19.970  -1.147  -1.881
  771   1HB   LEU 101          2HB       LEU 101 -22.393   0.094  -2.246
  772   2HB   LEU 101          3HB       LEU 101 -22.688  -1.433  -3.051
  773    HG   LEU 101           HG       LEU 101 -23.431  -1.598  -0.823
  774   1HD1  LEU 101          1HD1      LEU 101 -20.802  -3.138  -0.916
  775   2HD1  LEU 101          2HD1      LEU 101 -22.226  -3.514   0.055
  776   3HD1  LEU 101          3HD1      LEU 101 -22.317  -3.634  -1.711
  777   1HD2  LEU 101          1HD2      LEU 101 -20.657  -0.864   0.194
  778   2HD2  LEU 101          2HD2      LEU 101 -22.076   0.208   0.180
  779   3HD2  LEU 101          3HD2      LEU 101 -22.092  -1.268   1.155
  780    HA   PRO 102           HA       PRO 102 -20.602  -4.019  -5.798
  781   1HB   PRO 102          2HB       PRO 102 -19.846  -1.863  -7.790
  782   2HB   PRO 102          3HB       PRO 102 -20.755  -3.382  -8.070
  783   1HG   PRO 102          2HG       PRO 102 -22.079  -1.038  -7.789
  784   2HG   PRO 102          3HG       PRO 102 -22.687  -2.513  -6.971
  785   1HD   PRO 102          2HD       PRO 102 -21.154  -0.213  -5.785
  786   2HD   PRO 102          3HD       PRO 102 -22.503  -1.147  -5.111
  787    H    LEU 103           H        LEU 103 -18.229  -1.264  -5.825
  788    HA   LEU 103           HA       LEU 103 -16.020  -2.839  -6.685
  789   1HB   LEU 103          2HB       LEU 103 -16.505  -0.111  -6.038
  790   2HB   LEU 103          3HB       LEU 103 -15.306  -0.608  -4.877
  791    HG   LEU 103           HG       LEU 103 -14.264   0.378  -6.808
  792   1HD1  LEU 103          1HD1      LEU 103 -13.719  -2.621  -6.850
  793   2HD1  LEU 103          2HD1      LEU 103 -12.654  -1.338  -7.455
  794   3HD1  LEU 103          3HD1      LEU 103 -13.016  -1.438  -5.729
  795   1HD2  LEU 103          1HD2      LEU 103 -16.056  -0.145  -8.462
  796   2HD2  LEU 103          2HD2      LEU 103 -14.420  -0.480  -9.061
  797   3HD2  LEU 103          3HD2      LEU 103 -15.466  -1.816  -8.549
  798    H    LEU 104           H        LEU 104 -17.197  -1.995  -3.426
  799    HA   LEU 104           HA       LEU 104 -15.107  -3.322  -1.976
  800   1HB   LEU 104          2HB       LEU 104 -17.973  -2.565  -1.266
  801   2HB   LEU 104          3HB       LEU 104 -16.849  -3.276  -0.121
  802    HG   LEU 104           HG       LEU 104 -16.226  -0.673  -1.577
  803   1HD1  LEU 104          1HD1      LEU 104 -18.273  -0.341  -0.296
  804   2HD1  LEU 104          2HD1      LEU 104 -17.546  -1.089   1.136
  805   3HD1  LEU 104          3HD1      LEU 104 -16.925   0.459   0.525
  806   1HD2  LEU 104          1HD2      LEU 104 -14.264  -1.803  -0.627
  807   2HD2  LEU 104          2HD2      LEU 104 -14.647  -0.351   0.298
  808   3HD2  LEU 104          3HD2      LEU 104 -15.087  -1.948   0.940
  809    H    GLN 105           H        GLN 105 -18.345  -4.404  -3.111
  810    HA   GLN 105           HA       GLN 105 -18.171  -7.003  -1.967
  811   1HB   GLN 105          2HB       GLN 105 -19.704  -5.843  -4.326
  812   2HB   GLN 105          3HB       GLN 105 -19.855  -7.544  -3.880
  813   1HG   GLN 105          2HG       GLN 105 -20.346  -5.314  -1.889
  814   2HG   GLN 105          3HG       GLN 105 -21.600  -5.916  -2.971
  815   1HE2  GLN 105          2HE2      GLN 105 -22.204  -8.241  -2.831
  816   2HE2  GLN 105          1HE2      GLN 105 -21.972  -9.095  -1.331
  817    H    ASP 106           H        ASP 106 -17.044  -5.689  -5.089
  818    HA   ASP 106           HA       ASP 106 -16.209  -8.181  -6.234
  819   1HB   ASP 106          2HB       ASP 106 -16.540  -6.290  -7.604
  820   2HB   ASP 106          3HB       ASP 106 -15.386  -5.320  -6.699
  821    H    ALA 107           H        ALA 107 -14.544  -5.794  -4.132
  822    HA   ALA 107           HA       ALA 107 -12.120  -7.386  -3.912
  823   1HB   ALA 107          1HB       ALA 107 -11.547  -5.774  -2.144
  824   2HB   ALA 107          2HB       ALA 107 -12.153  -4.947  -3.586
  825   3HB   ALA 107          3HB       ALA 107 -13.203  -5.132  -2.161
  826    H    ALA 108           H        ALA 108 -15.186  -8.112  -2.852
  827    HA   ALA 108           HA       ALA 108 -16.212  -9.126  -1.185
  828   1HB   ALA 108          1HB       ALA 108 -13.634 -10.709  -0.903
  829   2HB   ALA 108          2HB       ALA 108 -15.251 -11.206  -0.364
  830   3HB   ALA 108          3HB       ALA 108 -14.921 -11.017  -2.094
  831    H    ALA 109           H        ALA 109 -14.856  -6.651  -0.458
  832    HA   ALA 109           HA       ALA 109 -13.677  -6.900   2.179
  833   1HB   ALA 109          1HB       ALA 109 -13.169  -5.050   0.573
  834   2HB   ALA 109          2HB       ALA 109 -14.838  -4.473   0.723
  835   3HB   ALA 109          3HB       ALA 109 -13.763  -4.446   2.135
  836    H    THR 110           H        THR 110 -16.939  -6.028   0.898
  837    HA   THR 110           HA       THR 110 -17.975  -5.443   3.549
  838    HB   THR 110           HB       THR 110 -20.123  -5.281   1.970
  839    HG1  THR 110           1HG      THR 110 -19.413  -6.103   0.096
  840   1HG2  THR 110          1HG2      THR 110 -19.135  -3.326   2.957
  841   2HG2  THR 110          2HG2      THR 110 -17.719  -3.429   1.896
  842   3HG2  THR 110          3HG2      THR 110 -19.314  -3.020   1.217
  843    H    ALA 111           H        ALA 111 -17.931  -8.221   1.409
  844    HA   ALA 111           HA       ALA 111 -18.908 -10.269   1.457
  845   1HB   ALA 111          1HB       ALA 111 -18.357  -9.984   4.435
  846   2HB   ALA 111          2HB       ALA 111 -18.508 -11.498   3.515
  847   3HB   ALA 111          3HB       ALA 111 -17.153 -10.403   3.193
  848    H    LYS 112           H        LYS 112 -20.924  -8.239   1.357
  849    HA   LYS 112           HA       LYS 112 -23.132  -9.132   3.060
  850   1HB   LYS 112          2HB       LYS 112 -23.172  -7.571   0.439
  851   2HB   LYS 112          3HB       LYS 112 -24.565  -7.898   1.469
  852   1HG   LYS 112          2HG       LYS 112 -23.389  -6.693   3.360
  853   2HG   LYS 112          3HG       LYS 112 -22.103  -6.276   2.226
  854   1HD   LYS 112          2HD       LYS 112 -23.528  -4.380   2.368
  855   2HD   LYS 112          3HD       LYS 112 -23.824  -5.119   0.784
  856   1HE   LYS 112          2HE       LYS 112 -25.868  -6.216   1.682
  857   2HE   LYS 112          3HE       LYS 112 -25.546  -5.528   3.277
  858   1HZ   LYS 112          1HZ       LYS 112 -26.148  -3.960   0.834
  859   2HZ   LYS 112          2HZ       LYS 112 -27.174  -4.232   2.067
  860   3HZ   LYS 112          3HZ       LYS 112 -25.848  -3.321   2.314
  861    H    ASN 113           H        ASN 113 -21.417 -10.571   0.536
  862    HA   ASN 113           HA       ASN 113 -23.426 -12.691   0.301
  863   1HB   ASN 113          2HB       ASN 113 -23.552 -11.355  -1.825
  864   2HB   ASN 113          3HB       ASN 113 -21.815 -11.595  -2.053
  865   1HD2  ASN 113          2HD2      ASN 113 -21.299 -13.298  -3.372
  866   2HD2  ASN 113          1HD2      ASN 113 -22.320 -14.703  -3.648
  867    HA   PRO 114           HA       PRO 114 -19.686 -14.780   1.707
  868   1HB   PRO 114          2HB       PRO 114 -20.844 -17.082   0.112
  869   2HB   PRO 114          3HB       PRO 114 -20.094 -17.112   1.741
  870   1HG   PRO 114          2HG       PRO 114 -22.787 -17.085   1.497
  871   2HG   PRO 114          3HG       PRO 114 -21.993 -16.033   2.714
  872   1HD   PRO 114          2HD       PRO 114 -23.092 -15.280   0.009
  873   2HD   PRO 114          3HD       PRO 114 -23.149 -14.382   1.561
  874    H    ALA 115           H        ALA 115 -20.323 -14.349  -1.675
  875    HA   ALA 115           HA       ALA 115 -17.463 -14.758  -2.310
  876   1HB   ALA 115          1HB       ALA 115 -18.084 -15.687  -4.512
  877   2HB   ALA 115          2HB       ALA 115 -18.680 -16.728  -3.207
  878   3HB   ALA 115          3HB       ALA 115 -19.802 -15.646  -4.067
  879    H    GLN 116           H        GLN 116 -16.908 -13.476  -4.286
  880    HA   GLN 116           HA       GLN 116 -17.602 -10.802  -3.767
  881   1HB   GLN 116          2HB       GLN 116 -16.114 -10.206  -5.474
  882   2HB   GLN 116          3HB       GLN 116 -15.410 -11.547  -4.610
  883   1HG   GLN 116          2HG       GLN 116 -15.520 -12.972  -6.450
  884   2HG   GLN 116          3HG       GLN 116 -16.947 -12.194  -7.131
  885   1HE2  GLN 116          2HE2      GLN 116 -16.758 -10.231  -8.354
  886   2HE2  GLN 116          1HE2      GLN 116 -15.209  -9.476  -8.715
  887    H    LEU 117           H        LEU 117 -18.131  -9.196  -5.438
  888    HA   LEU 117           HA       LEU 117 -20.720  -9.257  -6.482
  889   1HB   LEU 117          2HB       LEU 117 -19.116  -7.277  -6.170
  890   2HB   LEU 117          3HB       LEU 117 -18.341  -7.755  -7.661
  891    HG   LEU 117           HG       LEU 117 -19.839  -5.852  -7.883
  892   1HD1  LEU 117          1HD1      LEU 117 -20.976  -6.427  -9.883
  893   2HD1  LEU 117          2HD1      LEU 117 -19.490  -7.387  -9.833
  894   3HD1  LEU 117          3HD1      LEU 117 -21.058  -8.139  -9.454
  895   1HD2  LEU 117          1HD2      LEU 117 -21.497  -6.490  -6.147
  896   2HD2  LEU 117          2HD2      LEU 117 -22.242  -5.995  -7.673
  897   3HD2  LEU 117          3HD2      LEU 117 -22.161  -7.715  -7.252
  Start of MODEL   20
    1   1H    MET   1           H1       MET   1  17.758  10.104   6.193
    2   2H    MET   1           H2       MET   1  19.004  11.173   6.228
    3   3H    MET   1           H3       MET   1  17.640  11.520   5.388
    4    HA   MET   1           HA       MET   1  19.368  10.910   3.879
    5   1HB   MET   1          2HB       MET   1  20.630   9.504   5.463
    6   2HB   MET   1          3HB       MET   1  19.389   8.253   5.392
    7   1HG   MET   1          2HG       MET   1  20.895   9.226   2.933
    8   2HG   MET   1          3HG       MET   1  21.522   7.969   3.991
    9   1HE   MET   1          1HE       MET   1  20.995   7.778   0.770
   10   2HE   MET   1          2HE       MET   1  21.814   6.528   1.737
   11   3HE   MET   1          3HE       MET   1  20.454   6.088   0.681
   12    H    ALA   2           H        ALA   2  18.537  10.406   1.895
   13    HA   ALA   2           HA       ALA   2  16.614   8.265   1.563
   14   1HB   ALA   2          1HB       ALA   2  14.991   9.663   0.308
   15   2HB   ALA   2          2HB       ALA   2  15.082  10.179   2.001
   16   3HB   ALA   2          3HB       ALA   2  15.903  11.126   0.736
   17    H    SER   3           H        SER   3  16.321   7.902  -0.834
   18    HA   SER   3           HA       SER   3  18.179   9.049  -2.732
   19   1HB   SER   3          2HB       SER   3  19.380   6.889  -3.093
   20   2HB   SER   3          3HB       SER   3  19.693   7.539  -1.479
   21    HG   SER   3           HG       SER   3  19.208   5.368  -1.297
   22    H    LYS   4           H        LYS   4  17.863   7.683  -4.878
   23    HA   LYS   4           HA       LYS   4  15.091   7.117  -5.324
   24   1HB   LYS   4          2HB       LYS   4  15.763   6.199  -7.465
   25   2HB   LYS   4          3HB       LYS   4  16.561   7.737  -7.148
   26   1HG   LYS   4          2HG       LYS   4  18.659   6.500  -6.533
   27   2HG   LYS   4          3HG       LYS   4  17.831   4.971  -6.855
   28   1HD   LYS   4          2HD       LYS   4  19.200   5.506  -8.745
   29   2HD   LYS   4          3HD       LYS   4  17.502   5.642  -9.223
   30   1HE   LYS   4          2HE       LYS   4  17.633   8.115  -8.978
   31   2HE   LYS   4          3HE       LYS   4  19.316   7.978  -8.449
   32   1HZ   LYS   4          1HZ       LYS   4  19.858   7.076 -10.634
   33   2HZ   LYS   4          2HZ       LYS   4  18.302   7.198 -11.123
   34   3HZ   LYS   4          3HZ       LYS   4  19.163   8.539 -10.789
   35    H    GLN   5           H        GLN   5  17.769   5.059  -4.185
   36    HA   GLN   5           HA       GLN   5  16.368   2.567  -4.438
   37   1HB   GLN   5          2HB       GLN   5  18.759   2.631  -4.196
   38   2HB   GLN   5          3HB       GLN   5  18.674   3.482  -2.661
   39   1HG   GLN   5          2HG       GLN   5  17.381   0.751  -2.913
   40   2HG   GLN   5          3HG       GLN   5  19.128   0.877  -2.791
   41   1HE2  GLN   5          2HE2      GLN   5  16.113   1.249  -0.989
   42   2HE2  GLN   5          1HE2      GLN   5  16.844   1.627   0.565
   43    H    GLU   6           H        GLU   6  16.588   5.024  -1.770
   44    HA   GLU   6           HA       GLU   6  14.998   3.401  -0.003
   45   1HB   GLU   6          2HB       GLU   6  15.965   6.253   0.004
   46   2HB   GLU   6          3HB       GLU   6  14.765   5.738   1.179
   47   1HG   GLU   6          2HG       GLU   6  17.398   4.301   0.719
   48   2HG   GLU   6          3HG       GLU   6  17.156   5.533   1.968
   49    H    LEU   7           H        LEU   7  14.230   5.978  -2.348
   50    HA   LEU   7           HA       LEU   7  11.472   6.228  -1.686
   51   1HB   LEU   7          2HB       LEU   7  12.789   7.810  -3.115
   52   2HB   LEU   7          3HB       LEU   7  12.877   6.571  -4.368
   53    HG   LEU   7           HG       LEU   7  10.372   6.617  -4.564
   54   1HD1  LEU   7          1HD1      LEU   7  10.619   8.946  -2.601
   55   2HD1  LEU   7          2HD1      LEU   7   9.174   8.585  -3.568
   56   3HD1  LEU   7          3HD1      LEU   7   9.723   7.434  -2.345
   57   1HD2  LEU   7          1HD2      LEU   7  11.764   9.304  -4.910
   58   2HD2  LEU   7          2HD2      LEU   7  11.812   7.946  -6.054
   59   3HD2  LEU   7          3HD2      LEU   7  10.279   8.772  -5.737
   60    H    ASP   8           H        ASP   8  13.216   4.021  -3.957
   61    HA   ASP   8           HA       ASP   8  10.820   2.750  -4.898
   62   1HB   ASP   8          2HB       ASP   8  12.901   2.686  -6.179
   63   2HB   ASP   8          3HB       ASP   8  13.727   1.837  -4.869
   64    H    ALA   9           H        ALA   9  13.086   1.971  -2.205
   65    HA   ALA   9           HA       ALA   9  11.808  -0.488  -1.486
   66   1HB   ALA   9          1HB       ALA   9  13.286   1.538   0.269
   67   2HB   ALA   9          2HB       ALA   9  12.887  -0.132   0.717
   68   3HB   ALA   9          3HB       ALA   9  14.022   0.176  -0.611
   69    H    ALA  10           H        ALA  10  11.198   2.931  -0.499
   70    HA   ALA  10           HA       ALA  10   8.989   2.347   1.210
   71   1HB   ALA  10          1HB       ALA  10   8.424   4.737   0.876
   72   2HB   ALA  10          2HB       ALA  10  10.132   4.487   1.285
   73   3HB   ALA  10          3HB       ALA  10   9.665   4.852  -0.388
   74    H    LEU  11           H        LEU  11   9.131   3.002  -2.362
   75    HA   LEU  11           HA       LEU  11   6.340   2.867  -2.809
   76   1HB   LEU  11          2HB       LEU  11   7.931   3.605  -4.536
   77   2HB   LEU  11          3HB       LEU  11   8.643   1.995  -4.600
   78    HG   LEU  11           HG       LEU  11   6.509   1.044  -5.447
   79   1HD1  LEU  11          1HD1      LEU  11   4.773   2.676  -6.287
   80   2HD1  LEU  11          2HD1      LEU  11   4.854   2.567  -4.528
   81   3HD1  LEU  11          3HD1      LEU  11   5.607   3.944  -5.361
   82   1HD2  LEU  11          1HD2      LEU  11   6.650   2.043  -7.691
   83   2HD2  LEU  11          2HD2      LEU  11   7.587   3.402  -7.032
   84   3HD2  LEU  11          3HD2      LEU  11   8.256   1.758  -7.003
   85    H    LYS  12           H        LYS  12   8.758   0.181  -2.748
   86    HA   LYS  12           HA       LYS  12   6.820  -1.840  -3.245
   87   1HB   LYS  12          2HB       LYS  12   9.197  -2.304  -3.422
   88   2HB   LYS  12          3HB       LYS  12   9.450  -1.964  -1.702
   89   1HG   LYS  12          2HG       LYS  12   8.106  -3.887  -1.051
   90   2HG   LYS  12          3HG       LYS  12   7.631  -4.182  -2.736
   91   1HD   LYS  12          2HD       LYS  12   9.902  -4.796  -3.337
   92   2HD   LYS  12          3HD       LYS  12  10.519  -4.242  -1.777
   93   1HE   LYS  12          2HE       LYS  12  10.414  -6.658  -1.799
   94   2HE   LYS  12          3HE       LYS  12   9.309  -5.998  -0.592
   95   1HZ   LYS  12          1HZ       LYS  12   8.441  -6.909  -3.278
   96   2HZ   LYS  12          2HZ       LYS  12   8.378  -7.831  -1.938
   97   3HZ   LYS  12          3HZ       LYS  12   7.451  -6.498  -2.021
   98    H    LYS  13           H        LYS  13   7.990  -0.507  -0.064
   99    HA   LYS  13           HA       LYS  13   6.263  -2.121   1.492
  100   1HB   LYS  13          2HB       LYS  13   8.136  -0.750   2.394
  101   2HB   LYS  13          3HB       LYS  13   7.188   0.715   2.110
  102   1HG   LYS  13          2HG       LYS  13   5.420  -0.172   3.675
  103   2HG   LYS  13          3HG       LYS  13   6.430  -1.601   3.964
  104   1HD   LYS  13          2HD       LYS  13   8.226  -0.113   4.843
  105   2HD   LYS  13          3HD       LYS  13   7.178   1.289   4.539
  106   1HE   LYS  13          2HE       LYS  13   5.498   0.374   6.122
  107   2HE   LYS  13          3HE       LYS  13   6.575  -0.988   6.472
  108   1HZ   LYS  13          1HZ       LYS  13   7.253   1.869   6.919
  109   2HZ   LYS  13          2HZ       LYS  13   6.783   0.839   8.111
  110   3HZ   LYS  13          3HZ       LYS  13   8.192   0.588   7.332
  111    H    ALA  14           H        ALA  14   5.563   1.041  -0.124
  112    HA   ALA  14           HA       ALA  14   2.956   1.321   0.948
  113   1HB   ALA  14          1HB       ALA  14   2.541   2.864  -0.858
  114   2HB   ALA  14          2HB       ALA  14   4.193   3.123  -0.267
  115   3HB   ALA  14          3HB       ALA  14   3.918   2.247  -1.790
  116    H    LYS  15           H        LYS  15   4.096  -0.452  -1.996
  117    HA   LYS  15           HA       LYS  15   1.463  -1.272  -2.802
  118   1HB   LYS  15          2HB       LYS  15   4.221  -2.451  -3.338
  119   2HB   LYS  15          3HB       LYS  15   2.727  -3.095  -4.029
  120   1HG   LYS  15          2HG       LYS  15   2.243  -1.023  -5.162
  121   2HG   LYS  15          3HG       LYS  15   3.623  -0.205  -4.408
  122   1HD   LYS  15          2HD       LYS  15   5.180  -1.729  -5.571
  123   2HD   LYS  15          3HD       LYS  15   3.803  -2.597  -6.291
  124   1HE   LYS  15          2HE       LYS  15   3.065  -0.473  -7.383
  125   2HE   LYS  15          3HE       LYS  15   4.475   0.353  -6.712
  126   1HZ   LYS  15          1HZ       LYS  15   5.882  -1.168  -8.011
  127   2HZ   LYS  15          2HZ       LYS  15   4.565  -1.914  -8.627
  128   3HZ   LYS  15          3HZ       LYS  15   4.861  -0.358  -8.994
  129    H    GLU  16           H        GLU  16   3.892  -2.829  -0.619
  130    HA   GLU  16           HA       GLU  16   2.335  -5.179  -0.160
  131   1HB   GLU  16          2HB       GLU  16   4.179  -3.792   1.835
  132   2HB   GLU  16          3HB       GLU  16   3.574  -5.431   1.946
  133   1HG   GLU  16          2HG       GLU  16   5.638  -4.333   0.030
  134   2HG   GLU  16          3HG       GLU  16   5.855  -5.513   1.294
  135    H    LEU  17           H        LEU  17   2.474  -2.062   1.641
  136    HA   LEU  17           HA       LEU  17   0.511  -2.635   3.574
  137   1HB   LEU  17          2HB       LEU  17   1.388  -0.035   2.258
  138   2HB   LEU  17          3HB       LEU  17   0.153  -0.062   3.505
  139    HG   LEU  17           HG       LEU  17   2.968  -1.145   3.948
  140   1HD1  LEU  17          1HD1      LEU  17   3.066   1.248   3.444
  141   2HD1  LEU  17          2HD1      LEU  17   1.820   1.569   4.670
  142   3HD1  LEU  17          3HD1      LEU  17   3.409   0.949   5.152
  143   1HD2  LEU  17          1HD2      LEU  17   0.738  -0.411   5.897
  144   2HD2  LEU  17          2HD2      LEU  17   1.301  -2.059   5.528
  145   3HD2  LEU  17          3HD2      LEU  17   2.379  -0.925   6.341
  146    H    ALA  18           H        ALA  18   0.111  -1.093   0.354
  147    HA   ALA  18           HA       ALA  18  -2.660  -0.696   0.430
  148   1HB   ALA  18          1HB       ALA  18  -1.119   0.346  -1.208
  149   2HB   ALA  18          2HB       ALA  18  -0.861  -1.241  -1.968
  150   3HB   ALA  18          3HB       ALA  18  -2.464  -0.480  -2.013
  151    H    SER  19           H        SER  19  -0.995  -3.718   0.192
  152    HA   SER  19           HA       SER  19  -3.388  -5.067  -0.970
  153   1HB   SER  19          2HB       SER  19  -0.513  -6.045  -0.904
  154   2HB   SER  19          3HB       SER  19  -1.869  -6.709  -1.832
  155    HG   SER  19           HG       SER  19  -0.406  -4.321  -2.196
  156    H    SER  20           H        SER  20  -1.684  -4.604   1.964
  157    HA   SER  20           HA       SER  20  -1.806  -7.228   3.034
  158   1HB   SER  20          2HB       SER  20  -1.268  -6.148   5.158
  159   2HB   SER  20          3HB       SER  20  -0.265  -5.532   3.840
  160    HG   SER  20           HG       SER  20  -1.685  -3.681   3.753
  161    H    ALA  21           H        ALA  21  -4.347  -4.981   2.530
  162    HA   ALA  21           HA       ALA  21  -6.266  -6.784   3.815
  163   1HB   ALA  21          1HB       ALA  21  -6.193  -3.758   4.273
  164   2HB   ALA  21          2HB       ALA  21  -7.524  -4.813   4.752
  165   3HB   ALA  21          3HB       ALA  21  -5.935  -5.006   5.513
  166    HA   PRO  22           HA       PRO  22  -8.162  -6.047  -0.098
  167   1HB   PRO  22          2HB       PRO  22 -10.878  -5.986   0.366
  168   2HB   PRO  22          3HB       PRO  22  -9.880  -7.466   0.451
  169   1HG   PRO  22          2HG       PRO  22 -10.706  -5.659   2.750
  170   2HG   PRO  22          3HG       PRO  22 -10.851  -7.446   2.642
  171   1HD   PRO  22          2HD       PRO  22  -8.783  -6.314   3.924
  172   2HD   PRO  22          3HD       PRO  22  -8.495  -7.723   2.867
  173    H    VAL  23           H        VAL  23  -8.749  -3.683   2.435
  174    HA   VAL  23           HA       VAL  23  -9.037  -1.545   0.426
  175    HB   VAL  23           HB       VAL  23 -10.721  -1.815   2.947
  176   1HG1  VAL  23          1HG1      VAL  23 -10.698   0.353   0.806
  177   2HG1  VAL  23          2HG1      VAL  23 -11.928   0.195   2.073
  178   3HG1  VAL  23          3HG1      VAL  23 -10.250   0.529   2.508
  179   1HG2  VAL  23          1HG2      VAL  23 -12.681  -1.997   1.522
  180   2HG2  VAL  23          2HG2      VAL  23 -11.650  -2.065   0.070
  181   3HG2  VAL  23          3HG2      VAL  23 -11.585  -3.350   1.291
  182    H    VAL  24           H        VAL  24  -7.704   0.173   1.015
  183    HA   VAL  24           HA       VAL  24  -6.518   0.200   3.726
  184    HB   VAL  24           HB       VAL  24  -4.881   0.255   1.156
  185   1HG1  VAL  24          1HG1      VAL  24  -4.052   0.175   4.096
  186   2HG1  VAL  24          2HG1      VAL  24  -2.945   0.050   2.716
  187   3HG1  VAL  24          3HG1      VAL  24  -3.841   1.543   2.978
  188   1HG2  VAL  24          1HG2      VAL  24  -5.213  -1.998   3.181
  189   2HG2  VAL  24          2HG2      VAL  24  -5.672  -2.037   1.462
  190   3HG2  VAL  24          3HG2      VAL  24  -3.989  -1.952   1.914
  191    H    VAL  25           H        VAL  25  -6.174   2.287   4.423
  192    HA   VAL  25           HA       VAL  25  -6.757   4.514   2.522
  193    HB   VAL  25           HB       VAL  25  -7.586   4.266   5.442
  194   1HG1  VAL  25          1HG1      VAL  25  -9.037   6.197   4.920
  195   2HG1  VAL  25          2HG1      VAL  25  -7.336   6.568   4.646
  196   3HG1  VAL  25          3HG1      VAL  25  -8.380   6.245   3.262
  197   1HG2  VAL  25          1HG2      VAL  25  -8.885   2.605   4.223
  198   2HG2  VAL  25          2HG2      VAL  25  -9.910   3.985   4.598
  199   3HG2  VAL  25          3HG2      VAL  25  -9.270   3.786   2.952
  200    H    PHE  26           H        PHE  26  -4.777   5.435   2.179
  201    HA   PHE  26           HA       PHE  26  -2.796   5.651   4.366
  202   1HB   PHE  26          2HB       PHE  26  -2.801   6.714   1.513
  203   2HB   PHE  26          3HB       PHE  26  -1.483   6.899   2.663
  204    HD1  PHE  26           1HD      PHE  26  -0.140   4.914   3.411
  205    HD2  PHE  26           2HD      PHE  26  -3.206   4.573   0.400
  206    HE1  PHE  26           1HE      PHE  26   0.747   2.680   2.755
  207    HE2  PHE  26           2HE      PHE  26  -2.303   2.360  -0.266
  208    HZ   PHE  26           HZ       PHE  26  -0.329   1.413   0.912
  209    H    SER  27           H        SER  27  -2.579   7.491   5.620
  210    HA   SER  27           HA       SER  27  -4.105   9.946   5.117
  211   1HB   SER  27          2HB       SER  27  -4.805   7.931   7.296
  212   2HB   SER  27          3HB       SER  27  -5.408   9.601   7.244
  213    HG   SER  27           HG       SER  27  -5.698   8.211   4.886
  214    H    LYS  28           H        LYS  28  -4.028  11.086   7.608
  215    HA   LYS  28           HA       LYS  28  -1.371  10.508   8.802
  216   1HB   LYS  28          2HB       LYS  28  -2.552  13.268   8.265
  217   2HB   LYS  28          3HB       LYS  28  -1.154  12.950   9.296
  218   1HG   LYS  28          2HG       LYS  28   0.082  11.976   7.400
  219   2HG   LYS  28          3HG       LYS  28  -1.304  12.249   6.331
  220   1HD   LYS  28          2HD       LYS  28  -1.140  14.693   6.738
  221   2HD   LYS  28          3HD       LYS  28   0.289  14.412   7.764
  222   1HE   LYS  28          2HE       LYS  28   1.455  13.354   5.836
  223   2HE   LYS  28          3HE       LYS  28   0.034  13.617   4.822
  224   1HZ   LYS  28          1HZ       LYS  28   1.679  15.330   4.467
  225   2HZ   LYS  28          2HZ       LYS  28   0.353  16.013   5.120
  226   3HZ   LYS  28          3HZ       LYS  28   1.683  15.760   6.038
  227    H    THR  29           H        THR  29  -1.626  11.990  11.095
  228    HA   THR  29           HA       THR  29  -3.358  10.205  12.511
  229    HB   THR  29           HB       THR  29  -2.251  11.667  14.437
  230    HG1  THR  29           1HG      THR  29  -0.364  12.682  13.689
  231   1HG2  THR  29          1HG2      THR  29  -0.157  10.365  14.182
  232   2HG2  THR  29          2HG2      THR  29  -1.603   9.375  13.925
  233   3HG2  THR  29          3HG2      THR  29  -0.644   9.908  12.530
  234    H    TYR  30           H        TYR  30  -4.274  13.104  11.047
  235    HA   TYR  30           HA       TYR  30  -6.222  13.681  13.228
  236   1HB   TYR  30          2HB       TYR  30  -5.612  16.087  12.989
  237   2HB   TYR  30          3HB       TYR  30  -4.310  15.088  13.598
  238    HD1  TYR  30           1HD      TYR  30  -2.220  14.862  12.405
  239    HD2  TYR  30           2HD      TYR  30  -5.567  16.859  10.545
  240    HE1  TYR  30           1HE      TYR  30  -0.741  15.623  10.581
  241    HE2  TYR  30           2HE      TYR  30  -4.104  17.591   8.691
  242    HH   TYR  30           HH       TYR  30  -0.582  16.856   8.605
  243    H    CYS  31           H        CYS  31  -5.903  13.258   9.777
  244    HA   CYS  31           HA       CYS  31  -7.331  15.385   8.836
  245   1HB   CYS  31          2HB       CYS  31  -7.765  12.875   7.361
  246   2HB   CYS  31          3HB       CYS  31  -7.065  14.398   6.840
  247    H    GLY  32           H        GLY  32  -9.360  16.086   9.119
  248   1HA   GLY  32          1HA       GLY  32 -11.528  14.628  10.236
  249   2HA   GLY  32          2HA       GLY  32 -11.654  16.103   9.252
  250    H    TYR  33           H        TYR  33 -10.537  15.184   6.813
  251    HA   TYR  33           HA       TYR  33 -12.675  13.701   5.654
  252   1HB   TYR  33          2HB       TYR  33  -9.877  14.340   4.656
  253   2HB   TYR  33          3HB       TYR  33 -11.103  13.529   3.692
  254    HD1  TYR  33           1HD      TYR  33 -13.347  14.701   3.265
  255    HD2  TYR  33           2HD      TYR  33  -9.862  16.746   4.794
  256    HE1  TYR  33           1HE      TYR  33 -14.319  16.870   2.574
  257    HE2  TYR  33           2HE      TYR  33 -10.835  18.916   4.122
  258    HH   TYR  33           HH       TYR  33 -12.642  20.003   3.129
  259    H    CYS  34           H        CYS  34  -9.611  12.591   7.142
  260    HA   CYS  34           HA       CYS  34  -9.778   9.888   6.091
  261   1HB   CYS  34          2HB       CYS  34  -7.655  10.705   7.060
  262   2HB   CYS  34          3HB       CYS  34  -8.445  10.911   8.638
  263    HG   CYS  34           HG       CYS  34  -7.544   8.297   6.937
  264    H    ASN  35           H        ASN  35 -10.894  11.519   9.150
  265    HA   ASN  35           HA       ASN  35 -12.269   9.241  10.140
  266   1HB   ASN  35          2HB       ASN  35 -12.006  11.179  11.566
  267   2HB   ASN  35          3HB       ASN  35 -12.986  12.170  10.483
  268   1HD2  ASN  35          2HD2      ASN  35 -15.036  12.486  11.331
  269   2HD2  ASN  35          1HD2      ASN  35 -15.950  11.276  12.190
  270    H    ARG  36           H        ARG  36 -13.511  11.751   7.832
  271    HA   ARG  36           HA       ARG  36 -16.104  10.625   7.590
  272   1HB   ARG  36          2HB       ARG  36 -14.449  12.092   5.491
  273   2HB   ARG  36          3HB       ARG  36 -16.152  11.673   5.307
  274   1HG   ARG  36          2HG       ARG  36 -16.752  13.032   7.271
  275   2HG   ARG  36          3HG       ARG  36 -15.052  13.452   7.523
  276   1HD   ARG  36          2HD       ARG  36 -15.010  14.476   5.226
  277   2HD   ARG  36          3HD       ARG  36 -16.752  14.156   5.102
  278    HE   ARG  36           HE       ARG  36 -16.118  15.606   7.505
  279   1HH1  ARG  36          1HH2      ARG  36 -16.553  16.072   4.015
  280   2HH1  ARG  36          2HH2      ARG  36 -16.902  17.756   4.137
  281   1HH2  ARG  36          1HH1      ARG  36 -16.591  17.849   7.674
  282   2HH2  ARG  36          2HH1      ARG  36 -16.930  18.783   6.268
  283    H    VAL  37           H        VAL  37 -13.131   9.771   5.700
  284    HA   VAL  37           HA       VAL  37 -14.444   7.784   4.116
  285    HB   VAL  37           HB       VAL  37 -11.542   8.248   4.907
  286   1HG1  VAL  37          1HG1      VAL  37 -12.592   6.198   2.907
  287   2HG1  VAL  37          2HG1      VAL  37 -10.895   6.693   3.130
  288   3HG1  VAL  37          3HG1      VAL  37 -11.728   5.842   4.421
  289   1HG2  VAL  37          1HG2      VAL  37 -11.385   8.953   2.520
  290   2HG2  VAL  37          2HG2      VAL  37 -13.124   8.653   2.326
  291   3HG2  VAL  37          3HG2      VAL  37 -12.562   9.932   3.411
  292    H    LYS  38           H        LYS  38 -12.630   7.478   7.228
  293    HA   LYS  38           HA       LYS  38 -12.970   4.711   7.611
  294   1HB   LYS  38          2HB       LYS  38 -13.057   6.947   9.681
  295   2HB   LYS  38          3HB       LYS  38 -12.996   5.239  10.069
  296   1HG   LYS  38          2HG       LYS  38 -10.781   5.016   9.030
  297   2HG   LYS  38          3HG       LYS  38 -10.799   6.711   8.529
  298   1HD   LYS  38          2HD       LYS  38 -10.982   7.431  10.891
  299   2HD   LYS  38          3HD       LYS  38 -11.029   5.740  11.424
  300   1HE   LYS  38          2HE       LYS  38  -8.752   5.372  10.611
  301   2HE   LYS  38          3HE       LYS  38  -8.699   6.995   9.919
  302   1HZ   LYS  38          1HZ       LYS  38  -8.899   7.875  12.187
  303   2HZ   LYS  38          2HZ       LYS  38  -8.864   6.359  12.806
  304   3HZ   LYS  38          3HZ       LYS  38  -7.559   6.962  12.019
  305    H    GLN  39           H        GLN  39 -15.305   7.354   8.552
  306    HA   GLN  39           HA       GLN  39 -17.246   5.476   9.503
  307   1HB   GLN  39          2HB       GLN  39 -17.704   8.294   8.438
  308   2HB   GLN  39          3HB       GLN  39 -18.858   7.329   9.354
  309   1HG   GLN  39          2HG       GLN  39 -16.343   8.670  10.332
  310   2HG   GLN  39          3HG       GLN  39 -17.979   8.889  10.885
  311   1HE2  GLN  39          2HE2      GLN  39 -15.266   8.021  12.176
  312   2HE2  GLN  39          1HE2      GLN  39 -15.715   6.613  13.121
  313    H    LEU  40           H        LEU  40 -16.728   6.888   6.233
  314    HA   LEU  40           HA       LEU  40 -19.118   6.001   5.038
  315   1HB   LEU  40          2HB       LEU  40 -17.285   7.544   4.096
  316   2HB   LEU  40          3HB       LEU  40 -16.375   6.090   3.719
  317    HG   LEU  40           HG       LEU  40 -18.416   5.358   2.290
  318   1HD1  LEU  40          1HD1      LEU  40 -19.120   8.291   2.774
  319   2HD1  LEU  40          2HD1      LEU  40 -19.788   7.300   1.470
  320   3HD1  LEU  40          3HD1      LEU  40 -20.125   6.873   3.152
  321   1HD2  LEU  40          1HD2      LEU  40 -16.312   6.149   1.342
  322   2HD2  LEU  40          2HD2      LEU  40 -17.690   6.746   0.415
  323   3HD2  LEU  40          3HD2      LEU  40 -16.835   7.836   1.533
  324    H    LEU  41           H        LEU  41 -15.937   4.360   5.280
  325    HA   LEU  41           HA       LEU  41 -16.775   1.926   3.991
  326   1HB   LEU  41          2HB       LEU  41 -14.450   2.597   5.841
  327   2HB   LEU  41          3HB       LEU  41 -14.633   1.045   5.027
  328    HG   LEU  41           HG       LEU  41 -14.411   3.707   3.551
  329   1HD1  LEU  41          1HD1      LEU  41 -12.289   1.591   4.087
  330   2HD1  LEU  41          2HD1      LEU  41 -12.096   3.031   3.059
  331   3HD1  LEU  41          3HD1      LEU  41 -12.357   3.213   4.801
  332   1HD2  LEU  41          1HD2      LEU  41 -13.895   2.242   1.592
  333   2HD2  LEU  41          2HD2      LEU  41 -14.295   0.816   2.575
  334   3HD2  LEU  41          3HD2      LEU  41 -15.540   2.022   2.186
  335    H    THR  42           H        THR  42 -16.595   2.938   7.423
  336    HA   THR  42           HA       THR  42 -17.229   0.410   8.546
  337    HB   THR  42           HB       THR  42 -17.839   3.214   9.579
  338    HG1  THR  42           1HG      THR  42 -15.704   3.035   9.254
  339   1HG2  THR  42          1HG2      THR  42 -17.720   2.169  11.831
  340   2HG2  THR  42          2HG2      THR  42 -19.089   1.567  10.882
  341   3HG2  THR  42          3HG2      THR  42 -17.631   0.562  11.069
  342    H    GLN  43           H        GLN  43 -19.382   3.055   7.339
  343    HA   GLN  43           HA       GLN  43 -21.747   1.898   8.404
  344   1HB   GLN  43          2HB       GLN  43 -21.209   3.915   6.202
  345   2HB   GLN  43          3HB       GLN  43 -22.855   3.392   6.571
  346   1HG   GLN  43          2HG       GLN  43 -22.758   4.193   8.821
  347   2HG   GLN  43          3HG       GLN  43 -21.018   4.458   8.747
  348   1HE2  GLN  43          2HE2      GLN  43 -20.213   6.103   7.223
  349   2HE2  GLN  43          1HE2      GLN  43 -21.197   7.526   6.889
  350    H    VAL  44           H        VAL  44 -20.146   1.390   5.212
  351    HA   VAL  44           HA       VAL  44 -22.284  -0.429   4.365
  352    HB   VAL  44           HB       VAL  44 -20.823  -0.906   2.435
  353   1HG1  VAL  44          1HG1      VAL  44 -22.468   0.944   2.404
  354   2HG1  VAL  44          2HG1      VAL  44 -21.209   2.072   2.964
  355   3HG1  VAL  44          3HG1      VAL  44 -21.060   1.275   1.383
  356   1HG2  VAL  44          1HG2      VAL  44 -18.828   0.469   2.015
  357   2HG2  VAL  44          2HG2      VAL  44 -18.927   1.157   3.633
  358   3HG2  VAL  44          3HG2      VAL  44 -18.587  -0.575   3.426
  359    H    GLY  45           H        GLY  45 -19.796  -0.744   6.635
  360   1HA   GLY  45          1HA       GLY  45 -19.174  -2.548   7.861
  361   2HA   GLY  45          2HA       GLY  45 -20.282  -3.565   6.927
  362    H    ALA  46           H        ALA  46 -17.637  -1.607   5.500
  363    HA   ALA  46           HA       ALA  46 -16.476  -3.986   4.242
  364   1HB   ALA  46          1HB       ALA  46 -16.549  -1.834   3.016
  365   2HB   ALA  46          2HB       ALA  46 -15.607  -1.056   4.305
  366   3HB   ALA  46          3HB       ALA  46 -14.871  -2.332   3.319
  367    H    SER  47           H        SER  47 -14.599  -4.963   4.893
  368    HA   SER  47           HA       SER  47 -13.300  -4.196   7.432
  369   1HB   SER  47          2HB       SER  47 -12.633  -6.340   5.355
  370   2HB   SER  47          3HB       SER  47 -11.885  -6.166   6.955
  371    HG   SER  47           HG       SER  47 -13.574  -7.728   6.930
  372    H    TYR  48           H        TYR  48 -11.421  -2.889   7.460
  373    HA   TYR  48           HA       TYR  48  -9.914  -2.458   4.987
  374   1HB   TYR  48          2HB       TYR  48 -10.188  -0.044   4.996
  375   2HB   TYR  48          3HB       TYR  48 -11.738  -0.826   4.783
  376    HD1  TYR  48           1HD      TYR  48 -13.492  -0.677   6.472
  377    HD2  TYR  48           2HD      TYR  48  -9.691   1.264   7.044
  378    HE1  TYR  48           1HE      TYR  48 -14.467   0.639   8.325
  379    HE2  TYR  48           2HE      TYR  48 -10.652   2.578   8.919
  380    HH   TYR  48           HH       TYR  48 -14.065   2.224   9.971
  381    H    LYS  49           H        LYS  49  -8.049  -1.046   5.356
  382    HA   LYS  49           HA       LYS  49  -6.965  -1.067   8.148
  383   1HB   LYS  49          2HB       LYS  49  -5.909  -2.786   6.728
  384   2HB   LYS  49          3HB       LYS  49  -5.646  -1.603   5.443
  385   1HG   LYS  49          2HG       LYS  49  -4.027  -0.388   6.880
  386   2HG   LYS  49          3HG       LYS  49  -4.298  -1.580   8.174
  387   1HD   LYS  49          2HD       LYS  49  -3.462  -3.372   6.642
  388   2HD   LYS  49          3HD       LYS  49  -3.280  -2.175   5.358
  389   1HE   LYS  49          2HE       LYS  49  -1.111  -2.568   6.251
  390   2HE   LYS  49          3HE       LYS  49  -1.601  -0.945   6.736
  391   1HZ   LYS  49          1HZ       LYS  49  -2.129  -1.845   8.943
  392   2HZ   LYS  49          2HZ       LYS  49  -1.710  -3.356   8.469
  393   3HZ   LYS  49          3HZ       LYS  49  -0.583  -2.186   8.561
  394    H    VAL  50           H        VAL  50  -5.524   0.734   8.572
  395    HA   VAL  50           HA       VAL  50  -5.749   3.008   6.694
  396    HB   VAL  50           HB       VAL  50  -6.116   3.182   9.704
  397   1HG1  VAL  50          1HG1      VAL  50  -6.479   5.303   7.521
  398   2HG1  VAL  50          2HG1      VAL  50  -6.745   5.538   9.260
  399   3HG1  VAL  50          3HG1      VAL  50  -5.122   5.233   8.659
  400   1HG2  VAL  50          1HG2      VAL  50  -8.219   3.371   7.509
  401   2HG2  VAL  50          2HG2      VAL  50  -8.136   2.179   8.828
  402   3HG2  VAL  50          3HG2      VAL  50  -8.472   3.863   9.194
  403    H    VAL  51           H        VAL  51  -3.885   4.276   6.682
  404    HA   VAL  51           HA       VAL  51  -1.536   3.346   8.264
  405    HB   VAL  51           HB       VAL  51  -1.605   4.030   5.294
  406   1HG1  VAL  51          1HG1      VAL  51   0.711   3.059   7.029
  407   2HG1  VAL  51          2HG1      VAL  51   0.764   3.449   5.293
  408   3HG1  VAL  51          3HG1      VAL  51   0.493   4.732   6.466
  409   1HG2  VAL  51          1HG2      VAL  51  -2.530   1.791   5.626
  410   2HG2  VAL  51          2HG2      VAL  51  -0.914   1.677   4.934
  411   3HG2  VAL  51          3HG2      VAL  51  -1.156   1.350   6.667
  412    H    GLU  52           H        GLU  52  -1.903   5.030   9.710
  413    HA   GLU  52           HA       GLU  52  -2.199   7.790   8.781
  414   1HB   GLU  52          2HB       GLU  52  -1.847   6.637  11.575
  415   2HB   GLU  52          3HB       GLU  52  -2.150   8.341  11.174
  416   1HG   GLU  52          2HG       GLU  52  -4.285   7.625  10.015
  417   2HG   GLU  52          3HG       GLU  52  -3.999   5.984  10.581
  418    H    LEU  53           H        LEU  53  -0.434   8.065   7.526
  419    HA   LEU  53           HA       LEU  53   2.110   7.105   7.689
  420   1HB   LEU  53          2HB       LEU  53   1.130   9.782   6.621
  421   2HB   LEU  53          3HB       LEU  53   2.726   9.135   6.273
  422    HG   LEU  53           HG       LEU  53   0.195   7.585   5.577
  423   1HD1  LEU  53          1HD1      LEU  53   1.700   9.553   3.813
  424   2HD1  LEU  53          2HD1      LEU  53   0.400   8.464   3.288
  425   3HD1  LEU  53          3HD1      LEU  53   0.057   9.755   4.448
  426   1HD2  LEU  53          1HD2      LEU  53   2.320   6.295   5.589
  427   2HD2  LEU  53          2HD2      LEU  53   1.652   6.478   3.962
  428   3HD2  LEU  53          3HD2      LEU  53   3.031   7.480   4.470
  429    H    ASP  54           H        ASP  54   0.968  10.075   9.344
  430    HA   ASP  54           HA       ASP  54   3.512  11.093  10.017
  431   1HB   ASP  54          2HB       ASP  54   1.416  12.370  10.193
  432   2HB   ASP  54          3HB       ASP  54   0.886  11.337  11.519
  433    H    GLU  55           H        GLU  55   1.801   8.355  11.409
  434    HA   GLU  55           HA       GLU  55   3.618   8.296  13.767
  435   1HB   GLU  55          2HB       GLU  55   1.116   8.228  14.030
  436   2HB   GLU  55          3HB       GLU  55   1.104   6.674  13.192
  437   1HG   GLU  55          2HG       GLU  55   2.450   5.671  14.992
  438   2HG   GLU  55          3HG       GLU  55   2.660   7.251  15.754
  439    H    LEU  56           H        LEU  56   3.386   7.040  10.604
  440    HA   LEU  56           HA       LEU  56   4.101   4.295  11.101
  441   1HB   LEU  56          2HB       LEU  56   2.917   5.140   9.062
  442   2HB   LEU  56          3HB       LEU  56   4.391   5.986   8.591
  443    HG   LEU  56           HG       LEU  56   5.579   3.798   8.402
  444   1HD1  LEU  56          1HD1      LEU  56   4.288   2.389   9.959
  445   2HD1  LEU  56          2HD1      LEU  56   2.823   2.615   8.980
  446   3HD1  LEU  56          3HD1      LEU  56   4.202   1.705   8.336
  447   1HD2  LEU  56          1HD2      LEU  56   3.011   4.032   6.795
  448   2HD2  LEU  56          2HD2      LEU  56   4.560   4.836   6.450
  449   3HD2  LEU  56          3HD2      LEU  56   4.443   3.072   6.360
  450    H    SER  57           H        SER  57   6.134   3.269  10.739
  451    HA   SER  57           HA       SER  57   8.319   4.411  11.986
  452   1HB   SER  57          2HB       SER  57   9.442   2.327  10.833
  453   2HB   SER  57          3HB       SER  57   8.177   2.124  12.054
  454    HG   SER  57           HG       SER  57   7.714   0.804  10.343
  455    H    ASP  58           H        ASP  58   7.552   4.440   8.529
  456    HA   ASP  58           HA       ASP  58   9.961   6.096   7.993
  457   1HB   ASP  58          2HB       ASP  58  10.378   4.978   5.980
  458   2HB   ASP  58          3HB       ASP  58  10.176   3.704   7.182
  459    H    GLY  59           H        GLY  59   7.200   6.799   8.692
  460   1HA   GLY  59          1HA       GLY  59   5.270   7.365   7.006
  461   2HA   GLY  59          2HA       GLY  59   5.871   8.575   8.149
  462    H    SER  60           H        SER  60   8.030   9.744   7.154
  463    HA   SER  60           HA       SER  60   7.033  11.340   5.070
  464   1HB   SER  60          2HB       SER  60   9.951  11.002   5.852
  465   2HB   SER  60          3HB       SER  60   9.177  12.444   5.176
  466    HG   SER  60           HG       SER  60   8.014  12.671   7.102
  467    H    GLN  61           H        GLN  61   9.211   8.508   4.907
  468    HA   GLN  61           HA       GLN  61   9.959   8.941   2.112
  469   1HB   GLN  61          2HB       GLN  61  10.144   6.478   3.914
  470   2HB   GLN  61          3HB       GLN  61  10.790   6.599   2.276
  471   1HG   GLN  61          2HG       GLN  61  12.326   8.376   2.952
  472   2HG   GLN  61          3HG       GLN  61  11.647   8.398   4.585
  473   1HE2  GLN  61          2HE2      GLN  61  12.761   5.712   2.381
  474   2HE2  GLN  61          1HE2      GLN  61  13.944   5.073   3.502
  475    H    LEU  62           H        LEU  62   7.606   6.968   3.948
  476    HA   LEU  62           HA       LEU  62   6.534   5.620   1.694
  477   1HB   LEU  62          2HB       LEU  62   6.392   5.265   4.342
  478   2HB   LEU  62          3HB       LEU  62   4.916   6.181   4.187
  479    HG   LEU  62           HG       LEU  62   4.571   3.768   4.220
  480   1HD1  LEU  62          1HD1      LEU  62   2.994   5.159   2.843
  481   2HD1  LEU  62          2HD1      LEU  62   3.948   4.733   1.412
  482   3HD1  LEU  62          3HD1      LEU  62   3.100   3.473   2.324
  483   1HD2  LEU  62          1HD2      LEU  62   6.031   3.537   1.585
  484   2HD2  LEU  62          2HD2      LEU  62   6.721   3.106   3.157
  485   3HD2  LEU  62          3HD2      LEU  62   5.300   2.242   2.546
  486    H    GLN  63           H        GLN  63   5.518   8.631   3.356
  487    HA   GLN  63           HA       GLN  63   3.312   9.318   1.732
  488   1HB   GLN  63          2HB       GLN  63   3.813  10.455   3.827
  489   2HB   GLN  63          3HB       GLN  63   5.385  10.960   3.236
  490   1HG   GLN  63          2HG       GLN  63   3.930  12.848   3.271
  491   2HG   GLN  63          3HG       GLN  63   4.339  12.487   1.608
  492   1HE2  GLN  63          2HE2      GLN  63   2.629  11.383   0.253
  493   2HE2  GLN  63          1HE2      GLN  63   0.956  11.790   0.633
  494    H    SER  64           H        SER  64   6.835   9.947   1.290
  495    HA   SER  64           HA       SER  64   6.524  11.532  -1.074
  496   1HB   SER  64          2HB       SER  64   8.909   9.847  -0.187
  497   2HB   SER  64          3HB       SER  64   8.924  11.144  -1.391
  498    HG   SER  64           HG       SER  64   8.388  11.340   1.401
  499    H    ALA  65           H        ALA  65   7.114   8.000  -0.603
  500    HA   ALA  65           HA       ALA  65   7.164   7.327  -3.367
  501   1HB   ALA  65          1HB       ALA  65   6.663   5.059  -2.611
  502   2HB   ALA  65          2HB       ALA  65   7.922   5.793  -1.611
  503   3HB   ALA  65          3HB       ALA  65   6.252   5.657  -0.988
  504    H    LEU  66           H        LEU  66   4.432   7.553  -1.031
  505    HA   LEU  66           HA       LEU  66   2.362   6.766  -2.749
  506   1HB   LEU  66          2HB       LEU  66   2.583   8.181  -0.195
  507   2HB   LEU  66          3HB       LEU  66   1.395   8.985  -1.182
  508    HG   LEU  66           HG       LEU  66   0.360   7.366   0.270
  509   1HD1  LEU  66          1HD1      LEU  66  -0.665   7.761  -1.960
  510   2HD1  LEU  66          2HD1      LEU  66   0.189   6.334  -2.589
  511   3HD1  LEU  66          3HD1      LEU  66  -1.011   6.153  -1.299
  512   1HD2  LEU  66          1HD2      LEU  66   0.751   4.961   0.085
  513   2HD2  LEU  66          2HD2      LEU  66   1.999   5.227  -1.150
  514   3HD2  LEU  66          3HD2      LEU  66   2.240   5.830   0.500
  515    H    ALA  67           H        ALA  67   3.720  10.084  -2.310
  516    HA   ALA  67           HA       ALA  67   1.957  11.262  -4.209
  517   1HB   ALA  67          1HB       ALA  67   3.532  13.169  -4.160
  518   2HB   ALA  67          2HB       ALA  67   3.240  12.562  -2.517
  519   3HB   ALA  67          3HB       ALA  67   4.754  12.160  -3.358
  520    H    HIS  68           H        HIS  68   5.273  10.009  -4.593
  521    HA   HIS  68           HA       HIS  68   5.645  10.524  -7.338
  522   1HB   HIS  68          2HB       HIS  68   7.542   9.844  -6.196
  523   2HB   HIS  68          3HB       HIS  68   6.699   8.610  -5.279
  524    HD1  HIS  68           1HD      HIS  68   8.451   8.986  -8.672
  525    HD2  HIS  68           2HD      HIS  68   6.449   6.181  -6.243
  526    HE1  HIS  68           1HE      HIS  68   8.894   6.702  -9.706
  527    H    TRP  69           H        TRP  69   4.088   7.714  -5.735
  528    HA   TRP  69           HA       TRP  69   3.747   6.210  -8.135
  529   1HB   TRP  69          2HB       TRP  69   3.981   5.342  -5.829
  530   2HB   TRP  69          3HB       TRP  69   2.434   6.032  -5.389
  531    HD1  TRP  69           HD1      TRP  69   2.481   4.183  -8.712
  532    HE1  TRP  69           HE1      TRP  69   1.312   1.958  -8.477
  533    HE3  TRP  69           HE3      TRP  69   2.059   4.059  -3.615
  534    HZ2  TRP  69           HZ2      TRP  69   0.212   0.311  -6.328
  535    HZ3  TRP  69           HZ3      TRP  69   0.931   2.140  -2.497
  536    HH2  TRP  69           HH2      TRP  69   0.008   0.274  -3.846
  537    H    THR  70           H        THR  70   1.475   8.178  -6.149
  538    HA   THR  70           HA       THR  70  -0.764   7.407  -7.849
  539    HB   THR  70           HB       THR  70  -2.063   8.764  -6.248
  540    HG1  THR  70           1HG      THR  70   0.347   9.141  -4.809
  541   1HG2  THR  70          1HG2      THR  70  -0.123   6.806  -4.947
  542   2HG2  THR  70          2HG2      THR  70  -1.662   7.356  -4.262
  543   3HG2  THR  70          3HG2      THR  70  -1.649   6.409  -5.759
  544    H    GLY  71           H        GLY  71   1.374  10.213  -7.638
  545   1HA   GLY  71          1HA       GLY  71   1.366  12.205  -8.768
  546   2HA   GLY  71          2HA       GLY  71   0.100  11.587  -9.854
  547    H    ARG  72           H        ARG  72  -0.377  11.413  -6.366
  548    HA   ARG  72           HA       ARG  72  -2.280  13.716  -6.403
  549   1HB   ARG  72          2HB       ARG  72  -3.448  11.520  -6.764
  550   2HB   ARG  72          3HB       ARG  72  -2.787  10.935  -5.236
  551   1HG   ARG  72          2HG       ARG  72  -3.938  12.938  -4.118
  552   2HG   ARG  72          3HG       ARG  72  -4.761  13.216  -5.658
  553   1HD   ARG  72          2HD       ARG  72  -4.924  10.777  -3.845
  554   2HD   ARG  72          3HD       ARG  72  -6.201  11.943  -4.140
  555    HE   ARG  72           HE       ARG  72  -5.276   9.742  -5.872
  556   1HH1  ARG  72          1HH2      ARG  72  -7.428  12.565  -5.622
  557   2HH1  ARG  72          2HH2      ARG  72  -8.392  12.127  -6.982
  558   1HH2  ARG  72          1HH1      ARG  72  -6.483   9.230  -7.749
  559   2HH2  ARG  72          2HH1      ARG  72  -7.847  10.176  -8.210
  560    H    GLY  73           H        GLY  73  -0.913  11.216  -4.180
  561   1HA   GLY  73          1HA       GLY  73   0.421  11.383  -2.349
  562   2HA   GLY  73          2HA       GLY  73   0.759  13.060  -2.793
  563    H    THR  74           H        THR  74  -2.075  13.983  -2.555
  564    HA   THR  74           HA       THR  74  -2.108  14.661   0.188
  565    HB   THR  74           HB       THR  74  -4.464  15.507  -0.512
  566    HG1  THR  74           1HG      THR  74  -4.889  15.471  -2.675
  567   1HG2  THR  74          1HG2      THR  74  -2.017  16.411  -2.109
  568   2HG2  THR  74          2HG2      THR  74  -3.496  17.356  -1.820
  569   3HG2  THR  74          3HG2      THR  74  -2.439  16.939  -0.465
  570    H    VAL  75           H        VAL  75  -4.103  14.350   1.597
  571    HA   VAL  75           HA       VAL  75  -4.767  11.464   1.665
  572    HB   VAL  75           HB       VAL  75  -4.491  11.767   4.182
  573   1HG1  VAL  75          1HG1      VAL  75  -2.001  11.917   2.426
  574   2HG1  VAL  75          2HG1      VAL  75  -2.080  11.280   4.079
  575   3HG1  VAL  75          3HG1      VAL  75  -2.942  10.453   2.772
  576   1HG2  VAL  75          1HG2      VAL  75  -2.987  13.430   5.033
  577   2HG2  VAL  75          2HG2      VAL  75  -2.731  14.134   3.427
  578   3HG2  VAL  75          3HG2      VAL  75  -4.319  14.259   4.226
  579    HA   PRO  76           HA       PRO  76  -5.917  10.160   3.248
  580   1HB   PRO  76          2HB       PRO  76  -8.243   8.773   3.128
  581   2HB   PRO  76          3HB       PRO  76  -7.820   9.761   4.562
  582   1HG   PRO  76          2HG       PRO  76  -9.567  10.567   2.236
  583   2HG   PRO  76          3HG       PRO  76  -9.936  10.644   3.986
  584   1HD   PRO  76          2HD       PRO  76  -8.952  12.812   2.604
  585   2HD   PRO  76          3HD       PRO  76  -8.450  12.489   4.293
  586    H    ASN  77           H        ASN  77  -5.840   8.275   1.766
  587    HA   ASN  77           HA       ASN  77  -7.022   8.666  -0.932
  588   1HB   ASN  77          2HB       ASN  77  -4.632   9.505  -0.920
  589   2HB   ASN  77          3HB       ASN  77  -4.113   7.867  -0.504
  590   1HD2  ASN  77          2HD2      ASN  77  -3.065   8.873  -2.797
  591   2HD2  ASN  77          1HD2      ASN  77  -3.895   8.248  -4.216
  592    H    VAL  78           H        VAL  78  -8.035   6.828  -1.508
  593    HA   VAL  78           HA       VAL  78  -7.742   4.519   0.327
  594    HB   VAL  78           HB       VAL  78 -10.076   5.295  -1.474
  595   1HG1  VAL  78          1HG1      VAL  78 -10.071   2.893  -1.004
  596   2HG1  VAL  78          2HG1      VAL  78  -9.778   3.185   0.721
  597   3HG1  VAL  78          3HG1      VAL  78 -11.320   3.648  -0.016
  598   1HG2  VAL  78          1HG2      VAL  78 -11.211   5.921   0.676
  599   2HG2  VAL  78          2HG2      VAL  78  -9.674   5.691   1.519
  600   3HG2  VAL  78          3HG2      VAL  78  -9.851   6.979   0.306
  601    H    PHE  79           H        PHE  79  -7.276   2.567  -0.424
  602    HA   PHE  79           HA       PHE  79  -6.968   2.085  -3.336
  603   1HB   PHE  79          2HB       PHE  79  -5.194   1.273  -0.989
  604   2HB   PHE  79          3HB       PHE  79  -5.179   0.420  -2.520
  605    HD1  PHE  79           1HD      PHE  79  -3.466   0.945  -3.989
  606    HD2  PHE  79           2HD      PHE  79  -4.894   4.015  -1.306
  607    HE1  PHE  79           1HE      PHE  79  -1.758   2.513  -4.853
  608    HE2  PHE  79           2HE      PHE  79  -3.186   5.569  -2.185
  609    HZ   PHE  79           HZ       PHE  79  -1.584   4.804  -3.928
  610    H    ILE  80           H        ILE  80  -7.733   0.042  -3.966
  611    HA   ILE  80           HA       ILE  80  -8.820  -1.758  -1.900
  612    HB   ILE  80           HB       ILE  80 -10.452  -0.706  -4.255
  613   1HG1  ILE  80          2HG1      ILE  80 -10.790  -0.468  -1.244
  614   2HG1  ILE  80          3HG1      ILE  80 -10.457   0.845  -2.359
  615   1HG2  ILE  80          1HG2      ILE  80 -10.781  -3.135  -3.972
  616   2HG2  ILE  80          2HG2      ILE  80 -11.161  -2.893  -2.251
  617   3HG2  ILE  80          3HG2      ILE  80 -12.224  -2.261  -3.521
  618   1HD1  ILE  80          1HD1      ILE  80 -13.067  -0.691  -2.154
  619   2HD1  ILE  80          2HD1      ILE  80 -12.744   0.977  -1.669
  620   3HD1  ILE  80          3HD1      ILE  80 -12.704   0.539  -3.385
  621    H    GLY  81           H        GLY  81  -8.442  -3.858  -2.461
  622   1HA   GLY  81          1HA       GLY  81  -7.343  -5.587  -3.478
  623   2HA   GLY  81          2HA       GLY  81  -8.041  -4.974  -4.987
  624    H    GLY  82           H        GLY  82  -5.659  -3.182  -2.984
  625   1HA   GLY  82          1HA       GLY  82  -3.461  -2.669  -3.330
  626   2HA   GLY  82          2HA       GLY  82  -3.363  -3.949  -4.536
  627    H    LYS  83           H        LYS  83  -5.875  -1.562  -5.217
  628    HA   LYS  83           HA       LYS  83  -4.010  -0.101  -7.051
  629   1HB   LYS  83          2HB       LYS  83  -5.444  -1.808  -8.179
  630   2HB   LYS  83          3HB       LYS  83  -6.885  -0.992  -7.557
  631   1HG   LYS  83          2HG       LYS  83  -6.258   1.062  -8.808
  632   2HG   LYS  83          3HG       LYS  83  -4.813   0.255  -9.427
  633   1HD   LYS  83          2HD       LYS  83  -7.694  -0.613  -9.943
  634   2HD   LYS  83          3HD       LYS  83  -6.697   0.343 -11.049
  635   1HE   LYS  83          2HE       LYS  83  -5.050  -1.526 -11.175
  636   2HE   LYS  83          3HE       LYS  83  -6.081  -2.498 -10.117
  637   1HZ   LYS  83          1HZ       LYS  83  -6.855  -1.497 -12.796
  638   2HZ   LYS  83          2HZ       LYS  83  -6.449  -3.032 -12.436
  639   3HZ   LYS  83          3HZ       LYS  83  -7.811  -2.392 -11.816
  640    H    GLN  84           H        GLN  84  -4.270   2.143  -7.074
  641    HA   GLN  84           HA       GLN  84  -5.624   3.466  -4.937
  642   1HB   GLN  84          2HB       GLN  84  -3.739   4.522  -6.087
  643   2HB   GLN  84          3HB       GLN  84  -4.593   4.456  -7.635
  644   1HG   GLN  84          2HG       GLN  84  -6.300   6.035  -6.790
  645   2HG   GLN  84          3HG       GLN  84  -5.523   6.042  -5.203
  646   1HE2  GLN  84          2HE2      GLN  84  -4.062   6.337  -8.543
  647   2HE2  GLN  84          1HE2      GLN  84  -3.438   7.942  -8.261
  648    H    ILE  85           H        ILE  85  -7.715   4.145  -4.768
  649    HA   ILE  85           HA       ILE  85  -9.480   3.938  -7.171
  650    HB   ILE  85           HB       ILE  85 -10.216   4.106  -4.221
  651   1HG1  ILE  85          2HG1      ILE  85  -9.296   1.935  -4.551
  652   2HG1  ILE  85          3HG1      ILE  85 -11.039   1.772  -4.537
  653   1HG2  ILE  85          1HG2      ILE  85 -11.956   3.737  -6.696
  654   2HG2  ILE  85          2HG2      ILE  85 -12.513   3.576  -5.014
  655   3HG2  ILE  85          3HG2      ILE  85 -11.938   5.138  -5.607
  656   1HD1  ILE  85          1HD1      ILE  85 -10.127   0.319  -6.249
  657   2HD1  ILE  85          2HD1      ILE  85 -11.000   1.626  -7.066
  658   3HD1  ILE  85          3HD1      ILE  85  -9.225   1.637  -6.987
  659    H    GLY  86           H        GLY  86  -8.699   6.075  -4.309
  660   1HA   GLY  86          1HA       GLY  86  -7.976   8.322  -5.557
  661   2HA   GLY  86          2HA       GLY  86  -9.729   8.409  -5.765
  662    H    GLY  87           H        GLY  87  -9.478  10.377  -4.493
  663   1HA   GLY  87          1HA       GLY  87  -8.592  10.233  -1.708
  664   2HA   GLY  87          2HA       GLY  87  -9.221  11.643  -2.565
  665    H    CYS  88           H        CYS  88 -10.212  11.681  -0.271
  666    HA   CYS  88           HA       CYS  88 -12.372  10.104   0.552
  667   1HB   CYS  88          2HB       CYS  88 -13.154  12.333   1.614
  668   2HB   CYS  88          3HB       CYS  88 -11.576  11.713   2.095
  669    HG   CYS  88           HG       CYS  88 -11.538  14.365   1.859
  670    H    ASP  89           H        ASP  89 -12.444  13.003  -1.564
  671    HA   ASP  89           HA       ASP  89 -15.227  13.032  -1.988
  672   1HB   ASP  89          2HB       ASP  89 -13.766  14.898  -2.595
  673   2HB   ASP  89          3HB       ASP  89 -12.959  13.912  -3.818
  674    H    THR  90           H        THR  90 -12.689  11.148  -3.719
  675    HA   THR  90           HA       THR  90 -14.365  10.251  -5.818
  676    HB   THR  90           HB       THR  90 -12.044   8.705  -4.604
  677    HG1  THR  90           1HG      THR  90 -11.942  10.957  -6.327
  678   1HG2  THR  90          1HG2      THR  90 -11.651   8.163  -7.045
  679   2HG2  THR  90          2HG2      THR  90 -13.137   7.490  -6.357
  680   3HG2  THR  90          3HG2      THR  90 -13.214   8.924  -7.404
  681    H    VAL  91           H        VAL  91 -13.550   8.697  -2.608
  682    HA   VAL  91           HA       VAL  91 -15.290   6.477  -3.241
  683    HB   VAL  91           HB       VAL  91 -15.037   5.834  -0.857
  684   1HG1  VAL  91          1HG1      VAL  91 -12.716   5.166  -1.112
  685   2HG1  VAL  91          2HG1      VAL  91 -13.518   5.072  -2.681
  686   3HG1  VAL  91          3HG1      VAL  91 -12.426   6.430  -2.327
  687   1HG2  VAL  91          1HG2      VAL  91 -14.660   8.092   0.159
  688   2HG2  VAL  91          2HG2      VAL  91 -13.419   6.907   0.575
  689   3HG2  VAL  91          3HG2      VAL  91 -13.070   8.150  -0.637
  690    H    VAL  92           H        VAL  92 -15.869   9.589  -1.531
  691    HA   VAL  92           HA       VAL  92 -18.482   8.829  -0.613
  692    HB   VAL  92           HB       VAL  92 -17.096  11.488  -1.138
  693   1HG1  VAL  92          1HG1      VAL  92 -19.417  12.044  -1.364
  694   2HG1  VAL  92          2HG1      VAL  92 -19.868  11.051   0.046
  695   3HG1  VAL  92          3HG1      VAL  92 -18.915  12.540   0.245
  696   1HG2  VAL  92          1HG2      VAL  92 -16.281  10.079   0.784
  697   2HG2  VAL  92          2HG2      VAL  92 -16.987  11.607   1.306
  698   3HG2  VAL  92          3HG2      VAL  92 -17.920  10.104   1.460
  699    H    GLU  93           H        GLU  93 -17.309  10.257  -3.741
  700    HA   GLU  93           HA       GLU  93 -19.943  10.548  -4.831
  701   1HB   GLU  93          2HB       GLU  93 -17.840  11.644  -5.695
  702   2HB   GLU  93          3HB       GLU  93 -17.354  10.079  -6.374
  703   1HG   GLU  93          2HG       GLU  93 -19.540  10.034  -7.641
  704   2HG   GLU  93          3HG       GLU  93 -19.916  11.633  -7.001
  705    H    LYS  94           H        LYS  94 -17.494   7.885  -5.143
  706    HA   LYS  94           HA       LYS  94 -19.181   6.200  -6.731
  707   1HB   LYS  94          2HB       LYS  94 -16.852   5.552  -4.884
  708   2HB   LYS  94          3HB       LYS  94 -17.642   4.368  -5.942
  709   1HG   LYS  94          2HG       LYS  94 -17.054   5.682  -7.936
  710   2HG   LYS  94          3HG       LYS  94 -16.366   6.952  -6.939
  711   1HD   LYS  94          2HD       LYS  94 -14.492   5.744  -7.686
  712   2HD   LYS  94          3HD       LYS  94 -14.725   5.251  -6.016
  713   1HE   LYS  94          2HE       LYS  94 -14.245   3.254  -7.166
  714   2HE   LYS  94          3HE       LYS  94 -15.992   3.198  -6.920
  715   1HZ   LYS  94          1HZ       LYS  94 -15.335   2.583  -9.185
  716   2HZ   LYS  94          2HZ       LYS  94 -16.276   3.915  -9.242
  717   3HZ   LYS  94          3HZ       LYS  94 -14.651   4.038  -9.438
  718    H    HIS  95           H        HIS  95 -19.038   6.618  -3.165
  719    HA   HIS  95           HA       HIS  95 -20.822   4.442  -2.620
  720   1HB   HIS  95          2HB       HIS  95 -19.447   5.505  -0.882
  721   2HB   HIS  95          3HB       HIS  95 -20.328   7.021  -1.081
  722    HD1  HIS  95           1HD      HIS  95 -21.366   3.328  -0.242
  723    HD2  HIS  95           2HD      HIS  95 -22.173   7.351   0.701
  724    HE1  HIS  95           1HE      HIS  95 -23.178   3.298   1.542
  725    H    GLN  96           H        GLN  96 -21.440   7.983  -3.212
  726    HA   GLN  96           HA       GLN  96 -24.273   7.748  -3.001
  727   1HB   GLN  96          2HB       GLN  96 -22.482   9.706  -4.476
  728   2HB   GLN  96          3HB       GLN  96 -24.239   9.868  -4.450
  729   1HG   GLN  96          2HG       GLN  96 -24.312  10.149  -2.074
  730   2HG   GLN  96          3HG       GLN  96 -22.625   9.668  -1.878
  731   1HE2  GLN  96          2HE2      GLN  96 -20.952  11.041  -2.792
  732   2HE2  GLN  96          1HE2      GLN  96 -21.224  12.774  -2.980
  733    H    ARG  97           H        ARG  97 -22.103   7.276  -5.819
  734    HA   ARG  97           HA       ARG  97 -24.181   6.798  -7.756
  735   1HB   ARG  97          2HB       ARG  97 -21.268   5.904  -7.609
  736   2HB   ARG  97          3HB       ARG  97 -22.299   5.632  -9.009
  737   1HG   ARG  97          2HG       ARG  97 -22.587   8.029  -9.362
  738   2HG   ARG  97          3HG       ARG  97 -21.605   8.392  -7.936
  739   1HD   ARG  97          2HD       ARG  97 -19.678   7.189  -8.951
  740   2HD   ARG  97          3HD       ARG  97 -20.638   6.842 -10.389
  741    HE   ARG  97           HE       ARG  97 -19.325   9.348  -9.645
  742   1HH1  ARG  97          1HH2      ARG  97 -21.851   7.986 -11.766
  743   2HH1  ARG  97          2HH2      ARG  97 -21.754   9.287 -12.893
  744   1HH2  ARG  97          1HH1      ARG  97 -19.194  10.954 -11.034
  745   2HH2  ARG  97          2HH1      ARG  97 -20.180  11.072 -12.479
  746    H    ASN  98           H        ASN  98 -23.411   4.940  -5.030
  747    HA   ASN  98           HA       ASN  98 -23.527   2.819  -4.401
  748   1HB   ASN  98          2HB       ASN  98 -25.940   3.188  -4.847
  749   2HB   ASN  98          3HB       ASN  98 -25.733   2.512  -6.467
  750   1HD2  ASN  98          2HD2      ASN  98 -24.920   1.624  -3.016
  751   2HD2  ASN  98          1HD2      ASN  98 -25.377  -0.046  -3.201
  752    H    GLU  99           H        GLU  99 -21.482   3.432  -6.040
  753    HA   GLU  99           HA       GLU  99 -21.053   1.073  -7.810
  754   1HB   GLU  99          2HB       GLU  99 -21.068   3.367  -8.822
  755   2HB   GLU  99          3HB       GLU  99 -19.685   3.788  -7.804
  756   1HG   GLU  99          2HG       GLU  99 -18.367   1.960  -8.883
  757   2HG   GLU  99          3HG       GLU  99 -19.765   1.556  -9.885
  758    H    LEU 100           H        LEU 100 -19.926   2.867  -4.977
  759    HA   LEU 100           HA       LEU 100 -17.354   1.588  -4.760
  760   1HB   LEU 100          2HB       LEU 100 -17.981   3.698  -3.560
  761   2HB   LEU 100          3HB       LEU 100 -19.127   2.779  -2.581
  762    HG   LEU 100           HG       LEU 100 -17.222   1.448  -1.658
  763   1HD1  LEU 100          1HD1      LEU 100 -15.502   3.392  -3.263
  764   2HD1  LEU 100          2HD1      LEU 100 -14.902   2.334  -1.967
  765   3HD1  LEU 100          3HD1      LEU 100 -15.561   1.620  -3.435
  766   1HD2  LEU 100          1HD2      LEU 100 -16.990   4.465  -1.363
  767   2HD2  LEU 100          2HD2      LEU 100 -18.069   3.394  -0.447
  768   3HD2  LEU 100          3HD2      LEU 100 -16.319   3.261  -0.240
  769    H    LEU 101           H        LEU 101 -20.653   0.777  -3.568
  770    HA   LEU 101           HA       LEU 101 -19.751  -1.347  -1.918
  771   1HB   LEU 101          2HB       LEU 101 -22.204  -0.094  -2.367
  772   2HB   LEU 101          3HB       LEU 101 -22.494  -1.750  -2.900
  773    HG   LEU 101           HG       LEU 101 -21.271  -0.991  -0.211
  774   1HD1  LEU 101          1HD1      LEU 101 -23.474  -1.521   0.741
  775   2HD1  LEU 101          2HD1      LEU 101 -23.578  -0.180  -0.411
  776   3HD1  LEU 101          3HD1      LEU 101 -24.126  -1.802  -0.892
  777   1HD2  LEU 101          1HD2      LEU 101 -22.328  -3.659  -1.257
  778   2HD2  LEU 101          2HD2      LEU 101 -20.637  -3.270  -0.872
  779   3HD2  LEU 101          3HD2      LEU 101 -21.835  -3.336   0.420
  780    HA   PRO 102           HA       PRO 102 -20.561  -4.291  -5.761
  781   1HB   PRO 102          2HB       PRO 102 -19.805  -2.159  -7.787
  782   2HB   PRO 102          3HB       PRO 102 -20.732  -3.669  -8.047
  783   1HG   PRO 102          2HG       PRO 102 -22.030  -1.317  -7.748
  784   2HG   PRO 102          3HG       PRO 102 -22.636  -2.776  -6.901
  785   1HD   PRO 102          2HD       PRO 102 -21.057  -0.480  -5.774
  786   2HD   PRO 102          3HD       PRO 102 -22.386  -1.408  -5.046
  787    H    LEU 103           H        LEU 103 -18.113  -1.604  -5.977
  788    HA   LEU 103           HA       LEU 103 -15.945  -3.297  -6.756
  789   1HB   LEU 103          2HB       LEU 103 -15.846  -0.922  -7.103
  790   2HB   LEU 103          3HB       LEU 103 -16.088  -0.590  -5.391
  791    HG   LEU 103           HG       LEU 103 -13.892  -1.499  -4.836
  792   1HD1  LEU 103          1HD1      LEU 103 -13.556  -3.180  -6.627
  793   2HD1  LEU 103          2HD1      LEU 103 -13.496  -1.886  -7.842
  794   3HD1  LEU 103          3HD1      LEU 103 -12.228  -2.020  -6.602
  795   1HD2  LEU 103          1HD2      LEU 103 -13.760   0.531  -7.099
  796   2HD2  LEU 103          2HD2      LEU 103 -14.169   0.892  -5.404
  797   3HD2  LEU 103          3HD2      LEU 103 -12.563   0.277  -5.811
  798    H    LEU 104           H        LEU 104 -17.127  -2.285  -3.513
  799    HA   LEU 104           HA       LEU 104 -15.035  -3.582  -2.038
  800   1HB   LEU 104          2HB       LEU 104 -17.880  -2.773  -1.323
  801   2HB   LEU 104          3HB       LEU 104 -16.771  -3.487  -0.170
  802    HG   LEU 104           HG       LEU 104 -16.063  -0.934  -1.672
  803   1HD1  LEU 104          1HD1      LEU 104 -16.775   0.256   0.409
  804   2HD1  LEU 104          2HD1      LEU 104 -18.129  -0.503  -0.446
  805   3HD1  LEU 104          3HD1      LEU 104 -17.469  -1.266   1.010
  806   1HD2  LEU 104          1HD2      LEU 104 -14.176  -2.144  -0.613
  807   2HD2  LEU 104          2HD2      LEU 104 -14.501  -0.600   0.180
  808   3HD2  LEU 104          3HD2      LEU 104 -15.039  -2.111   0.938
  809    H    GLN 105           H        GLN 105 -18.258  -4.712  -3.165
  810    HA   GLN 105           HA       GLN 105 -18.124  -7.250  -1.889
  811   1HB   GLN 105          2HB       GLN 105 -19.571  -6.278  -4.386
  812   2HB   GLN 105          3HB       GLN 105 -19.769  -7.909  -3.754
  813   1HG   GLN 105          2HG       GLN 105 -20.291  -5.470  -2.016
  814   2HG   GLN 105          3HG       GLN 105 -21.510  -6.134  -3.098
  815   1HE2  GLN 105          1HE2      GLN 105 -22.416  -8.227  -2.676
  816   2HE2  GLN 105          2HE2      GLN 105 -22.244  -8.973  -1.101
  817    H    ASP 106           H        ASP 106 -17.014  -6.117  -5.093
  818    HA   ASP 106           HA       ASP 106 -16.067  -8.630  -6.030
  819   1HB   ASP 106          2HB       ASP 106 -16.430  -6.749  -7.521
  820   2HB   ASP 106          3HB       ASP 106 -15.178  -5.806  -6.712
  821    H    ALA 107           H        ALA 107 -14.463  -6.064  -4.116
  822    HA   ALA 107           HA       ALA 107 -11.945  -7.460  -3.867
  823   1HB   ALA 107          1HB       ALA 107 -11.452  -5.725  -2.210
  824   2HB   ALA 107          2HB       ALA 107 -12.227  -5.006  -3.634
  825   3HB   ALA 107          3HB       ALA 107 -13.164  -5.256  -2.144
  826    H    ALA 108           H        ALA 108 -14.942  -8.276  -2.650
  827    HA   ALA 108           HA       ALA 108 -15.838  -9.333  -0.927
  828   1HB   ALA 108          1HB       ALA 108 -14.712 -11.303  -0.046
  829   2HB   ALA 108          2HB       ALA 108 -14.446 -11.177  -1.793
  830   3HB   ALA 108          3HB       ALA 108 -13.149 -10.728  -0.660
  831    H    ALA 109           H        ALA 109 -14.669  -6.747  -0.387
  832    HA   ALA 109           HA       ALA 109 -13.446  -6.770   2.260
  833   1HB   ALA 109          1HB       ALA 109 -13.679  -4.334   2.066
  834   2HB   ALA 109          2HB       ALA 109 -13.005  -5.004   0.561
  835   3HB   ALA 109          3HB       ALA 109 -14.707  -4.518   0.628
  836    H    THR 110           H        THR 110 -16.730  -6.105   0.885
  837    HA   THR 110           HA       THR 110 -17.879  -5.698   3.547
  838    HB   THR 110           HB       THR 110 -19.990  -5.557   1.961
  839    HG1  THR 110           1HG      THR 110 -19.323  -6.242   0.044
  840   1HG2  THR 110          1HG2      THR 110 -17.667  -3.595   1.850
  841   2HG2  THR 110          2HG2      THR 110 -19.313  -3.240   1.279
  842   3HG2  THR 110          3HG2      THR 110 -19.018  -3.585   2.995
  843    H    ALA 111           H        ALA 111 -17.791  -8.178   1.044
  844    HA   ALA 111           HA       ALA 111 -18.607 -10.261   0.853
  845   1HB   ALA 111          1HB       ALA 111 -17.797 -10.431   3.780
  846   2HB   ALA 111          2HB       ALA 111 -17.955 -11.786   2.642
  847   3HB   ALA 111          3HB       ALA 111 -16.698 -10.566   2.388
  848    H    LYS 112           H        LYS 112 -20.726  -8.375   1.343
  849    HA   LYS 112           HA       LYS 112 -22.681  -9.635   3.125
  850   1HB   LYS 112          2HB       LYS 112 -22.783  -7.414   1.040
  851   2HB   LYS 112          3HB       LYS 112 -24.262  -8.083   1.739
  852   1HG   LYS 112          2HG       LYS 112 -23.538  -7.555   3.995
  853   2HG   LYS 112          3HG       LYS 112 -21.984  -6.932   3.403
  854   1HD   LYS 112          2HD       LYS 112 -23.007  -5.038   2.368
  855   2HD   LYS 112          3HD       LYS 112 -24.613  -5.771   2.420
  856   1HE   LYS 112          2HE       LYS 112 -24.474  -4.008   4.083
  857   2HE   LYS 112          3HE       LYS 112 -24.721  -5.581   4.842
  858   1HZ   LYS 112          1HZ       LYS 112 -22.341  -5.608   5.384
  859   2HZ   LYS 112          2HZ       LYS 112 -22.141  -4.116   4.706
  860   3HZ   LYS 112          3HZ       LYS 112 -23.081  -4.308   6.025
  861    H    ASN 113           H        ASN 113 -21.409 -10.468   0.098
  862    HA   ASN 113           HA       ASN 113 -23.319 -12.630  -0.147
  863   1HB   ASN 113          2HB       ASN 113 -24.012 -10.619  -1.760
  864   2HB   ASN 113          3HB       ASN 113 -22.569 -11.082  -2.669
  865   1HD2  ASN 113          2HD2      ASN 113 -23.830 -11.689  -4.515
  866   2HD2  ASN 113          1HD2      ASN 113 -24.823 -13.141  -4.497
  867    HA   PRO 114           HA       PRO 114 -19.087 -14.085  -0.725
  868   1HB   PRO 114          2HB       PRO 114 -19.460 -16.668  -1.633
  869   2HB   PRO 114          3HB       PRO 114 -19.673 -16.150   0.065
  870   1HG   PRO 114          2HG       PRO 114 -21.804 -16.474  -2.065
  871   2HG   PRO 114          3HG       PRO 114 -21.826 -17.069  -0.374
  872   1HD   PRO 114          2HD       PRO 114 -23.080 -14.782  -1.077
  873   2HD   PRO 114          3HD       PRO 114 -22.214 -14.885   0.480
  874    H    ALA 115           H        ALA 115 -21.400 -14.040  -3.369
  875    HA   ALA 115           HA       ALA 115 -19.474 -14.400  -5.513
  876   1HB   ALA 115          1HB       ALA 115 -22.193 -13.030  -5.574
  877   2HB   ALA 115          2HB       ALA 115 -21.280 -13.648  -6.958
  878   3HB   ALA 115          3HB       ALA 115 -21.943 -14.783  -5.771
  879    H    GLN 116           H        GLN 116 -19.312 -12.489  -7.137
  880    HA   GLN 116           HA       GLN 116 -17.758 -10.459  -5.801
  881   1HB   GLN 116          2HB       GLN 116 -18.537 -10.733  -8.740
  882   2HB   GLN 116          3HB       GLN 116 -17.277  -9.683  -8.099
  883   1HG   GLN 116          2HG       GLN 116 -17.267 -12.732  -8.088
  884   2HG   GLN 116          3HG       GLN 116 -16.272 -11.664  -9.070
  885   1HE2  GLN 116          2HE2      GLN 116 -14.834 -10.055  -7.779
  886   2HE2  GLN 116          1HE2      GLN 116 -14.169 -10.606  -6.264
  887    H    LEU 117           H        LEU 117 -21.087 -10.559  -6.170
  888    HA   LEU 117           HA       LEU 117 -21.352  -7.684  -5.800
  889   1HB   LEU 117          2HB       LEU 117 -21.613  -8.021  -8.261
  890   2HB   LEU 117          3HB       LEU 117 -22.872  -9.211  -7.975
  891    HG   LEU 117           HG       LEU 117 -23.594  -6.921  -8.699
  892   1HD1  LEU 117          1HD1      LEU 117 -24.858  -7.668  -6.044
  893   2HD1  LEU 117          2HD1      LEU 117 -25.580  -6.801  -7.401
  894   3HD1  LEU 117          3HD1      LEU 117 -25.161  -8.511  -7.580
  895   1HD2  LEU 117          1HD2      LEU 117 -23.678  -5.073  -7.155
  896   2HD2  LEU 117          2HD2      LEU 117 -22.954  -6.040  -5.858
  897   3HD2  LEU 117          3HD2      LEU 117 -22.000  -5.625  -7.302