*HEADER    HYDROLASE REGULATOR                     20-DEC-12   2M2F              
*TITLE     THE MEMBRAN-PROXIMAL DOMAIN OF ADAM17                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DISINTEGRIN AND METALLOPROTEINASE DOMAIN-CONTAINING PROTEIN
*COMPND   3 17;                                                                  
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: UNP RESIDUES 581-642;                                      
*COMPND   6 SYNONYM: ADAM 17, SNAKE VENOM-LIKE PROTEASE, TNF-ALPHA CONVERTASE,   
*COMPND   7 TNF-ALPHA-CONVERTING ENZYME;                                         
*COMPND   8 EC: 3.4.24.86;                                                       
*COMPND   9 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: ADAM17, CSVP, TACE;                                            
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET28                                     
*KEYWDS    ADAM17, MEMBRANE-PROXIMAL DOMAIN, HYDROLASE REGULATOR, CLOSED         
*KEYWDS   2 CONFORMER                                                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.DUESTERHOEFT, S.JUNG, C.HUNG, A.THOLEY, F.D.SOENNICHSEN,            
*AUTHOR   2 J.GROETZINGER, I.LORENZEN                                            
*REVDAT   1   10-APR-13 2M2F    0                                                


21 LYS HG3 21 LYS H 4.09141365998 #peak 3
21 LYS HG2 21 LYS H 0.0 #peak 2
4 ARG HG3 4 ARG H 4.72420018109 #peak 5
4 ARG HG2 4 ARG H 0.0 #peak 4
21 LYS HD3 21 LYS H 3.7965761508 #peak 7
21 LYS HD2 21 LYS H 0.0 #peak 6
45 ARG HB3 45 ARG H 2.2 #peak 9
45 ARG HB2 45 ARG H 0.0 #peak 8
34 TYR QD 34 TYR H 4.62648790871 #peak 11
34 TYR QE 35 VAL H 4.73457545902 #peak 13
34 TYR QD 35 VAL H 4.15414822371 #peak 15
35 VAL QG1 39 GLN H 4.04305603483 #peak 17
35 VAL QG2 39 GLN H 0.0 #peak 16
25 ARG HD3 29 GLY H 4.582385303 #peak 19
25 ARG HD2 29 GLY H 0.0 #peak 18
9 GLU HB2 10 SER H 3.63938179988 #peak 23
9 GLU HB3 10 SER H 0.0 #peak 22
30 ARG HD3 30 ARG H 4.45815283426 #peak 25
30 ARG HD2 30 ARG H 0.0 #peak 24
9 GLU HG2 10 SER H 3.04338412203 #peak 27
9 GLU HG3 10 SER H 0.0 #peak 26
45 ARG HB2 46 LYS H 2.66734461406 #peak 29
45 ARG HB3 46 LYS H 0.0 #peak 28
25 ARG HD2 26 ASP H 3.92144522573 #peak 31
25 ARG HD3 26 ASP H 0.0 #peak 30
54 PHE HB2 55 CYSS H 2.79065387021 #peak 33
54 PHE HB3 55 CYSS H 0.0 #peak 32
3 GLU HG2 4 ARG H 4.49876187952 #peak 35
3 GLU HG3 4 ARG H 0.0 #peak 34
10 SER HB3 10 SER H 2.27416110816 #peak 37
10 SER HB2 10 SER H 0.0 #peak 36
55 CYSS HA 55 CYSS H 2.66080180035 #peak 39
54 PHE HA 55 CYSS H 0.0 #peak 38
25 ARG HB3 26 ASP H 3.21198147304 #peak 41
25 ARG HG2 26 ASP H 0.0 #peak 40
10 SER HB2 11 CYSS H 2.9507287621 #peak 43
10 SER HB3 11 CYSS H 0.0 #peak 42
27 LEU QD2 28 SER H 4.49305842502 #peak 45
27 LEU QD1 28 SER H 0.0 #peak 44
40 LYS HG2 41 ASN H 4.33932664817 #peak 47
40 LYS HG3 41 ASN H 0.0 #peak 46
5 GLU HG3 5 GLU H 2.88028793669 #peak 49
5 GLU HG2 5 GLU H 0.0 #peak 48
7 GLN HG3 7 GLN H 2.84873339436 #peak 51
7 GLN HG2 7 GLN H 0.0 #peak 50
38 GLU HG3 38 GLU H 2.92578721989 #peak 53
38 GLU HG2 38 GLU H 0.0 #peak 52
6 GLN HB2 6 GLN H 2.68109083414 #peak 55
6 GLN HG2 6 GLN H 0.0 #peak 54
39 GLN HB3 39 GLN H 3.15630511365 #peak 57
39 GLN HB2 39 GLN H 0.0 #peak 56
42 LEU HB3 42 LEU H 3.13595719854 #peak 59
42 LEU HB2 42 LEU H 0.0 #peak 58
35 VAL QG1 41 ASN H 5.5 #peak 61
35 VAL QG2 41 ASN H 0.0 #peak 60
57 MET HG3 57 MET H 3.82760607646 #peak 63
57 MET HG2 57 MET H 0.0 #peak 62
2 CYSS HB3 2 CYSS H 3.00345214823 #peak 65
1 PHE HB3 2 CYSS H 0.0 #peak 64
24 CYSS HA 24 CYSS H 2.2 #peak 67
23 CYSS HA 24 CYSS H 0.0 #peak 66
14 ASN HB3 14 ASN H 3.191933735 #peak 69
14 ASN HB2 14 ASN H 0.0 #peak 68
1 PHE QD 2 CYSS H 3.59041871589 #peak 71
27 LEU HB3 27 LEU H 2.29767384201 #peak 73
27 LEU HG 27 LEU H 0.0 #peak 72
39 GLN HG3 39 GLN H 2.88310692017 #peak 75
39 GLN HG2 39 GLN H 0.0 #peak 74
18 ASN HB3 18 ASN H 2.78172346995 #peak 77
17 ASP HB3 18 ASN H 0.0 #peak 76
19 SER HA 19 SER H 2.61956071764 #peak 79
19 SER HB2 19 SER H 0.0 #peak 78
24 CYSS HB2 24 CYSS H 2.95114872443 #peak 81
23 CYSS HB3 24 CYSS H 0.0 #peak 80
27 LEU QD1 27 LEU H 3.74151009798 #peak 83
27 LEU QD2 27 LEU H 0.0 #peak 82
4 ARG HG2 5 GLU H 4.78385171269 #peak 85
4 ARG HG3 5 GLU H 0.0 #peak 84
35 VAL QG1 36 ASP H 3.62692364948 #peak 87
35 VAL QG2 36 ASP H 0.0 #peak 86
35 VAL QG1 35 VAL H 3.08780659708 #peak 89
35 VAL QG2 35 VAL H 0.0 #peak 88
13 CYSS HB3 13 CYSS H 3.2158642741 #peak 91
23 CYSS HB3 13 CYSS H 0.0 #peak 90
35 VAL QG2 41 ASN HD22 4.56445460599 #peak 93
35 VAL QG1 41 ASN HD22 0.0 #peak 92
35 VAL QG1 41 ASN HD21 4.70521393765 #peak 95
35 VAL QG2 41 ASN HD21 0.0 #peak 94
40 LYS HG3 36 ASP H 4.59233320159 #peak 97
40 LYS HG2 36 ASP H 0.0 #peak 96
34 TYR QE 36 ASP H 4.07460345589 #peak 99
25 ARG HB3 25 ARG H 2.63471230723 #peak 101
34 TYR QD 36 ASP H 5.5 #peak 103
25 ARG HG2 11 CYSS H 5.5 #peak 105
25 ARG HB3 11 CYSS H 0.0 #peak 104
55 CYSS HB3 56 ASP H 2.83980177891 #peak 107
56 ASP HB3 56 ASP H 0.0 #peak 106
54 PHE HB3 54 PHE H 2.87005848542 #peak 109
54 PHE HB2 54 PHE H 0.0 #peak 108
62 GLU HB3 62 GLU H 3.0326532447 #peak 111
62 GLU HB2 62 GLU H 0.0 #peak 110
62 GLU HG3 62 GLU H 3.49748955738 #peak 113
62 GLU HG2 62 GLU H 0.0 #peak 112
25 ARG HD3 25 ARG H 4.37539258137 #peak 115
11 CYSS HB3 25 ARG H 0.0 #peak 114
48 LYS HB3 48 LYS H 2.29429530979 #peak 117
48 LYS HB2 48 LYS H 0.0 #peak 116
12 ALA HA 12 ALA H 2.5135928979 #peak 119
11 CYSS HA 12 ALA H 0.0 #peak 118
10 SER HB3 2 CYSS H 4.30483177462 #peak 120
59 GLY HA3 60 LYS H 4.06757183216 #peak 121
1 PHE HA 2 CYSS H 3.56788769512 #peak 122
59 GLY HA2 60 LYS H 3.9138182292 #peak 123
18 ASN HB2 19 SER H 4.53164422733 #peak 124
1 PHE HB2 2 CYSS H 3.6743226002 #peak 125
59 GLY H 60 LYS H 3.82545822331 #peak 126
56 ASP H 60 LYS H 4.64563001528 #peak 127
10 SER HA 2 CYSS H 4.96893642614 #peak 128
26 ASP HB3 27 LEU H 3.13205519541 #peak 129
8 LEU HB2 9 GLU H 4.19497633962 #peak 130
13 CYSS HB3 19 SER H 5.5 #peak 131
26 ASP HB2 27 LEU H 3.03365814325 #peak 132
13 CYSS HB2 19 SER H 4.96933763962 #peak 133
12 ALA H 13 CYSS H 5.30153173218 #peak 134
3 GLU H 2 CYSS H 3.07790893195 #peak 135
26 ASP HA 27 LEU H 2.41807896973 #peak 136
2 CYSS HB3 3 GLU H 3.78293491156 #peak 137
19 SER HB3 19 SER H 3.50205943139 #peak 138
40 LYS HA 41 ASN H 2.51898287583 #peak 139
40 LYS HB2 41 ASN H 2.97328734187 #peak 140
17 ASP HA 19 SER H 4.58257755069 #peak 141
28 SER H 30 ARG H 4.35472967362 #peak 142
26 ASP H 30 ARG H 3.53775392055 #peak 143
18 ASN HA 19 SER H 3.17772010046 #peak 144
20 CYSS H 19 SER H 3.84965663405 #peak 145
29 GLY HA3 30 ARG H 3.88037311894 #peak 146
22 VAL QG1 2 CYSS H 5.21013959179 #peak 147
23 CYSS HB2 24 CYSS H 3.17167248111 #peak 150
25 ARG H 24 CYSS H 4.50643986104 #peak 151
16 THR HA 19 SER H 3.93780546176 #peak 152
11 CYSS HB3 24 CYSS H 5.16499352485 #peak 153
32 VAL QG2 24 CYSS H 3.83830640415 #peak 154
3 GLU HB3 4 ARG H 3.10581660583 #peak 155
47 GLY HA3 48 LYS H 3.89609030826 #peak 156
3 GLU H 4 ARG H 3.31899444606 #peak 157
55 CYSS HB2 48 LYS H 3.95278713785 #peak 158
21 LYS HA 22 VAL H 2.8761761149 #peak 159
36 ASP HB2 37 ALA H 3.08916613573 #peak 160
14 ASN HB3 15 GLU H 3.2022010465 #peak 161
47 GLY HA2 48 LYS H 3.78819479585 #peak 162
13 CYSS HB3 15 GLU H 4.02351266095 #peak 163
46 LYS HA 48 LYS H 3.4952939313 #peak 164
13 CYSS HB2 15 GLU H 3.30797303609 #peak 165
43 PHE HA 22 VAL H 4.13167283604 #peak 166
48 LYS H 55 CYSS H 4.07401111916 #peak 167
41 ASN H 42 LEU H 5.43580603381 #peak 168
9 GLU HA 10 SER H 2.46630337812 #peak 169
45 ARG HA 46 LYS H 2.54685019746 #peak 170
11 CYSS H 10 SER H 4.82228407087 #peak 171
50 CYSS H 55 CYSS H 4.6464696466 #peak 172
41 ASN HB3 42 LEU H 3.69857510648 #peak 173
39 GLN HA 40 LYS H 3.07029472824 #peak 174
41 ASN HB2 42 LEU H 3.12960153165 #peak 175
55 CYSS HB3 48 LYS H 3.17195938587 #peak 176
41 ASN HA 42 LEU H 2.95241724267 #peak 177
54 PHE HA 50 CYSS H 3.33735046859 #peak 178
49 PRO HA 50 CYSS H 2.48736102264 #peak 179
23 CYSS HB2 13 CYSS H 3.7882621756 #peak 180
57 MET HB3 58 ASN H 3.89974797797 #peak 181
53 GLY H 50 CYSS H 3.76833871844 #peak 182
12 ALA HA 13 CYSS H 2.68055816198 #peak 183
23 CYSS HB2 11 CYSS H 4.74534204725 #peak 184
23 CYSS HB3 11 CYSS H 3.6606450945 #peak 185
10 SER HA 11 CYSS H 2.5602725769 #peak 186
13 CYSS HA 14 ASN H 3.91221390913 #peak 187
24 CYSS HA 11 CYSS H 3.44183439231 #peak 188
57 MET HA 58 ASN H 4.23672318695 #peak 189
6 GLN H 8 LEU H 4.5110451798 #peak 190
11 CYSS HB2 12 ALA H 3.18500675289 #peak 191
9 GLU H 8 LEU H 4.23061407029 #peak 192
11 CYSS HB3 12 ALA H 3.53163903986 #peak 193
3 GLU H 8 LEU H 5.26775980211 #peak 194
7 GLN HA 8 LEU H 2.77685532101 #peak 195
57 MET H 58 ASN H 3.77306441472 #peak 196
59 GLY H 58 ASN H 3.47057044796 #peak 197
19 SER HA 20 CYSS H 4.44417487876 #peak 198
12 ALA QB 13 CYSS H 4.17238874113 #peak 199
18 ASN HB3 13 CYSS H 4.55656704371 #peak 200
18 ASN HB3 19 SER H 4.07475075821 #peak 201
26 ASP H 27 LEU H 3.95348867254 #peak 202
37 ALA QB 38 GLU H 3.35689269138 #peak 203
36 ASP HB3 37 ALA H 3.08008238462 #peak 204
44 LEU HB2 45 ARG H 2.94433263202 #peak 205
40 LYS HB3 41 ASN H 3.58738377478 #peak 206
39 GLN H 40 LYS H 3.00013158385 #peak 207
25 ARG H 26 ASP H 4.23451976776 #peak 208
22 VAL QG2 23 CYSS H 3.88066072926 #peak 209
22 VAL H 21 LYS H 4.19803705996 #peak 210
36 ASP HA 37 ALA H 2.83059445608 #peak 211
29 GLY HA2 30 ARG H 3.93658318688 #peak 212
27 LEU HA 28 SER H 3.85027295509 #peak 213
44 LEU HA 45 ARG H 2.60455632143 #peak 214
51 THR H 52 VAL H 4.62500200832 #peak 215
53 GLY H 52 VAL H 2.89058286664 #peak 216
51 THR HB 52 VAL H 3.45754883953 #peak 217
52 VAL HB 53 GLY H 4.98720763615 #peak 218
52 VAL QG2 53 GLY H 4.96341798007 #peak 219
52 VAL QG1 53 GLY H 4.53476628944 #peak 220
58 ASN HB2 59 GLY H 4.16965235483 #peak 221
58 ASN HB3 59 GLY H 4.22091301203 #peak 222
60 LYS H 58 ASN H 4.2334157931 #peak 223
51 THR HA 52 VAL H 4.08475852739 #peak 224
51 THR QG2 52 VAL H 4.15696554915 #peak 225
58 ASN HA 59 GLY H 3.52210076912 #peak 226
20 CYSS H 21 LYS H 3.0686231766 #peak 227
55 CYSS HB2 47 GLY H 4.56097317367 #peak 228
55 CYSS HB3 47 GLY H 3.90430463382 #peak 229
52 VAL QG1 61 CYSS H 5.5 #peak 230
13 CYSS HA 15 GLU H 3.72665756943 #peak 231
15 GLU HG3 18 ASN H 4.73591667229 #peak 232
13 CYSS HB3 18 ASN H 5.42439450299 #peak 233
29 GLY H 30 ARG H 2.99356255472 #peak 234
28 SER H 27 LEU H 3.81666710572 #peak 235
25 ARG HG3 29 GLY H 5.39385011538 #peak 236
25 ARG HB2 11 CYSS H 5.5 #peak 237
18 ASN H 19 SER H 3.08052253317 #peak 238
18 ASN HB2 13 CYSS H 4.86720764453 #peak 239
56 ASP HA 48 LYS H 4.75178631372 #peak 240
43 PHE HA 21 LYS H 5.35010317585 #peak 241
52 VAL QG1 54 PHE H 5.5 #peak 242
23 CYSS HB3 34 TYR H 4.71289163463 #peak 243
20 CYSS HA 21 LYS H 3.22214425415 #peak 244
20 CYSS HB2 21 LYS H 4.1603282899 #peak 245
20 CYSS HB3 21 LYS H 4.5060507161 #peak 246
8 LEU HB3 9 GLU H 3.20747796522 #peak 247
23 CYSS HA 13 CYSS H 5.5 #peak 248
54 PHE HA 48 LYS H 5.5 #peak 249
8 LEU QD1 9 GLU H 5.4229344185 #peak 250
8 LEU QD2 9 GLU H 4.21007948338 #peak 251
8 LEU HG 9 GLU H 4.16092960032 #peak 252
20 CYSS H 18 ASN H 5.232426121 #peak 253
15 GLU H 18 ASN H 4.81802448755 #peak 254
17 ASP HA 18 ASN H 3.6572183741 #peak 255
55 CYSS HA 47 GLY H 5.19619791562 #peak 256
56 ASP HA 47 GLY H 4.67592019356 #peak 257
46 LYS HA 47 GLY H 2.68978118978 #peak 258
15 GLU HB2 18 ASN H 3.59952185099 #peak 259
15 GLU HB3 18 ASN H 3.25180773433 #peak 260
6 GLN H 7 GLN H 3.02146749036 #peak 261
16 THR HA 18 ASN H 4.59926582369 #peak 262
13 CYSS HB2 18 ASN H 4.4711237712 #peak 263
17 ASP HB2 18 ASN H 3.13650825277 #peak 264
48 LYS H 47 GLY H 3.60988034744 #peak 265
51 THR QG2 19 SER H 4.6440996411 #peak 266
29 GLY H 28 SER H 2.64012630151 #peak 267
29 GLY HA2 28 SER H 4.48727643051 #peak 268
17 ASP HB2 19 SER H 4.7881015997 #peak 269
15 GLU HB2 19 SER H 5.5 #peak 270
15 GLU HB3 19 SER H 4.89095558263 #peak 271
27 LEU HB3 28 SER H 3.48468509108 #peak 272
27 LEU HB2 28 SER H 3.60298649108 #peak 273
46 LYS H 47 GLY H 4.71084113112 #peak 274
29 GLY HA3 28 SER H 4.58862457049 #peak 275
26 ASP HB2 28 SER H 4.05734044278 #peak 276
26 ASP HB3 28 SER H 4.62119427337 #peak 277
6 GLN HA 7 GLN H 4.16221769892 #peak 278
35 VAL HB 39 GLN H 3.91411201729 #peak 279
50 CYSS HA 51 THR H 3.52989346463 #peak 280
51 THR HB 51 THR H 3.53875931853 #peak 281
38 GLU HA 39 GLN H 3.58142494967 #peak 282
37 ALA HA 39 GLN H 4.19962364581 #peak 283
38 GLU HB3 39 GLN H 3.65543818356 #peak 284
28 SER HA 29 GLY H 3.42443646139 #peak 285
27 LEU HA 29 GLY H 3.55070324784 #peak 286
52 VAL HA 53 GLY H 3.38955505544 #peak 287
50 CYSS HB2 51 THR H 3.41462522672 #peak 288
50 CYSS HB3 51 THR H 3.41211093042 #peak 289
26 ASP H 29 GLY H 4.1302587911 #peak 290
38 GLU H 39 GLN H 2.52669319903 #peak 291
6 GLN H 5 GLU H 3.44424574235 #peak 292
4 ARG HA 5 GLU H 3.61514251605 #peak 293
56 ASP HA 57 MET H 3.15320083462 #peak 294
3 GLU HA 7 GLN H 3.92556062081 #peak 295
6 GLN HB3 7 GLN H 4.7642176485 #peak 296
7 GLN H 5 GLU H 4.94050559546 #peak 297
7 GLN HA 6 GLN H 3.50424317252 #peak 298
2 CYSS HA 6 GLN H 3.60976359117 #peak 299
5 GLU HB2 6 GLN H 3.33756609406 #peak 300
56 ASP HB2 57 MET H 3.59522199418 #peak 301
56 ASP HB3 57 MET H 3.8533441696 #peak 302
5 GLU HA 6 GLN H 3.98221038398 #peak 303
2 CYSS HA 3 GLU H 4.06573907739 #peak 304
8 LEU HB2 8 LEU H 2.88324072722 #peak 305
11 CYSS HA 11 CYSS H 3.045784442 #peak 306
11 CYSS HB2 11 CYSS H 4.41773445342 #peak 307
8 LEU HA 8 LEU H 2.96285171473 #peak 308
8 LEU HB3 8 LEU H 3.21285858638 #peak 309
8 LEU HG 8 LEU H 4.40643343215 #peak 310
50 CYSS HB3 50 CYSS H 3.26662391889 #peak 311
58 ASN HA 58 ASN H 3.25646773773 #peak 312
58 ASN HB2 58 ASN H 3.90271492659 #peak 313
11 CYSS HB3 11 CYSS H 4.04152700498 #peak 314
50 CYSS HA 50 CYSS H 2.7681526005 #peak 315
50 CYSS HB2 50 CYSS H 3.58609012323 #peak 316
37 ALA QB 37 ALA H 3.14921092392 #peak 317
4 ARG HA 4 ARG H 2.66397157731 #peak 318
4 ARG HB2 4 ARG H 2.99664394766 #peak 319
4 ARG HB3 4 ARG H 2.69666998038 #peak 320
43 PHE HB3 43 PHE H 2.30482623876 #peak 321
21 LYS HA 21 LYS H 2.9856065113 #peak 322
21 LYS HB3 21 LYS H 2.61006152752 #peak 323
15 GLU HB2 15 GLU H 2.84215697817 #peak 325
15 GLU HB3 15 GLU H 3.01999773226 #peak 326
15 GLU HA 15 GLU H 2.53833242169 #peak 327
37 ALA HA 37 ALA H 3.0822469271 #peak 328
28 SER HB2 28 SER H 2.54005924895 #peak 330
47 GLY HA2 47 GLY H 3.44021540482 #peak 331
47 GLY HA3 47 GLY H 3.25530664249 #peak 332
41 ASN HB3 41 ASN H 2.44770322234 #peak 333
28 SER HA 28 SER H 2.71214754838 #peak 334
28 SER HB3 28 SER H 2.62905021108 #peak 335
5 GLU HA 5 GLU H 3.05392598361 #peak 336
5 GLU HB3 5 GLU H 2.81794751112 #peak 337
5 GLU HB2 5 GLU H 3.73444205283 #peak 338
18 ASN HA 18 ASN H 2.797466915 #peak 339
18 ASN HB2 18 ASN H 3.00046381965 #peak 340
7 GLN HA 7 GLN H 2.42442084445 #peak 341
41 ASN HB2 41 ASN H 2.89569419702 #peak 342
20 CYSS HB3 20 CYSS H 3.60843604366 #peak 343
38 GLU HA 38 GLU H 2.52873560781 #peak 344
27 LEU HA 27 LEU H 2.60319599802 #peak 345
58 ASN HB3 58 ASN H 3.13630452401 #peak 346
20 CYSS HA 20 CYSS H 3.01168355923 #peak 347
20 CYSS HB2 20 CYSS H 3.12586090212 #peak 348
2 CYSS HA 2 CYSS H 2.79932136208 #peak 349
24 CYSS HB3 24 CYSS H 3.11205158029 #peak 350
41 ASN HA 41 ASN H 2.93622781341 #peak 351
38 GLU HB3 38 GLU H 2.2 #peak 352
27 LEU HB2 27 LEU H 2.83080284349 #peak 353
14 ASN HA 14 ASN H 2.77055740498 #peak 354
43 PHE HB2 43 PHE H 2.76933944132 #peak 355
36 ASP HA 36 ASP H 2.79246829529 #peak 357
36 ASP HB2 36 ASP H 3.04197066204 #peak 358
26 ASP HB3 26 ASP H 2.73179954483 #peak 359
25 ARG HA 25 ARG H 3.03904687889 #peak 360
25 ARG HB2 25 ARG H 2.67356238776 #peak 361
31 CYSS HB3 31 CYSS H 4.46822800257 #peak 362
3 GLU HB3 3 GLU H 4.18299906183 #peak 363
30 ARG HA 30 ARG H 3.61681130473 #peak 364
36 ASP HB3 36 ASP H 3.0760450774 #peak 365
31 CYSS HA 31 CYSS H 4.0715408335 #peak 366
31 CYSS HB2 31 CYSS H 4.38876815857 #peak 367
26 ASP HB2 26 ASP H 3.04786981132 #peak 368
23 CYSS HB3 23 CYSS H 3.31783295704 #peak 369
35 VAL HA 35 VAL H 3.06421395395 #peak 370
35 VAL HB 35 VAL H 2.91536034792 #peak 371
62 GLU HA 62 GLU H 2.801235606 #peak 372
23 CYSS HA 23 CYSS H 3.29678672269 #peak 373
22 VAL HA 23 CYSS H 2.47739881364 #peak 374
34 TYR HB2 34 TYR H 3.07019529134 #peak 375
34 TYR HB3 34 TYR H 3.01679549864 #peak 376
26 ASP HA 26 ASP H 2.94819845052 #peak 377
56 ASP HA 56 ASP H 3.05880786786 #peak 378
56 ASP HB2 56 ASP H 3.31148544978 #peak 379
54 PHE HA 54 PHE H 3.24827811976 #peak 380
42 LEU HG 42 LEU H 4.21174391614 #peak 381
10 SER HA 10 SER H 3.00316862212 #peak 382
44 LEU HA 44 LEU H 2.41691779413 #peak 383
55 CYSS HB2 55 CYSS H 3.22576906898 #peak 384
55 CYSS HB3 55 CYSS H 3.06331676982 #peak 385
42 LEU HA 42 LEU H 4.05131100415 #peak 386
40 LYS HA 40 LYS H 2.95775846969 #peak 387
45 ARG HA 45 ARG H 2.74523188019 #peak 388
43 PHE HA 43 PHE H 2.59687348472 #peak 389
44 LEU HB3 44 LEU H 3.42665507393 #peak 390
44 LEU HB2 44 LEU H 3.47294573676 #peak 391
46 LYS HA 46 LYS H 3.31307869261 #peak 392
60 LYS HG3 60 LYS H 5.5 #peak 393
48 LYS HA 48 LYS H 3.08582102964 #peak 394
34 TYR HA 34 TYR H 3.13385325423 #peak 395
32 VAL HA 32 VAL H 2.59293339146 #peak 396
13 CYSS HA 13 CYSS H 3.81029204202 #peak 397
13 CYSS HB2 13 CYSS H 3.9175771058 #peak 398
12 ALA QB 12 ALA H 2.96362874178 #peak 399
60 LYS HB2 60 LYS H 3.71055434733 #peak 400
60 LYS HB3 60 LYS H 3.80455801676 #peak 401
60 LYS HG2 60 LYS H 5.37512215282 #peak 402
32 VAL HB 32 VAL H 3.9233208648 #peak 403
3 GLU HA 3 GLU H 3.80505203807 #peak 404
60 LYS HA 60 LYS H 3.83714556004 #peak 405
25 ARG HA 26 ASP H 2.20364737115 #peak 406
25 ARG HB2 26 ASP H 3.17199932978 #peak 407
25 ARG HG3 26 ASP H 3.59482056391 #peak 408
23 CYSS HB2 34 TYR H 5.35432900215 #peak 409
22 VAL HB 34 TYR H 3.62210647979 #peak 410
22 VAL QG1 34 TYR H 4.27848922182 #peak 411
24 CYSS HA 25 ARG H 2.76963331946 #peak 412
10 SER HA 25 ARG H 4.01392084758 #peak 413
8 LEU HA 25 ARG H 4.48222315595 #peak 414
32 VAL QG2 26 ASP H 4.1294079579 #peak 415
9 GLU H 25 ARG H 3.95076711523 #peak 416
11 CYSS H 25 ARG H 4.81556051898 #peak 417
33 PRO HA 34 TYR H 3.06938656599 #peak 418
55 CYSS HA 56 ASP H 2.54158678483 #peak 419
61 CYSS HA 56 ASP H 3.43434943857 #peak 420
60 LYS HA 56 ASP H 5.21818068713 #peak 421
53 GLY HA2 54 PHE H 3.11094828217 #peak 422
53 GLY HA3 54 PHE H 3.28816191041 #peak 423
62 GLU HG3 54 PHE H 5.5 #peak 424
24 CYSS H 34 TYR H 4.38838218774 #peak 425
35 VAL H 34 TYR H 5.07493804176 #peak 426
23 CYSS HA 34 TYR H 3.3850474502 #peak 427
55 CYSS HB2 56 ASP H 3.38214934428 #peak 428
60 LYS HB2 56 ASP H 4.52757626141 #peak 429
60 LYS HB3 56 ASP H 4.95816563509 #peak 430
41 ASN HA 36 ASP H 4.51819376781 #peak 431
35 VAL HA 36 ASP H 2.28743186885 #peak 432
39 GLN HA 36 ASP H 3.8912567465 #peak 433
60 LYS HG2 61 CYSS H 3.66643936475 #peak 434
60 LYS HG3 61 CYSS H 4.48637908261 #peak 435
35 VAL H 36 ASP H 4.43451704259 #peak 436
32 VAL H 31 CYSS H 4.7736569716 #peak 437
30 ARG H 31 CYSS H 5.5 #peak 438
30 ARG HA 31 CYSS H 2.74346754003 #peak 439
40 LYS HB3 36 ASP H 4.19463208897 #peak 440
40 LYS HB2 36 ASP H 5.19837964119 #peak 441
35 VAL HB 36 ASP H 3.54176288947 #peak 442
60 LYS HB3 61 CYSS H 3.29941749436 #peak 443
8 LEU HB2 25 ARG H 4.45662758158 #peak 444
8 LEU QD2 25 ARG H 5.11827301638 #peak 445
8 LEU QD1 25 ARG H 4.43284021982 #peak 446
11 CYSS HB2 25 ARG H 4.75510649667 #peak 447
24 CYSS HB2 25 ARG H 3.01994967507 #peak 448
24 CYSS HB3 25 ARG H 3.13364179666 #peak 449
23 CYSS HB3 32 VAL H 3.59720005976 #peak 450
60 LYS HA 61 CYSS H 2.25922786952 #peak 451
60 LYS HB2 61 CYSS H 3.56869146501 #peak 452
23 CYSS HA 32 VAL H 4.59262195152 #peak 453
31 CYSS HA 32 VAL H 2.35789119633 #peak 454
23 CYSS HB2 32 VAL H 4.221673867 #peak 455
53 GLY H 54 PHE H 4.42526673089 #peak 456
61 CYSS HA 61 CYSS H 3.27037420081 #peak 457
61 CYSS HB3 61 CYSS H 2.60634722544 #peak 458
61 CYSS HB2 61 CYSS H 2.90989346028 #peak 459
52 VAL HA 52 VAL H 3.02893961569 #peak 460
59 GLY HA2 59 GLY H 2.57130627881 #peak 461
59 GLY HA3 59 GLY H 2.74438373042 #peak 462
52 VAL HB 52 VAL H 3.66458211105 #peak 463
22 VAL HA 22 VAL H 3.17851698956 #peak 464
22 VAL HB 22 VAL H 2.56100713108 #peak 465
21 LYS HB2 21 LYS H 3.04095204991 #peak 466
40 LYS HB2 40 LYS H 2.55885083306 #peak 467
38 GLU HB2 38 GLU H 2.58421538407 #peak 468
53 GLY HA3 53 GLY H 2.62759640005 #peak 469
6 GLN HB3 6 GLN H 2.95054607827 #peak 470
6 GLN HG3 6 GLN H 3.04132539401 #peak 471
39 GLN HA 39 GLN H 2.2 #peak 472
57 MET HA 57 MET H 3.42947113234 #peak 473
57 MET HB3 57 MET H 2.80417879566 #peak 474
6 GLN HA 6 GLN H 3.00589737765 #peak 475
29 GLY HA2 29 GLY H 2.34683279845 #peak 476
29 GLY HA3 29 GLY H 2.22267174726 #peak 477
53 GLY HA2 53 GLY H 2.75940786004 #peak 478
14 ASN HD21 14 ASN HD22 2.64142761624 #peak 479
51 THR HA 51 THR H 3.483371231 #peak 480
14 ASN HD22 14 ASN HD21 2.77215584939 #peak 481
61 CYSS HA 62 GLU H 2.79168529733 #peak 482
22 VAL H 23 CYSS H 5.36974696768 #peak 483
21 LYS HA 23 CYSS H 4.73049871743 #peak 484
61 CYSS HB3 62 GLU H 4.14486709053 #peak 485
61 CYSS HB2 62 GLU H 3.89027878297 #peak 486
52 VAL QG1 62 GLU H 5.40660781831 #peak 487
34 TYR HB2 35 VAL H 3.81300337072 #peak 488
34 TYR HB3 35 VAL H 4.51162489765 #peak 489
62 GLU H 54 PHE H 3.63836314297 #peak 490
12 ALA HA 23 CYSS H 4.71454700643 #peak 491
22 VAL HB 23 CYSS H 4.79629818539 #peak 492
34 TYR HA 35 VAL H 2.46041781412 #peak 493
53 GLY HA3 62 GLU H 5.09776691695 #peak 494
42 LEU QD1 42 LEU H 5.5 #peak 495
52 VAL QG2 52 VAL H 3.84873429066 #peak 496
51 THR QG2 51 THR H 5.5 #peak 497
22 VAL QG1 22 VAL H 4.24456232859 #peak 498
22 VAL QG2 22 VAL H 3.45395114311 #peak 499
42 LEU QD2 42 LEU H 5.5 #peak 500
2 CYSS HB2 3 GLU H 3.49993762692 #peak 501
3 GLU HB2 3 GLU H 3.75949400067 #peak 502
55 CYSS HA 62 GLU H 3.75673156715 #peak 503
8 LEU QD1 8 LEU H 4.85814835267 #peak 504
8 LEU QD2 8 LEU H 4.722335943 #peak 505
2 CYSS HB2 2 CYSS H 3.50622105193 #peak 506
47 GLY HA3 54 PHE HB3 2.59373210453 #peak 3
47 GLY HA3 54 PHE HB2 0.0 #peak 2
34 TYR QD 42 LEU QD1 3.41996102603 #peak 5
34 TYR QE 42 LEU HG 3.66554687471 #peak 7
34 TYR QE 42 LEU QD2 4.23978409235 #peak 9
34 TYR QE 42 LEU QD1 3.13781952148 #peak 11
47 GLY HA2 54 PHE HB3 3.2121706114 #peak 13
47 GLY HA2 54 PHE HB2 0.0 #peak 12
34 TYR QE 36 ASP HB3 3.08706324273 #peak 15
34 TYR QE 36 ASP HB2 3.3449104807 #peak 17
1 PHE QD 22 VAL QG1 2.72107772001 #peak 19
34 TYR QD 42 LEU HG 3.32316568249 #peak 21
34 TYR QD 35 VAL HA 3.9321106577 #peak 23
34 TYR QD 36 ASP HB2 4.41631722544 #peak 25
34 TYR QE 35 VAL HA 4.21654793181 #peak 27
34 TYR QE 6 GLN HG2 4.44610871793 #peak 29
35 VAL QG1 39 GLN HA 2.56643155534 #peak 31
35 VAL QG2 39 GLN HA 0.0 #peak 30
8 LEU QD2 6 GLN HB3 4.5223530362 #peak 32
22 VAL QG1 1 PHE HB3 4.10250039257 #peak 33
22 VAL QG1 1 PHE HB2 4.05888304959 #peak 34
8 LEU QD2 6 GLN HB2 3.86849046975 #peak 35
36 ASP HA 37 ALA HA 3.16049020373 #peak 36
8 LEU QD1 6 GLN HG2 3.74282344264 #peak 37
34 TYR HD1 36 ASP HB3 3.75604782998 #peak 38
8 LEU QD2 6 GLN HG3 4.55842885399 #peak 39
18 ASN HB2 13 CYSS HB3 3.20260854889 #peak 40
17 ASP HA 16 THR QG2 3.41117922988 #peak 41
16 THR HB 16 THR QG2 2.71959269116 #peak 42
18 ASN HB3 13 CYSS HB2 2.88152433588 #peak 43
22 VAL QG1 34 TYR HB2 3.09605446089 #peak 44
22 VAL QG1 34 TYR HB3 3.29354050214 #peak 45
61 CYSS HB2 60 LYS HA 3.82598938997 #peak 46
22 VAL QG2 42 LEU QD1 3.38506874336 #peak 47
22 VAL QG1 42 LEU QD1 3.61829767894 #peak 48
22 VAL HB 42 LEU QD1 3.85922960756 #peak 49
34 TYR HD2 42 LEU QD2 5.16764802307 #peak 50
33 PRO HD3 32 VAL QG2 4.00569002925 #peak 51
1 PHE HA 5 GLU HG3 3.69388121882 #peak 52
33 PRO HD3 32 VAL QG1 3.8995299592 #peak 53
33 PRO HD2 32 VAL QG1 3.64074954499 #peak 54
8 LEU QD1 6 GLN HG3 3.36287241035 #peak 55
26 ASP HB3 32 VAL QG2 3.10316678909 #peak 56
39 GLN HA 35 VAL HB 2.97080008188 #peak 57
8 LEU QD2 6 GLN HG2 5.5 #peak 58
33 PRO HD2 32 VAL QG2 4.10444230394 #peak 59
34 TYR HD1 6 GLN HG2 4.2348470883 #peak 60
26 ASP HB2 32 VAL QG2 3.53751992443 #peak 61
24 CYSS HB2 8 LEU QD1 3.29424678664 #peak 62
24 CYSS HB3 8 LEU QD1 3.08969233971 #peak 63
12 ALA HA 23 CYSS HB3 3.95539972741 #peak 64
25 ARG HG3 11 CYSS HB3 3.89034278781 #peak 65
12 ALA HA 23 CYSS HB2 3.26871287323 #peak 66
24 CYSS HB3 8 LEU HB2 3.18055587393 #peak 67
8 LEU QD1 6 GLN HB2 3.20686455636 #peak 68
24 CYSS HB3 8 LEU HB3 3.19936929511 #peak 69
24 CYSS HB2 8 LEU HB3 2.94050475708 #peak 70
24 CYSS HB2 8 LEU HB2 3.33868962891 #peak 71
25 ARG HG3 11 CYSS HB2 3.83659688994 #peak 72
61 CYSS HB2 52 VAL QG1 3.56754851981 #peak 73
43 PHE HA 22 VAL QG2 5.44002178617 #peak 74
61 CYSS HB3 52 VAL QG1 3.96741811108 #peak 75
21 LYS HA 43 PHE HA 2.8141412993 #peak 76
10 SER HA 24 CYSS HA 2.55540039599 #peak 77
25 ARG HG2 11 CYSS HB3 3.75565488906 #peak 78
25 ARG HG2 11 CYSS HB2 3.17156891485 #peak 79
36 ASP HA 37 ALA QB 3.83956390714 #peak 80
21 LYS HA 22 VAL QG2 3.80873144667 #peak 81
44 LEU HA 22 VAL QG2 3.46493999106 #peak 82
52 VAL QG2 51 THR HB 3.30939267445 #peak 83
51 THR QG2 19 SER HB2 3.58297633879 #peak 86
51 THR QG2 19 SER HB3 3.43650673214 #peak 87
61 CYSS HB3 16 THR QG2 3.15647564362 #peak 88
16 THR HA 16 THR QG2 2.94887788175 #peak 89
61 CYSS HB2 16 THR QG2 3.35540669034 #peak 90
52 VAL QG1 16 THR QG2 2.85887792181 #peak 91
52 VAL QG2 16 THR QG2 3.97191066316 #peak 92
50 CYSS HB3 19 SER HB3 3.64691353475 #peak 93
20 CYSS HB2 59 GLY HA3 2.7980160922 #peak 94
20 CYSS HB2 59 GLY HA2 2.64753213535 #peak 95
20 CYSS HB3 59 GLY HA3 4.19740629154 #peak 96
8 LEU QD1 6 GLN HB3 3.28572932404 #peak 97
20 CYSS HB3 59 GLY HA2 2.96300381348 #peak 98
50 CYSS HB2 19 SER HB3 3.43510196047 #peak 99
50 CYSS HB3 19 SER HB2 5.00087386117 #peak 100
50 CYSS HB2 19 SER HB2 3.4078623183 #peak 101
50 CYSS HA 19 SER HB2 3.28989606993 #peak 102
50 CYSS HA 19 SER HB3 3.8895895523 #peak 103


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    PHE   1           1HT      PHE   1   6.504   5.695   4.613
    2    HA   PHE   1           HA       PHE   1   6.293   4.498   2.770
    3    HB2  PHE   1           2HB      PHE   1   4.508   2.625   2.717
    4    HB3  PHE   1           1HB      PHE   1   6.127   2.231   3.283
    5    HD1  PHE   1           2HD      PHE   1   6.462   2.006   5.781
    6    HD2  PHE   1           1HD      PHE   1   2.620   2.242   3.975
    7    HE1  PHE   1           2HE      PHE   1   5.470   1.002   7.790
    8    HE2  PHE   1           1HE      PHE   1   1.626   1.226   5.987
    9    HZ   PHE   1           HZ       PHE   1   3.044   0.609   7.890
   10    H    CYS   2           H        CYS   2   3.644   5.106   5.032
   11    HA   CYS   2           HA       CYS   2   2.655   6.874   2.962
   12    HB2  CYS   2           2HB      CYS   2   1.255   5.581   5.286
   13    HB3  CYS   2           1HB      CYS   2   0.545   6.916   4.388
   14    H    GLU   3           H        GLU   3   3.756   6.557   6.196
   15    HA   GLU   3           HA       GLU   3   2.919   8.906   7.434
   16    HB2  GLU   3           2HB      GLU   3   5.624   7.880   8.159
   17    HB3  GLU   3           1HB      GLU   3   4.294   8.336   9.194
   18    HG2  GLU   3           2HG      GLU   3   4.660   6.017   9.521
   19    HG3  GLU   3           1HG      GLU   3   3.198   6.144   8.541
   20    H    ARG   4           H        ARG   4   6.228   8.267   6.417
   21    HA   ARG   4           HA       ARG   4   7.110  10.868   6.670
   22    HB2  ARG   4           2HB      ARG   4   8.581   8.997   6.808
   23    HB3  ARG   4           1HB      ARG   4   8.169   8.490   5.182
   24    HG2  ARG   4           2HG      ARG   4   9.208  10.661   4.390
   25    HG3  ARG   4           1HG      ARG   4   9.845  10.830   6.032
   26    HD2  ARG   4           2HD      ARG   4  10.310   8.489   4.186
   27    HD3  ARG   4           1HD      ARG   4  11.473   9.759   4.547
   28    HE   ARG   4           HE       ARG   4  11.514   8.983   6.813
   29   HH11  ARG   4          1HH1      ARG   4   9.914   6.709   4.538
   30   HH12  ARG   4          2HH1      ARG   4  10.401   5.327   5.353
   31   HH21  ARG   4          1HH2      ARG   4  12.150   6.993   7.985
   32   HH22  ARG   4          2HH2      ARG   4  11.681   5.477   7.377
   33    H    GLU   5           H        GLU   5   6.551   8.859   3.811
   34    HA   GLU   5           HA       GLU   5   7.250  10.471   1.849
   35    HB2  GLU   5           2HB      GLU   5   5.253   8.237   1.939
   36    HB3  GLU   5           1HB      GLU   5   5.975   8.887   0.475
   37    HG2  GLU   5           2HG      GLU   5   7.294   6.933   0.991
   38    HG3  GLU   5           1HG      GLU   5   8.177   8.388   1.489
   39    H    GLN   6           H        GLN   6   3.815  10.279   3.171
   40    HA   GLN   6           HA       GLN   6   3.416  12.751   1.812
   41    HB2  GLN   6           2HB      GLN   6   1.148  11.645   0.944
   42    HB3  GLN   6           1HB      GLN   6   2.602  11.767  -0.053
   43    HG2  GLN   6           2HG      GLN   6   3.112   9.459   0.451
   44    HG3  GLN   6           1HG      GLN   6   1.719   9.361   1.545
   45   HE21  GLN   6          1HE2      GLN   6   0.692   7.755   0.301
   46   HE22  GLN   6          2HE2      GLN   6   0.038   8.118  -1.262
   47    H    GLN   7           H        GLN   7   3.387  11.456   4.464
   48    HA   GLN   7           HA       GLN   7   2.600  11.796   6.324
   49    HB2  GLN   7           2HB      GLN   7   1.275  14.168   5.036
   50    HB3  GLN   7           1HB      GLN   7   1.267  13.928   6.777
   51    HG2  GLN   7           2HG      GLN   7   3.805  13.897   5.235
   52    HG3  GLN   7           1HG      GLN   7   3.085  15.439   5.723
   53   HE21  GLN   7          1HE2      GLN   7   4.662  12.520   6.799
   54   HE22  GLN   7          2HE2      GLN   7   4.978  13.088   8.404
   55    H    LEU   8           H        LEU   8   1.033   9.992   4.774
   56    HA   LEU   8           HA       LEU   8  -1.633  10.350   5.917
   57    HB2  LEU   8           2HB      LEU   8  -0.663   8.461   3.815
   58    HB3  LEU   8           1HB      LEU   8  -2.208   8.274   4.600
   59    HG   LEU   8           HG       LEU   8  -2.818   9.186   2.713
   60   HD11  LEU   8          1HD1      LEU   8  -2.331  11.638   4.293
   61   HD12  LEU   8          2HD1      LEU   8  -3.693  10.506   4.307
   62   HD13  LEU   8          3HD1      LEU   8  -3.394  11.494   2.871
   63   HD21  LEU   8          3HD2      LEU   8  -0.234  10.712   2.527
   64   HD22  LEU   8          1HD2      LEU   8  -1.583  10.825   1.364
   65   HD23  LEU   8          2HD2      LEU   8  -0.819   9.268   1.690
   66    H    GLU   9           H        GLU   9  -2.595   8.448   6.566
   67    HA   GLU   9           HA       GLU   9  -1.045   6.737   8.336
   68    HB2  GLU   9           2HB      GLU   9  -3.386   7.765   8.771
   69    HB3  GLU   9           1HB      GLU   9  -3.884   6.641   7.505
   70    HG2  GLU   9           2HG      GLU   9  -3.269   4.760   8.887
   71    HG3  GLU   9           1HG      GLU   9  -2.797   5.870  10.185
   72    H    SER  10           H        SER  10  -1.153   4.381   7.849
   73    HA   SER  10           HA       SER  10  -1.152   3.809   5.078
   74    HB2  SER  10           2HB      SER  10  -0.253   1.781   5.905
   75    HB3  SER  10           1HB      SER  10   0.442   3.289   6.655
   76    HG   SER  10           HG       SER  10  -1.666   2.193   8.025
   77    H    CYS  11           H        CYS  11  -2.430   2.043   4.235
   78    HA   CYS  11           HA       CYS  11  -4.527   0.931   5.875
   79    HB2  CYS  11           2HB      CYS  11  -6.417   1.935   4.805
   80    HB3  CYS  11           1HB      CYS  11  -5.263   3.250   4.781
   81    H    ALA  12           H        ALA  12  -6.038  -0.371   3.948
   82    HA   ALA  12           HA       ALA  12  -4.094  -1.659   2.204
   83    HB1  ALA  12           1HB      ALA  12  -6.118  -3.017   3.970
   84    HB2  ALA  12           2HB      ALA  12  -4.367  -3.067   4.180
   85    HB3  ALA  12           3HB      ALA  12  -5.112  -3.834   2.772
   86    H    CYS  13           H        CYS  13  -4.831  -1.579   0.154
   87    HA   CYS  13           HA       CYS  13  -7.472  -0.752  -0.450
   88    HB2  CYS  13           2HB      CYS  13  -5.271  -1.870  -2.204
   89    HB3  CYS  13           1HB      CYS  13  -6.744  -1.130  -2.783
   90    H    ASN  14           H        ASN  14  -9.200  -1.884  -0.652
   91    HA   ASN  14           HA       ASN  14  -9.518  -4.566   0.015
   92    HB2  ASN  14           2HB      ASN  14 -11.297  -2.818   0.053
   93    HB3  ASN  14           1HB      ASN  14 -11.323  -2.884  -1.706
   94   HD21  ASN  14          1HD2      ASN  14 -12.402  -4.613  -2.726
   95   HD22  ASN  14          2HD2      ASN  14 -13.353  -5.739  -1.823
   96    H    GLU  15           H        GLU  15  -8.708  -3.178  -3.045
   97    HA   GLU  15           HA       GLU  15  -9.552  -5.235  -4.618
   98    HB2  GLU  15           2HB      GLU  15  -9.062  -2.882  -5.363
   99    HB3  GLU  15           1HB      GLU  15  -7.357  -3.231  -5.142
  100    HG2  GLU  15           2HG      GLU  15  -9.075  -4.717  -7.111
  101    HG3  GLU  15           1HG      GLU  15  -8.192  -3.245  -7.510
  102    H    THR  16           H        THR  16  -8.287  -7.067  -5.386
  103    HA   THR  16           HA       THR  16  -6.730  -8.414  -3.581
  104    HB   THR  16           HB       THR  16  -7.001  -8.764  -6.554
  105    HG1  THR  16           1HG      THR  16  -8.295  -9.798  -4.270
  106   HG21  THR  16          3HG2      THR  16  -6.132 -11.027  -6.256
  107   HG22  THR  16          1HG2      THR  16  -5.953 -10.773  -4.509
  108   HG23  THR  16          2HG2      THR  16  -4.962  -9.851  -5.639
  109    H    ASP  17           H        ASP  17  -5.573  -6.725  -6.474
  110    HA   ASP  17           HA       ASP  17  -2.960  -7.643  -5.964
  111    HB2  ASP  17           2HB      ASP  17  -3.671  -7.240  -8.229
  112    HB3  ASP  17           1HB      ASP  17  -4.019  -5.558  -7.779
  113    H    ASN  18           H        ASN  18  -4.777  -4.662  -5.491
  114    HA   ASN  18           HA       ASN  18  -2.484  -3.204  -4.726
  115    HB2  ASN  18           2HB      ASN  18  -5.383  -2.506  -4.888
  116    HB3  ASN  18           1HB      ASN  18  -4.252  -1.428  -4.076
  117   HD21  ASN  18          1HD2      ASN  18  -5.005  -2.991  -7.136
  118   HD22  ASN  18          2HD2      ASN  18  -4.125  -1.880  -8.117
  119    H    SER  19           H        SER  19  -4.215  -5.424  -3.171
  120    HA   SER  19           HA       SER  19  -4.042  -4.375  -0.534
  121    HB2  SER  19           2HB      SER  19  -4.161  -7.248  -1.545
  122    HB3  SER  19           1HB      SER  19  -4.076  -6.873   0.169
  123    HG   SER  19           HG       SER  19  -5.991  -5.517  -1.292
  124    H    CYS  20           H        CYS  20  -1.725  -5.540  -2.753
  125    HA   CYS  20           HA       CYS  20   0.277  -6.169  -0.767
  126    HB2  CYS  20           2HB      CYS  20   0.387  -6.121  -3.757
  127    HB3  CYS  20           1HB      CYS  20   1.595  -6.908  -2.769
  128    H    LYS  21           H        LYS  21  -0.760  -3.409  -2.238
  129    HA   LYS  21           HA       LYS  21   1.886  -2.053  -2.054
  130    HB2  LYS  21           2HB      LYS  21  -0.639  -1.418  -3.556
  131    HB3  LYS  21           1HB      LYS  21   0.665  -0.270  -3.310
  132    HG2  LYS  21           2HG      LYS  21   0.940  -1.057  -5.506
  133    HG3  LYS  21           1HG      LYS  21   2.130  -1.934  -4.549
  134    HD2  LYS  21           2HD      LYS  21   0.677  -3.903  -4.533
  135    HD3  LYS  21           1HD      LYS  21  -0.545  -3.013  -5.450
  136    HE2  LYS  21           2HE      LYS  21   1.080  -2.710  -7.284
  137    HE3  LYS  21           1HE      LYS  21   2.254  -3.660  -6.380
  138    HZ1  LYS  21           3HZ      LYS  21   1.112  -5.023  -8.060
  139    HZ2  LYS  21           1HZ      LYS  21  -0.362  -4.640  -7.428
  140    HZ3  LYS  21           2HZ      LYS  21   0.674  -5.589  -6.561
  141    H    VAL  22           H        VAL  22   1.842  -0.073  -1.701
  142    HA   VAL  22           HA       VAL  22   0.992   0.162   0.991
  143    HB   VAL  22           HB       VAL  22   2.701   1.948  -0.747
  144   HG11  VAL  22          1HG1      VAL  22   1.494   3.136   0.900
  145   HG12  VAL  22          2HG1      VAL  22   3.224   3.108   1.288
  146   HG13  VAL  22          3HG1      VAL  22   2.070   2.071   2.185
  147   HG21  VAL  22          3HG2      VAL  22   3.333  -0.072   1.406
  148   HG22  VAL  22          1HG2      VAL  22   4.499   1.009   0.628
  149   HG23  VAL  22          2HG2      VAL  22   3.605  -0.255  -0.302
  150    H    CYS  23           H        CYS  23  -0.883   0.587   1.056
  151    HA   CYS  23           HA       CYS  23  -1.950   2.871  -0.451
  152    HB2  CYS  23           2HB      CYS  23  -3.614   1.027   1.256
  153    HB3  CYS  23           1HB      CYS  23  -4.123   2.246   0.076
  154    H    CYS  24           H        CYS  24  -3.003   4.559   0.600
  155    HA   CYS  24           HA       CYS  24  -2.080   4.965   3.307
  156    HB2  CYS  24           2HB      CYS  24  -2.121   6.809   0.905
  157    HB3  CYS  24           1HB      CYS  24  -1.729   7.389   2.499
  158    H    ARG  25           H        ARG  25  -3.510   6.717   4.299
  159    HA   ARG  25           HA       ARG  25  -6.224   6.152   3.398
  160    HB2  ARG  25           2HB      ARG  25  -5.206   5.007   5.529
  161    HB3  ARG  25           1HB      ARG  25  -5.379   6.604   6.210
  162    HG2  ARG  25           2HG      ARG  25  -7.724   5.520   4.883
  163    HG3  ARG  25           1HG      ARG  25  -7.270   4.742   6.410
  164    HD2  ARG  25           2HD      ARG  25  -7.792   7.701   5.933
  165    HD3  ARG  25           1HD      ARG  25  -8.903   6.580   6.725
  166    HE   ARG  25           HE       ARG  25  -6.727   6.335   8.255
  167   HH11  ARG  25          1HH1      ARG  25  -8.242   9.288   7.035
  168   HH12  ARG  25          2HH1      ARG  25  -7.989  10.192   8.460
  169   HH21  ARG  25          1HH2      ARG  25  -6.297   7.527  10.157
  170   HH22  ARG  25          2HH2      ARG  25  -6.798   9.133  10.344
  171    H    ASP  26           H        ASP  26  -7.371   7.962   3.038
  172    HA   ASP  26           HA       ASP  26  -5.884  10.383   3.371
  173    HB2  ASP  26           2HB      ASP  26  -7.040  11.221   1.549
  174    HB3  ASP  26           1HB      ASP  26  -7.011   9.501   1.173
  175    H    LEU  27           H        LEU  27  -7.587  12.119   3.422
  176    HA   LEU  27           HA       LEU  27  -8.140  12.447   6.077
  177    HB2  LEU  27           2HB      LEU  27  -9.320  14.166   3.932
  178    HB3  LEU  27           1HB      LEU  27  -8.967  14.634   5.585
  179    HG   LEU  27           HG       LEU  27  -6.501  13.971   4.737
  180   HD11  LEU  27          1HD1      LEU  27  -7.851  15.039   2.276
  181   HD12  LEU  27          2HD1      LEU  27  -7.219  13.417   2.478
  182   HD13  LEU  27          3HD1      LEU  27  -6.118  14.797   2.482
  183   HD21  LEU  27          3HD2      LEU  27  -7.851  16.640   4.321
  184   HD22  LEU  27          1HD2      LEU  27  -6.109  16.376   4.400
  185   HD23  LEU  27          2HD2      LEU  27  -7.111  16.070   5.819
  186    H    SER  28           H        SER  28 -10.266  11.631   3.398
  187    HA   SER  28           HA       SER  28 -12.518  11.929   5.100
  188    HB2  SER  28           2HB      SER  28 -12.714  12.867   2.874
  189    HB3  SER  28           1HB      SER  28 -12.305  11.317   2.151
  190    HG   SER  28           HG       SER  28 -14.310  10.748   3.605
  191    H    GLY  29           H        GLY  29 -10.264   9.775   4.772
  192    HA2  GLY  29           2HA      GLY  29 -10.034   7.864   5.602
  193    HA3  GLY  29           1HA      GLY  29 -11.746   7.762   6.035
  194    H    ARG  30           H        ARG  30 -10.164   7.950   2.800
  195    HA   ARG  30           HA       ARG  30 -11.258   5.282   2.276
  196    HB2  ARG  30           2HB      ARG  30 -10.559   7.482   0.305
  197    HB3  ARG  30           1HB      ARG  30 -10.970   5.848  -0.159
  198    HG2  ARG  30           2HG      ARG  30 -12.883   7.162  -0.553
  199    HG3  ARG  30           1HG      ARG  30 -13.226   6.252   0.913
  200    HD2  ARG  30           2HD      ARG  30 -13.930   8.631   1.020
  201    HD3  ARG  30           1HD      ARG  30 -12.776   8.179   2.273
  202    HE   ARG  30           HE       ARG  30 -11.094   9.360   1.179
  203   HH11  ARG  30          1HH1      ARG  30 -14.187   9.768  -0.487
  204   HH12  ARG  30          2HH1      ARG  30 -13.794  11.269  -1.196
  205   HH21  ARG  30          1HH2      ARG  30 -10.570  11.394   0.331
  206   HH22  ARG  30          2HH2      ARG  30 -11.597  12.251  -0.736
  207    H    CYS  31           H        CYS  31  -9.897   4.131   0.610
  208    HA   CYS  31           HA       CYS  31  -7.132   4.341   1.409
  209    HB2  CYS  31           2HB      CYS  31  -8.780   2.132   0.302
  210    HB3  CYS  31           1HB      CYS  31  -7.046   2.133  -0.016
  211    H    VAL  32           H        VAL  32  -5.694   5.162   0.219
  212    HA   VAL  32           HA       VAL  32  -6.192   5.289  -2.529
  213    HB   VAL  32           HB       VAL  32  -6.595   7.542  -1.863
  214   HG11  VAL  32          1HG1      VAL  32  -4.208   7.249  -0.076
  215   HG12  VAL  32          2HG1      VAL  32  -5.853   7.827   0.335
  216   HG13  VAL  32          3HG1      VAL  32  -4.765   8.836  -0.585
  217   HG21  VAL  32          3HG2      VAL  32  -5.173   7.396  -3.838
  218   HG22  VAL  32          1HG2      VAL  32  -3.735   7.433  -2.819
  219   HG23  VAL  32          2HG2      VAL  32  -4.788   8.847  -2.907
  220    HA   PRO  33           HA       PRO  33  -2.350   2.987  -2.310
  221    HB2  PRO  33           2HB      PRO  33  -1.820   3.056  -5.025
  222    HB3  PRO  33           1HB      PRO  33  -2.902   1.876  -4.259
  223    HG2  PRO  33           2HG      PRO  33  -3.584   4.350  -5.736
  224    HG3  PRO  33           1HG      PRO  33  -4.413   2.781  -5.705
  225    HD2  PRO  33           2HD      PRO  33  -5.322   4.905  -4.340
  226    HD3  PRO  33           1HD      PRO  33  -5.520   3.242  -3.744
  227    H    TYR  34           H        TYR  34  -0.320   3.732  -1.893
  228    HA   TYR  34           HA       TYR  34   0.214   6.417  -2.400
  229    HB2  TYR  34           2HB      TYR  34   1.298   5.980  -0.578
  230    HB3  TYR  34           1HB      TYR  34   1.625   4.278  -0.940
  231    HD1  TYR  34           1HD      TYR  34   2.821   7.843  -2.122
  232    HD2  TYR  34           2HD      TYR  34   3.947   3.711  -1.203
  233    HE1  TYR  34           1HE      TYR  34   4.933   8.327  -2.537
  234    HE2  TYR  34           2HE      TYR  34   6.147   4.289  -1.661
  235    HH   TYR  34           HH       TYR  34   7.190   7.619  -2.188
  236    H    VAL  35           H        VAL  35   0.888   7.413  -3.937
  237    HA   VAL  35           HA       VAL  35   3.079   6.539  -5.476
  238    HB   VAL  35           HB       VAL  35   1.252   8.222  -6.874
  239   HG11  VAL  35          1HG1      VAL  35   2.523   5.721  -7.808
  240   HG12  VAL  35          2HG1      VAL  35   3.179   7.345  -7.729
  241   HG13  VAL  35          3HG1      VAL  35   1.813   7.018  -8.813
  242   HG21  VAL  35          3HG2      VAL  35  -0.490   6.677  -7.620
  243   HG22  VAL  35          1HG2      VAL  35  -0.483   6.847  -5.859
  244   HG23  VAL  35          2HG2      VAL  35   0.206   5.398  -6.606
  245    H    ASP  36           H        ASP  36   4.349   8.359  -5.364
  246    HA   ASP  36           HA       ASP  36   2.990  10.840  -4.464
  247    HB2  ASP  36           2HB      ASP  36   5.184  11.605  -3.935
  248    HB3  ASP  36           1HB      ASP  36   4.915   9.999  -3.227
  249    H    ALA  37           H        ALA  37   4.557  12.521  -5.381
  250    HA   ALA  37           HA       ALA  37   2.508  12.829  -7.126
  251    HB1  ALA  37           1HB      ALA  37   3.209  14.263  -5.533
  252    HB2  ALA  37           2HB      ALA  37   3.115  15.142  -7.107
  253    HB3  ALA  37           3HB      ALA  37   4.700  14.665  -6.385
  254    H    GLU  38           H        GLU  38   5.850  12.076  -7.353
  255    HA   GLU  38           HA       GLU  38   6.149  12.678 -10.007
  256    HB2  GLU  38           2HB      GLU  38   7.636  11.234  -8.015
  257    HB3  GLU  38           1HB      GLU  38   8.406  11.687  -9.570
  258    HG2  GLU  38           2HG      GLU  38   9.132  13.511  -8.353
  259    HG3  GLU  38           1HG      GLU  38   7.429  14.014  -8.397
  260    H    GLN  39           H        GLN  39   4.358  10.292  -8.488
  261    HA   GLN  39           HA       GLN  39   3.458   8.559  -9.032
  262    HB2  GLN  39           2HB      GLN  39   5.006   9.120 -11.350
  263    HB3  GLN  39           1HB      GLN  39   3.977   7.634 -11.404
  264    HG2  GLN  39           2HG      GLN  39   2.072   9.170 -10.875
  265    HG3  GLN  39           1HG      GLN  39   3.199  10.520 -10.936
  266   HE21  GLN  39          1HE2      GLN  39   2.116  11.529 -12.587
  267   HE22  GLN  39          2HE2      GLN  39   2.091  10.921 -14.216
  268    H    LYS  40           H        LYS  40   5.881   8.526  -7.499
  269    HA   LYS  40           HA       LYS  40   7.390   6.115  -7.912
  270    HB2  LYS  40           2HB      LYS  40   6.841   7.980  -5.712
  271    HB3  LYS  40           1HB      LYS  40   6.943   6.246  -5.375
  272    HG2  LYS  40           2HG      LYS  40   8.849   7.662  -5.016
  273    HG3  LYS  40           1HG      LYS  40   9.145   6.100  -5.816
  274    HD2  LYS  40           2HD      LYS  40  10.542   7.820  -6.881
  275    HD3  LYS  40           1HD      LYS  40   9.241   7.420  -7.994
  276    HE2  LYS  40           2HE      LYS  40   9.690   9.853  -7.840
  277    HE3  LYS  40           1HE      LYS  40   8.048   9.394  -7.393
  278    HZ1  LYS  40           3HZ      LYS  40  10.163   9.924  -5.336
  279    HZ2  LYS  40           1HZ      LYS  40   8.495   9.737  -5.134
  280    HZ3  LYS  40           2HZ      LYS  40   9.068  11.083  -5.899
  281    H    ASN  41           H        ASN  41   6.800   4.058  -7.198
  282    HA   ASN  41           HA       ASN  41   4.245   3.839  -5.850
  283    HB2  ASN  41           2HB      ASN  41   4.497   3.063  -8.298
  284    HB3  ASN  41           1HB      ASN  41   5.524   1.839  -7.546
  285   HD21  ASN  41          1HD2      ASN  41   2.219   3.054  -7.550
  286   HD22  ASN  41          2HD2      ASN  41   1.475   1.604  -6.979
  287    H    LEU  42           H        LEU  42   4.346   1.491  -4.834
  288    HA   LEU  42           HA       LEU  42   6.838   0.679  -3.819
  289    HB2  LEU  42           2HB      LEU  42   6.961   2.699  -2.667
  290    HB3  LEU  42           1HB      LEU  42   5.243   2.675  -2.309
  291    HG   LEU  42           HG       LEU  42   5.518   1.013  -0.890
  292   HD11  LEU  42          1HD1      LEU  42   7.621  -0.122  -1.593
  293   HD12  LEU  42          2HD1      LEU  42   7.878   0.381   0.078
  294   HD13  LEU  42          3HD1      LEU  42   8.553   1.335  -1.246
  295   HD21  LEU  42          3HD2      LEU  42   6.707   2.169   1.025
  296   HD22  LEU  42          1HD2      LEU  42   5.413   2.967   0.145
  297   HD23  LEU  42          2HD2      LEU  42   7.115   3.418  -0.161
  298    H    PHE  43           H        PHE  43   6.704  -1.248  -2.883
  299    HA   PHE  43           HA       PHE  43   4.197  -2.459  -2.599
  300    HB2  PHE  43           2HB      PHE  43   5.544  -3.608  -4.120
  301    HB3  PHE  43           1HB      PHE  43   6.988  -3.335  -3.167
  302    HD1  PHE  43           1HD      PHE  43   3.701  -5.066  -2.617
  303    HD2  PHE  43           2HD      PHE  43   7.946  -5.276  -2.440
  304    HE1  PHE  43           1HE      PHE  43   3.554  -7.367  -1.753
  305    HE2  PHE  43           2HE      PHE  43   7.803  -7.570  -1.572
  306    HZ   PHE  43           HZ       PHE  43   5.604  -8.615  -1.227
  307    H    LEU  44           H        LEU  44   3.609  -3.443  -0.541
  308    HA   LEU  44           HA       LEU  44   4.827  -2.510   1.706
  309    HB2  LEU  44           2HB      LEU  44   2.341  -3.390   1.057
  310    HB3  LEU  44           1HB      LEU  44   2.960  -4.801   1.875
  311    HG   LEU  44           HG       LEU  44   1.552  -3.446   3.358
  312   HD11  LEU  44          1HD1      LEU  44   4.389  -3.283   4.298
  313   HD12  LEU  44          2HD1      LEU  44   3.347  -4.704   4.404
  314   HD13  LEU  44          3HD1      LEU  44   2.933  -3.236   5.291
  315   HD21  LEU  44          3HD2      LEU  44   3.573  -1.262   3.006
  316   HD22  LEU  44          1HD2      LEU  44   2.203  -1.246   4.113
  317   HD23  LEU  44          2HD2      LEU  44   1.919  -1.272   2.372
  318    H    ARG  45           H        ARG  45   5.114  -4.584   3.456
  319    HA   ARG  45           HA       ARG  45   7.251  -6.149   2.550
  320    HB2  ARG  45           2HB      ARG  45   5.560  -6.015   4.918
  321    HB3  ARG  45           1HB      ARG  45   6.814  -7.300   4.804
  322    HG2  ARG  45           2HG      ARG  45   8.472  -5.421   4.581
  323    HG3  ARG  45           1HG      ARG  45   7.149  -4.282   4.847
  324    HD2  ARG  45           2HD      ARG  45   6.736  -5.260   7.045
  325    HD3  ARG  45           1HD      ARG  45   8.029  -6.426   6.779
  326    HE   ARG  45           HE       ARG  45   9.064  -3.872   6.436
  327   HH11  ARG  45          1HH1      ARG  45   7.781  -5.873   9.065
  328   HH12  ARG  45          2HH1      ARG  45   8.696  -5.156  10.300
  329   HH21  ARG  45          1HH2      ARG  45  10.372  -2.843   8.152
  330   HH22  ARG  45          2HH2      ARG  45  10.224  -3.367   9.756
  331    H    LYS  46           H        LYS  46   7.199  -8.583   2.757
  332    HA   LYS  46           HA       LYS  46   4.785  -9.432   1.412
  333    HB2  LYS  46           2HB      LYS  46   5.979 -11.305   0.470
  334    HB3  LYS  46           1HB      LYS  46   6.904  -9.853   0.197
  335    HG2  LYS  46           2HG      LYS  46   8.498 -11.493   0.665
  336    HG3  LYS  46           1HG      LYS  46   8.311 -10.669   2.207
  337    HD2  LYS  46           2HD      LYS  46   7.363 -12.476   3.210
  338    HD3  LYS  46           1HD      LYS  46   6.512 -12.974   1.752
  339    HE2  LYS  46           2HE      LYS  46   9.481 -13.316   2.191
  340    HE3  LYS  46           1HE      LYS  46   8.282 -14.572   2.492
  341    HZ1  LYS  46           3HZ      LYS  46   7.627 -14.404   0.126
  342    HZ2  LYS  46           1HZ      LYS  46   9.223 -14.897   0.279
  343    HZ3  LYS  46           2HZ      LYS  46   8.840 -13.325  -0.181
  344    H    GLY  47           H        GLY  47   3.723 -11.358   1.865
  345    HA2  GLY  47           2HA      GLY  47   2.829 -12.945   3.276
  346    HA3  GLY  47           1HA      GLY  47   4.048 -12.544   4.514
  347    H    LYS  48           H        LYS  48   2.445  -9.954   3.009
  348    HA   LYS  48           HA       LYS  48   1.194  -9.082   5.377
  349    HB2  LYS  48           2HB      LYS  48   2.110  -7.613   3.649
  350    HB3  LYS  48           1HB      LYS  48   0.957  -8.248   2.499
  351    HG2  LYS  48           2HG      LYS  48  -0.886  -7.352   3.972
  352    HG3  LYS  48           1HG      LYS  48   0.361  -6.550   4.926
  353    HD2  LYS  48           2HD      LYS  48   1.103  -5.355   2.909
  354    HD3  LYS  48           1HD      LYS  48  -0.181  -6.129   1.989
  355    HE2  LYS  48           2HE      LYS  48  -1.851  -5.093   3.514
  356    HE3  LYS  48           1HE      LYS  48  -0.537  -4.238   4.320
  357    HZ1  LYS  48           3HZ      LYS  48  -0.031  -3.150   2.147
  358    HZ2  LYS  48           1HZ      LYS  48  -1.624  -2.827   2.651
  359    HZ3  LYS  48           2HZ      LYS  48  -1.310  -3.994   1.476
  360    HA   PRO  49           HA       PRO  49  -2.668 -11.420   4.816
  361    HB2  PRO  49           2HB      PRO  49  -4.242  -9.486   6.122
  362    HB3  PRO  49           1HB      PRO  49  -3.461 -10.867   6.917
  363    HG2  PRO  49           2HG      PRO  49  -2.588  -8.047   6.791
  364    HG3  PRO  49           1HG      PRO  49  -2.378  -9.245   8.084
  365    HD2  PRO  49           2HD      PRO  49  -0.357  -8.540   6.501
  366    HD3  PRO  49           1HD      PRO  49  -0.533 -10.205   7.093
  367    H    CYS  50           H        CYS  50  -3.897 -11.363   3.041
  368    HA   CYS  50           HA       CYS  50  -4.530  -8.836   1.892
  369    HB2  CYS  50           2HB      CYS  50  -2.567  -9.303   0.788
  370    HB3  CYS  50           1HB      CYS  50  -2.876 -11.044   0.706
  371    H    THR  51           H        THR  51  -5.875  -9.347  -0.069
  372    HA   THR  51           HA       THR  51  -8.397 -10.114   0.583
  373    HB   THR  51           HB       THR  51  -8.761 -10.189  -1.922
  374    HG1  THR  51           1HG      THR  51  -6.024  -9.493  -2.164
  375   HG21  THR  51          3HG2      THR  51  -8.581  -8.059  -0.502
  376   HG22  THR  51          1HG2      THR  51  -8.229  -7.889  -2.240
  377   HG23  THR  51          2HG2      THR  51  -6.905  -8.011  -1.110
  378    H    VAL  52           H        VAL  52  -6.373 -11.902  -1.592
  379    HA   VAL  52           HA       VAL  52  -8.025 -14.276  -1.209
  380    HB   VAL  52           HB       VAL  52  -7.109 -15.084  -3.318
  381   HG11  VAL  52          1HG1      VAL  52  -8.117 -12.237  -3.360
  382   HG12  VAL  52          2HG1      VAL  52  -9.085 -13.712  -3.436
  383   HG13  VAL  52          3HG1      VAL  52  -8.032 -13.274  -4.785
  384   HG21  VAL  52          3HG2      VAL  52  -4.843 -13.946  -3.033
  385   HG22  VAL  52          1HG2      VAL  52  -5.608 -12.461  -3.576
  386   HG23  VAL  52          2HG2      VAL  52  -5.525 -13.846  -4.659
  387    H    GLY  53           H        GLY  53  -5.544 -13.287   0.441
  388    HA2  GLY  53           2HA      GLY  53  -4.735 -15.424   1.619
  389    HA3  GLY  53           1HA      GLY  53  -3.800 -15.563   0.122
  390    H    PHE  54           H        PHE  54  -1.872 -14.652   0.141
  391    HA   PHE  54           HA       PHE  54  -1.417 -12.369   1.927
  392    HB2  PHE  54           2HB      PHE  54   0.369 -14.767   1.529
  393    HB3  PHE  54           1HB      PHE  54   0.909 -13.309   2.359
  394    HD1  PHE  54           2HD      PHE  54  -0.290 -12.654   4.485
  395    HD2  PHE  54           1HD      PHE  54  -0.799 -16.453   2.642
  396    HE1  PHE  54           2HE      PHE  54  -1.171 -13.554   6.596
  397    HE2  PHE  54           1HE      PHE  54  -1.683 -17.362   4.748
  398    HZ   PHE  54           HZ       PHE  54  -1.870 -15.912   6.730
  399    H    CYS  55           H        CYS  55   0.353 -11.089   1.251
  400    HA   CYS  55           HA       CYS  55   0.646 -11.045  -1.668
  401    HB2  CYS  55           2HB      CYS  55   1.323  -9.079   0.488
  402    HB3  CYS  55           1HB      CYS  55   1.749  -8.842  -1.205
  403    H    ASP  56           H        ASP  56   2.467 -11.959  -2.564
  404    HA   ASP  56           HA       ASP  56   4.682 -11.965  -0.668
  405    HB2  ASP  56           2HB      ASP  56   3.965 -14.252  -1.715
  406    HB3  ASP  56           1HB      ASP  56   4.828 -13.694  -3.151
  407    H    MET  57           H        MET  57   6.828 -12.286  -2.548
  408    HA   MET  57           HA       MET  57   7.379  -9.522  -2.901
  409    HB2  MET  57           2HB      MET  57   8.915 -11.968  -3.765
  410    HB3  MET  57           1HB      MET  57   9.532 -10.321  -3.850
  411    HG2  MET  57           2HG      MET  57   9.399 -10.081  -1.471
  412    HG3  MET  57           1HG      MET  57   8.568 -11.627  -1.337
  413    HE1  MET  57           3HE      MET  57  11.680 -10.846  -3.648
  414    HE2  MET  57           1HE      MET  57  13.014 -11.227  -2.559
  415    HE3  MET  57           2HE      MET  57  11.972  -9.844  -2.225
  416    H    ASN  58           H        ASN  58   5.581 -11.393  -4.769
  417    HA   ASN  58           HA       ASN  58   6.235 -10.446  -7.411
  418    HB2  ASN  58           2HB      ASN  58   4.890 -12.541  -6.817
  419    HB3  ASN  58           1HB      ASN  58   3.594 -11.481  -6.317
  420   HD21  ASN  58          1HD2      ASN  58   4.123  -9.664  -8.734
  421   HD22  ASN  58          2HD2      ASN  58   3.468 -10.550 -10.059
  422    H    GLY  59           H        GLY  59   4.632  -9.265  -4.568
  423    HA2  GLY  59           2HA      GLY  59   3.419  -7.306  -4.088
  424    HA3  GLY  59           1HA      GLY  59   3.864  -6.723  -5.718
  425    H    LYS  60           H        LYS  60   2.450  -9.719  -4.950
  426    HA   LYS  60           HA       LYS  60  -0.245  -9.014  -5.926
  427    HB2  LYS  60           2HB      LYS  60   1.505 -10.123  -7.681
  428    HB3  LYS  60           1HB      LYS  60   1.147 -11.473  -6.589
  429    HG2  LYS  60           2HG      LYS  60  -1.219 -11.334  -7.101
  430    HG3  LYS  60           1HG      LYS  60  -0.933  -9.962  -8.164
  431    HD2  LYS  60           2HD      LYS  60  -1.129 -11.761  -9.644
  432    HD3  LYS  60           1HD      LYS  60   0.608 -11.564  -9.478
  433    HE2  LYS  60           2HE      LYS  60  -1.038 -13.588  -7.938
  434    HE3  LYS  60           1HE      LYS  60  -0.201 -13.942  -9.436
  435    HZ1  LYS  60           3HZ      LYS  60   1.056 -13.264  -6.803
  436    HZ2  LYS  60           1HZ      LYS  60   1.944 -13.496  -8.241
  437    HZ3  LYS  60           2HZ      LYS  60   0.959 -14.679  -7.477
  438    H    CYS  61           H        CYS  61  -1.586 -10.566  -5.359
  439    HA   CYS  61           HA       CYS  61  -0.961 -11.636  -2.774
  440    HB2  CYS  61           2HB      CYS  61  -2.948 -10.282  -3.771
  441    HB3  CYS  61           1HB      CYS  61  -3.479 -11.889  -4.272
  442    H    GLU  62           H        GLU  62  -0.763 -13.820  -2.554
  443    HA   GLU  62           HA       GLU  62   0.351 -15.622  -3.127
  444    HB2  GLU  62           2HB      GLU  62  -2.085 -15.543  -4.682
  445    HB3  GLU  62           1HB      GLU  62  -1.205 -17.113  -4.556
  446    HG2  GLU  62           2HG      GLU  62  -2.823 -15.488  -2.560
  447    HG3  GLU  62           1HG      GLU  62  -3.075 -17.160  -3.033
  Start of MODEL    2
    1    H    PHE   1           1HT      PHE   1   5.761   4.628   5.440
    2    HA   PHE   1           HA       PHE   1   4.872   2.557   4.237
    3    HB2  PHE   1           2HB      PHE   1   3.341   2.474   6.711
    4    HB3  PHE   1           1HB      PHE   1   2.384   3.170   5.410
    5    HD1  PHE   1           1HD      PHE   1   4.281   0.060   6.069
    6    HD2  PHE   1           2HD      PHE   1   1.077   2.090   4.264
    7    HE1  PHE   1           1HE      PHE   1   3.290  -2.117   5.468
    8    HE2  PHE   1           2HE      PHE   1   0.023  -0.090   3.626
    9    HZ   PHE   1           HZ       PHE   1   1.150  -2.188   4.247
   10    H    CYS   2           H        CYS   2   2.510   4.860   5.544
   11    HA   CYS   2           HA       CYS   2   3.108   6.387   3.170
   12    HB2  CYS   2           2HB      CYS   2   0.866   5.305   3.130
   13    HB3  CYS   2           1HB      CYS   2   0.417   6.304   4.511
   14    H    GLU   3           H        GLU   3   2.846   6.314   6.511
   15    HA   GLU   3           HA       GLU   3   2.218   8.759   7.533
   16    HB2  GLU   3           2HB      GLU   3   4.580   7.187   8.559
   17    HB3  GLU   3           1HB      GLU   3   3.495   8.212   9.469
   18    HG2  GLU   3           2HG      GLU   3   3.048   5.964  10.051
   19    HG3  GLU   3           1HG      GLU   3   1.696   6.518   9.051
   20    H    ARG   4           H        ARG   4   5.480   7.712   6.692
   21    HA   ARG   4           HA       ARG   4   6.475  10.316   7.091
   22    HB2  ARG   4           2HB      ARG   4   7.833   8.421   7.716
   23    HB3  ARG   4           1HB      ARG   4   7.776   7.799   6.076
   24    HG2  ARG   4           2HG      ARG   4   9.008   9.868   5.355
   25    HG3  ARG   4           1HG      ARG   4   9.228  10.242   7.065
   26    HD2  ARG   4           2HD      ARG   4  11.180   9.078   6.147
   27    HD3  ARG   4           1HD      ARG   4  10.384   8.108   7.389
   28    HE   ARG   4           HE       ARG   4   9.215   7.216   5.123
   29   HH11  ARG   4          1HH1      ARG   4  12.631   7.516   5.970
   30   HH12  ARG   4          2HH1      ARG   4  13.124   6.237   4.950
   31   HH21  ARG   4          1HH2      ARG   4   9.782   5.625   3.844
   32   HH22  ARG   4          2HH2      ARG   4  11.392   5.056   3.619
   33    H    GLU   5           H        GLU   5   5.928   8.040   4.434
   34    HA   GLU   5           HA       GLU   5   7.067   9.100   2.313
   35    HB2  GLU   5           2HB      GLU   5   4.527   7.584   2.726
   36    HB3  GLU   5           1HB      GLU   5   5.356   7.716   1.189
   37    HG2  GLU   5           2HG      GLU   5   5.679   5.557   2.592
   38    HG3  GLU   5           1HG      GLU   5   7.174   6.315   1.930
   39    H    GLN   6           H        GLN   6   3.569   9.658   3.244
   40    HA   GLN   6           HA       GLN   6   3.491  11.961   1.372
   41    HB2  GLN   6           2HB      GLN   6   1.385   9.969   2.137
   42    HB3  GLN   6           1HB      GLN   6   1.098  11.419   1.192
   43    HG2  GLN   6           2HG      GLN   6   2.987   9.274   0.455
   44    HG3  GLN   6           1HG      GLN   6   1.261   9.336  -0.039
   45   HE21  GLN   6          1HE2      GLN   6   0.586  10.931  -1.459
   46   HE22  GLN   6          2HE2      GLN   6   1.704  11.828  -2.429
   47    H    GLN   7           H        GLN   7   3.440  10.946   4.485
   48    HA   GLN   7           HA       GLN   7   2.768  11.500   6.326
   49    HB2  GLN   7           2HB      GLN   7   2.136  14.206   5.127
   50    HB3  GLN   7           1HB      GLN   7   2.180  13.899   6.863
   51    HG2  GLN   7           2HG      GLN   7   4.486  13.263   6.749
   52    HG3  GLN   7           1HG      GLN   7   4.461  13.390   4.996
   53   HE21  GLN   7          1HE2      GLN   7   6.106  14.897   4.982
   54   HE22  GLN   7          2HE2      GLN   7   5.889  16.536   5.519
   55    H    LEU   8           H        LEU   8   0.988  10.400   4.448
   56    HA   LEU   8           HA       LEU   8  -1.744  10.990   5.427
   57    HB2  LEU   8           2HB      LEU   8  -0.716   9.187   3.261
   58    HB3  LEU   8           1HB      LEU   8  -2.390   9.319   3.762
   59    HG   LEU   8           HG       LEU   8  -0.846  11.628   2.892
   60   HD11  LEU   8          1HD1      LEU   8  -0.713  10.020   0.995
   61   HD12  LEU   8          2HD1      LEU   8  -1.937  11.217   0.557
   62   HD13  LEU   8          3HD1      LEU   8  -2.420   9.637   1.185
   63   HD21  LEU   8          3HD2      LEU   8  -3.093  12.506   2.250
   64   HD22  LEU   8          1HD2      LEU   8  -2.913  12.148   3.967
   65   HD23  LEU   8          2HD2      LEU   8  -3.795  11.035   2.922
   66    H    GLU   9           H        GLU   9  -2.841   9.531   6.165
   67    HA   GLU   9           HA       GLU   9  -1.452   7.716   7.975
   68    HB2  GLU   9           2HB      GLU   9  -3.900   8.920   8.205
   69    HB3  GLU   9           1HB      GLU   9  -4.304   7.318   7.562
   70    HG2  GLU   9           2HG      GLU   9  -3.118   6.263   9.420
   71    HG3  GLU   9           1HG      GLU   9  -2.827   7.855  10.121
   72    H    SER  10           H        SER  10  -1.375   5.459   7.715
   73    HA   SER  10           HA       SER  10  -1.586   4.603   5.083
   74    HB2  SER  10           2HB      SER  10  -0.458   2.661   6.061
   75    HB3  SER  10           1HB      SER  10   0.142   4.289   6.537
   76    HG   SER  10           HG       SER  10   0.101   3.480   8.397
   77    H    CYS  11           H        CYS  11  -2.671   2.680   4.481
   78    HA   CYS  11           HA       CYS  11  -4.671   1.537   6.161
   79    HB2  CYS  11           2HB      CYS  11  -5.847   3.655   5.146
   80    HB3  CYS  11           1HB      CYS  11  -5.630   2.858   3.601
   81    H    ALA  12           H        ALA  12  -6.009   0.023   4.430
   82    HA   ALA  12           HA       ALA  12  -4.052  -1.137   2.601
   83    HB1  ALA  12           1HB      ALA  12  -5.892  -2.600   4.506
   84    HB2  ALA  12           2HB      ALA  12  -4.132  -2.541   4.608
   85    HB3  ALA  12           3HB      ALA  12  -4.912  -3.369   3.257
   86    H    CYS  13           H        CYS  13  -4.987  -1.650   0.608
   87    HA   CYS  13           HA       CYS  13  -7.600  -0.626   0.204
   88    HB2  CYS  13           2HB      CYS  13  -5.563  -1.908  -1.605
   89    HB3  CYS  13           1HB      CYS  13  -7.022  -1.094  -2.144
   90    H    ASN  14           H        ASN  14  -9.397  -1.694   0.012
   91    HA   ASN  14           HA       ASN  14  -9.714  -4.309   0.965
   92    HB2  ASN  14           2HB      ASN  14 -11.450  -2.525   1.037
   93    HB3  ASN  14           1HB      ASN  14 -11.615  -2.685  -0.710
   94   HD21  ASN  14          1HD2      ASN  14 -12.826  -4.423  -1.545
   95   HD22  ASN  14          2HD2      ASN  14 -13.720  -5.480  -0.508
   96    H    GLU  15           H        GLU  15  -9.097  -3.113  -2.197
   97    HA   GLU  15           HA       GLU  15 -10.087  -5.245  -3.582
   98    HB2  GLU  15           2HB      GLU  15  -9.705  -2.903  -4.443
   99    HB3  GLU  15           1HB      GLU  15  -7.984  -3.234  -4.408
  100    HG2  GLU  15           2HG      GLU  15  -9.946  -4.741  -6.126
  101    HG3  GLU  15           1HG      GLU  15  -9.021  -3.340  -6.665
  102    H    THR  16           H        THR  16  -8.763  -7.049  -4.471
  103    HA   THR  16           HA       THR  16  -7.013  -8.195  -2.624
  104    HB   THR  16           HB       THR  16  -7.590  -8.913  -5.487
  105    HG1  THR  16           1HG      THR  16  -8.902  -9.163  -3.147
  106   HG21  THR  16          3HG2      THR  16  -6.253 -10.619  -3.332
  107   HG22  THR  16          1HG2      THR  16  -5.432  -9.839  -4.694
  108   HG23  THR  16          2HG2      THR  16  -6.627 -11.109  -4.982
  109    H    ASP  17           H        ASP  17  -6.327  -6.778  -5.815
  110    HA   ASP  17           HA       ASP  17  -3.657  -7.602  -5.636
  111    HB2  ASP  17           2HB      ASP  17  -4.695  -7.266  -7.800
  112    HB3  ASP  17           1HB      ASP  17  -4.976  -5.572  -7.346
  113    H    ASN  18           H        ASN  18  -5.445  -4.601  -5.055
  114    HA   ASN  18           HA       ASN  18  -3.134  -3.028  -4.739
  115    HB2  ASN  18           2HB      ASN  18  -5.659  -2.341  -5.302
  116    HB3  ASN  18           1HB      ASN  18  -5.699  -2.197  -3.541
  117   HD21  ASN  18          1HD2      ASN  18  -3.034  -1.197  -3.170
  118   HD22  ASN  18          2HD2      ASN  18  -3.054   0.418  -3.785
  119    H    SER  19           H        SER  19  -4.663  -5.186  -2.770
  120    HA   SER  19           HA       SER  19  -3.921  -3.907  -0.315
  121    HB2  SER  19           2HB      SER  19  -4.404  -6.078   0.897
  122    HB3  SER  19           1HB      SER  19  -5.738  -5.474  -0.085
  123    HG   SER  19           HG       SER  19  -4.472  -7.112  -1.677
  124    H    CYS  20           H        CYS  20  -2.123  -5.418  -2.605
  125    HA   CYS  20           HA       CYS  20   0.027  -6.098  -0.772
  126    HB2  CYS  20           2HB      CYS  20  -0.339  -6.449  -3.707
  127    HB3  CYS  20           1HB      CYS  20   1.153  -6.883  -2.899
  128    H    LYS  21           H        LYS  21  -1.036  -3.315  -1.833
  129    HA   LYS  21           HA       LYS  21   1.652  -2.091  -1.934
  130    HB2  LYS  21           2HB      LYS  21  -0.890  -1.422  -3.360
  131    HB3  LYS  21           1HB      LYS  21   0.506  -0.343  -3.278
  132    HG2  LYS  21           2HG      LYS  21   0.646  -1.219  -5.451
  133    HG3  LYS  21           1HG      LYS  21   1.700  -2.286  -4.521
  134    HD2  LYS  21           2HD      LYS  21  -0.071  -3.972  -4.418
  135    HD3  LYS  21           1HD      LYS  21  -1.150  -2.897  -5.312
  136    HE2  LYS  21           2HE      LYS  21   0.406  -2.940  -7.225
  137    HE3  LYS  21           1HE      LYS  21   1.463  -4.028  -6.336
  138    HZ1  LYS  21           3HZ      LYS  21  -0.448  -5.684  -6.357
  139    HZ2  LYS  21           1HZ      LYS  21   0.058  -5.294  -7.894
  140    HZ3  LYS  21           2HZ      LYS  21  -1.308  -4.638  -7.301
  141    H    VAL  22           H        VAL  22   1.998  -0.466  -1.212
  142    HA   VAL  22           HA       VAL  22   0.917  -0.203   1.339
  143    HB   VAL  22           HB       VAL  22   2.772   1.445  -0.321
  144   HG11  VAL  22          1HG1      VAL  22   3.358   2.623   1.777
  145   HG12  VAL  22          2HG1      VAL  22   2.042   1.816   2.641
  146   HG13  VAL  22          3HG1      VAL  22   1.699   2.828   1.245
  147   HG21  VAL  22          3HG2      VAL  22   3.265  -0.530   1.929
  148   HG22  VAL  22          1HG2      VAL  22   4.521   0.306   1.028
  149   HG23  VAL  22          2HG2      VAL  22   3.474  -0.932   0.251
  150    H    CYS  23           H        CYS  23  -0.892   0.471   1.460
  151    HA   CYS  23           HA       CYS  23  -1.862   2.660  -0.224
  152    HB2  CYS  23           2HB      CYS  23  -3.550   1.048   1.689
  153    HB3  CYS  23           1HB      CYS  23  -4.035   2.246   0.477
  154    H    CYS  24           H        CYS  24  -2.841   4.460   0.507
  155    HA   CYS  24           HA       CYS  24  -2.147   5.426   3.199
  156    HB2  CYS  24           2HB      CYS  24  -2.699   6.916   0.622
  157    HB3  CYS  24           1HB      CYS  24  -2.227   7.649   2.143
  158    H    ARG  25           H        ARG  25  -3.946   7.305   3.671
  159    HA   ARG  25           HA       ARG  25  -6.459   6.427   2.486
  160    HB2  ARG  25           2HB      ARG  25  -5.821   5.996   5.022
  161    HB3  ARG  25           1HB      ARG  25  -6.346   7.669   5.148
  162    HG2  ARG  25           2HG      ARG  25  -8.430   6.897   3.807
  163    HG3  ARG  25           1HG      ARG  25  -7.862   5.282   4.286
  164    HD2  ARG  25           2HD      ARG  25  -8.391   7.522   6.126
  165    HD3  ARG  25           1HD      ARG  25  -9.570   6.263   5.759
  166    HE   ARG  25           HE       ARG  25  -7.927   4.637   6.637
  167   HH11  ARG  25          1HH1      ARG  25  -7.789   7.996   7.847
  168   HH12  ARG  25          2HH1      ARG  25  -6.834   7.594   9.200
  169   HH21  ARG  25          1HH2      ARG  25  -6.639   4.124   8.611
  170   HH22  ARG  25          2HH2      ARG  25  -6.218   5.422   9.631
  171    H    ASP  26           H        ASP  26  -7.929   8.113   2.257
  172    HA   ASP  26           HA       ASP  26  -6.552  10.639   1.875
  173    HB2  ASP  26           2HB      ASP  26  -7.579  10.848  -0.163
  174    HB3  ASP  26           1HB      ASP  26  -7.726   9.102  -0.031
  175    H    LEU  27           H        LEU  27  -8.406  12.210   1.626
  176    HA   LEU  27           HA       LEU  27  -9.131  12.922   4.179
  177    HB2  LEU  27           2HB      LEU  27 -10.606  14.617   2.921
  178    HB3  LEU  27           1HB      LEU  27  -8.843  14.835   2.978
  179    HG   LEU  27           HG       LEU  27 -10.216  13.474   0.654
  180   HD11  LEU  27          1HD1      LEU  27 -10.422  15.684  -0.438
  181   HD12  LEU  27          2HD1      LEU  27  -9.876  16.464   1.047
  182   HD13  LEU  27          3HD1      LEU  27 -11.416  15.605   1.015
  183   HD21  LEU  27          3HD2      LEU  27  -8.343  14.441  -0.608
  184   HD22  LEU  27          1HD2      LEU  27  -7.742  13.458   0.727
  185   HD23  LEU  27          2HD2      LEU  27  -7.747  15.212   0.858
  186    H    SER  28           H        SER  28 -10.897  11.532   1.595
  187    HA   SER  28           HA       SER  28 -13.439  11.825   2.809
  188    HB2  SER  28           2HB      SER  28 -13.265  11.988   0.380
  189    HB3  SER  28           1HB      SER  28 -12.590  10.366   0.295
  190    HG   SER  28           HG       SER  28 -14.757   9.974   1.524
  191    H    GLY  29           H        GLY  29 -10.871   9.920   3.295
  192    HA2  GLY  29           2HA      GLY  29 -10.588   8.414   4.709
  193    HA3  GLY  29           1HA      GLY  29 -12.331   8.104   4.887
  194    H    ARG  30           H        ARG  30 -10.967   8.035   1.712
  195    HA   ARG  30           HA       ARG  30 -11.503   5.201   1.515
  196    HB2  ARG  30           2HB      ARG  30 -10.581   7.231  -0.516
  197    HB3  ARG  30           1HB      ARG  30 -11.117   5.592  -0.864
  198    HG2  ARG  30           2HG      ARG  30 -13.335   6.081  -0.351
  199    HG3  ARG  30           1HG      ARG  30 -12.899   7.554   0.521
  200    HD2  ARG  30           2HD      ARG  30 -12.551   7.123  -2.434
  201    HD3  ARG  30           1HD      ARG  30 -13.891   8.002  -1.682
  202    HE   ARG  30           HE       ARG  30 -11.428   9.041  -0.794
  203   HH11  ARG  30          1HH1      ARG  30 -13.432   9.010  -3.697
  204   HH12  ARG  30          2HH1      ARG  30 -12.955  10.556  -4.243
  205   HH21  ARG  30          1HH2      ARG  30 -10.798  11.143  -1.466
  206   HH22  ARG  30          2HH2      ARG  30 -11.363  11.838  -2.915
  207    H    CYS  31           H        CYS  31  -9.923   3.714   1.139
  208    HA   CYS  31           HA       CYS  31  -7.232   4.558   1.751
  209    HB2  CYS  31           2HB      CYS  31  -8.362   1.782   1.345
  210    HB3  CYS  31           1HB      CYS  31  -6.804   2.179   2.074
  211    H    VAL  32           H        VAL  32  -5.827   4.985   0.203
  212    HA   VAL  32           HA       VAL  32  -6.485   4.150  -2.427
  213    HB   VAL  32           HB       VAL  32  -5.820   6.258  -3.309
  214   HG11  VAL  32          1HG1      VAL  32  -7.267   6.931  -0.749
  215   HG12  VAL  32          2HG1      VAL  32  -7.996   6.414  -2.268
  216   HG13  VAL  32          3HG1      VAL  32  -7.146   7.954  -2.176
  217   HG21  VAL  32          3HG2      VAL  32  -4.498   6.800  -0.652
  218   HG22  VAL  32          1HG2      VAL  32  -4.733   8.054  -1.903
  219   HG23  VAL  32          2HG2      VAL  32  -3.788   6.608  -2.260
  220    HA   PRO  33           HA       PRO  33  -2.199   2.677  -2.263
  221    HB2  PRO  33           2HB      PRO  33  -1.358   3.272  -4.888
  222    HB3  PRO  33           1HB      PRO  33  -2.163   1.783  -4.373
  223    HG2  PRO  33           2HG      PRO  33  -3.216   3.719  -6.095
  224    HG3  PRO  33           1HG      PRO  33  -4.095   2.379  -5.341
  225    HD2  PRO  33           2HD      PRO  33  -4.034   5.254  -4.532
  226    HD3  PRO  33           1HD      PRO  33  -5.312   4.034  -4.324
  227    H    TYR  34           H        TYR  34  -0.125   3.479  -1.572
  228    HA   TYR  34           HA       TYR  34   0.342   6.230  -1.843
  229    HB2  TYR  34           2HB      TYR  34   1.477   5.683  -0.048
  230    HB3  TYR  34           1HB      TYR  34   1.661   3.984  -0.506
  231    HD1  TYR  34           1HD      TYR  34   3.142   7.435  -1.498
  232    HD2  TYR  34           2HD      TYR  34   3.926   3.238  -0.702
  233    HE1  TYR  34           1HE      TYR  34   5.392   7.751  -1.876
  234    HE2  TYR  34           2HE      TYR  34   6.203   3.649  -1.094
  235    HH   TYR  34           HH       TYR  34   7.458   6.927  -1.678
  236    H    VAL  35           H        VAL  35   1.287   7.425  -3.247
  237    HA   VAL  35           HA       VAL  35   3.378   6.484  -4.942
  238    HB   VAL  35           HB       VAL  35   1.790   8.542  -6.074
  239   HG11  VAL  35          1HG1      VAL  35   3.514   7.581  -7.180
  240   HG12  VAL  35          2HG1      VAL  35   2.047   7.408  -8.152
  241   HG13  VAL  35          3HG1      VAL  35   2.715   6.008  -7.284
  242   HG21  VAL  35          3HG2      VAL  35  -0.141   7.346  -5.182
  243   HG22  VAL  35          1HG2      VAL  35   0.327   5.894  -6.053
  244   HG23  VAL  35          2HG2      VAL  35  -0.173   7.337  -6.956
  245    H    ASP  36           H        ASP  36   4.896   8.193  -4.798
  246    HA   ASP  36           HA       ASP  36   3.880  10.705  -3.573
  247    HB2  ASP  36           2HB      ASP  36   6.091  11.007  -2.738
  248    HB3  ASP  36           1HB      ASP  36   5.426   9.455  -2.233
  249    H    ALA  37           H        ALA  37   5.751  12.077  -3.987
  250    HA   ALA  37           HA       ALA  37   4.206  13.164  -5.860
  251    HB1  ALA  37           1HB      ALA  37   5.163  14.057  -4.038
  252    HB2  ALA  37           2HB      ALA  37   5.509  15.127  -5.459
  253    HB3  ALA  37           3HB      ALA  37   6.777  14.044  -4.745
  254    H    GLU  38           H        GLU  38   7.077  11.319  -6.017
  255    HA   GLU  38           HA       GLU  38   8.009  12.137  -8.461
  256    HB2  GLU  38           2HB      GLU  38   8.518   9.990  -6.552
  257    HB3  GLU  38           1HB      GLU  38   9.402  10.011  -8.087
  258    HG2  GLU  38           2HG      GLU  38  10.380  12.162  -7.463
  259    HG3  GLU  38           1HG      GLU  38   9.409  12.190  -5.987
  260    H    GLN  39           H        GLN  39   5.218  10.305  -7.483
  261    HA   GLN  39           HA       GLN  39   3.873   9.020  -8.298
  262    HB2  GLN  39           2HB      GLN  39   5.541   9.620 -10.562
  263    HB3  GLN  39           1HB      GLN  39   4.047   8.644 -10.840
  264    HG2  GLN  39           2HG      GLN  39   4.386  11.424  -9.740
  265    HG3  GLN  39           1HG      GLN  39   3.720  11.070 -11.350
  266   HE21  GLN  39          1HE2      GLN  39   2.602  12.581  -9.154
  267   HE22  GLN  39          2HE2      GLN  39   1.120  11.789  -8.714
  268    H    LYS  40           H        LYS  40   6.216   8.127  -7.010
  269    HA   LYS  40           HA       LYS  40   6.809   5.619  -8.315
  270    HB2  LYS  40           2HB      LYS  40   8.577   5.384  -6.975
  271    HB3  LYS  40           1HB      LYS  40   8.322   7.190  -6.965
  272    HG2  LYS  40           2HG      LYS  40   7.535   7.182  -4.789
  273    HG3  LYS  40           1HG      LYS  40   7.325   5.431  -4.769
  274    HD2  LYS  40           2HD      LYS  40   9.273   6.041  -3.449
  275    HD3  LYS  40           1HD      LYS  40   9.779   5.154  -4.881
  276    HE2  LYS  40           2HE      LYS  40  11.282   7.014  -4.502
  277    HE3  LYS  40           1HE      LYS  40  10.352   7.310  -5.967
  278    HZ1  LYS  40           3HZ      LYS  40   9.650   8.449  -3.318
  279    HZ2  LYS  40           1HZ      LYS  40   8.936   8.809  -4.752
  280    HZ3  LYS  40           2HZ      LYS  40  10.502   9.315  -4.496
  281    H    ASN  41           H        ASN  41   6.353   3.676  -7.405
  282    HA   ASN  41           HA       ASN  41   4.105   3.794  -5.545
  283    HB2  ASN  41           2HB      ASN  41   3.855   3.004  -7.986
  284    HB3  ASN  41           1HB      ASN  41   4.793   1.631  -7.405
  285   HD21  ASN  41          1HD2      ASN  41   1.739   3.304  -6.961
  286   HD22  ASN  41          2HD2      ASN  41   0.890   1.976  -6.259
  287    H    LEU  42           H        LEU  42   3.964   1.526  -4.544
  288    HA   LEU  42           HA       LEU  42   6.429   0.313  -3.868
  289    HB2  LEU  42           2HB      LEU  42   6.840   2.122  -2.457
  290    HB3  LEU  42           1HB      LEU  42   5.148   2.269  -2.033
  291    HG   LEU  42           HG       LEU  42   5.233   0.419  -0.755
  292   HD11  LEU  42          1HD1      LEU  42   7.067  -0.925  -1.755
  293   HD12  LEU  42          2HD1      LEU  42   7.474  -0.672  -0.058
  294   HD13  LEU  42          3HD1      LEU  42   8.247   0.307  -1.307
  295   HD21  LEU  42          3HD2      LEU  42   6.638   1.143   1.151
  296   HD22  LEU  42          1HD2      LEU  42   5.577   2.335   0.434
  297   HD23  LEU  42          2HD2      LEU  42   7.330   2.392   0.098
  298    H    PHE  43           H        PHE  43   5.499  -1.598  -4.435
  299    HA   PHE  43           HA       PHE  43   3.267  -2.610  -3.267
  300    HB2  PHE  43           2HB      PHE  43   4.037  -4.670  -4.412
  301    HB3  PHE  43           1HB      PHE  43   4.255  -3.172  -5.344
  302    HD1  PHE  43           1HD      PHE  43   6.336  -2.377  -6.062
  303    HD2  PHE  43           2HD      PHE  43   6.112  -5.798  -3.544
  304    HE1  PHE  43           1HE      PHE  43   8.700  -2.862  -6.520
  305    HE2  PHE  43           2HE      PHE  43   8.478  -6.285  -3.994
  306    HZ   PHE  43           HZ       PHE  43   9.777  -4.818  -5.483
  307    H    LEU  44           H        LEU  44   3.205  -4.134  -1.481
  308    HA   LEU  44           HA       LEU  44   4.716  -3.563   0.570
  309    HB2  LEU  44           2HB      LEU  44   3.072  -6.027   0.060
  310    HB3  LEU  44           1HB      LEU  44   3.804  -5.713   1.612
  311    HG   LEU  44           HG       LEU  44   1.712  -4.013   0.258
  312   HD11  LEU  44          1HD1      LEU  44   0.281  -4.795   2.068
  313   HD12  LEU  44          2HD1      LEU  44   1.598  -5.776   2.703
  314   HD13  LEU  44          3HD1      LEU  44   0.890  -6.165   1.137
  315   HD21  LEU  44          3HD2      LEU  44   3.003  -3.757   2.964
  316   HD22  LEU  44          1HD2      LEU  44   1.668  -2.788   2.348
  317   HD23  LEU  44          2HD2      LEU  44   3.252  -2.675   1.592
  318    H    ARG  45           H        ARG  45   5.959  -5.564   1.846
  319    HA   ARG  45           HA       ARG  45   7.781  -6.828   0.067
  320    HB2  ARG  45           2HB      ARG  45   7.577  -6.302   2.894
  321    HB3  ARG  45           1HB      ARG  45   8.398  -7.827   2.508
  322    HG2  ARG  45           2HG      ARG  45  10.066  -6.086   2.828
  323    HG3  ARG  45           1HG      ARG  45  10.024  -6.525   1.131
  324    HD2  ARG  45           2HD      ARG  45   8.599  -4.112   2.264
  325    HD3  ARG  45           1HD      ARG  45  10.251  -4.057   1.674
  326    HE   ARG  45           HE       ARG  45   7.901  -4.703   0.000
  327   HH11  ARG  45          1HH1      ARG  45  11.147  -3.291   0.307
  328   HH12  ARG  45          2HH1      ARG  45  11.119  -2.522  -1.206
  329   HH21  ARG  45          1HH2      ARG  45   7.837  -3.607  -2.046
  330   HH22  ARG  45          2HH2      ARG  45   9.169  -2.725  -2.616
  331    H    LYS  46           H        LYS  46   8.261  -9.244   0.542
  332    HA   LYS  46           HA       LYS  46   5.862 -10.643  -0.058
  333    HB2  LYS  46           2HB      LYS  46   7.305 -12.692  -0.166
  334    HB3  LYS  46           1HB      LYS  46   7.825 -11.386  -1.209
  335    HG2  LYS  46           2HG      LYS  46   9.610 -10.817   0.298
  336    HG3  LYS  46           1HG      LYS  46   9.017 -11.958   1.494
  337    HD2  LYS  46           2HD      LYS  46  10.994 -12.836   0.315
  338    HD3  LYS  46           1HD      LYS  46   9.578 -13.829   0.017
  339    HE2  LYS  46           2HE      LYS  46  10.192 -11.678  -1.953
  340    HE3  LYS  46           1HE      LYS  46  11.255 -13.078  -1.923
  341    HZ1  LYS  46           3HZ      LYS  46   9.303 -13.201  -3.508
  342    HZ2  LYS  46           1HZ      LYS  46   8.277 -13.318  -2.229
  343    HZ3  LYS  46           2HZ      LYS  46   9.387 -14.506  -2.462
  344    H    GLY  47           H        GLY  47   4.566 -11.791   1.078
  345    HA2  GLY  47           2HA      GLY  47   3.862 -13.297   2.663
  346    HA3  GLY  47           1HA      GLY  47   5.403 -13.130   3.529
  347    H    LYS  48           H        LYS  48   3.515 -10.379   2.535
  348    HA   LYS  48           HA       LYS  48   2.761  -9.987   5.299
  349    HB2  LYS  48           2HB      LYS  48   3.285  -8.298   2.997
  350    HB3  LYS  48           1HB      LYS  48   1.861  -7.779   3.899
  351    HG2  LYS  48           2HG      LYS  48   3.467  -6.510   4.971
  352    HG3  LYS  48           1HG      LYS  48   3.545  -7.953   5.957
  353    HD2  LYS  48           2HD      LYS  48   5.439  -7.257   3.692
  354    HD3  LYS  48           1HD      LYS  48   5.767  -7.007   5.395
  355    HE2  LYS  48           2HE      LYS  48   5.384  -9.656   3.996
  356    HE3  LYS  48           1HE      LYS  48   6.910  -8.978   4.542
  357    HZ1  LYS  48           3HZ      LYS  48   6.070 -10.672   6.004
  358    HZ2  LYS  48           1HZ      LYS  48   4.652  -9.826   6.274
  359    HZ3  LYS  48           2HZ      LYS  48   6.129  -9.204   6.844
  360    HA   PRO  49           HA       PRO  49  -1.213 -11.585   4.281
  361    HB2  PRO  49           2HB      PRO  49  -2.663 -10.473   6.321
  362    HB3  PRO  49           1HB      PRO  49  -1.594 -11.875   6.546
  363    HG2  PRO  49           2HG      PRO  49  -1.089  -9.024   7.182
  364    HG3  PRO  49           1HG      PRO  49  -0.638 -10.483   8.087
  365    HD2  PRO  49           2HD      PRO  49   1.127  -9.131   6.560
  366    HD3  PRO  49           1HD      PRO  49   1.213 -10.887   6.801
  367    H    CYS  50           H        CYS  50  -2.819 -10.957   3.009
  368    HA   CYS  50           HA       CYS  50  -3.441  -8.148   2.839
  369    HB2  CYS  50           2HB      CYS  50  -3.525  -8.369   0.416
  370    HB3  CYS  50           1HB      CYS  50  -1.942  -8.831   1.019
  371    H    THR  51           H        THR  51  -5.331  -8.778   0.709
  372    HA   THR  51           HA       THR  51  -7.686  -9.209   2.088
  373    HB   THR  51           HB       THR  51  -8.490  -9.708  -0.325
  374    HG1  THR  51           1HG      THR  51  -6.012  -8.587  -1.066
  375   HG21  THR  51          3HG2      THR  51  -8.611  -7.518   0.851
  376   HG22  THR  51          1HG2      THR  51  -8.290  -7.376  -0.895
  377   HG23  THR  51          2HG2      THR  51  -6.961  -7.223   0.250
  378    H    VAL  52           H        VAL  52  -6.297 -11.239  -0.322
  379    HA   VAL  52           HA       VAL  52  -7.910 -13.452   0.572
  380    HB   VAL  52           HB       VAL  52  -7.263 -14.638  -1.466
  381   HG11  VAL  52          1HG1      VAL  52  -9.205 -13.212  -1.518
  382   HG12  VAL  52          2HG1      VAL  52  -8.345 -13.027  -3.055
  383   HG13  VAL  52          3HG1      VAL  52  -8.199 -11.794  -1.798
  384   HG21  VAL  52          3HG2      VAL  52  -5.714 -12.139  -2.201
  385   HG22  VAL  52          1HG2      VAL  52  -5.939 -13.554  -3.204
  386   HG23  VAL  52          2HG2      VAL  52  -4.957 -13.673  -1.752
  387    H    GLY  53           H        GLY  53  -4.511 -12.777   0.587
  388    HA2  GLY  53           2HA      GLY  53  -4.126 -14.822   2.504
  389    HA3  GLY  53           1HA      GLY  53  -3.476 -15.211   0.903
  390    H    PHE  54           H        PHE  54  -1.485 -14.591   0.464
  391    HA   PHE  54           HA       PHE  54  -0.374 -12.391   2.054
  392    HB2  PHE  54           2HB      PHE  54   1.022 -14.928   1.293
  393    HB3  PHE  54           1HB      PHE  54   1.824 -13.503   1.992
  394    HD1  PHE  54           2HD      PHE  54   1.313 -12.852   4.325
  395    HD2  PHE  54           1HD      PHE  54  -0.180 -16.464   2.644
  396    HE1  PHE  54           2HE      PHE  54   0.811 -13.686   6.580
  397    HE2  PHE  54           1HE      PHE  54  -0.688 -17.307   4.897
  398    HZ   PHE  54           HZ       PHE  54  -0.191 -15.917   6.871
  399    H    CYS  55           H        CYS  55   1.039 -11.156   1.151
  400    HA   CYS  55           HA       CYS  55   0.892 -10.842  -1.748
  401    HB2  CYS  55           2HB      CYS  55   2.022  -9.182   0.438
  402    HB3  CYS  55           1HB      CYS  55   2.087  -8.732  -1.260
  403    H    ASP  56           H        ASP  56   2.527 -11.307  -3.059
  404    HA   ASP  56           HA       ASP  56   5.153 -11.538  -1.744
  405    HB2  ASP  56           2HB      ASP  56   4.298 -13.527  -3.201
  406    HB3  ASP  56           1HB      ASP  56   4.721 -12.506  -4.578
  407    H    MET  57           H        MET  57   6.879 -11.046  -3.883
  408    HA   MET  57           HA       MET  57   6.793  -8.162  -3.773
  409    HB2  MET  57           2HB      MET  57   8.832 -10.082  -4.886
  410    HB3  MET  57           1HB      MET  57   9.013  -8.334  -4.942
  411    HG2  MET  57           2HG      MET  57   8.995  -8.205  -2.540
  412    HG3  MET  57           1HG      MET  57   8.654  -9.925  -2.417
  413    HE1  MET  57           3HE      MET  57  11.319  -7.207  -3.466
  414    HE2  MET  57           1HE      MET  57  11.166  -8.180  -4.932
  415    HE3  MET  57           2HE      MET  57  12.658  -8.224  -3.996
  416    H    ASN  58           H        ASN  58   5.380 -10.236  -5.725
  417    HA   ASN  58           HA       ASN  58   5.705  -8.794  -8.213
  418    HB2  ASN  58           2HB      ASN  58   5.280 -11.211  -8.291
  419    HB3  ASN  58           1HB      ASN  58   3.789 -11.003  -7.388
  420   HD21  ASN  58          1HD2      ASN  58   5.357 -10.541 -10.481
  421   HD22  ASN  58          2HD2      ASN  58   3.888 -10.312 -11.369
  422    H    GLY  59           H        GLY  59   3.909  -8.536  -5.343
  423    HA2  GLY  59           2HA      GLY  59   2.482  -6.794  -4.713
  424    HA3  GLY  59           1HA      GLY  59   2.348  -6.323  -6.418
  425    H    LYS  60           H        LYS  60   1.987  -9.560  -5.933
  426    HA   LYS  60           HA       LYS  60  -1.012  -9.470  -5.809
  427    HB2  LYS  60           2HB      LYS  60   0.937 -11.274  -7.152
  428    HB3  LYS  60           1HB      LYS  60  -0.627 -11.843  -6.619
  429    HG2  LYS  60           2HG      LYS  60  -1.682 -10.142  -8.027
  430    HG3  LYS  60           1HG      LYS  60  -0.090  -9.681  -8.640
  431    HD2  LYS  60           2HD      LYS  60  -0.992 -11.184 -10.264
  432    HD3  LYS  60           1HD      LYS  60   0.203 -12.100  -9.363
  433    HE2  LYS  60           2HE      LYS  60  -2.803 -12.234  -8.914
  434    HE3  LYS  60           1HE      LYS  60  -1.887 -13.383  -9.866
  435    HZ1  LYS  60           3HZ      LYS  60  -1.817 -13.063  -6.871
  436    HZ2  LYS  60           1HZ      LYS  60  -0.668 -13.956  -7.662
  437    HZ3  LYS  60           2HZ      LYS  60  -2.205 -14.394  -7.719
  438    H    CYS  61           H        CYS  61  -2.005 -10.515  -4.672
  439    HA   CYS  61           HA       CYS  61  -0.878 -11.920  -2.467
  440    HB2  CYS  61           2HB      CYS  61  -3.419 -11.357  -3.779
  441    HB3  CYS  61           1HB      CYS  61  -3.454 -12.460  -2.356
  442    H    GLU  62           H        GLU  62  -0.629 -14.133  -2.641
  443    HA   GLU  62           HA       GLU  62   0.420 -15.577  -4.145
  444    HB2  GLU  62           2HB      GLU  62  -1.406 -17.524  -4.171
  445    HB3  GLU  62           1HB      GLU  62  -0.544 -16.971  -2.741
  446    HG2  GLU  62           2HG      GLU  62  -3.258 -15.909  -3.430
  447    HG3  GLU  62           1HG      GLU  62  -3.057 -17.403  -2.505
  Start of MODEL    3
    1    H    PHE   1           1HT      PHE   1   4.075   3.872   8.337
    2    HA   PHE   1           HA       PHE   1   4.929   4.221   6.318
    3    HB2  PHE   1           2HB      PHE   1   4.007   3.112   4.239
    4    HB3  PHE   1           1HB      PHE   1   4.879   2.014   5.287
    5    HD1  PHE   1           2HD      PHE   1   3.459   0.469   6.774
    6    HD2  PHE   1           1HD      PHE   1   1.939   2.689   3.506
    7    HE1  PHE   1           2HE      PHE   1   1.557  -1.089   6.631
    8    HE2  PHE   1           1HE      PHE   1   0.016   1.128   3.335
    9    HZ   PHE   1           HZ       PHE   1  -0.167  -0.760   4.902
   10    H    CYS   2           H        CYS   2   3.836   5.190   4.514
   11    HA   CYS   2           HA       CYS   2   3.202   7.158   4.033
   12    HB2  CYS   2           2HB      CYS   2   0.848   5.623   4.330
   13    HB3  CYS   2           1HB      CYS   2   0.523   7.356   4.361
   14    H    GLU   3           H        GLU   3   2.634   6.628   7.168
   15    HA   GLU   3           HA       GLU   3   1.575   9.173   7.970
   16    HB2  GLU   3           2HB      GLU   3   1.498   7.030   9.326
   17    HB3  GLU   3           1HB      GLU   3   3.195   7.260   9.674
   18    HG2  GLU   3           2HG      GLU   3   0.977   9.137  10.527
   19    HG3  GLU   3           1HG      GLU   3   1.689   7.895  11.540
   20    H    ARG   4           H        ARG   4   4.874   7.916   8.455
   21    HA   ARG   4           HA       ARG   4   5.616  10.463   9.307
   22    HB2  ARG   4           2HB      ARG   4   6.440   8.248  10.267
   23    HB3  ARG   4           1HB      ARG   4   7.510   8.168   8.873
   24    HG2  ARG   4           2HG      ARG   4   8.833   9.097  10.562
   25    HG3  ARG   4           1HG      ARG   4   8.338  10.479   9.586
   26    HD2  ARG   4           2HD      ARG   4   7.326   9.647  12.312
   27    HD3  ARG   4           1HD      ARG   4   8.071  11.170  11.847
   28    HE   ARG   4           HE       ARG   4   5.307  10.369  11.583
   29   HH11  ARG   4          1HH1      ARG   4   7.714  12.728  10.413
   30   HH12  ARG   4          2HH1      ARG   4   6.502  13.801   9.836
   31   HH21  ARG   4          1HH2      ARG   4   3.781  11.841  10.823
   32   HH22  ARG   4          2HH2      ARG   4   4.273  13.294  10.040
   33    H    GLU   5           H        GLU   5   6.010   8.445   6.546
   34    HA   GLU   5           HA       GLU   5   7.943   9.934   5.266
   35    HB2  GLU   5           2HB      GLU   5   7.015   8.553   3.334
   36    HB3  GLU   5           1HB      GLU   5   7.985   7.811   4.672
   37    HG2  GLU   5           2HG      GLU   5   4.988   7.754   4.587
   38    HG3  GLU   5           1HG      GLU   5   5.903   6.566   3.670
   39    H    GLN   6           H        GLN   6   4.385   9.848   4.726
   40    HA   GLN   6           HA       GLN   6   4.829  11.882   2.595
   41    HB2  GLN   6           2HB      GLN   6   2.544   9.932   2.811
   42    HB3  GLN   6           1HB      GLN   6   2.793  11.102   1.534
   43    HG2  GLN   6           2HG      GLN   6   4.462   8.716   2.159
   44    HG3  GLN   6           1HG      GLN   6   3.301   8.909   0.817
   45   HE21  GLN   6          1HE2      GLN   6   3.894  10.297  -0.927
   46   HE22  GLN   6          2HE2      GLN   6   5.533  10.748  -1.199
   47    H    GLN   7           H        GLN   7   3.783  11.509   5.642
   48    HA   GLN   7           HA       GLN   7   2.568  12.327   6.950
   49    HB2  GLN   7           2HB      GLN   7   2.293  14.558   4.974
   50    HB3  GLN   7           1HB      GLN   7   1.493  14.687   6.531
   51    HG2  GLN   7           2HG      GLN   7   4.349  14.039   6.232
   52    HG3  GLN   7           1HG      GLN   7   3.826  15.745   6.292
   53   HE21  GLN   7          1HE2      GLN   7   1.679  14.736   8.247
   54   HE22  GLN   7          2HE2      GLN   7   2.484  14.576   9.754
   55    H    LEU   8           H        LEU   8   1.480  10.685   4.950
   56    HA   LEU   8           HA       LEU   8  -1.491  11.022   4.852
   57    HB2  LEU   8           2HB      LEU   8   0.487   9.110   3.636
   58    HB3  LEU   8           1HB      LEU   8  -1.252   8.896   3.524
   59    HG   LEU   8           HG       LEU   8   0.285  11.202   2.502
   60   HD11  LEU   8          1HD1      LEU   8   1.016   9.255   1.233
   61   HD12  LEU   8          2HD1      LEU   8  -0.167  10.082   0.211
   62   HD13  LEU   8          3HD1      LEU   8  -0.638   8.654   1.139
   63   HD21  LEU   8          3HD2      LEU   8  -2.029  11.752   2.865
   64   HD22  LEU   8          1HD2      LEU   8  -2.543  10.309   1.988
   65   HD23  LEU   8          2HD2      LEU   8  -1.745  11.626   1.130
   66    H    GLU   9           H        GLU   9  -2.172   8.656   4.989
   67    HA   GLU   9           HA       GLU   9  -1.001   7.507   7.408
   68    HB2  GLU   9           2HB      GLU   9  -3.343   8.759   7.696
   69    HB3  GLU   9           1HB      GLU   9  -3.970   7.301   6.940
   70    HG2  GLU   9           2HG      GLU   9  -2.185   7.094   9.292
   71    HG3  GLU   9           1HG      GLU   9  -3.910   7.455   9.560
   72    H    SER  10           H        SER  10  -1.365   5.145   7.384
   73    HA   SER  10           HA       SER  10  -1.081   4.272   4.705
   74    HB2  SER  10           2HB      SER  10  -0.145   2.380   5.807
   75    HB3  SER  10           1HB      SER  10   0.369   3.985   6.430
   76    HG   SER  10           HG       SER  10  -1.498   3.477   8.078
   77    H    CYS  11           H        CYS  11  -2.244   2.200   4.044
   78    HA   CYS  11           HA       CYS  11  -4.227   1.074   5.672
   79    HB2  CYS  11           2HB      CYS  11  -5.478   3.227   4.851
   80    HB3  CYS  11           1HB      CYS  11  -5.391   2.519   3.250
   81    H    ALA  12           H        ALA  12  -5.716  -0.323   3.894
   82    HA   ALA  12           HA       ALA  12  -3.807  -1.433   1.983
   83    HB1  ALA  12           1HB      ALA  12  -3.980  -2.947   3.911
   84    HB2  ALA  12           2HB      ALA  12  -4.745  -3.664   2.492
   85    HB3  ALA  12           3HB      ALA  12  -5.738  -2.945   3.761
   86    H    CYS  13           H        CYS  13  -4.687  -1.722  -0.022
   87    HA   CYS  13           HA       CYS  13  -7.216  -0.560  -0.539
   88    HB2  CYS  13           2HB      CYS  13  -5.321  -2.093  -2.325
   89    HB3  CYS  13           1HB      CYS  13  -6.705  -1.159  -2.863
   90    H    ASN  14           H        ASN  14  -9.101  -1.466  -1.001
   91    HA   ASN  14           HA       ASN  14  -9.734  -4.033  -0.074
   92    HB2  ASN  14           2HB      ASN  14 -11.265  -2.220  -1.920
   93    HB3  ASN  14           1HB      ASN  14 -11.950  -3.615  -1.094
   94   HD21  ASN  14          1HD2      ASN  14 -12.340  -3.479   1.137
   95   HD22  ASN  14          2HD2      ASN  14 -12.320  -1.957   1.960
   96    H    GLU  15           H        GLU  15  -8.639  -2.881  -3.121
   97    HA   GLU  15           HA       GLU  15  -9.636  -4.934  -4.617
   98    HB2  GLU  15           2HB      GLU  15  -9.053  -2.607  -5.424
   99    HB3  GLU  15           1HB      GLU  15  -7.365  -3.057  -5.240
  100    HG2  GLU  15           2HG      GLU  15  -9.219  -4.510  -7.099
  101    HG3  GLU  15           1HG      GLU  15  -8.287  -3.094  -7.582
  102    H    THR  16           H        THR  16  -8.491  -6.829  -5.231
  103    HA   THR  16           HA       THR  16  -6.905  -8.054  -3.342
  104    HB   THR  16           HB       THR  16  -7.381  -8.729  -6.231
  105    HG1  THR  16           1HG      THR  16  -8.851  -8.859  -3.979
  106   HG21  THR  16          3HG2      THR  16  -6.288 -10.508  -4.013
  107   HG22  THR  16          1HG2      THR  16  -5.357  -9.827  -5.356
  108   HG23  THR  16          2HG2      THR  16  -6.644 -11.002  -5.671
  109    H    ASP  17           H        ASP  17  -5.914  -6.755  -6.514
  110    HA   ASP  17           HA       ASP  17  -3.314  -7.794  -6.157
  111    HB2  ASP  17           2HB      ASP  17  -4.457  -7.307  -8.361
  112    HB3  ASP  17           1HB      ASP  17  -4.104  -5.609  -7.989
  113    H    ASN  18           H        ASN  18  -4.908  -4.665  -5.727
  114    HA   ASN  18           HA       ASN  18  -2.498  -3.282  -5.293
  115    HB2  ASN  18           2HB      ASN  18  -5.348  -2.489  -5.012
  116    HB3  ASN  18           1HB      ASN  18  -4.100  -1.476  -4.300
  117   HD21  ASN  18          1HD2      ASN  18  -5.325  -2.817  -7.312
  118   HD22  ASN  18          2HD2      ASN  18  -4.570  -1.656  -8.336
  119    H    SER  19           H        SER  19  -4.143  -5.302  -3.371
  120    HA   SER  19           HA       SER  19  -3.241  -3.994  -0.979
  121    HB2  SER  19           2HB      SER  19  -4.045  -6.018   0.321
  122    HB3  SER  19           1HB      SER  19  -5.267  -5.254  -0.691
  123    HG   SER  19           HG       SER  19  -4.224  -7.088  -2.225
  124    H    CYS  20           H        CYS  20  -1.475  -5.450  -3.236
  125    HA   CYS  20           HA       CYS  20   0.465  -6.431  -1.263
  126    HB2  CYS  20           2HB      CYS  20  -0.157  -7.744  -3.543
  127    HB3  CYS  20           1HB      CYS  20   1.055  -6.667  -4.231
  128    H    LYS  21           H        LYS  21  -0.428  -3.569  -2.457
  129    HA   LYS  21           HA       LYS  21   2.279  -2.409  -2.328
  130    HB2  LYS  21           2HB      LYS  21  -0.012  -1.782  -4.099
  131    HB3  LYS  21           1HB      LYS  21   1.389  -0.709  -3.920
  132    HG2  LYS  21           2HG      LYS  21   2.054  -1.740  -5.863
  133    HG3  LYS  21           1HG      LYS  21   2.566  -3.024  -4.775
  134    HD2  LYS  21           2HD      LYS  21   1.320  -4.049  -6.539
  135    HD3  LYS  21           1HD      LYS  21   0.287  -4.063  -5.107
  136    HE2  LYS  21           2HE      LYS  21  -0.838  -2.006  -5.947
  137    HE3  LYS  21           1HE      LYS  21   0.163  -2.090  -7.389
  138    HZ1  LYS  21           3HZ      LYS  21  -2.105  -3.050  -7.653
  139    HZ2  LYS  21           1HZ      LYS  21  -1.711  -4.224  -6.542
  140    HZ3  LYS  21           2HZ      LYS  21  -0.939  -4.222  -7.983
  141    H    VAL  22           H        VAL  22   2.341  -0.430  -1.969
  142    HA   VAL  22           HA       VAL  22   1.264  -0.151   0.605
  143    HB   VAL  22           HB       VAL  22   2.932   1.675  -1.074
  144   HG11  VAL  22          1HG1      VAL  22   1.752   2.965   0.496
  145   HG12  VAL  22          2HG1      VAL  22   3.435   2.824   1.071
  146   HG13  VAL  22          3HG1      VAL  22   2.140   1.871   1.825
  147   HG21  VAL  22          3HG2      VAL  22   3.636  -0.173   1.218
  148   HG22  VAL  22          1HG2      VAL  22   4.773   0.750   0.237
  149   HG23  VAL  22          2HG2      VAL  22   3.817  -0.608  -0.454
  150    H    CYS  23           H        CYS  23  -0.582   0.235   0.706
  151    HA   CYS  23           HA       CYS  23  -1.794   2.443  -0.777
  152    HB2  CYS  23           2HB      CYS  23  -3.201   0.613   1.129
  153    HB3  CYS  23           1HB      CYS  23  -3.888   1.785  -0.002
  154    H    CYS  24           H        CYS  24  -2.864   4.099   0.258
  155    HA   CYS  24           HA       CYS  24  -2.106   4.530   3.008
  156    HB2  CYS  24           2HB      CYS  24  -1.628   6.448   0.716
  157    HB3  CYS  24           1HB      CYS  24  -1.334   6.809   2.411
  158    H    ARG  25           H        ARG  25  -3.302   6.923   3.492
  159    HA   ARG  25           HA       ARG  25  -5.997   6.328   2.569
  160    HB2  ARG  25           2HB      ARG  25  -5.067   5.888   5.036
  161    HB3  ARG  25           1HB      ARG  25  -5.532   7.582   5.169
  162    HG2  ARG  25           2HG      ARG  25  -7.752   6.909   4.161
  163    HG3  ARG  25           1HG      ARG  25  -7.192   5.247   4.427
  164    HD2  ARG  25           2HD      ARG  25  -7.373   7.354   6.458
  165    HD3  ARG  25           1HD      ARG  25  -8.624   6.135   6.199
  166    HE   ARG  25           HE       ARG  25  -5.968   5.676   7.436
  167   HH11  ARG  25          1HH1      ARG  25  -8.929   4.170   6.205
  168   HH12  ARG  25          2HH1      ARG  25  -8.619   2.675   6.958
  169   HH21  ARG  25          1HH2      ARG  25  -5.555   3.814   8.398
  170   HH22  ARG  25          2HH2      ARG  25  -6.561   2.423   8.327
  171    H    ASP  26           H        ASP  26  -7.335   8.123   2.573
  172    HA   ASP  26           HA       ASP  26  -5.856  10.541   1.969
  173    HB2  ASP  26           2HB      ASP  26  -7.130  10.813   0.082
  174    HB3  ASP  26           1HB      ASP  26  -7.373   9.082   0.256
  175    H    LEU  27           H        LEU  27  -7.574  12.263   2.027
  176    HA   LEU  27           HA       LEU  27  -7.924  12.935   4.664
  177    HB2  LEU  27           2HB      LEU  27  -9.337  14.322   2.415
  178    HB3  LEU  27           1HB      LEU  27  -8.846  15.019   3.946
  179    HG   LEU  27           HG       LEU  27  -6.449  14.284   2.962
  180   HD11  LEU  27          1HD1      LEU  27  -8.049  14.998   0.522
  181   HD12  LEU  27          2HD1      LEU  27  -7.384  13.417   0.878
  182   HD13  LEU  27          3HD1      LEU  27  -6.299  14.783   0.592
  183   HD21  LEU  27          3HD2      LEU  27  -7.017  16.505   3.803
  184   HD22  LEU  27          1HD2      LEU  27  -7.910  16.850   2.321
  185   HD23  LEU  27          2HD2      LEU  27  -6.160  16.626   2.266
  186    H    SER  28           H        SER  28 -10.100  11.528   2.343
  187    HA   SER  28           HA       SER  28 -12.404  12.044   3.919
  188    HB2  SER  28           2HB      SER  28 -12.603  12.276   1.499
  189    HB3  SER  28           1HB      SER  28 -12.057  10.621   1.268
  190    HG   SER  28           HG       SER  28 -14.028  10.310   2.805
  191    H    GLY  29           H        GLY  29  -9.929  10.016   4.082
  192    HA2  GLY  29           2HA      GLY  29  -9.547   8.406   5.368
  193    HA3  GLY  29           1HA      GLY  29 -11.264   8.211   5.782
  194    H    ARG  30           H        ARG  30 -10.405   8.160   2.433
  195    HA   ARG  30           HA       ARG  30 -11.194   5.391   2.244
  196    HB2  ARG  30           2HB      ARG  30 -10.401   7.418   0.161
  197    HB3  ARG  30           1HB      ARG  30 -11.102   5.837  -0.157
  198    HG2  ARG  30           2HG      ARG  30 -13.179   6.456   0.709
  199    HG3  ARG  30           1HG      ARG  30 -12.511   7.872   1.523
  200    HD2  ARG  30           2HD      ARG  30 -12.643   7.490  -1.455
  201    HD3  ARG  30           1HD      ARG  30 -13.791   8.437  -0.495
  202    HE   ARG  30           HE       ARG  30 -11.148   9.287   0.005
  203   HH11  ARG  30          1HH1      ARG  30 -13.607   9.467  -2.517
  204   HH12  ARG  30          2HH1      ARG  30 -13.128  10.997  -3.106
  205   HH21  ARG  30          1HH2      ARG  30 -10.501  11.369  -0.726
  206   HH22  ARG  30          2HH2      ARG  30 -11.257  12.138  -2.046
  207    H    CYS  31           H        CYS  31  -9.861   3.791   1.459
  208    HA   CYS  31           HA       CYS  31  -7.041   4.271   1.822
  209    HB2  CYS  31           2HB      CYS  31  -8.545   1.705   1.279
  210    HB3  CYS  31           1HB      CYS  31  -6.873   1.843   1.828
  211    H    VAL  32           H        VAL  32  -5.700   4.572   0.158
  212    HA   VAL  32           HA       VAL  32  -6.701   4.046  -2.433
  213    HB   VAL  32           HB       VAL  32  -6.104   6.185  -3.243
  214   HG11  VAL  32          1HG1      VAL  32  -7.158   7.890  -1.860
  215   HG12  VAL  32          2HG1      VAL  32  -7.114   6.830  -0.475
  216   HG13  VAL  32          3HG1      VAL  32  -8.098   6.396  -1.880
  217   HG21  VAL  32          3HG2      VAL  32  -4.720   7.854  -1.945
  218   HG22  VAL  32          1HG2      VAL  32  -3.914   6.368  -2.474
  219   HG23  VAL  32          2HG2      VAL  32  -4.395   6.543  -0.784
  220    HA   PRO  33           HA       PRO  33  -2.421   2.522  -2.624
  221    HB2  PRO  33           2HB      PRO  33  -1.853   3.038  -5.338
  222    HB3  PRO  33           1HB      PRO  33  -2.651   1.583  -4.715
  223    HG2  PRO  33           2HG      PRO  33  -3.814   3.553  -6.350
  224    HG3  PRO  33           1HG      PRO  33  -4.633   2.207  -5.543
  225    HD2  PRO  33           2HD      PRO  33  -4.489   5.070  -4.704
  226    HD3  PRO  33           1HD      PRO  33  -5.740   3.846  -4.385
  227    H    TYR  34           H        TYR  34  -0.261   3.459  -2.164
  228    HA   TYR  34           HA       TYR  34  -0.241   6.256  -2.594
  229    HB2  TYR  34           2HB      TYR  34   0.810   6.062  -0.719
  230    HB3  TYR  34           1HB      TYR  34   1.442   4.433  -1.008
  231    HD1  TYR  34           1HD      TYR  34   2.049   8.005  -2.403
  232    HD2  TYR  34           2HD      TYR  34   3.752   4.359  -0.915
  233    HE1  TYR  34           1HE      TYR  34   4.159   8.845  -2.786
  234    HE2  TYR  34           2HE      TYR  34   5.984   5.328  -1.307
  235    HH   TYR  34           HH       TYR  34   6.362   8.632  -2.352
  236    H    VAL  35           H        VAL  35   0.304   7.334  -4.140
  237    HA   VAL  35           HA       VAL  35   2.632   6.718  -5.637
  238    HB   VAL  35           HB       VAL  35   0.704   8.136  -7.105
  239   HG11  VAL  35          1HG1      VAL  35   2.184   5.662  -7.792
  240   HG12  VAL  35          2HG1      VAL  35   2.663   7.351  -7.969
  241   HG13  VAL  35          3HG1      VAL  35   1.330   6.715  -8.945
  242   HG21  VAL  35          3HG2      VAL  35  -0.896   6.374  -7.801
  243   HG22  VAL  35          1HG2      VAL  35  -1.011   6.742  -6.076
  244   HG23  VAL  35          2HG2      VAL  35  -0.175   5.281  -6.609
  245    H    ASP  36           H        ASP  36   3.682   8.686  -5.715
  246    HA   ASP  36           HA       ASP  36   2.064  11.065  -5.025
  247    HB2  ASP  36           2HB      ASP  36   4.155  11.978  -4.214
  248    HB3  ASP  36           1HB      ASP  36   3.665  10.478  -3.402
  249    H    ALA  37           H        ALA  37   3.906  12.707  -5.791
  250    HA   ALA  37           HA       ALA  37   2.054  12.963  -7.780
  251    HB1  ALA  37           1HB      ALA  37   2.575  14.442  -6.179
  252    HB2  ALA  37           2HB      ALA  37   2.720  15.261  -7.784
  253    HB3  ALA  37           3HB      ALA  37   4.180  14.776  -6.829
  254    H    GLU  38           H        GLU  38   5.317  12.074  -7.499
  255    HA   GLU  38           HA       GLU  38   6.094  12.507 -10.066
  256    HB2  GLU  38           2HB      GLU  38   7.041  10.944  -7.806
  257    HB3  GLU  38           1HB      GLU  38   8.075  11.182  -9.249
  258    HG2  GLU  38           2HG      GLU  38   8.874  12.985  -8.070
  259    HG3  GLU  38           1HG      GLU  38   7.285  13.701  -8.401
  260    H    GLN  39           H        GLN  39   3.810  10.303  -8.691
  261    HA   GLN  39           HA       GLN  39   2.847   8.618  -9.261
  262    HB2  GLN  39           2HB      GLN  39   4.511   9.152 -11.521
  263    HB3  GLN  39           1HB      GLN  39   3.439   7.709 -11.630
  264    HG2  GLN  39           2HG      GLN  39   1.547   9.277 -11.242
  265    HG3  GLN  39           1HG      GLN  39   2.708  10.600 -11.153
  266   HE21  GLN  39          1HE2      GLN  39   4.324   9.559 -13.323
  267   HE22  GLN  39          2HE2      GLN  39   3.436   9.853 -14.785
  268    H    LYS  40           H        LYS  40   5.154   8.457  -7.607
  269    HA   LYS  40           HA       LYS  40   6.265   5.907  -8.410
  270    HB2  LYS  40           2HB      LYS  40   8.007   6.265  -7.123
  271    HB3  LYS  40           1HB      LYS  40   7.405   7.970  -7.401
  272    HG2  LYS  40           2HG      LYS  40   6.535   8.087  -5.214
  273    HG3  LYS  40           1HG      LYS  40   6.865   6.381  -4.912
  274    HD2  LYS  40           2HD      LYS  40   8.527   7.735  -3.774
  275    HD3  LYS  40           1HD      LYS  40   9.296   6.850  -5.087
  276    HE2  LYS  40           2HE      LYS  40  10.121   9.147  -4.989
  277    HE3  LYS  40           1HE      LYS  40   9.229   8.877  -6.483
  278    HZ1  LYS  40           3HZ      LYS  40   7.344  10.002  -5.561
  279    HZ2  LYS  40           1HZ      LYS  40   8.602  11.055  -5.338
  280    HZ3  LYS  40           2HZ      LYS  40   7.946  10.117  -4.094
  281    H    ASN  41           H        ASN  41   6.104   4.134  -7.210
  282    HA   ASN  41           HA       ASN  41   3.852   4.126  -5.337
  283    HB2  ASN  41           2HB      ASN  41   3.496   3.197  -7.683
  284    HB3  ASN  41           1HB      ASN  41   4.749   2.049  -7.227
  285   HD21  ASN  41          1HD2      ASN  41   2.149   3.083  -5.036
  286   HD22  ASN  41          2HD2      ASN  41   1.386   1.542  -4.957
  287    H    LEU  42           H        LEU  42   4.057   1.735  -4.328
  288    HA   LEU  42           HA       LEU  42   6.798   0.922  -3.784
  289    HB2  LEU  42           2HB      LEU  42   4.869   1.693  -1.636
  290    HB3  LEU  42           1HB      LEU  42   6.306   0.752  -1.365
  291    HG   LEU  42           HG       LEU  42   6.181   3.621  -2.220
  292   HD11  LEU  42          1HD1      LEU  42   6.921   2.291   0.402
  293   HD12  LEU  42          2HD1      LEU  42   5.373   3.021   0.065
  294   HD13  LEU  42          3HD1      LEU  42   6.832   4.039   0.121
  295   HD21  LEU  42          3HD2      LEU  42   8.602   3.606  -1.725
  296   HD22  LEU  42          1HD2      LEU  42   8.211   2.499  -3.042
  297   HD23  LEU  42          2HD2      LEU  42   8.523   1.869  -1.425
  298    H    PHE  43           H        PHE  43   6.898  -1.191  -3.369
  299    HA   PHE  43           HA       PHE  43   4.572  -2.705  -3.453
  300    HB2  PHE  43           2HB      PHE  43   6.303  -3.496  -4.827
  301    HB3  PHE  43           1HB      PHE  43   7.523  -3.208  -3.601
  302    HD1  PHE  43           2HD      PHE  43   4.406  -5.243  -3.908
  303    HD2  PHE  43           1HD      PHE  43   8.512  -5.102  -2.808
  304    HE1  PHE  43           2HE      PHE  43   4.312  -7.597  -3.242
  305    HE2  PHE  43           1HE      PHE  43   8.419  -7.465  -2.144
  306    HZ   PHE  43           HZ       PHE  43   6.304  -8.706  -2.355
  307    H    LEU  44           H        LEU  44   3.792  -3.953  -1.559
  308    HA   LEU  44           HA       LEU  44   4.647  -3.129   0.850
  309    HB2  LEU  44           2HB      LEU  44   2.696  -5.194  -0.024
  310    HB3  LEU  44           1HB      LEU  44   3.184  -5.176   1.654
  311    HG   LEU  44           HG       LEU  44   1.859  -2.888   0.187
  312   HD11  LEU  44          1HD1      LEU  44   0.829  -4.791   2.288
  313   HD12  LEU  44          2HD1      LEU  44   0.357  -4.767   0.589
  314   HD13  LEU  44          3HD1      LEU  44  -0.043  -3.405   1.636
  315   HD21  LEU  44          3HD2      LEU  44   3.363  -2.090   1.955
  316   HD22  LEU  44          1HD2      LEU  44   2.610  -3.203   3.095
  317   HD23  LEU  44          2HD2      LEU  44   1.678  -1.873   2.413
  318    H    ARG  45           H        ARG  45   4.821  -5.318   2.488
  319    HA   ARG  45           HA       ARG  45   7.272  -6.411   1.583
  320    HB2  ARG  45           2HB      ARG  45   5.945  -6.054   4.116
  321    HB3  ARG  45           1HB      ARG  45   7.219  -7.329   3.995
  322    HG2  ARG  45           2HG      ARG  45   8.148  -5.179   4.899
  323    HG3  ARG  45           1HG      ARG  45   8.836  -5.563   3.327
  324    HD2  ARG  45           2HD      ARG  45   7.244  -3.987   2.278
  325    HD3  ARG  45           1HD      ARG  45   6.607  -3.593   3.870
  326    HE   ARG  45           HE       ARG  45   9.043  -2.936   4.311
  327   HH11  ARG  45          1HH1      ARG  45   7.424  -2.491   1.132
  328   HH12  ARG  45          2HH1      ARG  45   8.216  -1.069   0.764
  329   HH21  ARG  45          1HH2      ARG  45  10.167  -0.903   3.754
  330   HH22  ARG  45          2HH2      ARG  45   9.822  -0.128   2.286
  331    H    LYS  46           H        LYS  46   7.749  -8.585   1.919
  332    HA   LYS  46           HA       LYS  46   5.800 -10.276   0.639
  333    HB2  LYS  46           2HB      LYS  46   8.083 -10.395  -0.106
  334    HB3  LYS  46           1HB      LYS  46   8.657 -10.708   1.516
  335    HG2  LYS  46           2HG      LYS  46   7.597 -12.941   1.437
  336    HG3  LYS  46           1HG      LYS  46   7.063 -12.610  -0.215
  337    HD2  LYS  46           2HD      LYS  46   9.336 -12.436  -0.986
  338    HD3  LYS  46           1HD      LYS  46   9.955 -12.513   0.657
  339    HE2  LYS  46           2HE      LYS  46  10.308 -14.640  -0.462
  340    HE3  LYS  46           1HE      LYS  46   9.140 -14.836   0.835
  341    HZ1  LYS  46           3HZ      LYS  46   8.465 -16.017  -1.220
  342    HZ2  LYS  46           1HZ      LYS  46   8.382 -14.563  -2.051
  343    HZ3  LYS  46           2HZ      LYS  46   7.356 -14.825  -0.829
  344    H    GLY  47           H        GLY  47   4.503 -11.654   1.383
  345    HA2  GLY  47           2HA      GLY  47   3.579 -13.309   2.648
  346    HA3  GLY  47           1HA      GLY  47   5.062 -13.368   3.622
  347    H    LYS  48           H        LYS  48   3.083 -10.560   2.957
  348    HA   LYS  48           HA       LYS  48   2.263 -10.571   5.744
  349    HB2  LYS  48           2HB      LYS  48   2.767  -8.523   3.698
  350    HB3  LYS  48           1HB      LYS  48   2.057  -8.057   5.278
  351    HG2  LYS  48           2HG      LYS  48   4.781  -9.292   4.716
  352    HG3  LYS  48           1HG      LYS  48   4.488  -7.628   5.218
  353    HD2  LYS  48           2HD      LYS  48   4.003  -8.231   7.394
  354    HD3  LYS  48           1HD      LYS  48   3.513  -9.864   6.974
  355    HE2  LYS  48           2HE      LYS  48   6.340  -8.819   6.874
  356    HE3  LYS  48           1HE      LYS  48   5.661  -9.784   8.186
  357    HZ1  LYS  48           3HZ      LYS  48   5.200 -11.542   6.448
  358    HZ2  LYS  48           1HZ      LYS  48   6.846 -11.261   6.725
  359    HZ3  LYS  48           2HZ      LYS  48   6.094 -10.651   5.359
  360    HA   PRO  49           HA       PRO  49  -1.803 -11.384   4.391
  361    HB2  PRO  49           2HB      PRO  49  -3.234  -9.998   6.289
  362    HB3  PRO  49           1HB      PRO  49  -2.485 -11.582   6.576
  363    HG2  PRO  49           2HG      PRO  49  -1.497  -8.888   7.329
  364    HG3  PRO  49           1HG      PRO  49  -1.428 -10.415   8.232
  365    HD2  PRO  49           2HD      PRO  49   0.715  -9.451   6.948
  366    HD3  PRO  49           1HD      PRO  49   0.395 -11.192   7.074
  367    H    CYS  50           H        CYS  50  -3.064 -10.602   2.902
  368    HA   CYS  50           HA       CYS  50  -3.639  -7.791   2.756
  369    HB2  CYS  50           2HB      CYS  50  -3.246  -7.882   0.343
  370    HB3  CYS  50           1HB      CYS  50  -1.798  -8.347   1.235
  371    H    THR  51           H        THR  51  -5.195  -8.439   0.257
  372    HA   THR  51           HA       THR  51  -7.684  -8.816   1.436
  373    HB   THR  51           HB       THR  51  -8.367  -9.313  -0.985
  374    HG1  THR  51           1HG      THR  51  -5.824  -8.313  -1.625
  375   HG21  THR  51          3HG2      THR  51  -8.479  -7.101   0.104
  376   HG22  THR  51          1HG2      THR  51  -8.027  -7.007  -1.614
  377   HG23  THR  51          2HG2      THR  51  -6.781  -6.868  -0.369
  378    H    VAL  52           H        VAL  52  -6.323 -10.943  -0.903
  379    HA   VAL  52           HA       VAL  52  -8.082 -13.087  -0.017
  380    HB   VAL  52           HB       VAL  52  -7.461 -14.288  -2.042
  381   HG11  VAL  52          1HG1      VAL  52  -9.309 -12.713  -2.122
  382   HG12  VAL  52          2HG1      VAL  52  -8.426 -12.666  -3.652
  383   HG13  VAL  52          3HG1      VAL  52  -8.190 -11.391  -2.456
  384   HG21  VAL  52          3HG2      VAL  52  -5.107 -13.446  -2.190
  385   HG22  VAL  52          1HG2      VAL  52  -5.757 -11.894  -2.706
  386   HG23  VAL  52          2HG2      VAL  52  -5.991 -13.321  -3.712
  387    H    GLY  53           H        GLY  53  -4.849 -12.349   0.644
  388    HA2  GLY  53           2HA      GLY  53  -4.435 -14.593   2.103
  389    HA3  GLY  53           1HA      GLY  53  -3.740 -14.883   0.498
  390    H    PHE  54           H        PHE  54  -1.680 -14.391   0.335
  391    HA   PHE  54           HA       PHE  54  -0.697 -12.288   2.119
  392    HB2  PHE  54           2HB      PHE  54   0.777 -14.746   1.185
  393    HB3  PHE  54           1HB      PHE  54   1.523 -13.397   2.046
  394    HD1  PHE  54           1HD      PHE  54   0.821 -12.905   4.380
  395    HD2  PHE  54           2HD      PHE  54  -0.434 -16.422   2.341
  396    HE1  PHE  54           1HE      PHE  54   0.216 -13.927   6.530
  397    HE2  PHE  54           2HE      PHE  54  -1.045 -17.452   4.489
  398    HZ   PHE  54           HZ       PHE  54  -0.720 -16.204   6.588
  399    H    CYS  55           H        CYS  55   0.821 -10.997   1.421
  400    HA   CYS  55           HA       CYS  55   0.763 -10.340  -1.406
  401    HB2  CYS  55           2HB      CYS  55   0.488  -8.575   0.292
  402    HB3  CYS  55           1HB      CYS  55   1.995  -9.106   1.036
  403    H    ASP  56           H        ASP  56   2.324 -11.475  -2.666
  404    HA   ASP  56           HA       ASP  56   4.846 -11.822  -1.192
  405    HB2  ASP  56           2HB      ASP  56   3.601 -13.924  -2.149
  406    HB3  ASP  56           1HB      ASP  56   4.328 -13.427  -3.679
  407    H    MET  57           H        MET  57   6.768 -12.173  -3.129
  408    HA   MET  57           HA       MET  57   7.455  -9.572  -3.690
  409    HB2  MET  57           2HB      MET  57   8.836 -11.534  -3.082
  410    HB3  MET  57           1HB      MET  57   8.504 -12.205  -4.669
  411    HG2  MET  57           2HG      MET  57   9.485 -10.343  -5.683
  412    HG3  MET  57           1HG      MET  57   9.759  -9.642  -4.064
  413    HE1  MET  57           3HE      MET  57  13.435 -10.663  -5.248
  414    HE2  MET  57           1HE      MET  57  12.408  -9.335  -4.712
  415    HE3  MET  57           2HE      MET  57  12.135 -10.079  -6.287
  416    H    ASN  58           H        ASN  58   5.440 -11.647  -5.271
  417    HA   ASN  58           HA       ASN  58   5.920 -10.970  -8.007
  418    HB2  ASN  58           2HB      ASN  58   5.039 -13.143  -7.228
  419    HB3  ASN  58           1HB      ASN  58   3.632 -12.340  -6.568
  420   HD21  ASN  58          1HD2      ASN  58   2.315 -13.645  -7.721
  421   HD22  ASN  58          2HD2      ASN  58   2.076 -13.509  -9.429
  422    H    GLY  59           H        GLY  59   4.259  -9.520  -5.313
  423    HA2  GLY  59           2HA      GLY  59   2.981  -7.499  -5.158
  424    HA3  GLY  59           1HA      GLY  59   3.264  -7.290  -6.905
  425    H    LYS  60           H        LYS  60   2.033 -10.053  -5.317
  426    HA   LYS  60           HA       LYS  60  -0.775  -9.491  -5.941
  427    HB2  LYS  60           2HB      LYS  60   0.813 -11.845  -6.806
  428    HB3  LYS  60           1HB      LYS  60  -0.925 -11.897  -6.635
  429    HG2  LYS  60           2HG      LYS  60  -0.722 -11.517  -8.934
  430    HG3  LYS  60           1HG      LYS  60  -0.910  -9.885  -8.295
  431    HD2  LYS  60           2HD      LYS  60   1.655  -9.844  -8.219
  432    HD3  LYS  60           1HD      LYS  60   1.575 -11.255  -9.269
  433    HE2  LYS  60           2HE      LYS  60   1.854  -9.314 -10.634
  434    HE3  LYS  60           1HE      LYS  60   0.201  -9.900 -10.846
  435    HZ1  LYS  60           3HZ      LYS  60   0.906  -7.772  -8.924
  436    HZ2  LYS  60           1HZ      LYS  60  -0.616  -8.210  -9.400
  437    HZ3  LYS  60           2HZ      LYS  60   0.362  -7.412 -10.493
  438    H    CYS  61           H        CYS  61  -2.015 -11.016  -5.172
  439    HA   CYS  61           HA       CYS  61  -1.142 -11.672  -2.507
  440    HB2  CYS  61           2HB      CYS  61  -3.464 -10.582  -3.773
  441    HB3  CYS  61           1HB      CYS  61  -3.764 -11.565  -2.282
  442    H    GLU  62           H        GLU  62  -0.721 -13.672  -2.470
  443    HA   GLU  62           HA       GLU  62  -2.492 -15.624  -3.520
  444    HB2  GLU  62           2HB      GLU  62  -0.535 -16.663  -4.680
  445    HB3  GLU  62           1HB      GLU  62  -0.977 -15.009  -5.165
  446    HG2  GLU  62           2HG      GLU  62   0.878 -14.142  -3.743
  447    HG3  GLU  62           1HG      GLU  62   1.451 -15.802  -3.589
  Start of MODEL    4
    1    H    PHE   1           1HT      PHE   1   4.437   0.702   6.075
    2    HA   PHE   1           HA       PHE   1   4.669   0.075   3.933
    3    HB2  PHE   1           2HB      PHE   1   2.636  -0.231   2.501
    4    HB3  PHE   1           1HB      PHE   1   3.060  -1.612   3.529
    5    HD1  PHE   1           2HD      PHE   1   1.571  -2.107   5.471
    6    HD2  PHE   1           1HD      PHE   1   0.616   0.906   2.621
    7    HE1  PHE   1           2HE      PHE   1  -0.765  -2.136   6.234
    8    HE2  PHE   1           1HE      PHE   1  -1.724   0.878   3.378
    9    HZ   PHE   1           HZ       PHE   1  -2.417  -0.643   5.185
   10    H    CYS   2           H        CYS   2   2.168   2.052   5.243
   11    HA   CYS   2           HA       CYS   2   3.282   4.189   3.629
   12    HB2  CYS   2           2HB      CYS   2   1.206   3.444   2.571
   13    HB3  CYS   2           1HB      CYS   2   0.334   3.763   4.068
   14    H    GLU   3           H        GLU   3   1.750   3.145   6.547
   15    HA   GLU   3           HA       GLU   3   0.946   5.345   7.839
   16    HB2  GLU   3           2HB      GLU   3   1.664   4.054   9.872
   17    HB3  GLU   3           1HB      GLU   3   0.336   3.352   8.903
   18    HG2  GLU   3           2HG      GLU   3   3.271   2.533   8.908
   19    HG3  GLU   3           1HG      GLU   3   2.062   1.797   9.937
   20    H    ARG   4           H        ARG   4   4.145   3.995   8.172
   21    HA   ARG   4           HA       ARG   4   4.791   6.463   9.417
   22    HB2  ARG   4           2HB      ARG   4   5.374   4.420  10.646
   23    HB3  ARG   4           1HB      ARG   4   6.507   3.988   9.377
   24    HG2  ARG   4           2HG      ARG   4   7.584   4.985  11.390
   25    HG3  ARG   4           1HG      ARG   4   7.910   5.877   9.902
   26    HD2  ARG   4           2HD      ARG   4   7.353   7.339  11.866
   27    HD3  ARG   4           1HD      ARG   4   6.298   7.569  10.476
   28    HE   ARG   4           HE       ARG   4   5.432   5.727  12.549
   29   HH11  ARG   4          1HH1      ARG   4   5.125   9.024  11.201
   30   HH12  ARG   4          2HH1      ARG   4   3.581   9.302  11.784
   31   HH21  ARG   4          1HH2      ARG   4   3.227   6.131  13.397
   32   HH22  ARG   4          2HH2      ARG   4   2.468   7.618  13.076
   33    H    GLU   5           H        GLU   5   5.501   4.547   6.667
   34    HA   GLU   5           HA       GLU   5   7.764   5.673   5.664
   35    HB2  GLU   5           2HB      GLU   5   5.437   4.402   4.235
   36    HB3  GLU   5           1HB      GLU   5   7.051   4.623   3.575
   37    HG2  GLU   5           2HG      GLU   5   7.158   2.392   4.286
   38    HG3  GLU   5           1HG      GLU   5   7.773   3.314   5.686
   39    H    GLN   6           H        GLN   6   4.353   6.645   5.021
   40    HA   GLN   6           HA       GLN   6   5.406   9.098   3.737
   41    HB2  GLN   6           2HB      GLN   6   2.719   7.755   3.497
   42    HB3  GLN   6           1HB      GLN   6   3.136   9.300   2.779
   43    HG2  GLN   6           2HG      GLN   6   4.410   6.679   2.188
   44    HG3  GLN   6           1HG      GLN   6   3.158   7.514   1.213
   45   HE21  GLN   6          1HE2      GLN   6   6.543   7.597   2.215
   46   HE22  GLN   6          2HE2      GLN   6   7.018   8.748   1.016
   47    H    GLN   7           H        GLN   7   3.797   7.679   6.325
   48    HA   GLN   7           HA       GLN   7   2.916   8.193   8.003
   49    HB2  GLN   7           2HB      GLN   7   3.659  11.091   7.590
   50    HB3  GLN   7           1HB      GLN   7   3.180  10.374   9.134
   51    HG2  GLN   7           2HG      GLN   7   5.033   8.708   8.769
   52    HG3  GLN   7           1HG      GLN   7   5.581   9.733   7.474
   53   HE21  GLN   7          1HE2      GLN   7   7.511  10.155   8.460
   54   HE22  GLN   7          2HE2      GLN   7   7.664  11.197   9.836
   55    H    LEU   8           H        LEU   8   1.663   8.321   5.504
   56    HA   LEU   8           HA       LEU   8  -0.935   9.643   5.848
   57    HB2  LEU   8           2HB      LEU   8   0.220   7.688   3.886
   58    HB3  LEU   8           1HB      LEU   8  -1.458   8.189   3.915
   59    HG   LEU   8           HG       LEU   8   0.664  10.188   3.768
   60   HD11  LEU   8          1HD1      LEU   8   0.442  10.041   1.204
   61   HD12  LEU   8          2HD1      LEU   8  -0.516   8.572   1.442
   62   HD13  LEU   8          3HD1      LEU   8   1.187   8.595   1.886
   63   HD21  LEU   8          3HD2      LEU   8  -2.158  10.050   2.749
   64   HD22  LEU   8          1HD2      LEU   8  -1.079  11.424   2.495
   65   HD23  LEU   8          2HD2      LEU   8  -1.563  10.970   4.130
   66    H    GLU   9           H        GLU   9  -2.562   8.634   6.214
   67    HA   GLU   9           HA       GLU   9  -2.263   6.413   8.027
   68    HB2  GLU   9           2HB      GLU   9  -4.183   8.278   8.009
   69    HB3  GLU   9           1HB      GLU   9  -4.962   7.107   6.947
   70    HG2  GLU   9           2HG      GLU   9  -3.883   6.256   9.567
   71    HG3  GLU   9           1HG      GLU   9  -5.495   7.017   9.511
   72    H    SER  10           H        SER  10  -3.035   4.336   7.636
   73    HA   SER  10           HA       SER  10  -2.312   3.522   5.013
   74    HB2  SER  10           2HB      SER  10  -2.138   1.428   6.085
   75    HB3  SER  10           1HB      SER  10  -1.525   2.784   7.112
   76    HG   SER  10           HG       SER  10  -3.760   2.701   8.103
   77    H    CYS  11           H        CYS  11  -3.631   1.936   3.834
   78    HA   CYS  11           HA       CYS  11  -6.027   1.068   4.891
   79    HB2  CYS  11           2HB      CYS  11  -6.731   3.449   3.892
   80    HB3  CYS  11           1HB      CYS  11  -6.385   2.643   2.360
   81    H    ALA  12           H        ALA  12  -7.063  -0.210   3.070
   82    HA   ALA  12           HA       ALA  12  -4.938  -1.293   1.397
   83    HB1  ALA  12           1HB      ALA  12  -5.838  -3.548   1.860
   84    HB2  ALA  12           2HB      ALA  12  -6.945  -2.839   3.040
   85    HB3  ALA  12           3HB      ALA  12  -5.205  -2.779   3.317
   86    H    CYS  13           H        CYS  13  -5.609  -1.598  -0.665
   87    HA   CYS  13           HA       CYS  13  -8.129  -0.688  -1.449
   88    HB2  CYS  13           2HB      CYS  13  -5.993  -2.306  -2.888
   89    HB3  CYS  13           1HB      CYS  13  -7.312  -1.441  -3.638
   90    H    ASN  14           H        ASN  14  -9.946  -1.646  -1.665
   91    HA   ASN  14           HA       ASN  14 -10.655  -3.930  -0.262
   92    HB2  ASN  14           2HB      ASN  14 -12.149  -2.054  -1.126
   93    HB3  ASN  14           1HB      ASN  14 -12.129  -2.852  -2.683
   94   HD21  ASN  14          1HD2      ASN  14 -12.379  -5.606  -1.395
   95   HD22  ASN  14          2HD2      ASN  14 -14.025  -5.641  -0.864
   96    H    GLU  15           H        GLU  15  -9.450  -3.627  -3.484
   97    HA   GLU  15           HA       GLU  15 -10.262  -6.148  -4.233
   98    HB2  GLU  15           2HB      GLU  15  -9.972  -4.150  -5.778
   99    HB3  GLU  15           1HB      GLU  15  -8.240  -4.357  -5.545
  100    HG2  GLU  15           2HG      GLU  15  -9.984  -6.488  -6.745
  101    HG3  GLU  15           1HG      GLU  15  -9.157  -5.259  -7.699
  102    H    THR  16           H        THR  16  -8.889  -7.999  -4.199
  103    HA   THR  16           HA       THR  16  -7.108  -8.292  -2.103
  104    HB   THR  16           HB       THR  16  -7.568  -9.976  -4.548
  105    HG1  THR  16           1HG      THR  16  -8.940  -9.498  -2.295
  106   HG21  THR  16          3HG2      THR  16  -6.154 -10.724  -1.957
  107   HG22  THR  16          1HG2      THR  16  -5.386 -10.463  -3.529
  108   HG23  THR  16          2HG2      THR  16  -6.508 -11.814  -3.298
  109    H    ASP  17           H        ASP  17  -6.368  -8.061  -5.588
  110    HA   ASP  17           HA       ASP  17  -3.657  -8.589  -5.091
  111    HB2  ASP  17           2HB      ASP  17  -4.682  -9.110  -7.227
  112    HB3  ASP  17           1HB      ASP  17  -4.997  -7.369  -7.421
  113    H    ASN  18           H        ASN  18  -5.606  -5.697  -5.579
  114    HA   ASN  18           HA       ASN  18  -3.514  -3.894  -5.863
  115    HB2  ASN  18           2HB      ASN  18  -6.398  -3.615  -5.279
  116    HB3  ASN  18           1HB      ASN  18  -5.358  -2.235  -5.008
  117   HD21  ASN  18          1HD2      ASN  18  -6.431  -4.550  -7.470
  118   HD22  ASN  18          2HD2      ASN  18  -6.064  -3.534  -8.812
  119    H    SER  19           H        SER  19  -4.549  -5.478  -3.212
  120    HA   SER  19           HA       SER  19  -3.614  -3.416  -1.431
  121    HB2  SER  19           2HB      SER  19  -3.853  -5.014   0.483
  122    HB3  SER  19           1HB      SER  19  -5.309  -4.829  -0.492
  123    HG   SER  19           HG       SER  19  -4.234  -6.854  -1.597
  124    H    CYS  20           H        CYS  20  -2.002  -5.517  -3.359
  125    HA   CYS  20           HA       CYS  20   0.420  -5.509  -1.759
  126    HB2  CYS  20           2HB      CYS  20  -0.354  -6.697  -4.362
  127    HB3  CYS  20           1HB      CYS  20   1.354  -6.486  -3.989
  128    H    LYS  21           H        LYS  21  -1.145  -3.343  -3.525
  129    HA   LYS  21           HA       LYS  21   1.278  -1.789  -3.908
  130    HB2  LYS  21           2HB      LYS  21  -1.431  -1.868  -5.285
  131    HB3  LYS  21           1HB      LYS  21  -0.418  -0.435  -5.293
  132    HG2  LYS  21           2HG      LYS  21  -0.221  -1.656  -7.374
  133    HG3  LYS  21           1HG      LYS  21   1.305  -1.616  -6.477
  134    HD2  LYS  21           2HD      LYS  21   1.117  -3.796  -7.478
  135    HD3  LYS  21           1HD      LYS  21   0.809  -3.990  -5.760
  136    HE2  LYS  21           2HE      LYS  21  -1.558  -4.164  -6.163
  137    HE3  LYS  21           1HE      LYS  21  -1.344  -3.798  -7.878
  138    HZ1  LYS  21           3HZ      LYS  21  -0.525  -6.349  -6.473
  139    HZ2  LYS  21           1HZ      LYS  21  -0.025  -5.957  -8.033
  140    HZ3  LYS  21           2HZ      LYS  21  -1.611  -6.132  -7.679
  141    H    VAL  22           H        VAL  22   1.455  -0.062  -3.118
  142    HA   VAL  22           HA       VAL  22   0.408  -0.215  -0.532
  143    HB   VAL  22           HB       VAL  22   2.280   1.708  -1.840
  144   HG11  VAL  22          1HG1      VAL  22   1.392   1.471   1.026
  145   HG12  VAL  22          2HG1      VAL  22   1.144   2.809  -0.114
  146   HG13  VAL  22          3HG1      VAL  22   2.789   2.437   0.460
  147   HG21  VAL  22          3HG2      VAL  22   2.589  -0.659   0.010
  148   HG22  VAL  22          1HG2      VAL  22   3.943   0.336  -0.516
  149   HG23  VAL  22          2HG2      VAL  22   3.001  -0.644  -1.678
  150    H    CYS  23           H        CYS  23  -1.430   0.257  -0.344
  151    HA   CYS  23           HA       CYS  23  -2.539   2.734  -1.436
  152    HB2  CYS  23           2HB      CYS  23  -4.087   1.116   0.512
  153    HB3  CYS  23           1HB      CYS  23  -4.567   2.101  -0.886
  154    H    CYS  24           H        CYS  24  -3.150   4.491  -0.212
  155    HA   CYS  24           HA       CYS  24  -2.475   4.490   2.635
  156    HB2  CYS  24           2HB      CYS  24  -2.050   6.694   0.592
  157    HB3  CYS  24           1HB      CYS  24  -1.697   6.820   2.305
  158    H    ARG  25           H        ARG  25  -3.702   6.756   3.449
  159    HA   ARG  25           HA       ARG  25  -6.270   6.662   2.091
  160    HB2  ARG  25           2HB      ARG  25  -5.900   5.731   4.523
  161    HB3  ARG  25           1HB      ARG  25  -5.936   7.448   4.919
  162    HG2  ARG  25           2HG      ARG  25  -8.073   7.542   3.516
  163    HG3  ARG  25           1HG      ARG  25  -8.001   5.774   3.642
  164    HD2  ARG  25           2HD      ARG  25  -7.994   7.663   5.899
  165    HD3  ARG  25           1HD      ARG  25  -9.441   6.859   5.285
  166    HE   ARG  25           HE       ARG  25  -7.310   5.633   6.890
  167   HH11  ARG  25          1HH1      ARG  25 -10.115   4.979   4.815
  168   HH12  ARG  25          2HH1      ARG  25 -10.266   3.369   5.347
  169   HH21  ARG  25          1HH2      ARG  25  -7.486   3.667   7.579
  170   HH22  ARG  25          2HH2      ARG  25  -8.673   2.524   7.073
  171    H    ASP  26           H        ASP  26  -7.340   8.633   2.090
  172    HA   ASP  26           HA       ASP  26  -5.498  10.867   2.214
  173    HB2  ASP  26           2HB      ASP  26  -6.203  11.568   0.113
  174    HB3  ASP  26           1HB      ASP  26  -6.376   9.808   0.013
  175    H    LEU  27           H        LEU  27  -7.031  12.754   1.907
  176    HA   LEU  27           HA       LEU  27  -7.985  13.341   4.400
  177    HB2  LEU  27           2HB      LEU  27  -8.763  14.928   1.982
  178    HB3  LEU  27           1HB      LEU  27  -8.555  15.511   3.619
  179    HG   LEU  27           HG       LEU  27  -6.059  14.655   3.126
  180   HD11  LEU  27          1HD1      LEU  27  -5.375  15.173   0.861
  181   HD12  LEU  27          2HD1      LEU  27  -7.037  15.559   0.437
  182   HD13  LEU  27          3HD1      LEU  27  -6.611  13.907   0.838
  183   HD21  LEU  27          3HD2      LEU  27  -7.199  17.322   2.281
  184   HD22  LEU  27          1HD2      LEU  27  -5.494  16.989   2.585
  185   HD23  LEU  27          2HD2      LEU  27  -6.661  16.887   3.903
  186    H    SER  28           H        SER  28  -9.634  12.103   1.628
  187    HA   SER  28           HA       SER  28 -12.211  12.899   2.501
  188    HB2  SER  28           2HB      SER  28 -11.679  12.923   0.106
  189    HB3  SER  28           1HB      SER  28 -11.329  11.201   0.150
  190    HG   SER  28           HG       SER  28 -13.674  11.278   1.079
  191    H    GLY  29           H        GLY  29 -10.068  10.606   3.382
  192    HA2  GLY  29           2HA      GLY  29 -10.183   8.985   4.693
  193    HA3  GLY  29           1HA      GLY  29 -11.968   8.979   4.708
  194    H    ARG  30           H        ARG  30 -10.844   8.980   1.619
  195    HA   ARG  30           HA       ARG  30 -11.642   6.376   0.989
  196    HB2  ARG  30           2HB      ARG  30 -12.289   8.112  -0.335
  197    HB3  ARG  30           1HB      ARG  30 -10.746   8.911  -0.221
  198    HG2  ARG  30           2HG      ARG  30  -9.832   7.153  -1.711
  199    HG3  ARG  30           1HG      ARG  30 -11.502   6.580  -1.926
  200    HD2  ARG  30           2HD      ARG  30 -10.999   8.239  -3.675
  201    HD3  ARG  30           1HD      ARG  30 -12.189   8.774  -2.450
  202    HE   ARG  30           HE       ARG  30  -9.791   9.679  -1.520
  203   HH11  ARG  30          1HH1      ARG  30 -11.640  10.255  -4.463
  204   HH12  ARG  30          2HH1      ARG  30 -11.293  11.927  -4.546
  205   HH21  ARG  30          1HH2      ARG  30  -9.354  11.928  -1.548
  206   HH22  ARG  30          2HH2      ARG  30  -9.905  12.928  -2.805
  207    H    CYS  31           H        CYS  31 -10.314   4.799   0.181
  208    HA   CYS  31           HA       CYS  31  -7.536   4.900   0.970
  209    HB2  CYS  31           2HB      CYS  31  -9.162   2.637  -0.176
  210    HB3  CYS  31           1HB      CYS  31  -7.640   2.506   0.709
  211    H    VAL  32           H        VAL  32  -5.917   5.117  -0.496
  212    HA   VAL  32           HA       VAL  32  -6.630   4.979  -3.214
  213    HB   VAL  32           HB       VAL  32  -5.037   7.044  -3.517
  214   HG11  VAL  32          1HG1      VAL  32  -7.318   6.958  -4.151
  215   HG12  VAL  32          2HG1      VAL  32  -6.979   8.530  -3.395
  216   HG13  VAL  32          3HG1      VAL  32  -7.865   7.279  -2.501
  217   HG21  VAL  32          3HG2      VAL  32  -4.427   7.063  -1.102
  218   HG22  VAL  32          1HG2      VAL  32  -6.071   7.532  -0.706
  219   HG23  VAL  32          2HG2      VAL  32  -5.069   8.628  -1.651
  220    HA   PRO  33           HA       PRO  33  -2.668   2.919  -3.505
  221    HB2  PRO  33           2HB      PRO  33  -2.152   3.446  -6.157
  222    HB3  PRO  33           1HB      PRO  33  -3.290   2.186  -5.639
  223    HG2  PRO  33           2HG      PRO  33  -3.870   4.933  -6.610
  224    HG3  PRO  33           1HG      PRO  33  -4.729   3.413  -6.934
  225    HD2  PRO  33           2HD      PRO  33  -5.661   5.219  -5.127
  226    HD3  PRO  33           1HD      PRO  33  -5.878   3.469  -4.945
  227    H    TYR  34           H        TYR  34  -0.734   3.783  -2.780
  228    HA   TYR  34           HA       TYR  34  -0.385   6.551  -2.962
  229    HB2  TYR  34           2HB      TYR  34   0.562   6.022  -1.083
  230    HB3  TYR  34           1HB      TYR  34   0.977   4.371  -1.554
  231    HD1  TYR  34           1HD      TYR  34   2.159   8.015  -2.217
  232    HD2  TYR  34           2HD      TYR  34   3.267   3.868  -1.659
  233    HE1  TYR  34           1HE      TYR  34   4.376   8.569  -2.397
  234    HE2  TYR  34           2HE      TYR  34   5.524   4.493  -1.833
  235    HH   TYR  34           HH       TYR  34   6.494   7.928  -2.089
  236    H    VAL  35           H        VAL  35   0.461   7.823  -4.242
  237    HA   VAL  35           HA       VAL  35   2.852   7.261  -5.642
  238    HB   VAL  35           HB       VAL  35   1.151   9.183  -6.896
  239   HG11  VAL  35          1HG1      VAL  35   2.643   6.933  -8.089
  240   HG12  VAL  35          2HG1      VAL  35   3.166   8.582  -7.733
  241   HG13  VAL  35          3HG1      VAL  35   1.925   8.308  -8.959
  242   HG21  VAL  35          3HG2      VAL  35  -0.448   7.784  -8.120
  243   HG22  VAL  35          1HG2      VAL  35  -0.662   7.622  -6.373
  244   HG23  VAL  35          2HG2      VAL  35   0.159   6.345  -7.280
  245    H    ASP  36           H        ASP  36   3.988   9.095  -5.108
  246    HA   ASP  36           HA       ASP  36   2.517  11.339  -3.853
  247    HB2  ASP  36           2HB      ASP  36   4.674  11.990  -3.010
  248    HB3  ASP  36           1HB      ASP  36   4.263  10.334  -2.551
  249    H    ALA  37           H        ALA  37   4.118  13.166  -4.191
  250    HA   ALA  37           HA       ALA  37   2.328  13.809  -6.130
  251    HB1  ALA  37           1HB      ALA  37   2.838  16.105  -5.511
  252    HB2  ALA  37           2HB      ALA  37   4.305  15.457  -4.703
  253    HB3  ALA  37           3HB      ALA  37   2.700  14.909  -4.174
  254    H    GLU  38           H        GLU  38   5.628  13.089  -5.941
  255    HA   GLU  38           HA       GLU  38   6.420  14.206  -8.303
  256    HB2  GLU  38           2HB      GLU  38   7.493  12.337  -6.378
  257    HB3  GLU  38           1HB      GLU  38   8.533  12.998  -7.675
  258    HG2  GLU  38           2HG      GLU  38   9.033  14.666  -6.153
  259    HG3  GLU  38           1HG      GLU  38   7.343  15.155  -6.379
  260    H    GLN  39           H        GLN  39   4.346  11.615  -7.640
  261    HA   GLN  39           HA       GLN  39   3.546  10.063  -8.683
  262    HB2  GLN  39           2HB      GLN  39   5.371  11.186 -10.571
  263    HB3  GLN  39           1HB      GLN  39   4.428   9.754 -11.123
  264    HG2  GLN  39           2HG      GLN  39   3.422  12.360 -10.020
  265    HG3  GLN  39           1HG      GLN  39   3.449  12.007 -11.764
  266   HE21  GLN  39          1HE2      GLN  39   1.975  10.422 -12.521
  267   HE22  GLN  39          2HE2      GLN  39   0.563  10.009 -11.594
  268    H    LYS  40           H        LYS  40   5.876   9.604  -6.890
  269    HA   LYS  40           HA       LYS  40   7.270   7.411  -8.081
  270    HB2  LYS  40           2HB      LYS  40   6.910   8.200  -5.252
  271    HB3  LYS  40           1HB      LYS  40   8.053   6.969  -5.858
  272    HG2  LYS  40           2HG      LYS  40   9.114   8.784  -7.115
  273    HG3  LYS  40           1HG      LYS  40   8.029   9.926  -6.279
  274    HD2  LYS  40           2HD      LYS  40   9.024   8.551  -4.165
  275    HD3  LYS  40           1HD      LYS  40  10.412   8.480  -5.252
  276    HE2  LYS  40           2HE      LYS  40  10.624  10.412  -3.834
  277    HE3  LYS  40           1HE      LYS  40  10.282  10.950  -5.480
  278    HZ1  LYS  40           3HZ      LYS  40   8.846  12.179  -3.900
  279    HZ2  LYS  40           1HZ      LYS  40   8.248  10.716  -3.310
  280    HZ3  LYS  40           2HZ      LYS  40   7.913  11.132  -4.822
  281    H    ASN  41           H        ASN  41   6.810   5.398  -7.798
  282    HA   ASN  41           HA       ASN  41   4.171   4.815  -6.692
  283    HB2  ASN  41           2HB      ASN  41   5.663   3.848  -9.027
  284    HB3  ASN  41           1HB      ASN  41   4.422   2.788  -8.308
  285   HD21  ASN  41          1HD2      ASN  41   5.025   5.816 -10.047
  286   HD22  ASN  41          2HD2      ASN  41   3.381   6.067 -10.489
  287    H    LEU  42           H        LEU  42   3.973   2.975  -5.478
  288    HA   LEU  42           HA       LEU  42   6.424   1.586  -4.832
  289    HB2  LEU  42           2HB      LEU  42   6.462   3.153  -3.134
  290    HB3  LEU  42           1HB      LEU  42   4.716   3.148  -2.988
  291    HG   LEU  42           HG       LEU  42   4.723   1.180  -1.958
  292   HD11  LEU  42          1HD1      LEU  42   6.872   0.053  -1.061
  293   HD12  LEU  42          2HD1      LEU  42   7.794   1.215  -2.019
  294   HD13  LEU  42          3HD1      LEU  42   6.761   0.028  -2.821
  295   HD21  LEU  42          3HD2      LEU  42   5.854   1.714   0.231
  296   HD22  LEU  42          1HD2      LEU  42   4.762   2.894  -0.478
  297   HD23  LEU  42          2HD2      LEU  42   6.522   3.134  -0.588
  298    H    PHE  43           H        PHE  43   6.228  -0.386  -5.078
  299    HA   PHE  43           HA       PHE  43   3.764  -1.743  -5.099
  300    HB2  PHE  43           2HB      PHE  43   5.520  -1.638  -6.921
  301    HB3  PHE  43           1HB      PHE  43   6.562  -2.549  -5.858
  302    HD1  PHE  43           2HD      PHE  43   3.513  -2.635  -7.886
  303    HD2  PHE  43           1HD      PHE  43   6.348  -4.916  -5.696
  304    HE1  PHE  43           2HE      PHE  43   2.665  -4.683  -8.941
  305    HE2  PHE  43           1HE      PHE  43   5.515  -6.969  -6.754
  306    HZ   PHE  43           HZ       PHE  43   3.668  -6.850  -8.387
  307    H    LEU  44           H        LEU  44   3.373  -3.199  -3.227
  308    HA   LEU  44           HA       LEU  44   4.890  -2.852  -1.108
  309    HB2  LEU  44           2HB      LEU  44   2.413  -3.683  -1.268
  310    HB3  LEU  44           1HB      LEU  44   3.242  -5.238  -1.408
  311    HG   LEU  44           HG       LEU  44   3.997  -5.262   0.780
  312   HD11  LEU  44          1HD1      LEU  44   4.706  -2.926   0.976
  313   HD12  LEU  44          2HD1      LEU  44   3.708  -3.416   2.341
  314   HD13  LEU  44          3HD1      LEU  44   3.017  -2.423   1.059
  315   HD21  LEU  44          3HD2      LEU  44   1.190  -4.165   0.737
  316   HD22  LEU  44          1HD2      LEU  44   1.913  -5.075   2.063
  317   HD23  LEU  44          2HD2      LEU  44   1.656  -5.847   0.499
  318    H    ARG  45           H        ARG  45   5.649  -5.013   0.163
  319    HA   ARG  45           HA       ARG  45   7.332  -6.516  -1.612
  320    HB2  ARG  45           2HB      ARG  45   7.835  -4.741   0.320
  321    HB3  ARG  45           1HB      ARG  45   8.250  -6.286   1.059
  322    HG2  ARG  45           2HG      ARG  45  10.316  -5.433   0.035
  323    HG3  ARG  45           1HG      ARG  45   9.757  -6.847  -0.842
  324    HD2  ARG  45           2HD      ARG  45   9.404  -3.959  -1.716
  325    HD3  ARG  45           1HD      ARG  45  10.594  -5.083  -2.361
  326    HE   ARG  45           HE       ARG  45   7.686  -5.163  -2.766
  327   HH11  ARG  45          1HH1      ARG  45  10.891  -6.253  -3.837
  328   HH12  ARG  45          2HH1      ARG  45  10.290  -7.105  -5.179
  329   HH21  ARG  45          1HH2      ARG  45   6.880  -6.311  -4.502
  330   HH22  ARG  45          2HH2      ARG  45   7.859  -7.176  -5.582
  331    H    LYS  46           H        LYS  46   8.357  -8.366  -0.219
  332    HA   LYS  46           HA       LYS  46   6.285 -10.309   0.023
  333    HB2  LYS  46           2HB      LYS  46   8.467 -10.679  -1.063
  334    HB3  LYS  46           1HB      LYS  46   9.254 -10.530   0.491
  335    HG2  LYS  46           2HG      LYS  46   8.030 -12.559   1.249
  336    HG3  LYS  46           1HG      LYS  46   7.370 -12.724  -0.383
  337    HD2  LYS  46           2HD      LYS  46   9.680 -12.814  -1.276
  338    HD3  LYS  46           1HD      LYS  46  10.299 -12.736   0.369
  339    HE2  LYS  46           2HE      LYS  46  10.366 -15.022  -0.329
  340    HE3  LYS  46           1HE      LYS  46   9.064 -14.865   0.845
  341    HZ1  LYS  46           3HZ      LYS  46   8.623 -14.835  -2.099
  342    HZ2  LYS  46           1HZ      LYS  46   7.454 -14.895  -0.945
  343    HZ3  LYS  46           2HZ      LYS  46   8.427 -16.220  -1.156
  344    H    GLY  47           H        GLY  47   5.160 -10.697   1.681
  345    HA2  GLY  47           2HA      GLY  47   4.737 -11.590   3.730
  346    HA3  GLY  47           1HA      GLY  47   6.406 -11.255   4.249
  347    H    LYS  48           H        LYS  48   4.484  -8.804   2.726
  348    HA   LYS  48           HA       LYS  48   4.094  -7.644   5.346
  349    HB2  LYS  48           2HB      LYS  48   4.477  -6.644   2.668
  350    HB3  LYS  48           1HB      LYS  48   3.221  -5.754   3.537
  351    HG2  LYS  48           2HG      LYS  48   4.959  -4.463   4.260
  352    HG3  LYS  48           1HG      LYS  48   5.232  -5.772   5.390
  353    HD2  LYS  48           2HD      LYS  48   6.622  -5.432   2.721
  354    HD3  LYS  48           1HD      LYS  48   7.295  -4.972   4.275
  355    HE2  LYS  48           2HE      LYS  48   6.597  -7.762   3.370
  356    HE3  LYS  48           1HE      LYS  48   8.214  -7.079   3.472
  357    HZ1  LYS  48           3HZ      LYS  48   6.386  -7.757   5.724
  358    HZ2  LYS  48           1HZ      LYS  48   7.847  -6.891   5.933
  359    HZ3  LYS  48           2HZ      LYS  48   7.835  -8.461   5.309
  360    HA   PRO  49           HA       PRO  49  -0.121  -8.943   5.258
  361    HB2  PRO  49           2HB      PRO  49  -0.843  -6.452   6.666
  362    HB3  PRO  49           1HB      PRO  49  -0.992  -8.132   7.220
  363    HG2  PRO  49           2HG      PRO  49   0.816  -6.515   8.274
  364    HG3  PRO  49           1HG      PRO  49   1.154  -8.238   7.992
  365    HD2  PRO  49           2HD      PRO  49   2.038  -5.872   6.401
  366    HD3  PRO  49           1HD      PRO  49   2.930  -7.336   6.870
  367    H    CYS  50           H        CYS  50  -1.822  -8.732   3.952
  368    HA   CYS  50           HA       CYS  50  -2.515  -6.181   2.873
  369    HB2  CYS  50           2HB      CYS  50  -2.589  -7.085   0.613
  370    HB3  CYS  50           1HB      CYS  50  -0.996  -7.366   1.318
  371    H    THR  51           H        THR  51  -4.581  -7.435   1.190
  372    HA   THR  51           HA       THR  51  -6.735  -7.504   2.931
  373    HB   THR  51           HB       THR  51  -7.841  -8.772   0.969
  374    HG1  THR  51           1HG      THR  51  -5.563  -7.909  -0.453
  375   HG21  THR  51          3HG2      THR  51  -6.489  -6.145   0.583
  376   HG22  THR  51          1HG2      THR  51  -8.068  -6.374   1.350
  377   HG23  THR  51          2HG2      THR  51  -7.849  -6.742  -0.382
  378    H    VAL  52           H        VAL  52  -5.684 -10.189   1.083
  379    HA   VAL  52           HA       VAL  52  -7.133 -12.046   2.767
  380    HB   VAL  52           HB       VAL  52  -6.643 -13.759   1.096
  381   HG11  VAL  52          1HG1      VAL  52  -7.609 -11.125  -0.007
  382   HG12  VAL  52          2HG1      VAL  52  -8.595 -12.350   0.797
  383   HG13  VAL  52          3HG1      VAL  52  -7.865 -12.689  -0.776
  384   HG21  VAL  52          3HG2      VAL  52  -4.390 -12.933   0.441
  385   HG22  VAL  52          1HG2      VAL  52  -5.157 -11.587  -0.393
  386   HG23  VAL  52          2HG2      VAL  52  -5.430 -13.228  -0.955
  387    H    GLY  53           H        GLY  53  -4.081 -10.926   3.185
  388    HA2  GLY  53           2HA      GLY  53  -3.282 -12.453   5.113
  389    HA3  GLY  53           1HA      GLY  53  -2.857 -13.477   3.733
  390    H    PHE  54           H        PHE  54  -0.857 -13.208   2.961
  391    HA   PHE  54           HA       PHE  54   0.398 -10.631   3.505
  392    HB2  PHE  54           2HB      PHE  54   1.720 -13.355   3.372
  393    HB3  PHE  54           1HB      PHE  54   2.607 -11.837   3.443
  394    HD1  PHE  54           2HD      PHE  54   2.434 -10.409   5.456
  395    HD2  PHE  54           1HD      PHE  54   0.794 -14.334   5.325
  396    HE1  PHE  54           2HE      PHE  54   2.332 -10.441   7.911
  397    HE2  PHE  54           1HE      PHE  54   0.687 -14.372   7.784
  398    HZ   PHE  54           HZ       PHE  54   1.459 -12.425   9.079
  399    H    CYS  55           H        CYS  55   1.769  -9.869   2.036
  400    HA   CYS  55           HA       CYS  55   1.054 -10.456  -0.730
  401    HB2  CYS  55           2HB      CYS  55   0.994  -8.153   0.241
  402    HB3  CYS  55           1HB      CYS  55   2.742  -8.320   0.478
  403    H    ASP  56           H        ASP  56   2.603 -11.318  -2.125
  404    HA   ASP  56           HA       ASP  56   5.195 -11.839  -0.853
  405    HB2  ASP  56           2HB      ASP  56   3.794 -13.681  -2.110
  406    HB3  ASP  56           1HB      ASP  56   4.490 -12.951  -3.559
  407    H    MET  57           H        MET  57   6.993 -11.928  -2.987
  408    HA   MET  57           HA       MET  57   7.449  -9.208  -3.397
  409    HB2  MET  57           2HB      MET  57   9.196 -10.829  -2.885
  410    HB3  MET  57           1HB      MET  57   8.753 -11.768  -4.301
  411    HG2  MET  57           2HG      MET  57   9.352 -10.125  -5.690
  412    HG3  MET  57           1HG      MET  57   9.625  -8.972  -4.365
  413    HE1  MET  57           3HE      MET  57  10.684 -12.795  -4.674
  414    HE2  MET  57           1HE      MET  57  12.330 -12.641  -5.287
  415    HE3  MET  57           2HE      MET  57  10.966 -12.134  -6.285
  416    H    ASN  58           H        ASN  58   5.807 -11.699  -4.933
  417    HA   ASN  58           HA       ASN  58   5.894 -11.005  -7.667
  418    HB2  ASN  58           2HB      ASN  58   5.087 -13.176  -6.906
  419    HB3  ASN  58           1HB      ASN  58   3.793 -12.419  -6.002
  420   HD21  ASN  58          1HD2      ASN  58   4.662 -11.464  -9.311
  421   HD22  ASN  58          2HD2      ASN  58   3.213 -12.072 -10.012
  422    H    GLY  59           H        GLY  59   4.139  -9.731  -4.914
  423    HA2  GLY  59           2HA      GLY  59   3.003  -7.678  -4.826
  424    HA3  GLY  59           1HA      GLY  59   3.046  -7.622  -6.586
  425    H    LYS  60           H        LYS  60   2.079 -10.363  -4.807
  426    HA   LYS  60           HA       LYS  60  -0.848  -9.968  -5.092
  427    HB2  LYS  60           2HB      LYS  60   0.336 -11.435  -7.029
  428    HB3  LYS  60           1HB      LYS  60   0.551 -12.469  -5.603
  429    HG2  LYS  60           2HG      LYS  60  -1.842 -12.596  -5.262
  430    HG3  LYS  60           1HG      LYS  60  -2.114 -11.579  -6.677
  431    HD2  LYS  60           2HD      LYS  60  -2.458 -13.897  -7.284
  432    HD3  LYS  60           1HD      LYS  60  -1.001 -13.302  -8.078
  433    HE2  LYS  60           2HE      LYS  60  -0.605 -15.532  -7.197
  434    HE3  LYS  60           1HE      LYS  60   0.371 -14.375  -6.305
  435    HZ1  LYS  60           3HZ      LYS  60  -2.076 -15.804  -5.319
  436    HZ2  LYS  60           1HZ      LYS  60  -1.499 -14.442  -4.558
  437    HZ3  LYS  60           2HZ      LYS  60  -0.576 -15.754  -4.649
  438    H    CYS  61           H        CYS  61  -1.832 -11.158  -3.866
  439    HA   CYS  61           HA       CYS  61  -0.532 -11.657  -1.312
  440    HB2  CYS  61           2HB      CYS  61  -3.119 -11.066  -2.439
  441    HB3  CYS  61           1HB      CYS  61  -3.093 -11.662  -0.731
  442    H    GLU  62           H        GLU  62  -0.781 -13.716  -0.342
  443    HA   GLU  62           HA       GLU  62  -0.396 -15.892  -0.513
  444    HB2  GLU  62           2HB      GLU  62  -3.224 -15.362  -0.972
  445    HB3  GLU  62           1HB      GLU  62  -2.697 -16.991  -0.434
  446    HG2  GLU  62           2HG      GLU  62  -2.766 -14.311   0.984
  447    HG3  GLU  62           1HG      GLU  62  -3.590 -15.791   1.452
  Start of MODEL    5
    1    H    PHE   1           1HT      PHE   1   7.588   5.826   3.770
    2    HA   PHE   1           HA       PHE   1   5.646   4.972   1.775
    3    HB2  PHE   1           2HB      PHE   1   5.911   3.820   4.584
    4    HB3  PHE   1           1HB      PHE   1   4.611   3.516   3.424
    5    HD1  PHE   1           1HD      PHE   1   8.181   2.920   4.086
    6    HD2  PHE   1           2HD      PHE   1   4.759   2.085   1.807
    7    HE1  PHE   1           1HE      PHE   1   9.358   0.967   3.147
    8    HE2  PHE   1           2HE      PHE   1   5.920   0.057   0.808
    9    HZ   PHE   1           HZ       PHE   1   8.216  -0.467   1.498
   10    H    CYS   2           H        CYS   2   3.437   4.891   3.185
   11    HA   CYS   2           HA       CYS   2   2.483   7.419   3.025
   12    HB2  CYS   2           2HB      CYS   2   1.492   5.316   4.938
   13    HB3  CYS   2           1HB      CYS   2   0.573   6.711   4.381
   14    H    GLU   3           H        GLU   3   3.675   6.012   6.073
   15    HA   GLU   3           HA       GLU   3   3.008   8.101   7.786
   16    HB2  GLU   3           2HB      GLU   3   3.788   5.816   8.465
   17    HB3  GLU   3           1HB      GLU   3   5.407   6.245   7.974
   18    HG2  GLU   3           2HG      GLU   3   3.876   7.561  10.235
   19    HG3  GLU   3           1HG      GLU   3   5.046   6.269  10.437
   20    H    ARG   4           H        ARG   4   6.268   7.461   6.555
   21    HA   ARG   4           HA       ARG   4   7.201   9.877   7.485
   22    HB2  ARG   4           2HB      ARG   4   8.489   7.726   7.142
   23    HB3  ARG   4           1HB      ARG   4   8.615   8.180   5.449
   24    HG2  ARG   4           2HG      ARG   4  10.611   8.950   6.335
   25    HG3  ARG   4           1HG      ARG   4   9.583  10.383   6.335
   26    HD2  ARG   4           2HD      ARG   4  10.339   8.642   8.693
   27    HD3  ARG   4           1HD      ARG   4  10.706  10.344   8.454
   28    HE   ARG   4           HE       ARG   4   8.158   9.155   9.270
   29   HH11  ARG   4          1HH1      ARG   4   9.954  12.145   8.593
   30   HH12  ARG   4          2HH1      ARG   4   8.800  13.145   9.372
   31   HH21  ARG   4          1HH2      ARG   4   6.683  10.468  10.281
   32   HH22  ARG   4          2HH2      ARG   4   6.816  12.164  10.337
   33    H    GLU   5           H        GLU   5   5.617   9.127   4.566
   34    HA   GLU   5           HA       GLU   5   6.913  11.330   3.161
   35    HB2  GLU   5           2HB      GLU   5   5.105   9.199   2.044
   36    HB3  GLU   5           1HB      GLU   5   5.988  10.395   1.095
   37    HG2  GLU   5           2HG      GLU   5   8.138   9.342   2.129
   38    HG3  GLU   5           1HG      GLU   5   7.021   8.079   2.675
   39    H    GLN   6           H        GLN   6   3.634  10.382   4.306
   40    HA   GLN   6           HA       GLN   6   2.634  12.955   3.199
   41    HB2  GLN   6           2HB      GLN   6   1.101  10.388   3.563
   42    HB3  GLN   6           1HB      GLN   6   0.492  11.883   2.883
   43    HG2  GLN   6           2HG      GLN   6   2.623  10.150   1.712
   44    HG3  GLN   6           1HG      GLN   6   0.903  10.190   1.247
   45   HE21  GLN   6          1HE2      GLN   6   3.362  10.791  -0.313
   46   HE22  GLN   6          2HE2      GLN   6   3.182  12.361  -0.938
   47    H    GLN   7           H        GLN   7   3.382  11.218   5.876
   48    HA   GLN   7           HA       GLN   7   2.827  10.918   7.807
   49    HB2  GLN   7           2HB      GLN   7   1.587  13.664   7.611
   50    HB3  GLN   7           1HB      GLN   7   1.731  12.824   9.150
   51    HG2  GLN   7           2HG      GLN   7   4.073  13.238   7.366
   52    HG3  GLN   7           1HG      GLN   7   3.577  14.506   8.493
   53   HE21  GLN   7          1HE2      GLN   7   3.351  11.079   9.303
   54   HE22  GLN   7          2HE2      GLN   7   4.646  10.994  10.388
   55    H    LEU   8           H        LEU   8   1.044  10.025   5.842
   56    HA   LEU   8           HA       LEU   8  -1.569   9.596   7.173
   57    HB2  LEU   8           2HB      LEU   8  -0.482   8.701   4.517
   58    HB3  LEU   8           1HB      LEU   8  -2.094   8.386   5.132
   59    HG   LEU   8           HG       LEU   8  -0.960  11.029   4.745
   60   HD11  LEU   8          1HD1      LEU   8  -2.419  11.089   2.600
   61   HD12  LEU   8          2HD1      LEU   8  -2.650   9.348   2.829
   62   HD13  LEU   8          3HD1      LEU   8  -1.039   9.999   2.520
   63   HD21  LEU   8          3HD2      LEU   8  -3.796  10.122   5.140
   64   HD22  LEU   8          1HD2      LEU   8  -3.361  11.777   4.708
   65   HD23  LEU   8          2HD2      LEU   8  -2.804  11.088   6.230
   66    H    GLU   9           H        GLU   9  -2.194   7.488   7.044
   67    HA   GLU   9           HA       GLU   9   0.053   5.737   7.721
   68    HB2  GLU   9           2HB      GLU   9  -1.253   4.427   9.202
   69    HB3  GLU   9           1HB      GLU   9  -1.713   6.079   9.575
   70    HG2  GLU   9           2HG      GLU   9  -3.155   4.333   7.711
   71    HG3  GLU   9           1HG      GLU   9  -3.543   4.338   9.431
   72    H    SER  10           H        SER  10  -0.440   3.385   7.160
   73    HA   SER  10           HA       SER  10  -1.132   3.420   4.433
   74    HB2  SER  10           2HB      SER  10   0.029   1.347   4.512
   75    HB3  SER  10           1HB      SER  10   0.837   2.728   5.371
   76    HG   SER  10           HG       SER  10  -0.748   1.119   6.940
   77    H    CYS  11           H        CYS  11  -2.538   1.969   3.643
   78    HA   CYS  11           HA       CYS  11  -4.251   0.450   5.408
   79    HB2  CYS  11           2HB      CYS  11  -5.501   2.702   5.092
   80    HB3  CYS  11           1HB      CYS  11  -5.442   2.392   3.360
   81    H    ALA  12           H        ALA  12  -5.959  -0.554   3.494
   82    HA   ALA  12           HA       ALA  12  -4.080  -1.615   1.516
   83    HB1  ALA  12           1HB      ALA  12  -5.138  -3.802   1.767
   84    HB2  ALA  12           2HB      ALA  12  -6.194  -3.148   3.020
   85    HB3  ALA  12           3HB      ALA  12  -4.458  -3.252   3.302
   86    H    CYS  13           H        CYS  13  -4.806  -1.507  -0.514
   87    HA   CYS  13           HA       CYS  13  -7.378  -0.458  -1.101
   88    HB2  CYS  13           2HB      CYS  13  -5.258  -1.762  -2.847
   89    HB3  CYS  13           1HB      CYS  13  -6.681  -0.938  -3.436
   90    H    ASN  14           H        ASN  14  -9.196  -1.420  -1.461
   91    HA   ASN  14           HA       ASN  14  -9.828  -3.943  -0.494
   92    HB2  ASN  14           2HB      ASN  14 -11.428  -2.069  -0.896
   93    HB3  ASN  14           1HB      ASN  14 -11.302  -2.399  -2.620
   94   HD21  ASN  14          1HD2      ASN  14 -12.443  -4.169  -3.486
   95   HD22  ASN  14          2HD2      ASN  14 -13.580  -5.060  -2.533
   96    H    GLU  15           H        GLU  15  -8.593  -3.099  -3.552
   97    HA   GLU  15           HA       GLU  15  -9.460  -5.354  -4.862
   98    HB2  GLU  15           2HB      GLU  15  -8.966  -3.124  -5.928
   99    HB3  GLU  15           1HB      GLU  15  -7.265  -3.441  -5.632
  100    HG2  GLU  15           2HG      GLU  15  -8.948  -5.211  -7.374
  101    HG3  GLU  15           1HG      GLU  15  -8.079  -3.804  -7.983
  102    H    THR  16           H        THR  16  -8.136  -7.242  -5.296
  103    HA   THR  16           HA       THR  16  -6.553  -8.269  -3.264
  104    HB   THR  16           HB       THR  16  -6.819  -9.104  -6.141
  105    HG1  THR  16           1HG      THR  16  -8.673  -9.740  -5.439
  106   HG21  THR  16          3HG2      THR  16  -5.789 -10.782  -3.811
  107   HG22  THR  16          1HG2      THR  16  -4.766  -9.987  -5.032
  108   HG23  THR  16          2HG2      THR  16  -5.914 -11.248  -5.506
  109    H    ASP  17           H        ASP  17  -5.460  -7.164  -6.474
  110    HA   ASP  17           HA       ASP  17  -2.815  -7.902  -5.972
  111    HB2  ASP  17           2HB      ASP  17  -3.703  -7.642  -8.245
  112    HB3  ASP  17           1HB      ASP  17  -3.966  -5.932  -7.882
  113    H    ASN  18           H        ASN  18  -4.673  -4.893  -5.755
  114    HA   ASN  18           HA       ASN  18  -2.366  -3.460  -5.015
  115    HB2  ASN  18           2HB      ASN  18  -5.197  -2.593  -5.415
  116    HB3  ASN  18           1HB      ASN  18  -3.976  -1.511  -4.744
  117   HD21  ASN  18          1HD2      ASN  18  -4.867  -3.411  -7.564
  118   HD22  ASN  18          2HD2      ASN  18  -3.866  -2.575  -8.675
  119    H    SER  19           H        SER  19  -4.148  -5.490  -3.296
  120    HA   SER  19           HA       SER  19  -3.944  -4.084  -0.811
  121    HB2  SER  19           2HB      SER  19  -4.336  -6.992  -1.502
  122    HB3  SER  19           1HB      SER  19  -4.004  -6.531   0.158
  123    HG   SER  19           HG       SER  19  -6.059  -5.330  -1.382
  124    H    CYS  20           H        CYS  20  -1.749  -5.493  -2.912
  125    HA   CYS  20           HA       CYS  20   0.310  -5.839  -0.903
  126    HB2  CYS  20           2HB      CYS  20   0.298  -6.399  -3.864
  127    HB3  CYS  20           1HB      CYS  20   1.557  -6.917  -2.755
  128    H    LYS  21           H        LYS  21  -0.911  -3.346  -2.636
  129    HA   LYS  21           HA       LYS  21   1.606  -1.879  -2.881
  130    HB2  LYS  21           2HB      LYS  21  -0.996  -1.953  -4.256
  131    HB3  LYS  21           1HB      LYS  21  -0.392  -0.367  -3.812
  132    HG2  LYS  21           2HG      LYS  21   0.159  -1.028  -6.050
  133    HG3  LYS  21           1HG      LYS  21   1.588  -0.699  -5.034
  134    HD2  LYS  21           2HD      LYS  21   2.060  -2.624  -6.425
  135    HD3  LYS  21           1HD      LYS  21   1.815  -3.175  -4.770
  136    HE2  LYS  21           2HE      LYS  21   0.727  -4.620  -6.423
  137    HE3  LYS  21           1HE      LYS  21  -0.416  -3.904  -5.296
  138    HZ1  LYS  21           3HZ      LYS  21   0.115  -2.891  -8.039
  139    HZ2  LYS  21           1HZ      LYS  21  -1.133  -2.358  -7.013
  140    HZ3  LYS  21           2HZ      LYS  21  -1.111  -3.937  -7.637
  141    H    VAL  22           H        VAL  22   1.788  -0.083  -2.319
  142    HA   VAL  22           HA       VAL  22   1.032   0.274   0.371
  143    HB   VAL  22           HB       VAL  22   2.624   1.929  -1.528
  144   HG11  VAL  22          1HG1      VAL  22   1.793   3.328   0.141
  145   HG12  VAL  22          2HG1      VAL  22   3.499   3.014   0.593
  146   HG13  VAL  22          3HG1      VAL  22   2.151   2.185   1.428
  147   HG21  VAL  22          3HG2      VAL  22   3.425  -0.086   0.592
  148   HG22  VAL  22          1HG2      VAL  22   4.529   0.913  -0.365
  149   HG23  VAL  22          2HG2      VAL  22   3.464  -0.297  -1.136
  150    H    CYS  23           H        CYS  23  -0.799   0.732   0.508
  151    HA   CYS  23           HA       CYS  23  -1.926   3.062  -0.890
  152    HB2  CYS  23           2HB      CYS  23  -3.554   1.078   0.723
  153    HB3  CYS  23           1HB      CYS  23  -4.098   2.315  -0.418
  154    H    CYS  24           H        CYS  24  -2.666   4.789   0.260
  155    HA   CYS  24           HA       CYS  24  -1.909   4.840   3.089
  156    HB2  CYS  24           2HB      CYS  24  -2.245   7.104   1.096
  157    HB3  CYS  24           1HB      CYS  24  -1.784   7.301   2.780
  158    H    ARG  25           H        ARG  25  -3.506   6.573   4.262
  159    HA   ARG  25           HA       ARG  25  -6.097   5.879   3.179
  160    HB2  ARG  25           2HB      ARG  25  -5.311   4.664   5.234
  161    HB3  ARG  25           1HB      ARG  25  -5.289   6.204   6.054
  162    HG2  ARG  25           2HG      ARG  25  -7.733   5.230   4.741
  163    HG3  ARG  25           1HG      ARG  25  -7.270   4.594   6.331
  164    HD2  ARG  25           2HD      ARG  25  -7.870   7.473   5.530
  165    HD3  ARG  25           1HD      ARG  25  -8.808   6.480   6.648
  166    HE   ARG  25           HE       ARG  25  -6.314   6.586   7.768
  167   HH11  ARG  25          1HH1      ARG  25  -8.444   9.146   6.672
  168   HH12  ARG  25          2HH1      ARG  25  -7.994  10.239   7.908
  169   HH21  ARG  25          1HH2      ARG  25  -5.666   7.912   9.281
  170   HH22  ARG  25          2HH2      ARG  25  -6.247   9.516   9.520
  171    H    ASP  26           H        ASP  26  -7.397   7.563   2.782
  172    HA   ASP  26           HA       ASP  26  -6.131  10.112   3.064
  173    HB2  ASP  26           2HB      ASP  26  -7.004  10.597   1.042
  174    HB3  ASP  26           1HB      ASP  26  -7.307   8.877   0.904
  175    H    LEU  27           H        LEU  27  -7.984  11.720   2.962
  176    HA   LEU  27           HA       LEU  27  -8.567  12.131   5.621
  177    HB2  LEU  27           2HB      LEU  27  -9.308  13.496   3.144
  178    HB3  LEU  27           1HB      LEU  27  -9.677  14.250   4.712
  179    HG   LEU  27           HG       LEU  27  -7.785  15.371   3.982
  180   HD11  LEU  27          1HD1      LEU  27  -5.817  14.599   5.180
  181   HD12  LEU  27          2HD1      LEU  27  -6.601  13.039   5.432
  182   HD13  LEU  27          3HD1      LEU  27  -7.286  14.496   6.155
  183   HD21  LEU  27          3HD2      LEU  27  -5.933  14.371   2.696
  184   HD22  LEU  27          1HD2      LEU  27  -7.507  14.101   1.930
  185   HD23  LEU  27          2HD2      LEU  27  -6.747  12.798   2.818
  186    H    SER  28           H        SER  28 -10.368  11.179   2.815
  187    HA   SER  28           HA       SER  28 -12.891  11.445   4.085
  188    HB2  SER  28           2HB      SER  28 -12.069  10.407   1.404
  189    HB3  SER  28           1HB      SER  28 -13.760  10.692   1.881
  190    HG   SER  28           HG       SER  28 -12.218  12.820   2.391
  191    H    GLY  29           H        GLY  29 -10.444   9.357   4.264
  192    HA2  GLY  29           2HA      GLY  29 -10.261   7.585   5.358
  193    HA3  GLY  29           1HA      GLY  29 -12.018   7.329   5.446
  194    H    ARG  30           H        ARG  30 -10.514   7.788   2.345
  195    HA   ARG  30           HA       ARG  30 -11.161   5.064   1.624
  196    HB2  ARG  30           2HB      ARG  30 -10.138   7.398   0.013
  197    HB3  ARG  30           1HB      ARG  30 -10.703   5.864  -0.637
  198    HG2  ARG  30           2HG      ARG  30 -12.922   6.310  -0.081
  199    HG3  ARG  30           1HG      ARG  30 -12.470   7.582   1.056
  200    HD2  ARG  30           2HD      ARG  30 -12.052   7.704  -1.915
  201    HD3  ARG  30           1HD      ARG  30 -13.407   8.449  -1.045
  202    HE   ARG  30           HE       ARG  30 -10.951   9.263   0.077
  203   HH11  ARG  30          1HH1      ARG  30 -12.879   9.824  -2.832
  204   HH12  ARG  30          2HH1      ARG  30 -12.363  11.439  -3.044
  205   HH21  ARG  30          1HH2      ARG  30 -10.267  11.437  -0.173
  206   HH22  ARG  30          2HH2      ARG  30 -10.806  12.409  -1.458
  207    H    CYS  31           H        CYS  31  -9.642   3.583   1.144
  208    HA   CYS  31           HA       CYS  31  -6.900   4.215   1.768
  209    HB2  CYS  31           2HB      CYS  31  -8.167   1.584   0.985
  210    HB3  CYS  31           1HB      CYS  31  -6.585   1.801   1.734
  211    H    VAL  32           H        VAL  32  -5.764   5.088   0.205
  212    HA   VAL  32           HA       VAL  32  -6.409   4.396  -2.449
  213    HB   VAL  32           HB       VAL  32  -5.287   6.690  -2.999
  214   HG11  VAL  32          1HG1      VAL  32  -7.539   6.095  -3.416
  215   HG12  VAL  32          2HG1      VAL  32  -7.489   7.754  -2.782
  216   HG13  VAL  32          3HG1      VAL  32  -8.018   6.413  -1.745
  217   HG21  VAL  32          3HG2      VAL  32  -5.410   8.345  -1.278
  218   HG22  VAL  32          1HG2      VAL  32  -4.537   6.967  -0.611
  219   HG23  VAL  32          2HG2      VAL  32  -6.235   7.259  -0.169
  220    HA   PRO  33           HA       PRO  33  -2.267   2.855  -2.900
  221    HB2  PRO  33           2HB      PRO  33  -1.992   3.244  -5.609
  222    HB3  PRO  33           1HB      PRO  33  -2.934   1.905  -4.919
  223    HG2  PRO  33           2HG      PRO  33  -3.901   4.501  -6.000
  224    HG3  PRO  33           1HG      PRO  33  -4.585   2.873  -6.192
  225    HD2  PRO  33           2HD      PRO  33  -5.645   4.624  -4.422
  226    HD3  PRO  33           1HD      PRO  33  -5.563   2.882  -4.103
  227    H    TYR  34           H        TYR  34  -0.385   3.936  -2.383
  228    HA   TYR  34           HA       TYR  34  -0.282   6.725  -2.889
  229    HB2  TYR  34           2HB      TYR  34   0.708   6.376  -0.909
  230    HB3  TYR  34           1HB      TYR  34   1.422   4.821  -1.345
  231    HD1  TYR  34           1HD      TYR  34   2.062   8.666  -1.338
  232    HD2  TYR  34           2HD      TYR  34   3.595   4.780  -2.519
  233    HE1  TYR  34           1HE      TYR  34   4.023   9.531  -1.597
  234    HE2  TYR  34           2HE      TYR  34   5.721   5.852  -2.828
  235    HH   TYR  34           HH       TYR  34   6.501   8.692  -1.586
  236    H    VAL  35           H        VAL  35   0.779   7.849  -4.260
  237    HA   VAL  35           HA       VAL  35   3.061   6.874  -5.586
  238    HB   VAL  35           HB       VAL  35   1.484   8.717  -7.103
  239   HG11  VAL  35          1HG1      VAL  35   2.782   6.219  -7.975
  240   HG12  VAL  35          2HG1      VAL  35   3.370   7.889  -7.979
  241   HG13  VAL  35          3HG1      VAL  35   2.041   7.427  -9.042
  242   HG21  VAL  35          3HG2      VAL  35  -0.271   7.320  -8.083
  243   HG22  VAL  35          1HG2      VAL  35  -0.428   7.443  -6.326
  244   HG23  VAL  35          2HG2      VAL  35   0.228   5.967  -7.050
  245    H    ASP  36           H        ASP  36   4.344   8.809  -5.525
  246    HA   ASP  36           HA       ASP  36   2.756  11.206  -4.687
  247    HB2  ASP  36           2HB      ASP  36   4.357  10.364  -3.068
  248    HB3  ASP  36           1HB      ASP  36   5.714  10.612  -4.213
  249    H    ALA  37           H        ALA  37   4.316  13.004  -5.255
  250    HA   ALA  37           HA       ALA  37   2.706  13.150  -7.443
  251    HB1  ALA  37           1HB      ALA  37   4.562  15.176  -6.329
  252    HB2  ALA  37           2HB      ALA  37   2.998  14.629  -5.742
  253    HB3  ALA  37           3HB      ALA  37   3.076  15.513  -7.310
  254    H    GLU  38           H        GLU  38   5.942  12.566  -6.823
  255    HA   GLU  38           HA       GLU  38   7.191  13.069  -9.154
  256    HB2  GLU  38           2HB      GLU  38   8.911  11.748  -8.184
  257    HB3  GLU  38           1HB      GLU  38   7.951  12.736  -7.016
  258    HG2  GLU  38           2HG      GLU  38   6.884  10.887  -6.122
  259    HG3  GLU  38           1HG      GLU  38   7.510   9.823  -7.380
  260    H    GLN  39           H        GLN  39   4.853  10.765  -8.237
  261    HA   GLN  39           HA       GLN  39   3.725   9.270  -9.135
  262    HB2  GLN  39           2HB      GLN  39   5.452  10.049 -11.245
  263    HB3  GLN  39           1HB      GLN  39   4.313   8.695 -11.621
  264    HG2  GLN  39           2HG      GLN  39   2.496  10.254 -10.966
  265    HG3  GLN  39           1HG      GLN  39   3.720  11.473 -10.613
  266   HE21  GLN  39          1HE2      GLN  39   4.697  12.528 -12.319
  267   HE22  GLN  39          2HE2      GLN  39   4.096  12.452 -13.945
  268    H    LYS  40           H        LYS  40   5.930   8.691  -7.493
  269    HA   LYS  40           HA       LYS  40   6.755   6.111  -8.517
  270    HB2  LYS  40           2HB      LYS  40   8.423   6.056  -7.078
  271    HB3  LYS  40           1HB      LYS  40   8.073   7.838  -7.263
  272    HG2  LYS  40           2HG      LYS  40   7.228   8.021  -5.097
  273    HG3  LYS  40           1HG      LYS  40   7.144   6.265  -4.879
  274    HD2  LYS  40           2HD      LYS  40   9.561   6.093  -4.887
  275    HD3  LYS  40           1HD      LYS  40   9.720   7.795  -5.294
  276    HE2  LYS  40           2HE      LYS  40   8.599   6.701  -2.711
  277    HE3  LYS  40           1HE      LYS  40  10.230   7.326  -2.929
  278    HZ1  LYS  40           3HZ      LYS  40   8.790   9.011  -1.947
  279    HZ2  LYS  40           1HZ      LYS  40   7.693   8.792  -3.168
  280    HZ3  LYS  40           2HZ      LYS  40   9.111   9.529  -3.565
  281    H    ASN  41           H        ASN  41   6.281   4.253  -7.626
  282    HA   ASN  41           HA       ASN  41   4.009   4.287  -5.786
  283    HB2  ASN  41           2HB      ASN  41   3.741   3.571  -8.246
  284    HB3  ASN  41           1HB      ASN  41   4.757   2.224  -7.746
  285   HD21  ASN  41          1HD2      ASN  41   1.635   3.729  -7.134
  286   HD22  ASN  41          2HD2      ASN  41   0.866   2.319  -6.515
  287    H    LEU  42           H        LEU  42   4.011   1.799  -4.905
  288    HA   LEU  42           HA       LEU  42   6.702   1.024  -4.114
  289    HB2  LEU  42           2HB      LEU  42   4.662   1.933  -2.118
  290    HB3  LEU  42           1HB      LEU  42   6.185   1.172  -1.730
  291    HG   LEU  42           HG       LEU  42   5.914   3.856  -3.053
  292   HD11  LEU  42          1HD1      LEU  42   6.256   4.810  -0.911
  293   HD12  LEU  42          2HD1      LEU  42   6.450   3.218  -0.145
  294   HD13  LEU  42          3HD1      LEU  42   4.876   3.715  -0.782
  295   HD21  LEU  42          3HD2      LEU  42   8.234   4.137  -2.334
  296   HD22  LEU  42          1HD2      LEU  42   8.073   2.743  -3.403
  297   HD23  LEU  42          2HD2      LEU  42   8.234   2.505  -1.661
  298    H    PHE  43           H        PHE  43   6.745  -1.050  -3.195
  299    HA   PHE  43           HA       PHE  43   4.337  -2.471  -3.278
  300    HB2  PHE  43           2HB      PHE  43   5.900  -3.401  -4.762
  301    HB3  PHE  43           1HB      PHE  43   7.220  -3.110  -3.636
  302    HD1  PHE  43           2HD      PHE  43   3.974  -4.993  -3.498
  303    HD2  PHE  43           1HD      PHE  43   8.192  -5.067  -2.923
  304    HE1  PHE  43           2HE      PHE  43   3.829  -7.310  -2.690
  305    HE2  PHE  43           1HE      PHE  43   8.045  -7.381  -2.120
  306    HZ   PHE  43           HZ       PHE  43   5.859  -8.500  -2.003
  307    H    LEU  44           H        LEU  44   3.676  -3.497  -1.301
  308    HA   LEU  44           HA       LEU  44   4.777  -2.596   0.970
  309    HB2  LEU  44           2HB      LEU  44   2.601  -4.517   0.364
  310    HB3  LEU  44           1HB      LEU  44   3.147  -4.344   2.016
  311    HG   LEU  44           HG       LEU  44   2.126  -2.048   0.335
  312   HD11  LEU  44          1HD1      LEU  44   0.108  -2.248   1.700
  313   HD12  LEU  44          2HD1      LEU  44   0.800  -3.681   2.468
  314   HD13  LEU  44          3HD1      LEU  44   0.387  -3.714   0.754
  315   HD21  LEU  44          3HD2      LEU  44   3.658  -1.405   2.166
  316   HD22  LEU  44          1HD2      LEU  44   2.655  -2.310   3.296
  317   HD23  LEU  44          2HD2      LEU  44   2.005  -0.889   2.481
  318    H    ARG  45           H        ARG  45   4.880  -4.611   2.774
  319    HA   ARG  45           HA       ARG  45   7.262  -5.999   2.271
  320    HB2  ARG  45           2HB      ARG  45   5.819  -5.352   4.477
  321    HB3  ARG  45           1HB      ARG  45   5.498  -7.081   4.244
  322    HG2  ARG  45           2HG      ARG  45   7.930  -7.555   4.239
  323    HG3  ARG  45           1HG      ARG  45   8.205  -5.879   4.713
  324    HD2  ARG  45           2HD      ARG  45   8.225  -7.316   6.669
  325    HD3  ARG  45           1HD      ARG  45   6.833  -6.234   6.723
  326    HE   ARG  45           HE       ARG  45   6.212  -8.773   5.527
  327   HH11  ARG  45          1HH1      ARG  45   6.585  -7.191   8.674
  328   HH12  ARG  45          2HH1      ARG  45   5.537  -8.250   9.494
  329   HH21  ARG  45          1HH2      ARG  45   4.763 -10.218   6.624
  330   HH22  ARG  45          2HH2      ARG  45   4.454 -10.042   8.271
  331    H    LYS  46           H        LYS  46   7.238  -8.359   2.913
  332    HA   LYS  46           HA       LYS  46   5.549  -9.974   1.133
  333    HB2  LYS  46           2HB      LYS  46   8.013 -10.153   0.899
  334    HB3  LYS  46           1HB      LYS  46   8.156 -10.530   2.599
  335    HG2  LYS  46           2HG      LYS  46   6.986 -12.683   2.183
  336    HG3  LYS  46           1HG      LYS  46   6.937 -12.291   0.458
  337    HD2  LYS  46           2HD      LYS  46   9.364 -12.203   0.364
  338    HD3  LYS  46           1HD      LYS  46   9.473 -12.440   2.101
  339    HE2  LYS  46           2HE      LYS  46  10.028 -14.509   1.002
  340    HE3  LYS  46           1HE      LYS  46   8.473 -14.703   1.799
  341    HZ1  LYS  46           3HZ      LYS  46   8.742 -14.119  -1.121
  342    HZ2  LYS  46           1HZ      LYS  46   7.363 -14.519  -0.302
  343    HZ3  LYS  46           2HZ      LYS  46   8.531 -15.663  -0.488
  344    H    GLY  47           H        GLY  47   4.090 -11.340   2.010
  345    HA2  GLY  47           2HA      GLY  47   2.989 -12.637   3.556
  346    HA3  GLY  47           1HA      GLY  47   4.315 -12.368   4.702
  347    H    LYS  48           H        LYS  48   2.562  -9.910   2.993
  348    HA   LYS  48           HA       LYS  48   1.638  -8.811   5.496
  349    HB2  LYS  48           2HB      LYS  48   2.854  -7.374   3.977
  350    HB3  LYS  48           1HB      LYS  48   1.809  -7.837   2.658
  351    HG2  LYS  48           2HG      LYS  48   0.718  -6.343   5.049
  352    HG3  LYS  48           1HG      LYS  48   1.532  -5.475   3.748
  353    HD2  LYS  48           2HD      LYS  48  -0.083  -6.293   2.141
  354    HD3  LYS  48           1HD      LYS  48  -0.832  -7.310   3.368
  355    HE2  LYS  48           2HE      LYS  48  -1.516  -5.316   4.602
  356    HE3  LYS  48           1HE      LYS  48  -0.782  -4.280   3.383
  357    HZ1  LYS  48           3HZ      LYS  48  -2.952  -6.226   2.939
  358    HZ2  LYS  48           1HZ      LYS  48  -2.258  -5.251   1.740
  359    HZ3  LYS  48           2HZ      LYS  48  -3.158  -4.537   2.989
  360    HA   PRO  49           HA       PRO  49  -2.430 -10.746   5.064
  361    HB2  PRO  49           2HB      PRO  49  -3.236  -8.211   6.433
  362    HB3  PRO  49           1HB      PRO  49  -3.642  -9.888   6.860
  363    HG2  PRO  49           2HG      PRO  49  -1.851  -8.616   8.274
  364    HG3  PRO  49           1HG      PRO  49  -1.589 -10.311   7.812
  365    HD2  PRO  49           2HD      PRO  49  -0.318  -7.855   6.707
  366    HD3  PRO  49           1HD      PRO  49   0.366  -9.472   6.981
  367    H    CYS  50           H        CYS  50  -3.666 -10.693   3.285
  368    HA   CYS  50           HA       CYS  50  -4.216  -8.164   2.084
  369    HB2  CYS  50           2HB      CYS  50  -2.433  -8.889   0.873
  370    HB3  CYS  50           1HB      CYS  50  -2.848 -10.600   1.009
  371    H    THR  51           H        THR  51  -5.768  -9.133  -0.022
  372    HA   THR  51           HA       THR  51  -8.279  -9.357   1.150
  373    HB   THR  51           HB       THR  51  -8.962  -9.833  -1.274
  374    HG1  THR  51           1HG      THR  51  -7.430  -9.909  -2.782
  375   HG21  THR  51          3HG2      THR  51  -6.994  -7.594  -0.949
  376   HG22  THR  51          1HG2      THR  51  -8.655  -7.502  -0.324
  377   HG23  THR  51          2HG2      THR  51  -8.350  -7.660  -2.064
  378    H    VAL  52           H        VAL  52  -6.593 -11.546  -0.866
  379    HA   VAL  52           HA       VAL  52  -8.354 -13.712  -0.095
  380    HB   VAL  52           HB       VAL  52  -7.475 -14.919  -2.055
  381   HG11  VAL  52          1HG1      VAL  52  -8.439 -12.080  -2.475
  382   HG12  VAL  52          2HG1      VAL  52  -9.428 -13.536  -2.336
  383   HG13  VAL  52          3HG1      VAL  52  -8.400 -13.301  -3.751
  384   HG21  VAL  52          3HG2      VAL  52  -5.175 -13.815  -2.024
  385   HG22  VAL  52          1HG2      VAL  52  -5.915 -12.384  -2.729
  386   HG23  VAL  52          2HG2      VAL  52  -5.919 -13.899  -3.616
  387    H    GLY  53           H        GLY  53  -5.122 -12.753   0.468
  388    HA2  GLY  53           2HA      GLY  53  -4.751 -14.799   2.326
  389    HA3  GLY  53           1HA      GLY  53  -3.850 -15.100   0.831
  390    H    PHE  54           H        PHE  54  -1.888 -14.375   0.808
  391    HA   PHE  54           HA       PHE  54  -1.248 -11.944   2.349
  392    HB2  PHE  54           2HB      PHE  54   0.380 -14.461   2.163
  393    HB3  PHE  54           1HB      PHE  54   1.019 -12.940   2.796
  394    HD1  PHE  54           1HD      PHE  54   0.042 -12.003   4.889
  395    HD2  PHE  54           2HD      PHE  54  -0.948 -15.894   3.483
  396    HE1  PHE  54           1HE      PHE  54  -0.806 -12.587   7.121
  397    HE2  PHE  54           2HE      PHE  54  -1.801 -16.486   5.713
  398    HZ   PHE  54           HZ       PHE  54  -1.731 -14.833   7.536
  399    H    CYS  55           H        CYS  55   0.462 -10.754   1.583
  400    HA   CYS  55           HA       CYS  55   0.687 -10.807  -1.314
  401    HB2  CYS  55           2HB      CYS  55   1.626  -8.897   0.768
  402    HB3  CYS  55           1HB      CYS  55   1.955  -8.693  -0.948
  403    H    ASP  56           H        ASP  56   2.379 -11.571  -2.375
  404    HA   ASP  56           HA       ASP  56   4.809 -11.832  -0.779
  405    HB2  ASP  56           2HB      ASP  56   3.691 -13.983  -1.789
  406    HB3  ASP  56           1HB      ASP  56   4.461 -13.455  -3.289
  407    H    MET  57           H        MET  57   6.773 -12.116  -2.715
  408    HA   MET  57           HA       MET  57   7.544  -9.575  -3.027
  409    HB2  MET  57           2HB      MET  57   8.812 -11.661  -2.789
  410    HB3  MET  57           1HB      MET  57   8.436 -12.039  -4.462
  411    HG2  MET  57           2HG      MET  57   9.497 -10.023  -5.143
  412    HG3  MET  57           1HG      MET  57   9.833  -9.703  -3.421
  413    HE1  MET  57           3HE      MET  57  12.491  -9.402  -4.124
  414    HE2  MET  57           1HE      MET  57  12.121  -9.819  -5.797
  415    HE3  MET  57           2HE      MET  57  13.414 -10.661  -4.944
  416    H    ASN  58           H        ASN  58   5.531 -11.360  -5.233
  417    HA   ASN  58           HA       ASN  58   6.349  -9.711  -7.510
  418    HB2  ASN  58           2HB      ASN  58   5.838 -12.176  -7.767
  419    HB3  ASN  58           1HB      ASN  58   4.155 -11.808  -7.432
  420   HD21  ASN  58          1HD2      ASN  58   6.752 -11.502  -9.731
  421   HD22  ASN  58          2HD2      ASN  58   5.764 -11.068 -11.080
  422    H    GLY  59           H        GLY  59   4.392  -9.240  -4.929
  423    HA2  GLY  59           2HA      GLY  59   2.861  -7.520  -4.501
  424    HA3  GLY  59           1HA      GLY  59   2.885  -7.129  -6.224
  425    H    LYS  60           H        LYS  60   2.482 -10.342  -5.314
  426    HA   LYS  60           HA       LYS  60  -0.360 -10.261  -6.050
  427    HB2  LYS  60           2HB      LYS  60   1.831 -12.175  -6.690
  428    HB3  LYS  60           1HB      LYS  60   0.235 -12.841  -6.396
  429    HG2  LYS  60           2HG      LYS  60   0.782 -12.371  -8.819
  430    HG3  LYS  60           1HG      LYS  60  -0.711 -11.643  -8.225
  431    HD2  LYS  60           2HD      LYS  60   0.524  -9.531  -7.855
  432    HD3  LYS  60           1HD      LYS  60   1.954 -10.284  -8.546
  433    HE2  LYS  60           2HE      LYS  60   0.933 -10.441 -10.672
  434    HE3  LYS  60           1HE      LYS  60  -0.650 -10.012 -10.010
  435    HZ1  LYS  60           3HZ      LYS  60   0.048  -7.910  -9.499
  436    HZ2  LYS  60           1HZ      LYS  60   0.499  -8.118 -11.107
  437    HZ3  LYS  60           2HZ      LYS  60   1.674  -8.194  -9.848
  438    H    CYS  61           H        CYS  61  -1.602 -11.974  -5.165
  439    HA   CYS  61           HA       CYS  61  -1.035 -12.018  -2.324
  440    HB2  CYS  61           2HB      CYS  61  -2.631 -10.334  -3.196
  441    HB3  CYS  61           1HB      CYS  61  -3.595 -11.724  -3.730
  442    H    GLU  62           H        GLU  62  -0.905 -13.902  -1.784
  443    HA   GLU  62           HA       GLU  62  -2.089 -16.078  -3.282
  444    HB2  GLU  62           2HB      GLU  62   0.242 -16.273  -1.363
  445    HB3  GLU  62           1HB      GLU  62  -0.252 -17.448  -2.564
  446    HG2  GLU  62           2HG      GLU  62   1.015 -14.757  -3.124
  447    HG3  GLU  62           1HG      GLU  62   1.832 -16.308  -3.183
  Start of MODEL    6
    1    H    PHE   1           1HT      PHE   1   4.186   4.318   8.150
    2    HA   PHE   1           HA       PHE   1   5.008   4.387   6.195
    3    HB2  PHE   1           2HB      PHE   1   4.382   2.769   4.301
    4    HB3  PHE   1           1HB      PHE   1   5.522   2.187   5.500
    5    HD1  PHE   1           2HD      PHE   1   4.190   0.805   7.463
    6    HD2  PHE   1           1HD      PHE   1   2.960   1.435   3.470
    7    HE1  PHE   1           2HE      PHE   1   2.853  -1.259   7.580
    8    HE2  PHE   1           1HE      PHE   1   1.616  -0.650   3.545
    9    HZ   PHE   1           HZ       PHE   1   1.565  -1.996   5.611
   10    H    CYS   2           H        CYS   2   4.037   4.525   3.964
   11    HA   CYS   2           HA       CYS   2   3.159   6.233   2.859
   12    HB2  CYS   2           2HB      CYS   2   1.060   5.058   3.531
   13    HB3  CYS   2           1HB      CYS   2   1.035   6.215   4.880
   14    H    GLU   3           H        GLU   3   4.194   6.642   5.942
   15    HA   GLU   3           HA       GLU   3   3.235   9.104   6.816
   16    HB2  GLU   3           2HB      GLU   3   5.239   9.289   8.293
   17    HB3  GLU   3           1HB      GLU   3   4.261   7.840   8.551
   18    HG2  GLU   3           2HG      GLU   3   6.968   8.058   7.170
   19    HG3  GLU   3           1HG      GLU   3   6.668   7.470   8.793
   20    H    ARG   4           H        ARG   4   6.622   8.853   5.735
   21    HA   ARG   4           HA       ARG   4   6.391  11.583   5.143
   22    HB2  ARG   4           2HB      ARG   4   8.756  11.686   4.813
   23    HB3  ARG   4           1HB      ARG   4   8.450  10.507   6.068
   24    HG2  ARG   4           2HG      ARG   4  10.141   9.476   4.886
   25    HG3  ARG   4           1HG      ARG   4   8.718   8.761   4.137
   26    HD2  ARG   4           2HD      ARG   4   9.595  11.245   2.826
   27    HD3  ARG   4           1HD      ARG   4  10.818   9.982   2.797
   28    HE   ARG   4           HE       ARG   4   8.743   8.612   1.946
   29   HH11  ARG   4          1HH1      ARG   4   9.590  11.907   0.933
   30   HH12  ARG   4          2HH1      ARG   4   8.955  11.693  -0.648
   31   HH21  ARG   4          1HH2      ARG   4   7.948   8.366  -0.090
   32   HH22  ARG   4          2HH2      ARG   4   7.930   9.597  -1.279
   33    H    GLU   5           H        GLU   5   5.637   8.861   3.677
   34    HA   GLU   5           HA       GLU   5   6.307   9.140   0.980
   35    HB2  GLU   5           2HB      GLU   5   3.932   7.754   2.169
   36    HB3  GLU   5           1HB      GLU   5   4.682   7.367   0.634
   37    HG2  GLU   5           2HG      GLU   5   5.936   6.849   3.400
   38    HG3  GLU   5           1HG      GLU   5   5.258   5.658   2.383
   39    H    GLN   6           H        GLN   6   3.089   9.835   2.644
   40    HA   GLN   6           HA       GLN   6   2.795  12.208   1.068
   41    HB2  GLN   6           2HB      GLN   6   0.263  11.267   0.773
   42    HB3  GLN   6           1HB      GLN   6   1.457  11.298  -0.545
   43    HG2  GLN   6           2HG      GLN   6   1.964   8.968   0.064
   44    HG3  GLN   6           1HG      GLN   6   0.725   9.058   1.305
   45   HE21  GLN   6          1HE2      GLN   6   1.255   9.112  -2.179
   46   HE22  GLN   6          2HE2      GLN   6  -0.382   8.751  -2.586
   47    H    GLN   7           H        GLN   7   3.035  11.207   3.803
   48    HA   GLN   7           HA       GLN   7   2.530  11.707   5.726
   49    HB2  GLN   7           2HB      GLN   7   0.981  13.983   4.534
   50    HB3  GLN   7           1HB      GLN   7   1.336  13.846   6.254
   51    HG2  GLN   7           2HG      GLN   7   3.697  13.872   5.818
   52    HG3  GLN   7           1HG      GLN   7   3.395  13.870   4.084
   53   HE21  GLN   7          1HE2      GLN   7   1.479  15.733   6.319
   54   HE22  GLN   7          2HE2      GLN   7   2.067  17.289   5.821
   55    H    LEU   8           H        LEU   8   0.803   9.831   4.501
   56    HA   LEU   8           HA       LEU   8  -1.474   9.939   6.388
   57    HB2  LEU   8           2HB      LEU   8  -1.155   8.247   3.904
   58    HB3  LEU   8           1HB      LEU   8  -2.463   8.117   5.041
   59    HG   LEU   8           HG       LEU   8  -3.421   9.181   3.346
   60   HD11  LEU   8          1HD1      LEU   8  -2.460  11.456   4.999
   61   HD12  LEU   8          2HD1      LEU   8  -3.700  10.269   5.364
   62   HD13  LEU   8          3HD1      LEU   8  -3.949  11.394   4.002
   63   HD21  LEU   8          3HD2      LEU   8  -2.422  10.957   1.943
   64   HD22  LEU   8          1HD2      LEU   8  -1.560   9.431   1.931
   65   HD23  LEU   8          2HD2      LEU   8  -0.895  10.790   2.822
   66    H    GLU   9           H        GLU   9  -2.029   7.606   6.816
   67    HA   GLU   9           HA       GLU   9   0.432   6.047   7.106
   68    HB2  GLU   9           2HB      GLU   9  -0.519   6.513   9.371
   69    HB3  GLU   9           1HB      GLU   9  -2.056   5.831   8.849
   70    HG2  GLU   9           2HG      GLU   9  -0.685   4.337  10.344
   71    HG3  GLU   9           1HG      GLU   9  -1.167   3.619   8.815
   72    H    SER  10           H        SER  10   0.047   3.740   6.805
   73    HA   SER  10           HA       SER  10  -0.933   3.474   4.302
   74    HB2  SER  10           2HB      SER  10  -0.168   1.183   4.598
   75    HB3  SER  10           1HB      SER  10   0.880   2.467   5.257
   76    HG   SER  10           HG       SER  10   0.355   1.965   7.294
   77    H    CYS  11           H        CYS  11  -2.575   1.854   3.607
   78    HA   CYS  11           HA       CYS  11  -4.463   0.810   5.517
   79    HB2  CYS  11           2HB      CYS  11  -6.447   1.620   4.251
   80    HB3  CYS  11           1HB      CYS  11  -5.551   3.021   4.786
   81    H    ALA  12           H        ALA  12  -6.025  -0.703   4.068
   82    HA   ALA  12           HA       ALA  12  -4.309  -1.832   1.998
   83    HB1  ALA  12           1HB      ALA  12  -5.171  -4.052   2.603
   84    HB2  ALA  12           2HB      ALA  12  -6.132  -3.329   3.893
   85    HB3  ALA  12           3HB      ALA  12  -4.372  -3.287   3.979
   86    H    CYS  13           H        CYS  13  -5.169  -1.613   0.097
   87    HA   CYS  13           HA       CYS  13  -7.818  -0.791  -0.425
   88    HB2  CYS  13           2HB      CYS  13  -5.701  -1.968  -2.237
   89    HB3  CYS  13           1HB      CYS  13  -7.174  -1.201  -2.770
   90    H    ASN  14           H        ASN  14  -9.592  -1.754  -1.049
   91    HA   ASN  14           HA       ASN  14 -10.161  -4.348  -0.146
   92    HB2  ASN  14           2HB      ASN  14 -11.822  -2.501  -0.414
   93    HB3  ASN  14           1HB      ASN  14 -11.693  -2.709  -2.158
   94   HD21  ASN  14          1HD2      ASN  14 -12.768  -4.471  -3.142
   95   HD22  ASN  14          2HD2      ASN  14 -13.869  -5.459  -2.246
   96    H    GLU  15           H        GLU  15  -8.959  -3.227  -3.140
   97    HA   GLU  15           HA       GLU  15  -9.785  -5.449  -4.571
   98    HB2  GLU  15           2HB      GLU  15  -9.545  -3.146  -5.565
   99    HB3  GLU  15           1HB      GLU  15  -7.809  -3.319  -5.371
  100    HG2  GLU  15           2HG      GLU  15  -9.407  -5.156  -7.124
  101    HG3  GLU  15           1HG      GLU  15  -8.713  -3.641  -7.698
  102    H    THR  16           H        THR  16  -8.254  -7.180  -5.328
  103    HA   THR  16           HA       THR  16  -6.531  -8.101  -3.372
  104    HB   THR  16           HB       THR  16  -6.811  -8.938  -6.248
  105    HG1  THR  16           1HG      THR  16  -8.089  -9.478  -3.837
  106   HG21  THR  16          3HG2      THR  16  -4.626  -9.592  -5.232
  107   HG22  THR  16          1HG2      THR  16  -5.643 -10.993  -5.621
  108   HG23  THR  16          2HG2      THR  16  -5.510 -10.465  -3.954
  109    H    ASP  17           H        ASP  17  -5.638  -6.732  -6.573
  110    HA   ASP  17           HA       ASP  17  -2.922  -7.242  -6.089
  111    HB2  ASP  17           2HB      ASP  17  -3.797  -6.860  -8.380
  112    HB3  ASP  17           1HB      ASP  17  -4.139  -5.194  -7.871
  113    H    ASN  18           H        ASN  18  -5.080  -4.477  -5.742
  114    HA   ASN  18           HA       ASN  18  -3.081  -2.706  -5.017
  115    HB2  ASN  18           2HB      ASN  18  -6.062  -2.554  -4.895
  116    HB3  ASN  18           1HB      ASN  18  -5.076  -1.304  -4.153
  117   HD21  ASN  18          1HD2      ASN  18  -5.840  -2.881  -7.218
  118   HD22  ASN  18          2HD2      ASN  18  -5.319  -1.568  -8.204
  119    H    SER  19           H        SER  19  -4.718  -5.000  -3.304
  120    HA   SER  19           HA       SER  19  -4.088  -3.815  -0.730
  121    HB2  SER  19           2HB      SER  19  -4.855  -5.896   0.336
  122    HB3  SER  19           1HB      SER  19  -6.016  -5.305  -0.851
  123    HG   SER  19           HG       SER  19  -4.577  -6.917  -2.239
  124    H    CYS  20           H        CYS  20  -2.246  -5.248  -3.009
  125    HA   CYS  20           HA       CYS  20  -0.385  -6.325  -1.042
  126    HB2  CYS  20           2HB      CYS  20  -1.269  -7.670  -3.091
  127    HB3  CYS  20           1HB      CYS  20  -0.171  -6.651  -4.017
  128    H    LYS  21           H        LYS  21  -1.022  -3.413  -2.261
  129    HA   LYS  21           HA       LYS  21   1.754  -2.574  -1.950
  130    HB2  LYS  21           2HB      LYS  21   1.866  -1.840  -4.167
  131    HB3  LYS  21           1HB      LYS  21   0.321  -2.695  -4.278
  132    HG2  LYS  21           2HG      LYS  21   0.043   0.007  -3.236
  133    HG3  LYS  21           1HG      LYS  21   0.672  -0.052  -4.876
  134    HD2  LYS  21           2HD      LYS  21  -1.805  -1.503  -3.978
  135    HD3  LYS  21           1HD      LYS  21  -1.832   0.124  -4.640
  136    HE2  LYS  21           2HE      LYS  21  -2.363  -1.375  -6.450
  137    HE3  LYS  21           1HE      LYS  21  -0.742  -0.773  -6.719
  138    HZ1  LYS  21           3HZ      LYS  21  -1.125  -3.209  -7.120
  139    HZ2  LYS  21           1HZ      LYS  21  -1.319  -3.434  -5.502
  140    HZ3  LYS  21           2HZ      LYS  21   0.175  -2.911  -6.107
  141    H    VAL  22           H        VAL  22   1.986  -0.521  -1.660
  142    HA   VAL  22           HA       VAL  22   0.729  -0.172   0.810
  143    HB   VAL  22           HB       VAL  22   2.608   1.535  -0.741
  144   HG11  VAL  22          1HG1      VAL  22   1.472   2.910   0.750
  145   HG12  VAL  22          2HG1      VAL  22   3.032   2.569   1.588
  146   HG13  VAL  22          3HG1      VAL  22   1.536   1.737   2.053
  147   HG21  VAL  22          3HG2      VAL  22   3.122  -0.303   1.610
  148   HG22  VAL  22          1HG2      VAL  22   4.334   0.493   0.627
  149   HG23  VAL  22          2HG2      VAL  22   3.331  -0.855  -0.028
  150    H    CYS  23           H        CYS  23  -1.135   0.345   0.755
  151    HA   CYS  23           HA       CYS  23  -2.046   2.689  -0.754
  152    HB2  CYS  23           2HB      CYS  23  -3.722   0.921   1.056
  153    HB3  CYS  23           1HB      CYS  23  -4.234   2.184  -0.085
  154    H    CYS  24           H        CYS  24  -3.356   4.264   0.424
  155    HA   CYS  24           HA       CYS  24  -2.167   5.008   2.997
  156    HB2  CYS  24           2HB      CYS  24  -2.386   6.652   0.498
  157    HB3  CYS  24           1HB      CYS  24  -2.118   7.378   2.075
  158    H    ARG  25           H        ARG  25  -3.518   6.484   4.231
  159    HA   ARG  25           HA       ARG  25  -6.257   5.909   3.436
  160    HB2  ARG  25           2HB      ARG  25  -5.244   4.783   5.486
  161    HB3  ARG  25           1HB      ARG  25  -5.253   6.372   6.208
  162    HG2  ARG  25           2HG      ARG  25  -7.723   5.439   5.006
  163    HG3  ARG  25           1HG      ARG  25  -7.251   4.643   6.525
  164    HD2  ARG  25           2HD      ARG  25  -7.057   7.039   7.467
  165    HD3  ARG  25           1HD      ARG  25  -7.790   7.599   5.969
  166    HE   ARG  25           HE       ARG  25  -9.330   5.613   7.325
  167   HH11  ARG  25          1HH1      ARG  25  -8.797   9.060   6.902
  168   HH12  ARG  25          2HH1      ARG  25 -10.157   9.604   7.756
  169   HH21  ARG  25          1HH2      ARG  25 -11.299   6.287   8.523
  170   HH22  ARG  25          2HH2      ARG  25 -11.638   7.941   8.720
  171    H    ASP  26           H        ASP  26  -7.303   7.580   2.789
  172    HA   ASP  26           HA       ASP  26  -6.166  10.118   3.108
  173    HB2  ASP  26           2HB      ASP  26  -7.027  10.401   1.104
  174    HB3  ASP  26           1HB      ASP  26  -7.759   8.803   1.126
  175    H    LEU  27           H        LEU  27  -7.479  11.736   3.531
  176    HA   LEU  27           HA       LEU  27  -8.254  11.814   6.151
  177    HB2  LEU  27           2HB      LEU  27  -9.075  13.923   4.186
  178    HB3  LEU  27           1HB      LEU  27  -8.792  14.130   5.904
  179    HG   LEU  27           HG       LEU  27  -6.360  13.293   5.129
  180   HD11  LEU  27          1HD1      LEU  27  -5.711  14.315   3.028
  181   HD12  LEU  27          2HD1      LEU  27  -7.376  14.813   2.750
  182   HD13  LEU  27          3HD1      LEU  27  -6.973  13.105   2.767
  183   HD21  LEU  27          3HD2      LEU  27  -6.816  15.310   6.426
  184   HD22  LEU  27          1HD2      LEU  27  -7.374  16.134   4.970
  185   HD23  LEU  27          2HD2      LEU  27  -5.683  15.661   5.122
  186    H    SER  28           H        SER  28 -10.184  11.488   3.261
  187    HA   SER  28           HA       SER  28 -12.628  12.037   4.572
  188    HB2  SER  28           2HB      SER  28 -12.324  12.756   2.251
  189    HB3  SER  28           1HB      SER  28 -12.021  11.095   1.755
  190    HG   SER  28           HG       SER  28 -14.267  10.892   2.876
  191    H    GLY  29           H        GLY  29 -10.530   9.544   4.452
  192    HA2  GLY  29           2HA      GLY  29 -10.725   7.758   5.551
  193    HA3  GLY  29           1HA      GLY  29 -12.501   7.718   5.425
  194    H    ARG  30           H        ARG  30 -10.788   8.266   2.517
  195    HA   ARG  30           HA       ARG  30 -11.598   5.686   1.541
  196    HB2  ARG  30           2HB      ARG  30 -10.293   8.053   0.206
  197    HB3  ARG  30           1HB      ARG  30 -10.923   6.630  -0.618
  198    HG2  ARG  30           2HG      ARG  30 -13.143   7.180  -0.125
  199    HG3  ARG  30           1HG      ARG  30 -12.668   8.324   1.131
  200    HD2  ARG  30           2HD      ARG  30 -12.112   8.652  -1.805
  201    HD3  ARG  30           1HD      ARG  30 -13.444   9.422  -0.926
  202    HE   ARG  30           HE       ARG  30 -10.987   9.961   0.341
  203   HH11  ARG  30          1HH1      ARG  30 -12.834  10.931  -2.507
  204   HH12  ARG  30          2HH1      ARG  30 -12.134  12.484  -2.627
  205   HH21  ARG  30          1HH2      ARG  30 -10.025  12.049   0.212
  206   HH22  ARG  30          2HH2      ARG  30 -10.451  13.157  -1.005
  207    H    CYS  31           H        CYS  31 -10.139   4.249   0.596
  208    HA   CYS  31           HA       CYS  31  -7.412   4.466   1.606
  209    HB2  CYS  31           2HB      CYS  31  -8.809   2.455   2.219
  210    HB3  CYS  31           1HB      CYS  31  -8.905   2.063   0.509
  211    H    VAL  32           H        VAL  32  -5.908   5.037   0.107
  212    HA   VAL  32           HA       VAL  32  -6.681   4.739  -2.602
  213    HB   VAL  32           HB       VAL  32  -5.883   6.876  -3.190
  214   HG11  VAL  32          1HG1      VAL  32  -7.069   7.388  -0.457
  215   HG12  VAL  32          2HG1      VAL  32  -7.945   7.100  -1.956
  216   HG13  VAL  32          3HG1      VAL  32  -6.934   8.532  -1.793
  217   HG21  VAL  32          3HG2      VAL  32  -3.740   6.826  -2.255
  218   HG22  VAL  32          1HG2      VAL  32  -4.345   6.966  -0.594
  219   HG23  VAL  32          2HG2      VAL  32  -4.497   8.335  -1.710
  220    HA   PRO  33           HA       PRO  33  -2.553   2.863  -2.655
  221    HB2  PRO  33           2HB      PRO  33  -1.826   3.049  -5.252
  222    HB3  PRO  33           1HB      PRO  33  -3.189   2.033  -4.739
  223    HG2  PRO  33           2HG      PRO  33  -3.237   4.566  -6.203
  224    HG3  PRO  33           1HG      PRO  33  -4.464   3.294  -6.104
  225    HD2  PRO  33           2HD      PRO  33  -4.368   5.781  -4.595
  226    HD3  PRO  33           1HD      PRO  33  -5.617   4.511  -4.562
  227    H    TYR  34           H        TYR  34  -0.343   3.534  -2.073
  228    HA   TYR  34           HA       TYR  34   0.106   6.280  -2.543
  229    HB2  TYR  34           2HB      TYR  34   0.915   5.923  -0.584
  230    HB3  TYR  34           1HB      TYR  34   1.427   4.247  -0.881
  231    HD1  TYR  34           1HD      TYR  34   2.439   7.871  -1.921
  232    HD2  TYR  34           2HD      TYR  34   3.741   3.895  -0.844
  233    HE1  TYR  34           1HE      TYR  34   4.622   8.519  -2.094
  234    HE2  TYR  34           2HE      TYR  34   6.012   4.689  -1.031
  235    HH   TYR  34           HH       TYR  34   6.686   8.085  -1.874
  236    H    VAL  35           H        VAL  35   0.929   7.263  -4.033
  237    HA   VAL  35           HA       VAL  35   3.440   6.499  -5.103
  238    HB   VAL  35           HB       VAL  35   1.903   8.091  -6.858
  239   HG11  VAL  35          1HG1      VAL  35   3.412   5.598  -7.376
  240   HG12  VAL  35          2HG1      VAL  35   3.962   7.276  -7.367
  241   HG13  VAL  35          3HG1      VAL  35   2.825   6.735  -8.611
  242   HG21  VAL  35          3HG2      VAL  35   0.004   6.694  -6.185
  243   HG22  VAL  35          1HG2      VAL  35   0.851   5.254  -6.724
  244   HG23  VAL  35          2HG2      VAL  35   0.362   6.480  -7.911
  245    H    ASP  36           H        ASP  36   4.583   8.464  -4.898
  246    HA   ASP  36           HA       ASP  36   3.020  10.905  -4.296
  247    HB2  ASP  36           2HB      ASP  36   5.111  11.659  -3.332
  248    HB3  ASP  36           1HB      ASP  36   4.506  10.181  -2.569
  249    H    ALA  37           H        ALA  37   4.635  12.552  -4.724
  250    HA   ALA  37           HA       ALA  37   3.314  12.892  -7.023
  251    HB1  ALA  37           1HB      ALA  37   3.590  14.321  -5.301
  252    HB2  ALA  37           2HB      ALA  37   4.048  15.176  -6.825
  253    HB3  ALA  37           3HB      ALA  37   5.294  14.596  -5.650
  254    H    GLU  38           H        GLU  38   6.453  11.870  -6.156
  255    HA   GLU  38           HA       GLU  38   7.837  12.501  -8.402
  256    HB2  GLU  38           2HB      GLU  38   8.198  10.742  -6.083
  257    HB3  GLU  38           1HB      GLU  38   9.551  11.121  -7.185
  258    HG2  GLU  38           2HG      GLU  38   8.070  12.861  -5.195
  259    HG3  GLU  38           1HG      GLU  38   9.781  12.453  -5.200
  260    H    GLN  39           H        GLN  39   5.281  10.208  -7.711
  261    HA   GLN  39           HA       GLN  39   4.466   8.566  -8.568
  262    HB2  GLN  39           2HB      GLN  39   6.572   9.212 -10.397
  263    HB3  GLN  39           1HB      GLN  39   5.544   7.791 -10.820
  264    HG2  GLN  39           2HG      GLN  39   3.618   9.339 -10.775
  265    HG3  GLN  39           1HG      GLN  39   4.696  10.646 -10.289
  266   HE21  GLN  39          1HE2      GLN  39   6.040  11.550 -11.808
  267   HE22  GLN  39          2HE2      GLN  39   5.826  11.302 -13.515
  268    H    LYS  40           H        LYS  40   6.596   8.459  -6.590
  269    HA   LYS  40           HA       LYS  40   7.646   5.848  -7.061
  270    HB2  LYS  40           2HB      LYS  40   9.181   6.430  -5.997
  271    HB3  LYS  40           1HB      LYS  40   8.490   8.081  -5.620
  272    HG2  LYS  40           2HG      LYS  40   9.287   7.290  -3.535
  273    HG3  LYS  40           1HG      LYS  40   7.651   6.652  -3.527
  274    HD2  LYS  40           2HD      LYS  40   8.447   4.466  -4.145
  275    HD3  LYS  40           1HD      LYS  40  10.081   5.084  -4.407
  276    HE2  LYS  40           2HE      LYS  40   9.935   3.946  -2.241
  277    HE3  LYS  40           1HE      LYS  40  10.252   5.663  -2.021
  278    HZ1  LYS  40           3HZ      LYS  40   7.812   5.931  -1.625
  279    HZ2  LYS  40           1HZ      LYS  40   8.500   4.992  -0.435
  280    HZ3  LYS  40           2HZ      LYS  40   7.647   4.285  -1.666
  281    H    ASN  41           H        ASN  41   7.128   4.241  -6.271
  282    HA   ASN  41           HA       ASN  41   4.530   4.082  -4.851
  283    HB2  ASN  41           2HB      ASN  41   4.751   3.586  -7.350
  284    HB3  ASN  41           1HB      ASN  41   5.655   2.189  -6.800
  285   HD21  ASN  41          1HD2      ASN  41   2.464   3.625  -6.832
  286   HD22  ASN  41          2HD2      ASN  41   1.587   2.190  -6.453
  287    H    LEU  42           H        LEU  42   4.303   1.603  -4.223
  288    HA   LEU  42           HA       LEU  42   6.663   0.271  -3.257
  289    HB2  LEU  42           2HB      LEU  42   4.646   1.399  -1.366
  290    HB3  LEU  42           1HB      LEU  42   5.791   0.155  -0.949
  291    HG   LEU  42           HG       LEU  42   6.461   2.971  -1.703
  292   HD11  LEU  42          1HD1      LEU  42   6.505   1.629   1.016
  293   HD12  LEU  42          2HD1      LEU  42   5.151   2.553   0.420
  294   HD13  LEU  42          3HD1      LEU  42   6.711   3.361   0.650
  295   HD21  LEU  42          3HD2      LEU  42   8.682   2.400  -0.795
  296   HD22  LEU  42          1HD2      LEU  42   8.273   1.392  -2.183
  297   HD23  LEU  42          2HD2      LEU  42   8.147   0.737  -0.549
  298    H    PHE  43           H        PHE  43   6.060  -1.819  -3.772
  299    HA   PHE  43           HA       PHE  43   3.433  -2.595  -3.316
  300    HB2  PHE  43           2HB      PHE  43   5.941  -3.906  -4.210
  301    HB3  PHE  43           1HB      PHE  43   4.481  -4.885  -3.951
  302    HD1  PHE  43           1HD      PHE  43   2.441  -4.266  -5.353
  303    HD2  PHE  43           2HD      PHE  43   6.343  -2.797  -6.194
  304    HE1  PHE  43           1HE      PHE  43   1.733  -3.717  -7.642
  305    HE2  PHE  43           2HE      PHE  43   5.644  -2.243  -8.487
  306    HZ   PHE  43           HZ       PHE  43   3.336  -2.704  -9.214
  307    H    LEU  44           H        LEU  44   2.960  -4.174  -1.502
  308    HA   LEU  44           HA       LEU  44   4.266  -3.480   0.681
  309    HB2  LEU  44           2HB      LEU  44   2.440  -5.820   0.208
  310    HB3  LEU  44           1HB      LEU  44   3.075  -5.465   1.793
  311    HG   LEU  44           HG       LEU  44   1.281  -3.655   0.172
  312   HD11  LEU  44          1HD1      LEU  44   0.148  -5.648   1.015
  313   HD12  LEU  44          2HD1      LEU  44  -0.380  -4.204   1.877
  314   HD13  LEU  44          3HD1      LEU  44   0.759  -5.317   2.636
  315   HD21  LEU  44          3HD2      LEU  44   2.791  -2.390   1.605
  316   HD22  LEU  44          1HD2      LEU  44   2.339  -3.396   2.982
  317   HD23  LEU  44          2HD2      LEU  44   1.141  -2.348   2.226
  318    H    ARG  45           H        ARG  45   5.300  -5.399   2.225
  319    HA   ARG  45           HA       ARG  45   7.213  -6.666   0.587
  320    HB2  ARG  45           2HB      ARG  45   6.848  -6.190   3.419
  321    HB3  ARG  45           1HB      ARG  45   8.190  -7.264   2.894
  322    HG2  ARG  45           2HG      ARG  45   7.744  -4.283   2.437
  323    HG3  ARG  45           1HG      ARG  45   9.066  -5.034   3.321
  324    HD2  ARG  45           2HD      ARG  45   9.989  -4.316   1.246
  325    HD3  ARG  45           1HD      ARG  45   9.788  -6.058   1.099
  326    HE   ARG  45           HE       ARG  45   7.500  -4.737   0.085
  327   HH11  ARG  45          1HH1      ARG  45  10.860  -5.360  -0.829
  328   HH12  ARG  45          2HH1      ARG  45  10.585  -5.237  -2.497
  329   HH21  ARG  45          1HH2      ARG  45   7.103  -4.549  -2.132
  330   HH22  ARG  45          2HH2      ARG  45   8.325  -4.751  -3.299
  331    H    LYS  46           H        LYS  46   7.853  -8.899   1.133
  332    HA   LYS  46           HA       LYS  46   5.724 -10.596   0.400
  333    HB2  LYS  46           2HB      LYS  46   8.339 -10.676  -0.033
  334    HB3  LYS  46           1HB      LYS  46   8.346 -11.597   1.445
  335    HG2  LYS  46           2HG      LYS  46   6.793 -12.370  -1.027
  336    HG3  LYS  46           1HG      LYS  46   8.392 -12.969  -0.622
  337    HD2  LYS  46           2HD      LYS  46   7.455 -13.952   1.446
  338    HD3  LYS  46           1HD      LYS  46   5.857 -13.385   0.961
  339    HE2  LYS  46           2HE      LYS  46   7.589 -15.319  -0.587
  340    HE3  LYS  46           1HE      LYS  46   6.194 -15.754   0.394
  341    HZ1  LYS  46           3HZ      LYS  46   4.811 -14.440  -1.050
  342    HZ2  LYS  46           1HZ      LYS  46   5.548 -15.665  -1.880
  343    HZ3  LYS  46           2HZ      LYS  46   6.100 -14.078  -2.102
  344    H    GLY  47           H        GLY  47   4.276 -11.512   1.582
  345    HA2  GLY  47           2HA      GLY  47   3.542 -13.049   3.157
  346    HA3  GLY  47           1HA      GLY  47   5.023 -12.801   4.097
  347    H    LYS  48           H        LYS  48   3.289 -10.062   2.935
  348    HA   LYS  48           HA       LYS  48   2.338  -9.621   5.647
  349    HB2  LYS  48           2HB      LYS  48   3.066  -7.971   3.395
  350    HB3  LYS  48           1HB      LYS  48   1.603  -7.379   4.188
  351    HG2  LYS  48           2HG      LYS  48   3.201  -6.176   5.361
  352    HG3  LYS  48           1HG      LYS  48   3.115  -7.606   6.366
  353    HD2  LYS  48           2HD      LYS  48   5.201  -7.079   4.238
  354    HD3  LYS  48           1HD      LYS  48   5.436  -6.785   5.952
  355    HE2  LYS  48           2HE      LYS  48   5.003  -9.451   4.597
  356    HE3  LYS  48           1HE      LYS  48   6.521  -8.845   5.242
  357    HZ1  LYS  48           3HZ      LYS  48   5.485 -10.449   6.676
  358    HZ2  LYS  48           1HZ      LYS  48   4.095  -9.525   6.813
  359    HZ3  LYS  48           2HZ      LYS  48   5.557  -8.960   7.479
  360    HA   PRO  49           HA       PRO  49  -1.712 -10.963   4.490
  361    HB2  PRO  49           2HB      PRO  49  -2.887  -8.931   6.272
  362    HB3  PRO  49           1HB      PRO  49  -2.954 -10.701   6.404
  363    HG2  PRO  49           2HG      PRO  49  -1.516  -9.263   8.106
  364    HG3  PRO  49           1HG      PRO  49  -0.971 -10.852   7.531
  365    HD2  PRO  49           2HD      PRO  49  -0.073  -8.140   6.661
  366    HD3  PRO  49           1HD      PRO  49   0.876  -9.609   6.982
  367    H    CYS  50           H        CYS  50  -2.912 -10.494   2.760
  368    HA   CYS  50           HA       CYS  50  -3.578  -7.744   2.264
  369    HB2  CYS  50           2HB      CYS  50  -3.398  -8.138  -0.152
  370    HB3  CYS  50           1HB      CYS  50  -1.888  -8.589   0.625
  371    H    THR  51           H        THR  51  -5.411  -8.440   0.123
  372    HA   THR  51           HA       THR  51  -7.774  -8.934   1.476
  373    HB   THR  51           HB       THR  51  -8.560  -9.570  -0.920
  374    HG1  THR  51           1HG      THR  51  -6.143  -8.351  -1.643
  375   HG21  THR  51          3HG2      THR  51  -8.822  -7.350   0.165
  376   HG22  THR  51          1HG2      THR  51  -8.492  -7.252  -1.581
  377   HG23  THR  51          2HG2      THR  51  -7.187  -6.970  -0.435
  378    H    VAL  52           H        VAL  52  -6.402 -10.990  -0.884
  379    HA   VAL  52           HA       VAL  52  -8.023 -13.223  -0.073
  380    HB   VAL  52           HB       VAL  52  -7.146 -14.410  -2.029
  381   HG11  VAL  52          1HG1      VAL  52  -8.058 -12.815  -3.719
  382   HG12  VAL  52          2HG1      VAL  52  -8.079 -11.571  -2.453
  383   HG13  VAL  52          3HG1      VAL  52  -9.077 -13.011  -2.293
  384   HG21  VAL  52          3HG2      VAL  52  -5.598 -13.404  -3.551
  385   HG22  VAL  52          1HG2      VAL  52  -4.851 -13.382  -1.964
  386   HG23  VAL  52          2HG2      VAL  52  -5.553 -11.901  -2.661
  387    H    GLY  53           H        GLY  53  -4.832 -12.346   0.746
  388    HA2  GLY  53           2HA      GLY  53  -4.484 -14.447   2.425
  389    HA3  GLY  53           1HA      GLY  53  -3.711 -14.887   0.892
  390    H    PHE  54           H        PHE  54  -1.653 -14.419   0.807
  391    HA   PHE  54           HA       PHE  54  -0.719 -12.173   2.444
  392    HB2  PHE  54           2HB      PHE  54   0.797 -14.674   1.677
  393    HB3  PHE  54           1HB      PHE  54   1.553 -13.275   2.430
  394    HD1  PHE  54           1HD      PHE  54   0.930 -12.627   4.725
  395    HD2  PHE  54           2HD      PHE  54  -0.475 -16.228   2.945
  396    HE1  PHE  54           1HE      PHE  54   0.341 -13.489   6.950
  397    HE2  PHE  54           2HE      PHE  54  -1.068 -17.098   5.168
  398    HZ   PHE  54           HZ       PHE  54  -0.661 -15.727   7.175
  399    H    CYS  55           H        CYS  55   0.921 -10.936   1.669
  400    HA   CYS  55           HA       CYS  55   0.608 -10.372  -1.165
  401    HB2  CYS  55           2HB      CYS  55   0.175  -8.654   0.549
  402    HB3  CYS  55           1HB      CYS  55   1.841  -8.887   1.089
  403    H    ASP  56           H        ASP  56   2.240 -10.766  -2.554
  404    HA   ASP  56           HA       ASP  56   4.883 -11.257  -1.464
  405    HB2  ASP  56           2HB      ASP  56   4.011 -12.987  -3.005
  406    HB3  ASP  56           1HB      ASP  56   3.765 -11.763  -4.249
  407    H    MET  57           H        MET  57   6.664 -10.300  -2.956
  408    HA   MET  57           HA       MET  57   6.371  -7.459  -2.795
  409    HB2  MET  57           2HB      MET  57   8.627  -9.088  -3.950
  410    HB3  MET  57           1HB      MET  57   8.679  -7.351  -3.682
  411    HG2  MET  57           2HG      MET  57   8.320  -7.754  -1.273
  412    HG3  MET  57           1HG      MET  57   8.375  -9.484  -1.601
  413    HE1  MET  57           3HE      MET  57  12.090  -9.988  -2.762
  414    HE2  MET  57           1HE      MET  57  10.699  -9.687  -3.803
  415    HE3  MET  57           2HE      MET  57  10.549 -10.776  -2.424
  416    H    ASN  58           H        ASN  58   5.764  -9.683  -5.251
  417    HA   ASN  58           HA       ASN  58   6.036  -7.831  -7.460
  418    HB2  ASN  58           2HB      ASN  58   4.860 -10.610  -7.275
  419    HB3  ASN  58           1HB      ASN  58   4.873  -9.670  -8.760
  420   HD21  ASN  58          1HD2      ASN  58   6.834 -11.417  -6.431
  421   HD22  ASN  58          2HD2      ASN  58   8.228 -11.494  -7.448
  422    H    GLY  59           H        GLY  59   3.860  -7.957  -5.016
  423    HA2  GLY  59           2HA      GLY  59   1.873  -6.751  -4.782
  424    HA3  GLY  59           1HA      GLY  59   1.911  -6.429  -6.515
  425    H    LYS  60           H        LYS  60   2.378  -9.616  -5.703
  426    HA   LYS  60           HA       LYS  60  -0.432 -10.377  -6.384
  427    HB2  LYS  60           2HB      LYS  60   2.233 -11.638  -6.899
  428    HB3  LYS  60           1HB      LYS  60   0.822 -12.640  -6.677
  429    HG2  LYS  60           2HG      LYS  60   1.279 -12.368  -9.057
  430    HG3  LYS  60           1HG      LYS  60  -0.239 -11.602  -8.594
  431    HD2  LYS  60           2HD      LYS  60   2.218  -9.899  -8.691
  432    HD3  LYS  60           1HD      LYS  60   1.506 -10.399 -10.225
  433    HE2  LYS  60           2HE      LYS  60  -0.583  -9.364  -9.661
  434    HE3  LYS  60           1HE      LYS  60  -0.047  -9.066  -8.013
  435    HZ1  LYS  60           3HZ      LYS  60   0.938  -7.714 -10.476
  436    HZ2  LYS  60           1HZ      LYS  60   1.638  -7.541  -8.919
  437    HZ3  LYS  60           2HZ      LYS  60   0.028  -7.106  -9.192
  438    H    CYS  61           H        CYS  61  -1.383 -11.790  -5.390
  439    HA   CYS  61           HA       CYS  61  -0.486 -12.018  -2.654
  440    HB2  CYS  61           2HB      CYS  61  -2.949 -11.577  -4.050
  441    HB3  CYS  61           1HB      CYS  61  -3.125 -12.457  -2.491
  442    H    GLU  62           H        GLU  62  -0.546 -13.934  -1.676
  443    HA   GLU  62           HA       GLU  62  -0.832 -16.250  -3.336
  444    HB2  GLU  62           2HB      GLU  62   1.071 -17.166  -2.042
  445    HB3  GLU  62           1HB      GLU  62   1.462 -15.634  -2.819
  446    HG2  GLU  62           2HG      GLU  62   0.933 -14.547  -0.572
  447    HG3  GLU  62           1HG      GLU  62   1.028 -16.174   0.094
  Start of MODEL    7
    1    H    PHE   1           1HT      PHE   1   7.152   5.831   3.196
    2    HA   PHE   1           HA       PHE   1   6.043   4.405   1.860
    3    HB2  PHE   1           2HB      PHE   1   4.432   3.528   4.280
    4    HB3  PHE   1           1HB      PHE   1   4.168   2.992   2.644
    5    HD1  PHE   1           1HD      PHE   1   6.322   2.938   5.449
    6    HD2  PHE   1           2HD      PHE   1   5.364   1.126   1.771
    7    HE1  PHE   1           1HE      PHE   1   7.820   0.987   6.039
    8    HE2  PHE   1           2HE      PHE   1   6.818  -0.797   2.283
    9    HZ   PHE   1           HZ       PHE   1   8.050  -0.872   4.424
   10    H    CYS   2           H        CYS   2   4.039   5.293   4.603
   11    HA   CYS   2           HA       CYS   2   2.759   7.097   2.732
   12    HB2  CYS   2           2HB      CYS   2   1.427   5.149   3.441
   13    HB3  CYS   2           1HB      CYS   2   1.460   5.779   5.087
   14    H    GLU   3           H        GLU   3   3.822   6.701   6.037
   15    HA   GLU   3           HA       GLU   3   2.914   8.963   7.309
   16    HB2  GLU   3           2HB      GLU   3   5.561   8.584   8.254
   17    HB3  GLU   3           1HB      GLU   3   4.072   8.065   9.003
   18    HG2  GLU   3           2HG      GLU   3   5.798   6.278   8.777
   19    HG3  GLU   3           1HG      GLU   3   4.260   5.881   8.027
   20    H    ARG   4           H        ARG   4   6.290   8.759   6.165
   21    HA   ARG   4           HA       ARG   4   6.584  11.526   6.258
   22    HB2  ARG   4           2HB      ARG   4   8.471  10.007   6.541
   23    HB3  ARG   4           1HB      ARG   4   8.275   9.414   4.912
   24    HG2  ARG   4           2HG      ARG   4   8.899  12.315   5.284
   25    HG3  ARG   4           1HG      ARG   4  10.183  11.159   5.596
   26    HD2  ARG   4           2HD      ARG   4  10.563  11.764   3.353
   27    HD3  ARG   4           1HD      ARG   4   9.631  10.288   3.175
   28    HE   ARG   4           HE       ARG   4   7.989  12.631   3.153
   29   HH11  ARG   4          1HH1      ARG   4   9.991  10.595   0.995
   30   HH12  ARG   4          2HH1      ARG   4   9.158  11.120  -0.413
   31   HH21  ARG   4          1HH2      ARG   4   6.932  13.316   1.143
   32   HH22  ARG   4          2HH2      ARG   4   7.434  12.655  -0.335
   33    H    GLU   5           H        GLU   5   5.780   9.248   3.850
   34    HA   GLU   5           HA       GLU   5   6.611  10.895   1.704
   35    HB2  GLU   5           2HB      GLU   5   5.188   8.294   1.525
   36    HB3  GLU   5           1HB      GLU   5   6.224   9.040   0.299
   37    HG2  GLU   5           2HG      GLU   5   8.047   8.903   2.268
   38    HG3  GLU   5           1HG      GLU   5   6.911   7.661   2.819
   39    H    GLN   6           H        GLN   6   3.445  10.276   3.109
   40    HA   GLN   6           HA       GLN   6   2.334  12.026   0.989
   41    HB2  GLN   6           2HB      GLN   6   0.965   9.869   2.563
   42    HB3  GLN   6           1HB      GLN   6   0.239  10.917   1.356
   43    HG2  GLN   6           2HG      GLN   6   2.449   8.987   0.785
   44    HG3  GLN   6           1HG      GLN   6   0.671   8.679   0.686
   45   HE21  GLN   6          1HE2      GLN   6   3.272  10.690  -0.639
   46   HE22  GLN   6          2HE2      GLN   6   2.467  10.910  -2.153
   47    H    GLN   7           H        GLN   7   3.005  11.490   4.288
   48    HA   GLN   7           HA       GLN   7   2.433  12.130   6.112
   49    HB2  GLN   7           2HB      GLN   7   1.328  14.551   4.681
   50    HB3  GLN   7           1HB      GLN   7   1.523  14.477   6.431
   51    HG2  GLN   7           2HG      GLN   7   3.895  14.144   6.193
   52    HG3  GLN   7           1HG      GLN   7   3.733  14.085   4.445
   53   HE21  GLN   7          1HE2      GLN   7   1.951  16.332   6.428
   54   HE22  GLN   7          2HE2      GLN   7   2.799  17.756   5.913
   55    H    LEU   8           H        LEU   8   0.695  10.534   4.625
   56    HA   LEU   8           HA       LEU   8  -2.039  10.922   5.721
   57    HB2  LEU   8           2HB      LEU   8  -1.005   9.170   3.513
   58    HB3  LEU   8           1HB      LEU   8  -2.650   9.199   4.109
   59    HG   LEU   8           HG       LEU   8  -1.293  11.557   3.000
   60   HD11  LEU   8          1HD1      LEU   8  -3.097   9.578   1.526
   61   HD12  LEU   8          2HD1      LEU   8  -1.360   9.730   1.266
   62   HD13  LEU   8          3HD1      LEU   8  -2.442  11.058   0.821
   63   HD21  LEU   8          3HD2      LEU   8  -3.236  12.082   4.296
   64   HD22  LEU   8          1HD2      LEU   8  -4.203  10.901   3.412
   65   HD23  LEU   8          2HD2      LEU   8  -3.618  12.351   2.597
   66    H    GLU   9           H        GLU   9  -2.987   8.968   6.036
   67    HA   GLU   9           HA       GLU   9  -1.516   7.417   8.055
   68    HB2  GLU   9           2HB      GLU   9  -4.009   8.287   8.155
   69    HB3  GLU   9           1HB      GLU   9  -4.177   6.926   7.029
   70    HG2  GLU   9           2HG      GLU   9  -3.574   5.342   8.665
   71    HG3  GLU   9           1HG      GLU   9  -3.231   6.619   9.844
   72    H    SER  10           H        SER  10  -1.015   5.279   7.626
   73    HA   SER  10           HA       SER  10  -0.929   4.453   4.949
   74    HB2  SER  10           2HB      SER  10   0.148   2.596   5.913
   75    HB3  SER  10           1HB      SER  10   0.681   4.220   6.559
   76    HG   SER  10           HG       SER  10  -1.304   2.990   8.000
   77    H    CYS  11           H        CYS  11  -2.083   2.535   4.174
   78    HA   CYS  11           HA       CYS  11  -3.920   1.216   5.933
   79    HB2  CYS  11           2HB      CYS  11  -6.024   1.919   4.974
   80    HB3  CYS  11           1HB      CYS  11  -5.131   3.417   5.070
   81    H    ALA  12           H        ALA  12  -5.270  -0.389   4.436
   82    HA   ALA  12           HA       ALA  12  -3.534  -1.240   2.248
   83    HB1  ALA  12           1HB      ALA  12  -3.310  -2.786   4.152
   84    HB2  ALA  12           2HB      ALA  12  -4.145  -3.564   2.809
   85    HB3  ALA  12           3HB      ALA  12  -5.062  -2.984   4.199
   86    H    CYS  13           H        CYS  13  -4.593  -1.394   0.370
   87    HA   CYS  13           HA       CYS  13  -7.288  -0.562   0.220
   88    HB2  CYS  13           2HB      CYS  13  -5.440  -1.714  -1.871
   89    HB3  CYS  13           1HB      CYS  13  -7.017  -1.035  -2.207
   90    H    ASN  14           H        ASN  14  -9.069  -1.612   0.296
   91    HA   ASN  14           HA       ASN  14  -9.367  -4.268   1.078
   92    HB2  ASN  14           2HB      ASN  14 -11.057  -2.454   1.372
   93    HB3  ASN  14           1HB      ASN  14 -11.374  -2.539  -0.358
   94   HD21  ASN  14          1HD2      ASN  14 -12.664  -4.236  -1.161
   95   HD22  ASN  14          2HD2      ASN  14 -13.495  -5.316  -0.095
   96    H    GLU  15           H        GLU  15  -9.038  -2.937  -2.108
   97    HA   GLU  15           HA       GLU  15 -10.172  -4.942  -3.536
   98    HB2  GLU  15           2HB      GLU  15  -9.575  -2.636  -4.365
   99    HB3  GLU  15           1HB      GLU  15  -7.892  -3.123  -4.321
  100    HG2  GLU  15           2HG      GLU  15  -9.941  -4.456  -6.076
  101    HG3  GLU  15           1HG      GLU  15  -8.951  -3.093  -6.593
  102    H    THR  16           H        THR  16  -9.134  -6.846  -4.408
  103    HA   THR  16           HA       THR  16  -7.548  -8.295  -2.700
  104    HB   THR  16           HB       THR  16  -8.083  -8.664  -5.631
  105    HG1  THR  16           1HG      THR  16  -9.502  -8.990  -3.362
  106   HG21  THR  16          3HG2      THR  16  -7.386 -10.993  -5.345
  107   HG22  THR  16          1HG2      THR  16  -7.068 -10.713  -3.627
  108   HG23  THR  16          2HG2      THR  16  -6.070  -9.918  -4.838
  109    H    ASP  17           H        ASP  17  -6.488  -6.800  -5.734
  110    HA   ASP  17           HA       ASP  17  -3.918  -7.895  -5.305
  111    HB2  ASP  17           2HB      ASP  17  -4.726  -7.607  -7.551
  112    HB3  ASP  17           1HB      ASP  17  -4.915  -5.873  -7.204
  113    H    ASN  18           H        ASN  18  -5.510  -4.784  -4.919
  114    HA   ASN  18           HA       ASN  18  -3.071  -3.464  -4.411
  115    HB2  ASN  18           2HB      ASN  18  -5.913  -2.531  -4.447
  116    HB3  ASN  18           1HB      ASN  18  -4.635  -1.502  -3.799
  117   HD21  ASN  18          1HD2      ASN  18  -5.763  -3.182  -6.666
  118   HD22  ASN  18          2HD2      ASN  18  -4.871  -2.229  -7.793
  119    H    SER  19           H        SER  19  -4.671  -5.541  -2.577
  120    HA   SER  19           HA       SER  19  -4.227  -4.280  -0.039
  121    HB2  SER  19           2HB      SER  19  -4.298  -7.271  -0.663
  122    HB3  SER  19           1HB      SER  19  -4.412  -6.567   0.920
  123    HG   SER  19           HG       SER  19  -6.213  -5.360  -0.552
  124    H    CYS  20           H        CYS  20  -2.215  -5.512  -2.440
  125    HA   CYS  20           HA       CYS  20   0.017  -5.813  -0.586
  126    HB2  CYS  20           2HB      CYS  20  -0.349  -6.727  -3.415
  127    HB3  CYS  20           1HB      CYS  20   1.122  -7.020  -2.506
  128    H    LYS  21           H        LYS  21  -1.277  -3.303  -1.998
  129    HA   LYS  21           HA       LYS  21   1.298  -1.975  -2.545
  130    HB2  LYS  21           2HB      LYS  21  -1.464  -1.604  -3.674
  131    HB3  LYS  21           1HB      LYS  21  -0.246  -0.337  -3.694
  132    HG2  LYS  21           2HG      LYS  21  -0.193  -1.271  -5.846
  133    HG3  LYS  21           1HG      LYS  21   1.176  -1.957  -4.952
  134    HD2  LYS  21           2HD      LYS  21  -0.051  -4.038  -4.634
  135    HD3  LYS  21           1HD      LYS  21  -1.442  -3.351  -5.485
  136    HE2  LYS  21           2HE      LYS  21  -0.132  -3.098  -7.507
  137    HE3  LYS  21           1HE      LYS  21   1.299  -3.703  -6.682
  138    HZ1  LYS  21           3HZ      LYS  21   0.290  -5.455  -8.008
  139    HZ2  LYS  21           1HZ      LYS  21  -1.187  -5.222  -7.271
  140    HZ3  LYS  21           2HZ      LYS  21   0.084  -5.844  -6.389
  141    H    VAL  22           H        VAL  22   1.604  -0.195  -2.055
  142    HA   VAL  22           HA       VAL  22   0.859   0.160   0.653
  143    HB   VAL  22           HB       VAL  22   2.640   1.785  -1.130
  144   HG11  VAL  22          1HG1      VAL  22   1.685   3.037   0.659
  145   HG12  VAL  22          2HG1      VAL  22   3.429   2.804   0.898
  146   HG13  VAL  22          3HG1      VAL  22   2.247   1.859   1.853
  147   HG21  VAL  22          3HG2      VAL  22   3.207  -0.399   0.908
  148   HG22  VAL  22          1HG2      VAL  22   4.450   0.574   0.116
  149   HG23  VAL  22          2HG2      VAL  22   3.360  -0.539  -0.802
  150    H    CYS  23           H        CYS  23  -0.924   0.813   0.860
  151    HA   CYS  23           HA       CYS  23  -1.964   3.133  -0.629
  152    HB2  CYS  23           2HB      CYS  23  -3.507   1.426   1.269
  153    HB3  CYS  23           1HB      CYS  23  -4.067   2.604   0.062
  154    H    CYS  24           H        CYS  24  -3.337   4.628   0.572
  155    HA   CYS  24           HA       CYS  24  -2.355   5.326   3.176
  156    HB2  CYS  24           2HB      CYS  24  -2.388   6.969   0.658
  157    HB3  CYS  24           1HB      CYS  24  -2.374   7.691   2.266
  158    H    ARG  25           H        ARG  25  -3.887   6.975   4.088
  159    HA   ARG  25           HA       ARG  25  -6.526   6.171   3.162
  160    HB2  ARG  25           2HB      ARG  25  -5.424   5.310   5.397
  161    HB3  ARG  25           1HB      ARG  25  -5.850   6.915   5.951
  162    HG2  ARG  25           2HG      ARG  25  -7.939   5.426   4.609
  163    HG3  ARG  25           1HG      ARG  25  -7.440   4.814   6.198
  164    HD2  ARG  25           2HD      ARG  25  -8.351   7.635   5.509
  165    HD3  ARG  25           1HD      ARG  25  -9.331   6.427   6.346
  166    HE   ARG  25           HE       ARG  25  -7.185   6.576   7.928
  167   HH11  ARG  25          1HH1      ARG  25  -9.071   9.206   6.495
  168   HH12  ARG  25          2HH1      ARG  25  -8.973  10.227   7.855
  169   HH21  ARG  25          1HH2      ARG  25  -6.941   7.950   9.733
  170   HH22  ARG  25          2HH2      ARG  25  -7.672   9.478   9.815
  171    H    ASP  26           H        ASP  26  -7.813   7.793   2.628
  172    HA   ASP  26           HA       ASP  26  -6.687  10.437   2.808
  173    HB2  ASP  26           2HB      ASP  26  -7.870  10.924   0.879
  174    HB3  ASP  26           1HB      ASP  26  -7.618   9.195   0.653
  175    H    LEU  27           H        LEU  27  -8.689  11.864   2.647
  176    HA   LEU  27           HA       LEU  27  -9.423  12.194   5.280
  177    HB2  LEU  27           2HB      LEU  27 -10.598  13.772   3.030
  178    HB3  LEU  27           1HB      LEU  27 -10.392  14.297   4.691
  179    HG   LEU  27           HG       LEU  27  -7.831  13.838   3.998
  180   HD11  LEU  27          1HD1      LEU  27  -8.334  13.191   1.725
  181   HD12  LEU  27          2HD1      LEU  27  -7.399  14.685   1.754
  182   HD13  LEU  27          3HD1      LEU  27  -9.135  14.734   1.447
  183   HD21  LEU  27          3HD2      LEU  27  -8.671  15.895   5.009
  184   HD22  LEU  27          1HD2      LEU  27  -9.380  16.376   3.466
  185   HD23  LEU  27          2HD2      LEU  27  -7.628  16.268   3.636
  186    H    SER  28           H        SER  28 -11.148  11.014   2.479
  187    HA   SER  28           HA       SER  28 -13.682  11.184   3.697
  188    HB2  SER  28           2HB      SER  28 -13.327  11.296   1.221
  189    HB3  SER  28           1HB      SER  28 -12.790   9.622   1.241
  190    HG   SER  28           HG       SER  28 -15.329  10.682   1.830
  191    H    GLY  29           H        GLY  29 -10.976   9.197   3.781
  192    HA2  GLY  29           2HA      GLY  29 -10.532   7.572   5.061
  193    HA3  GLY  29           1HA      GLY  29 -12.237   7.270   5.470
  194    H    ARG  30           H        ARG  30 -10.710   7.418   2.270
  195    HA   ARG  30           HA       ARG  30 -11.395   4.622   1.785
  196    HB2  ARG  30           2HB      ARG  30 -11.006   7.020   0.003
  197    HB3  ARG  30           1HB      ARG  30 -10.711   5.423  -0.633
  198    HG2  ARG  30           2HG      ARG  30 -12.901   6.220  -1.292
  199    HG3  ARG  30           1HG      ARG  30 -13.060   4.832  -0.234
  200    HD2  ARG  30           2HD      ARG  30 -13.304   7.659   0.767
  201    HD3  ARG  30           1HD      ARG  30 -14.676   6.786   0.091
  202    HE   ARG  30           HE       ARG  30 -13.290   5.390   2.178
  203   HH11  ARG  30          1HH1      ARG  30 -15.708   7.869   1.612
  204   HH12  ARG  30          2HH1      ARG  30 -16.593   7.573   3.036
  205   HH21  ARG  30          1HH2      ARG  30 -14.424   4.971   4.145
  206   HH22  ARG  30          2HH2      ARG  30 -15.830   5.851   4.545
  207    H    CYS  31           H        CYS  31  -9.723   3.691   0.157
  208    HA   CYS  31           HA       CYS  31  -7.093   4.337   1.182
  209    HB2  CYS  31           2HB      CYS  31  -8.305   1.739   0.382
  210    HB3  CYS  31           1HB      CYS  31  -6.565   1.968   0.227
  211    H    VAL  32           H        VAL  32  -5.858   5.333  -0.063
  212    HA   VAL  32           HA       VAL  32  -6.186   4.979  -2.829
  213    HB   VAL  32           HB       VAL  32  -4.831   7.261  -2.894
  214   HG11  VAL  32          1HG1      VAL  32  -7.764   7.032  -2.242
  215   HG12  VAL  32          2HG1      VAL  32  -6.979   6.820  -3.815
  216   HG13  VAL  32          3HG1      VAL  32  -6.978   8.415  -3.042
  217   HG21  VAL  32          3HG2      VAL  32  -4.661   7.166  -0.355
  218   HG22  VAL  32          1HG2      VAL  32  -6.359   7.615  -0.284
  219   HG23  VAL  32          2HG2      VAL  32  -5.196   8.715  -1.028
  220    HA   PRO  33           HA       PRO  33  -2.111   3.181  -2.728
  221    HB2  PRO  33           2HB      PRO  33  -1.395   3.694  -5.337
  222    HB3  PRO  33           1HB      PRO  33  -2.490   2.373  -4.879
  223    HG2  PRO  33           2HG      PRO  33  -3.167   5.064  -5.949
  224    HG3  PRO  33           1HG      PRO  33  -3.886   3.485  -6.327
  225    HD2  PRO  33           2HD      PRO  33  -5.122   5.212  -4.641
  226    HD3  PRO  33           1HD      PRO  33  -5.176   3.453  -4.415
  227    H    TYR  34           H        TYR  34  -0.221   4.090  -1.934
  228    HA   TYR  34           HA       TYR  34   0.098   6.892  -1.935
  229    HB2  TYR  34           2HB      TYR  34   1.299   6.309  -0.217
  230    HB3  TYR  34           1HB      TYR  34   1.407   4.616  -0.724
  231    HD1  TYR  34           1HD      TYR  34   3.055   8.048  -1.224
  232    HD2  TYR  34           2HD      TYR  34   3.683   3.751  -1.370
  233    HE1  TYR  34           1HE      TYR  34   5.233   8.334  -1.544
  234    HE2  TYR  34           2HE      TYR  34   5.992   4.235  -1.718
  235    HH   TYR  34           HH       TYR  34   7.454   6.805  -1.038
  236    H    VAL  35           H        VAL  35   1.260   8.346  -3.216
  237    HA   VAL  35           HA       VAL  35   3.327   7.229  -4.833
  238    HB   VAL  35           HB       VAL  35   2.194   9.506  -5.992
  239   HG11  VAL  35          1HG1      VAL  35   2.701   6.804  -7.104
  240   HG12  VAL  35          2HG1      VAL  35   3.752   8.227  -7.034
  241   HG13  VAL  35          3HG1      VAL  35   2.316   8.250  -8.064
  242   HG21  VAL  35          3HG2      VAL  35   0.104   8.620  -7.000
  243   HG22  VAL  35          1HG2      VAL  35   0.014   8.745  -5.241
  244   HG23  VAL  35          2HG2      VAL  35   0.267   7.172  -6.001
  245    H    ASP  36           H        ASP  36   5.111   8.416  -4.549
  246    HA   ASP  36           HA       ASP  36   4.715  11.143  -3.452
  247    HB2  ASP  36           2HB      ASP  36   5.583  10.058  -1.679
  248    HB3  ASP  36           1HB      ASP  36   6.744   9.052  -2.595
  249    H    ALA  37           H        ALA  37   6.130  12.360  -3.664
  250    HA   ALA  37           HA       ALA  37   5.130  13.454  -5.747
  251    HB1  ALA  37           1HB      ALA  37   6.344  14.289  -4.002
  252    HB2  ALA  37           2HB      ALA  37   6.616  15.233  -5.506
  253    HB3  ALA  37           3HB      ALA  37   7.871  14.112  -4.865
  254    H    GLU  38           H        GLU  38   7.962  11.457  -6.166
  255    HA   GLU  38           HA       GLU  38   8.666  12.203  -8.684
  256    HB2  GLU  38           2HB      GLU  38   9.113   9.916  -6.913
  257    HB3  GLU  38           1HB      GLU  38  10.050  10.092  -8.419
  258    HG2  GLU  38           2HG      GLU  38  10.054  11.806  -5.919
  259    HG3  GLU  38           1HG      GLU  38  11.378  10.820  -6.532
  260    H    GLN  39           H        GLN  39   5.841  10.661  -7.546
  261    HA   GLN  39           HA       GLN  39   4.269   9.558  -8.250
  262    HB2  GLN  39           2HB      GLN  39   5.894   9.762 -10.605
  263    HB3  GLN  39           1HB      GLN  39   4.247   9.024 -10.767
  264    HG2  GLN  39           2HG      GLN  39   5.097  11.758  -9.859
  265    HG3  GLN  39           1HG      GLN  39   4.274  11.450 -11.410
  266   HE21  GLN  39          1HE2      GLN  39   3.603  13.235  -9.243
  267   HE22  GLN  39          2HE2      GLN  39   2.034  12.754  -8.666
  268    H    LYS  40           H        LYS  40   6.472   8.474  -6.983
  269    HA   LYS  40           HA       LYS  40   6.673   5.795  -7.939
  270    HB2  LYS  40           2HB      LYS  40   8.218   5.521  -6.211
  271    HB3  LYS  40           1HB      LYS  40   8.446   7.028  -7.219
  272    HG2  LYS  40           2HG      LYS  40   7.685   8.371  -5.398
  273    HG3  LYS  40           1HG      LYS  40   7.445   6.911  -4.419
  274    HD2  LYS  40           2HD      LYS  40   9.776   6.435  -4.355
  275    HD3  LYS  40           1HD      LYS  40  10.124   7.612  -5.618
  276    HE2  LYS  40           2HE      LYS  40  10.833   8.467  -3.475
  277    HE3  LYS  40           1HE      LYS  40   9.479   9.414  -4.079
  278    HZ1  LYS  40           3HZ      LYS  40   8.114   7.746  -2.573
  279    HZ2  LYS  40           1HZ      LYS  40   8.889   9.099  -1.951
  280    HZ3  LYS  40           2HZ      LYS  40   9.549   7.583  -1.764
  281    H    ASN  41           H        ASN  41   5.940   4.078  -6.989
  282    HA   ASN  41           HA       ASN  41   4.078   4.263  -4.743
  283    HB2  ASN  41           2HB      ASN  41   2.982   4.101  -7.023
  284    HB3  ASN  41           1HB      ASN  41   3.987   2.664  -7.225
  285   HD21  ASN  41          1HD2      ASN  41   1.363   3.949  -5.209
  286   HD22  ASN  41          2HD2      ASN  41   0.615   2.413  -4.920
  287    H    LEU  42           H        LEU  42   3.716   1.571  -4.437
  288    HA   LEU  42           HA       LEU  42   6.309   0.245  -4.311
  289    HB2  LEU  42           2HB      LEU  42   4.794   0.963  -1.850
  290    HB3  LEU  42           1HB      LEU  42   6.174  -0.102  -1.918
  291    HG   LEU  42           HG       LEU  42   6.241   2.760  -2.651
  292   HD11  LEU  42          1HD1      LEU  42   7.131   3.058  -0.281
  293   HD12  LEU  42          2HD1      LEU  42   6.706   1.356   0.007
  294   HD13  LEU  42          3HD1      LEU  42   5.446   2.526  -0.395
  295   HD21  LEU  42          3HD2      LEU  42   8.410   0.809  -1.845
  296   HD22  LEU  42          1HD2      LEU  42   8.665   2.519  -2.188
  297   HD23  LEU  42          2HD2      LEU  42   8.126   1.436  -3.470
  298    H    PHE  43           H        PHE  43   6.089  -1.917  -3.767
  299    HA   PHE  43           HA       PHE  43   3.491  -2.923  -3.592
  300    HB2  PHE  43           2HB      PHE  43   6.206  -4.036  -4.025
  301    HB3  PHE  43           1HB      PHE  43   4.781  -5.088  -3.939
  302    HD1  PHE  43           2HD      PHE  43   3.035  -4.796  -5.772
  303    HD2  PHE  43           1HD      PHE  43   6.874  -2.973  -5.963
  304    HE1  PHE  43           2HE      PHE  43   2.764  -4.478  -8.199
  305    HE2  PHE  43           1HE      PHE  43   6.608  -2.653  -8.385
  306    HZ   PHE  43           HZ       PHE  43   4.550  -3.406  -9.505
  307    H    LEU  44           H        LEU  44   2.930  -3.869  -1.537
  308    HA   LEU  44           HA       LEU  44   4.337  -3.182   0.579
  309    HB2  LEU  44           2HB      LEU  44   2.025  -4.985   0.216
  310    HB3  LEU  44           1HB      LEU  44   2.825  -5.018   1.772
  311    HG   LEU  44           HG       LEU  44   1.655  -2.529   0.497
  312   HD11  LEU  44          1HD1      LEU  44  -0.074  -4.136   1.134
  313   HD12  LEU  44          2HD1      LEU  44  -0.071  -2.738   2.211
  314   HD13  LEU  44          3HD1      LEU  44   0.637  -4.263   2.743
  315   HD21  LEU  44          3HD2      LEU  44   2.721  -3.030   3.276
  316   HD22  LEU  44          1HD2      LEU  44   2.003  -1.533   2.693
  317   HD23  LEU  44          2HD2      LEU  44   3.544  -2.088   2.040
  318    H    ARG  45           H        ARG  45   4.694  -5.129   2.389
  319    HA   ARG  45           HA       ARG  45   7.072  -6.329   1.594
  320    HB2  ARG  45           2HB      ARG  45   5.325  -6.451   3.919
  321    HB3  ARG  45           1HB      ARG  45   6.942  -7.252   3.952
  322    HG2  ARG  45           2HG      ARG  45   6.152  -4.310   3.837
  323    HG3  ARG  45           1HG      ARG  45   7.043  -5.117   5.120
  324    HD2  ARG  45           2HD      ARG  45   8.078  -4.669   2.306
  325    HD3  ARG  45           1HD      ARG  45   8.441  -3.647   3.686
  326    HE   ARG  45           HE       ARG  45   9.149  -6.215   4.402
  327   HH11  ARG  45          1HH1      ARG  45  10.142  -3.833   1.969
  328   HH12  ARG  45          2HH1      ARG  45  11.764  -4.317   1.891
  329   HH21  ARG  45          1HH2      ARG  45  11.456  -6.921   4.327
  330   HH22  ARG  45          2HH2      ARG  45  12.525  -6.136   3.280
  331    H    LYS  46           H        LYS  46   7.495  -8.673   2.048
  332    HA   LYS  46           HA       LYS  46   5.561 -10.109   0.425
  333    HB2  LYS  46           2HB      LYS  46   8.514 -10.510   0.885
  334    HB3  LYS  46           1HB      LYS  46   7.524 -11.701   0.056
  335    HG2  LYS  46           2HG      LYS  46   8.673 -10.323  -1.561
  336    HG3  LYS  46           1HG      LYS  46   6.941 -10.011  -1.650
  337    HD2  LYS  46           2HD      LYS  46   7.450  -7.985  -0.139
  338    HD3  LYS  46           1HD      LYS  46   9.141  -8.264  -0.554
  339    HE2  LYS  46           2HE      LYS  46   8.227  -6.604  -2.056
  340    HE3  LYS  46           1HE      LYS  46   8.527  -8.088  -2.958
  341    HZ1  LYS  46           3HZ      LYS  46   6.387  -7.236  -3.587
  342    HZ2  LYS  46           1HZ      LYS  46   5.898  -7.112  -1.965
  343    HZ3  LYS  46           2HZ      LYS  46   6.134  -8.628  -2.682
  344    H    GLY  47           H        GLY  47   4.686 -12.007   0.841
  345    HA2  GLY  47           2HA      GLY  47   3.751 -13.687   2.044
  346    HA3  GLY  47           1HA      GLY  47   5.272 -13.790   2.979
  347    H    LYS  48           H        LYS  48   2.916 -11.270   2.450
  348    HA   LYS  48           HA       LYS  48   2.458 -11.227   5.341
  349    HB2  LYS  48           2HB      LYS  48   2.825  -9.217   3.287
  350    HB3  LYS  48           1HB      LYS  48   2.124  -8.686   4.854
  351    HG2  LYS  48           2HG      LYS  48   4.849  -9.938   4.307
  352    HG3  LYS  48           1HG      LYS  48   4.561  -8.263   4.771
  353    HD2  LYS  48           2HD      LYS  48   4.073  -8.815   6.966
  354    HD3  LYS  48           1HD      LYS  48   3.620 -10.469   6.595
  355    HE2  LYS  48           2HE      LYS  48   6.418  -9.351   6.481
  356    HE3  LYS  48           1HE      LYS  48   5.759 -10.325   7.795
  357    HZ1  LYS  48           3HZ      LYS  48   6.968 -11.818   6.377
  358    HZ2  LYS  48           1HZ      LYS  48   6.236 -11.204   4.977
  359    HZ3  LYS  48           2HZ      LYS  48   5.330 -12.077   6.041
  360    HA   PRO  49           HA       PRO  49  -1.853 -11.836   4.832
  361    HB2  PRO  49           2HB      PRO  49  -2.286  -9.402   6.491
  362    HB3  PRO  49           1HB      PRO  49  -2.901 -11.051   6.731
  363    HG2  PRO  49           2HG      PRO  49  -0.955 -10.165   8.244
  364    HG3  PRO  49           1HG      PRO  49  -0.930 -11.827   7.621
  365    HD2  PRO  49           2HD      PRO  49   0.641  -9.466   6.711
  366    HD3  PRO  49           1HD      PRO  49   1.120 -11.170   6.865
  367    H    CYS  50           H        CYS  50  -3.291 -11.372   3.355
  368    HA   CYS  50           HA       CYS  50  -3.876  -8.735   2.544
  369    HB2  CYS  50           2HB      CYS  50  -2.227  -8.985   0.988
  370    HB3  CYS  50           1HB      CYS  50  -2.381 -10.753   0.845
  371    H    THR  51           H        THR  51  -5.555  -9.365   0.510
  372    HA   THR  51           HA       THR  51  -7.907 -10.117   1.746
  373    HB   THR  51           HB       THR  51  -8.713 -10.287  -0.691
  374    HG1  THR  51           1HG      THR  51  -6.306  -9.094  -1.459
  375   HG21  THR  51          3HG2      THR  51  -8.660  -8.203   0.783
  376   HG22  THR  51          1HG2      THR  51  -8.574  -7.924  -0.978
  377   HG23  THR  51          2HG2      THR  51  -7.101  -7.884  -0.028
  378    H    VAL  52           H        VAL  52  -6.436 -11.772  -0.889
  379    HA   VAL  52           HA       VAL  52  -7.981 -14.158  -0.325
  380    HB   VAL  52           HB       VAL  52  -7.317 -14.982  -2.486
  381   HG11  VAL  52          1HG1      VAL  52  -9.172 -13.457  -2.436
  382   HG12  VAL  52          2HG1      VAL  52  -8.213 -13.105  -3.886
  383   HG13  VAL  52          3HG1      VAL  52  -8.089 -12.068  -2.468
  384   HG21  VAL  52          3HG2      VAL  52  -4.958 -14.111  -2.434
  385   HG22  VAL  52          1HG2      VAL  52  -5.576 -12.516  -2.787
  386   HG23  VAL  52          2HG2      VAL  52  -5.764 -13.799  -3.973
  387    H    GLY  53           H        GLY  53  -4.964 -13.148   0.625
  388    HA2  GLY  53           2HA      GLY  53  -4.274 -15.344   1.931
  389    HA3  GLY  53           1HA      GLY  53  -3.560 -15.574   0.325
  390    H    PHE  54           H        PHE  54  -1.530 -14.940   0.239
  391    HA   PHE  54           HA       PHE  54  -0.709 -12.774   2.005
  392    HB2  PHE  54           2HB      PHE  54   1.581 -13.733   1.938
  393    HB3  PHE  54           1HB      PHE  54   0.285 -14.889   2.369
  394    HD1  PHE  54           1HD      PHE  54   2.180 -13.829  -0.689
  395    HD2  PHE  54           2HD      PHE  54   0.435 -16.992   1.564
  396    HE1  PHE  54           1HE      PHE  54   3.041 -15.459  -2.316
  397    HE2  PHE  54           2HE      PHE  54   1.284 -18.623  -0.068
  398    HZ   PHE  54           HZ       PHE  54   2.589 -17.859  -2.008
  399    H    CYS  55           H        CYS  55   0.859 -11.369   1.273
  400    HA   CYS  55           HA       CYS  55   0.656 -10.618  -1.516
  401    HB2  CYS  55           2HB      CYS  55   2.090  -9.415   0.843
  402    HB3  CYS  55           1HB      CYS  55   2.212  -8.758  -0.787
  403    H    ASP  56           H        ASP  56   2.031 -11.282  -2.964
  404    HA   ASP  56           HA       ASP  56   4.002 -13.090  -2.033
  405    HB2  ASP  56           2HB      ASP  56   4.173 -13.900  -4.277
  406    HB3  ASP  56           1HB      ASP  56   2.481 -13.460  -4.064
  407    H    MET  57           H        MET  57   5.970 -12.969  -4.132
  408    HA   MET  57           HA       MET  57   7.845 -11.321  -3.093
  409    HB2  MET  57           2HB      MET  57   8.265 -13.444  -4.066
  410    HB3  MET  57           1HB      MET  57   7.518 -12.956  -5.578
  411    HG2  MET  57           2HG      MET  57   9.825 -12.982  -5.803
  412    HG3  MET  57           1HG      MET  57   9.146 -11.332  -5.862
  413    HE1  MET  57           3HE      MET  57  12.741 -10.814  -4.181
  414    HE2  MET  57           1HE      MET  57  11.707 -10.364  -5.537
  415    HE3  MET  57           2HE      MET  57  12.332 -12.009  -5.412
  416    H    ASN  58           H        ASN  58   5.606 -11.041  -5.841
  417    HA   ASN  58           HA       ASN  58   6.889  -8.616  -6.737
  418    HB2  ASN  58           2HB      ASN  58   5.807 -10.034  -8.403
  419    HB3  ASN  58           1HB      ASN  58   4.273  -9.909  -7.547
  420   HD21  ASN  58          1HD2      ASN  58   6.542  -8.271  -9.598
  421   HD22  ASN  58          2HD2      ASN  58   5.494  -6.961 -10.025
  422    H    GLY  59           H        GLY  59   3.717  -9.432  -5.367
  423    HA2  GLY  59           2HA      GLY  59   3.004  -7.873  -3.500
  424    HA3  GLY  59           1HA      GLY  59   3.400  -6.591  -4.662
  425    H    LYS  60           H        LYS  60   1.963  -9.710  -5.102
  426    HA   LYS  60           HA       LYS  60  -0.730  -8.645  -5.712
  427    HB2  LYS  60           2HB      LYS  60   0.755  -9.560  -7.689
  428    HB3  LYS  60           1HB      LYS  60   0.728 -11.036  -6.730
  429    HG2  LYS  60           2HG      LYS  60  -1.775 -10.999  -6.937
  430    HG3  LYS  60           1HG      LYS  60  -1.564  -9.730  -8.150
  431    HD2  LYS  60           2HD      LYS  60  -1.647 -11.687  -9.426
  432    HD3  LYS  60           1HD      LYS  60   0.078 -11.376  -9.271
  433    HE2  LYS  60           2HE      LYS  60  -1.544 -13.376  -7.661
  434    HE3  LYS  60           1HE      LYS  60  -0.409 -13.756  -8.942
  435    HZ1  LYS  60           3HZ      LYS  60   0.437 -14.148  -6.692
  436    HZ2  LYS  60           1HZ      LYS  60   0.285 -12.570  -6.294
  437    HZ3  LYS  60           2HZ      LYS  60   1.438 -13.022  -7.438
  438    H    CYS  61           H        CYS  61  -2.116 -10.406  -5.327
  439    HA   CYS  61           HA       CYS  61  -1.363 -11.488  -2.746
  440    HB2  CYS  61           2HB      CYS  61  -3.304  -9.932  -3.441
  441    HB3  CYS  61           1HB      CYS  61  -4.075 -11.450  -3.909
  442    H    GLU  62           H        GLU  62  -1.348 -13.660  -2.532
  443    HA   GLU  62           HA       GLU  62  -0.670 -15.672  -3.145
  444    HB2  GLU  62           2HB      GLU  62  -3.253 -15.194  -4.277
  445    HB3  GLU  62           1HB      GLU  62  -2.612 -16.865  -4.479
  446    HG2  GLU  62           2HG      GLU  62  -3.450 -15.285  -2.027
  447    HG3  GLU  62           1HG      GLU  62  -4.132 -16.813  -2.590
  Start of MODEL    8
    1    H    PHE   1           1HT      PHE   1   4.144   2.421   8.088
    2    HA   PHE   1           HA       PHE   1   5.452   2.157   6.248
    3    HB2  PHE   1           2HB      PHE   1   4.325   1.536   3.981
    4    HB3  PHE   1           1HB      PHE   1   4.719   0.242   5.098
    5    HD1  PHE   1           1HD      PHE   1   2.901  -0.958   6.247
    6    HD2  PHE   1           2HD      PHE   1   2.092   2.077   3.388
    7    HE1  PHE   1           1HE      PHE   1   0.599  -1.797   6.018
    8    HE2  PHE   1           2HE      PHE   1  -0.214   1.248   3.151
    9    HZ   PHE   1           HZ       PHE   1  -0.962  -0.692   4.469
   10    H    CYS   2           H        CYS   2   2.248   3.259   5.131
   11    HA   CYS   2           HA       CYS   2   3.420   5.340   3.736
   12    HB2  CYS   2           2HB      CYS   2   1.221   4.445   3.146
   13    HB3  CYS   2           1HB      CYS   2   0.538   5.148   4.610
   14    H    GLU   3           H        GLU   3   2.602   5.214   7.050
   15    HA   GLU   3           HA       GLU   3   2.232   7.864   7.805
   16    HB2  GLU   3           2HB      GLU   3   4.078   6.095   9.390
   17    HB3  GLU   3           1HB      GLU   3   2.926   7.276   9.976
   18    HG2  GLU   3           2HG      GLU   3   2.020   5.219  10.570
   19    HG3  GLU   3           1HG      GLU   3   1.151   5.692   9.093
   20    H    ARG   4           H        ARG   4   5.135   6.124   7.094
   21    HA   ARG   4           HA       ARG   4   6.615   8.516   7.501
   22    HB2  ARG   4           2HB      ARG   4   7.451   6.581   8.695
   23    HB3  ARG   4           1HB      ARG   4   7.623   5.690   7.201
   24    HG2  ARG   4           2HG      ARG   4   9.792   6.422   8.090
   25    HG3  ARG   4           1HG      ARG   4   9.443   7.127   6.513
   26    HD2  ARG   4           2HD      ARG   4   8.893   8.630   9.079
   27    HD3  ARG   4           1HD      ARG   4  10.476   8.675   8.302
   28    HE   ARG   4           HE       ARG   4   8.859   9.275   6.289
   29   HH11  ARG   4          1HH1      ARG   4   9.009  10.721   9.529
   30   HH12  ARG   4          2HH1      ARG   4   8.420  12.237   9.011
   31   HH21  ARG   4          1HH2      ARG   4   8.077  11.326   5.607
   32   HH22  ARG   4          2HH2      ARG   4   7.821  12.579   6.722
   33    H    GLU   5           H        GLU   5   5.257   6.818   4.982
   34    HA   GLU   5           HA       GLU   5   7.306   7.529   3.081
   35    HB2  GLU   5           2HB      GLU   5   4.743   5.996   2.588
   36    HB3  GLU   5           1HB      GLU   5   6.105   6.116   1.484
   37    HG2  GLU   5           2HG      GLU   5   7.570   4.976   3.120
   38    HG3  GLU   5           1HG      GLU   5   6.227   4.836   4.235
   39    H    GLN   6           H        GLN   6   3.804   8.407   3.583
   40    HA   GLN   6           HA       GLN   6   4.304  10.876   2.001
   41    HB2  GLN   6           2HB      GLN   6   1.831   9.261   2.425
   42    HB3  GLN   6           1HB      GLN   6   1.860  10.870   1.739
   43    HG2  GLN   6           2HG      GLN   6   3.276   8.549   0.681
   44    HG3  GLN   6           1HG      GLN   6   1.583   9.031   0.260
   45   HE21  GLN   6          1HE2      GLN   6   2.006   9.609  -1.957
   46   HE22  GLN   6          2HE2      GLN   6   3.022  10.926  -2.384
   47    H    GLN   7           H        GLN   7   3.829   9.572   4.954
   48    HA   GLN   7           HA       GLN   7   3.104  10.010   6.795
   49    HB2  GLN   7           2HB      GLN   7   3.038  12.879   5.907
   50    HB3  GLN   7           1HB      GLN   7   2.726  12.394   7.574
   51    HG2  GLN   7           2HG      GLN   7   4.881  11.341   7.699
   52    HG3  GLN   7           1HG      GLN   7   5.175  11.730   6.013
   53   HE21  GLN   7          1HE2      GLN   7   3.597  13.946   8.180
   54   HE22  GLN   7          2HE2      GLN   7   4.877  15.102   8.286
   55    H    LEU   8           H        LEU   8   1.187   9.280   4.817
   56    HA   LEU   8           HA       LEU   8  -1.345  10.234   5.936
   57    HB2  LEU   8           2HB      LEU   8  -0.688   8.174   3.836
   58    HB3  LEU   8           1HB      LEU   8  -2.257   8.235   4.579
   59    HG   LEU   8           HG       LEU   8  -2.627   9.218   2.608
   60   HD11  LEU   8          1HD1      LEU   8  -2.024  11.543   4.332
   61   HD12  LEU   8          2HD1      LEU   8  -3.487  10.551   4.212
   62   HD13  LEU   8          3HD1      LEU   8  -2.993  11.554   2.841
   63   HD21  LEU   8          3HD2      LEU   8  -1.157  10.789   1.424
   64   HD22  LEU   8          1HD2      LEU   8  -0.408   9.219   1.715
   65   HD23  LEU   8          2HD2      LEU   8   0.033  10.602   2.718
   66    H    GLU   9           H        GLU   9  -2.743   8.429   6.479
   67    HA   GLU   9           HA       GLU   9  -1.492   6.599   8.353
   68    HB2  GLU   9           2HB      GLU   9  -3.823   7.728   8.583
   69    HB3  GLU   9           1HB      GLU   9  -4.252   6.586   7.303
   70    HG2  GLU   9           2HG      GLU   9  -3.771   4.720   8.746
   71    HG3  GLU   9           1HG      GLU   9  -3.362   5.836  10.059
   72    H    SER  10           H        SER  10  -1.561   4.315   7.891
   73    HA   SER  10           HA       SER  10  -1.309   3.715   5.130
   74    HB2  SER  10           2HB      SER  10  -0.511   1.680   5.983
   75    HB3  SER  10           1HB      SER  10   0.072   3.121   6.929
   76    HG   SER  10           HG       SER  10  -2.184   2.140   8.000
   77    H    CYS  11           H        CYS  11  -2.530   2.064   4.103
   78    HA   CYS  11           HA       CYS  11  -4.710   0.878   5.520
   79    HB2  CYS  11           2HB      CYS  11  -6.528   1.956   4.465
   80    HB3  CYS  11           1HB      CYS  11  -5.375   3.275   4.463
   81    H    ALA  12           H        ALA  12  -5.812  -0.690   3.941
   82    HA   ALA  12           HA       ALA  12  -3.900  -1.502   1.890
   83    HB1  ALA  12           1HB      ALA  12  -4.599  -3.827   2.333
   84    HB2  ALA  12           2HB      ALA  12  -5.629  -3.262   3.647
   85    HB3  ALA  12           3HB      ALA  12  -3.878  -3.092   3.766
   86    H    CYS  13           H        CYS  13  -4.764  -1.326  -0.070
   87    HA   CYS  13           HA       CYS  13  -7.387  -0.536  -0.542
   88    HB2  CYS  13           2HB      CYS  13  -5.343  -1.795  -2.384
   89    HB3  CYS  13           1HB      CYS  13  -6.816  -1.020  -2.905
   90    H    ASN  14           H        ASN  14  -9.218  -1.477  -0.832
   91    HA   ASN  14           HA       ASN  14  -9.754  -4.050   0.084
   92    HB2  ASN  14           2HB      ASN  14 -11.452  -2.368  -1.758
   93    HB3  ASN  14           1HB      ASN  14 -12.019  -3.707  -0.769
   94   HD21  ASN  14          1HD2      ASN  14 -12.264  -3.394   1.454
   95   HD22  ASN  14          2HD2      ASN  14 -12.219  -1.808   2.150
   96    H    GLU  15           H        GLU  15  -8.879  -2.964  -3.041
   97    HA   GLU  15           HA       GLU  15  -9.870  -5.119  -4.409
   98    HB2  GLU  15           2HB      GLU  15  -9.418  -2.845  -5.382
   99    HB3  GLU  15           1HB      GLU  15  -7.704  -3.179  -5.216
  100    HG2  GLU  15           2HG      GLU  15  -9.505  -4.838  -6.957
  101    HG3  GLU  15           1HG      GLU  15  -8.667  -3.396  -7.530
  102    H    THR  16           H        THR  16  -8.657  -7.037  -5.023
  103    HA   THR  16           HA       THR  16  -6.963  -8.116  -3.124
  104    HB   THR  16           HB       THR  16  -7.406  -8.950  -5.982
  105    HG1  THR  16           1HG      THR  16  -8.901  -9.020  -3.759
  106   HG21  THR  16          3HG2      THR  16  -6.241 -10.588  -3.676
  107   HG22  THR  16          1HG2      THR  16  -5.315  -9.890  -5.012
  108   HG23  THR  16          2HG2      THR  16  -6.525 -11.140  -5.323
  109    H    ASP  17           H        ASP  17  -6.074  -6.874  -6.343
  110    HA   ASP  17           HA       ASP  17  -3.425  -7.756  -5.940
  111    HB2  ASP  17           2HB      ASP  17  -4.602  -7.413  -8.160
  112    HB3  ASP  17           1HB      ASP  17  -4.309  -5.690  -7.864
  113    H    ASN  18           H        ASN  18  -5.191  -4.702  -5.632
  114    HA   ASN  18           HA       ASN  18  -2.856  -3.193  -5.163
  115    HB2  ASN  18           2HB      ASN  18  -5.756  -2.502  -5.025
  116    HB3  ASN  18           1HB      ASN  18  -4.553  -1.408  -4.364
  117   HD21  ASN  18          1HD2      ASN  18  -5.673  -2.975  -7.311
  118   HD22  ASN  18          2HD2      ASN  18  -4.962  -1.835  -8.389
  119    H    SER  19           H        SER  19  -4.485  -5.244  -3.252
  120    HA   SER  19           HA       SER  19  -3.809  -3.821  -0.845
  121    HB2  SER  19           2HB      SER  19  -4.453  -5.893   0.453
  122    HB3  SER  19           1HB      SER  19  -5.708  -5.311  -0.639
  123    HG   SER  19           HG       SER  19  -4.473  -7.020  -2.096
  124    H    CYS  20           H        CYS  20  -1.911  -5.209  -3.034
  125    HA   CYS  20           HA       CYS  20   0.096  -5.933  -1.030
  126    HB2  CYS  20           2HB      CYS  20  -0.555  -7.566  -2.996
  127    HB3  CYS  20           1HB      CYS  20   0.433  -6.459  -3.961
  128    H    LYS  21           H        LYS  21  -0.871  -3.190  -2.325
  129    HA   LYS  21           HA       LYS  21   1.848  -2.105  -2.558
  130    HB2  LYS  21           2HB      LYS  21  -0.594  -1.572  -4.156
  131    HB3  LYS  21           1HB      LYS  21   0.755  -0.422  -4.099
  132    HG2  LYS  21           2HG      LYS  21   1.430  -1.504  -6.008
  133    HG3  LYS  21           1HG      LYS  21   1.985  -2.731  -4.872
  134    HD2  LYS  21           2HD      LYS  21   0.773  -3.885  -6.541
  135    HD3  LYS  21           1HD      LYS  21  -0.281  -3.816  -5.127
  136    HE2  LYS  21           2HE      LYS  21  -1.415  -1.845  -6.111
  137    HE3  LYS  21           1HE      LYS  21  -0.395  -2.004  -7.534
  138    HZ1  LYS  21           3HZ      LYS  21  -2.204  -4.102  -6.544
  139    HZ2  LYS  21           1HZ      LYS  21  -1.429  -4.179  -7.999
  140    HZ3  LYS  21           2HZ      LYS  21  -2.649  -3.047  -7.762
  141    H    VAL  22           H        VAL  22   2.059  -0.142  -2.247
  142    HA   VAL  22           HA       VAL  22   1.197   0.239   0.395
  143    HB   VAL  22           HB       VAL  22   2.868   2.047  -1.374
  144   HG11  VAL  22          1HG1      VAL  22   1.803   3.244   0.374
  145   HG12  VAL  22          2HG1      VAL  22   3.528   3.037   0.791
  146   HG13  VAL  22          3HG1      VAL  22   2.275   2.027   1.550
  147   HG21  VAL  22          3HG2      VAL  22   3.665   0.131   0.801
  148   HG22  VAL  22          1HG2      VAL  22   4.732   0.988  -0.313
  149   HG23  VAL  22          2HG2      VAL  22   3.637  -0.323  -0.893
  150    H    CYS  23           H        CYS  23  -0.680   0.691   0.599
  151    HA   CYS  23           HA       CYS  23  -1.823   3.010  -0.811
  152    HB2  CYS  23           2HB      CYS  23  -3.420   1.167   0.962
  153    HB3  CYS  23           1HB      CYS  23  -3.955   2.385  -0.207
  154    H    CYS  24           H        CYS  24  -3.036   4.586   0.353
  155    HA   CYS  24           HA       CYS  24  -2.040   5.073   3.028
  156    HB2  CYS  24           2HB      CYS  24  -2.128   6.916   0.610
  157    HB3  CYS  24           1HB      CYS  24  -1.715   7.488   2.207
  158    H    ARG  25           H        ARG  25  -3.569   6.796   4.012
  159    HA   ARG  25           HA       ARG  25  -6.236   6.177   3.007
  160    HB2  ARG  25           2HB      ARG  25  -5.288   5.098   5.201
  161    HB3  ARG  25           1HB      ARG  25  -5.528   6.707   5.845
  162    HG2  ARG  25           2HG      ARG  25  -7.797   5.533   4.448
  163    HG3  ARG  25           1HG      ARG  25  -7.382   4.794   6.002
  164    HD2  ARG  25           2HD      ARG  25  -7.977   7.731   5.478
  165    HD3  ARG  25           1HD      ARG  25  -9.074   6.554   6.212
  166    HE   ARG  25           HE       ARG  25  -7.047   6.374   7.875
  167   HH11  ARG  25          1HH1      ARG  25  -8.420   9.325   6.492
  168   HH12  ARG  25          2HH1      ARG  25  -8.269  10.251   7.918
  169   HH21  ARG  25          1HH2      ARG  25  -6.765   7.595   9.794
  170   HH22  ARG  25          2HH2      ARG  25  -7.257   9.211   9.913
  171    H    ASP  26           H        ASP  26  -7.430   7.925   2.565
  172    HA   ASP  26           HA       ASP  26  -6.106  10.450   2.935
  173    HB2  ASP  26           2HB      ASP  26  -7.121  11.156   0.978
  174    HB3  ASP  26           1HB      ASP  26  -7.059   9.428   0.667
  175    H    LEU  27           H        LEU  27  -7.963  12.051   2.812
  176    HA   LEU  27           HA       LEU  27  -8.729  12.378   5.426
  177    HB2  LEU  27           2HB      LEU  27  -9.927  13.988   3.206
  178    HB3  LEU  27           1HB      LEU  27  -9.649  14.495   4.858
  179    HG   LEU  27           HG       LEU  27  -7.121  14.007   4.093
  180   HD11  LEU  27          1HD1      LEU  27  -6.725  14.778   1.831
  181   HD12  LEU  27          2HD1      LEU  27  -8.458  14.947   1.577
  182   HD13  LEU  27          3HD1      LEU  27  -7.771  13.350   1.818
  183   HD21  LEU  27          3HD2      LEU  27  -6.901  16.429   3.701
  184   HD22  LEU  27          1HD2      LEU  27  -7.920  16.081   5.099
  185   HD23  LEU  27          2HD2      LEU  27  -8.655  16.555   3.568
  186    H    SER  28           H        SER  28 -10.492  11.142   2.690
  187    HA   SER  28           HA       SER  28 -12.976  11.439   4.046
  188    HB2  SER  28           2HB      SER  28 -12.892  12.113   1.711
  189    HB3  SER  28           1HB      SER  28 -12.310  10.523   1.243
  190    HG   SER  28           HG       SER  28 -14.420   9.933   2.445
  191    H    GLY  29           H        GLY  29 -10.505   9.437   4.178
  192    HA2  GLY  29           2HA      GLY  29 -10.227   7.542   5.062
  193    HA3  GLY  29           1HA      GLY  29 -11.971   7.278   5.269
  194    H    ARG  30           H        ARG  30 -10.328   7.938   2.248
  195    HA   ARG  30           HA       ARG  30 -11.301   5.433   1.113
  196    HB2  ARG  30           2HB      ARG  30  -9.820   7.718  -0.174
  197    HB3  ARG  30           1HB      ARG  30 -10.661   6.416  -0.991
  198    HG2  ARG  30           2HG      ARG  30 -12.773   7.294  -0.402
  199    HG3  ARG  30           1HG      ARG  30 -12.054   8.418   0.760
  200    HD2  ARG  30           2HD      ARG  30 -10.863   9.525  -1.080
  201    HD3  ARG  30           1HD      ARG  30 -11.640   8.439  -2.223
  202    HE   ARG  30           HE       ARG  30 -13.766   9.424  -1.436
  203   HH11  ARG  30          1HH1      ARG  30 -10.808  11.309  -0.799
  204   HH12  ARG  30          2HH1      ARG  30 -11.465  12.801  -1.198
  205   HH21  ARG  30          1HH2      ARG  30 -14.747  11.545  -1.919
  206   HH22  ARG  30          2HH2      ARG  30 -13.797  12.957  -1.831
  207    H    CYS  31           H        CYS  31  -9.870   3.975   0.176
  208    HA   CYS  31           HA       CYS  31  -7.124   4.171   0.990
  209    HB2  CYS  31           2HB      CYS  31  -8.832   1.983  -0.051
  210    HB3  CYS  31           1HB      CYS  31  -7.105   1.903  -0.404
  211    H    VAL  32           H        VAL  32  -5.736   5.166  -0.149
  212    HA   VAL  32           HA       VAL  32  -6.130   5.146  -2.923
  213    HB   VAL  32           HB       VAL  32  -6.638   7.383  -2.293
  214   HG11  VAL  32          1HG1      VAL  32  -4.909   8.793  -1.026
  215   HG12  VAL  32          2HG1      VAL  32  -4.253   7.228  -0.476
  216   HG13  VAL  32          3HG1      VAL  32  -5.918   7.691  -0.118
  217   HG21  VAL  32          3HG2      VAL  32  -3.776   7.388  -3.239
  218   HG22  VAL  32          1HG2      VAL  32  -4.909   8.732  -3.389
  219   HG23  VAL  32          2HG2      VAL  32  -5.194   7.219  -4.265
  220    HA   PRO  33           HA       PRO  33  -2.129   3.073  -2.709
  221    HB2  PRO  33           2HB      PRO  33  -2.059   3.795  -5.588
  222    HB3  PRO  33           1HB      PRO  33  -1.905   2.194  -4.835
  223    HG2  PRO  33           2HG      PRO  33  -4.104   2.840  -6.140
  224    HG3  PRO  33           1HG      PRO  33  -4.165   1.886  -4.644
  225    HD2  PRO  33           2HD      PRO  33  -4.811   4.776  -5.037
  226    HD3  PRO  33           1HD      PRO  33  -5.591   3.550  -4.011
  227    H    TYR  34           H        TYR  34  -0.188   3.972  -2.227
  228    HA   TYR  34           HA       TYR  34   0.183   6.729  -2.519
  229    HB2  TYR  34           2HB      TYR  34   1.423   6.225  -0.826
  230    HB3  TYR  34           1HB      TYR  34   1.735   4.552  -1.317
  231    HD1  TYR  34           1HD      TYR  34   2.876   8.155  -2.391
  232    HD2  TYR  34           2HD      TYR  34   4.039   4.065  -1.580
  233    HE1  TYR  34           1HE      TYR  34   4.951   8.696  -2.763
  234    HE2  TYR  34           2HE      TYR  34   6.340   4.757  -2.031
  235    HH   TYR  34           HH       TYR  34   7.285   7.989  -2.298
  236    H    VAL  35           H        VAL  35   0.829   7.951  -4.010
  237    HA   VAL  35           HA       VAL  35   2.910   7.181  -5.737
  238    HB   VAL  35           HB       VAL  35   1.163   8.949  -6.951
  239   HG11  VAL  35          1HG1      VAL  35   2.072   6.260  -7.887
  240   HG12  VAL  35          2HG1      VAL  35   2.873   7.824  -8.038
  241   HG13  VAL  35          3HG1      VAL  35   1.375   7.524  -8.926
  242   HG21  VAL  35          3HG2      VAL  35  -0.795   7.590  -7.628
  243   HG22  VAL  35          1HG2      VAL  35  -0.709   7.850  -5.882
  244   HG23  VAL  35          2HG2      VAL  35  -0.230   6.293  -6.563
  245    H    ASP  36           H        ASP  36   4.068   8.965  -5.982
  246    HA   ASP  36           HA       ASP  36   3.154  11.573  -4.810
  247    HB2  ASP  36           2HB      ASP  36   5.309  11.766  -4.077
  248    HB3  ASP  36           1HB      ASP  36   5.042  10.023  -3.871
  249    H    ALA  37           H        ALA  37   4.958  12.866  -5.697
  250    HA   ALA  37           HA       ALA  37   3.195  13.521  -7.608
  251    HB1  ALA  37           1HB      ALA  37   4.067  14.847  -6.017
  252    HB2  ALA  37           2HB      ALA  37   4.287  15.667  -7.606
  253    HB3  ALA  37           3HB      ALA  37   5.675  14.906  -6.738
  254    H    GLU  38           H        GLU  38   6.357  12.102  -7.436
  255    HA   GLU  38           HA       GLU  38   7.190  12.301  -9.994
  256    HB2  GLU  38           2HB      GLU  38   7.865  10.903  -7.527
  257    HB3  GLU  38           1HB      GLU  38   8.445  10.172  -9.011
  258    HG2  GLU  38           2HG      GLU  38   8.802  13.022  -8.382
  259    HG3  GLU  38           1HG      GLU  38   9.974  11.808  -7.832
  260    H    GLN  39           H        GLN  39   4.531  10.569  -8.573
  261    HA   GLN  39           HA       GLN  39   3.214   9.140  -9.209
  262    HB2  GLN  39           2HB      GLN  39   4.781   9.664 -11.551
  263    HB3  GLN  39           1HB      GLN  39   3.474   8.437 -11.728
  264    HG2  GLN  39           2HG      GLN  39   1.884  10.188 -11.067
  265    HG3  GLN  39           1HG      GLN  39   3.222  11.297 -10.773
  266   HE21  GLN  39          1HE2      GLN  39   4.241  12.239 -12.495
  267   HE22  GLN  39          2HE2      GLN  39   3.584  12.218 -14.100
  268    H    LYS  40           H        LYS  40   5.637   8.424  -7.792
  269    HA   LYS  40           HA       LYS  40   6.278   5.821  -8.849
  270    HB2  LYS  40           2HB      LYS  40   7.252   7.306  -6.474
  271    HB3  LYS  40           1HB      LYS  40   7.937   5.788  -7.087
  272    HG2  LYS  40           2HG      LYS  40   7.645   8.296  -8.423
  273    HG3  LYS  40           1HG      LYS  40   9.200   7.811  -7.635
  274    HD2  LYS  40           2HD      LYS  40   9.119   5.819  -9.289
  275    HD3  LYS  40           1HD      LYS  40   7.815   6.667 -10.113
  276    HE2  LYS  40           2HE      LYS  40  10.666   7.639  -9.796
  277    HE3  LYS  40           1HE      LYS  40   9.951   6.994 -11.265
  278    HZ1  LYS  40           3HZ      LYS  40   8.295   9.082 -10.849
  279    HZ2  LYS  40           1HZ      LYS  40   9.808   9.307 -11.584
  280    HZ3  LYS  40           2HZ      LYS  40   9.688   9.626 -10.050
  281    H    ASN  41           H        ASN  41   6.019   4.171  -7.658
  282    HA   ASN  41           HA       ASN  41   4.060   4.341  -5.527
  283    HB2  ASN  41           2HB      ASN  41   3.036   3.851  -7.735
  284    HB3  ASN  41           1HB      ASN  41   4.190   2.515  -7.799
  285   HD21  ASN  41          1HD2      ASN  41   1.422   3.661  -5.899
  286   HD22  ASN  41          2HD2      ASN  41   0.801   2.094  -5.522
  287    H    LEU  42           H        LEU  42   3.918   1.725  -4.871
  288    HA   LEU  42           HA       LEU  42   6.537   0.444  -4.694
  289    HB2  LEU  42           2HB      LEU  42   5.035   1.335  -2.280
  290    HB3  LEU  42           1HB      LEU  42   6.414   0.274  -2.278
  291    HG   LEU  42           HG       LEU  42   6.453   3.155  -3.074
  292   HD11  LEU  42          1HD1      LEU  42   5.756   2.714  -0.778
  293   HD12  LEU  42          2HD1      LEU  42   7.368   3.467  -0.797
  294   HD13  LEU  42          3HD1      LEU  42   7.190   1.732  -0.507
  295   HD21  LEU  42          3HD2      LEU  42   8.290   1.814  -4.030
  296   HD22  LEU  42          1HD2      LEU  42   8.668   1.192  -2.423
  297   HD23  LEU  42          2HD2      LEU  42   8.889   2.904  -2.779
  298    H    PHE  43           H        PHE  43   6.297  -1.732  -4.065
  299    HA   PHE  43           HA       PHE  43   3.699  -2.681  -3.809
  300    HB2  PHE  43           2HB      PHE  43   6.419  -3.870  -3.939
  301    HB3  PHE  43           1HB      PHE  43   4.960  -4.887  -3.859
  302    HD1  PHE  43           1HD      PHE  43   3.222  -4.259  -5.802
  303    HD2  PHE  43           2HD      PHE  43   7.399  -3.490  -5.938
  304    HE1  PHE  43           1HE      PHE  43   3.119  -4.167  -8.257
  305    HE2  PHE  43           2HE      PHE  43   7.309  -3.393  -8.391
  306    HZ   PHE  43           HZ       PHE  43   5.165  -3.731  -9.557
  307    H    LEU  44           H        LEU  44   3.241  -3.972  -1.761
  308    HA   LEU  44           HA       LEU  44   4.418  -2.829   0.361
  309    HB2  LEU  44           2HB      LEU  44   2.400  -5.005   0.130
  310    HB3  LEU  44           1HB      LEU  44   3.121  -4.679   1.687
  311    HG   LEU  44           HG       LEU  44   1.580  -2.653   0.052
  312   HD11  LEU  44          1HD1      LEU  44  -0.172  -2.975   1.725
  313   HD12  LEU  44          2HD1      LEU  44   0.778  -4.253   2.484
  314   HD13  LEU  44          3HD1      LEU  44   0.148  -4.472   0.851
  315   HD21  LEU  44          3HD2      LEU  44   1.629  -1.339   2.101
  316   HD22  LEU  44          1HD2      LEU  44   3.269  -1.677   1.553
  317   HD23  LEU  44          2HD2      LEU  44   2.585  -2.586   2.896
  318    H    ARG  45           H        ARG  45   5.074  -4.567   2.250
  319    HA   ARG  45           HA       ARG  45   7.330  -5.800   1.108
  320    HB2  ARG  45           2HB      ARG  45   6.387  -5.128   3.790
  321    HB3  ARG  45           1HB      ARG  45   7.836  -6.178   3.547
  322    HG2  ARG  45           2HG      ARG  45   8.584  -3.862   3.999
  323    HG3  ARG  45           1HG      ARG  45   8.864  -4.208   2.300
  324    HD2  ARG  45           2HD      ARG  45   6.813  -2.941   1.715
  325    HD3  ARG  45           1HD      ARG  45   6.524  -2.619   3.421
  326    HE   ARG  45           HE       ARG  45   9.093  -1.726   2.707
  327   HH11  ARG  45          1HH1      ARG  45   5.676  -0.682   2.094
  328   HH12  ARG  45          2HH1      ARG  45   6.147   0.965   1.994
  329   HH21  ARG  45          1HH2      ARG  45   9.544   0.660   2.487
  330   HH22  ARG  45          2HH2      ARG  45   8.179   1.655   2.183
  331    H    LYS  46           H        LYS  46   7.876  -7.945   1.781
  332    HA   LYS  46           HA       LYS  46   5.709  -9.622   1.038
  333    HB2  LYS  46           2HB      LYS  46   7.338 -11.540   1.176
  334    HB3  LYS  46           1HB      LYS  46   7.755 -10.243   0.074
  335    HG2  LYS  46           2HG      LYS  46   9.403  -9.398   1.592
  336    HG3  LYS  46           1HG      LYS  46   8.882 -10.515   2.846
  337    HD2  LYS  46           2HD      LYS  46  11.009 -11.196   1.715
  338    HD3  LYS  46           1HD      LYS  46   9.739 -12.405   1.609
  339    HE2  LYS  46           2HE      LYS  46   9.973 -10.472  -0.647
  340    HE3  LYS  46           1HE      LYS  46  11.248 -11.673  -0.487
  341    HZ1  LYS  46           3HZ      LYS  46   8.339 -12.401  -0.610
  342    HZ2  LYS  46           1HZ      LYS  46   9.625 -13.434  -0.722
  343    HZ3  LYS  46           2HZ      LYS  46   9.229 -12.327  -1.942
  344    H    GLY  47           H        GLY  47   4.416 -10.855   2.018
  345    HA2  GLY  47           2HA      GLY  47   3.675 -12.441   3.510
  346    HA3  GLY  47           1HA      GLY  47   5.071 -12.131   4.556
  347    H    LYS  48           H        LYS  48   3.188  -9.499   3.373
  348    HA   LYS  48           HA       LYS  48   2.073  -9.097   6.027
  349    HB2  LYS  48           2HB      LYS  48   2.634  -7.466   3.635
  350    HB3  LYS  48           1HB      LYS  48   1.285  -6.932   4.632
  351    HG2  LYS  48           2HG      LYS  48   3.349  -5.678   5.150
  352    HG3  LYS  48           1HG      LYS  48   2.834  -6.619   6.534
  353    HD2  LYS  48           2HD      LYS  48   4.921  -7.708   4.656
  354    HD3  LYS  48           1HD      LYS  48   5.369  -6.512   5.869
  355    HE2  LYS  48           2HE      LYS  48   4.621  -7.985   7.648
  356    HE3  LYS  48           1HE      LYS  48   3.996  -9.137   6.474
  357    HZ1  LYS  48           3HZ      LYS  48   6.863  -8.450   6.879
  358    HZ2  LYS  48           1HZ      LYS  48   6.253  -9.484   5.680
  359    HZ3  LYS  48           2HZ      LYS  48   6.076  -9.897   7.296
  360    HA   PRO  49           HA       PRO  49  -1.694 -10.926   4.664
  361    HB2  PRO  49           2HB      PRO  49  -3.381  -9.786   6.507
  362    HB3  PRO  49           1HB      PRO  49  -2.316 -11.158   6.880
  363    HG2  PRO  49           2HG      PRO  49  -1.927  -8.279   7.476
  364    HG3  PRO  49           1HG      PRO  49  -1.551  -9.700   8.470
  365    HD2  PRO  49           2HD      PRO  49   0.352  -8.376   7.116
  366    HD3  PRO  49           1HD      PRO  49   0.416 -10.132   7.373
  367    H    CYS  50           H        CYS  50  -2.957 -10.376   3.044
  368    HA   CYS  50           HA       CYS  50  -3.883  -7.661   2.835
  369    HB2  CYS  50           2HB      CYS  50  -3.512  -7.810   0.408
  370    HB3  CYS  50           1HB      CYS  50  -2.014  -8.034   1.306
  371    H    THR  51           H        THR  51  -5.366  -8.429   0.402
  372    HA   THR  51           HA       THR  51  -7.824  -9.030   1.485
  373    HB   THR  51           HB       THR  51  -8.329  -9.678  -0.959
  374    HG1  THR  51           1HG      THR  51  -5.866  -8.424  -1.477
  375   HG21  THR  51          3HG2      THR  51  -8.733  -7.465   0.089
  376   HG22  THR  51          1HG2      THR  51  -8.230  -7.355  -1.614
  377   HG23  THR  51          2HG2      THR  51  -7.054  -7.055  -0.331
  378    H    VAL  52           H        VAL  52  -6.179 -11.086  -0.725
  379    HA   VAL  52           HA       VAL  52  -7.769 -13.344   0.138
  380    HB   VAL  52           HB       VAL  52  -6.885 -14.573  -1.786
  381   HG11  VAL  52          1HG1      VAL  52  -7.878 -11.781  -2.360
  382   HG12  VAL  52          2HG1      VAL  52  -8.876 -13.207  -2.061
  383   HG13  VAL  52          3HG1      VAL  52  -7.889 -13.105  -3.523
  384   HG21  VAL  52          3HG2      VAL  52  -5.435 -13.531  -3.406
  385   HG22  VAL  52          1HG2      VAL  52  -4.615 -13.485  -1.847
  386   HG23  VAL  52          2HG2      VAL  52  -5.412 -12.035  -2.498
  387    H    GLY  53           H        GLY  53  -4.479 -12.427   0.525
  388    HA2  GLY  53           2HA      GLY  53  -4.058 -14.530   2.340
  389    HA3  GLY  53           1HA      GLY  53  -3.240 -14.786   0.789
  390    H    PHE  54           H        PHE  54  -1.223 -14.161   0.781
  391    HA   PHE  54           HA       PHE  54  -0.552 -11.872   2.484
  392    HB2  PHE  54           2HB      PHE  54   1.212 -14.209   1.770
  393    HB3  PHE  54           1HB      PHE  54   1.762 -12.744   2.596
  394    HD1  PHE  54           1HD      PHE  54   0.966 -12.239   4.864
  395    HD2  PHE  54           2HD      PHE  54   0.012 -15.910   2.937
  396    HE1  PHE  54           1HE      PHE  54   0.330 -13.205   7.033
  397    HE2  PHE  54           2HE      PHE  54  -0.628 -16.885   5.103
  398    HZ   PHE  54           HZ       PHE  54  -0.470 -15.532   7.156
  399    H    CYS  55           H        CYS  55   0.853 -10.456   1.803
  400    HA   CYS  55           HA       CYS  55   0.832  -9.904  -1.053
  401    HB2  CYS  55           2HB      CYS  55   0.260  -8.161   0.568
  402    HB3  CYS  55           1HB      CYS  55   1.803  -8.464   1.373
  403    H    ASP  56           H        ASP  56   2.632 -10.575  -2.301
  404    HA   ASP  56           HA       ASP  56   5.122 -10.542  -0.736
  405    HB2  ASP  56           2HB      ASP  56   4.388 -12.808  -1.760
  406    HB3  ASP  56           1HB      ASP  56   4.897 -12.120  -3.302
  407    H    MET  57           H        MET  57   7.071 -10.475  -2.784
  408    HA   MET  57           HA       MET  57   7.205  -7.738  -3.186
  409    HB2  MET  57           2HB      MET  57   9.065  -9.120  -2.609
  410    HB3  MET  57           1HB      MET  57   8.759 -10.190  -3.963
  411    HG2  MET  57           2HG      MET  57   9.282  -8.543  -5.448
  412    HG3  MET  57           1HG      MET  57   9.534  -7.348  -4.149
  413    HE1  MET  57           3HE      MET  57  11.790  -7.951  -6.409
  414    HE2  MET  57           1HE      MET  57  13.249  -8.024  -5.421
  415    HE3  MET  57           2HE      MET  57  12.028  -6.793  -5.100
  416    H    ASN  58           H        ASN  58   5.770 -10.270  -4.820
  417    HA   ASN  58           HA       ASN  58   5.960  -9.598  -7.550
  418    HB2  ASN  58           2HB      ASN  58   3.660 -10.921  -6.081
  419    HB3  ASN  58           1HB      ASN  58   3.938 -10.960  -7.812
  420   HD21  ASN  58          1HD2      ASN  58   3.632 -13.177  -5.882
  421   HD22  ASN  58          2HD2      ASN  58   5.073 -14.079  -6.027
  422    H    GLY  59           H        GLY  59   4.135  -8.277  -4.862
  423    HA2  GLY  59           2HA      GLY  59   2.526  -6.566  -4.757
  424    HA3  GLY  59           1HA      GLY  59   2.831  -6.272  -6.492
  425    H    LYS  60           H        LYS  60   2.117  -9.246  -4.983
  426    HA   LYS  60           HA       LYS  60  -0.693  -9.322  -5.794
  427    HB2  LYS  60           2HB      LYS  60   1.443 -11.272  -6.488
  428    HB3  LYS  60           1HB      LYS  60  -0.244 -11.725  -6.409
  429    HG2  LYS  60           2HG      LYS  60  -0.001 -11.346  -8.700
  430    HG3  LYS  60           1HG      LYS  60  -0.601  -9.797  -8.114
  431    HD2  LYS  60           2HD      LYS  60   1.909  -9.181  -7.908
  432    HD3  LYS  60           1HD      LYS  60   2.163 -10.554  -8.985
  433    HE2  LYS  60           2HE      LYS  60   2.044  -8.548 -10.298
  434    HE3  LYS  60           1HE      LYS  60   0.594  -9.510 -10.597
  435    HZ1  LYS  60           3HZ      LYS  60   0.086  -7.097 -10.231
  436    HZ2  LYS  60           1HZ      LYS  60   0.699  -7.244  -8.672
  437    HZ3  LYS  60           2HZ      LYS  60  -0.656  -8.073  -9.108
  438    H    CYS  61           H        CYS  61  -1.627 -11.066  -5.011
  439    HA   CYS  61           HA       CYS  61  -0.758 -11.392  -2.286
  440    HB2  CYS  61           2HB      CYS  61  -3.222 -10.717  -3.622
  441    HB3  CYS  61           1HB      CYS  61  -3.402 -11.669  -2.107
  442    H    GLU  62           H        GLU  62  -0.214 -13.310  -1.899
  443    HA   GLU  62           HA       GLU  62  -0.962 -15.489  -3.608
  444    HB2  GLU  62           2HB      GLU  62   1.049 -15.563  -1.359
  445    HB3  GLU  62           1HB      GLU  62   0.999 -16.551  -2.801
  446    HG2  GLU  62           2HG      GLU  62   1.820 -13.634  -2.689
  447    HG3  GLU  62           1HG      GLU  62   2.917 -14.997  -2.758
  Start of MODEL    9
    1    H    PHE   1           1HT      PHE   1   6.997   4.850   4.300
    2    HA   PHE   1           HA       PHE   1   6.692   3.812   2.414
    3    HB2  PHE   1           2HB      PHE   1   4.759   2.104   2.178
    4    HB3  PHE   1           1HB      PHE   1   6.321   1.537   2.759
    5    HD1  PHE   1           2HD      PHE   1   6.544   1.108   5.251
    6    HD2  PHE   1           1HD      PHE   1   2.793   1.811   3.372
    7    HE1  PHE   1           2HE      PHE   1   5.399   0.059   7.157
    8    HE2  PHE   1           1HE      PHE   1   1.648   0.746   5.270
    9    HZ   PHE   1           HZ       PHE   1   2.946  -0.125   7.162
   10    H    CYS   2           H        CYS   2   3.909   4.543   4.513
   11    HA   CYS   2           HA       CYS   2   3.416   6.539   2.474
   12    HB2  CYS   2           2HB      CYS   2   1.619   4.962   2.299
   13    HB3  CYS   2           1HB      CYS   2   1.351   5.009   4.040
   14    H    GLU   3           H        GLU   3   3.519   5.737   5.813
   15    HA   GLU   3           HA       GLU   3   2.397   8.019   6.898
   16    HB2  GLU   3           2HB      GLU   3   3.809   7.388   8.952
   17    HB3  GLU   3           1HB      GLU   3   2.499   6.308   8.467
   18    HG2  GLU   3           2HG      GLU   3   5.464   5.910   7.925
   19    HG3  GLU   3           1HG      GLU   3   4.570   5.164   9.241
   20    H    ARG   4           H        ARG   4   5.849   7.327   6.882
   21    HA   ARG   4           HA       ARG   4   6.534   9.890   7.646
   22    HB2  ARG   4           2HB      ARG   4   8.149   8.201   8.037
   23    HB3  ARG   4           1HB      ARG   4   8.159   7.710   6.352
   24    HG2  ARG   4           2HG      ARG   4  10.213   8.910   7.020
   25    HG3  ARG   4           1HG      ARG   4   9.342   9.718   5.719
   26    HD2  ARG   4           2HD      ARG   4   8.331  11.233   7.425
   27    HD3  ARG   4           1HD      ARG   4   9.360  10.478   8.643
   28    HE   ARG   4           HE       ARG   4  11.212  11.464   7.705
   29   HH11  ARG   4          1HH1      ARG   4   8.313  12.290   5.772
   30   HH12  ARG   4          2HH1      ARG   4   8.965  13.660   5.058
   31   HH21  ARG   4          1HH2      ARG   4  12.159  13.421   6.681
   32   HH22  ARG   4          2HH2      ARG   4  11.228  14.331   5.591
   33    H    GLU   5           H        GLU   5   6.396   8.391   4.470
   34    HA   GLU   5           HA       GLU   5   7.454  10.270   2.904
   35    HB2  GLU   5           2HB      GLU   5   5.327   8.220   2.370
   36    HB3  GLU   5           1HB      GLU   5   6.251   9.065   1.134
   37    HG2  GLU   5           2HG      GLU   5   7.425   6.991   1.370
   38    HG3  GLU   5           1HG      GLU   5   8.285   8.205   2.355
   39    H    GLN   6           H        GLN   6   3.840   9.967   3.558
   40    HA   GLN   6           HA       GLN   6   3.752  12.700   2.626
   41    HB2  GLN   6           2HB      GLN   6   1.490  11.988   1.478
   42    HB3  GLN   6           1HB      GLN   6   3.026  11.992   0.569
   43    HG2  GLN   6           2HG      GLN   6   3.019   9.503   1.170
   44    HG3  GLN   6           1HG      GLN   6   1.351   9.755   1.689
   45   HE21  GLN   6          1HE2      GLN   6   2.932  11.395  -1.036
   46   HE22  GLN   6          2HE2      GLN   6   1.955  10.657  -2.245
   47    H    GLN   7           H        GLN   7   3.368  10.998   4.985
   48    HA   GLN   7           HA       GLN   7   2.520  11.165   6.814
   49    HB2  GLN   7           2HB      GLN   7   1.754  13.911   5.894
   50    HB3  GLN   7           1HB      GLN   7   1.463  13.400   7.554
   51    HG2  GLN   7           2HG      GLN   7   4.142  13.084   6.313
   52    HG3  GLN   7           1HG      GLN   7   3.659  14.649   6.989
   53   HE21  GLN   7          1HE2      GLN   7   4.392  11.298   7.716
   54   HE22  GLN   7          2HE2      GLN   7   4.583  11.554   9.423
   55    H    LEU   8           H        LEU   8   0.828   9.969   4.862
   56    HA   LEU   8           HA       LEU   8  -1.814  10.417   5.990
   57    HB2  LEU   8           2HB      LEU   8  -0.911   8.571   3.777
   58    HB3  LEU   8           1HB      LEU   8  -2.491   8.486   4.492
   59    HG   LEU   8           HG       LEU   8  -2.933   9.544   2.619
   60   HD11  LEU   8          1HD1      LEU   8  -3.373  11.874   2.924
   61   HD12  LEU   8          2HD1      LEU   8  -2.442  11.803   4.437
   62   HD13  LEU   8          3HD1      LEU   8  -3.862  10.760   4.206
   63   HD21  LEU   8          3HD2      LEU   8  -1.549  11.187   1.425
   64   HD22  LEU   8          1HD2      LEU   8  -0.872   9.598   1.693
   65   HD23  LEU   8          2HD2      LEU   8  -0.251  10.992   2.614
   66    H    GLU   9           H        GLU   9  -2.895   8.441   6.459
   67    HA   GLU   9           HA       GLU   9  -1.407   6.688   8.220
   68    HB2  GLU   9           2HB      GLU   9  -3.911   7.545   8.363
   69    HB3  GLU   9           1HB      GLU   9  -4.063   6.321   7.092
   70    HG2  GLU   9           2HG      GLU   9  -3.514   4.564   8.557
   71    HG3  GLU   9           1HG      GLU   9  -3.173   5.699   9.874
   72    H    SER  10           H        SER  10  -0.971   4.565   7.517
   73    HA   SER  10           HA       SER  10  -0.997   4.245   4.667
   74    HB2  SER  10           2HB      SER  10   0.156   2.772   6.946
   75    HB3  SER  10           1HB      SER  10   0.430   2.369   5.187
   76    HG   SER  10           HG       SER  10   1.964   3.820   6.622
   77    H    CYS  11           H        CYS  11  -1.988   2.432   3.748
   78    HA   CYS  11           HA       CYS  11  -3.745   0.883   5.471
   79    HB2  CYS  11           2HB      CYS  11  -5.845   1.678   4.614
   80    HB3  CYS  11           1HB      CYS  11  -4.881   3.140   4.709
   81    H    ALA  12           H        ALA  12  -5.263  -0.474   3.713
   82    HA   ALA  12           HA       ALA  12  -3.480  -1.366   1.599
   83    HB1  ALA  12           1HB      ALA  12  -4.113  -3.690   2.131
   84    HB2  ALA  12           2HB      ALA  12  -4.998  -3.097   3.543
   85    HB3  ALA  12           3HB      ALA  12  -3.246  -2.924   3.466
   86    H    CYS  13           H        CYS  13  -4.535  -1.236  -0.248
   87    HA   CYS  13           HA       CYS  13  -7.262  -0.590  -0.537
   88    HB2  CYS  13           2HB      CYS  13  -5.258  -1.717  -2.492
   89    HB3  CYS  13           1HB      CYS  13  -6.790  -0.963  -2.911
   90    H    ASN  14           H        ASN  14  -8.932  -1.672  -1.511
   91    HA   ASN  14           HA       ASN  14  -9.428  -4.051  -0.034
   92    HB2  ASN  14           2HB      ASN  14 -11.065  -2.140  -0.453
   93    HB3  ASN  14           1HB      ASN  14 -11.188  -2.706  -2.104
   94   HD21  ASN  14          1HD2      ASN  14 -11.217  -5.592  -1.253
   95   HD22  ASN  14          2HD2      ASN  14 -12.790  -5.817  -0.560
   96    H    GLU  15           H        GLU  15  -8.490  -3.146  -3.175
   97    HA   GLU  15           HA       GLU  15  -9.264  -5.385  -4.525
   98    HB2  GLU  15           2HB      GLU  15  -6.845  -3.729  -5.153
   99    HB3  GLU  15           1HB      GLU  15  -7.772  -4.682  -6.307
  100    HG2  GLU  15           2HG      GLU  15  -8.440  -2.530  -6.782
  101    HG3  GLU  15           1HG      GLU  15  -9.692  -3.027  -5.639
  102    H    THR  16           H        THR  16  -8.123  -7.393  -4.739
  103    HA   THR  16           HA       THR  16  -6.375  -8.309  -2.798
  104    HB   THR  16           HB       THR  16  -6.778  -9.240  -5.636
  105    HG1  THR  16           1HG      THR  16  -8.432 -10.262  -4.865
  106   HG21  THR  16          3HG2      THR  16  -5.550 -10.806  -3.326
  107   HG22  THR  16          1HG2      THR  16  -4.646 -10.012  -4.645
  108   HG23  THR  16          2HG2      THR  16  -5.769 -11.337  -4.996
  109    H    ASP  17           H        ASP  17  -5.635  -7.300  -6.072
  110    HA   ASP  17           HA       ASP  17  -3.010  -7.833  -5.997
  111    HB2  ASP  17           2HB      ASP  17  -4.366  -5.668  -7.545
  112    HB3  ASP  17           1HB      ASP  17  -2.937  -6.578  -8.056
  113    H    ASN  18           H        ASN  18  -4.862  -4.846  -5.335
  114    HA   ASN  18           HA       ASN  18  -2.500  -3.322  -4.922
  115    HB2  ASN  18           2HB      ASN  18  -5.379  -2.460  -4.689
  116    HB3  ASN  18           1HB      ASN  18  -4.022  -1.412  -4.337
  117   HD21  ASN  18          1HD2      ASN  18  -6.065  -1.090  -6.283
  118   HD22  ASN  18          2HD2      ASN  18  -5.285  -1.009  -7.829
  119    H    SER  19           H        SER  19  -4.213  -5.319  -2.997
  120    HA   SER  19           HA       SER  19  -3.751  -3.844  -0.565
  121    HB2  SER  19           2HB      SER  19  -4.333  -5.924   0.687
  122    HB3  SER  19           1HB      SER  19  -5.531  -5.575  -0.562
  123    HG   SER  19           HG       SER  19  -4.220  -7.175  -1.849
  124    H    CYS  20           H        CYS  20  -1.832  -5.255  -2.676
  125    HA   CYS  20           HA       CYS  20   0.371  -5.753  -0.850
  126    HB2  CYS  20           2HB      CYS  20  -0.301  -6.589  -3.607
  127    HB3  CYS  20           1HB      CYS  20   1.389  -6.622  -3.062
  128    H    LYS  21           H        LYS  21  -0.889  -3.139  -2.258
  129    HA   LYS  21           HA       LYS  21   1.730  -1.858  -2.707
  130    HB2  LYS  21           2HB      LYS  21  -0.968  -1.265  -3.818
  131    HB3  LYS  21           1HB      LYS  21   0.522  -0.387  -4.213
  132    HG2  LYS  21           2HG      LYS  21  -0.371  -3.139  -5.087
  133    HG3  LYS  21           1HG      LYS  21  -0.037  -1.736  -6.107
  134    HD2  LYS  21           2HD      LYS  21   2.343  -1.881  -5.498
  135    HD3  LYS  21           1HD      LYS  21   1.923  -3.240  -4.436
  136    HE2  LYS  21           2HE      LYS  21   1.174  -4.535  -6.361
  137    HE3  LYS  21           1HE      LYS  21   1.574  -3.197  -7.433
  138    HZ1  LYS  21           3HZ      LYS  21   3.534  -4.756  -5.799
  139    HZ2  LYS  21           1HZ      LYS  21   3.915  -3.472  -6.845
  140    HZ3  LYS  21           2HZ      LYS  21   3.249  -4.921  -7.428
  141    H    VAL  22           H        VAL  22   1.976  -0.042  -2.201
  142    HA   VAL  22           HA       VAL  22   1.077   0.298   0.434
  143    HB   VAL  22           HB       VAL  22   2.799   2.062  -1.298
  144   HG11  VAL  22          1HG1      VAL  22   3.445   3.080   0.830
  145   HG12  VAL  22          2HG1      VAL  22   2.194   2.076   1.630
  146   HG13  VAL  22          3HG1      VAL  22   1.731   3.257   0.409
  147   HG21  VAL  22          3HG2      VAL  22   3.527  -0.045   0.794
  148   HG22  VAL  22          1HG2      VAL  22   4.654   0.948  -0.143
  149   HG23  VAL  22          2HG2      VAL  22   3.597  -0.282  -0.913
  150    H    CYS  23           H        CYS  23  -0.773   0.836   0.594
  151    HA   CYS  23           HA       CYS  23  -1.863   3.133  -0.897
  152    HB2  CYS  23           2HB      CYS  23  -3.421   1.292   0.914
  153    HB3  CYS  23           1HB      CYS  23  -4.027   2.477  -0.251
  154    H    CYS  24           H        CYS  24  -3.190   4.674   0.271
  155    HA   CYS  24           HA       CYS  24  -2.132   5.396   2.862
  156    HB2  CYS  24           2HB      CYS  24  -2.421   7.077   0.343
  157    HB3  CYS  24           1HB      CYS  24  -2.111   7.800   1.913
  158    H    ARG  25           H        ARG  25  -3.715   6.943   3.885
  159    HA   ARG  25           HA       ARG  25  -6.348   6.062   3.013
  160    HB2  ARG  25           2HB      ARG  25  -5.153   5.069   5.121
  161    HB3  ARG  25           1HB      ARG  25  -5.605   6.603   5.833
  162    HG2  ARG  25           2HG      ARG  25  -7.709   5.143   4.438
  163    HG3  ARG  25           1HG      ARG  25  -7.151   4.442   5.967
  164    HD2  ARG  25           2HD      ARG  25  -8.133   7.279   5.525
  165    HD3  ARG  25           1HD      ARG  25  -9.100   5.972   6.218
  166    HE   ARG  25           HE       ARG  25  -7.023   5.975   7.859
  167   HH11  ARG  25          1HH1      ARG  25  -8.817   8.767   6.605
  168   HH12  ARG  25          2HH1      ARG  25  -8.723   9.662   8.049
  169   HH21  ARG  25          1HH2      ARG  25  -6.806   7.176   9.780
  170   HH22  ARG  25          2HH2      ARG  25  -7.499   8.714   9.975
  171    H    ASP  26           H        ASP  26  -7.721   7.641   2.643
  172    HA   ASP  26           HA       ASP  26  -6.732  10.349   2.974
  173    HB2  ASP  26           2HB      ASP  26  -7.965  10.857   1.076
  174    HB3  ASP  26           1HB      ASP  26  -7.535   9.178   0.746
  175    H    LEU  27           H        LEU  27  -8.919  11.586   2.768
  176    HA   LEU  27           HA       LEU  27  -9.610  12.002   5.398
  177    HB2  LEU  27           2HB      LEU  27 -10.656  13.066   2.866
  178    HB3  LEU  27           1HB      LEU  27 -11.136  13.781   4.414
  179    HG   LEU  27           HG       LEU  27  -8.523  14.192   4.574
  180   HD11  LEU  27          1HD1      LEU  27  -7.527  14.607   2.325
  181   HD12  LEU  27          2HD1      LEU  27  -8.943  13.768   1.633
  182   HD13  LEU  27          3HD1      LEU  27  -7.851  12.910   2.694
  183   HD21  LEU  27          3HD2      LEU  27 -10.186  15.962   4.463
  184   HD22  LEU  27          1HD2      LEU  27 -10.300  15.759   2.715
  185   HD23  LEU  27          2HD2      LEU  27  -8.802  16.349   3.439
  186    H    SER  28           H        SER  28 -11.230  10.667   2.597
  187    HA   SER  28           HA       SER  28 -13.736  10.450   3.892
  188    HB2  SER  28           2HB      SER  28 -13.696  10.914   1.497
  189    HB3  SER  28           1HB      SER  28 -12.781   9.442   1.190
  190    HG   SER  28           HG       SER  28 -14.853   8.662   2.494
  191    H    GLY  29           H        GLY  29 -10.926   8.889   4.042
  192    HA2  GLY  29           2HA      GLY  29 -10.234   7.146   4.970
  193    HA3  GLY  29           1HA      GLY  29 -11.868   6.746   5.545
  194    H    ARG  30           H        ARG  30 -10.621   7.077   2.235
  195    HA   ARG  30           HA       ARG  30 -11.369   4.323   1.641
  196    HB2  ARG  30           2HB      ARG  30 -10.469   6.485  -0.272
  197    HB3  ARG  30           1HB      ARG  30 -11.356   5.022  -0.641
  198    HG2  ARG  30           2HG      ARG  30 -12.464   7.391   0.863
  199    HG3  ARG  30           1HG      ARG  30 -12.703   7.089  -0.853
  200    HD2  ARG  30           2HD      ARG  30 -14.662   6.424   0.343
  201    HD3  ARG  30           1HD      ARG  30 -13.844   4.965  -0.239
  202    HE   ARG  30           HE       ARG  30 -12.914   5.339   2.276
  203   HH11  ARG  30          1HH1      ARG  30 -16.174   5.024   0.975
  204   HH12  ARG  30          2HH1      ARG  30 -16.838   4.299   2.368
  205   HH21  ARG  30          1HH2      ARG  30 -13.735   4.381   4.148
  206   HH22  ARG  30          2HH2      ARG  30 -15.372   3.915   4.299
  207    H    CYS  31           H        CYS  31  -9.688   3.440  -0.047
  208    HA   CYS  31           HA       CYS  31  -7.067   4.105   0.965
  209    HB2  CYS  31           2HB      CYS  31  -8.230   1.528   0.055
  210    HB3  CYS  31           1HB      CYS  31  -6.499   1.807  -0.162
  211    H    VAL  32           H        VAL  32  -5.849   5.203  -0.215
  212    HA   VAL  32           HA       VAL  32  -6.231   4.988  -2.978
  213    HB   VAL  32           HB       VAL  32  -4.909   7.300  -2.978
  214   HG11  VAL  32          1HG1      VAL  32  -7.094   8.411  -3.083
  215   HG12  VAL  32          2HG1      VAL  32  -7.835   6.982  -2.338
  216   HG13  VAL  32          3HG1      VAL  32  -7.042   6.851  -3.921
  217   HG21  VAL  32          3HG2      VAL  32  -4.737   7.140  -0.438
  218   HG22  VAL  32          1HG2      VAL  32  -6.445   7.554  -0.351
  219   HG23  VAL  32          2HG2      VAL  32  -5.308   8.690  -1.070
  220    HA   PRO  33           HA       PRO  33  -2.213   3.134  -2.996
  221    HB2  PRO  33           2HB      PRO  33  -1.581   3.674  -5.630
  222    HB3  PRO  33           1HB      PRO  33  -2.645   2.341  -5.137
  223    HG2  PRO  33           2HG      PRO  33  -3.380   5.030  -6.170
  224    HG3  PRO  33           1HG      PRO  33  -4.111   3.449  -6.518
  225    HD2  PRO  33           2HD      PRO  33  -5.281   5.169  -4.794
  226    HD3  PRO  33           1HD      PRO  33  -5.313   3.411  -4.547
  227    H    TYR  34           H        TYR  34  -0.259   4.009  -2.239
  228    HA   TYR  34           HA       TYR  34   0.155   6.775  -2.308
  229    HB2  TYR  34           2HB      TYR  34   1.192   5.893  -0.534
  230    HB3  TYR  34           1HB      TYR  34   1.654   4.402  -1.367
  231    HD1  TYR  34           1HD      TYR  34   2.750   8.016  -0.651
  232    HD2  TYR  34           2HD      TYR  34   3.829   4.291  -2.550
  233    HE1  TYR  34           1HE      TYR  34   4.858   8.697  -0.801
  234    HE2  TYR  34           2HE      TYR  34   6.021   5.113  -2.716
  235    HH   TYR  34           HH       TYR  34   7.088   7.801  -0.985
  236    H    VAL  35           H        VAL  35   1.321   8.021  -3.541
  237    HA   VAL  35           HA       VAL  35   3.331   6.931  -5.143
  238    HB   VAL  35           HB       VAL  35   2.006   9.130  -6.363
  239   HG11  VAL  35          1HG1      VAL  35   3.688   8.046  -7.421
  240   HG12  VAL  35          2HG1      VAL  35   2.251   7.903  -8.438
  241   HG13  VAL  35          3HG1      VAL  35   2.816   6.512  -7.488
  242   HG21  VAL  35          3HG2      VAL  35  -0.027   8.076  -5.557
  243   HG22  VAL  35          1HG2      VAL  35   0.321   6.625  -6.478
  244   HG23  VAL  35          2HG2      VAL  35  -0.016   8.148  -7.336
  245    H    ASP  36           H        ASP  36   4.910   8.506  -4.915
  246    HA   ASP  36           HA       ASP  36   3.981  11.118  -3.886
  247    HB2  ASP  36           2HB      ASP  36   5.084   9.722  -2.208
  248    HB3  ASP  36           1HB      ASP  36   6.538   9.676  -3.256
  249    H    ALA  37           H        ALA  37   5.311  12.491  -4.081
  250    HA   ALA  37           HA       ALA  37   4.234  13.550  -6.112
  251    HB1  ALA  37           1HB      ALA  37   5.379  14.399  -4.347
  252    HB2  ALA  37           2HB      ALA  37   5.561  15.427  -5.814
  253    HB3  ALA  37           3HB      ALA  37   6.909  14.383  -5.224
  254    H    GLU  38           H        GLU  38   7.336  11.834  -6.678
  255    HA   GLU  38           HA       GLU  38   7.765  12.850  -9.172
  256    HB2  GLU  38           2HB      GLU  38   8.690  10.537  -7.677
  257    HB3  GLU  38           1HB      GLU  38   9.578  11.094  -9.133
  258    HG2  GLU  38           2HG      GLU  38  10.873  12.117  -7.539
  259    HG3  GLU  38           1HG      GLU  38   9.512  13.233  -7.341
  260    H    GLN  39           H        GLN  39   5.337  10.790  -8.016
  261    HA   GLN  39           HA       GLN  39   4.026   9.399  -8.652
  262    HB2  GLN  39           2HB      GLN  39   5.543   9.828 -11.031
  263    HB3  GLN  39           1HB      GLN  39   4.203   8.617 -11.134
  264    HG2  GLN  39           2HG      GLN  39   2.706  10.460 -10.407
  265    HG3  GLN  39           1HG      GLN  39   4.109  11.525 -10.355
  266   HE21  GLN  39          1HE2      GLN  39   4.989  12.226 -12.294
  267   HE22  GLN  39          2HE2      GLN  39   4.140  12.101 -13.805
  268    H    LYS  40           H        LYS  40   6.460   8.888  -7.325
  269    HA   LYS  40           HA       LYS  40   7.216   6.270  -8.086
  270    HB2  LYS  40           2HB      LYS  40   8.581   6.279  -6.223
  271    HB3  LYS  40           1HB      LYS  40   8.658   7.852  -7.134
  272    HG2  LYS  40           2HG      LYS  40   7.553   8.992  -5.356
  273    HG3  LYS  40           1HG      LYS  40   7.244   7.461  -4.515
  274    HD2  LYS  40           2HD      LYS  40   9.657   7.121  -4.193
  275    HD3  LYS  40           1HD      LYS  40   9.999   8.606  -5.069
  276    HE2  LYS  40           2HE      LYS  40   8.405   8.529  -2.500
  277    HE3  LYS  40           1HE      LYS  40  10.151   8.720  -2.539
  278    HZ1  LYS  40           3HZ      LYS  40   8.400  10.537  -4.056
  279    HZ2  LYS  40           1HZ      LYS  40   9.928  10.818  -3.613
  280    HZ3  LYS  40           2HZ      LYS  40   8.632  10.885  -2.481
  281    H    ASN  41           H        ASN  41   6.652   4.436  -7.175
  282    HA   ASN  41           HA       ASN  41   4.401   4.445  -5.302
  283    HB2  ASN  41           2HB      ASN  41   3.794   4.084  -7.722
  284    HB3  ASN  41           1HB      ASN  41   4.943   2.746  -7.634
  285   HD21  ASN  41          1HD2      ASN  41   1.873   3.853  -6.203
  286   HD22  ASN  41          2HD2      ASN  41   1.233   2.276  -5.961
  287    H    LEU  42           H        LEU  42   4.211   1.872  -4.822
  288    HA   LEU  42           HA       LEU  42   6.798   0.719  -4.142
  289    HB2  LEU  42           2HB      LEU  42   4.908   1.741  -2.090
  290    HB3  LEU  42           1HB      LEU  42   6.199   0.613  -1.768
  291    HG   LEU  42           HG       LEU  42   6.664   3.341  -2.857
  292   HD11  LEU  42          1HD1      LEU  42   6.155   2.350  -0.078
  293   HD12  LEU  42          2HD1      LEU  42   5.483   3.723  -0.998
  294   HD13  LEU  42          3HD1      LEU  42   7.140   3.815  -0.384
  295   HD21  LEU  42          3HD2      LEU  42   8.879   3.018  -1.846
  296   HD22  LEU  42          1HD2      LEU  42   8.530   1.748  -3.020
  297   HD23  LEU  42          2HD2      LEU  42   8.395   1.414  -1.292
  298    H    PHE  43           H        PHE  43   6.630  -1.425  -3.673
  299    HA   PHE  43           HA       PHE  43   4.186  -2.698  -3.676
  300    HB2  PHE  43           2HB      PHE  43   5.650  -4.651  -3.892
  301    HB3  PHE  43           1HB      PHE  43   6.186  -3.251  -4.850
  302    HD1  PHE  43           1HD      PHE  43   8.224  -2.094  -4.476
  303    HD2  PHE  43           2HD      PHE  43   7.100  -5.353  -1.979
  304    HE1  PHE  43           1HE      PHE  43  10.509  -2.192  -3.577
  305    HE2  PHE  43           2HE      PHE  43   9.382  -5.451  -1.075
  306    HZ   PHE  43           HZ       PHE  43  11.090  -3.870  -1.874
  307    H    LEU  44           H        LEU  44   3.442  -3.825  -1.672
  308    HA   LEU  44           HA       LEU  44   4.576  -2.885   0.580
  309    HB2  LEU  44           2HB      LEU  44   2.236  -4.629   0.048
  310    HB3  LEU  44           1HB      LEU  44   2.888  -4.636   1.671
  311    HG   LEU  44           HG       LEU  44   1.932  -2.147   0.237
  312   HD11  LEU  44          1HD1      LEU  44   0.021  -2.283   1.750
  313   HD12  LEU  44          2HD1      LEU  44   0.635  -3.814   2.375
  314   HD13  LEU  44          3HD1      LEU  44   0.098  -3.700   0.701
  315   HD21  LEU  44          3HD2      LEU  44   2.663  -2.639   3.124
  316   HD22  LEU  44          1HD2      LEU  44   2.071  -1.129   2.443
  317   HD23  LEU  44          2HD2      LEU  44   3.653  -1.748   1.971
  318    H    ARG  45           H        ARG  45   4.829  -4.859   2.387
  319    HA   ARG  45           HA       ARG  45   7.114  -6.302   1.719
  320    HB2  ARG  45           2HB      ARG  45   5.817  -5.676   4.021
  321    HB3  ARG  45           1HB      ARG  45   5.459  -7.396   3.750
  322    HG2  ARG  45           2HG      ARG  45   7.877  -7.909   3.606
  323    HG3  ARG  45           1HG      ARG  45   8.200  -6.259   4.134
  324    HD2  ARG  45           2HD      ARG  45   7.015  -6.633   6.193
  325    HD3  ARG  45           1HD      ARG  45   6.525  -8.240   5.662
  326    HE   ARG  45           HE       ARG  45   9.223  -7.389   6.398
  327   HH11  ARG  45          1HH1      ARG  45   7.008 -10.081   5.561
  328   HH12  ARG  45          2HH1      ARG  45   7.909 -11.269   6.334
  329   HH21  ARG  45          1HH2      ARG  45  10.517  -9.102   7.472
  330   HH22  ARG  45          2HH2      ARG  45   9.965 -10.707   7.445
  331    H    LYS  46           H        LYS  46   7.173  -8.621   2.286
  332    HA   LYS  46           HA       LYS  46   5.388 -10.219   0.581
  333    HB2  LYS  46           2HB      LYS  46   7.717 -10.266  -0.098
  334    HB3  LYS  46           1HB      LYS  46   8.238 -10.603   1.536
  335    HG2  LYS  46           2HG      LYS  46   8.469 -12.575   0.174
  336    HG3  LYS  46           1HG      LYS  46   7.215 -12.839   1.377
  337    HD2  LYS  46           2HD      LYS  46   5.492 -12.523  -0.293
  338    HD3  LYS  46           1HD      LYS  46   6.701 -12.079  -1.505
  339    HE2  LYS  46           2HE      LYS  46   7.693 -14.308  -1.354
  340    HE3  LYS  46           1HE      LYS  46   6.534 -14.753  -0.105
  341    HZ1  LYS  46           3HZ      LYS  46   5.743 -13.990  -2.882
  342    HZ2  LYS  46           1HZ      LYS  46   4.765 -14.617  -1.672
  343    HZ3  LYS  46           2HZ      LYS  46   5.903 -15.587  -2.338
  344    H    GLY  47           H        GLY  47   4.202 -11.806   1.504
  345    HA2  GLY  47           2HA      GLY  47   3.434 -13.319   3.063
  346    HA3  GLY  47           1HA      GLY  47   4.850 -12.979   4.066
  347    H    LYS  48           H        LYS  48   3.067 -10.354   2.888
  348    HA   LYS  48           HA       LYS  48   2.264  -9.657   5.579
  349    HB2  LYS  48           2HB      LYS  48   3.388  -7.977   4.333
  350    HB3  LYS  48           1HB      LYS  48   2.416  -8.264   2.918
  351    HG2  LYS  48           2HG      LYS  48   1.217  -7.093   5.428
  352    HG3  LYS  48           1HG      LYS  48   2.090  -6.078   4.280
  353    HD2  LYS  48           2HD      LYS  48   0.553  -6.739   2.506
  354    HD3  LYS  48           1HD      LYS  48  -0.287  -7.816   3.620
  355    HE2  LYS  48           2HE      LYS  48  -0.914  -5.889   4.985
  356    HE3  LYS  48           1HE      LYS  48  -0.121  -4.805   3.848
  357    HZ1  LYS  48           3HZ      LYS  48  -2.495  -4.936   3.397
  358    HZ2  LYS  48           1HZ      LYS  48  -2.381  -6.621   3.301
  359    HZ3  LYS  48           2HZ      LYS  48  -1.650  -5.646   2.113
  360    HA   PRO  49           HA       PRO  49  -1.901 -11.282   4.998
  361    HB2  PRO  49           2HB      PRO  49  -2.740  -9.032   6.756
  362    HB3  PRO  49           1HB      PRO  49  -3.021 -10.775   6.960
  363    HG2  PRO  49           2HG      PRO  49  -1.263  -9.542   8.484
  364    HG3  PRO  49           1HG      PRO  49  -0.940 -11.168   7.849
  365    HD2  PRO  49           2HD      PRO  49   0.177  -8.553   6.948
  366    HD3  PRO  49           1HD      PRO  49   0.958 -10.144   7.086
  367    H    CYS  50           H        CYS  50  -2.898 -10.874   3.087
  368    HA   CYS  50           HA       CYS  50  -3.611  -8.139   2.536
  369    HB2  CYS  50           2HB      CYS  50  -3.543  -8.642   0.166
  370    HB3  CYS  50           1HB      CYS  50  -2.018  -9.090   0.897
  371    H    THR  51           H        THR  51  -5.457  -8.959   0.373
  372    HA   THR  51           HA       THR  51  -7.832  -9.119   1.782
  373    HB   THR  51           HB       THR  51  -8.724  -9.658  -0.551
  374    HG1  THR  51           1HG      THR  51  -7.312  -9.829  -2.172
  375   HG21  THR  51          3HG2      THR  51  -8.094  -7.479  -1.432
  376   HG22  THR  51          1HG2      THR  51  -6.752  -7.437  -0.294
  377   HG23  THR  51          2HG2      THR  51  -8.420  -7.351   0.313
  378    H    VAL  52           H        VAL  52  -6.315 -11.405  -0.269
  379    HA   VAL  52           HA       VAL  52  -8.134 -13.485   0.623
  380    HB   VAL  52           HB       VAL  52  -7.440 -14.757  -1.351
  381   HG11  VAL  52          1HG1      VAL  52  -8.285 -11.886  -1.778
  382   HG12  VAL  52          2HG1      VAL  52  -9.337 -13.286  -1.546
  383   HG13  VAL  52          3HG1      VAL  52  -8.382 -13.132  -3.023
  384   HG21  VAL  52          3HG2      VAL  52  -5.117 -13.799  -1.442
  385   HG22  VAL  52          1HG2      VAL  52  -5.781 -12.330  -2.148
  386   HG23  VAL  52          2HG2      VAL  52  -5.926 -13.859  -3.003
  387    H    GLY  53           H        GLY  53  -4.856 -12.712   1.197
  388    HA2  GLY  53           2HA      GLY  53  -4.519 -14.725   2.980
  389    HA3  GLY  53           1HA      GLY  53  -3.871 -15.310   1.440
  390    H    PHE  54           H        PHE  54  -1.802 -14.977   1.176
  391    HA   PHE  54           HA       PHE  54  -0.500 -12.932   2.823
  392    HB2  PHE  54           2HB      PHE  54   0.730 -15.267   1.334
  393    HB3  PHE  54           1HB      PHE  54   1.623 -14.066   2.267
  394    HD1  PHE  54           1HD      PHE  54   1.376 -13.966   4.709
  395    HD2  PHE  54           2HD      PHE  54  -0.417 -17.059   2.406
  396    HE1  PHE  54           1HE      PHE  54   1.083 -15.308   6.749
  397    HE2  PHE  54           2HE      PHE  54  -0.718 -18.408   4.440
  398    HZ   PHE  54           HZ       PHE  54   0.032 -17.533   6.617
  399    H    CYS  55           H        CYS  55   1.023 -11.609   1.908
  400    HA   CYS  55           HA       CYS  55   0.192 -10.775  -0.750
  401    HB2  CYS  55           2HB      CYS  55  -0.087  -9.223   1.095
  402    HB3  CYS  55           1HB      CYS  55   1.609  -9.384   1.476
  403    H    ASP  56           H        ASP  56   1.685 -10.256  -2.351
  404    HA   ASP  56           HA       ASP  56   4.416 -10.996  -1.801
  405    HB2  ASP  56           2HB      ASP  56   3.247 -12.698  -3.142
  406    HB3  ASP  56           1HB      ASP  56   2.788 -11.431  -4.283
  407    H    MET  57           H        MET  57   5.899  -9.885  -3.326
  408    HA   MET  57           HA       MET  57   5.929  -7.192  -3.261
  409    HB2  MET  57           2HB      MET  57   7.681  -8.978  -3.495
  410    HB3  MET  57           1HB      MET  57   7.263  -9.054  -5.189
  411    HG2  MET  57           2HG      MET  57   8.172  -6.664  -3.761
  412    HG3  MET  57           1HG      MET  57   9.261  -7.797  -4.577
  413    HE1  MET  57           3HE      MET  57   9.511  -4.747  -5.307
  414    HE2  MET  57           1HE      MET  57   9.493  -4.764  -7.070
  415    HE3  MET  57           2HE      MET  57  10.386  -6.001  -6.186
  416    H    ASN  58           H        ASN  58   5.058  -9.385  -5.913
  417    HA   ASN  58           HA       ASN  58   4.976  -7.567  -8.046
  418    HB2  ASN  58           2HB      ASN  58   4.989  -9.957  -8.444
  419    HB3  ASN  58           1HB      ASN  58   3.438 -10.141  -7.638
  420   HD21  ASN  58          1HD2      ASN  58   1.497  -9.556  -8.785
  421   HD22  ASN  58          2HD2      ASN  58   1.557  -9.234 -10.472
  422    H    GLY  59           H        GLY  59   2.663  -8.281  -5.615
  423    HA2  GLY  59           2HA      GLY  59   0.749  -6.878  -5.230
  424    HA3  GLY  59           1HA      GLY  59   0.665  -6.597  -6.981
  425    H    LYS  60           H        LYS  60   0.938  -9.287  -4.787
  426    HA   LYS  60           HA       LYS  60  -1.176 -10.819  -6.078
  427    HB2  LYS  60           2HB      LYS  60   0.299 -11.714  -7.467
  428    HB3  LYS  60           1HB      LYS  60   1.689 -11.055  -6.540
  429    HG2  LYS  60           2HG      LYS  60   1.492 -13.041  -5.055
  430    HG3  LYS  60           1HG      LYS  60   0.181 -13.643  -6.069
  431    HD2  LYS  60           2HD      LYS  60   1.641 -13.892  -7.953
  432    HD3  LYS  60           1HD      LYS  60   2.936 -13.021  -7.136
  433    HE2  LYS  60           2HE      LYS  60   1.815 -15.681  -6.244
  434    HE3  LYS  60           1HE      LYS  60   3.287 -15.480  -7.193
  435    HZ1  LYS  60           3HZ      LYS  60   2.833 -14.342  -4.497
  436    HZ2  LYS  60           1HZ      LYS  60   4.287 -14.256  -5.312
  437    HZ3  LYS  60           2HZ      LYS  60   3.677 -15.722  -4.721
  438    H    CYS  61           H        CYS  61  -1.680 -12.457  -5.049
  439    HA   CYS  61           HA       CYS  61  -0.828 -12.438  -2.293
  440    HB2  CYS  61           2HB      CYS  61  -3.387 -12.223  -3.580
  441    HB3  CYS  61           1HB      CYS  61  -3.368 -13.040  -1.974
  442    H    GLU  62           H        GLU  62  -1.000 -14.372  -1.261
  443    HA   GLU  62           HA       GLU  62  -1.164 -16.711  -2.945
  444    HB2  GLU  62           2HB      GLU  62   0.802 -16.144  -0.699
  445    HB3  GLU  62           1HB      GLU  62   0.758 -17.602  -1.688
  446    HG2  GLU  62           2HG      GLU  62   1.384 -16.385  -3.646
  447    HG3  GLU  62           1HG      GLU  62   1.200 -14.851  -2.814
  Start of MODEL   10
    1    H    PHE   1           1HT      PHE   1   5.613   1.668   6.279
    2    HA   PHE   1           HA       PHE   1   6.110   2.421   4.023
    3    HB2  PHE   1           2HB      PHE   1   4.085   1.350   2.881
    4    HB3  PHE   1           1HB      PHE   1   5.095   0.324   3.906
    5    HD1  PHE   1           2HD      PHE   1   4.158  -0.436   6.073
    6    HD2  PHE   1           1HD      PHE   1   1.827   1.789   3.300
    7    HE1  PHE   1           2HE      PHE   1   2.105  -1.178   7.206
    8    HE2  PHE   1           1HE      PHE   1  -0.220   1.046   4.408
    9    HZ   PHE   1           HZ       PHE   1  -0.089  -0.440   6.373
   10    H    CYS   2           H        CYS   2   3.192   3.849   5.214
   11    HA   CYS   2           HA       CYS   2   3.806   5.963   3.322
   12    HB2  CYS   2           2HB      CYS   2   1.779   4.629   2.697
   13    HB3  CYS   2           1HB      CYS   2   1.042   5.170   4.204
   14    H    GLU   3           H        GLU   3   3.331   5.017   6.505
   15    HA   GLU   3           HA       GLU   3   2.049   7.203   7.768
   16    HB2  GLU   3           2HB      GLU   3   3.997   5.398   9.164
   17    HB3  GLU   3           1HB      GLU   3   2.552   6.145   9.805
   18    HG2  GLU   3           2HG      GLU   3   2.076   3.867   9.679
   19    HG3  GLU   3           1HG      GLU   3   1.273   4.595   8.270
   20    H    ARG   4           H        ARG   4   5.387   6.366   7.462
   21    HA   ARG   4           HA       ARG   4   5.945   8.862   8.697
   22    HB2  ARG   4           2HB      ARG   4   7.107   7.153   9.834
   23    HB3  ARG   4           1HB      ARG   4   7.664   6.425   8.349
   24    HG2  ARG   4           2HG      ARG   4   9.384   7.605   9.831
   25    HG3  ARG   4           1HG      ARG   4   9.412   7.966   8.112
   26    HD2  ARG   4           2HD      ARG   4   9.705   9.936   9.656
   27    HD3  ARG   4           1HD      ARG   4   8.442  10.093   8.448
   28    HE   ARG   4           HE       ARG   4   7.871   9.373  11.241
   29   HH11  ARG   4          1HH1      ARG   4   7.140  11.247   8.303
   30   HH12  ARG   4          2HH1      ARG   4   6.018  12.281   9.046
   31   HH21  ARG   4          1HH2      ARG   4   6.203  10.830  12.277
   32   HH22  ARG   4          2HH2      ARG   4   5.462  12.017  11.301
   33    H    GLU   5           H        GLU   5   6.443   7.051   5.856
   34    HA   GLU   5           HA       GLU   5   8.179   8.586   4.447
   35    HB2  GLU   5           2HB      GLU   5   5.943   6.796   3.497
   36    HB3  GLU   5           1HB      GLU   5   7.347   7.284   2.557
   37    HG2  GLU   5           2HG      GLU   5   8.006   5.144   3.281
   38    HG3  GLU   5           1HG      GLU   5   8.686   6.236   4.498
   39    H    GLN   6           H        GLN   6   4.531   8.701   4.358
   40    HA   GLN   6           HA       GLN   6   4.797  11.276   2.901
   41    HB2  GLN   6           2HB      GLN   6   2.443   9.405   2.974
   42    HB3  GLN   6           1HB      GLN   6   2.578  10.878   2.042
   43    HG2  GLN   6           2HG      GLN   6   4.089   8.331   1.638
   44    HG3  GLN   6           1HG      GLN   6   2.704   8.970   0.717
   45   HE21  GLN   6          1HE2      GLN   6   3.066  10.664  -0.745
   46   HE22  GLN   6          2HE2      GLN   6   4.656  11.103  -1.267
   47    H    GLN   7           H        GLN   7   4.290   9.966   5.833
   48    HA   GLN   7           HA       GLN   7   2.924   9.924   7.340
   49    HB2  GLN   7           2HB      GLN   7   2.475  12.332   8.387
   50    HB3  GLN   7           1HB      GLN   7   4.044  11.541   8.423
   51    HG2  GLN   7           2HG      GLN   7   4.588  12.635   6.382
   52    HG3  GLN   7           1HG      GLN   7   3.115  13.605   6.468
   53   HE21  GLN   7          1HE2      GLN   7   4.130  15.564   6.746
   54   HE22  GLN   7          2HE2      GLN   7   4.998  16.013   8.177
   55    H    LEU   8           H        LEU   8   1.587   9.141   5.675
   56    HA   LEU   8           HA       LEU   8  -1.162  10.196   5.956
   57    HB2  LEU   8           2HB      LEU   8   0.154   8.500   3.855
   58    HB3  LEU   8           1HB      LEU   8  -1.581   8.654   4.061
   59    HG   LEU   8           HG       LEU   8   0.098  11.025   3.720
   60   HD11  LEU   8          1HD1      LEU   8  -0.455  10.859   1.205
   61   HD12  LEU   8          2HD1      LEU   8  -1.050   9.223   1.522
   62   HD13  LEU   8          3HD1      LEU   8   0.656   9.595   1.729
   63   HD21  LEU   8          3HD2      LEU   8  -2.768  10.395   3.074
   64   HD22  LEU   8          1HD2      LEU   8  -1.988  11.939   2.729
   65   HD23  LEU   8          2HD2      LEU   8  -2.163  11.394   4.396
   66    H    GLU   9           H        GLU   9  -2.590   8.780   6.275
   67    HA   GLU   9           HA       GLU   9  -1.842   6.736   8.191
   68    HB2  GLU   9           2HB      GLU   9  -4.015   8.143   8.202
   69    HB3  GLU   9           1HB      GLU   9  -4.461   7.045   6.885
   70    HG2  GLU   9           2HG      GLU   9  -4.325   5.147   8.362
   71    HG3  GLU   9           1HG      GLU   9  -3.900   6.214   9.708
   72    H    SER  10           H        SER  10  -2.063   4.528   7.802
   73    HA   SER  10           HA       SER  10  -1.699   3.721   5.119
   74    HB2  SER  10           2HB      SER  10  -1.120   1.730   6.218
   75    HB3  SER  10           1HB      SER  10  -0.403   3.236   6.951
   76    HG   SER  10           HG       SER  10  -2.777   2.396   8.057
   77    H    CYS  11           H        CYS  11  -2.989   2.129   4.157
   78    HA   CYS  11           HA       CYS  11  -5.149   0.913   5.497
   79    HB2  CYS  11           2HB      CYS  11  -6.235   3.221   4.946
   80    HB3  CYS  11           1HB      CYS  11  -5.986   2.811   3.254
   81    H    ALA  12           H        ALA  12  -6.559  -0.106   3.455
   82    HA   ALA  12           HA       ALA  12  -4.514  -1.210   1.669
   83    HB1  ALA  12           1HB      ALA  12  -5.688  -3.366   1.785
   84    HB2  ALA  12           2HB      ALA  12  -6.820  -2.683   2.953
   85    HB3  ALA  12           3HB      ALA  12  -5.118  -2.863   3.377
   86    H    CYS  13           H        CYS  13  -5.134  -1.447  -0.431
   87    HA   CYS  13           HA       CYS  13  -7.373   0.090  -1.459
   88    HB2  CYS  13           2HB      CYS  13  -5.436  -1.743  -2.793
   89    HB3  CYS  13           1HB      CYS  13  -6.559  -0.708  -3.559
   90    H    ASN  14           H        ASN  14  -8.473  -1.756   0.101
   91    HA   ASN  14           HA       ASN  14  -9.129  -4.089   0.360
   92    HB2  ASN  14           2HB      ASN  14 -10.866  -2.313   0.435
   93    HB3  ASN  14           1HB      ASN  14 -11.130  -2.676  -1.276
   94   HD21  ASN  14          1HD2      ASN  14 -12.450  -4.394  -1.826
   95   HD22  ASN  14          2HD2      ASN  14 -13.217  -5.409  -0.653
   96    H    GLU  15           H        GLU  15  -8.680  -3.307  -2.927
   97    HA   GLU  15           HA       GLU  15  -9.813  -5.479  -4.127
   98    HB2  GLU  15           2HB      GLU  15  -9.126  -3.324  -5.221
   99    HB3  GLU  15           1HB      GLU  15  -7.456  -3.789  -4.995
  100    HG2  GLU  15           2HG      GLU  15  -9.382  -5.308  -6.744
  101    HG3  GLU  15           1HG      GLU  15  -8.340  -4.014  -7.324
  102    H    THR  16           H        THR  16  -8.464  -7.362  -5.015
  103    HA   THR  16           HA       THR  16  -7.170  -8.720  -2.984
  104    HB   THR  16           HB       THR  16  -7.148  -9.246  -5.948
  105    HG1  THR  16           1HG      THR  16  -9.117  -9.684  -5.630
  106   HG21  THR  16          3HG2      THR  16  -6.625 -11.181  -3.655
  107   HG22  THR  16          1HG2      THR  16  -5.389 -10.441  -4.688
  108   HG23  THR  16          2HG2      THR  16  -6.584 -11.547  -5.380
  109    H    ASP  17           H        ASP  17  -5.651  -7.510  -5.944
  110    HA   ASP  17           HA       ASP  17  -3.268  -8.336  -4.676
  111    HB2  ASP  17           2HB      ASP  17  -3.853  -7.226  -7.314
  112    HB3  ASP  17           1HB      ASP  17  -2.176  -7.346  -6.769
  113    H    ASN  18           H        ASN  18  -4.963  -5.351  -5.267
  114    HA   ASN  18           HA       ASN  18  -2.695  -3.810  -4.672
  115    HB2  ASN  18           2HB      ASN  18  -5.590  -3.095  -5.042
  116    HB3  ASN  18           1HB      ASN  18  -4.405  -1.913  -4.492
  117   HD21  ASN  18          1HD2      ASN  18  -5.286  -4.040  -7.144
  118   HD22  ASN  18          2HD2      ASN  18  -4.379  -3.188  -8.340
  119    H    SER  19           H        SER  19  -4.395  -5.742  -2.719
  120    HA   SER  19           HA       SER  19  -4.090  -4.016  -0.430
  121    HB2  SER  19           2HB      SER  19  -4.592  -6.094   0.960
  122    HB3  SER  19           1HB      SER  19  -5.846  -5.694  -0.226
  123    HG   SER  19           HG       SER  19  -4.646  -7.348  -1.564
  124    H    CYS  20           H        CYS  20  -1.912  -5.370  -2.369
  125    HA   CYS  20           HA       CYS  20   0.094  -5.947  -0.312
  126    HB2  CYS  20           2HB      CYS  20  -0.173  -6.724  -3.181
  127    HB3  CYS  20           1HB      CYS  20   1.267  -7.087  -2.256
  128    H    LYS  21           H        LYS  21  -0.864  -3.300  -1.954
  129    HA   LYS  21           HA       LYS  21   1.784  -2.270  -2.265
  130    HB2  LYS  21           2HB      LYS  21   0.811  -2.925  -4.450
  131    HB3  LYS  21           1HB      LYS  21  -0.732  -2.267  -3.961
  132    HG2  LYS  21           2HG      LYS  21   1.565  -0.576  -3.898
  133    HG3  LYS  21           1HG      LYS  21   0.940  -1.019  -5.524
  134    HD2  LYS  21           2HD      LYS  21  -1.269  -0.227  -4.775
  135    HD3  LYS  21           1HD      LYS  21  -0.559   0.216  -3.228
  136    HE2  LYS  21           2HE      LYS  21   0.221   1.376  -5.919
  137    HE3  LYS  21           1HE      LYS  21  -0.787   2.180  -4.715
  138    HZ1  LYS  21           3HZ      LYS  21   1.461   2.960  -4.602
  139    HZ2  LYS  21           1HZ      LYS  21   2.048   1.392  -4.361
  140    HZ3  LYS  21           2HZ      LYS  21   1.060   2.140  -3.184
  141    H    VAL  22           H        VAL  22   2.062  -0.432  -1.885
  142    HA   VAL  22           HA       VAL  22   1.024   0.284   0.570
  143    HB   VAL  22           HB       VAL  22   2.632   1.944  -1.356
  144   HG11  VAL  22          1HG1      VAL  22   3.255   3.194   0.663
  145   HG12  VAL  22          2HG1      VAL  22   1.987   2.272   1.534
  146   HG13  VAL  22          3HG1      VAL  22   1.551   3.301   0.179
  147   HG21  VAL  22          3HG2      VAL  22   3.488  -0.327  -0.691
  148   HG22  VAL  22          1HG2      VAL  22   3.482   0.187   0.977
  149   HG23  VAL  22          2HG2      VAL  22   4.547   1.005  -0.163
  150    H    CYS  23           H        CYS  23  -0.848   0.703   0.691
  151    HA   CYS  23           HA       CYS  23  -2.035   2.929  -0.841
  152    HB2  CYS  23           2HB      CYS  23  -3.560   1.084   0.974
  153    HB3  CYS  23           1HB      CYS  23  -4.174   2.177  -0.272
  154    H    CYS  24           H        CYS  24  -2.830   4.693   0.209
  155    HA   CYS  24           HA       CYS  24  -2.151   4.937   3.045
  156    HB2  CYS  24           2HB      CYS  24  -2.287   7.093   0.920
  157    HB3  CYS  24           1HB      CYS  24  -1.680   7.272   2.558
  158    H    ARG  25           H        ARG  25  -3.677   6.922   3.883
  159    HA   ARG  25           HA       ARG  25  -6.273   6.501   2.639
  160    HB2  ARG  25           2HB      ARG  25  -5.729   5.326   4.884
  161    HB3  ARG  25           1HB      ARG  25  -5.787   6.950   5.543
  162    HG2  ARG  25           2HG      ARG  25  -8.074   6.045   3.937
  163    HG3  ARG  25           1HG      ARG  25  -7.899   5.364   5.566
  164    HD2  ARG  25           2HD      ARG  25  -8.033   8.310   4.818
  165    HD3  ARG  25           1HD      ARG  25  -9.373   7.366   5.474
  166    HE   ARG  25           HE       ARG  25  -7.460   7.019   7.325
  167   HH11  ARG  25          1HH1      ARG  25  -8.617  10.003   5.817
  168   HH12  ARG  25          2HH1      ARG  25  -8.521  10.942   7.239
  169   HH21  ARG  25          1HH2      ARG  25  -7.227   8.254   9.218
  170   HH22  ARG  25          2HH2      ARG  25  -7.670   9.889   9.299
  171    H    ASP  26           H        ASP  26  -7.285   8.382   2.141
  172    HA   ASP  26           HA       ASP  26  -5.622  10.688   2.488
  173    HB2  ASP  26           2HB      ASP  26  -6.540  11.513   0.523
  174    HB3  ASP  26           1HB      ASP  26  -6.585   9.780   0.223
  175    H    LEU  27           H        LEU  27  -7.140  12.552   2.258
  176    HA   LEU  27           HA       LEU  27  -8.028  13.020   4.802
  177    HB2  LEU  27           2HB      LEU  27  -8.980  15.153   3.698
  178    HB3  LEU  27           1HB      LEU  27  -7.250  15.010   4.084
  179    HG   LEU  27           HG       LEU  27  -7.140  14.274   1.549
  180   HD11  LEU  27          1HD1      LEU  27  -9.758  15.755   1.541
  181   HD12  LEU  27          2HD1      LEU  27  -9.520  14.050   1.161
  182   HD13  LEU  27          3HD1      LEU  27  -8.825  15.290   0.119
  183   HD21  LEU  27          3HD2      LEU  27  -6.909  16.600   0.840
  184   HD22  LEU  27          1HD2      LEU  27  -6.140  16.309   2.400
  185   HD23  LEU  27          2HD2      LEU  27  -7.701  17.129   2.325
  186    H    SER  28           H        SER  28  -9.839  12.403   1.965
  187    HA   SER  28           HA       SER  28 -12.279  13.069   3.242
  188    HB2  SER  28           2HB      SER  28 -12.021  13.700   0.913
  189    HB3  SER  28           1HB      SER  28 -11.717  12.025   0.466
  190    HG   SER  28           HG       SER  28 -13.972  11.912   1.655
  191    H    GLY  29           H        GLY  29 -10.246  10.566   3.333
  192    HA2  GLY  29           2HA      GLY  29 -10.421   8.865   4.531
  193    HA3  GLY  29           1HA      GLY  29 -12.187   8.977   4.626
  194    H    ARG  30           H        ARG  30 -10.093   8.623   1.727
  195    HA   ARG  30           HA       ARG  30 -11.324   5.999   1.339
  196    HB2  ARG  30           2HB      ARG  30 -10.099   7.872  -0.711
  197    HB3  ARG  30           1HB      ARG  30 -10.567   6.221  -1.052
  198    HG2  ARG  30           2HG      ARG  30 -12.259   7.613  -1.929
  199    HG3  ARG  30           1HG      ARG  30 -12.928   6.895  -0.468
  200    HD2  ARG  30           2HD      ARG  30 -13.454   9.304  -0.712
  201    HD3  ARG  30           1HD      ARG  30 -12.551   8.937   0.756
  202    HE   ARG  30           HE       ARG  30 -10.626   9.876  -0.180
  203   HH11  ARG  30          1HH1      ARG  30 -13.422  10.324  -2.303
  204   HH12  ARG  30          2HH1      ARG  30 -12.818  11.723  -3.069
  205   HH21  ARG  30          1HH2      ARG  30  -9.837  11.782  -1.114
  206   HH22  ARG  30          2HH2      ARG  30 -10.638  12.602  -2.385
  207    H    CYS  31           H        CYS  31  -9.971   4.316   0.729
  208    HA   CYS  31           HA       CYS  31  -7.226   4.644   1.574
  209    HB2  CYS  31           2HB      CYS  31  -8.731   2.168   0.696
  210    HB3  CYS  31           1HB      CYS  31  -7.169   2.206   1.515
  211    H    VAL  32           H        VAL  32  -5.740   5.092   0.102
  212    HA   VAL  32           HA       VAL  32  -6.493   4.674  -2.571
  213    HB   VAL  32           HB       VAL  32  -5.120   6.855  -3.059
  214   HG11  VAL  32          1HG1      VAL  32  -7.882   6.866  -1.844
  215   HG12  VAL  32          2HG1      VAL  32  -7.439   6.492  -3.517
  216   HG13  VAL  32          3HG1      VAL  32  -7.200   8.131  -2.889
  217   HG21  VAL  32          3HG2      VAL  32  -6.010   7.291  -0.199
  218   HG22  VAL  32          1HG2      VAL  32  -5.300   8.522  -1.235
  219   HG23  VAL  32          2HG2      VAL  32  -4.343   7.115  -0.715
  220    HA   PRO  33           HA       PRO  33  -2.560   2.688  -3.048
  221    HB2  PRO  33           2HB      PRO  33  -2.330   3.080  -5.778
  222    HB3  PRO  33           1HB      PRO  33  -3.350   1.814  -5.062
  223    HG2  PRO  33           2HG      PRO  33  -4.131   4.474  -6.123
  224    HG3  PRO  33           1HG      PRO  33  -4.958   2.908  -6.267
  225    HD2  PRO  33           2HD      PRO  33  -5.784   4.770  -4.500
  226    HD3  PRO  33           1HD      PRO  33  -5.867   3.029  -4.162
  227    H    TYR  34           H        TYR  34  -0.554   3.726  -2.431
  228    HA   TYR  34           HA       TYR  34  -0.383   6.438  -3.093
  229    HB2  TYR  34           2HB      TYR  34   0.549   6.236  -1.158
  230    HB3  TYR  34           1HB      TYR  34   1.257   4.627  -1.440
  231    HD1  TYR  34           1HD      TYR  34   1.674   8.246  -2.629
  232    HD2  TYR  34           2HD      TYR  34   3.594   4.590  -1.517
  233    HE1  TYR  34           1HE      TYR  34   3.771   9.239  -2.999
  234    HE2  TYR  34           2HE      TYR  34   5.774   5.675  -1.898
  235    HH   TYR  34           HH       TYR  34   5.977   9.074  -2.570
  236    H    VAL  35           H        VAL  35   0.201   7.391  -4.682
  237    HA   VAL  35           HA       VAL  35   2.735   6.945  -5.820
  238    HB   VAL  35           HB       VAL  35   0.934   8.147  -7.599
  239   HG11  VAL  35          1HG1      VAL  35   3.074   7.566  -8.112
  240   HG12  VAL  35          2HG1      VAL  35   1.985   6.831  -9.295
  241   HG13  VAL  35          3HG1      VAL  35   2.746   5.832  -8.034
  242   HG21  VAL  35          3HG2      VAL  35   0.289   5.216  -7.232
  243   HG22  VAL  35          1HG2      VAL  35  -0.394   6.264  -8.486
  244   HG23  VAL  35          2HG2      VAL  35  -0.739   6.558  -6.758
  245    H    ASP  36           H        ASP  36   3.517   9.043  -5.761
  246    HA   ASP  36           HA       ASP  36   1.575  11.240  -5.397
  247    HB2  ASP  36           2HB      ASP  36   3.432  12.395  -4.344
  248    HB3  ASP  36           1HB      ASP  36   3.017  10.874  -3.538
  249    H    ALA  37           H        ALA  37   3.259  13.076  -5.933
  250    HA   ALA  37           HA       ALA  37   1.746  13.068  -8.198
  251    HB1  ALA  37           1HB      ALA  37   2.102  15.462  -8.145
  252    HB2  ALA  37           2HB      ALA  37   3.449  15.136  -6.996
  253    HB3  ALA  37           3HB      ALA  37   1.793  14.637  -6.576
  254    H    GLU  38           H        GLU  38   5.030  12.632  -7.386
  255    HA   GLU  38           HA       GLU  38   6.091  13.149  -9.840
  256    HB2  GLU  38           2HB      GLU  38   6.943  11.817  -7.411
  257    HB3  GLU  38           1HB      GLU  38   8.123  12.188  -8.706
  258    HG2  GLU  38           2HG      GLU  38   8.445  14.138  -7.535
  259    HG3  GLU  38           1HG      GLU  38   6.803  14.557  -8.057
  260    H    GLN  39           H        GLN  39   4.003  10.639  -8.704
  261    HA   GLN  39           HA       GLN  39   3.411   8.836  -9.318
  262    HB2  GLN  39           2HB      GLN  39   5.323   9.515 -11.321
  263    HB3  GLN  39           1HB      GLN  39   4.507   7.919 -11.495
  264    HG2  GLN  39           2HG      GLN  39   2.370   9.173 -11.514
  265    HG3  GLN  39           1HG      GLN  39   3.277  10.672 -11.317
  266   HE21  GLN  39          1HE2      GLN  39   5.373   9.838 -13.145
  267   HE22  GLN  39          2HE2      GLN  39   4.701   9.936 -14.742
  268    H    LYS  40           H        LYS  40   5.593   9.130  -7.331
  269    HA   LYS  40           HA       LYS  40   7.212   6.822  -7.755
  270    HB2  LYS  40           2HB      LYS  40   6.715   8.449  -5.329
  271    HB3  LYS  40           1HB      LYS  40   7.990   7.201  -5.547
  272    HG2  LYS  40           2HG      LYS  40   8.789   8.620  -7.429
  273    HG3  LYS  40           1HG      LYS  40   7.636   9.848  -6.854
  274    HD2  LYS  40           2HD      LYS  40  10.020   8.753  -5.301
  275    HD3  LYS  40           1HD      LYS  40   9.922  10.358  -6.013
  276    HE2  LYS  40           2HE      LYS  40   8.185   9.282  -3.784
  277    HE3  LYS  40           1HE      LYS  40   9.514  10.421  -3.606
  278    HZ1  LYS  40           3HZ      LYS  40   8.165  12.116  -4.831
  279    HZ2  LYS  40           1HZ      LYS  40   7.257  11.402  -3.630
  280    HZ3  LYS  40           2HZ      LYS  40   7.010  10.923  -5.133
  281    H    ASN  41           H        ASN  41   6.895   4.970  -6.889
  282    HA   ASN  41           HA       ASN  41   4.265   4.525  -5.679
  283    HB2  ASN  41           2HB      ASN  41   4.842   4.021  -8.161
  284    HB3  ASN  41           1HB      ASN  41   5.673   2.658  -7.438
  285   HD21  ASN  41          1HD2      ASN  41   3.319   2.722  -9.209
  286   HD22  ASN  41          2HD2      ASN  41   2.088   1.809  -8.423
  287    H    LEU  42           H        LEU  42   4.351   2.123  -4.872
  288    HA   LEU  42           HA       LEU  42   6.873   1.161  -3.820
  289    HB2  LEU  42           2HB      LEU  42   4.719   2.145  -2.004
  290    HB3  LEU  42           1HB      LEU  42   6.037   1.109  -1.510
  291    HG   LEU  42           HG       LEU  42   6.319   3.931  -2.487
  292   HD11  LEU  42          1HD1      LEU  42   6.505   2.800   0.317
  293   HD12  LEU  42          2HD1      LEU  42   5.050   3.489  -0.356
  294   HD13  LEU  42          3HD1      LEU  42   6.486   4.519  -0.151
  295   HD21  LEU  42          3HD2      LEU  42   8.586   3.734  -1.545
  296   HD22  LEU  42          1HD2      LEU  42   8.329   2.559  -2.835
  297   HD23  LEU  42          2HD2      LEU  42   8.272   2.044  -1.149
  298    H    PHE  43           H        PHE  43   6.689  -0.890  -2.932
  299    HA   PHE  43           HA       PHE  43   4.259  -2.271  -3.242
  300    HB2  PHE  43           2HB      PHE  43   5.777  -3.226  -4.743
  301    HB3  PHE  43           1HB      PHE  43   7.135  -2.817  -3.713
  302    HD1  PHE  43           2HD      PHE  43   4.100  -5.005  -3.276
  303    HD2  PHE  43           1HD      PHE  43   8.344  -4.680  -3.176
  304    HE1  PHE  43           2HE      PHE  43   4.275  -7.354  -2.524
  305    HE2  PHE  43           1HE      PHE  43   8.513  -7.016  -2.434
  306    HZ   PHE  43           HZ       PHE  43   6.476  -8.352  -2.110
  307    H    LEU  44           H        LEU  44   3.683  -3.619  -1.295
  308    HA   LEU  44           HA       LEU  44   4.600  -2.630   1.030
  309    HB2  LEU  44           2HB      LEU  44   2.431  -4.135   0.181
  310    HB3  LEU  44           1HB      LEU  44   3.264  -5.221   1.262
  311    HG   LEU  44           HG       LEU  44   1.504  -4.100   2.452
  312   HD11  LEU  44          1HD1      LEU  44   4.156  -2.985   3.306
  313   HD12  LEU  44          2HD1      LEU  44   3.471  -4.546   3.758
  314   HD13  LEU  44          3HD1      LEU  44   2.697  -3.054   4.293
  315   HD21  LEU  44          3HD2      LEU  44   1.263  -2.138   1.052
  316   HD22  LEU  44          1HD2      LEU  44   2.804  -1.523   1.642
  317   HD23  LEU  44          2HD2      LEU  44   1.439  -1.679   2.747
  318    H    ARG  45           H        ARG  45   5.246  -4.603   2.768
  319    HA   ARG  45           HA       ARG  45   7.579  -5.830   1.770
  320    HB2  ARG  45           2HB      ARG  45   6.142  -5.684   4.303
  321    HB3  ARG  45           1HB      ARG  45   7.541  -6.795   4.182
  322    HG2  ARG  45           2HG      ARG  45   8.890  -4.767   3.546
  323    HG3  ARG  45           1HG      ARG  45   7.463  -3.778   3.861
  324    HD2  ARG  45           2HD      ARG  45   7.452  -4.531   6.186
  325    HD3  ARG  45           1HD      ARG  45   8.861  -5.544   5.873
  326    HE   ARG  45           HE       ARG  45   9.463  -2.936   5.122
  327   HH11  ARG  45          1HH1      ARG  45   8.862  -4.765   8.102
  328   HH12  ARG  45          2HH1      ARG  45   9.802  -3.776   9.109
  329   HH21  ARG  45          1HH2      ARG  45  10.798  -1.523   6.521
  330   HH22  ARG  45          2HH2      ARG  45  10.935  -1.861   8.173
  331    H    LYS  46           H        LYS  46   7.924  -8.236   2.273
  332    HA   LYS  46           HA       LYS  46   5.770  -9.699   1.060
  333    HB2  LYS  46           2HB      LYS  46   8.504 -10.533   1.941
  334    HB3  LYS  46           1HB      LYS  46   7.299 -11.686   1.402
  335    HG2  LYS  46           2HG      LYS  46   7.182 -10.260  -0.721
  336    HG3  LYS  46           1HG      LYS  46   8.715  -9.572  -0.160
  337    HD2  LYS  46           2HD      LYS  46   9.741 -11.713  -0.089
  338    HD3  LYS  46           1HD      LYS  46   8.203 -12.523  -0.370
  339    HE2  LYS  46           2HE      LYS  46   8.185 -11.185  -2.575
  340    HE3  LYS  46           1HE      LYS  46   9.917 -11.003  -2.276
  341    HZ1  LYS  46           3HZ      LYS  46   9.405 -12.964  -3.621
  342    HZ2  LYS  46           1HZ      LYS  46   8.410 -13.532  -2.392
  343    HZ3  LYS  46           2HZ      LYS  46  10.069 -13.452  -2.117
  344    H    GLY  47           H        GLY  47   4.801 -11.540   1.846
  345    HA2  GLY  47           2HA      GLY  47   3.819 -12.891   3.410
  346    HA3  GLY  47           1HA      GLY  47   5.044 -12.382   4.589
  347    H    LYS  48           H        LYS  48   3.383 -10.041   2.881
  348    HA   LYS  48           HA       LYS  48   2.160  -9.001   5.261
  349    HB2  LYS  48           2HB      LYS  48   2.969  -7.320   3.926
  350    HB3  LYS  48           1HB      LYS  48   2.547  -8.131   2.447
  351    HG2  LYS  48           2HG      LYS  48   1.295  -6.082   2.676
  352    HG3  LYS  48           1HG      LYS  48   0.201  -7.447   2.776
  353    HD2  LYS  48           2HD      LYS  48   0.087  -7.212   5.186
  354    HD3  LYS  48           1HD      LYS  48   1.261  -5.891   5.134
  355    HE2  LYS  48           2HE      LYS  48  -1.101  -5.115   5.303
  356    HE3  LYS  48           1HE      LYS  48  -0.261  -4.507   3.879
  357    HZ1  LYS  48           3HZ      LYS  48  -2.548  -5.308   3.432
  358    HZ2  LYS  48           1HZ      LYS  48  -2.078  -6.863   3.876
  359    HZ3  LYS  48           2HZ      LYS  48  -1.411  -6.102   2.506
  360    HA   PRO  49           HA       PRO  49  -1.583 -11.467   4.715
  361    HB2  PRO  49           2HB      PRO  49  -2.547  -9.516   6.754
  362    HB3  PRO  49           1HB      PRO  49  -2.603 -11.292   6.794
  363    HG2  PRO  49           2HG      PRO  49  -0.895 -10.002   8.315
  364    HG3  PRO  49           1HG      PRO  49  -0.427 -11.503   7.492
  365    HD2  PRO  49           2HD      PRO  49   0.284  -8.693   6.800
  366    HD3  PRO  49           1HD      PRO  49   1.263 -10.173   6.709
  367    H    CYS  50           H        CYS  50  -2.833 -11.035   3.023
  368    HA   CYS  50           HA       CYS  50  -3.889  -8.390   2.751
  369    HB2  CYS  50           2HB      CYS  50  -3.678  -8.838   0.267
  370    HB3  CYS  50           1HB      CYS  50  -2.202  -8.580   1.180
  371    H    THR  51           H        THR  51  -5.391  -9.304   0.387
  372    HA   THR  51           HA       THR  51  -7.812  -9.908   1.582
  373    HB   THR  51           HB       THR  51  -8.363 -10.410  -0.897
  374    HG1  THR  51           1HG      THR  51  -6.075  -9.067  -1.629
  375   HG21  THR  51          3HG2      THR  51  -8.291  -8.049  -1.407
  376   HG22  THR  51          1HG2      THR  51  -7.064  -7.826  -0.157
  377   HG23  THR  51          2HG2      THR  51  -8.724  -8.257   0.307
  378    H    VAL  52           H        VAL  52  -6.107 -11.791  -0.741
  379    HA   VAL  52           HA       VAL  52  -7.605 -14.122   0.030
  380    HB   VAL  52           HB       VAL  52  -6.806 -15.225  -1.971
  381   HG11  VAL  52          1HG1      VAL  52  -7.729 -12.390  -2.420
  382   HG12  VAL  52          2HG1      VAL  52  -8.752 -13.804  -2.159
  383   HG13  VAL  52          3HG1      VAL  52  -7.791 -13.666  -3.635
  384   HG21  VAL  52          3HG2      VAL  52  -5.182 -12.721  -2.540
  385   HG22  VAL  52          1HG2      VAL  52  -5.369 -14.102  -3.607
  386   HG23  VAL  52          2HG2      VAL  52  -4.508 -14.278  -2.079
  387    H    GLY  53           H        GLY  53  -4.289 -13.164   0.285
  388    HA2  GLY  53           2HA      GLY  53  -3.862 -15.270   2.162
  389    HA3  GLY  53           1HA      GLY  53  -3.000 -15.447   0.628
  390    H    PHE  54           H        PHE  54  -1.044 -14.647   0.543
  391    HA   PHE  54           HA       PHE  54  -0.380 -12.386   2.302
  392    HB2  PHE  54           2HB      PHE  54   1.333 -14.780   1.694
  393    HB3  PHE  54           1HB      PHE  54   1.931 -13.328   2.509
  394    HD1  PHE  54           1HD      PHE  54   0.865 -12.704   4.723
  395    HD2  PHE  54           2HD      PHE  54   0.304 -16.499   2.885
  396    HE1  PHE  54           1HE      PHE  54   0.166 -13.643   6.885
  397    HE2  PHE  54           2HE      PHE  54  -0.399 -17.445   5.044
  398    HZ   PHE  54           HZ       PHE  54  -0.469 -16.015   7.048
  399    H    CYS  55           H        CYS  55   1.239 -11.052   1.558
  400    HA   CYS  55           HA       CYS  55   1.172 -10.721  -1.320
  401    HB2  CYS  55           2HB      CYS  55   2.453  -9.050   0.802
  402    HB3  CYS  55           1HB      CYS  55   2.255  -8.600  -0.884
  403    H    ASP  56           H        ASP  56   2.678 -11.380  -2.595
  404    HA   ASP  56           HA       ASP  56   5.308 -11.540  -1.406
  405    HB2  ASP  56           2HB      ASP  56   4.354 -13.845  -1.796
  406    HB3  ASP  56           1HB      ASP  56   4.391 -13.539  -3.528
  407    H    MET  57           H        MET  57   6.399 -12.425  -4.227
  408    HA   MET  57           HA       MET  57   8.058 -10.530  -4.880
  409    HB2  MET  57           2HB      MET  57   6.545 -12.210  -6.796
  410    HB3  MET  57           1HB      MET  57   7.901 -11.218  -7.306
  411    HG2  MET  57           2HG      MET  57   7.929 -13.522  -5.363
  412    HG3  MET  57           1HG      MET  57   8.529 -13.543  -7.016
  413    HE1  MET  57           3HE      MET  57  10.360 -14.688  -4.867
  414    HE2  MET  57           1HE      MET  57  11.891 -13.872  -5.186
  415    HE3  MET  57           2HE      MET  57  10.885 -14.417  -6.529
  416    H    ASN  58           H        ASN  58   4.861 -10.394  -6.515
  417    HA   ASN  58           HA       ASN  58   5.860  -7.912  -7.798
  418    HB2  ASN  58           2HB      ASN  58   5.142  -9.991  -9.157
  419    HB3  ASN  58           1HB      ASN  58   3.499  -9.539  -8.737
  420   HD21  ASN  58          1HD2      ASN  58   2.614  -7.643  -9.698
  421   HD22  ASN  58          2HD2      ASN  58   3.354  -6.913 -11.083
  422    H    GLY  59           H        GLY  59   4.428  -8.256  -5.104
  423    HA2  GLY  59           2HA      GLY  59   2.816  -6.959  -3.922
  424    HA3  GLY  59           1HA      GLY  59   2.634  -6.005  -5.405
  425    H    LYS  60           H        LYS  60   2.411  -9.382  -5.220
  426    HA   LYS  60           HA       LYS  60  -0.488  -9.223  -5.649
  427    HB2  LYS  60           2HB      LYS  60   1.554 -11.165  -6.636
  428    HB3  LYS  60           1HB      LYS  60  -0.122 -11.625  -6.425
  429    HG2  LYS  60           2HG      LYS  60  -0.650  -9.643  -7.910
  430    HG3  LYS  60           1HG      LYS  60   1.066  -9.684  -8.367
  431    HD2  LYS  60           2HD      LYS  60   0.055 -11.065  -9.981
  432    HD3  LYS  60           1HD      LYS  60   0.649 -12.210  -8.783
  433    HE2  LYS  60           2HE      LYS  60  -2.218 -11.263  -9.159
  434    HE3  LYS  60           1HE      LYS  60  -1.592 -12.872  -9.463
  435    HZ1  LYS  60           3HZ      LYS  60  -2.054 -11.546  -6.844
  436    HZ2  LYS  60           1HZ      LYS  60  -1.176 -13.000  -6.956
  437    HZ3  LYS  60           2HZ      LYS  60  -2.789 -12.931  -7.406
  438    H    CYS  61           H        CYS  61  -1.700 -10.603  -4.839
  439    HA   CYS  61           HA       CYS  61  -0.831 -11.454  -2.209
  440    HB2  CYS  61           2HB      CYS  61  -2.629  -9.791  -2.585
  441    HB3  CYS  61           1HB      CYS  61  -3.496 -11.084  -3.420
  442    H    GLU  62           H        GLU  62  -0.693 -13.489  -1.990
  443    HA   GLU  62           HA       GLU  62  -1.919 -15.324  -3.861
  444    HB2  GLU  62           2HB      GLU  62   0.754 -15.730  -2.479
  445    HB3  GLU  62           1HB      GLU  62   0.043 -16.760  -3.700
  446    HG2  GLU  62           2HG      GLU  62   1.104 -13.959  -4.141
  447    HG3  GLU  62           1HG      GLU  62   1.932 -15.448  -4.561
  Start of MODEL   11
    1    H    PHE   1           1HT      PHE   1   5.374   4.690   5.910
    2    HA   PHE   1           HA       PHE   1   6.149   4.491   3.095
    3    HB2  PHE   1           2HB      PHE   1   4.484   2.581   2.966
    4    HB3  PHE   1           1HB      PHE   1   6.007   2.208   3.756
    5    HD1  PHE   1           1HD      PHE   1   6.021   1.984   6.259
    6    HD2  PHE   1           2HD      PHE   1   2.426   2.330   4.014
    7    HE1  PHE   1           1HE      PHE   1   4.756   1.057   8.154
    8    HE2  PHE   1           2HE      PHE   1   1.158   1.414   5.906
    9    HZ   PHE   1           HZ       PHE   1   2.318   0.777   7.979
   10    H    CYS   2           H        CYS   2   3.407   4.985   5.300
   11    HA   CYS   2           HA       CYS   2   2.506   6.823   3.245
   12    HB2  CYS   2           2HB      CYS   2   1.025   5.561   5.545
   13    HB3  CYS   2           1HB      CYS   2   0.350   6.859   4.567
   14    H    GLU   3           H        GLU   3   3.184   6.482   6.624
   15    HA   GLU   3           HA       GLU   3   2.552   9.048   7.515
   16    HB2  GLU   3           2HB      GLU   3   4.560   8.105   9.239
   17    HB3  GLU   3           1HB      GLU   3   2.832   8.037   9.478
   18    HG2  GLU   3           2HG      GLU   3   4.047   5.874   9.842
   19    HG3  GLU   3           1HG      GLU   3   2.726   5.785   8.688
   20    H    ARG   4           H        ARG   4   5.848   7.742   7.210
   21    HA   ARG   4           HA       ARG   4   7.242  10.000   7.762
   22    HB2  ARG   4           2HB      ARG   4   8.264   7.841   7.612
   23    HB3  ARG   4           1HB      ARG   4   7.938   7.758   5.891
   24    HG2  ARG   4           2HG      ARG   4   9.454   9.744   5.617
   25    HG3  ARG   4           1HG      ARG   4   9.910   9.527   7.309
   26    HD2  ARG   4           2HD      ARG   4  11.510   8.417   5.846
   27    HD3  ARG   4           1HD      ARG   4  10.626   7.232   6.809
   28    HE   ARG   4           HE       ARG   4   9.172   7.353   4.535
   29   HH11  ARG   4          1HH1      ARG   4  12.612   6.777   5.087
   30   HH12  ARG   4          2HH1      ARG   4  12.834   5.835   3.681
   31   HH21  ARG   4          1HH2      ARG   4   9.416   6.114   2.688
   32   HH22  ARG   4          2HH2      ARG   4  10.907   5.429   2.209
   33    H    GLU   5           H        GLU   5   6.537   8.849   4.448
   34    HA   GLU   5           HA       GLU   5   7.668  11.077   3.252
   35    HB2  GLU   5           2HB      GLU   5   6.646   9.914   1.194
   36    HB3  GLU   5           1HB      GLU   5   8.048   9.264   2.114
   37    HG2  GLU   5           2HG      GLU   5   5.254   8.256   2.545
   38    HG3  GLU   5           1HG      GLU   5   6.255   7.614   1.248
   39    H    GLN   6           H        GLN   6   4.222  10.040   3.252
   40    HA   GLN   6           HA       GLN   6   3.760  12.715   2.168
   41    HB2  GLN   6           2HB      GLN   6   1.633  11.614   1.112
   42    HB3  GLN   6           1HB      GLN   6   3.191  11.560   0.266
   43    HG2  GLN   6           2HG      GLN   6   3.426   9.242   1.119
   44    HG3  GLN   6           1HG      GLN   6   1.820   9.377   1.853
   45   HE21  GLN   6          1HE2      GLN   6   2.776  10.770  -1.230
   46   HE22  GLN   6          2HE2      GLN   6   1.786   9.751  -2.204
   47    H    GLN   7           H        GLN   7   3.580  11.166   4.664
   48    HA   GLN   7           HA       GLN   7   2.771  11.276   6.470
   49    HB2  GLN   7           2HB      GLN   7   1.891  14.021   5.642
   50    HB3  GLN   7           1HB      GLN   7   1.795  13.478   7.313
   51    HG2  GLN   7           2HG      GLN   7   4.172  13.078   7.368
   52    HG3  GLN   7           1HG      GLN   7   4.307  13.481   5.662
   53   HE21  GLN   7          1HE2      GLN   7   5.766  15.062   6.068
   54   HE22  GLN   7          2HE2      GLN   7   5.342  16.585   6.791
   55    H    LEU   8           H        LEU   8   1.000   9.969   4.711
   56    HA   LEU   8           HA       LEU   8  -1.639  10.571   5.778
   57    HB2  LEU   8           2HB      LEU   8  -0.803   8.466   3.791
   58    HB3  LEU   8           1HB      LEU   8  -2.400   8.568   4.468
   59    HG   LEU   8           HG       LEU   8  -2.751   9.460   2.490
   60   HD11  LEU   8          1HD1      LEU   8  -2.937  11.852   2.523
   61   HD12  LEU   8          2HD1      LEU   8  -1.955  11.879   4.001
   62   HD13  LEU   8          3HD1      LEU   8  -3.501  11.015   3.974
   63   HD21  LEU   8          3HD2      LEU   8   0.035  10.621   2.424
   64   HD22  LEU   8          1HD2      LEU   8  -1.204  10.779   1.155
   65   HD23  LEU   8          2HD2      LEU   8  -0.650   9.178   1.652
   66    H    GLU   9           H        GLU   9  -2.798   8.843   6.510
   67    HA   GLU   9           HA       GLU   9  -1.443   7.068   8.365
   68    HB2  GLU   9           2HB      GLU   9  -3.756   8.202   8.664
   69    HB3  GLU   9           1HB      GLU   9  -4.245   7.065   7.405
   70    HG2  GLU   9           2HG      GLU   9  -3.740   5.203   8.861
   71    HG3  GLU   9           1HG      GLU   9  -3.340   6.341  10.159
   72    H    SER  10           H        SER  10  -1.601   4.711   7.948
   73    HA   SER  10           HA       SER  10  -1.478   4.048   5.206
   74    HB2  SER  10           2HB      SER  10  -0.768   1.982   6.169
   75    HB3  SER  10           1HB      SER  10  -0.007   3.482   6.868
   76    HG   SER  10           HG       SER  10  -2.245   2.546   8.180
   77    H    CYS  11           H        CYS  11  -2.839   2.290   4.354
   78    HA   CYS  11           HA       CYS  11  -5.171   1.582   5.921
   79    HB2  CYS  11           2HB      CYS  11  -6.833   2.698   4.652
   80    HB3  CYS  11           1HB      CYS  11  -5.517   3.801   4.395
   81    H    ALA  12           H        ALA  12  -6.593   0.014   4.390
   82    HA   ALA  12           HA       ALA  12  -4.714  -1.563   2.808
   83    HB1  ALA  12           1HB      ALA  12  -6.801  -2.595   4.730
   84    HB2  ALA  12           2HB      ALA  12  -5.056  -2.642   4.982
   85    HB3  ALA  12           3HB      ALA  12  -5.786  -3.595   3.689
   86    H    CYS  13           H        CYS  13  -5.406  -1.528   0.778
   87    HA   CYS  13           HA       CYS  13  -8.022  -0.782  -0.019
   88    HB2  CYS  13           2HB      CYS  13  -5.765  -2.090  -1.530
   89    HB3  CYS  13           1HB      CYS  13  -7.197  -1.357  -2.246
   90    H    ASN  14           H        ASN  14  -9.632  -1.908  -0.922
   91    HA   ASN  14           HA       ASN  14 -10.265  -4.375   0.332
   92    HB2  ASN  14           2HB      ASN  14 -11.727  -3.196  -2.029
   93    HB3  ASN  14           1HB      ASN  14 -12.386  -4.139  -0.703
   94   HD21  ASN  14          1HD2      ASN  14 -11.302  -1.044  -1.778
   95   HD22  ASN  14          2HD2      ASN  14 -11.990  -0.123  -0.472
   96    H    GLU  15           H        GLU  15  -9.245  -3.188  -2.702
   97    HA   GLU  15           HA       GLU  15  -9.783  -5.276  -4.320
   98    HB2  GLU  15           2HB      GLU  15  -7.481  -3.384  -4.645
   99    HB3  GLU  15           1HB      GLU  15  -8.317  -4.237  -5.932
  100    HG2  GLU  15           2HG      GLU  15  -9.065  -2.043  -6.097
  101    HG3  GLU  15           1HG      GLU  15 -10.369  -2.842  -5.210
  102    H    THR  16           H        THR  16  -8.760  -7.262  -4.446
  103    HA   THR  16           HA       THR  16  -6.823  -8.249  -2.818
  104    HB   THR  16           HB       THR  16  -7.446  -8.998  -5.657
  105    HG1  THR  16           1HG      THR  16  -8.373  -9.885  -3.136
  106   HG21  THR  16          3HG2      THR  16  -5.939 -10.614  -3.564
  107   HG22  THR  16          1HG2      THR  16  -5.249  -9.808  -4.986
  108   HG23  THR  16          2HG2      THR  16  -6.384 -11.160  -5.185
  109    H    ASP  17           H        ASP  17  -6.348  -6.824  -5.977
  110    HA   ASP  17           HA       ASP  17  -3.695  -7.453  -6.123
  111    HB2  ASP  17           2HB      ASP  17  -4.949  -6.852  -8.095
  112    HB3  ASP  17           1HB      ASP  17  -5.226  -5.245  -7.392
  113    H    ASN  18           H        ASN  18  -5.415  -4.489  -5.158
  114    HA   ASN  18           HA       ASN  18  -3.076  -2.964  -4.759
  115    HB2  ASN  18           2HB      ASN  18  -5.917  -2.377  -3.970
  116    HB3  ASN  18           1HB      ASN  18  -4.595  -1.322  -3.540
  117   HD21  ASN  18          1HD2      ASN  18  -6.896  -0.745  -5.171
  118   HD22  ASN  18          2HD2      ASN  18  -6.277  -0.292  -6.722
  119    H    SER  19           H        SER  19  -4.707  -5.118  -2.876
  120    HA   SER  19           HA       SER  19  -3.752  -4.048  -0.390
  121    HB2  SER  19           2HB      SER  19  -4.478  -6.163   0.694
  122    HB3  SER  19           1HB      SER  19  -5.737  -5.432  -0.295
  123    HG   SER  19           HG       SER  19  -4.448  -7.099  -1.887
  124    H    CYS  20           H        CYS  20  -2.081  -5.438  -2.834
  125    HA   CYS  20           HA       CYS  20  -0.030  -6.486  -1.023
  126    HB2  CYS  20           2HB      CYS  20  -0.878  -7.711  -3.241
  127    HB3  CYS  20           1HB      CYS  20   0.217  -6.552  -4.005
  128    H    LYS  21           H        LYS  21  -0.995  -3.601  -2.058
  129    HA   LYS  21           HA       LYS  21   1.699  -2.388  -2.095
  130    HB2  LYS  21           2HB      LYS  21  -0.826  -1.652  -3.507
  131    HB3  LYS  21           1HB      LYS  21   0.574  -0.590  -3.366
  132    HG2  LYS  21           2HG      LYS  21   0.780  -1.337  -5.555
  133    HG3  LYS  21           1HG      LYS  21   1.729  -2.543  -4.687
  134    HD2  LYS  21           2HD      LYS  21  -0.093  -4.123  -4.780
  135    HD3  LYS  21           1HD      LYS  21  -1.154  -2.904  -5.494
  136    HE2  LYS  21           2HE      LYS  21   0.348  -2.762  -7.449
  137    HE3  LYS  21           1HE      LYS  21   1.356  -4.022  -6.750
  138    HZ1  LYS  21           3HZ      LYS  21  -1.500  -4.356  -7.587
  139    HZ2  LYS  21           1HZ      LYS  21  -0.555  -5.571  -6.955
  140    HZ3  LYS  21           2HZ      LYS  21  -0.220  -4.910  -8.440
  141    H    VAL  22           H        VAL  22   1.857  -0.547  -1.507
  142    HA   VAL  22           HA       VAL  22   0.793  -0.409   1.090
  143    HB   VAL  22           HB       VAL  22   2.654   1.346  -0.489
  144   HG11  VAL  22          1HG1      VAL  22   3.118   2.444   1.647
  145   HG12  VAL  22          2HG1      VAL  22   1.832   1.468   2.409
  146   HG13  VAL  22          3HG1      VAL  22   1.443   2.596   1.108
  147   HG21  VAL  22          3HG2      VAL  22   3.385  -0.996   0.025
  148   HG22  VAL  22          1HG2      VAL  22   3.127  -0.657   1.725
  149   HG23  VAL  22          2HG2      VAL  22   4.384   0.231   0.867
  150    H    CYS  23           H        CYS  23  -1.070   0.171   1.118
  151    HA   CYS  23           HA       CYS  23  -2.034   2.457  -0.465
  152    HB2  CYS  23           2HB      CYS  23  -3.697   0.811   1.434
  153    HB3  CYS  23           1HB      CYS  23  -4.204   2.039   0.263
  154    H    CYS  24           H        CYS  24  -2.813   4.369   0.364
  155    HA   CYS  24           HA       CYS  24  -2.082   4.906   3.106
  156    HB2  CYS  24           2HB      CYS  24  -1.763   6.592   0.613
  157    HB3  CYS  24           1HB      CYS  24  -1.626   7.304   2.204
  158    H    ARG  25           H        ARG  25  -3.381   6.954   3.786
  159    HA   ARG  25           HA       ARG  25  -6.080   6.146   3.058
  160    HB2  ARG  25           2HB      ARG  25  -5.213   5.397   5.325
  161    HB3  ARG  25           1HB      ARG  25  -5.056   7.089   5.686
  162    HG2  ARG  25           2HG      ARG  25  -7.710   6.307   4.804
  163    HG3  ARG  25           1HG      ARG  25  -7.172   5.585   6.316
  164    HD2  ARG  25           2HD      ARG  25  -6.637   7.799   7.237
  165    HD3  ARG  25           1HD      ARG  25  -7.005   8.528   5.673
  166    HE   ARG  25           HE       ARG  25  -9.237   8.249   6.046
  167   HH11  ARG  25          1HH1      ARG  25  -7.448   6.919   8.834
  168   HH12  ARG  25          2HH1      ARG  25  -8.541   7.320  10.000
  169   HH21  ARG  25          1HH2      ARG  25 -10.912   8.804   7.694
  170   HH22  ARG  25          2HH2      ARG  25 -10.631   8.406   9.332
  171    H    ASP  26           H        ASP  26  -7.261   7.619   2.205
  172    HA   ASP  26           HA       ASP  26  -6.389  10.273   1.912
  173    HB2  ASP  26           2HB      ASP  26  -7.367   8.957   0.084
  174    HB3  ASP  26           1HB      ASP  26  -8.769   8.690   1.122
  175    H    LEU  27           H        LEU  27  -8.240  11.650   2.047
  176    HA   LEU  27           HA       LEU  27  -8.483  12.312   4.741
  177    HB2  LEU  27           2HB      LEU  27  -9.452  13.536   2.261
  178    HB3  LEU  27           1HB      LEU  27  -9.689  14.382   3.804
  179    HG   LEU  27           HG       LEU  27  -7.047  14.220   3.845
  180   HD11  LEU  27          1HD1      LEU  27  -7.620  13.905   0.912
  181   HD12  LEU  27          2HD1      LEU  27  -6.857  12.722   1.950
  182   HD13  LEU  27          3HD1      LEU  27  -6.027  14.254   1.607
  183   HD21  LEU  27          3HD2      LEU  27  -8.512  16.071   1.973
  184   HD22  LEU  27          1HD2      LEU  27  -6.892  16.341   2.618
  185   HD23  LEU  27          2HD2      LEU  27  -8.281  16.309   3.705
  186    H    SER  28           H        SER  28 -10.539  11.346   2.156
  187    HA   SER  28           HA       SER  28 -12.953  11.642   3.634
  188    HB2  SER  28           2HB      SER  28 -12.938  12.374   1.313
  189    HB3  SER  28           1HB      SER  28 -12.395  10.792   0.777
  190    HG   SER  28           HG       SER  28 -14.518  10.227   2.028
  191    H    GLY  29           H        GLY  29 -10.561   9.577   3.701
  192    HA2  GLY  29           2HA      GLY  29 -10.315   7.675   4.556
  193    HA3  GLY  29           1HA      GLY  29 -12.073   7.416   4.702
  194    H    ARG  30           H        ARG  30 -10.478   8.209   1.755
  195    HA   ARG  30           HA       ARG  30 -11.405   5.791   0.463
  196    HB2  ARG  30           2HB      ARG  30  -9.569   7.916  -0.657
  197    HB3  ARG  30           1HB      ARG  30 -10.532   6.760  -1.548
  198    HG2  ARG  30           2HG      ARG  30 -12.548   7.904  -1.013
  199    HG3  ARG  30           1HG      ARG  30 -11.709   8.934   0.154
  200    HD2  ARG  30           2HD      ARG  30 -10.310   9.804  -1.708
  201    HD3  ARG  30           1HD      ARG  30 -11.297   8.879  -2.832
  202    HE   ARG  30           HE       ARG  30 -13.194  10.226  -1.994
  203   HH11  ARG  30          1HH1      ARG  30  -9.896  11.572  -1.546
  204   HH12  ARG  30          2HH1      ARG  30 -10.320  13.152  -1.848
  205   HH21  ARG  30          1HH2      ARG  30 -13.815  12.495  -2.354
  206   HH22  ARG  30          2HH2      ARG  30 -12.629  13.718  -2.309
  207    H    CYS  31           H        CYS  31 -10.059   4.085  -0.102
  208    HA   CYS  31           HA       CYS  31  -7.364   4.258   0.852
  209    HB2  CYS  31           2HB      CYS  31  -9.121   2.000   0.097
  210    HB3  CYS  31           1HB      CYS  31  -7.392   1.790  -0.191
  211    H    VAL  32           H        VAL  32  -5.775   4.842  -0.285
  212    HA   VAL  32           HA       VAL  32  -6.047   4.574  -3.054
  213    HB   VAL  32           HB       VAL  32  -6.471   6.878  -2.730
  214   HG11  VAL  32          1HG1      VAL  32  -5.944   7.403  -0.523
  215   HG12  VAL  32          2HG1      VAL  32  -4.746   8.334  -1.426
  216   HG13  VAL  32          3HG1      VAL  32  -4.300   6.787  -0.690
  217   HG21  VAL  32          3HG2      VAL  32  -4.875   6.492  -4.530
  218   HG22  VAL  32          1HG2      VAL  32  -3.536   6.654  -3.396
  219   HG23  VAL  32          2HG2      VAL  32  -4.560   8.048  -3.755
  220    HA   PRO  33           HA       PRO  33  -2.157   2.387  -2.368
  221    HB2  PRO  33           2HB      PRO  33  -1.398   2.430  -5.053
  222    HB3  PRO  33           1HB      PRO  33  -2.410   1.174  -4.316
  223    HG2  PRO  33           2HG      PRO  33  -3.219   3.499  -5.953
  224    HG3  PRO  33           1HG      PRO  33  -3.915   1.869  -5.875
  225    HD2  PRO  33           2HD      PRO  33  -5.090   3.966  -4.706
  226    HD3  PRO  33           1HD      PRO  33  -5.165   2.336  -4.001
  227    H    TYR  34           H        TYR  34  -0.276   3.294  -1.728
  228    HA   TYR  34           HA       TYR  34   0.181   5.982  -2.055
  229    HB2  TYR  34           2HB      TYR  34   1.212   5.438  -0.239
  230    HB3  TYR  34           1HB      TYR  34   1.515   3.761  -0.702
  231    HD1  TYR  34           1HD      TYR  34   2.811   7.289  -1.542
  232    HD2  TYR  34           2HD      TYR  34   3.813   3.153  -0.795
  233    HE1  TYR  34           1HE      TYR  34   5.041   7.778  -1.796
  234    HE2  TYR  34           2HE      TYR  34   6.087   3.710  -1.035
  235    HH   TYR  34           HH       TYR  34   7.470   5.371  -2.113
  236    H    VAL  35           H        VAL  35   1.023   7.218  -3.423
  237    HA   VAL  35           HA       VAL  35   3.255   6.432  -4.976
  238    HB   VAL  35           HB       VAL  35   1.647   8.373  -6.253
  239   HG11  VAL  35          1HG1      VAL  35   3.506   7.448  -7.187
  240   HG12  VAL  35          2HG1      VAL  35   2.138   7.208  -8.274
  241   HG13  VAL  35          3HG1      VAL  35   2.776   5.846  -7.323
  242   HG21  VAL  35          3HG2      VAL  35   0.347   5.648  -6.275
  243   HG22  VAL  35          1HG2      VAL  35  -0.171   7.040  -7.238
  244   HG23  VAL  35          2HG2      VAL  35  -0.277   7.073  -5.457
  245    H    ASP  36           H        ASP  36   4.592   8.017  -4.647
  246    HA   ASP  36           HA       ASP  36   3.558  10.584  -3.617
  247    HB2  ASP  36           2HB      ASP  36   4.950   9.564  -2.020
  248    HB3  ASP  36           1HB      ASP  36   6.261   9.256  -3.204
  249    H    ALA  37           H        ALA  37   4.621  12.105  -4.003
  250    HA   ALA  37           HA       ALA  37   3.144  12.845  -5.970
  251    HB1  ALA  37           1HB      ALA  37   5.633  14.343  -5.402
  252    HB2  ALA  37           2HB      ALA  37   4.278  14.005  -4.327
  253    HB3  ALA  37           3HB      ALA  37   3.993  14.983  -5.797
  254    H    GLU  38           H        GLU  38   6.560  12.018  -6.753
  255    HA   GLU  38           HA       GLU  38   6.342  12.763  -9.375
  256    HB2  GLU  38           2HB      GLU  38   8.185  11.245  -7.767
  257    HB3  GLU  38           1HB      GLU  38   8.647  11.730  -9.426
  258    HG2  GLU  38           2HG      GLU  38   9.527  13.608  -8.407
  259    HG3  GLU  38           1HG      GLU  38   7.837  14.027  -8.058
  260    H    GLN  39           H        GLN  39   4.791  10.380  -7.952
  261    HA   GLN  39           HA       GLN  39   3.793   8.672  -8.467
  262    HB2  GLN  39           2HB      GLN  39   5.233   9.198 -10.857
  263    HB3  GLN  39           1HB      GLN  39   4.186   7.720 -10.874
  264    HG2  GLN  39           2HG      GLN  39   2.335   9.289 -10.230
  265    HG3  GLN  39           1HG      GLN  39   3.484  10.613 -10.369
  266   HE21  GLN  39          1HE2      GLN  39   0.971  10.154 -11.790
  267   HE22  GLN  39          2HE2      GLN  39   1.378  10.117 -13.478
  268    H    LYS  40           H        LYS  40   6.024   8.639  -6.964
  269    HA   LYS  40           HA       LYS  40   7.684   6.336  -7.364
  270    HB2  LYS  40           2HB      LYS  40   6.773   7.747  -4.912
  271    HB3  LYS  40           1HB      LYS  40   7.993   6.450  -5.034
  272    HG2  LYS  40           2HG      LYS  40   9.548   7.833  -5.827
  273    HG3  LYS  40           1HG      LYS  40   8.359   8.848  -6.673
  274    HD2  LYS  40           2HD      LYS  40   7.655   9.885  -4.617
  275    HD3  LYS  40           1HD      LYS  40   8.660   8.799  -3.662
  276    HE2  LYS  40           2HE      LYS  40  10.605   9.934  -4.241
  277    HE3  LYS  40           1HE      LYS  40   9.873  10.642  -5.681
  278    HZ1  LYS  40           3HZ      LYS  40   8.784  11.411  -3.016
  279    HZ2  LYS  40           1HZ      LYS  40   8.695  12.121  -4.496
  280    HZ3  LYS  40           2HZ      LYS  40  10.126  12.259  -3.723
  281    H    ASN  41           H        ASN  41   7.178   4.351  -6.790
  282    HA   ASN  41           HA       ASN  41   4.510   3.889  -5.639
  283    HB2  ASN  41           2HB      ASN  41   5.048   3.327  -8.093
  284    HB3  ASN  41           1HB      ASN  41   6.019   2.068  -7.333
  285   HD21  ASN  41          1HD2      ASN  41   2.693   3.186  -7.644
  286   HD22  ASN  41          2HD2      ASN  41   1.943   1.678  -7.276
  287    H    LEU  42           H        LEU  42   4.464   1.609  -4.801
  288    HA   LEU  42           HA       LEU  42   6.718   0.374  -3.736
  289    HB2  LEU  42           2HB      LEU  42   7.010   2.229  -2.309
  290    HB3  LEU  42           1HB      LEU  42   5.274   2.327  -2.053
  291    HG   LEU  42           HG       LEU  42   5.275   0.431  -0.828
  292   HD11  LEU  42          1HD1      LEU  42   7.237  -0.818  -1.674
  293   HD12  LEU  42          2HD1      LEU  42   7.440  -0.636   0.069
  294   HD13  LEU  42          3HD1      LEU  42   8.330   0.414  -1.040
  295   HD21  LEU  42          3HD2      LEU  42   5.390   2.273   0.475
  296   HD22  LEU  42          1HD2      LEU  42   7.150   2.490   0.281
  297   HD23  LEU  42          2HD2      LEU  42   6.492   1.144   1.234
  298    H    PHE  43           H        PHE  43   5.599  -1.491  -4.446
  299    HA   PHE  43           HA       PHE  43   3.254  -2.215  -3.282
  300    HB2  PHE  43           2HB      PHE  43   3.733  -4.347  -4.471
  301    HB3  PHE  43           1HB      PHE  43   4.118  -2.859  -5.366
  302    HD1  PHE  43           2HD      PHE  43   6.257  -2.289  -6.111
  303    HD2  PHE  43           1HD      PHE  43   5.666  -5.757  -3.720
  304    HE1  PHE  43           2HE      PHE  43   8.527  -3.045  -6.661
  305    HE2  PHE  43           1HE      PHE  43   7.935  -6.517  -4.272
  306    HZ   PHE  43           HZ       PHE  43   9.370  -5.165  -5.739
  307    H    LEU  44           H        LEU  44   3.160  -4.109  -1.621
  308    HA   LEU  44           HA       LEU  44   4.701  -3.509   0.452
  309    HB2  LEU  44           2HB      LEU  44   2.779  -5.729  -0.048
  310    HB3  LEU  44           1HB      LEU  44   3.654  -5.659   1.462
  311    HG   LEU  44           HG       LEU  44   1.849  -3.447   0.458
  312   HD11  LEU  44          1HD1      LEU  44   0.588  -5.501   0.900
  313   HD12  LEU  44          2HD1      LEU  44   0.262  -4.272   2.122
  314   HD13  LEU  44          3HD1      LEU  44   1.339  -5.620   2.490
  315   HD21  LEU  44          3HD2      LEU  44   1.999  -2.661   2.763
  316   HD22  LEU  44          1HD2      LEU  44   3.600  -2.728   2.026
  317   HD23  LEU  44          2HD2      LEU  44   3.096  -3.984   3.154
  318    H    ARG  45           H        ARG  45   5.645  -5.661   1.757
  319    HA   ARG  45           HA       ARG  45   7.510  -6.983   0.035
  320    HB2  ARG  45           2HB      ARG  45   7.339  -6.254   2.806
  321    HB3  ARG  45           1HB      ARG  45   8.075  -7.847   2.529
  322    HG2  ARG  45           2HG      ARG  45   9.835  -6.170   2.736
  323    HG3  ARG  45           1HG      ARG  45   9.779  -6.759   1.086
  324    HD2  ARG  45           2HD      ARG  45   8.482  -4.186   1.984
  325    HD3  ARG  45           1HD      ARG  45  10.137  -4.277   1.396
  326    HE   ARG  45           HE       ARG  45   7.863  -5.141  -0.269
  327   HH11  ARG  45          1HH1      ARG  45  10.762  -3.136   0.136
  328   HH12  ARG  45          2HH1      ARG  45  10.677  -2.453  -1.418
  329   HH21  ARG  45          1HH2      ARG  45   7.733  -4.224  -2.333
  330   HH22  ARG  45          2HH2      ARG  45   8.878  -3.105  -2.905
  331    H    LYS  46           H        LYS  46   7.924  -9.306   0.578
  332    HA   LYS  46           HA       LYS  46   5.535 -10.772   0.249
  333    HB2  LYS  46           2HB      LYS  46   6.960 -12.823   0.325
  334    HB3  LYS  46           1HB      LYS  46   7.466 -11.635  -0.860
  335    HG2  LYS  46           2HG      LYS  46   9.303 -10.951   0.502
  336    HG3  LYS  46           1HG      LYS  46   8.712 -11.889   1.863
  337    HD2  LYS  46           2HD      LYS  46  10.646 -12.968   0.765
  338    HD3  LYS  46           1HD      LYS  46   9.207 -13.971   0.687
  339    HE2  LYS  46           2HE      LYS  46   9.844 -12.172  -1.619
  340    HE3  LYS  46           1HE      LYS  46  10.787 -13.640  -1.408
  341    HZ1  LYS  46           3HZ      LYS  46   8.776 -13.826  -2.897
  342    HZ2  LYS  46           1HZ      LYS  46   7.790 -13.632  -1.608
  343    HZ3  LYS  46           2HZ      LYS  46   8.761 -14.962  -1.661
  344    H    GLY  47           H        GLY  47   4.256 -11.747   1.513
  345    HA2  GLY  47           2HA      GLY  47   3.648 -13.154   3.264
  346    HA3  GLY  47           1HA      GLY  47   5.183 -12.812   4.075
  347    H    LYS  48           H        LYS  48   3.331 -10.181   2.824
  348    HA   LYS  48           HA       LYS  48   2.546  -9.544   5.518
  349    HB2  LYS  48           2HB      LYS  48   3.050  -8.079   3.064
  350    HB3  LYS  48           1HB      LYS  48   1.639  -7.473   3.930
  351    HG2  LYS  48           2HG      LYS  48   3.277  -6.118   4.845
  352    HG3  LYS  48           1HG      LYS  48   3.329  -7.450   5.978
  353    HD2  LYS  48           2HD      LYS  48   5.233  -7.031   3.654
  354    HD3  LYS  48           1HD      LYS  48   5.568  -6.606   5.322
  355    HE2  LYS  48           2HE      LYS  48   5.142  -9.381   4.209
  356    HE3  LYS  48           1HE      LYS  48   6.680  -8.678   4.686
  357    HZ1  LYS  48           3HZ      LYS  48   5.828 -10.185   6.327
  358    HZ2  LYS  48           1HZ      LYS  48   4.402  -9.319   6.480
  359    HZ3  LYS  48           2HZ      LYS  48   5.868  -8.632   6.998
  360    HA   PRO  49           HA       PRO  49  -1.459 -11.269   4.654
  361    HB2  PRO  49           2HB      PRO  49  -2.459  -9.428   6.740
  362    HB3  PRO  49           1HB      PRO  49  -2.511 -11.201   6.702
  363    HG2  PRO  49           2HG      PRO  49  -0.885  -9.949   8.366
  364    HG3  PRO  49           1HG      PRO  49  -0.396 -11.443   7.543
  365    HD2  PRO  49           2HD      PRO  49   0.370  -8.630   6.911
  366    HD3  PRO  49           1HD      PRO  49   1.351 -10.115   6.923
  367    H    CYS  50           H        CYS  50  -2.718 -10.693   3.048
  368    HA   CYS  50           HA       CYS  50  -3.580  -7.961   2.881
  369    HB2  CYS  50           2HB      CYS  50  -3.451  -8.124   0.432
  370    HB3  CYS  50           1HB      CYS  50  -1.886  -8.458   1.158
  371    H    THR  51           H        THR  51  -5.377  -8.542   0.714
  372    HA   THR  51           HA       THR  51  -7.716  -9.173   1.983
  373    HB   THR  51           HB       THR  51  -8.496  -9.678  -0.419
  374    HG1  THR  51           1HG      THR  51  -6.031  -8.534  -1.137
  375   HG21  THR  51          3HG2      THR  51  -8.661  -7.484   0.728
  376   HG22  THR  51          1HG2      THR  51  -8.321  -7.343  -1.014
  377   HG23  THR  51          2HG2      THR  51  -7.010  -7.157   0.144
  378    H    VAL  52           H        VAL  52  -6.277 -11.151  -0.409
  379    HA   VAL  52           HA       VAL  52  -7.885 -13.441   0.359
  380    HB   VAL  52           HB       VAL  52  -7.081 -14.517  -1.681
  381   HG11  VAL  52          1HG1      VAL  52  -8.075 -12.871  -3.264
  382   HG12  VAL  52          2HG1      VAL  52  -8.032 -11.666  -1.969
  383   HG13  VAL  52          3HG1      VAL  52  -9.034 -13.104  -1.802
  384   HG21  VAL  52          3HG2      VAL  52  -5.548 -11.969  -2.192
  385   HG22  VAL  52          1HG2      VAL  52  -5.610 -13.385  -3.224
  386   HG23  VAL  52          2HG2      VAL  52  -4.789 -13.469  -1.653
  387    H    GLY  53           H        GLY  53  -4.827 -12.504   1.370
  388    HA2  GLY  53           2HA      GLY  53  -4.201 -14.579   2.822
  389    HA3  GLY  53           1HA      GLY  53  -3.630 -15.105   1.229
  390    H    PHE  54           H        PHE  54  -1.514 -14.728   0.952
  391    HA   PHE  54           HA       PHE  54  -0.442 -12.443   2.383
  392    HB2  PHE  54           2HB      PHE  54   1.704 -13.476   2.449
  393    HB3  PHE  54           1HB      PHE  54   0.450 -14.667   2.867
  394    HD1  PHE  54           1HD      PHE  54   2.736 -13.638   0.111
  395    HD2  PHE  54           2HD      PHE  54   0.311 -16.719   1.771
  396    HE1  PHE  54           1HE      PHE  54   3.668 -15.237  -1.506
  397    HE2  PHE  54           2HE      PHE  54   1.233 -18.319   0.148
  398    HZ   PHE  54           HZ       PHE  54   2.913 -17.580  -1.493
  399    H    CYS  55           H        CYS  55   1.000 -11.194   1.468
  400    HA   CYS  55           HA       CYS  55   0.585 -10.619  -1.360
  401    HB2  CYS  55           2HB      CYS  55   0.183  -8.834   0.252
  402    HB3  CYS  55           1HB      CYS  55   1.738  -9.203   1.000
  403    H    ASP  56           H        ASP  56   2.410 -10.842  -2.828
  404    HA   ASP  56           HA       ASP  56   4.947 -11.334  -1.441
  405    HB2  ASP  56           2HB      ASP  56   3.883 -13.287  -2.833
  406    HB3  ASP  56           1HB      ASP  56   4.514 -12.391  -4.217
  407    H    MET  57           H        MET  57   6.717 -11.119  -3.497
  408    HA   MET  57           HA       MET  57   6.929  -8.236  -3.613
  409    HB2  MET  57           2HB      MET  57   8.749 -10.379  -4.716
  410    HB3  MET  57           1HB      MET  57   9.144  -8.674  -4.622
  411    HG2  MET  57           2HG      MET  57   8.582 -10.454  -2.258
  412    HG3  MET  57           1HG      MET  57  10.187 -10.044  -2.845
  413    HE1  MET  57           3HE      MET  57  11.257  -7.622  -2.670
  414    HE2  MET  57           1HE      MET  57  10.390  -6.207  -2.078
  415    HE3  MET  57           2HE      MET  57   9.907  -6.965  -3.592
  416    H    ASN  58           H        ASN  58   5.134 -10.044  -5.315
  417    HA   ASN  58           HA       ASN  58   5.759  -9.078  -8.009
  418    HB2  ASN  58           2HB      ASN  58   5.158 -11.459  -7.710
  419    HB3  ASN  58           1HB      ASN  58   3.631 -10.986  -6.991
  420   HD21  ASN  58          1HD2      ASN  58   5.031  -9.452  -9.861
  421   HD22  ASN  58          2HD2      ASN  58   3.816 -10.030 -10.940
  422    H    GLY  59           H        GLY  59   3.921  -8.264  -5.242
  423    HA2  GLY  59           2HA      GLY  59   2.274  -6.606  -4.899
  424    HA3  GLY  59           1HA      GLY  59   2.437  -6.184  -6.621
  425    H    LYS  60           H        LYS  60   1.941  -9.336  -5.462
  426    HA   LYS  60           HA       LYS  60  -0.961  -9.390  -6.041
  427    HB2  LYS  60           2HB      LYS  60   0.714 -10.246  -7.985
  428    HB3  LYS  60           1HB      LYS  60   0.875 -11.498  -6.733
  429    HG2  LYS  60           2HG      LYS  60  -1.492 -12.003  -6.842
  430    HG3  LYS  60           1HG      LYS  60  -1.726 -10.762  -8.070
  431    HD2  LYS  60           2HD      LYS  60  -1.622 -12.925  -9.146
  432    HD3  LYS  60           1HD      LYS  60  -0.171 -12.011  -9.562
  433    HE2  LYS  60           2HE      LYS  60   0.411 -14.316  -9.042
  434    HE3  LYS  60           1HE      LYS  60   1.079 -13.246  -7.815
  435    HZ1  LYS  60           3HZ      LYS  60  -1.269 -15.091  -7.496
  436    HZ2  LYS  60           1HZ      LYS  60  -0.974 -13.860  -6.429
  437    HZ3  LYS  60           2HZ      LYS  60   0.102 -15.047  -6.615
  438    H    CYS  61           H        CYS  61  -1.833 -10.878  -5.148
  439    HA   CYS  61           HA       CYS  61  -0.612 -11.854  -2.693
  440    HB2  CYS  61           2HB      CYS  61  -3.197 -10.987  -3.665
  441    HB3  CYS  61           1HB      CYS  61  -3.211 -12.053  -2.213
  442    H    GLU  62           H        GLU  62  -1.033 -14.026  -2.171
  443    HA   GLU  62           HA       GLU  62  -0.745 -16.197  -2.667
  444    HB2  GLU  62           2HB      GLU  62  -3.303 -15.321  -3.662
  445    HB3  GLU  62           1HB      GLU  62  -3.007 -17.094  -3.587
  446    HG2  GLU  62           2HG      GLU  62  -3.366 -14.983  -1.444
  447    HG3  GLU  62           1HG      GLU  62  -4.336 -16.430  -1.689
  Start of MODEL   12
    1    H    PHE   1           1HT      PHE   1   5.995   5.034   6.142
    2    HA   PHE   1           HA       PHE   1   5.963   4.023   3.973
    3    HB2  PHE   1           2HB      PHE   1   3.000   3.561   4.479
    4    HB3  PHE   1           1HB      PHE   1   3.930   3.105   3.066
    5    HD1  PHE   1           1HD      PHE   1   3.512   2.466   6.608
    6    HD2  PHE   1           2HD      PHE   1   4.822   0.935   2.887
    7    HE1  PHE   1           1HE      PHE   1   3.799   0.209   7.650
    8    HE2  PHE   1           2HE      PHE   1   5.138  -1.289   3.885
    9    HZ   PHE   1           HZ       PHE   1   4.622  -1.659   6.267
   10    H    CYS   2           H        CYS   2   3.016   5.441   5.210
   11    HA   CYS   2           HA       CYS   2   3.786   7.836   3.742
   12    HB2  CYS   2           2HB      CYS   2   0.995   6.841   4.180
   13    HB3  CYS   2           1HB      CYS   2   1.446   8.418   3.518
   14    H    GLU   3           H        GLU   3   3.093   6.519   6.683
   15    HA   GLU   3           HA       GLU   3   1.621   8.388   8.104
   16    HB2  GLU   3           2HB      GLU   3   3.907   6.831   9.317
   17    HB3  GLU   3           1HB      GLU   3   2.457   7.398  10.116
   18    HG2  GLU   3           2HG      GLU   3   2.215   5.084   9.906
   19    HG3  GLU   3           1HG      GLU   3   1.180   5.782   8.648
   20    H    ARG   4           H        ARG   4   5.111   8.161   8.209
   21    HA   ARG   4           HA       ARG   4   5.122  10.784   9.271
   22    HB2  ARG   4           2HB      ARG   4   6.742   9.002  10.057
   23    HB3  ARG   4           1HB      ARG   4   7.518   9.088   8.495
   24    HG2  ARG   4           2HG      ARG   4   7.371  11.523  10.277
   25    HG3  ARG   4           1HG      ARG   4   8.583  10.290  10.553
   26    HD2  ARG   4           2HD      ARG   4   9.651  12.007   9.289
   27    HD3  ARG   4           1HD      ARG   4   9.356  10.703   8.153
   28    HE   ARG   4           HE       ARG   4   7.240  12.585   8.080
   29   HH11  ARG   4          1HH1      ARG   4  10.597  12.281   7.016
   30   HH12  ARG   4          2HH1      ARG   4  10.386  13.268   5.636
   31   HH21  ARG   4          1HH2      ARG   4   6.932  13.899   6.229
   32   HH22  ARG   4          2HH2      ARG   4   8.192  14.207   5.158
   33    H    GLU   5           H        GLU   5   6.203   8.959   6.520
   34    HA   GLU   5           HA       GLU   5   7.609  10.607   5.004
   35    HB2  GLU   5           2HB      GLU   5   5.618   8.535   4.101
   36    HB3  GLU   5           1HB      GLU   5   6.962   9.145   3.155
   37    HG2  GLU   5           2HG      GLU   5   7.703   7.036   3.958
   38    HG3  GLU   5           1HG      GLU   5   8.438   8.237   5.075
   39    H    GLN   6           H        GLN   6   4.001  10.360   4.893
   40    HA   GLN   6           HA       GLN   6   4.021  12.678   3.060
   41    HB2  GLN   6           2HB      GLN   6   1.988  10.459   3.170
   42    HB3  GLN   6           1HB      GLN   6   2.034  11.783   2.026
   43    HG2  GLN   6           2HG      GLN   6   4.016   9.547   2.235
   44    HG3  GLN   6           1HG      GLN   6   2.675   9.666   1.079
   45   HE21  GLN   6          1HE2      GLN   6   2.878  11.129  -0.648
   46   HE22  GLN   6          2HE2      GLN   6   4.403  11.832  -1.066
   47    H    GLN   7           H        GLN   7   3.328  11.509   6.135
   48    HA   GLN   7           HA       GLN   7   2.180  11.892   7.673
   49    HB2  GLN   7           2HB      GLN   7   1.516  14.550   6.402
   50    HB3  GLN   7           1HB      GLN   7   1.180  14.156   8.079
   51    HG2  GLN   7           2HG      GLN   7   3.260  15.102   8.454
   52    HG3  GLN   7           1HG      GLN   7   3.677  13.440   7.972
   53   HE21  GLN   7          1HE2      GLN   7   2.591  15.524   5.473
   54   HE22  GLN   7          2HE2      GLN   7   4.130  15.740   4.728
   55    H    LEU   8           H        LEU   8   1.092  10.428   5.714
   56    HA   LEU   8           HA       LEU   8  -1.872  10.755   5.820
   57    HB2  LEU   8           2HB      LEU   8  -0.206   8.813   4.243
   58    HB3  LEU   8           1HB      LEU   8  -1.927   9.007   4.176
   59    HG   LEU   8           HG       LEU   8  -0.042  11.129   3.459
   60   HD11  LEU   8          1HD1      LEU   8  -0.750  10.457   1.019
   61   HD12  LEU   8          2HD1      LEU   8  -1.210   8.898   1.750
   62   HD13  LEU   8          3HD1      LEU   8   0.452   9.477   1.829
   63   HD21  LEU   8          3HD2      LEU   8  -1.979  12.074   2.210
   64   HD22  LEU   8          1HD2      LEU   8  -2.235  11.960   3.951
   65   HD23  LEU   8          2HD2      LEU   8  -2.973  10.776   2.872
   66    H    GLU   9           H        GLU   9  -2.718   8.615   5.782
   67    HA   GLU   9           HA       GLU   9  -1.711   7.094   8.127
   68    HB2  GLU   9           2HB      GLU   9  -4.143   8.065   8.041
   69    HB3  GLU   9           1HB      GLU   9  -4.351   6.814   6.810
   70    HG2  GLU   9           2HG      GLU   9  -3.793   5.102   8.463
   71    HG3  GLU   9           1HG      GLU   9  -3.734   6.357   9.704
   72    H    SER  10           H        SER  10  -1.607   4.759   7.763
   73    HA   SER  10           HA       SER  10  -1.186   4.003   5.054
   74    HB2  SER  10           2HB      SER  10  -0.323   2.087   6.126
   75    HB3  SER  10           1HB      SER  10   0.187   3.665   6.900
   76    HG   SER  10           HG       SER  10  -2.049   2.577   8.009
   77    H    CYS  11           H        CYS  11  -2.338   2.129   4.179
   78    HA   CYS  11           HA       CYS  11  -4.474   1.025   5.724
   79    HB2  CYS  11           2HB      CYS  11  -6.355   1.931   4.617
   80    HB3  CYS  11           1HB      CYS  11  -5.256   3.302   4.557
   81    H    ALA  12           H        ALA  12  -5.810  -0.478   3.981
   82    HA   ALA  12           HA       ALA  12  -3.815  -1.627   2.188
   83    HB1  ALA  12           1HB      ALA  12  -5.702  -3.108   4.025
   84    HB2  ALA  12           2HB      ALA  12  -3.945  -3.033   4.184
   85    HB3  ALA  12           3HB      ALA  12  -4.675  -3.862   2.806
   86    H    CYS  13           H        CYS  13  -4.595  -1.731   0.145
   87    HA   CYS  13           HA       CYS  13  -7.181  -0.894  -0.442
   88    HB2  CYS  13           2HB      CYS  13  -5.075  -2.266  -2.124
   89    HB3  CYS  13           1HB      CYS  13  -6.532  -1.530  -2.750
   90    H    ASN  14           H        ASN  14  -8.995  -1.883  -0.826
   91    HA   ASN  14           HA       ASN  14  -9.574  -4.405   0.247
   92    HB2  ASN  14           2HB      ASN  14 -11.105  -2.380  -0.125
   93    HB3  ASN  14           1HB      ASN  14 -11.208  -2.906  -1.792
   94   HD21  ASN  14          1HD2      ASN  14 -11.405  -5.818  -1.037
   95   HD22  ASN  14          2HD2      ASN  14 -12.997  -5.969  -0.372
   96    H    GLU  15           H        GLU  15  -8.505  -3.435  -2.876
   97    HA   GLU  15           HA       GLU  15  -9.446  -5.661  -4.182
   98    HB2  GLU  15           2HB      GLU  15  -9.107  -3.372  -5.205
   99    HB3  GLU  15           1HB      GLU  15  -7.380  -3.663  -5.089
  100    HG2  GLU  15           2HG      GLU  15  -9.217  -5.384  -6.727
  101    HG3  GLU  15           1HG      GLU  15  -8.378  -3.969  -7.363
  102    H    THR  16           H        THR  16  -8.074  -7.457  -4.861
  103    HA   THR  16           HA       THR  16  -6.315  -8.455  -2.938
  104    HB   THR  16           HB       THR  16  -6.852  -9.352  -5.761
  105    HG1  THR  16           1HG      THR  16  -8.631  -9.968  -4.853
  106   HG21  THR  16          3HG2      THR  16  -5.630 -10.996  -3.507
  107   HG22  THR  16          1HG2      THR  16  -4.685 -10.155  -4.774
  108   HG23  THR  16          2HG2      THR  16  -5.828 -11.436  -5.204
  109    H    ASP  17           H        ASP  17  -5.601  -7.221  -6.205
  110    HA   ASP  17           HA       ASP  17  -2.931  -7.984  -5.987
  111    HB2  ASP  17           2HB      ASP  17  -3.987  -7.670  -8.171
  112    HB3  ASP  17           1HB      ASP  17  -4.254  -5.974  -7.732
  113    H    ASN  18           H        ASN  18  -4.756  -4.994  -5.535
  114    HA   ASN  18           HA       ASN  18  -2.523  -3.348  -5.102
  115    HB2  ASN  18           2HB      ASN  18  -5.456  -2.951  -4.793
  116    HB3  ASN  18           1HB      ASN  18  -4.331  -1.743  -4.202
  117   HD21  ASN  18          1HD2      ASN  18  -5.417  -3.473  -7.101
  118   HD22  ASN  18          2HD2      ASN  18  -4.835  -2.292  -8.211
  119    H    SER  19           H        SER  19  -4.026  -5.501  -3.155
  120    HA   SER  19           HA       SER  19  -3.410  -4.082  -0.706
  121    HB2  SER  19           2HB      SER  19  -4.045  -6.148   0.549
  122    HB3  SER  19           1HB      SER  19  -5.269  -5.691  -0.637
  123    HG   SER  19           HG       SER  19  -4.188  -7.325  -2.035
  124    H    CYS  20           H        CYS  20  -1.504  -5.272  -2.880
  125    HA   CYS  20           HA       CYS  20   0.625  -6.147  -1.088
  126    HB2  CYS  20           2HB      CYS  20   0.218  -6.396  -4.043
  127    HB3  CYS  20           1HB      CYS  20   1.734  -6.809  -3.249
  128    H    LYS  21           H        LYS  21  -0.460  -3.297  -2.237
  129    HA   LYS  21           HA       LYS  21   2.234  -2.070  -2.288
  130    HB2  LYS  21           2HB      LYS  21  -0.252  -1.441  -3.815
  131    HB3  LYS  21           1HB      LYS  21   1.176  -0.396  -3.784
  132    HG2  LYS  21           2HG      LYS  21   1.319  -1.448  -5.886
  133    HG3  LYS  21           1HG      LYS  21   2.337  -2.469  -4.866
  134    HD2  LYS  21           2HD      LYS  21   0.386  -3.998  -4.559
  135    HD3  LYS  21           1HD      LYS  21  -0.509  -3.012  -5.715
  136    HE2  LYS  21           2HE      LYS  21   1.161  -3.509  -7.434
  137    HE3  LYS  21           1HE      LYS  21   2.064  -4.486  -6.278
  138    HZ1  LYS  21           3HZ      LYS  21  -0.127  -5.856  -6.111
  139    HZ2  LYS  21           1HZ      LYS  21   0.697  -5.994  -7.581
  140    HZ3  LYS  21           2HZ      LYS  21  -0.610  -5.016  -7.436
  141    H    VAL  22           H        VAL  22   2.314  -0.134  -1.827
  142    HA   VAL  22           HA       VAL  22   1.288   0.061   0.770
  143    HB   VAL  22           HB       VAL  22   3.008   1.889  -0.884
  144   HG11  VAL  22          1HG1      VAL  22   3.471   3.030   1.245
  145   HG12  VAL  22          2HG1      VAL  22   2.129   2.103   1.984
  146   HG13  VAL  22          3HG1      VAL  22   1.827   3.204   0.644
  147   HG21  VAL  22          3HG2      VAL  22   3.715   0.121   1.467
  148   HG22  VAL  22          1HG2      VAL  22   4.822   0.868   0.339
  149   HG23  VAL  22          2HG2      VAL  22   3.783  -0.500  -0.172
  150    H    CYS  23           H        CYS  23  -0.585   0.432   0.842
  151    HA   CYS  23           HA       CYS  23  -1.780   2.668  -0.639
  152    HB2  CYS  23           2HB      CYS  23  -3.291   0.809   1.166
  153    HB3  CYS  23           1HB      CYS  23  -3.865   1.959  -0.057
  154    H    CYS  24           H        CYS  24  -2.810   4.343   0.447
  155    HA   CYS  24           HA       CYS  24  -2.219   4.542   3.239
  156    HB2  CYS  24           2HB      CYS  24  -1.382   6.555   1.107
  157    HB3  CYS  24           1HB      CYS  24  -1.215   6.804   2.835
  158    H    ARG  25           H        ARG  25  -3.392   6.847   3.842
  159    HA   ARG  25           HA       ARG  25  -5.991   6.403   2.617
  160    HB2  ARG  25           2HB      ARG  25  -5.197   6.155   5.190
  161    HB3  ARG  25           1HB      ARG  25  -5.840   7.799   5.160
  162    HG2  ARG  25           2HG      ARG  25  -7.857   6.682   3.977
  163    HG3  ARG  25           1HG      ARG  25  -7.170   5.194   4.662
  164    HD2  ARG  25           2HD      ARG  25  -7.142   6.306   6.873
  165    HD3  ARG  25           1HD      ARG  25  -7.898   7.676   6.023
  166    HE   ARG  25           HE       ARG  25  -9.704   5.978   5.468
  167   HH11  ARG  25          1HH1      ARG  25  -7.875   5.730   8.490
  168   HH12  ARG  25          2HH1      ARG  25  -9.171   5.400   9.485
  169   HH21  ARG  25          1HH2      ARG  25 -11.567   5.457   6.772
  170   HH22  ARG  25          2HH2      ARG  25 -11.399   5.196   8.461
  171    H    ASP  26           H        ASP  26  -7.231   8.235   2.379
  172    HA   ASP  26           HA       ASP  26  -5.614  10.579   1.800
  173    HB2  ASP  26           2HB      ASP  26  -6.766  10.844  -0.179
  174    HB3  ASP  26           1HB      ASP  26  -6.915   9.099   0.028
  175    H    LEU  27           H        LEU  27  -7.316  12.322   1.544
  176    HA   LEU  27           HA       LEU  27  -7.881  13.216   4.070
  177    HB2  LEU  27           2HB      LEU  27  -9.109  14.389   1.600
  178    HB3  LEU  27           1HB      LEU  27  -8.762  15.221   3.102
  179    HG   LEU  27           HG       LEU  27  -6.284  14.437   2.403
  180   HD11  LEU  27          1HD1      LEU  27  -5.926  14.749   0.022
  181   HD12  LEU  27          2HD1      LEU  27  -7.661  14.924  -0.218
  182   HD13  LEU  27          3HD1      LEU  27  -7.011  13.385   0.319
  183   HD21  LEU  27          3HD2      LEU  27  -6.932  16.711   3.001
  184   HD22  LEU  27          1HD2      LEU  27  -7.697  16.921   1.426
  185   HD23  LEU  27          2HD2      LEU  27  -5.949  16.719   1.537
  186    H    SER  28           H        SER  28  -9.904  11.669   1.676
  187    HA   SER  28           HA       SER  28 -12.288  12.238   3.107
  188    HB2  SER  28           2HB      SER  28 -12.368  12.373   0.673
  189    HB3  SER  28           1HB      SER  28 -11.796  10.716   0.536
  190    HG   SER  28           HG       SER  28 -13.852  10.470   1.995
  191    H    GLY  29           H        GLY  29  -9.828  10.246   3.497
  192    HA2  GLY  29           2HA      GLY  29  -9.459   8.620   4.761
  193    HA3  GLY  29           1HA      GLY  29 -11.158   8.555   5.257
  194    H    ARG  30           H        ARG  30 -10.058   8.158   1.918
  195    HA   ARG  30           HA       ARG  30 -11.098   5.430   1.920
  196    HB2  ARG  30           2HB      ARG  30 -10.267   7.269  -0.312
  197    HB3  ARG  30           1HB      ARG  30 -11.103   5.733  -0.481
  198    HG2  ARG  30           2HG      ARG  30 -13.091   6.581   0.368
  199    HG3  ARG  30           1HG      ARG  30 -12.287   7.978   1.096
  200    HD2  ARG  30           2HD      ARG  30 -12.521   7.447  -1.850
  201    HD3  ARG  30           1HD      ARG  30 -13.537   8.563  -0.916
  202    HE   ARG  30           HE       ARG  30 -10.855   9.214  -0.476
  203   HH11  ARG  30          1HH1      ARG  30 -13.132   9.269  -3.167
  204   HH12  ARG  30          2HH1      ARG  30 -12.505  10.686  -3.886
  205   HH21  ARG  30          1HH2      ARG  30 -10.027  11.152  -1.367
  206   HH22  ARG  30          2HH2      ARG  30 -10.625  11.814  -2.821
  207    H    CYS  31           H        CYS  31  -9.817   3.977   0.396
  208    HA   CYS  31           HA       CYS  31  -7.025   4.147   1.088
  209    HB2  CYS  31           2HB      CYS  31  -8.790   1.944   0.181
  210    HB3  CYS  31           1HB      CYS  31  -7.069   1.844  -0.193
  211    H    VAL  32           H        VAL  32  -5.529   4.779  -0.175
  212    HA   VAL  32           HA       VAL  32  -6.005   4.660  -2.927
  213    HB   VAL  32           HB       VAL  32  -6.458   6.952  -2.422
  214   HG11  VAL  32          1HG1      VAL  32  -4.751   8.409  -1.254
  215   HG12  VAL  32          2HG1      VAL  32  -3.976   6.894  -0.720
  216   HG13  VAL  32          3HG1      VAL  32  -5.628   7.269  -0.251
  217   HG21  VAL  32          3HG2      VAL  32  -5.090   6.644  -4.419
  218   HG22  VAL  32          1HG2      VAL  32  -3.625   6.784  -3.449
  219   HG23  VAL  32          2HG2      VAL  32  -4.696   8.176  -3.631
  220    HA   PRO  33           HA       PRO  33  -1.965   2.598  -2.579
  221    HB2  PRO  33           2HB      PRO  33  -1.886   3.169  -5.497
  222    HB3  PRO  33           1HB      PRO  33  -1.732   1.606  -4.671
  223    HG2  PRO  33           2HG      PRO  33  -3.921   2.192  -6.028
  224    HG3  PRO  33           1HG      PRO  33  -3.990   1.286  -4.503
  225    HD2  PRO  33           2HD      PRO  33  -4.668   4.146  -5.010
  226    HD3  PRO  33           1HD      PRO  33  -5.439   2.960  -3.936
  227    H    TYR  34           H        TYR  34  -0.110   3.693  -2.029
  228    HA   TYR  34           HA       TYR  34  -0.095   6.432  -2.582
  229    HB2  TYR  34           2HB      TYR  34   0.821   6.292  -0.653
  230    HB3  TYR  34           1HB      TYR  34   1.615   4.720  -0.876
  231    HD1  TYR  34           1HD      TYR  34   1.904   8.367  -2.086
  232    HD2  TYR  34           2HD      TYR  34   3.944   4.809  -0.876
  233    HE1  TYR  34           1HE      TYR  34   3.968   9.470  -2.360
  234    HE2  TYR  34           2HE      TYR  34   6.088   5.993  -1.152
  235    HH   TYR  34           HH       TYR  34   6.188   9.412  -1.866
  236    H    VAL  35           H        VAL  35   0.454   7.560  -4.100
  237    HA   VAL  35           HA       VAL  35   2.963   7.219  -5.319
  238    HB   VAL  35           HB       VAL  35   1.162   8.425  -7.037
  239   HG11  VAL  35          1HG1      VAL  35   2.806   5.991  -7.511
  240   HG12  VAL  35          2HG1      VAL  35   3.278   7.688  -7.516
  241   HG13  VAL  35          3HG1      VAL  35   2.160   7.109  -8.748
  242   HG21  VAL  35          3HG2      VAL  35  -0.250   6.586  -7.898
  243   HG22  VAL  35          1HG2      VAL  35  -0.592   6.956  -6.204
  244   HG23  VAL  35          2HG2      VAL  35   0.371   5.533  -6.616
  245    H    ASP  36           H        ASP  36   3.738   9.249  -5.218
  246    HA   ASP  36           HA       ASP  36   1.789  11.466  -5.140
  247    HB2  ASP  36           2HB      ASP  36   3.047  12.650  -3.627
  248    HB3  ASP  36           1HB      ASP  36   3.219  11.005  -3.031
  249    H    ALA  37           H        ALA  37   3.707  13.193  -5.556
  250    HA   ALA  37           HA       ALA  37   2.045  13.555  -7.638
  251    HB1  ALA  37           1HB      ALA  37   2.829  14.865  -6.065
  252    HB2  ALA  37           2HB      ALA  37   2.886  15.693  -7.683
  253    HB3  ALA  37           3HB      ALA  37   4.395  15.094  -6.855
  254    H    GLU  38           H        GLU  38   5.518  12.497  -7.861
  255    HA   GLU  38           HA       GLU  38   5.226  12.846 -10.591
  256    HB2  GLU  38           2HB      GLU  38   7.507  13.116 -10.633
  257    HB3  GLU  38           1HB      GLU  38   6.683  13.621  -9.101
  258    HG2  GLU  38           2HG      GLU  38   7.686  11.023  -8.913
  259    HG3  GLU  38           1HG      GLU  38   9.040  12.198  -9.036
  260    H    GLN  39           H        GLN  39   4.233  10.683  -8.702
  261    HA   GLN  39           HA       GLN  39   3.603   8.810  -8.811
  262    HB2  GLN  39           2HB      GLN  39   5.016   8.965 -11.235
  263    HB3  GLN  39           1HB      GLN  39   4.302   7.347 -10.865
  264    HG2  GLN  39           2HG      GLN  39   2.135   8.565 -10.627
  265    HG3  GLN  39           1HG      GLN  39   2.978  10.053 -11.047
  266   HE21  GLN  39          1HE2      GLN  39   3.611  10.353 -13.184
  267   HE22  GLN  39          2HE2      GLN  39   2.969   9.400 -14.487
  268    H    LYS  40           H        LYS  40   5.821   9.304  -7.087
  269    HA   LYS  40           HA       LYS  40   7.536   7.020  -7.097
  270    HB2  LYS  40           2HB      LYS  40   6.439   8.634  -4.876
  271    HB3  LYS  40           1HB      LYS  40   7.687   7.370  -4.719
  272    HG2  LYS  40           2HG      LYS  40   9.080   8.748  -6.125
  273    HG3  LYS  40           1HG      LYS  40   7.842  10.038  -6.078
  274    HD2  LYS  40           2HD      LYS  40   8.056   9.495  -3.442
  275    HD3  LYS  40           1HD      LYS  40   9.699   9.101  -3.934
  276    HE2  LYS  40           2HE      LYS  40   9.597  11.393  -3.195
  277    HE3  LYS  40           1HE      LYS  40   9.885  11.351  -4.935
  278    HZ1  LYS  40           3HZ      LYS  40   8.134  12.999  -4.313
  279    HZ2  LYS  40           1HZ      LYS  40   7.148  11.744  -3.774
  280    HZ3  LYS  40           2HZ      LYS  40   7.614  11.860  -5.353
  281    H    ASN  41           H        ASN  41   7.090   5.089  -6.246
  282    HA   ASN  41           HA       ASN  41   4.495   4.744  -4.983
  283    HB2  ASN  41           2HB      ASN  41   4.620   4.188  -7.457
  284    HB3  ASN  41           1HB      ASN  41   5.802   3.000  -6.891
  285   HD21  ASN  41          1HD2      ASN  41   2.390   3.868  -6.572
  286   HD22  ASN  41          2HD2      ASN  41   1.823   2.278  -6.219
  287    H    LEU  42           H        LEU  42   4.561   2.393  -4.181
  288    HA   LEU  42           HA       LEU  42   7.150   1.455  -3.254
  289    HB2  LEU  42           2HB      LEU  42   4.959   2.192  -1.344
  290    HB3  LEU  42           1HB      LEU  42   6.393   1.285  -0.939
  291    HG   LEU  42           HG       LEU  42   6.341   4.155  -1.809
  292   HD11  LEU  42          1HD1      LEU  42   6.596   4.664   0.538
  293   HD12  LEU  42          2HD1      LEU  42   6.756   2.944   0.924
  294   HD13  LEU  42          3HD1      LEU  42   5.208   3.567   0.358
  295   HD21  LEU  42          3HD2      LEU  42   8.541   2.440  -0.629
  296   HD22  LEU  42          1HD2      LEU  42   8.654   4.169  -0.964
  297   HD23  LEU  42          2HD2      LEU  42   8.469   3.026  -2.293
  298    H    PHE  43           H        PHE  43   7.056  -0.689  -3.525
  299    HA   PHE  43           HA       PHE  43   4.600  -1.981  -3.476
  300    HB2  PHE  43           2HB      PHE  43   6.257  -2.478  -5.173
  301    HB3  PHE  43           1HB      PHE  43   7.429  -2.878  -3.929
  302    HD1  PHE  43           1HD      PHE  43   4.103  -3.876  -5.224
  303    HD2  PHE  43           2HD      PHE  43   7.661  -5.104  -3.264
  304    HE1  PHE  43           1HE      PHE  43   3.335  -6.192  -5.302
  305    HE2  PHE  43           2HE      PHE  43   6.904  -7.434  -3.326
  306    HZ   PHE  43           HZ       PHE  43   4.732  -7.990  -4.350
  307    H    LEU  44           H        LEU  44   4.025  -3.412  -1.695
  308    HA   LEU  44           HA       LEU  44   5.136  -2.929   0.668
  309    HB2  LEU  44           2HB      LEU  44   3.114  -4.878  -0.271
  310    HB3  LEU  44           1HB      LEU  44   3.705  -5.010   1.370
  311    HG   LEU  44           HG       LEU  44   2.392  -2.543   0.216
  312   HD11  LEU  44          1HD1      LEU  44   0.809  -4.347   0.355
  313   HD12  LEU  44          2HD1      LEU  44   0.520  -3.239   1.706
  314   HD13  LEU  44          3HD1      LEU  44   1.395  -4.757   1.958
  315   HD21  LEU  44          3HD2      LEU  44   2.261  -1.855   2.558
  316   HD22  LEU  44          1HD2      LEU  44   3.937  -2.060   2.056
  317   HD23  LEU  44          2HD2      LEU  44   3.154  -3.297   3.035
  318    H    ARG  45           H        ARG  45   5.447  -5.253   2.092
  319    HA   ARG  45           HA       ARG  45   7.598  -6.626   0.822
  320    HB2  ARG  45           2HB      ARG  45   6.499  -6.425   3.510
  321    HB3  ARG  45           1HB      ARG  45   7.891  -7.526   3.198
  322    HG2  ARG  45           2HG      ARG  45   7.705  -4.492   3.038
  323    HG3  ARG  45           1HG      ARG  45   8.702  -5.430   4.149
  324    HD2  ARG  45           2HD      ARG  45  10.191  -6.073   2.423
  325    HD3  ARG  45           1HD      ARG  45   9.096  -5.555   1.150
  326    HE   ARG  45           HE       ARG  45  10.736  -3.865   2.850
  327   HH11  ARG  45          1HH1      ARG  45   8.450  -4.193   0.122
  328   HH12  ARG  45          2HH1      ARG  45   8.643  -2.652  -0.466
  329   HH21  ARG  45          1HH2      ARG  45  11.106  -1.653   1.957
  330   HH22  ARG  45          2HH2      ARG  45  10.251  -1.168   0.571
  331    H    LYS  46           H        LYS  46   7.664  -9.072   1.338
  332    HA   LYS  46           HA       LYS  46   5.123 -10.102   0.397
  333    HB2  LYS  46           2HB      LYS  46   6.310 -12.189  -0.130
  334    HB3  LYS  46           1HB      LYS  46   7.027 -10.785  -0.905
  335    HG2  LYS  46           2HG      LYS  46   8.914 -10.847   0.523
  336    HG3  LYS  46           1HG      LYS  46   8.122 -11.964   1.641
  337    HD2  LYS  46           2HD      LYS  46   9.754 -13.158   0.272
  338    HD3  LYS  46           1HD      LYS  46   8.122 -13.701  -0.100
  339    HE2  LYS  46           2HE      LYS  46   8.213 -11.996  -2.032
  340    HE3  LYS  46           1HE      LYS  46   9.953 -11.967  -1.740
  341    HZ1  LYS  46           3HZ      LYS  46   8.301 -14.325  -2.330
  342    HZ2  LYS  46           1HZ      LYS  46   9.983 -14.412  -2.165
  343    HZ3  LYS  46           2HZ      LYS  46   9.211 -13.590  -3.471
  344    H    GLY  47           H        GLY  47   4.262 -12.088   1.179
  345    HA2  GLY  47           2HA      GLY  47   3.431 -13.453   2.803
  346    HA3  GLY  47           1HA      GLY  47   4.844 -13.067   3.815
  347    H    LYS  48           H        LYS  48   3.254 -10.402   2.561
  348    HA   LYS  48           HA       LYS  48   2.340  -9.618   5.184
  349    HB2  LYS  48           2HB      LYS  48   3.478  -8.260   3.306
  350    HB3  LYS  48           1HB      LYS  48   1.895  -8.173   2.595
  351    HG2  LYS  48           2HG      LYS  48   2.607  -7.110   5.353
  352    HG3  LYS  48           1HG      LYS  48   2.446  -6.128   3.911
  353    HD2  LYS  48           2HD      LYS  48   0.156  -7.774   4.994
  354    HD3  LYS  48           1HD      LYS  48   0.497  -6.163   5.601
  355    HE2  LYS  48           2HE      LYS  48  -1.265  -6.061   3.956
  356    HE3  LYS  48           1HE      LYS  48   0.151  -5.262   3.309
  357    HZ1  LYS  48           3HZ      LYS  48  -0.927  -6.627   1.636
  358    HZ2  LYS  48           1HZ      LYS  48  -0.825  -7.994   2.629
  359    HZ3  LYS  48           2HZ      LYS  48   0.573  -7.302   1.973
  360    HA   PRO  49           HA       PRO  49  -1.695 -11.641   4.514
  361    HB2  PRO  49           2HB      PRO  49  -2.317  -9.588   6.611
  362    HB3  PRO  49           1HB      PRO  49  -2.774 -11.305   6.564
  363    HG2  PRO  49           2HG      PRO  49  -0.828 -10.555   8.134
  364    HG3  PRO  49           1HG      PRO  49  -0.678 -12.041   7.173
  365    HD2  PRO  49           2HD      PRO  49   0.638  -9.407   6.760
  366    HD3  PRO  49           1HD      PRO  49   1.244 -11.045   6.440
  367    H    CYS  50           H        CYS  50  -2.942 -11.085   2.867
  368    HA   CYS  50           HA       CYS  50  -3.704  -8.348   2.557
  369    HB2  CYS  50           2HB      CYS  50  -3.715  -9.204   0.052
  370    HB3  CYS  50           1HB      CYS  50  -2.264  -8.586   0.857
  371    H    THR  51           H        THR  51  -5.444  -9.015   0.324
  372    HA   THR  51           HA       THR  51  -7.846  -9.222   1.581
  373    HB   THR  51           HB       THR  51  -8.659  -9.770  -0.761
  374    HG1  THR  51           1HG      THR  51  -7.213 -10.052  -2.312
  375   HG21  THR  51          3HG2      THR  51  -7.926  -7.628  -1.644
  376   HG22  THR  51          1HG2      THR  51  -6.614  -7.626  -0.471
  377   HG23  THR  51          2HG2      THR  51  -8.292  -7.470   0.093
  378    H    VAL  52           H        VAL  52  -6.287 -11.599  -0.316
  379    HA   VAL  52           HA       VAL  52  -8.192 -13.562   0.606
  380    HB   VAL  52           HB       VAL  52  -7.466 -14.957  -1.336
  381   HG11  VAL  52          1HG1      VAL  52  -8.447 -12.130  -1.805
  382   HG12  VAL  52          2HG1      VAL  52  -9.440 -13.551  -1.476
  383   HG13  VAL  52          3HG1      VAL  52  -8.562 -13.421  -3.002
  384   HG21  VAL  52          3HG2      VAL  52  -6.108 -14.027  -3.062
  385   HG22  VAL  52          1HG2      VAL  52  -5.189 -13.880  -1.582
  386   HG23  VAL  52          2HG2      VAL  52  -5.988 -12.460  -2.299
  387    H    GLY  53           H        GLY  53  -4.744 -13.168   0.671
  388    HA2  GLY  53           2HA      GLY  53  -4.580 -15.003   2.818
  389    HA3  GLY  53           1HA      GLY  53  -3.929 -15.636   1.299
  390    H    PHE  54           H        PHE  54  -1.880 -15.259   0.874
  391    HA   PHE  54           HA       PHE  54  -0.580 -13.047   2.296
  392    HB2  PHE  54           2HB      PHE  54   0.622 -15.723   1.598
  393    HB3  PHE  54           1HB      PHE  54   1.539 -14.354   2.264
  394    HD1  PHE  54           1HD      PHE  54   1.013 -13.558   4.562
  395    HD2  PHE  54           2HD      PHE  54  -0.626 -17.156   2.994
  396    HE1  PHE  54           1HE      PHE  54   0.455 -14.289   6.842
  397    HE2  PHE  54           2HE      PHE  54  -1.189 -17.897   5.271
  398    HZ   PHE  54           HZ       PHE  54  -0.651 -16.462   7.198
  399    H    CYS  55           H        CYS  55   1.106 -12.063   1.222
  400    HA   CYS  55           HA       CYS  55   0.588 -11.985  -1.670
  401    HB2  CYS  55           2HB      CYS  55  -0.008  -9.983  -0.496
  402    HB3  CYS  55           1HB      CYS  55   1.578  -9.941   0.271
  403    H    ASP  56           H        ASP  56   2.293 -12.146  -3.073
  404    HA   ASP  56           HA       ASP  56   4.863 -12.157  -1.713
  405    HB2  ASP  56           2HB      ASP  56   4.175 -14.442  -2.648
  406    HB3  ASP  56           1HB      ASP  56   4.384 -13.762  -4.257
  407    H    MET  57           H        MET  57   6.611 -12.054  -4.065
  408    HA   MET  57           HA       MET  57   6.804  -9.330  -4.220
  409    HB2  MET  57           2HB      MET  57   8.600 -10.904  -4.000
  410    HB3  MET  57           1HB      MET  57   8.176 -11.644  -5.532
  411    HG2  MET  57           2HG      MET  57   8.639  -9.680  -6.643
  412    HG3  MET  57           1HG      MET  57   9.021  -8.867  -5.101
  413    HE1  MET  57           3HE      MET  57  12.607  -9.265  -6.808
  414    HE2  MET  57           1HE      MET  57  11.465  -8.126  -6.093
  415    HE3  MET  57           2HE      MET  57  11.080  -8.920  -7.619
  416    H    ASN  58           H        ASN  58   5.048 -11.535  -6.180
  417    HA   ASN  58           HA       ASN  58   5.311  -9.982  -8.622
  418    HB2  ASN  58           2HB      ASN  58   4.857 -12.477  -8.629
  419    HB3  ASN  58           1HB      ASN  58   3.247 -12.132  -8.016
  420   HD21  ASN  58          1HD2      ASN  58   5.360 -11.963 -10.773
  421   HD22  ASN  58          2HD2      ASN  58   4.132 -11.627 -11.938
  422    H    GLY  59           H        GLY  59   3.678  -9.616  -5.758
  423    HA2  GLY  59           2HA      GLY  59   2.300  -7.901  -5.111
  424    HA3  GLY  59           1HA      GLY  59   2.075  -7.463  -6.807
  425    H    LYS  60           H        LYS  60   1.687 -10.677  -5.818
  426    HA   LYS  60           HA       LYS  60  -1.244 -10.468  -6.033
  427    HB2  LYS  60           2HB      LYS  60   0.683 -12.484  -7.116
  428    HB3  LYS  60           1HB      LYS  60  -0.909 -13.015  -6.615
  429    HG2  LYS  60           2HG      LYS  60  -0.736 -12.555  -9.062
  430    HG3  LYS  60           1HG      LYS  60  -1.975 -11.599  -8.252
  431    HD2  LYS  60           2HD      LYS  60  -0.442  -9.704  -8.164
  432    HD3  LYS  60           1HD      LYS  60   0.796 -10.668  -8.957
  433    HE2  LYS  60           2HE      LYS  60  -0.514 -10.803 -10.955
  434    HE3  LYS  60           1HE      LYS  60  -1.886 -10.025 -10.158
  435    HZ1  LYS  60           3HZ      LYS  60   0.757  -8.745 -10.483
  436    HZ2  LYS  60           1HZ      LYS  60  -0.671  -8.084  -9.872
  437    HZ3  LYS  60           2HZ      LYS  60  -0.584  -8.456 -11.520
  438    H    CYS  61           H        CYS  61  -2.359 -12.108  -4.956
  439    HA   CYS  61           HA       CYS  61  -1.086 -12.746  -2.447
  440    HB2  CYS  61           2HB      CYS  61  -2.320 -10.643  -2.381
  441    HB3  CYS  61           1HB      CYS  61  -3.713 -11.520  -3.014
  442    H    GLU  62           H        GLU  62  -1.665 -14.714  -1.851
  443    HA   GLU  62           HA       GLU  62  -3.882 -16.038  -3.030
  444    HB2  GLU  62           2HB      GLU  62  -2.466 -17.961  -3.621
  445    HB3  GLU  62           1HB      GLU  62  -1.941 -16.407  -4.296
  446    HG2  GLU  62           2HG      GLU  62  -0.126 -16.242  -2.739
  447    HG3  GLU  62           1HG      GLU  62  -0.599 -17.764  -1.983
  Start of MODEL   13
    1    H    PHE   1           1HT      PHE   1   6.163   5.288   4.045
    2    HA   PHE   1           HA       PHE   1   5.299   3.874   1.557
    3    HB2  PHE   1           2HB      PHE   1   4.175   3.593   4.349
    4    HB3  PHE   1           1HB      PHE   1   3.656   2.711   2.927
    5    HD1  PHE   1           2HD      PHE   1   5.053   0.920   2.007
    6    HD2  PHE   1           1HD      PHE   1   6.003   3.078   5.493
    7    HE1  PHE   1           2HE      PHE   1   6.665  -0.852   2.606
    8    HE2  PHE   1           1HE      PHE   1   7.664   1.299   6.163
    9    HZ   PHE   1           HZ       PHE   1   7.975  -0.662   4.692
   10    H    CYS   2           H        CYS   2   3.927   5.486   4.371
   11    HA   CYS   2           HA       CYS   2   2.683   7.319   2.468
   12    HB2  CYS   2           2HB      CYS   2   1.251   5.999   4.771
   13    HB3  CYS   2           1HB      CYS   2   0.574   7.313   3.821
   14    H    GLU   3           H        GLU   3   3.844   6.746   5.634
   15    HA   GLU   3           HA       GLU   3   3.203   9.021   6.987
   16    HB2  GLU   3           2HB      GLU   3   5.101   8.416   8.444
   17    HB3  GLU   3           1HB      GLU   3   3.931   7.104   8.222
   18    HG2  GLU   3           2HG      GLU   3   6.817   7.394   7.398
   19    HG3  GLU   3           1HG      GLU   3   6.037   6.064   8.236
   20    H    ARG   4           H        ARG   4   6.507   8.430   5.821
   21    HA   ARG   4           HA       ARG   4   7.184  11.112   6.183
   22    HB2  ARG   4           2HB      ARG   4   9.386  10.565   5.531
   23    HB3  ARG   4           1HB      ARG   4   8.765   9.029   6.096
   24    HG2  ARG   4           2HG      ARG   4   9.827   8.365   4.154
   25    HG3  ARG   4           1HG      ARG   4   8.209   8.676   3.527
   26    HD2  ARG   4           2HD      ARG   4   9.284  11.145   3.241
   27    HD3  ARG   4           1HD      ARG   4  10.744  10.176   3.077
   28    HE   ARG   4           HE       ARG   4   8.779   9.069   1.421
   29   HH11  ARG   4          1HH1      ARG   4  10.786  12.019   1.472
   30   HH12  ARG   4          2HH1      ARG   4  10.453  12.330  -0.195
   31   HH21  ARG   4          1HH2      ARG   4   8.343   9.644  -0.732
   32   HH22  ARG   4          2HH2      ARG   4   9.092  11.020  -1.441
   33    H    GLU   5           H        GLU   5   5.610   9.477   3.705
   34    HA   GLU   5           HA       GLU   5   6.654  10.745   1.392
   35    HB2  GLU   5           2HB      GLU   5   4.006   9.433   1.632
   36    HB3  GLU   5           1HB      GLU   5   5.049   9.516   0.215
   37    HG2  GLU   5           2HG      GLU   5   5.443   7.885   2.709
   38    HG3  GLU   5           1HG      GLU   5   4.935   7.294   1.146
   39    H    GLN   6           H        GLN   6   3.409  10.847   2.923
   40    HA   GLN   6           HA       GLN   6   2.933  13.520   1.736
   41    HB2  GLN   6           2HB      GLN   6   1.060  11.166   1.791
   42    HB3  GLN   6           1HB      GLN   6   0.719  12.744   1.102
   43    HG2  GLN   6           2HG      GLN   6   2.886  10.930   0.124
   44    HG3  GLN   6           1HG      GLN   6   1.220  10.888  -0.478
   45   HE21  GLN   6          1HE2      GLN   6   4.164  12.852  -0.312
   46   HE22  GLN   6          2HE2      GLN   6   3.698  13.941  -1.577
   47    H    GLN   7           H        GLN   7   3.442  11.978   4.416
   48    HA   GLN   7           HA       GLN   7   2.803  11.758   6.401
   49    HB2  GLN   7           2HB      GLN   7   1.390  14.380   5.911
   50    HB3  GLN   7           1HB      GLN   7   1.651  13.702   7.516
   51    HG2  GLN   7           2HG      GLN   7   4.056  13.735   7.138
   52    HG3  GLN   7           1HG      GLN   7   3.786  14.417   5.540
   53   HE21  GLN   7          1HE2      GLN   7   3.682  15.002   8.950
   54   HE22  GLN   7          2HE2      GLN   7   3.564  16.733   8.850
   55    H    LEU   8           H        LEU   8   1.198  10.527   4.486
   56    HA   LEU   8           HA       LEU   8  -1.558  10.428   5.474
   57    HB2  LEU   8           2HB      LEU   8  -0.113   9.166   3.166
   58    HB3  LEU   8           1HB      LEU   8  -1.739   8.725   3.670
   59    HG   LEU   8           HG       LEU   8  -0.977  11.500   2.996
   60   HD11  LEU   8          1HD1      LEU   8  -0.530  10.185   0.936
   61   HD12  LEU   8          2HD1      LEU   8  -2.047  11.048   0.721
   62   HD13  LEU   8          3HD1      LEU   8  -2.067   9.339   1.138
   63   HD21  LEU   8          3HD2      LEU   8  -3.026  11.304   4.222
   64   HD22  LEU   8          1HD2      LEU   8  -3.626  10.077   3.105
   65   HD23  LEU   8          2HD2      LEU   8  -3.408  11.738   2.559
   66    H    GLU   9           H        GLU   9  -2.409   8.646   5.883
   67    HA   GLU   9           HA       GLU   9  -0.852   6.877   7.644
   68    HB2  GLU   9           2HB      GLU   9  -3.226   7.845   8.133
   69    HB3  GLU   9           1HB      GLU   9  -3.693   6.663   6.902
   70    HG2  GLU   9           2HG      GLU   9  -2.947   4.847   8.276
   71    HG3  GLU   9           1HG      GLU   9  -2.438   5.983   9.535
   72    H    SER  10           H        SER  10  -0.787   4.596   7.147
   73    HA   SER  10           HA       SER  10  -0.860   4.010   4.386
   74    HB2  SER  10           2HB      SER  10   0.181   2.027   5.169
   75    HB3  SER  10           1HB      SER  10   0.811   3.573   5.907
   76    HG   SER  10           HG       SER  10  -1.174   2.354   7.346
   77    H    CYS  11           H        CYS  11  -2.121   2.136   3.595
   78    HA   CYS  11           HA       CYS  11  -3.965   0.871   5.382
   79    HB2  CYS  11           2HB      CYS  11  -6.039   1.686   4.444
   80    HB3  CYS  11           1HB      CYS  11  -5.048   3.126   4.462
   81    H    ALA  12           H        ALA  12  -5.343  -0.711   3.829
   82    HA   ALA  12           HA       ALA  12  -3.553  -1.577   1.688
   83    HB1  ALA  12           1HB      ALA  12  -4.157  -3.905   2.251
   84    HB2  ALA  12           2HB      ALA  12  -5.085  -3.320   3.634
   85    HB3  ALA  12           3HB      ALA  12  -3.335  -3.108   3.592
   86    H    CYS  13           H        CYS  13  -4.587  -1.701  -0.235
   87    HA   CYS  13           HA       CYS  13  -7.261  -0.927  -0.399
   88    HB2  CYS  13           2HB      CYS  13  -5.363  -2.058  -2.466
   89    HB3  CYS  13           1HB      CYS  13  -6.967  -1.472  -2.833
   90    H    ASN  14           H        ASN  14  -9.080  -1.901  -0.660
   91    HA   ASN  14           HA       ASN  14  -9.577  -4.461   0.342
   92    HB2  ASN  14           2HB      ASN  14 -11.197  -2.554   0.244
   93    HB3  ASN  14           1HB      ASN  14 -11.300  -2.815  -1.495
   94   HD21  ASN  14          1HD2      ASN  14 -12.561  -4.543  -2.276
   95   HD22  ASN  14          2HD2      ASN  14 -13.577  -5.465  -1.224
   96    H    GLU  15           H        GLU  15  -8.717  -3.429  -2.804
   97    HA   GLU  15           HA       GLU  15  -9.724  -5.622  -4.105
   98    HB2  GLU  15           2HB      GLU  15  -9.329  -3.353  -5.133
   99    HB3  GLU  15           1HB      GLU  15  -7.606  -3.674  -5.028
  100    HG2  GLU  15           2HG      GLU  15  -9.503  -5.345  -6.664
  101    HG3  GLU  15           1HG      GLU  15  -8.614  -3.960  -7.297
  102    H    THR  16           H        THR  16  -8.436  -7.461  -4.764
  103    HA   THR  16           HA       THR  16  -6.723  -8.491  -2.833
  104    HB   THR  16           HB       THR  16  -7.342  -9.396  -5.624
  105    HG1  THR  16           1HG      THR  16  -9.094  -9.902  -4.597
  106   HG21  THR  16          3HG2      THR  16  -5.908 -10.920  -3.420
  107   HG22  THR  16          1HG2      THR  16  -5.151 -10.278  -4.882
  108   HG23  THR  16          2HG2      THR  16  -6.363 -11.567  -4.998
  109    H    ASP  17           H        ASP  17  -5.928  -7.302  -6.079
  110    HA   ASP  17           HA       ASP  17  -3.254  -8.139  -5.738
  111    HB2  ASP  17           2HB      ASP  17  -4.297  -8.047  -7.938
  112    HB3  ASP  17           1HB      ASP  17  -4.507  -6.301  -7.698
  113    H    ASN  18           H        ASN  18  -5.069  -5.122  -5.529
  114    HA   ASN  18           HA       ASN  18  -2.751  -3.567  -5.146
  115    HB2  ASN  18           2HB      ASN  18  -5.660  -2.918  -5.113
  116    HB3  ASN  18           1HB      ASN  18  -4.468  -1.750  -4.555
  117   HD21  ASN  18          1HD2      ASN  18  -5.515  -3.666  -7.317
  118   HD22  ASN  18          2HD2      ASN  18  -4.754  -2.681  -8.507
  119    H    SER  19           H        SER  19  -4.300  -5.582  -3.143
  120    HA   SER  19           HA       SER  19  -4.006  -4.106  -0.733
  121    HB2  SER  19           2HB      SER  19  -4.146  -6.279   0.445
  122    HB3  SER  19           1HB      SER  19  -5.250  -6.343  -0.927
  123    HG   SER  19           HG       SER  19  -3.873  -7.634  -1.982
  124    H    CYS  20           H        CYS  20  -1.727  -5.491  -2.913
  125    HA   CYS  20           HA       CYS  20   0.413  -5.688  -0.950
  126    HB2  CYS  20           2HB      CYS  20   0.356  -6.244  -3.879
  127    HB3  CYS  20           1HB      CYS  20   1.780  -6.483  -2.881
  128    H    LYS  21           H        LYS  21  -0.796  -3.332  -2.910
  129    HA   LYS  21           HA       LYS  21   1.740  -1.891  -2.780
  130    HB2  LYS  21           2HB      LYS  21  -0.622  -1.708  -4.642
  131    HB3  LYS  21           1HB      LYS  21   0.471  -0.352  -4.388
  132    HG2  LYS  21           2HG      LYS  21   1.214  -1.419  -6.366
  133    HG3  LYS  21           1HG      LYS  21   2.325  -1.865  -5.062
  134    HD2  LYS  21           2HD      LYS  21   1.994  -3.840  -6.337
  135    HD3  LYS  21           1HD      LYS  21   1.028  -4.030  -4.877
  136    HE2  LYS  21           2HE      LYS  21  -0.985  -3.445  -6.094
  137    HE3  LYS  21           1HE      LYS  21  -0.044  -3.106  -7.544
  138    HZ1  LYS  21           3HZ      LYS  21  -0.433  -5.796  -6.283
  139    HZ2  LYS  21           1HZ      LYS  21   0.595  -5.519  -7.581
  140    HZ3  LYS  21           2HZ      LYS  21  -1.036  -5.269  -7.717
  141    H    VAL  22           H        VAL  22   1.941  -0.173  -2.189
  142    HA   VAL  22           HA       VAL  22   0.723   0.100   0.291
  143    HB   VAL  22           HB       VAL  22   2.551   1.907  -1.212
  144   HG11  VAL  22          1HG1      VAL  22   1.732   1.885   1.696
  145   HG12  VAL  22          2HG1      VAL  22   1.315   3.073   0.454
  146   HG13  VAL  22          3HG1      VAL  22   2.995   2.928   0.991
  147   HG21  VAL  22          3HG2      VAL  22   4.307   0.795   0.228
  148   HG22  VAL  22          1HG2      VAL  22   3.447  -0.319  -0.849
  149   HG23  VAL  22          2HG2      VAL  22   3.064  -0.273   0.853
  150    H    CYS  23           H        CYS  23  -1.109   0.636   0.333
  151    HA   CYS  23           HA       CYS  23  -2.090   2.994  -1.108
  152    HB2  CYS  23           2HB      CYS  23  -3.655   1.187   0.697
  153    HB3  CYS  23           1HB      CYS  23  -4.249   2.365  -0.491
  154    H    CYS  24           H        CYS  24  -3.185   4.632   0.111
  155    HA   CYS  24           HA       CYS  24  -2.146   4.936   2.792
  156    HB2  CYS  24           2HB      CYS  24  -2.396   6.986   0.580
  157    HB3  CYS  24           1HB      CYS  24  -2.007   7.360   2.252
  158    H    ARG  25           H        ARG  25  -3.552   6.538   3.968
  159    HA   ARG  25           HA       ARG  25  -6.283   5.895   3.177
  160    HB2  ARG  25           2HB      ARG  25  -5.090   4.856   5.289
  161    HB3  ARG  25           1HB      ARG  25  -5.375   6.449   5.948
  162    HG2  ARG  25           2HG      ARG  25  -7.643   5.161   4.699
  163    HG3  ARG  25           1HG      ARG  25  -7.087   4.445   6.224
  164    HD2  ARG  25           2HD      ARG  25  -7.867   7.340   5.708
  165    HD3  ARG  25           1HD      ARG  25  -8.836   6.157   6.595
  166    HE   ARG  25           HE       ARG  25  -6.548   6.150   7.982
  167   HH11  ARG  25          1HH1      ARG  25  -8.453   8.892   6.822
  168   HH12  ARG  25          2HH1      ARG  25  -8.175   9.869   8.192
  169   HH21  ARG  25          1HH2      ARG  25  -6.071   7.450   9.793
  170   HH22  ARG  25          2HH2      ARG  25  -6.720   9.005   9.986
  171    H    ASP  26           H        ASP  26  -7.514   7.595   2.793
  172    HA   ASP  26           HA       ASP  26  -6.271  10.172   3.113
  173    HB2  ASP  26           2HB      ASP  26  -7.412  10.839   1.241
  174    HB3  ASP  26           1HB      ASP  26  -7.366   9.113   0.916
  175    H    LEU  27           H        LEU  27  -8.194  11.696   3.111
  176    HA   LEU  27           HA       LEU  27  -8.818  12.020   5.761
  177    HB2  LEU  27           2HB      LEU  27 -10.426  13.814   4.842
  178    HB3  LEU  27           1HB      LEU  27  -8.675  14.093   4.816
  179    HG   LEU  27           HG       LEU  27 -10.124  12.983   2.420
  180   HD11  LEU  27          1HD1      LEU  27 -11.410  14.978   3.125
  181   HD12  LEU  27          2HD1      LEU  27 -10.508  15.300   1.643
  182   HD13  LEU  27          3HD1      LEU  27  -9.915  15.913   3.186
  183   HD21  LEU  27          3HD2      LEU  27  -7.747  14.834   2.710
  184   HD22  LEU  27          1HD2      LEU  27  -8.381  14.200   1.196
  185   HD23  LEU  27          2HD2      LEU  27  -7.653  13.108   2.372
  186    H    SER  28           H        SER  28 -10.777  10.998   3.066
  187    HA   SER  28           HA       SER  28 -13.156  10.936   4.596
  188    HB2  SER  28           2HB      SER  28 -12.512  10.078   1.803
  189    HB3  SER  28           1HB      SER  28 -14.162  10.180   2.457
  190    HG   SER  28           HG       SER  28 -12.874  12.439   2.946
  191    H    GLY  29           H        GLY  29 -10.517   9.112   4.434
  192    HA2  GLY  29           2HA      GLY  29 -10.003   7.315   5.347
  193    HA3  GLY  29           1HA      GLY  29 -11.685   6.941   5.772
  194    H    ARG  30           H        ARG  30 -10.489   7.471   2.484
  195    HA   ARG  30           HA       ARG  30 -11.236   4.744   1.808
  196    HB2  ARG  30           2HB      ARG  30 -10.528   7.132   0.118
  197    HB3  ARG  30           1HB      ARG  30 -11.167   5.599  -0.461
  198    HG2  ARG  30           2HG      ARG  30 -13.278   6.007   0.417
  199    HG3  ARG  30           1HG      ARG  30 -12.677   7.250   1.518
  200    HD2  ARG  30           2HD      ARG  30 -12.689   7.464  -1.472
  201    HD3  ARG  30           1HD      ARG  30 -13.916   8.162  -0.398
  202    HE   ARG  30           HE       ARG  30 -11.318   8.985   0.368
  203   HH11  ARG  30          1HH1      ARG  30 -13.692   9.586  -2.178
  204   HH12  ARG  30          2HH1      ARG  30 -13.284  11.231  -2.388
  205   HH21  ARG  30          1HH2      ARG  30 -10.784  11.199   0.138
  206   HH22  ARG  30          2HH2      ARG  30 -11.542  12.206  -1.008
  207    H    CYS  31           H        CYS  31  -9.790   3.658   0.298
  208    HA   CYS  31           HA       CYS  31  -7.026   4.120   0.977
  209    HB2  CYS  31           2HB      CYS  31  -8.506   1.755  -0.059
  210    HB3  CYS  31           1HB      CYS  31  -6.774   1.893  -0.364
  211    H    VAL  32           H        VAL  32  -5.836   5.232  -0.212
  212    HA   VAL  32           HA       VAL  32  -6.345   5.225  -2.972
  213    HB   VAL  32           HB       VAL  32  -6.895   7.424  -2.268
  214   HG11  VAL  32          1HG1      VAL  32  -6.091   7.599  -0.062
  215   HG12  VAL  32          2HG1      VAL  32  -5.216   8.851  -0.941
  216   HG13  VAL  32          3HG1      VAL  32  -4.433   7.306  -0.569
  217   HG21  VAL  32          3HG2      VAL  32  -5.237   8.874  -3.343
  218   HG22  VAL  32          1HG2      VAL  32  -5.499   7.396  -4.273
  219   HG23  VAL  32          2HG2      VAL  32  -4.053   7.565  -3.280
  220    HA   PRO  33           HA       PRO  33  -2.335   3.116  -3.046
  221    HB2  PRO  33           2HB      PRO  33  -2.336   4.191  -5.830
  222    HB3  PRO  33           1HB      PRO  33  -2.082   2.523  -5.275
  223    HG2  PRO  33           2HG      PRO  33  -4.353   3.178  -6.403
  224    HG3  PRO  33           1HG      PRO  33  -4.323   2.106  -4.989
  225    HD2  PRO  33           2HD      PRO  33  -5.105   4.987  -5.129
  226    HD3  PRO  33           1HD      PRO  33  -5.778   3.660  -4.157
  227    H    TYR  34           H        TYR  34  -0.386   3.905  -2.356
  228    HA   TYR  34           HA       TYR  34   0.126   6.619  -2.287
  229    HB2  TYR  34           2HB      TYR  34   1.172   5.728  -0.645
  230    HB3  TYR  34           1HB      TYR  34   1.483   4.170  -1.425
  231    HD1  TYR  34           1HD      TYR  34   2.740   7.857  -1.688
  232    HD2  TYR  34           2HD      TYR  34   3.853   3.641  -1.572
  233    HE1  TYR  34           1HE      TYR  34   4.899   8.398  -1.770
  234    HE2  TYR  34           2HE      TYR  34   6.148   4.366  -1.639
  235    HH   TYR  34           HH       TYR  34   7.158   7.448  -1.090
  236    H    VAL  35           H        VAL  35   0.943   7.995  -3.553
  237    HA   VAL  35           HA       VAL  35   3.187   7.363  -5.133
  238    HB   VAL  35           HB       VAL  35   1.617   9.405  -6.241
  239   HG11  VAL  35          1HG1      VAL  35   2.741   6.964  -7.503
  240   HG12  VAL  35          2HG1      VAL  35   3.487   8.543  -7.243
  241   HG13  VAL  35          3HG1      VAL  35   2.137   8.390  -8.377
  242   HG21  VAL  35          3HG2      VAL  35  -0.209   8.194  -7.390
  243   HG22  VAL  35          1HG2      VAL  35  -0.330   8.092  -5.625
  244   HG23  VAL  35          2HG2      VAL  35   0.280   6.710  -6.542
  245    H    ASP  36           H        ASP  36   4.522   9.010  -4.678
  246    HA   ASP  36           HA       ASP  36   3.373  11.383  -3.280
  247    HB2  ASP  36           2HB      ASP  36   5.614  11.655  -2.493
  248    HB3  ASP  36           1HB      ASP  36   4.966  10.074  -2.061
  249    H    ALA  37           H        ALA  37   5.058  12.897  -3.456
  250    HA   ALA  37           HA       ALA  37   3.723  13.966  -5.501
  251    HB1  ALA  37           1HB      ALA  37   4.191  14.887  -3.490
  252    HB2  ALA  37           2HB      ALA  37   4.759  16.041  -4.760
  253    HB3  ALA  37           3HB      ALA  37   5.913  15.002  -3.832
  254    H    GLU  38           H        GLU  38   6.596  12.337  -5.107
  255    HA   GLU  38           HA       GLU  38   8.118  13.238  -7.192
  256    HB2  GLU  38           2HB      GLU  38   8.130  11.010  -5.263
  257    HB3  GLU  38           1HB      GLU  38   9.466  11.211  -6.415
  258    HG2  GLU  38           2HG      GLU  38  10.084  13.294  -5.357
  259    HG3  GLU  38           1HG      GLU  38   8.604  13.302  -4.398
  260    H    GLN  39           H        GLN  39   5.163  11.294  -6.920
  261    HA   GLN  39           HA       GLN  39   4.061  10.076  -8.049
  262    HB2  GLN  39           2HB      GLN  39   6.070  10.952  -9.898
  263    HB3  GLN  39           1HB      GLN  39   4.792   9.856 -10.535
  264    HG2  GLN  39           2HG      GLN  39   3.178  11.577  -9.650
  265    HG3  GLN  39           1HG      GLN  39   4.569  12.584  -9.263
  266   HE21  GLN  39          1HE2      GLN  39   2.623  11.246 -11.802
  267   HE22  GLN  39          2HE2      GLN  39   3.227  12.275 -13.065
  268    H    LYS  40           H        LYS  40   6.114   8.963  -6.403
  269    HA   LYS  40           HA       LYS  40   6.766   6.577  -7.922
  270    HB2  LYS  40           2HB      LYS  40   8.600   6.377  -6.758
  271    HB3  LYS  40           1HB      LYS  40   8.174   8.106  -6.347
  272    HG2  LYS  40           2HG      LYS  40   7.500   7.545  -4.202
  273    HG3  LYS  40           1HG      LYS  40   7.391   5.825  -4.579
  274    HD2  LYS  40           2HD      LYS  40   9.341   6.235  -3.190
  275    HD3  LYS  40           1HD      LYS  40   9.852   5.743  -4.802
  276    HE2  LYS  40           2HE      LYS  40  11.257   7.540  -4.110
  277    HE3  LYS  40           1HE      LYS  40  10.172   8.170  -5.343
  278    HZ1  LYS  40           3HZ      LYS  40   9.959   8.583  -2.410
  279    HZ2  LYS  40           1HZ      LYS  40   8.777   9.070  -3.495
  280    HZ3  LYS  40           2HZ      LYS  40  10.298   9.733  -3.593
  281    H    ASN  41           H        ASN  41   6.437   4.562  -7.062
  282    HA   ASN  41           HA       ASN  41   4.498   4.382  -4.939
  283    HB2  ASN  41           2HB      ASN  41   3.483   4.193  -7.275
  284    HB3  ASN  41           1HB      ASN  41   4.678   2.885  -7.411
  285   HD21  ASN  41          1HD2      ASN  41   1.779   3.766  -5.570
  286   HD22  ASN  41          2HD2      ASN  41   1.242   2.143  -5.317
  287    H    LEU  42           H        LEU  42   4.533   1.882  -4.474
  288    HA   LEU  42           HA       LEU  42   6.611   0.266  -5.097
  289    HB2  LEU  42           2HB      LEU  42   7.974   0.380  -3.043
  290    HB3  LEU  42           1HB      LEU  42   7.771   1.752  -4.165
  291    HG   LEU  42           HG       LEU  42   6.555   3.013  -2.713
  292   HD11  LEU  42          1HD1      LEU  42   5.191   1.564  -1.527
  293   HD12  LEU  42          2HD1      LEU  42   6.155   2.409  -0.325
  294   HD13  LEU  42          3HD1      LEU  42   6.553   0.738  -0.764
  295   HD21  LEU  42          3HD2      LEU  42   8.917   3.262  -2.471
  296   HD22  LEU  42          1HD2      LEU  42   8.978   1.958  -1.285
  297   HD23  LEU  42          2HD2      LEU  42   8.158   3.468  -0.891
  298    H    PHE  43           H        PHE  43   6.892  -1.513  -3.353
  299    HA   PHE  43           HA       PHE  43   4.313  -2.566  -3.082
  300    HB2  PHE  43           2HB      PHE  43   5.579  -3.854  -4.515
  301    HB3  PHE  43           1HB      PHE  43   7.048  -3.598  -3.603
  302    HD1  PHE  43           2HD      PHE  43   3.715  -5.225  -3.019
  303    HD2  PHE  43           1HD      PHE  43   7.952  -5.492  -2.736
  304    HE1  PHE  43           2HE      PHE  43   3.519  -7.492  -2.071
  305    HE2  PHE  43           1HE      PHE  43   7.758  -7.752  -1.799
  306    HZ   PHE  43           HZ       PHE  43   5.537  -8.752  -1.465
  307    H    LEU  44           H        LEU  44   3.582  -3.457  -1.068
  308    HA   LEU  44           HA       LEU  44   4.667  -2.669   1.246
  309    HB2  LEU  44           2HB      LEU  44   2.503  -4.580   0.527
  310    HB3  LEU  44           1HB      LEU  44   3.015  -4.482   2.195
  311    HG   LEU  44           HG       LEU  44   1.982  -2.124   0.598
  312   HD11  LEU  44          1HD1      LEU  44   0.612  -3.846   2.660
  313   HD12  LEU  44          2HD1      LEU  44   0.243  -3.813   0.934
  314   HD13  LEU  44          3HD1      LEU  44  -0.048  -2.386   1.926
  315   HD21  LEU  44          3HD2      LEU  44   3.489  -1.524   2.457
  316   HD22  LEU  44          1HD2      LEU  44   2.502  -2.493   3.549
  317   HD23  LEU  44          2HD2      LEU  44   1.824  -1.056   2.788
  318    H    ARG  45           H        ARG  45   4.768  -4.734   3.017
  319    HA   ARG  45           HA       ARG  45   7.117  -6.170   2.475
  320    HB2  ARG  45           2HB      ARG  45   5.622  -5.636   4.691
  321    HB3  ARG  45           1HB      ARG  45   5.345  -7.362   4.354
  322    HG2  ARG  45           2HG      ARG  45   7.804  -7.744   4.314
  323    HG3  ARG  45           1HG      ARG  45   8.006  -6.117   4.962
  324    HD2  ARG  45           2HD      ARG  45   8.062  -7.705   6.779
  325    HD3  ARG  45           1HD      ARG  45   6.581  -6.752   6.890
  326    HE   ARG  45           HE       ARG  45   6.150  -9.170   5.427
  327   HH11  ARG  45          1HH1      ARG  45   6.472  -7.998   8.752
  328   HH12  ARG  45          2HH1      ARG  45   5.581  -9.275   9.436
  329   HH21  ARG  45          1HH2      ARG  45   4.941 -10.902   6.329
  330   HH22  ARG  45          2HH2      ARG  45   4.662 -11.002   7.987
  331    H    LYS  46           H        LYS  46   7.064  -8.579   2.940
  332    HA   LYS  46           HA       LYS  46   5.222  -9.956   1.104
  333    HB2  LYS  46           2HB      LYS  46   6.966 -11.700   0.918
  334    HB3  LYS  46           1HB      LYS  46   7.627 -10.127   0.497
  335    HG2  LYS  46           2HG      LYS  46   8.554  -9.982   2.818
  336    HG3  LYS  46           1HG      LYS  46   8.015 -11.632   3.079
  337    HD2  LYS  46           2HD      LYS  46   9.987 -10.787   0.939
  338    HD3  LYS  46           1HD      LYS  46  10.450 -11.389   2.520
  339    HE2  LYS  46           2HE      LYS  46  10.679 -13.217   1.025
  340    HE3  LYS  46           1HE      LYS  46   9.198 -13.525   1.920
  341    HZ1  LYS  46           3HZ      LYS  46   7.898 -13.064   0.065
  342    HZ2  LYS  46           1HZ      LYS  46   9.141 -13.909  -0.568
  343    HZ3  LYS  46           2HZ      LYS  46   9.096 -12.238  -0.767
  344    H    GLY  47           H        GLY  47   4.238 -11.894   1.786
  345    HA2  GLY  47           2HA      GLY  47   3.207 -13.331   3.221
  346    HA3  GLY  47           1HA      GLY  47   4.608 -13.159   4.307
  347    H    LYS  48           H        LYS  48   2.614 -10.609   3.133
  348    HA   LYS  48           HA       LYS  48   1.693 -10.129   5.824
  349    HB2  LYS  48           2HB      LYS  48   2.280  -7.988   5.303
  350    HB3  LYS  48           1HB      LYS  48   2.637  -8.548   3.676
  351    HG2  LYS  48           2HG      LYS  48  -0.154  -7.745   4.465
  352    HG3  LYS  48           1HG      LYS  48   1.036  -6.546   3.960
  353    HD2  LYS  48           2HD      LYS  48   1.283  -7.633   1.817
  354    HD3  LYS  48           1HD      LYS  48   0.249  -8.961   2.336
  355    HE2  LYS  48           2HE      LYS  48  -1.611  -7.367   2.568
  356    HE3  LYS  48           1HE      LYS  48  -0.563  -6.090   1.948
  357    HZ1  LYS  48           3HZ      LYS  48  -1.368  -8.552   0.477
  358    HZ2  LYS  48           1HZ      LYS  48  -0.327  -7.369  -0.117
  359    HZ3  LYS  48           2HZ      LYS  48  -1.932  -7.006   0.196
  360    HA   PRO  49           HA       PRO  49  -2.332 -11.728   4.779
  361    HB2  PRO  49           2HB      PRO  49  -3.463  -9.638   6.544
  362    HB3  PRO  49           1HB      PRO  49  -3.578 -11.403   6.688
  363    HG2  PRO  49           2HG      PRO  49  -2.076 -10.025   8.362
  364    HG3  PRO  49           1HG      PRO  49  -1.564 -11.612   7.752
  365    HD2  PRO  49           2HD      PRO  49  -0.633  -8.902   6.917
  366    HD3  PRO  49           1HD      PRO  49   0.285 -10.403   7.169
  367    H    CYS  50           H        CYS  50  -3.553 -11.327   3.103
  368    HA   CYS  50           HA       CYS  50  -4.040  -8.591   2.291
  369    HB2  CYS  50           2HB      CYS  50  -4.421 -11.007   0.556
  370    HB3  CYS  50           1HB      CYS  50  -4.229  -9.303   0.137
  371    H    THR  51           H        THR  51  -6.017  -9.317   0.424
  372    HA   THR  51           HA       THR  51  -8.437  -9.413   1.718
  373    HB   THR  51           HB       THR  51  -9.103  -9.712  -0.747
  374    HG1  THR  51           1HG      THR  51  -7.597 -10.067  -2.166
  375   HG21  THR  51          3HG2      THR  51  -8.560  -7.446   0.334
  376   HG22  THR  51          1HG2      THR  51  -8.256  -7.541  -1.417
  377   HG23  THR  51          2HG2      THR  51  -6.922  -7.701  -0.317
  378    H    VAL  52           H        VAL  52  -6.655 -11.610  -0.267
  379    HA   VAL  52           HA       VAL  52  -8.476 -13.838   0.274
  380    HB   VAL  52           HB       VAL  52  -7.624 -14.833  -1.777
  381   HG11  VAL  52          1HG1      VAL  52  -9.529 -13.388  -1.949
  382   HG12  VAL  52          2HG1      VAL  52  -8.481 -13.026  -3.328
  383   HG13  VAL  52          3HG1      VAL  52  -8.518 -11.951  -1.926
  384   HG21  VAL  52          3HG2      VAL  52  -5.292 -13.937  -1.690
  385   HG22  VAL  52          1HG2      VAL  52  -5.906 -12.329  -2.052
  386   HG23  VAL  52          2HG2      VAL  52  -6.052 -13.601  -3.242
  387    H    GLY  53           H        GLY  53  -5.295 -12.964   1.164
  388    HA2  GLY  53           2HA      GLY  53  -4.769 -15.209   2.585
  389    HA3  GLY  53           1HA      GLY  53  -4.090 -15.474   0.964
  390    H    PHE  54           H        PHE  54  -2.002 -15.072   0.921
  391    HA   PHE  54           HA       PHE  54  -1.008 -12.783   2.471
  392    HB2  PHE  54           2HB      PHE  54   0.422 -15.386   1.895
  393    HB3  PHE  54           1HB      PHE  54   1.230 -13.981   2.592
  394    HD1  PHE  54           1HD      PHE  54   0.443 -13.136   4.822
  395    HD2  PHE  54           2HD      PHE  54  -0.778 -16.889   3.234
  396    HE1  PHE  54           1HE      PHE  54  -0.218 -13.866   7.073
  397    HE2  PHE  54           2HE      PHE  54  -1.443 -17.628   5.484
  398    HZ   PHE  54           HZ       PHE  54  -1.164 -16.117   7.407
  399    H    CYS  55           H        CYS  55   0.851 -11.816   1.560
  400    HA   CYS  55           HA       CYS  55   0.662 -11.730  -1.400
  401    HB2  CYS  55           2HB      CYS  55   0.056  -9.702  -0.172
  402    HB3  CYS  55           1HB      CYS  55   1.651  -9.737   0.578
  403    H    ASP  56           H        ASP  56   2.594 -11.963  -2.597
  404    HA   ASP  56           HA       ASP  56   4.937 -11.809  -0.887
  405    HB2  ASP  56           2HB      ASP  56   4.242 -14.199  -1.545
  406    HB3  ASP  56           1HB      ASP  56   4.936 -13.800  -3.120
  407    H    MET  57           H        MET  57   6.867 -12.303  -3.006
  408    HA   MET  57           HA       MET  57   7.558  -9.666  -3.469
  409    HB2  MET  57           2HB      MET  57   8.456 -12.058  -5.025
  410    HB3  MET  57           1HB      MET  57   9.295 -10.513  -4.971
  411    HG2  MET  57           2HG      MET  57   8.944 -12.545  -2.781
  412    HG3  MET  57           1HG      MET  57  10.436 -12.070  -3.576
  413    HE1  MET  57           3HE      MET  57  10.903  -8.405  -2.143
  414    HE2  MET  57           1HE      MET  57  10.043  -8.839  -3.620
  415    HE3  MET  57           2HE      MET  57  11.570  -9.628  -3.225
  416    H    ASN  58           H        ASN  58   5.426 -11.534  -5.370
  417    HA   ASN  58           HA       ASN  58   5.840 -10.178  -7.880
  418    HB2  ASN  58           2HB      ASN  58   4.804 -12.487  -7.599
  419    HB3  ASN  58           1HB      ASN  58   3.362 -11.686  -6.994
  420   HD21  ASN  58          1HD2      ASN  58   2.060 -10.478  -8.495
  421   HD22  ASN  58          2HD2      ASN  58   2.260 -10.702 -10.193
  422    H    GLY  59           H        GLY  59   4.288  -9.384  -4.957
  423    HA2  GLY  59           2HA      GLY  59   3.135  -7.435  -4.377
  424    HA3  GLY  59           1HA      GLY  59   3.167  -6.970  -6.083
  425    H    LYS  60           H        LYS  60   2.095  -9.993  -4.785
  426    HA   LYS  60           HA       LYS  60  -0.796  -9.537  -5.204
  427    HB2  LYS  60           2HB      LYS  60   0.470 -10.321  -7.434
  428    HB3  LYS  60           1HB      LYS  60   0.644 -11.757  -6.397
  429    HG2  LYS  60           2HG      LYS  60  -1.750 -11.997  -6.211
  430    HG3  LYS  60           1HG      LYS  60  -2.004 -10.547  -7.178
  431    HD2  LYS  60           2HD      LYS  60  -1.040 -11.633  -9.113
  432    HD3  LYS  60           1HD      LYS  60  -0.631 -13.052  -8.144
  433    HE2  LYS  60           2HE      LYS  60  -3.421 -12.031  -8.689
  434    HE3  LYS  60           1HE      LYS  60  -2.665 -13.426  -9.459
  435    HZ1  LYS  60           3HZ      LYS  60  -3.280 -13.226  -6.518
  436    HZ2  LYS  60           1HZ      LYS  60  -2.488 -14.464  -7.242
  437    HZ3  LYS  60           2HZ      LYS  60  -4.049 -14.241  -7.603
  438    H    CYS  61           H        CYS  61  -1.897 -11.133  -4.589
  439    HA   CYS  61           HA       CYS  61  -0.792 -12.644  -2.369
  440    HB2  CYS  61           2HB      CYS  61  -3.256 -11.234  -3.060
  441    HB3  CYS  61           1HB      CYS  61  -3.192 -12.219  -1.536
  442    H    GLU  62           H        GLU  62  -1.157 -14.861  -2.635
  443    HA   GLU  62           HA       GLU  62  -1.126 -16.539  -4.144
  444    HB2  GLU  62           2HB      GLU  62  -3.729 -16.077  -2.871
  445    HB3  GLU  62           1HB      GLU  62  -3.573 -17.505  -3.916
  446    HG2  GLU  62           2HG      GLU  62  -3.148 -18.171  -1.626
  447    HG3  GLU  62           1HG      GLU  62  -1.623 -18.162  -2.512
  Start of MODEL   14
    1    H    PHE   1           1HT      PHE   1   7.529   5.947   4.032
    2    HA   PHE   1           HA       PHE   1   6.091   4.804   2.534
    3    HB2  PHE   1           2HB      PHE   1   4.875   3.628   5.080
    4    HB3  PHE   1           1HB      PHE   1   4.127   3.573   3.486
    5    HD1  PHE   1           2HD      PHE   1   4.868   2.305   1.868
    6    HD2  PHE   1           1HD      PHE   1   6.783   2.194   5.578
    7    HE1  PHE   1           2HE      PHE   1   5.973   0.117   1.206
    8    HE2  PHE   1           1HE      PHE   1   7.898   0.063   5.012
    9    HZ   PHE   1           HZ       PHE   1   7.487  -0.980   2.813
   10    H    CYS   2           H        CYS   2   3.372   5.095   3.115
   11    HA   CYS   2           HA       CYS   2   3.132   7.795   2.747
   12    HB2  CYS   2           2HB      CYS   2   1.210   5.713   3.250
   13    HB3  CYS   2           1HB      CYS   2   0.670   7.282   3.845
   14    H    GLU   3           H        GLU   3   3.344   6.352   5.930
   15    HA   GLU   3           HA       GLU   3   2.294   8.522   7.270
   16    HB2  GLU   3           2HB      GLU   3   3.995   7.624   9.170
   17    HB3  GLU   3           1HB      GLU   3   2.433   6.912   8.844
   18    HG2  GLU   3           2HG      GLU   3   4.206   5.236   9.175
   19    HG3  GLU   3           1HG      GLU   3   3.465   5.117   7.590
   20    H    ARG   4           H        ARG   4   5.843   7.935   7.155
   21    HA   ARG   4           HA       ARG   4   6.275  10.568   7.802
   22    HB2  ARG   4           2HB      ARG   4   8.621  10.184   7.424
   23    HB3  ARG   4           1HB      ARG   4   7.922   8.747   8.168
   24    HG2  ARG   4           2HG      ARG   4   8.089   7.498   6.263
   25    HG3  ARG   4           1HG      ARG   4   8.082   8.909   5.215
   26    HD2  ARG   4           2HD      ARG   4  10.386   9.371   6.467
   27    HD3  ARG   4           1HD      ARG   4  10.338   7.607   6.634
   28    HE   ARG   4           HE       ARG   4   9.612   7.960   4.106
   29   HH11  ARG   4          1HH1      ARG   4  12.537   8.873   5.834
   30   HH12  ARG   4          2HH1      ARG   4  13.431   9.276   4.427
   31   HH21  ARG   4          1HH2      ARG   4  10.670   8.590   2.262
   32   HH22  ARG   4          2HH2      ARG   4  12.302   9.096   2.218
   33    H    GLU   5           H        GLU   5   5.736   9.085   4.555
   34    HA   GLU   5           HA       GLU   5   7.223  11.082   3.172
   35    HB2  GLU   5           2HB      GLU   5   4.980   9.491   2.042
   36    HB3  GLU   5           1HB      GLU   5   6.279  10.220   1.106
   37    HG2  GLU   5           2HG      GLU   5   6.088   7.639   2.624
   38    HG3  GLU   5           1HG      GLU   5   6.560   7.901   0.970
   39    H    GLN   6           H        GLN   6   3.669  10.646   3.871
   40    HA   GLN   6           HA       GLN   6   3.164  13.247   2.524
   41    HB2  GLN   6           2HB      GLN   6   1.461  10.763   2.506
   42    HB3  GLN   6           1HB      GLN   6   1.056  12.296   1.762
   43    HG2  GLN   6           2HG      GLN   6   3.421  10.659   1.051
   44    HG3  GLN   6           1HG      GLN   6   1.837  10.511   0.249
   45   HE21  GLN   6          1HE2      GLN   6   1.156  12.164  -1.095
   46   HE22  GLN   6          2HE2      GLN   6   2.211  13.423  -1.646
   47    H    GLN   7           H        GLN   7   3.196  11.626   5.338
   48    HA   GLN   7           HA       GLN   7   2.213  11.516   7.156
   49    HB2  GLN   7           2HB      GLN   7   1.037  14.182   6.353
   50    HB3  GLN   7           1HB      GLN   7   0.815  13.523   7.970
   51    HG2  GLN   7           2HG      GLN   7   3.511  13.786   6.769
   52    HG3  GLN   7           1HG      GLN   7   2.754  15.183   7.560
   53   HE21  GLN   7          1HE2      GLN   7   4.153  12.001   8.012
   54   HE22  GLN   7          2HE2      GLN   7   4.287  12.127   9.729
   55    H    LEU   8           H        LEU   8   0.993  10.339   4.934
   56    HA   LEU   8           HA       LEU   8  -1.918  10.210   5.394
   57    HB2  LEU   8           2HB      LEU   8  -0.088   9.135   3.295
   58    HB3  LEU   8           1HB      LEU   8  -1.717   8.534   3.524
   59    HG   LEU   8           HG       LEU   8  -1.075  11.378   3.050
   60   HD11  LEU   8          1HD1      LEU   8  -1.820  10.864   0.645
   61   HD12  LEU   8          2HD1      LEU   8  -1.748   9.145   1.082
   62   HD13  LEU   8          3HD1      LEU   8  -0.282  10.126   1.090
   63   HD21  LEU   8          3HD2      LEU   8  -3.620   9.793   2.777
   64   HD22  LEU   8          1HD2      LEU   8  -3.441  11.484   2.313
   65   HD23  LEU   8          2HD2      LEU   8  -3.252  11.012   3.998
   66    H    GLU   9           H        GLU   9  -2.831   8.639   5.885
   67    HA   GLU   9           HA       GLU   9  -1.563   6.680   7.625
   68    HB2  GLU   9           2HB      GLU   9  -4.004   7.705   7.744
   69    HB3  GLU   9           1HB      GLU   9  -4.228   6.478   6.480
   70    HG2  GLU   9           2HG      GLU   9  -3.726   4.706   7.970
   71    HG3  GLU   9           1HG      GLU   9  -3.376   5.847   9.275
   72    H    SER  10           H        SER  10  -1.255   4.539   6.976
   73    HA   SER  10           HA       SER  10  -1.334   4.019   4.186
   74    HB2  SER  10           2HB      SER  10  -0.010   2.178   4.851
   75    HB3  SER  10           1HB      SER  10   0.435   3.752   5.647
   76    HG   SER  10           HG       SER  10  -1.319   2.216   7.087
   77    H    CYS  11           H        CYS  11  -2.397   2.123   3.405
   78    HA   CYS  11           HA       CYS  11  -4.206   0.736   5.162
   79    HB2  CYS  11           2HB      CYS  11  -6.289   1.367   4.081
   80    HB3  CYS  11           1HB      CYS  11  -5.470   2.896   4.325
   81    H    ALA  12           H        ALA  12  -5.439  -0.924   3.668
   82    HA   ALA  12           HA       ALA  12  -3.651  -1.677   1.487
   83    HB1  ALA  12           1HB      ALA  12  -3.426  -3.249   3.364
   84    HB2  ALA  12           2HB      ALA  12  -4.238  -4.025   2.003
   85    HB3  ALA  12           3HB      ALA  12  -5.176  -3.474   3.391
   86    H    CYS  13           H        CYS  13  -4.698  -1.774  -0.461
   87    HA   CYS  13           HA       CYS  13  -7.371  -1.008  -0.674
   88    HB2  CYS  13           2HB      CYS  13  -5.475  -2.330  -2.636
   89    HB3  CYS  13           1HB      CYS  13  -7.013  -1.615  -3.054
   90    H    ASN  14           H        ASN  14  -9.183  -2.000  -0.605
   91    HA   ASN  14           HA       ASN  14  -9.552  -4.506   0.532
   92    HB2  ASN  14           2HB      ASN  14 -11.257  -2.700   0.467
   93    HB3  ASN  14           1HB      ASN  14 -11.489  -3.015  -1.248
   94   HD21  ASN  14          1HD2      ASN  14 -12.722  -4.835  -1.876
   95   HD22  ASN  14          2HD2      ASN  14 -13.608  -5.759  -0.712
   96    H    GLU  15           H        GLU  15  -9.067  -3.700  -2.758
   97    HA   GLU  15           HA       GLU  15 -10.033  -6.064  -3.776
   98    HB2  GLU  15           2HB      GLU  15  -9.840  -3.875  -5.032
   99    HB3  GLU  15           1HB      GLU  15  -8.100  -4.115  -5.020
  100    HG2  GLU  15           2HG      GLU  15  -9.985  -6.029  -6.361
  101    HG3  GLU  15           1HG      GLU  15  -9.258  -4.643  -7.174
  102    H    THR  16           H        THR  16  -8.762  -8.009  -4.077
  103    HA   THR  16           HA       THR  16  -6.710  -8.544  -2.322
  104    HB   THR  16           HB       THR  16  -7.493 -10.022  -4.825
  105    HG1  THR  16           1HG      THR  16  -8.372  -9.910  -2.174
  106   HG21  THR  16          3HG2      THR  16  -5.922 -11.093  -2.428
  107   HG22  THR  16          1HG2      THR  16  -5.208 -10.558  -3.974
  108   HG23  THR  16          2HG2      THR  16  -6.326 -11.927  -3.926
  109    H    ASP  17           H        ASP  17  -6.406  -7.924  -5.832
  110    HA   ASP  17           HA       ASP  17  -3.698  -8.606  -5.746
  111    HB2  ASP  17           2HB      ASP  17  -5.106  -8.658  -7.811
  112    HB3  ASP  17           1HB      ASP  17  -5.114  -6.890  -7.712
  113    H    ASN  18           H        ASN  18  -5.570  -5.618  -5.479
  114    HA   ASN  18           HA       ASN  18  -3.246  -4.024  -5.479
  115    HB2  ASN  18           2HB      ASN  18  -6.124  -3.329  -5.206
  116    HB3  ASN  18           1HB      ASN  18  -4.879  -2.155  -4.803
  117   HD21  ASN  18          1HD2      ASN  18  -6.190  -4.154  -7.386
  118   HD22  ASN  18          2HD2      ASN  18  -5.550  -3.230  -8.685
  119    H    SER  19           H        SER  19  -4.568  -5.875  -3.200
  120    HA   SER  19           HA       SER  19  -3.772  -4.099  -1.084
  121    HB2  SER  19           2HB      SER  19  -4.134  -5.973   0.530
  122    HB3  SER  19           1HB      SER  19  -5.511  -5.643  -0.517
  123    HG   SER  19           HG       SER  19  -4.263  -7.508  -1.798
  124    H    CYS  20           H        CYS  20  -2.117  -5.664  -3.263
  125    HA   CYS  20           HA       CYS  20   0.217  -5.968  -1.597
  126    HB2  CYS  20           2HB      CYS  20  -0.583  -7.040  -4.225
  127    HB3  CYS  20           1HB      CYS  20   1.145  -6.857  -3.875
  128    H    LYS  21           H        LYS  21  -1.050  -3.342  -2.647
  129    HA   LYS  21           HA       LYS  21   1.585  -2.126  -3.200
  130    HB2  LYS  21           2HB      LYS  21  -1.108  -1.375  -4.153
  131    HB3  LYS  21           1HB      LYS  21   0.335  -0.377  -4.395
  132    HG2  LYS  21           2HG      LYS  21   0.086  -1.264  -6.514
  133    HG3  LYS  21           1HG      LYS  21   1.017  -2.580  -5.799
  134    HD2  LYS  21           2HD      LYS  21  -1.025  -3.782  -5.294
  135    HD3  LYS  21           1HD      LYS  21  -1.980  -2.436  -5.915
  136    HE2  LYS  21           2HE      LYS  21  -0.933  -2.790  -8.135
  137    HE3  LYS  21           1HE      LYS  21  -0.133  -4.226  -7.485
  138    HZ1  LYS  21           3HZ      LYS  21  -2.179  -5.030  -8.488
  139    HZ2  LYS  21           1HZ      LYS  21  -3.069  -3.798  -7.745
  140    HZ3  LYS  21           2HZ      LYS  21  -2.357  -5.054  -6.887
  141    H    VAL  22           H        VAL  22   1.823  -0.263  -2.596
  142    HA   VAL  22           HA       VAL  22   0.918  -0.173   0.072
  143    HB   VAL  22           HB       VAL  22   2.749   1.666  -1.469
  144   HG11  VAL  22          1HG1      VAL  22   1.683   2.792   0.239
  145   HG12  VAL  22          2HG1      VAL  22   3.334   2.482   0.839
  146   HG13  VAL  22          3HG1      VAL  22   1.943   1.519   1.411
  147   HG21  VAL  22          3HG2      VAL  22   3.365  -0.532   0.538
  148   HG22  VAL  22          1HG2      VAL  22   4.532   0.386  -0.399
  149   HG23  VAL  22          2HG2      VAL  22   3.448  -0.816  -1.172
  150    H    CYS  23           H        CYS  23  -0.960   0.360   0.173
  151    HA   CYS  23           HA       CYS  23  -1.978   2.737  -1.246
  152    HB2  CYS  23           2HB      CYS  23  -3.686   0.977   0.497
  153    HB3  CYS  23           1HB      CYS  23  -4.108   2.133  -0.782
  154    H    CYS  24           H        CYS  24  -3.363   4.229  -0.027
  155    HA   CYS  24           HA       CYS  24  -2.413   4.737   2.644
  156    HB2  CYS  24           2HB      CYS  24  -2.402   6.701   0.339
  157    HB3  CYS  24           1HB      CYS  24  -1.909   7.068   1.980
  158    H    ARG  25           H        ARG  25  -3.873   6.419   3.606
  159    HA   ARG  25           HA       ARG  25  -6.516   5.811   2.542
  160    HB2  ARG  25           2HB      ARG  25  -5.569   4.777   4.760
  161    HB3  ARG  25           1HB      ARG  25  -5.888   6.379   5.386
  162    HG2  ARG  25           2HG      ARG  25  -8.040   5.122   3.914
  163    HG3  ARG  25           1HG      ARG  25  -7.639   4.407   5.491
  164    HD2  ARG  25           2HD      ARG  25  -8.323   7.311   4.885
  165    HD3  ARG  25           1HD      ARG  25  -9.407   6.153   5.662
  166    HE   ARG  25           HE       ARG  25  -7.279   6.098   7.279
  167   HH11  ARG  25          1HH1      ARG  25  -8.982   8.895   5.929
  168   HH12  ARG  25          2HH1      ARG  25  -8.831   9.858   7.326
  169   HH21  ARG  25          1HH2      ARG  25  -6.979   7.383   9.136
  170   HH22  ARG  25          2HH2      ARG  25  -7.604   8.956   9.266
  171    H    ASP  26           H        ASP  26  -7.674   7.524   2.015
  172    HA   ASP  26           HA       ASP  26  -6.393  10.071   2.406
  173    HB2  ASP  26           2HB      ASP  26  -7.456  10.803   0.476
  174    HB3  ASP  26           1HB      ASP  26  -7.241   9.086   0.123
  175    H    LEU  27           H        LEU  27  -8.264  11.627   2.155
  176    HA   LEU  27           HA       LEU  27  -9.058  12.314   4.679
  177    HB2  LEU  27           2HB      LEU  27 -10.432  13.212   2.201
  178    HB3  LEU  27           1HB      LEU  27 -10.252  14.098   3.696
  179    HG   LEU  27           HG       LEU  27  -7.910  13.384   1.955
  180   HD11  LEU  27          1HD1      LEU  27  -8.156  15.585   0.976
  181   HD12  LEU  27          2HD1      LEU  27  -9.628  15.832   1.949
  182   HD13  LEU  27          3HD1      LEU  27  -9.572  14.539   0.742
  183   HD21  LEU  27          3HD2      LEU  27  -7.453  13.988   4.280
  184   HD22  LEU  27          1HD2      LEU  27  -8.353  15.492   4.073
  185   HD23  LEU  27          2HD2      LEU  27  -6.862  15.219   3.158
  186    H    SER  28           H        SER  28 -10.931  11.197   1.972
  187    HA   SER  28           HA       SER  28 -13.307  11.121   3.520
  188    HB2  SER  28           2HB      SER  28 -13.452  11.990   1.257
  189    HB3  SER  28           1HB      SER  28 -12.814  10.483   0.610
  190    HG   SER  28           HG       SER  28 -14.833   9.704   1.929
  191    H    GLY  29           H        GLY  29 -10.811   9.287   3.420
  192    HA2  GLY  29           2HA      GLY  29 -10.342   7.421   4.193
  193    HA3  GLY  29           1HA      GLY  29 -12.025   7.141   4.668
  194    H    ARG  30           H        ARG  30 -10.357   7.326   1.475
  195    HA   ARG  30           HA       ARG  30 -11.259   4.580   0.996
  196    HB2  ARG  30           2HB      ARG  30 -10.558   6.754  -1.006
  197    HB3  ARG  30           1HB      ARG  30 -10.823   5.081  -1.439
  198    HG2  ARG  30           2HG      ARG  30 -12.780   6.260  -2.019
  199    HG3  ARG  30           1HG      ARG  30 -13.175   5.356  -0.562
  200    HD2  ARG  30           2HD      ARG  30 -14.049   7.677  -0.564
  201    HD3  ARG  30           1HD      ARG  30 -12.961   7.337   0.781
  202    HE   ARG  30           HE       ARG  30 -11.291   8.614  -0.223
  203   HH11  ARG  30          1HH1      ARG  30 -14.285   8.776  -2.097
  204   HH12  ARG  30          2HH1      ARG  30 -13.951  10.287  -2.814
  205   HH21  ARG  30          1HH2      ARG  30 -10.851  10.661  -1.075
  206   HH22  ARG  30          2HH2      ARG  30 -11.856  11.429  -2.229
  207    H    CYS  31           H        CYS  31  -9.695   3.480  -0.558
  208    HA   CYS  31           HA       CYS  31  -7.016   3.959   0.426
  209    HB2  CYS  31           2HB      CYS  31  -8.378   1.516  -0.604
  210    HB3  CYS  31           1HB      CYS  31  -6.624   1.649  -0.714
  211    H    VAL  32           H        VAL  32  -5.732   5.005  -0.729
  212    HA   VAL  32           HA       VAL  32  -6.026   4.835  -3.516
  213    HB   VAL  32           HB       VAL  32  -4.625   7.087  -3.455
  214   HG11  VAL  32          1HG1      VAL  32  -6.774   6.775  -4.422
  215   HG12  VAL  32          2HG1      VAL  32  -6.749   8.312  -3.532
  216   HG13  VAL  32          3HG1      VAL  32  -7.575   6.897  -2.851
  217   HG21  VAL  32          3HG2      VAL  32  -4.499   6.863  -0.911
  218   HG22  VAL  32          1HG2      VAL  32  -6.177   7.379  -0.861
  219   HG23  VAL  32          2HG2      VAL  32  -4.955   8.461  -1.530
  220    HA   PRO  33           HA       PRO  33  -1.999   2.965  -3.469
  221    HB2  PRO  33           2HB      PRO  33  -1.178   3.712  -5.995
  222    HB3  PRO  33           1HB      PRO  33  -2.300   2.369  -5.700
  223    HG2  PRO  33           2HG      PRO  33  -2.909   5.154  -6.546
  224    HG3  PRO  33           1HG      PRO  33  -3.640   3.626  -7.078
  225    HD2  PRO  33           2HD      PRO  33  -4.897   5.226  -5.294
  226    HD3  PRO  33           1HD      PRO  33  -4.992   3.456  -5.221
  227    H    TYR  34           H        TYR  34  -0.171   3.767  -2.454
  228    HA   TYR  34           HA       TYR  34   0.302   6.448  -2.109
  229    HB2  TYR  34           2HB      TYR  34   1.326   5.264  -0.555
  230    HB3  TYR  34           1HB      TYR  34   1.878   3.988  -1.642
  231    HD1  TYR  34           1HD      TYR  34   2.757   7.503  -0.262
  232    HD2  TYR  34           2HD      TYR  34   4.066   4.164  -2.656
  233    HE1  TYR  34           1HE      TYR  34   4.792   8.264  -0.166
  234    HE2  TYR  34           2HE      TYR  34   6.265   5.062  -2.554
  235    HH   TYR  34           HH       TYR  34   7.098   7.681  -2.173
  236    H    VAL  35           H        VAL  35   1.337   8.001  -3.018
  237    HA   VAL  35           HA       VAL  35   3.584   7.495  -4.526
  238    HB   VAL  35           HB       VAL  35   2.254   9.785  -5.409
  239   HG11  VAL  35          1HG1      VAL  35   3.253   7.479  -7.008
  240   HG12  VAL  35          2HG1      VAL  35   4.106   8.923  -6.454
  241   HG13  VAL  35          3HG1      VAL  35   2.827   9.077  -7.664
  242   HG21  VAL  35          3HG2      VAL  35   0.189   8.547  -5.087
  243   HG22  VAL  35          1HG2      VAL  35   0.694   7.334  -6.246
  244   HG23  VAL  35          2HG2      VAL  35   0.377   8.996  -6.798
  245    H    ASP  36           H        ASP  36   4.847   9.191  -3.907
  246    HA   ASP  36           HA       ASP  36   3.754  11.354  -2.150
  247    HB2  ASP  36           2HB      ASP  36   5.694  11.097  -0.968
  248    HB3  ASP  36           1HB      ASP  36   5.212   9.429  -1.362
  249    H    ALA  37           H        ALA  37   5.592  12.678  -2.006
  250    HA   ALA  37           HA       ALA  37   4.534  14.191  -3.876
  251    HB1  ALA  37           1HB      ALA  37   5.100  14.677  -1.755
  252    HB2  ALA  37           2HB      ALA  37   5.768  15.963  -2.833
  253    HB3  ALA  37           3HB      ALA  37   6.829  14.699  -2.095
  254    H    GLU  38           H        GLU  38   7.473  12.296  -3.748
  255    HA   GLU  38           HA       GLU  38   8.777  13.508  -5.828
  256    HB2  GLU  38           2HB      GLU  38   9.044  11.087  -4.241
  257    HB3  GLU  38           1HB      GLU  38  10.161  11.323  -5.598
  258    HG2  GLU  38           2HG      GLU  38  10.840  13.475  -4.440
  259    HG3  GLU  38           1HG      GLU  38   9.852  12.965  -3.069
  260    H    GLN  39           H        GLN  39   5.934  11.519  -5.691
  261    HA   GLN  39           HA       GLN  39   4.808  10.480  -6.973
  262    HB2  GLN  39           2HB      GLN  39   6.834  11.522  -8.700
  263    HB3  GLN  39           1HB      GLN  39   5.554  10.518  -9.480
  264    HG2  GLN  39           2HG      GLN  39   3.924  12.139  -8.546
  265    HG3  GLN  39           1HG      GLN  39   5.261  13.029  -7.818
  266   HE21  GLN  39          1HE2      GLN  39   6.579  14.253  -9.137
  267   HE22  GLN  39          2HE2      GLN  39   6.130  14.687 -10.758
  268    H    LYS  40           H        LYS  40   6.932   9.169  -5.434
  269    HA   LYS  40           HA       LYS  40   7.783   6.963  -7.062
  270    HB2  LYS  40           2HB      LYS  40   7.815   7.379  -4.126
  271    HB3  LYS  40           1HB      LYS  40   8.716   6.128  -5.026
  272    HG2  LYS  40           2HG      LYS  40   9.845   7.984  -6.145
  273    HG3  LYS  40           1HG      LYS  40   9.033   9.074  -4.985
  274    HD2  LYS  40           2HD      LYS  40  11.007   6.848  -4.282
  275    HD3  LYS  40           1HD      LYS  40  11.379   8.564  -4.236
  276    HE2  LYS  40           2HE      LYS  40   9.280   7.216  -2.511
  277    HE3  LYS  40           1HE      LYS  40  10.927   7.536  -1.999
  278    HZ1  LYS  40           3HZ      LYS  40   8.885   9.616  -2.695
  279    HZ2  LYS  40           1HZ      LYS  40  10.478   9.940  -2.277
  280    HZ3  LYS  40           2HZ      LYS  40   9.435   9.242  -1.180
  281    H    ASN  41           H        ASN  41   6.929   5.027  -6.859
  282    HA   ASN  41           HA       ASN  41   4.436   4.857  -5.363
  283    HB2  ASN  41           2HB      ASN  41   4.304   4.849  -7.891
  284    HB3  ASN  41           1HB      ASN  41   5.294   3.392  -7.764
  285   HD21  ASN  41          1HD2      ASN  41   2.117   4.668  -6.831
  286   HD22  ASN  41          2HD2      ASN  41   1.316   3.143  -6.858
  287    H    LEU  42           H        LEU  42   4.080   2.260  -5.241
  288    HA   LEU  42           HA       LEU  42   6.468   0.841  -4.483
  289    HB2  LEU  42           2HB      LEU  42   4.629   1.956  -2.437
  290    HB3  LEU  42           1HB      LEU  42   5.542   0.494  -2.161
  291    HG   LEU  42           HG       LEU  42   6.839   3.102  -2.850
  292   HD11  LEU  42          1HD1      LEU  42   5.658   3.581  -1.031
  293   HD12  LEU  42          2HD1      LEU  42   7.197   3.071  -0.270
  294   HD13  LEU  42          3HD1      LEU  42   5.764   1.985  -0.321
  295   HD21  LEU  42          3HD2      LEU  42   7.822   0.588  -1.486
  296   HD22  LEU  42          1HD2      LEU  42   8.773   2.045  -1.775
  297   HD23  LEU  42          2HD2      LEU  42   8.206   1.079  -3.137
  298    H    PHE  43           H        PHE  43   6.048  -1.151  -5.057
  299    HA   PHE  43           HA       PHE  43   3.457  -2.173  -4.830
  300    HB2  PHE  43           2HB      PHE  43   5.222  -2.359  -6.751
  301    HB3  PHE  43           1HB      PHE  43   5.901  -3.625  -5.754
  302    HD1  PHE  43           1HD      PHE  43   4.131  -5.438  -4.936
  303    HD2  PHE  43           2HD      PHE  43   3.686  -2.948  -8.348
  304    HE1  PHE  43           1HE      PHE  43   2.543  -7.040  -5.896
  305    HE2  PHE  43           2HE      PHE  43   2.090  -4.543  -9.316
  306    HZ   PHE  43           HZ       PHE  43   1.515  -6.594  -8.088
  307    H    LEU  44           H        LEU  44   3.073  -3.454  -2.873
  308    HA   LEU  44           HA       LEU  44   4.831  -3.392  -0.975
  309    HB2  LEU  44           2HB      LEU  44   2.358  -4.989  -1.326
  310    HB3  LEU  44           1HB      LEU  44   3.388  -5.426   0.021
  311    HG   LEU  44           HG       LEU  44   2.260  -2.651  -0.408
  312   HD11  LEU  44          1HD1      LEU  44   1.346  -4.873   1.421
  313   HD12  LEU  44          2HD1      LEU  44   0.473  -4.272   0.009
  314   HD13  LEU  44          3HD1      LEU  44   0.719  -3.226   1.404
  315   HD21  LEU  44          3HD2      LEU  44   4.320  -2.703   0.919
  316   HD22  LEU  44          1HD2      LEU  44   3.626  -3.955   1.950
  317   HD23  LEU  44          2HD2      LEU  44   2.928  -2.340   1.933
  318    H    ARG  45           H        ARG  45   6.055  -5.461   0.055
  319    HA   ARG  45           HA       ARG  45   6.841  -7.265  -2.005
  320    HB2  ARG  45           2HB      ARG  45   8.046  -6.023   0.219
  321    HB3  ARG  45           1HB      ARG  45   8.319  -7.772   0.295
  322    HG2  ARG  45           2HG      ARG  45  10.205  -6.662  -0.854
  323    HG3  ARG  45           1HG      ARG  45   9.344  -7.736  -1.940
  324    HD2  ARG  45           2HD      ARG  45   9.033  -4.715  -1.854
  325    HD3  ARG  45           1HD      ARG  45  10.037  -5.588  -3.003
  326    HE   ARG  45           HE       ARG  45   7.096  -5.667  -2.861
  327   HH11  ARG  45          1HH1      ARG  45  10.026  -6.063  -4.824
  328   HH12  ARG  45          2HH1      ARG  45   9.170  -6.381  -6.259
  329   HH21  ARG  45          1HH2      ARG  45   5.962  -6.112  -4.729
  330   HH22  ARG  45          2HH2      ARG  45   6.712  -6.438  -6.215
  331    H    LYS  46           H        LYS  46   7.419  -9.565  -1.070
  332    HA   LYS  46           HA       LYS  46   4.813 -10.538  -0.437
  333    HB2  LYS  46           2HB      LYS  46   5.605 -12.763  -0.882
  334    HB3  LYS  46           1HB      LYS  46   6.117 -11.673  -2.156
  335    HG2  LYS  46           2HG      LYS  46   8.365 -11.628  -1.190
  336    HG3  LYS  46           1HG      LYS  46   7.834 -12.726   0.078
  337    HD2  LYS  46           2HD      LYS  46   7.778 -13.374  -2.882
  338    HD3  LYS  46           1HD      LYS  46   9.080 -13.835  -1.800
  339    HE2  LYS  46           2HE      LYS  46   7.688 -15.768  -2.079
  340    HE3  LYS  46           1HE      LYS  46   7.373 -15.150  -0.467
  341    HZ1  LYS  46           3HZ      LYS  46   5.353 -15.859  -1.765
  342    HZ2  LYS  46           1HZ      LYS  46   5.581 -14.574  -2.802
  343    HZ3  LYS  46           2HZ      LYS  46   5.200 -14.409  -1.144
  344    H    GLY  47           H        GLY  47   4.257 -12.092   1.042
  345    HA2  GLY  47           2HA      GLY  47   4.084 -13.077   3.056
  346    HA3  GLY  47           1HA      GLY  47   5.824 -12.827   3.325
  347    H    LYS  48           H        LYS  48   3.396 -10.418   2.586
  348    HA   LYS  48           HA       LYS  48   3.579  -9.362   5.312
  349    HB2  LYS  48           2HB      LYS  48   3.263  -8.217   2.623
  350    HB3  LYS  48           1HB      LYS  48   3.120  -7.164   4.068
  351    HG2  LYS  48           2HG      LYS  48   5.540  -8.688   3.031
  352    HG3  LYS  48           1HG      LYS  48   5.336  -6.939   3.025
  353    HD2  LYS  48           2HD      LYS  48   5.661  -6.770   5.322
  354    HD3  LYS  48           1HD      LYS  48   5.254  -8.457   5.619
  355    HE2  LYS  48           2HE      LYS  48   7.728  -7.488   4.192
  356    HE3  LYS  48           1HE      LYS  48   7.660  -8.010   5.876
  357    HZ1  LYS  48           3HZ      LYS  48   6.826 -10.205   5.019
  358    HZ2  LYS  48           1HZ      LYS  48   8.419  -9.861   4.554
  359    HZ3  LYS  48           2HZ      LYS  48   7.151  -9.699   3.464
  360    HA   PRO  49           HA       PRO  49  -0.793 -10.148   5.336
  361    HB2  PRO  49           2HB      PRO  49  -1.380  -7.540   6.568
  362    HB3  PRO  49           1HB      PRO  49  -1.558  -9.164   7.263
  363    HG2  PRO  49           2HG      PRO  49   0.326  -7.504   8.136
  364    HG3  PRO  49           1HG      PRO  49   0.593  -9.255   8.024
  365    HD2  PRO  49           2HD      PRO  49   1.514  -7.099   6.171
  366    HD3  PRO  49           1HD      PRO  49   2.393  -8.516   6.785
  367    H    CYS  50           H        CYS  50  -2.237 -10.022   3.696
  368    HA   CYS  50           HA       CYS  50  -2.738  -7.427   2.564
  369    HB2  CYS  50           2HB      CYS  50  -2.963  -8.362   0.334
  370    HB3  CYS  50           1HB      CYS  50  -1.450  -8.966   0.985
  371    H    THR  51           H        THR  51  -4.946  -8.435   0.964
  372    HA   THR  51           HA       THR  51  -7.087  -8.295   2.737
  373    HB   THR  51           HB       THR  51  -8.304  -9.332   0.690
  374    HG1  THR  51           1HG      THR  51  -5.938  -8.608  -0.658
  375   HG21  THR  51          3HG2      THR  51  -8.244  -6.941   1.240
  376   HG22  THR  51          1HG2      THR  51  -8.103  -7.229  -0.510
  377   HG23  THR  51          2HG2      THR  51  -6.658  -6.869   0.439
  378    H    VAL  52           H        VAL  52  -6.273 -10.955   0.742
  379    HA   VAL  52           HA       VAL  52  -7.895 -12.763   2.293
  380    HB   VAL  52           HB       VAL  52  -7.469 -14.433   0.540
  381   HG11  VAL  52          1HG1      VAL  52  -9.326 -12.904   0.298
  382   HG12  VAL  52          2HG1      VAL  52  -8.583 -13.144  -1.290
  383   HG13  VAL  52          3HG1      VAL  52  -8.262 -11.670  -0.369
  384   HG21  VAL  52          3HG2      VAL  52  -5.143 -13.606   0.011
  385   HG22  VAL  52          1HG2      VAL  52  -5.878 -12.282  -0.893
  386   HG23  VAL  52          2HG2      VAL  52  -6.143 -13.946  -1.399
  387    H    GLY  53           H        GLY  53  -4.568 -12.073   2.400
  388    HA2  GLY  53           2HA      GLY  53  -4.068 -13.767   4.446
  389    HA3  GLY  53           1HA      GLY  53  -3.603 -14.628   2.967
  390    H    PHE  54           H        PHE  54  -1.566 -14.380   2.401
  391    HA   PHE  54           HA       PHE  54  -0.204 -11.971   3.353
  392    HB2  PHE  54           2HB      PHE  54   1.000 -14.611   2.461
  393    HB3  PHE  54           1HB      PHE  54   1.943 -13.179   2.862
  394    HD1  PHE  54           1HD      PHE  54   1.970 -12.332   5.166
  395    HD2  PHE  54           2HD      PHE  54   0.090 -16.011   4.148
  396    HE1  PHE  54           1HE      PHE  54   1.998 -12.991   7.532
  397    HE2  PHE  54           2HE      PHE  54   0.110 -16.680   6.516
  398    HZ   PHE  54           HZ       PHE  54   1.066 -15.169   8.212
  399    H    CYS  55           H        CYS  55   1.100 -10.914   2.005
  400    HA   CYS  55           HA       CYS  55   0.038 -10.611  -0.675
  401    HB2  CYS  55           2HB      CYS  55   0.452  -8.670   0.818
  402    HB3  CYS  55           1HB      CYS  55   2.135  -9.184   0.871
  403    H    ASP  56           H        ASP  56   1.229 -11.085  -2.528
  404    HA   ASP  56           HA       ASP  56   3.962 -11.827  -2.041
  405    HB2  ASP  56           2HB      ASP  56   2.856 -13.750  -2.987
  406    HB3  ASP  56           1HB      ASP  56   2.104 -12.768  -4.251
  407    H    MET  57           H        MET  57   5.391 -11.284  -3.844
  408    HA   MET  57           HA       MET  57   5.399  -8.484  -4.257
  409    HB2  MET  57           2HB      MET  57   7.455  -8.874  -5.460
  410    HB3  MET  57           1HB      MET  57   7.400  -9.691  -3.884
  411    HG2  MET  57           2HG      MET  57   6.922 -11.801  -5.051
  412    HG3  MET  57           1HG      MET  57   7.042 -10.957  -6.595
  413    HE1  MET  57           3HE      MET  57   8.727 -13.559  -5.904
  414    HE2  MET  57           1HE      MET  57  10.313 -13.108  -6.531
  415    HE3  MET  57           2HE      MET  57   8.857 -12.696  -7.438
  416    H    ASN  58           H        ASN  58   4.243 -11.058  -6.163
  417    HA   ASN  58           HA       ASN  58   4.213  -9.508  -8.636
  418    HB2  ASN  58           2HB      ASN  58   4.587 -11.995  -8.641
  419    HB3  ASN  58           1HB      ASN  58   2.936 -12.209  -8.084
  420   HD21  ASN  58          1HD2      ASN  58   4.971 -11.399 -10.765
  421   HD22  ASN  58          2HD2      ASN  58   3.748 -11.483 -11.985
  422    H    GLY  59           H        GLY  59   2.318  -9.506  -5.892
  423    HA2  GLY  59           2HA      GLY  59   0.490  -7.974  -5.741
  424    HA3  GLY  59           1HA      GLY  59   0.085  -8.335  -7.413
  425    H    LYS  60           H        LYS  60   0.845 -11.135  -6.224
  426    HA   LYS  60           HA       LYS  60  -1.954 -12.009  -5.773
  427    HB2  LYS  60           2HB      LYS  60   0.657 -13.404  -6.250
  428    HB3  LYS  60           1HB      LYS  60  -0.711 -14.245  -5.570
  429    HG2  LYS  60           2HG      LYS  60  -0.543 -14.741  -7.954
  430    HG3  LYS  60           1HG      LYS  60  -2.004 -13.826  -7.617
  431    HD2  LYS  60           2HD      LYS  60   0.491 -12.428  -8.568
  432    HD3  LYS  60           1HD      LYS  60  -0.565 -13.242  -9.717
  433    HE2  LYS  60           2HE      LYS  60  -2.410 -11.836  -9.106
  434    HE3  LYS  60           1HE      LYS  60  -1.501 -11.149  -7.766
  435    HZ1  LYS  60           3HZ      LYS  60  -1.606  -9.654  -9.530
  436    HZ2  LYS  60           1HZ      LYS  60  -0.918 -10.719 -10.666
  437    HZ3  LYS  60           2HZ      LYS  60   0.003 -10.123  -9.371
  438    H    CYS  61           H        CYS  61  -2.271 -13.563  -4.218
  439    HA   CYS  61           HA       CYS  61  -0.920 -12.744  -1.830
  440    HB2  CYS  61           2HB      CYS  61  -3.664 -12.667  -2.644
  441    HB3  CYS  61           1HB      CYS  61  -3.433 -13.169  -0.931
  442    H    GLU  62           H        GLU  62  -0.837 -14.273  -0.292
  443    HA   GLU  62           HA       GLU  62  -0.876 -16.985  -1.270
  444    HB2  GLU  62           2HB      GLU  62   0.905 -15.721   0.850
  445    HB3  GLU  62           1HB      GLU  62   1.078 -17.330   0.165
  446    HG2  GLU  62           2HG      GLU  62   1.654 -16.375  -2.002
  447    HG3  GLU  62           1HG      GLU  62   1.391 -14.756  -1.379
  Start of MODEL   15
    1    H    PHE   1           1HT      PHE   1   6.459   4.640   5.340
    2    HA   PHE   1           HA       PHE   1   6.676   3.672   3.317
    3    HB2  PHE   1           2HB      PHE   1   4.837   2.119   2.507
    4    HB3  PHE   1           1HB      PHE   1   6.112   1.394   3.495
    5    HD1  PHE   1           1HD      PHE   1   2.583   2.303   3.210
    6    HD2  PHE   1           2HD      PHE   1   5.532   0.536   5.712
    7    HE1  PHE   1           1HE      PHE   1   0.819   1.306   4.565
    8    HE2  PHE   1           2HE      PHE   1   3.761  -0.457   7.099
    9    HZ   PHE   1           HZ       PHE   1   1.396  -0.077   6.527
   10    H    CYS   2           H        CYS   2   3.690   4.501   4.884
   11    HA   CYS   2           HA       CYS   2   3.684   6.654   2.951
   12    HB2  CYS   2           2HB      CYS   2   1.875   5.068   2.418
   13    HB3  CYS   2           1HB      CYS   2   1.207   5.305   4.029
   14    H    GLU   3           H        GLU   3   3.361   5.622   6.214
   15    HA   GLU   3           HA       GLU   3   1.886   7.627   7.468
   16    HB2  GLU   3           2HB      GLU   3   4.098   6.443   9.057
   17    HB3  GLU   3           1HB      GLU   3   2.417   6.644   9.448
   18    HG2  GLU   3           2HG      GLU   3   2.882   4.320   9.413
   19    HG3  GLU   3           1HG      GLU   3   1.904   4.695   7.985
   20    H    ARG   4           H        ARG   4   5.401   7.448   7.136
   21    HA   ARG   4           HA       ARG   4   5.606   9.862   8.605
   22    HB2  ARG   4           2HB      ARG   4   7.755   8.231   7.292
   23    HB3  ARG   4           1HB      ARG   4   8.081   9.614   8.326
   24    HG2  ARG   4           2HG      ARG   4   8.537   7.761   9.670
   25    HG3  ARG   4           1HG      ARG   4   6.894   8.182  10.144
   26    HD2  ARG   4           2HD      ARG   4   7.298   5.721   9.778
   27    HD3  ARG   4           1HD      ARG   4   5.983   6.409   8.829
   28    HE   ARG   4           HE       ARG   4   7.350   6.396   6.914
   29   HH11  ARG   4          1HH1      ARG   4   8.604   4.459   9.573
   30   HH12  ARG   4          2HH1      ARG   4   9.702   3.557   8.635
   31   HH21  ARG   4          1HH2      ARG   4   8.777   5.216   5.581
   32   HH22  ARG   4          2HH2      ARG   4   9.830   4.028   6.214
   33    H    GLU   5           H        GLU   5   6.339   8.545   5.451
   34    HA   GLU   5           HA       GLU   5   7.534  10.713   4.331
   35    HB2  GLU   5           2HB      GLU   5   6.834   9.341   2.252
   36    HB3  GLU   5           1HB      GLU   5   8.183   8.864   3.358
   37    HG2  GLU   5           2HG      GLU   5   5.384   7.735   3.443
   38    HG3  GLU   5           1HG      GLU   5   6.629   7.026   2.430
   39    H    GLN   6           H        GLN   6   4.174   9.682   4.061
   40    HA   GLN   6           HA       GLN   6   3.636  12.061   2.347
   41    HB2  GLN   6           2HB      GLN   6   1.868   9.697   2.963
   42    HB3  GLN   6           1HB      GLN   6   1.459  11.047   1.929
   43    HG2  GLN   6           2HG      GLN   6   3.631   9.046   1.406
   44    HG3  GLN   6           1HG      GLN   6   1.959   9.063   0.780
   45   HE21  GLN   6          1HE2      GLN   6   1.421  10.377  -0.856
   46   HE22  GLN   6          2HE2      GLN   6   2.550  11.335  -1.742
   47    H    GLN   7           H        GLN   7   3.410  10.718   5.390
   48    HA   GLN   7           HA       GLN   7   2.595  11.052   7.143
   49    HB2  GLN   7           2HB      GLN   7   1.782  13.781   6.158
   50    HB3  GLN   7           1HB      GLN   7   1.688  13.311   7.856
   51    HG2  GLN   7           2HG      GLN   7   4.056  12.817   7.854
   52    HG3  GLN   7           1HG      GLN   7   4.148  13.278   6.163
   53   HE21  GLN   7          1HE2      GLN   7   3.774  14.388   9.413
   54   HE22  GLN   7          2HE2      GLN   7   4.051  16.076   9.095
   55    H    LEU   8           H        LEU   8   1.076  10.000   5.032
   56    HA   LEU   8           HA       LEU   8  -1.746  10.302   5.789
   57    HB2  LEU   8           2HB      LEU   8  -0.388   8.773   3.594
   58    HB3  LEU   8           1HB      LEU   8  -2.106   8.734   3.939
   59    HG   LEU   8           HG       LEU   8  -0.742  11.255   3.467
   60   HD11  LEU   8          1HD1      LEU   8  -1.355  10.986   0.975
   61   HD12  LEU   8          2HD1      LEU   8  -1.853   9.331   1.343
   62   HD13  LEU   8          3HD1      LEU   8  -0.160   9.785   1.480
   63   HD21  LEU   8          3HD2      LEU   8  -3.556  10.301   2.986
   64   HD22  LEU   8          1HD2      LEU   8  -2.974  11.916   2.579
   65   HD23  LEU   8          2HD2      LEU   8  -2.991  11.384   4.260
   66    H    GLU   9           H        GLU   9  -2.771   8.735   6.393
   67    HA   GLU   9           HA       GLU   9  -1.377   6.807   8.075
   68    HB2  GLU   9           2HB      GLU   9  -3.764   7.932   8.465
   69    HB3  GLU   9           1HB      GLU   9  -4.244   6.557   7.460
   70    HG2  GLU   9           2HG      GLU   9  -3.403   4.993   9.068
   71    HG3  GLU   9           1HG      GLU   9  -2.803   6.308  10.085
   72    H    SER  10           H        SER  10  -1.353   4.568   7.673
   73    HA   SER  10           HA       SER  10  -1.239   3.863   4.977
   74    HB2  SER  10           2HB      SER  10  -0.465   1.838   6.006
   75    HB3  SER  10           1HB      SER  10   0.247   3.380   6.641
   76    HG   SER  10           HG       SER  10  -1.965   2.432   7.991
   77    H    CYS  11           H        CYS  11  -2.418   2.047   4.052
   78    HA   CYS  11           HA       CYS  11  -4.413   0.691   5.486
   79    HB2  CYS  11           2HB      CYS  11  -5.714   2.878   4.891
   80    HB3  CYS  11           1HB      CYS  11  -5.430   2.433   3.204
   81    H    ALA  12           H        ALA  12  -5.695  -0.549   3.560
   82    HA   ALA  12           HA       ALA  12  -3.716  -1.283   1.549
   83    HB1  ALA  12           1HB      ALA  12  -4.362  -3.647   1.886
   84    HB2  ALA  12           2HB      ALA  12  -5.365  -3.149   3.254
   85    HB3  ALA  12           3HB      ALA  12  -3.614  -2.958   3.331
   86    H    CYS  13           H        CYS  13  -4.624  -1.330  -0.427
   87    HA   CYS  13           HA       CYS  13  -7.292  -0.535  -0.846
   88    HB2  CYS  13           2HB      CYS  13  -5.281  -1.824  -2.690
   89    HB3  CYS  13           1HB      CYS  13  -6.717  -0.931  -3.172
   90    H    ASN  14           H        ASN  14  -9.034  -1.532  -1.387
   91    HA   ASN  14           HA       ASN  14  -9.380  -3.958   0.020
   92    HB2  ASN  14           2HB      ASN  14 -11.321  -2.349  -1.624
   93    HB3  ASN  14           1HB      ASN  14 -11.768  -3.722  -0.621
   94   HD21  ASN  14          1HD2      ASN  14  -9.797  -2.871   1.492
   95   HD22  ASN  14          2HD2      ASN  14 -10.571  -1.538   2.271
   96    H    GLU  15           H        GLU  15  -8.950  -3.044  -3.239
   97    HA   GLU  15           HA       GLU  15 -10.015  -5.220  -4.470
   98    HB2  GLU  15           2HB      GLU  15  -7.505  -3.832  -5.321
   99    HB3  GLU  15           1HB      GLU  15  -8.638  -4.660  -6.384
  100    HG2  GLU  15           2HG      GLU  15  -9.019  -2.461  -6.808
  101    HG3  GLU  15           1HG      GLU  15 -10.263  -2.777  -5.582
  102    H    THR  16           H        THR  16  -9.214  -7.371  -4.366
  103    HA   THR  16           HA       THR  16  -7.399  -8.377  -2.681
  104    HB   THR  16           HB       THR  16  -7.977  -9.381  -5.454
  105    HG1  THR  16           1HG      THR  16  -9.151  -9.891  -2.913
  106   HG21  THR  16          3HG2      THR  16  -6.853 -10.922  -3.077
  107   HG22  THR  16          1HG2      THR  16  -5.926 -10.357  -4.480
  108   HG23  THR  16          2HG2      THR  16  -7.206 -11.566  -4.681
  109    H    ASP  17           H        ASP  17  -6.636  -7.348  -5.957
  110    HA   ASP  17           HA       ASP  17  -4.027  -8.340  -5.709
  111    HB2  ASP  17           2HB      ASP  17  -5.337  -8.171  -7.838
  112    HB3  ASP  17           1HB      ASP  17  -5.018  -6.427  -7.721
  113    H    ASN  18           H        ASN  18  -5.655  -5.172  -5.333
  114    HA   ASN  18           HA       ASN  18  -3.170  -3.818  -5.394
  115    HB2  ASN  18           2HB      ASN  18  -5.926  -2.697  -4.911
  116    HB3  ASN  18           1HB      ASN  18  -4.466  -1.741  -4.827
  117   HD21  ASN  18          1HD2      ASN  18  -6.629  -1.366  -6.588
  118   HD22  ASN  18          2HD2      ASN  18  -6.048  -1.525  -8.210
  119    H    SER  19           H        SER  19  -4.736  -5.550  -3.166
  120    HA   SER  19           HA       SER  19  -4.157  -4.168  -0.781
  121    HB2  SER  19           2HB      SER  19  -3.982  -7.135  -1.218
  122    HB3  SER  19           1HB      SER  19  -4.453  -6.299   0.268
  123    HG   SER  19           HG       SER  19  -6.141  -5.381  -1.262
  124    H    CYS  20           H        CYS  20  -2.155  -5.578  -3.137
  125    HA   CYS  20           HA       CYS  20   0.115  -5.777  -1.364
  126    HB2  CYS  20           2HB      CYS  20  -0.493  -6.828  -4.050
  127    HB3  CYS  20           1HB      CYS  20   1.196  -6.570  -3.595
  128    H    LYS  21           H        LYS  21  -1.142  -3.161  -2.508
  129    HA   LYS  21           HA       LYS  21   1.520  -1.990  -3.020
  130    HB2  LYS  21           2HB      LYS  21  -1.188  -1.186  -3.953
  131    HB3  LYS  21           1HB      LYS  21   0.245  -0.162  -4.114
  132    HG2  LYS  21           2HG      LYS  21   0.016  -1.000  -6.271
  133    HG3  LYS  21           1HG      LYS  21   1.072  -2.225  -5.562
  134    HD2  LYS  21           2HD      LYS  21  -0.891  -3.612  -5.076
  135    HD3  LYS  21           1HD      LYS  21  -1.909  -2.364  -5.802
  136    HE2  LYS  21           2HE      LYS  21  -0.714  -2.697  -7.947
  137    HE3  LYS  21           1HE      LYS  21   0.184  -4.022  -7.194
  138    HZ1  LYS  21           3HZ      LYS  21  -1.979  -5.089  -6.724
  139    HZ2  LYS  21           1HZ      LYS  21  -1.769  -4.943  -8.377
  140    HZ3  LYS  21           2HZ      LYS  21  -2.747  -3.870  -7.575
  141    H    VAL  22           H        VAL  22   1.904  -0.252  -2.402
  142    HA   VAL  22           HA       VAL  22   1.228  -0.052   0.318
  143    HB   VAL  22           HB       VAL  22   2.877   1.701  -1.492
  144   HG11  VAL  22          1HG1      VAL  22   2.491   1.680   1.467
  145   HG12  VAL  22          2HG1      VAL  22   1.980   2.906   0.302
  146   HG13  VAL  22          3HG1      VAL  22   3.720   2.660   0.615
  147   HG21  VAL  22          3HG2      VAL  22   3.675  -0.437   0.525
  148   HG22  VAL  22          1HG2      VAL  22   4.759   0.496  -0.522
  149   HG23  VAL  22          2HG2      VAL  22   3.573  -0.685  -1.187
  150    H    CYS  23           H        CYS  23  -0.615   0.533   0.606
  151    HA   CYS  23           HA       CYS  23  -1.731   2.840  -0.832
  152    HB2  CYS  23           2HB      CYS  23  -3.292   0.957   0.908
  153    HB3  CYS  23           1HB      CYS  23  -3.896   2.179  -0.214
  154    H    CYS  24           H        CYS  24  -2.764   4.509   0.213
  155    HA   CYS  24           HA       CYS  24  -2.015   4.950   2.995
  156    HB2  CYS  24           2HB      CYS  24  -2.539   6.888   0.731
  157    HB3  CYS  24           1HB      CYS  24  -2.016   7.314   2.352
  158    H    ARG  25           H        ARG  25  -3.744   6.680   3.838
  159    HA   ARG  25           HA       ARG  25  -6.347   5.908   2.789
  160    HB2  ARG  25           2HB      ARG  25  -5.470   4.934   5.027
  161    HB3  ARG  25           1HB      ARG  25  -5.718   6.557   5.630
  162    HG2  ARG  25           2HG      ARG  25  -7.909   5.157   4.246
  163    HG3  ARG  25           1HG      ARG  25  -7.582   4.738   5.939
  164    HD2  ARG  25           2HD      ARG  25  -8.534   7.310   4.663
  165    HD3  ARG  25           1HD      ARG  25  -9.323   6.374   5.929
  166    HE   ARG  25           HE       ARG  25  -7.690   8.543   6.265
  167   HH11  ARG  25          1HH1      ARG  25  -7.911   5.275   7.744
  168   HH12  ARG  25          2HH1      ARG  25  -7.018   5.705   9.126
  169   HH21  ARG  25          1HH2      ARG  25  -6.605   9.114   8.369
  170   HH22  ARG  25          2HH2      ARG  25  -6.333   7.862   9.493
  171    H    ASP  26           H        ASP  26  -7.628   7.646   2.386
  172    HA   ASP  26           HA       ASP  26  -6.227  10.183   2.498
  173    HB2  ASP  26           2HB      ASP  26  -7.369  10.749   0.559
  174    HB3  ASP  26           1HB      ASP  26  -7.186   9.008   0.354
  175    H    LEU  27           H        LEU  27  -8.149  11.746   2.215
  176    HA   LEU  27           HA       LEU  27  -8.882  12.210   4.846
  177    HB2  LEU  27           2HB      LEU  27  -9.799  13.886   2.549
  178    HB3  LEU  27           1HB      LEU  27  -9.548  14.405   4.206
  179    HG   LEU  27           HG       LEU  27  -7.057  13.605   3.545
  180   HD11  LEU  27          1HD1      LEU  27  -7.649  13.029   1.269
  181   HD12  LEU  27          2HD1      LEU  27  -6.490  14.356   1.313
  182   HD13  LEU  27          3HD1      LEU  27  -8.191  14.681   0.983
  183   HD21  LEU  27          3HD2      LEU  27  -6.531  15.985   3.183
  184   HD22  LEU  27          1HD2      LEU  27  -7.627  15.759   4.546
  185   HD23  LEU  27          2HD2      LEU  27  -8.250  16.328   2.997
  186    H    SER  28           H        SER  28 -10.585  11.073   2.017
  187    HA   SER  28           HA       SER  28 -13.124  11.611   3.112
  188    HB2  SER  28           2HB      SER  28 -12.838  11.686   0.676
  189    HB3  SER  28           1HB      SER  28 -12.304  10.007   0.667
  190    HG   SER  28           HG       SER  28 -14.593  10.152   1.941
  191    H    GLY  29           H        GLY  29 -10.709   9.343   3.490
  192    HA2  GLY  29           2HA      GLY  29 -10.631   7.737   4.854
  193    HA3  GLY  29           1HA      GLY  29 -12.399   7.672   5.047
  194    H    ARG  30           H        ARG  30 -10.548   7.514   2.029
  195    HA   ARG  30           HA       ARG  30 -11.431   4.763   1.576
  196    HB2  ARG  30           2HB      ARG  30 -10.639   7.038  -0.249
  197    HB3  ARG  30           1HB      ARG  30 -10.460   5.390  -0.791
  198    HG2  ARG  30           2HG      ARG  30 -12.469   6.379  -1.704
  199    HG3  ARG  30           1HG      ARG  30 -12.892   5.077  -0.610
  200    HD2  ARG  30           2HD      ARG  30 -12.910   7.965   0.243
  201    HD3  ARG  30           1HD      ARG  30 -14.294   7.217  -0.546
  202    HE   ARG  30           HE       ARG  30 -13.242   5.861   1.777
  203   HH11  ARG  30          1HH1      ARG  30 -15.575   8.229   0.637
  204   HH12  ARG  30          2HH1      ARG  30 -16.668   8.038   1.930
  205   HH21  ARG  30          1HH2      ARG  30 -14.642   5.589   3.577
  206   HH22  ARG  30          2HH2      ARG  30 -16.099   6.466   3.709
  207    H    CYS  31           H        CYS  31  -9.678   3.537   0.307
  208    HA   CYS  31           HA       CYS  31  -7.086   4.212   1.444
  209    HB2  CYS  31           2HB      CYS  31  -8.173   1.476   0.716
  210    HB3  CYS  31           1HB      CYS  31  -6.610   1.807   1.467
  211    H    VAL  32           H        VAL  32  -5.720   4.900  -0.016
  212    HA   VAL  32           HA       VAL  32  -6.250   4.243  -2.712
  213    HB   VAL  32           HB       VAL  32  -5.075   6.525  -3.196
  214   HG11  VAL  32          1HG1      VAL  32  -7.302   5.974  -3.752
  215   HG12  VAL  32          2HG1      VAL  32  -7.269   7.629  -3.105
  216   HG13  VAL  32          3HG1      VAL  32  -7.880   6.290  -2.112
  217   HG21  VAL  32          3HG2      VAL  32  -5.238   8.185  -1.503
  218   HG22  VAL  32          1HG2      VAL  32  -4.481   6.784  -0.752
  219   HG23  VAL  32          2HG2      VAL  32  -6.195   7.166  -0.445
  220    HA   PRO  33           HA       PRO  33  -2.052   2.756  -2.892
  221    HB2  PRO  33           2HB      PRO  33  -1.510   3.352  -5.530
  222    HB3  PRO  33           1HB      PRO  33  -2.468   1.942  -5.028
  223    HG2  PRO  33           2HG      PRO  33  -3.414   4.581  -6.024
  224    HG3  PRO  33           1HG      PRO  33  -4.026   2.954  -6.385
  225    HD2  PRO  33           2HD      PRO  33  -5.311   4.544  -4.624
  226    HD3  PRO  33           1HD      PRO  33  -5.183   2.790  -4.393
  227    H    TYR  34           H        TYR  34  -0.140   3.748  -2.222
  228    HA   TYR  34           HA       TYR  34   0.131   6.539  -2.283
  229    HB2  TYR  34           2HB      TYR  34   1.374   5.800  -0.582
  230    HB3  TYR  34           1HB      TYR  34   1.778   4.266  -1.349
  231    HD1  TYR  34           1HD      TYR  34   2.976   7.927  -0.907
  232    HD2  TYR  34           2HD      TYR  34   3.810   4.108  -2.751
  233    HE1  TYR  34           1HE      TYR  34   5.009   8.570  -1.251
  234    HE2  TYR  34           2HE      TYR  34   6.025   4.886  -3.132
  235    HH   TYR  34           HH       TYR  34   7.012   7.441  -3.410
  236    H    VAL  35           H        VAL  35   1.172   7.898  -3.543
  237    HA   VAL  35           HA       VAL  35   3.165   6.983  -5.222
  238    HB   VAL  35           HB       VAL  35   1.700   9.141  -6.320
  239   HG11  VAL  35          1HG1      VAL  35   2.523   6.577  -7.572
  240   HG12  VAL  35          2HG1      VAL  35   3.382   8.120  -7.473
  241   HG13  VAL  35          3HG1      VAL  35   1.919   7.997  -8.451
  242   HG21  VAL  35          3HG2      VAL  35  -0.315   8.107  -7.258
  243   HG22  VAL  35          1HG2      VAL  35  -0.281   8.029  -5.490
  244   HG23  VAL  35          2HG2      VAL  35   0.091   6.584  -6.442
  245    H    ASP  36           H        ASP  36   4.570   8.690  -5.094
  246    HA   ASP  36           HA       ASP  36   3.783  11.145  -3.583
  247    HB2  ASP  36           2HB      ASP  36   5.914  11.062  -2.743
  248    HB3  ASP  36           1HB      ASP  36   5.365   9.370  -2.750
  249    H    ALA  37           H        ALA  37   5.734  12.401  -4.066
  250    HA   ALA  37           HA       ALA  37   4.196  13.657  -5.843
  251    HB1  ALA  37           1HB      ALA  37   6.797  14.439  -4.710
  252    HB2  ALA  37           2HB      ALA  37   5.207  14.407  -3.957
  253    HB3  ALA  37           3HB      ALA  37   5.519  15.580  -5.294
  254    H    GLU  38           H        GLU  38   7.077  11.767  -6.050
  255    HA   GLU  38           HA       GLU  38   7.967  12.659  -8.487
  256    HB2  GLU  38           2HB      GLU  38   8.523  10.474  -6.656
  257    HB3  GLU  38           1HB      GLU  38   9.358  10.499  -8.217
  258    HG2  GLU  38           2HG      GLU  38  10.322  12.698  -7.557
  259    HG3  GLU  38           1HG      GLU  38   9.500  12.557  -5.997
  260    H    GLN  39           H        GLN  39   5.197  10.818  -7.563
  261    HA   GLN  39           HA       GLN  39   3.856   9.582  -8.440
  262    HB2  GLN  39           2HB      GLN  39   5.487  10.398 -10.643
  263    HB3  GLN  39           1HB      GLN  39   4.150   9.257 -11.034
  264    HG2  GLN  39           2HG      GLN  39   4.021  11.930  -9.668
  265    HG3  GLN  39           1HG      GLN  39   3.569  11.690 -11.372
  266   HE21  GLN  39          1HE2      GLN  39   2.273   9.106 -10.675
  267   HE22  GLN  39          2HE2      GLN  39   0.793   9.543  -9.882
  268    H    LYS  40           H        LYS  40   6.202   8.466  -7.153
  269    HA   LYS  40           HA       LYS  40   6.728   6.034  -8.594
  270    HB2  LYS  40           2HB      LYS  40   7.427   6.879  -5.849
  271    HB3  LYS  40           1HB      LYS  40   8.119   5.500  -6.756
  272    HG2  LYS  40           2HG      LYS  40   8.875   7.193  -8.374
  273    HG3  LYS  40           1HG      LYS  40   8.364   8.418  -7.178
  274    HD2  LYS  40           2HD      LYS  40  10.515   6.290  -6.766
  275    HD3  LYS  40           1HD      LYS  40  10.830   8.002  -7.004
  276    HE2  LYS  40           2HE      LYS  40   9.299   6.830  -4.667
  277    HE3  LYS  40           1HE      LYS  40  10.999   7.265  -4.631
  278    HZ1  LYS  40           3HZ      LYS  40   8.719   9.170  -5.018
  279    HZ2  LYS  40           1HZ      LYS  40  10.344   9.608  -5.028
  280    HZ3  LYS  40           2HZ      LYS  40   9.644   9.003  -3.659
  281    H    ASN  41           H        ASN  41   5.959   4.189  -7.965
  282    HA   ASN  41           HA       ASN  41   3.810   4.243  -5.988
  283    HB2  ASN  41           2HB      ASN  41   3.335   3.690  -8.440
  284    HB3  ASN  41           1HB      ASN  41   4.326   2.270  -8.136
  285   HD21  ASN  41          1HD2      ASN  41   1.984   3.554  -5.762
  286   HD22  ASN  41          2HD2      ASN  41   0.944   2.187  -5.862
  287    H    LEU  42           H        LEU  42   3.625   1.686  -5.306
  288    HA   LEU  42           HA       LEU  42   6.188   0.420  -4.846
  289    HB2  LEU  42           2HB      LEU  42   4.600   1.655  -2.645
  290    HB3  LEU  42           1HB      LEU  42   5.725   0.348  -2.393
  291    HG   LEU  42           HG       LEU  42   6.489   3.025  -3.488
  292   HD11  LEU  42          1HD1      LEU  42   6.178   1.945  -0.714
  293   HD12  LEU  42          2HD1      LEU  42   5.628   3.474  -1.444
  294   HD13  LEU  42          3HD1      LEU  42   7.341   3.252  -1.064
  295   HD21  LEU  42          3HD2      LEU  42   8.737   2.337  -2.784
  296   HD22  LEU  42          1HD2      LEU  42   8.073   1.195  -3.952
  297   HD23  LEU  42          2HD2      LEU  42   8.098   0.786  -2.236
  298    H    PHE  43           H        PHE  43   5.938  -1.734  -4.293
  299    HA   PHE  43           HA       PHE  43   3.316  -2.662  -4.002
  300    HB2  PHE  43           2HB      PHE  43   5.930  -3.829  -4.757
  301    HB3  PHE  43           1HB      PHE  43   4.519  -4.878  -4.493
  302    HD1  PHE  43           2HD      PHE  43   2.538  -4.534  -6.051
  303    HD2  PHE  43           1HD      PHE  43   6.340  -2.760  -6.767
  304    HE1  PHE  43           2HE      PHE  43   1.922  -4.164  -8.405
  305    HE2  PHE  43           1HE      PHE  43   5.728  -2.388  -9.119
  306    HZ   PHE  43           HZ       PHE  43   3.515  -3.092  -9.938
  307    H    LEU  44           H        LEU  44   2.943  -3.955  -2.062
  308    HA   LEU  44           HA       LEU  44   4.543  -3.363  -0.030
  309    HB2  LEU  44           2HB      LEU  44   2.214  -5.224  -0.265
  310    HB3  LEU  44           1HB      LEU  44   3.126  -5.201   1.227
  311    HG   LEU  44           HG       LEU  44   1.736  -2.791   0.030
  312   HD11  LEU  44          1HD1      LEU  44   0.145  -3.087   1.859
  313   HD12  LEU  44          2HD1      LEU  44   0.971  -4.569   2.344
  314   HD13  LEU  44          3HD1      LEU  44   0.148  -4.485   0.786
  315   HD21  LEU  44          3HD2      LEU  44   3.016  -3.212   2.732
  316   HD22  LEU  44          1HD2      LEU  44   2.191  -1.757   2.188
  317   HD23  LEU  44          2HD2      LEU  44   3.706  -2.251   1.431
  318    H    ARG  45           H        ARG  45   5.743  -5.270   1.337
  319    HA   ARG  45           HA       ARG  45   6.916  -6.932  -0.604
  320    HB2  ARG  45           2HB      ARG  45   7.555  -6.065   2.068
  321    HB3  ARG  45           1HB      ARG  45   8.576  -7.352   1.348
  322    HG2  ARG  45           2HG      ARG  45   8.754  -5.564  -0.596
  323    HG3  ARG  45           1HG      ARG  45   8.247  -4.434   0.659
  324    HD2  ARG  45           2HD      ARG  45  10.632  -4.409   0.571
  325    HD3  ARG  45           1HD      ARG  45  10.161  -5.257   2.046
  326    HE   ARG  45           HE       ARG  45  10.544  -7.005  -0.184
  327   HH11  ARG  45          1HH1      ARG  45  12.277  -5.332   2.410
  328   HH12  ARG  45          2HH1      ARG  45  13.610  -6.385   2.418
  329   HH21  ARG  45          1HH2      ARG  45  12.357  -8.459  -0.207
  330   HH22  ARG  45          2HH2      ARG  45  13.659  -8.243   0.866
  331    H    LYS  46           H        LYS  46   7.844  -9.044   0.506
  332    HA   LYS  46           HA       LYS  46   5.743 -10.865   0.346
  333    HB2  LYS  46           2HB      LYS  46   8.081 -11.331  -0.315
  334    HB3  LYS  46           1HB      LYS  46   8.538 -11.339   1.378
  335    HG2  LYS  46           2HG      LYS  46   8.349 -13.606   0.565
  336    HG3  LYS  46           1HG      LYS  46   7.058 -13.294   1.729
  337    HD2  LYS  46           2HD      LYS  46   5.472 -12.962  -0.053
  338    HD3  LYS  46           1HD      LYS  46   6.742 -13.111  -1.265
  339    HE2  LYS  46           2HE      LYS  46   7.097 -15.454  -0.515
  340    HE3  LYS  46           1HE      LYS  46   5.739 -15.265   0.596
  341    HZ1  LYS  46           3HZ      LYS  46   5.564 -14.922  -2.351
  342    HZ2  LYS  46           1HZ      LYS  46   4.302 -14.816  -1.255
  343    HZ3  LYS  46           2HZ      LYS  46   4.950 -16.287  -1.476
  344    H    GLY  47           H        GLY  47   4.467 -11.780   1.658
  345    HA2  GLY  47           2HA      GLY  47   3.741 -12.936   3.494
  346    HA3  GLY  47           1HA      GLY  47   5.266 -12.578   4.304
  347    H    LYS  48           H        LYS  48   3.396 -10.041   2.876
  348    HA   LYS  48           HA       LYS  48   2.710  -9.163   5.578
  349    HB2  LYS  48           2HB      LYS  48   2.800  -7.942   2.908
  350    HB3  LYS  48           1HB      LYS  48   2.172  -7.009   4.289
  351    HG2  LYS  48           2HG      LYS  48   5.009  -8.035   3.818
  352    HG3  LYS  48           1HG      LYS  48   4.487  -6.373   3.649
  353    HD2  LYS  48           2HD      LYS  48   5.634  -6.423   5.708
  354    HD3  LYS  48           1HD      LYS  48   3.941  -6.480   6.166
  355    HE2  LYS  48           2HE      LYS  48   5.379  -7.987   7.483
  356    HE3  LYS  48           1HE      LYS  48   4.135  -8.892   6.667
  357    HZ1  LYS  48           3HZ      LYS  48   5.893  -9.425   4.924
  358    HZ2  LYS  48           1HZ      LYS  48   6.164 -10.046   6.459
  359    HZ3  LYS  48           2HZ      LYS  48   7.020  -8.697   5.938
  360    HA   PRO  49           HA       PRO  49  -1.351 -10.704   4.987
  361    HB2  PRO  49           2HB      PRO  49  -2.680  -9.073   6.762
  362    HB3  PRO  49           1HB      PRO  49  -1.733 -10.492   7.252
  363    HG2  PRO  49           2HG      PRO  49  -0.963  -7.628   7.299
  364    HG3  PRO  49           1HG      PRO  49  -0.620  -8.912   8.476
  365    HD2  PRO  49           2HD      PRO  49   1.231  -8.065   6.729
  366    HD3  PRO  49           1HD      PRO  49   1.137  -9.756   7.259
  367    H    CYS  50           H        CYS  50  -2.509 -10.296   3.235
  368    HA   CYS  50           HA       CYS  50  -3.381  -7.604   2.779
  369    HB2  CYS  50           2HB      CYS  50  -3.426  -8.298   0.331
  370    HB3  CYS  50           1HB      CYS  50  -1.838  -8.140   1.080
  371    H    THR  51           H        THR  51  -5.215  -8.663   0.617
  372    HA   THR  51           HA       THR  51  -7.504  -8.868   2.185
  373    HB   THR  51           HB       THR  51  -8.380  -9.665  -0.170
  374    HG1  THR  51           1HG      THR  51  -6.298  -8.238  -1.205
  375   HG21  THR  51          3HG2      THR  51  -8.655  -7.418   0.966
  376   HG22  THR  51          1HG2      THR  51  -8.535  -7.396  -0.822
  377   HG23  THR  51          2HG2      THR  51  -7.115  -7.019   0.124
  378    H    VAL  52           H        VAL  52  -6.324 -11.125  -0.120
  379    HA   VAL  52           HA       VAL  52  -7.927 -13.185   1.066
  380    HB   VAL  52           HB       VAL  52  -7.404 -14.618  -0.803
  381   HG11  VAL  52          1HG1      VAL  52  -8.037 -11.785  -1.602
  382   HG12  VAL  52          2HG1      VAL  52  -9.191 -13.013  -1.075
  383   HG13  VAL  52          3HG1      VAL  52  -8.333 -13.198  -2.609
  384   HG21  VAL  52          3HG2      VAL  52  -5.984 -13.884  -2.665
  385   HG22  VAL  52          1HG2      VAL  52  -5.042 -13.998  -1.180
  386   HG23  VAL  52          2HG2      VAL  52  -5.566 -12.422  -1.790
  387    H    GLY  53           H        GLY  53  -4.555 -12.484   1.152
  388    HA2  GLY  53           2HA      GLY  53  -4.229 -14.320   3.244
  389    HA3  GLY  53           1HA      GLY  53  -3.534 -14.912   1.728
  390    H    PHE  54           H        PHE  54  -1.531 -14.418   1.359
  391    HA   PHE  54           HA       PHE  54  -0.348 -12.203   2.895
  392    HB2  PHE  54           2HB      PHE  54   1.000 -14.737   1.939
  393    HB3  PHE  54           1HB      PHE  54   1.850 -13.371   2.659
  394    HD1  PHE  54           1HD      PHE  54   1.397 -12.750   5.017
  395    HD2  PHE  54           2HD      PHE  54  -0.134 -16.322   3.282
  396    HE1  PHE  54           1HE      PHE  54   0.985 -13.658   7.264
  397    HE2  PHE  54           2HE      PHE  54  -0.551 -17.236   5.527
  398    HZ   PHE  54           HZ       PHE  54   0.009 -15.904   7.521
  399    H    CYS  55           H        CYS  55   1.275 -11.013   1.902
  400    HA   CYS  55           HA       CYS  55   0.672 -10.596  -0.916
  401    HB2  CYS  55           2HB      CYS  55   0.531  -8.780   0.790
  402    HB3  CYS  55           1HB      CYS  55   2.277  -8.983   0.989
  403    H    ASP  56           H        ASP  56   2.180 -10.919  -2.503
  404    HA   ASP  56           HA       ASP  56   4.851 -11.543  -1.544
  405    HB2  ASP  56           2HB      ASP  56   3.787 -13.310  -2.963
  406    HB3  ASP  56           1HB      ASP  56   3.652 -12.141  -4.275
  407    H    MET  57           H        MET  57   6.618 -10.749  -3.075
  408    HA   MET  57           HA       MET  57   6.401  -7.881  -3.154
  409    HB2  MET  57           2HB      MET  57   8.688  -9.677  -3.962
  410    HB3  MET  57           1HB      MET  57   8.777  -7.922  -3.917
  411    HG2  MET  57           2HG      MET  57   8.312  -7.970  -1.523
  412    HG3  MET  57           1HG      MET  57   8.239  -9.726  -1.572
  413    HE1  MET  57           3HE      MET  57  11.992 -10.595  -2.474
  414    HE2  MET  57           1HE      MET  57  10.706 -10.291  -3.642
  415    HE3  MET  57           2HE      MET  57  10.378 -11.246  -2.198
  416    H    ASN  58           H        ASN  58   5.822 -10.322  -5.436
  417    HA   ASN  58           HA       ASN  58   6.367  -8.625  -7.702
  418    HB2  ASN  58           2HB      ASN  58   5.661 -10.396  -9.120
  419    HB3  ASN  58           1HB      ASN  58   6.496 -11.150  -7.764
  420   HD21  ASN  58          1HD2      ASN  58   5.247 -12.351  -6.257
  421   HD22  ASN  58          2HD2      ASN  58   3.680 -12.928  -6.687
  422    H    GLY  59           H        GLY  59   4.063  -8.691  -5.464
  423    HA2  GLY  59           2HA      GLY  59   2.480  -6.949  -5.274
  424    HA3  GLY  59           1HA      GLY  59   2.487  -6.792  -7.018
  425    H    LYS  60           H        LYS  60   1.978  -9.764  -5.188
  426    HA   LYS  60           HA       LYS  60  -0.894  -9.719  -5.786
  427    HB2  LYS  60           2HB      LYS  60   1.000 -11.863  -6.644
  428    HB3  LYS  60           1HB      LYS  60  -0.673 -12.235  -6.282
  429    HG2  LYS  60           2HG      LYS  60  -0.680 -11.955  -8.611
  430    HG3  LYS  60           1HG      LYS  60  -1.264 -10.416  -7.982
  431    HD2  LYS  60           2HD      LYS  60   1.156  -9.634  -8.125
  432    HD3  LYS  60           1HD      LYS  60   1.454 -11.075  -9.094
  433    HE2  LYS  60           2HE      LYS  60   1.063  -9.246 -10.576
  434    HE3  LYS  60           1HE      LYS  60  -0.353 -10.300 -10.635
  435    HZ1  LYS  60           3HZ      LYS  60  -1.525  -8.820  -9.172
  436    HZ2  LYS  60           1HZ      LYS  60  -0.943  -7.892 -10.433
  437    HZ3  LYS  60           2HZ      LYS  60  -0.208  -7.906  -8.892
  438    H    CYS  61           H        CYS  61  -2.120 -11.136  -4.726
  439    HA   CYS  61           HA       CYS  61  -1.142 -11.465  -2.002
  440    HB2  CYS  61           2HB      CYS  61  -2.938  -9.850  -2.684
  441    HB3  CYS  61           1HB      CYS  61  -3.884 -11.265  -3.118
  442    H    GLU  62           H        GLU  62  -1.086 -13.423  -1.344
  443    HA   GLU  62           HA       GLU  62  -1.969 -15.578  -3.036
  444    HB2  GLU  62           2HB      GLU  62  -0.011 -16.849  -2.214
  445    HB3  GLU  62           1HB      GLU  62   0.456 -15.278  -2.854
  446    HG2  GLU  62           2HG      GLU  62   0.427 -14.483  -0.410
  447    HG3  GLU  62           1HG      GLU  62   0.431 -16.189   0.002
  Start of MODEL   16
    1    H    PHE   1           1HT      PHE   1   4.578   2.840   6.128
    2    HA   PHE   1           HA       PHE   1   6.024   3.062   3.567
    3    HB2  PHE   1           2HB      PHE   1   4.034   1.809   2.553
    4    HB3  PHE   1           1HB      PHE   1   5.246   0.862   3.409
    5    HD1  PHE   1           1HD      PHE   1   4.656  -0.132   5.596
    6    HD2  PHE   1           2HD      PHE   1   1.798   1.954   3.244
    7    HE1  PHE   1           1HE      PHE   1   2.841  -1.184   6.876
    8    HE2  PHE   1           2HE      PHE   1  -0.014   0.915   4.506
    9    HZ   PHE   1           HZ       PHE   1   0.497  -0.661   6.334
   10    H    CYS   2           H        CYS   2   2.983   3.885   5.169
   11    HA   CYS   2           HA       CYS   2   2.882   6.133   3.343
   12    HB2  CYS   2           2HB      CYS   2   0.802   5.005   5.223
   13    HB3  CYS   2           1HB      CYS   2   0.557   6.398   4.183
   14    H    GLU   3           H        GLU   3   3.087   5.039   6.573
   15    HA   GLU   3           HA       GLU   3   2.360   7.146   8.173
   16    HB2  GLU   3           2HB      GLU   3   4.613   5.322   8.973
   17    HB3  GLU   3           1HB      GLU   3   3.360   6.017   9.975
   18    HG2  GLU   3           2HG      GLU   3   2.891   3.703   9.853
   19    HG3  GLU   3           1HG      GLU   3   1.733   4.468   8.765
   20    H    ARG   4           H        ARG   4   5.781   6.301   7.692
   21    HA   ARG   4           HA       ARG   4   6.484   8.783   8.800
   22    HB2  ARG   4           2HB      ARG   4   7.772   6.742   9.277
   23    HB3  ARG   4           1HB      ARG   4   8.197   6.597   7.590
   24    HG2  ARG   4           2HG      ARG   4   9.060   9.091   8.974
   25    HG3  ARG   4           1HG      ARG   4   9.843   7.603   9.474
   26    HD2  ARG   4           2HD      ARG   4  11.240   8.563   7.793
   27    HD3  ARG   4           1HD      ARG   4  10.414   7.222   7.020
   28    HE   ARG   4           HE       ARG   4   9.078   9.722   6.659
   29   HH11  ARG   4          1HH1      ARG   4  11.655   7.691   5.341
   30   HH12  ARG   4          2HH1      ARG   4  11.598   8.366   3.778
   31   HH21  ARG   4          1HH2      ARG   4   8.968  10.661   4.534
   32   HH22  ARG   4          2HH2      ARG   4   9.990  10.137   3.299
   33    H    GLU   5           H        GLU   5   6.457   7.180   5.749
   34    HA   GLU   5           HA       GLU   5   7.983   8.855   4.287
   35    HB2  GLU   5           2HB      GLU   5   5.821   6.963   3.430
   36    HB3  GLU   5           1HB      GLU   5   7.050   7.662   2.378
   37    HG2  GLU   5           2HG      GLU   5   8.098   5.648   2.878
   38    HG3  GLU   5           1HG      GLU   5   8.651   6.712   4.178
   39    H    GLN   6           H        GLN   6   4.367   8.927   4.519
   40    HA   GLN   6           HA       GLN   6   4.553  11.438   2.961
   41    HB2  GLN   6           2HB      GLN   6   2.268   9.479   2.964
   42    HB3  GLN   6           1HB      GLN   6   2.435  10.907   1.966
   43    HG2  GLN   6           2HG      GLN   6   4.070   8.401   1.805
   44    HG3  GLN   6           1HG      GLN   6   2.746   8.890   0.728
   45   HE21  GLN   6          1HE2      GLN   6   3.151  10.556  -0.790
   46   HE22  GLN   6          2HE2      GLN   6   4.774  11.037  -1.166
   47    H    GLN   7           H        GLN   7   3.947  10.025   5.879
   48    HA   GLN   7           HA       GLN   7   2.956  10.368   7.598
   49    HB2  GLN   7           2HB      GLN   7   2.443  13.153   6.553
   50    HB3  GLN   7           1HB      GLN   7   2.157  12.682   8.229
   51    HG2  GLN   7           2HG      GLN   7   4.474  12.068   8.481
   52    HG3  GLN   7           1HG      GLN   7   4.772  12.459   6.794
   53   HE21  GLN   7          1HE2      GLN   7   4.135  13.721   9.956
   54   HE22  GLN   7          2HE2      GLN   7   4.571  15.368   9.606
   55    H    LEU   8           H        LEU   8   1.603   9.360   5.394
   56    HA   LEU   8           HA       LEU   8  -1.264   9.898   5.751
   57    HB2  LEU   8           2HB      LEU   8   0.353   8.347   3.764
   58    HB3  LEU   8           1HB      LEU   8  -1.394   8.203   3.915
   59    HG   LEU   8           HG       LEU   8  -0.049  10.792   3.488
   60   HD11  LEU   8          1HD1      LEU   8   0.604   9.315   1.564
   61   HD12  LEU   8          2HD1      LEU   8  -0.587  10.496   1.023
   62   HD13  LEU   8          3HD1      LEU   8  -1.087   8.845   1.374
   63   HD21  LEU   8          3HD2      LEU   8  -2.259  11.411   2.526
   64   HD22  LEU   8          1HD2      LEU   8  -2.318  10.942   4.226
   65   HD23  LEU   8          2HD2      LEU   8  -2.843   9.810   2.985
   66    H    GLU   9           H        GLU   9  -2.517   8.381   6.076
   67    HA   GLU   9           HA       GLU   9  -1.618   6.386   8.014
   68    HB2  GLU   9           2HB      GLU   9  -3.794   7.756   8.201
   69    HB3  GLU   9           1HB      GLU   9  -4.334   6.724   6.875
   70    HG2  GLU   9           2HG      GLU   9  -4.075   4.758   8.290
   71    HG3  GLU   9           1HG      GLU   9  -3.626   5.808   9.641
   72    H    SER  10           H        SER  10  -2.028   4.115   7.606
   73    HA   SER  10           HA       SER  10  -1.596   3.342   4.930
   74    HB2  SER  10           2HB      SER  10  -1.297   1.260   6.050
   75    HB3  SER  10           1HB      SER  10  -0.476   2.681   6.829
   76    HG   SER  10           HG       SER  10  -2.995   2.126   7.780
   77    H    CYS  11           H        CYS  11  -2.968   1.750   3.892
   78    HA   CYS  11           HA       CYS  11  -5.416   0.965   5.129
   79    HB2  CYS  11           2HB      CYS  11  -6.982   1.939   3.548
   80    HB3  CYS  11           1HB      CYS  11  -5.979   3.271   4.089
   81    H    ALA  12           H        ALA  12  -6.597  -0.550   3.544
   82    HA   ALA  12           HA       ALA  12  -4.638  -1.772   1.758
   83    HB1  ALA  12           1HB      ALA  12  -5.689  -3.938   2.287
   84    HB2  ALA  12           2HB      ALA  12  -6.750  -3.135   3.446
   85    HB3  ALA  12           3HB      ALA  12  -5.011  -3.186   3.731
   86    H    CYS  13           H        CYS  13  -5.312  -1.867  -0.304
   87    HA   CYS  13           HA       CYS  13  -7.809  -0.789  -1.077
   88    HB2  CYS  13           2HB      CYS  13  -5.721  -2.345  -2.635
   89    HB3  CYS  13           1HB      CYS  13  -7.058  -1.480  -3.319
   90    H    ASN  14           H        ASN  14  -9.635  -1.622  -1.504
   91    HA   ASN  14           HA       ASN  14 -10.502  -4.012  -0.380
   92    HB2  ASN  14           2HB      ASN  14 -11.858  -1.964  -1.081
   93    HB3  ASN  14           1HB      ASN  14 -11.824  -2.609  -2.707
   94   HD21  ASN  14          1HD2      ASN  14 -12.254  -5.452  -1.721
   95   HD22  ASN  14          2HD2      ASN  14 -13.915  -5.463  -1.241
   96    H    GLU  15           H        GLU  15  -9.123  -3.427  -3.511
   97    HA   GLU  15           HA       GLU  15 -10.066  -5.814  -4.531
   98    HB2  GLU  15           2HB      GLU  15  -9.584  -3.719  -5.927
   99    HB3  GLU  15           1HB      GLU  15  -7.886  -4.088  -5.690
  100    HG2  GLU  15           2HG      GLU  15  -9.785  -5.917  -7.125
  101    HG3  GLU  15           1HG      GLU  15  -8.753  -4.727  -7.914
  102    H    THR  16           H        THR  16  -8.681  -7.673  -4.932
  103    HA   THR  16           HA       THR  16  -7.209  -8.612  -2.832
  104    HB   THR  16           HB       THR  16  -7.183  -9.442  -5.718
  105    HG1  THR  16           1HG      THR  16  -9.086 -10.004  -5.340
  106   HG21  THR  16          3HG2      THR  16  -6.442 -11.044  -3.252
  107   HG22  THR  16          1HG2      THR  16  -5.316 -10.396  -4.448
  108   HG23  THR  16          2HG2      THR  16  -6.478 -11.649  -4.909
  109    H    ASP  17           H        ASP  17  -5.784  -7.829  -5.989
  110    HA   ASP  17           HA       ASP  17  -3.289  -8.233  -4.699
  111    HB2  ASP  17           2HB      ASP  17  -4.088  -7.657  -7.437
  112    HB3  ASP  17           1HB      ASP  17  -2.380  -7.557  -7.000
  113    H    ASN  18           H        ASN  18  -5.311  -5.626  -5.548
  114    HA   ASN  18           HA       ASN  18  -3.377  -3.621  -5.526
  115    HB2  ASN  18           2HB      ASN  18  -6.295  -3.622  -5.032
  116    HB3  ASN  18           1HB      ASN  18  -5.365  -2.202  -4.656
  117   HD21  ASN  18          1HD2      ASN  18  -6.200  -4.361  -7.360
  118   HD22  ASN  18          2HD2      ASN  18  -5.922  -3.179  -8.581
  119    H    SER  19           H        SER  19  -4.525  -5.546  -3.094
  120    HA   SER  19           HA       SER  19  -3.927  -3.760  -0.914
  121    HB2  SER  19           2HB      SER  19  -4.224  -6.778  -1.012
  122    HB3  SER  19           1HB      SER  19  -3.794  -5.963   0.476
  123    HG   SER  19           HG       SER  19  -6.088  -5.211  -1.041
  124    H    CYS  20           H        CYS  20  -1.993  -5.576  -3.086
  125    HA   CYS  20           HA       CYS  20   0.177  -5.714  -1.218
  126    HB2  CYS  20           2HB      CYS  20  -0.218  -6.881  -3.911
  127    HB3  CYS  20           1HB      CYS  20   1.283  -7.076  -3.012
  128    H    LYS  21           H        LYS  21  -0.759  -3.370  -3.270
  129    HA   LYS  21           HA       LYS  21   1.915  -2.224  -2.868
  130    HB2  LYS  21           2HB      LYS  21   1.997  -1.500  -5.108
  131    HB3  LYS  21           1HB      LYS  21   0.790  -2.807  -5.212
  132    HG2  LYS  21           2HG      LYS  21  -0.218  -0.116  -4.586
  133    HG3  LYS  21           1HG      LYS  21   0.267  -0.452  -6.245
  134    HD2  LYS  21           2HD      LYS  21  -1.334  -2.126  -6.490
  135    HD3  LYS  21           1HD      LYS  21  -1.530  -2.312  -4.743
  136    HE2  LYS  21           2HE      LYS  21  -2.271   0.170  -6.263
  137    HE3  LYS  21           1HE      LYS  21  -3.406  -1.123  -5.865
  138    HZ1  LYS  21           3HZ      LYS  21  -2.891  -0.801  -3.529
  139    HZ2  LYS  21           1HZ      LYS  21  -3.511   0.612  -4.182
  140    HZ3  LYS  21           2HZ      LYS  21  -1.850   0.449  -3.863
  141    H    VAL  22           H        VAL  22   2.165  -0.482  -2.300
  142    HA   VAL  22           HA       VAL  22   0.829  -0.126   0.017
  143    HB   VAL  22           HB       VAL  22   2.589   1.831  -1.449
  144   HG11  VAL  22          1HG1      VAL  22   1.304   2.953   0.225
  145   HG12  VAL  22          2HG1      VAL  22   2.987   2.782   0.767
  146   HG13  VAL  22          3HG1      VAL  22   1.717   1.715   1.407
  147   HG21  VAL  22          3HG2      VAL  22   3.237  -0.199   0.721
  148   HG22  VAL  22          1HG2      VAL  22   4.373   0.824  -0.153
  149   HG23  VAL  22          2HG2      VAL  22   3.493  -0.514  -0.962
  150    H    CYS  23           H        CYS  23  -1.021   0.313   0.236
  151    HA   CYS  23           HA       CYS  23  -2.241   2.624  -1.128
  152    HB2  CYS  23           2HB      CYS  23  -3.788   0.867   0.762
  153    HB3  CYS  23           1HB      CYS  23  -4.302   1.945  -0.547
  154    H    CYS  24           H        CYS  24  -3.180   4.325   0.083
  155    HA   CYS  24           HA       CYS  24  -2.326   4.551   2.853
  156    HB2  CYS  24           2HB      CYS  24  -1.892   6.631   0.690
  157    HB3  CYS  24           1HB      CYS  24  -1.622   6.883   2.405
  158    H    ARG  25           H        ARG  25  -3.608   6.378   3.906
  159    HA   ARG  25           HA       ARG  25  -6.255   6.190   2.713
  160    HB2  ARG  25           2HB      ARG  25  -5.583   5.021   4.986
  161    HB3  ARG  25           1HB      ARG  25  -5.702   6.657   5.597
  162    HG2  ARG  25           2HG      ARG  25  -7.984   5.651   4.058
  163    HG3  ARG  25           1HG      ARG  25  -7.740   4.986   5.672
  164    HD2  ARG  25           2HD      ARG  25  -7.952   7.927   4.974
  165    HD3  ARG  25           1HD      ARG  25  -9.257   6.935   5.632
  166    HE   ARG  25           HE       ARG  25  -7.280   6.594   7.430
  167   HH11  ARG  25          1HH1      ARG  25  -8.617   9.555   6.058
  168   HH12  ARG  25          2HH1      ARG  25  -8.533  10.463   7.503
  169   HH21  ARG  25          1HH2      ARG  25  -7.041   7.777   9.347
  170   HH22  ARG  25          2HH2      ARG  25  -7.557   9.387   9.502
  171    H    ASP  26           H        ASP  26  -7.268   8.005   2.288
  172    HA   ASP  26           HA       ASP  26  -5.750  10.389   2.456
  173    HB2  ASP  26           2HB      ASP  26  -6.709  10.861   0.479
  174    HB3  ASP  26           1HB      ASP  26  -7.365   9.236   0.493
  175    H    LEU  27           H        LEU  27  -7.001  12.194   2.742
  176    HA   LEU  27           HA       LEU  27  -7.669  12.535   5.368
  177    HB2  LEU  27           2HB      LEU  27  -8.464  14.533   3.282
  178    HB3  LEU  27           1HB      LEU  27  -8.055  14.846   4.955
  179    HG   LEU  27           HG       LEU  27  -5.731  13.806   4.106
  180   HD11  LEU  27          1HD1      LEU  27  -6.814  15.201   1.676
  181   HD12  LEU  27          2HD1      LEU  27  -6.547  13.479   1.818
  182   HD13  LEU  27          3HD1      LEU  27  -5.170  14.590   1.883
  183   HD21  LEU  27          3HD2      LEU  27  -4.928  16.121   3.861
  184   HD22  LEU  27          1HD2      LEU  27  -5.993  15.941   5.255
  185   HD23  LEU  27          2HD2      LEU  27  -6.598  16.680   3.773
  186    H    SER  28           H        SER  28  -9.779  12.042   2.587
  187    HA   SER  28           HA       SER  28 -12.095  12.853   3.986
  188    HB2  SER  28           2HB      SER  28 -11.669  11.633   1.285
  189    HB3  SER  28           1HB      SER  28 -13.216  12.304   1.846
  190    HG   SER  28           HG       SER  28 -11.100  13.972   2.169
  191    H    GLY  29           H        GLY  29 -10.146  10.248   4.020
  192    HA2  GLY  29           2HA      GLY  29 -10.372   8.570   5.255
  193    HA3  GLY  29           1HA      GLY  29 -12.149   8.652   5.267
  194    H    ARG  30           H        ARG  30 -10.575   8.765   2.197
  195    HA   ARG  30           HA       ARG  30 -11.645   6.157   1.543
  196    HB2  ARG  30           2HB      ARG  30 -10.325   8.288  -0.130
  197    HB3  ARG  30           1HB      ARG  30 -11.117   6.842  -0.743
  198    HG2  ARG  30           2HG      ARG  30 -13.235   7.606  -0.161
  199    HG3  ARG  30           1HG      ARG  30 -12.590   8.810   0.958
  200    HD2  ARG  30           2HD      ARG  30 -12.219   8.852  -2.023
  201    HD3  ARG  30           1HD      ARG  30 -13.433   9.789  -1.133
  202    HE   ARG  30           HE       ARG  30 -10.844  10.244  -0.086
  203   HH11  ARG  30          1HH1      ARG  30 -12.809  11.092  -2.898
  204   HH12  ARG  30          2HH1      ARG  30 -12.071  12.613  -3.144
  205   HH21  ARG  30          1HH2      ARG  30  -9.850  12.296  -0.384
  206   HH22  ARG  30          2HH2      ARG  30 -10.309  13.339  -1.641
  207    H    CYS  31           H        CYS  31 -10.322   4.604   0.481
  208    HA   CYS  31           HA       CYS  31  -7.537   4.663   1.332
  209    HB2  CYS  31           2HB      CYS  31  -8.885   2.662   1.911
  210    HB3  CYS  31           1HB      CYS  31  -9.237   2.417   0.205
  211    H    VAL  32           H        VAL  32  -5.911   4.861  -0.223
  212    HA   VAL  32           HA       VAL  32  -6.786   4.802  -2.895
  213    HB   VAL  32           HB       VAL  32  -5.862   6.902  -3.499
  214   HG11  VAL  32          1HG1      VAL  32  -7.985   7.228  -2.462
  215   HG12  VAL  32          2HG1      VAL  32  -6.933   8.615  -2.192
  216   HG13  VAL  32          3HG1      VAL  32  -7.220   7.475  -0.886
  217   HG21  VAL  32          3HG2      VAL  32  -4.544   8.365  -1.918
  218   HG22  VAL  32          1HG2      VAL  32  -3.803   6.853  -2.461
  219   HG23  VAL  32          2HG2      VAL  32  -4.473   6.956  -0.830
  220    HA   PRO  33           HA       PRO  33  -2.658   2.985  -3.072
  221    HB2  PRO  33           2HB      PRO  33  -1.957   3.508  -5.685
  222    HB3  PRO  33           1HB      PRO  33  -3.098   2.237  -5.214
  223    HG2  PRO  33           2HG      PRO  33  -3.651   4.653  -6.657
  224    HG3  PRO  33           1HG      PRO  33  -4.749   3.323  -6.257
  225    HD2  PRO  33           2HD      PRO  33  -4.441   5.929  -4.892
  226    HD3  PRO  33           1HD      PRO  33  -5.780   4.757  -4.815
  227    H    TYR  34           H        TYR  34  -0.532   3.703  -2.457
  228    HA   TYR  34           HA       TYR  34  -0.154   6.472  -2.820
  229    HB2  TYR  34           2HB      TYR  34   0.800   6.079  -0.908
  230    HB3  TYR  34           1HB      TYR  34   1.345   4.431  -1.298
  231    HD1  TYR  34           1HD      TYR  34   2.164   8.065  -2.424
  232    HD2  TYR  34           2HD      TYR  34   3.651   4.201  -1.275
  233    HE1  TYR  34           1HE      TYR  34   4.324   8.804  -2.761
  234    HE2  TYR  34           2HE      TYR  34   5.943   5.066  -1.632
  235    HH   TYR  34           HH       TYR  34   6.518   8.423  -2.437
  236    H    VAL  35           H        VAL  35   0.456   7.477  -4.324
  237    HA   VAL  35           HA       VAL  35   2.837   6.836  -5.707
  238    HB   VAL  35           HB       VAL  35   1.046   8.406  -7.206
  239   HG11  VAL  35          1HG1      VAL  35   2.485   5.965  -8.040
  240   HG12  VAL  35          2HG1      VAL  35   3.079   7.607  -7.896
  241   HG13  VAL  35          3HG1      VAL  35   1.825   7.244  -9.093
  242   HG21  VAL  35          3HG2      VAL  35  -0.559   6.772  -8.109
  243   HG22  VAL  35          1HG2      VAL  35  -0.736   6.950  -6.359
  244   HG23  VAL  35          2HG2      VAL  35   0.091   5.534  -7.020
  245    H    ASP  36           H        ASP  36   3.859   8.704  -5.448
  246    HA   ASP  36           HA       ASP  36   2.298  11.145  -4.784
  247    HB2  ASP  36           2HB      ASP  36   4.394  12.032  -3.998
  248    HB3  ASP  36           1HB      ASP  36   3.976  10.501  -3.213
  249    H    ALA  37           H        ALA  37   3.939  12.895  -5.477
  250    HA   ALA  37           HA       ALA  37   2.211  13.014  -7.580
  251    HB1  ALA  37           1HB      ALA  37   2.640  15.409  -7.492
  252    HB2  ALA  37           2HB      ALA  37   4.072  15.021  -6.479
  253    HB3  ALA  37           3HB      ALA  37   2.450  14.550  -5.925
  254    H    GLU  38           H        GLU  38   5.519  12.484  -7.040
  255    HA   GLU  38           HA       GLU  38   6.452  13.000  -9.540
  256    HB2  GLU  38           2HB      GLU  38   7.383  11.583  -7.182
  257    HB3  GLU  38           1HB      GLU  38   8.503  11.959  -8.526
  258    HG2  GLU  38           2HG      GLU  38   8.952  13.852  -7.290
  259    HG3  GLU  38           1HG      GLU  38   7.329  14.358  -7.791
  260    H    GLN  39           H        GLN  39   4.320  10.594  -8.339
  261    HA   GLN  39           HA       GLN  39   3.550   8.892  -9.001
  262    HB2  GLN  39           2HB      GLN  39   5.328   9.568 -11.122
  263    HB3  GLN  39           1HB      GLN  39   4.398   8.038 -11.324
  264    HG2  GLN  39           2HG      GLN  39   2.353   9.420 -11.025
  265    HG3  GLN  39           1HG      GLN  39   3.376  10.844 -10.849
  266   HE21  GLN  39          1HE2      GLN  39   4.345  11.697 -12.658
  267   HE22  GLN  39          2HE2      GLN  39   3.874  11.259 -14.272
  268    H    LYS  40           H        LYS  40   5.845   8.788  -7.141
  269    HA   LYS  40           HA       LYS  40   7.267   6.403  -7.804
  270    HB2  LYS  40           2HB      LYS  40   6.758   7.724  -5.204
  271    HB3  LYS  40           1HB      LYS  40   7.923   6.400  -5.502
  272    HG2  LYS  40           2HG      LYS  40   9.087   7.922  -6.998
  273    HG3  LYS  40           1HG      LYS  40   7.961   9.216  -6.525
  274    HD2  LYS  40           2HD      LYS  40   8.750   8.377  -4.088
  275    HD3  LYS  40           1HD      LYS  40  10.215   8.005  -4.998
  276    HE2  LYS  40           2HE      LYS  40  10.403  10.221  -4.076
  277    HE3  LYS  40           1HE      LYS  40  10.222  10.345  -5.829
  278    HZ1  LYS  40           3HZ      LYS  40   7.832  10.778  -5.472
  279    HZ2  LYS  40           1HZ      LYS  40   8.704  11.960  -4.676
  280    HZ3  LYS  40           2HZ      LYS  40   7.980  10.644  -3.894
  281    H    ASN  41           H        ASN  41   6.777   4.473  -7.177
  282    HA   ASN  41           HA       ASN  41   4.167   4.097  -5.943
  283    HB2  ASN  41           2HB      ASN  41   5.449   2.950  -8.290
  284    HB3  ASN  41           1HB      ASN  41   4.318   1.884  -7.436
  285   HD21  ASN  41          1HD2      ASN  41   4.705   4.652  -9.540
  286   HD22  ASN  41          2HD2      ASN  41   3.025   4.874  -9.838
  287    H    LEU  42           H        LEU  42   4.063   2.147  -4.620
  288    HA   LEU  42           HA       LEU  42   6.604   0.704  -4.205
  289    HB2  LEU  42           2HB      LEU  42   4.698   1.580  -2.090
  290    HB3  LEU  42           1HB      LEU  42   6.055   0.521  -1.847
  291    HG   LEU  42           HG       LEU  42   6.178   3.419  -2.576
  292   HD11  LEU  42          1HD1      LEU  42   6.734   1.952   0.021
  293   HD12  LEU  42          2HD1      LEU  42   5.235   2.756  -0.354
  294   HD13  LEU  42          3HD1      LEU  42   6.732   3.715  -0.200
  295   HD21  LEU  42          3HD2      LEU  42   8.570   3.197  -2.017
  296   HD22  LEU  42          1HD2      LEU  42   8.135   2.153  -3.371
  297   HD23  LEU  42          2HD2      LEU  42   8.348   1.467  -1.759
  298    H    PHE  43           H        PHE  43   6.104  -1.452  -4.716
  299    HA   PHE  43           HA       PHE  43   3.661  -2.468  -4.023
  300    HB2  PHE  43           2HB      PHE  43   4.626  -4.544  -4.931
  301    HB3  PHE  43           1HB      PHE  43   5.119  -3.089  -5.824
  302    HD1  PHE  43           2HD      PHE  43   7.352  -2.317  -5.937
  303    HD2  PHE  43           1HD      PHE  43   6.356  -5.781  -3.682
  304    HE1  PHE  43           2HE      PHE  43   9.733  -2.913  -5.813
  305    HE2  PHE  43           1HE      PHE  43   8.721  -6.385  -3.558
  306    HZ   PHE  43           HZ       PHE  43  10.424  -4.952  -4.620
  307    H    LEU  44           H        LEU  44   3.362  -3.950  -2.120
  308    HA   LEU  44           HA       LEU  44   4.475  -3.102   0.123
  309    HB2  LEU  44           2HB      LEU  44   2.563  -5.109  -0.619
  310    HB3  LEU  44           1HB      LEU  44   3.513  -5.668   0.737
  311    HG   LEU  44           HG       LEU  44   2.880  -3.576   1.956
  312   HD11  LEU  44          1HD1      LEU  44   0.982  -3.206  -0.334
  313   HD12  LEU  44          2HD1      LEU  44   2.350  -2.172   0.071
  314   HD13  LEU  44          3HD1      LEU  44   0.981  -2.297   1.177
  315   HD21  LEU  44          3HD2      LEU  44   0.608  -4.310   2.475
  316   HD22  LEU  44          1HD2      LEU  44   1.735  -5.663   2.384
  317   HD23  LEU  44          2HD2      LEU  44   0.623  -5.350   1.051
  318    H    ARG  45           H        ARG  45   5.234  -5.107   1.774
  319    HA   ARG  45           HA       ARG  45   7.562  -6.285   0.606
  320    HB2  ARG  45           2HB      ARG  45   6.535  -5.796   3.282
  321    HB3  ARG  45           1HB      ARG  45   8.042  -6.738   3.073
  322    HG2  ARG  45           2HG      ARG  45   7.459  -3.796   2.554
  323    HG3  ARG  45           1HG      ARG  45   8.584  -4.461   3.727
  324    HD2  ARG  45           2HD      ARG  45   9.967  -3.660   2.016
  325    HD3  ARG  45           1HD      ARG  45   9.853  -5.382   1.672
  326    HE   ARG  45           HE       ARG  45   7.928  -4.513   0.105
  327   HH11  ARG  45          1HH1      ARG  45  11.156  -3.136   0.557
  328   HH12  ARG  45          2HH1      ARG  45  11.188  -2.334  -0.943
  329   HH21  ARG  45          1HH2      ARG  45   7.921  -3.387  -1.892
  330   HH22  ARG  45          2HH2      ARG  45   9.266  -2.493  -2.408
  331    H    LYS  46           H        LYS  46   7.972  -8.585   1.493
  332    HA   LYS  46           HA       LYS  46   5.656 -10.163   0.968
  333    HB2  LYS  46           2HB      LYS  46   7.094 -12.156   1.373
  334    HB3  LYS  46           1HB      LYS  46   7.736 -11.059   0.166
  335    HG2  LYS  46           2HG      LYS  46   9.392 -10.248   1.667
  336    HG3  LYS  46           1HG      LYS  46   8.627 -11.041   3.034
  337    HD2  LYS  46           2HD      LYS  46  10.679 -12.217   2.312
  338    HD3  LYS  46           1HD      LYS  46   9.255 -13.232   2.162
  339    HE2  LYS  46           2HE      LYS  46  10.201 -11.697  -0.230
  340    HE3  LYS  46           1HE      LYS  46  11.096 -13.124   0.267
  341    HZ1  LYS  46           3HZ      LYS  46   9.307 -13.529  -1.442
  342    HZ2  LYS  46           1HZ      LYS  46   8.147 -13.176  -0.337
  343    HZ3  LYS  46           2HZ      LYS  46   9.109 -14.478  -0.079
  344    H    GLY  47           H        GLY  47   4.369 -11.242   2.133
  345    HA2  GLY  47           2HA      GLY  47   3.551 -12.493   3.888
  346    HA3  GLY  47           1HA      GLY  47   5.039 -12.184   4.790
  347    H    LYS  48           H        LYS  48   3.075  -9.711   3.338
  348    HA   LYS  48           HA       LYS  48   2.371  -8.765   5.995
  349    HB2  LYS  48           2HB      LYS  48   2.450  -7.637   3.276
  350    HB3  LYS  48           1HB      LYS  48   1.851  -6.672   4.646
  351    HG2  LYS  48           2HG      LYS  48   4.678  -7.730   4.205
  352    HG3  LYS  48           1HG      LYS  48   4.165  -6.082   3.905
  353    HD2  LYS  48           2HD      LYS  48   5.318  -5.995   5.966
  354    HD3  LYS  48           1HD      LYS  48   3.622  -5.971   6.413
  355    HE2  LYS  48           2HE      LYS  48   4.985  -7.388   7.877
  356    HE3  LYS  48           1HE      LYS  48   3.756  -8.348   7.098
  357    HZ1  LYS  48           3HZ      LYS  48   6.678  -8.272   6.503
  358    HZ2  LYS  48           1HZ      LYS  48   5.577  -9.021   5.456
  359    HZ3  LYS  48           2HZ      LYS  48   5.721  -9.570   7.007
  360    HA   PRO  49           HA       PRO  49  -1.720 -10.412   5.539
  361    HB2  PRO  49           2HB      PRO  49  -2.507  -7.853   6.859
  362    HB3  PRO  49           1HB      PRO  49  -2.922  -9.521   7.312
  363    HG2  PRO  49           2HG      PRO  49  -1.139  -8.228   8.715
  364    HG3  PRO  49           1HG      PRO  49  -0.881  -9.932   8.286
  365    HD2  PRO  49           2HD      PRO  49   0.391  -7.500   7.124
  366    HD3  PRO  49           1HD      PRO  49   1.079  -9.102   7.472
  367    H    CYS  50           H        CYS  50  -3.149 -10.341   3.927
  368    HA   CYS  50           HA       CYS  50  -3.845  -7.864   2.748
  369    HB2  CYS  50           2HB      CYS  50  -2.112  -8.250   1.351
  370    HB3  CYS  50           1HB      CYS  50  -2.161 -10.016   1.502
  371    H    THR  51           H        THR  51  -5.372  -8.779   0.743
  372    HA   THR  51           HA       THR  51  -7.813  -9.343   1.868
  373    HB   THR  51           HB       THR  51  -8.412  -9.896  -0.563
  374    HG1  THR  51           1HG      THR  51  -5.981  -8.882  -1.418
  375   HG21  THR  51          3HG2      THR  51  -6.807  -7.412  -0.119
  376   HG22  THR  51          1HG2      THR  51  -8.466  -7.598   0.493
  377   HG23  THR  51          2HG2      THR  51  -8.151  -7.630  -1.250
  378    H    VAL  52           H        VAL  52  -6.175 -11.408  -0.346
  379    HA   VAL  52           HA       VAL  52  -7.736 -13.694   0.528
  380    HB   VAL  52           HB       VAL  52  -6.925 -14.852  -1.443
  381   HG11  VAL  52          1HG1      VAL  52  -8.871 -13.495  -1.700
  382   HG12  VAL  52          2HG1      VAL  52  -7.880 -13.276  -3.151
  383   HG13  VAL  52          3HG1      VAL  52  -7.897 -12.042  -1.886
  384   HG21  VAL  52          3HG2      VAL  52  -4.626 -13.946  -1.580
  385   HG22  VAL  52          1HG2      VAL  52  -5.257 -12.364  -2.011
  386   HG23  VAL  52          2HG2      VAL  52  -5.465 -13.710  -3.107
  387    H    GLY  53           H        GLY  53  -4.652 -12.500   1.218
  388    HA2  GLY  53           2HA      GLY  53  -4.033 -14.565   2.901
  389    HA3  GLY  53           1HA      GLY  53  -3.213 -14.812   1.344
  390    H    PHE  54           H        PHE  54  -1.325 -13.984   1.149
  391    HA   PHE  54           HA       PHE  54  -0.682 -11.600   2.717
  392    HB2  PHE  54           2HB      PHE  54   1.054 -14.024   2.262
  393    HB3  PHE  54           1HB      PHE  54   1.658 -12.514   2.933
  394    HD1  PHE  54           1HD      PHE  54   0.711 -11.710   5.120
  395    HD2  PHE  54           2HD      PHE  54  -0.017 -15.620   3.610
  396    HE1  PHE  54           1HE      PHE  54   0.064 -12.452   7.372
  397    HE2  PHE  54           2HE      PHE  54  -0.668 -16.371   5.860
  398    HZ   PHE  54           HZ       PHE  54  -0.629 -14.786   7.745
  399    H    CYS  55           H        CYS  55   1.009 -10.378   1.842
  400    HA   CYS  55           HA       CYS  55   1.006 -10.344  -1.079
  401    HB2  CYS  55           2HB      CYS  55   2.053  -8.527   1.007
  402    HB3  CYS  55           1HB      CYS  55   2.285  -8.231  -0.710
  403    H    ASP  56           H        ASP  56   2.728 -11.014  -2.228
  404    HA   ASP  56           HA       ASP  56   5.211 -11.172  -0.663
  405    HB2  ASP  56           2HB      ASP  56   4.351 -13.316  -1.904
  406    HB3  ASP  56           1HB      ASP  56   5.045 -12.550  -3.338
  407    H    MET  57           H        MET  57   7.141 -11.121  -2.655
  408    HA   MET  57           HA       MET  57   7.328  -8.248  -2.892
  409    HB2  MET  57           2HB      MET  57   9.244 -10.381  -3.840
  410    HB3  MET  57           1HB      MET  57   9.595  -8.667  -3.723
  411    HG2  MET  57           2HG      MET  57   8.914 -10.460  -1.409
  412    HG3  MET  57           1HG      MET  57  10.545 -10.006  -1.882
  413    HE1  MET  57           3HE      MET  57  11.587  -7.599  -1.489
  414    HE2  MET  57           1HE      MET  57  10.630  -6.188  -1.055
  415    HE3  MET  57           2HE      MET  57  10.375  -6.989  -2.608
  416    H    ASN  58           H        ASN  58   5.795 -10.353  -4.757
  417    HA   ASN  58           HA       ASN  58   6.550  -9.236  -7.351
  418    HB2  ASN  58           2HB      ASN  58   5.946 -11.680  -7.062
  419    HB3  ASN  58           1HB      ASN  58   4.306 -11.179  -6.686
  420   HD21  ASN  58          1HD2      ASN  58   2.973 -10.407  -8.399
  421   HD22  ASN  58          2HD2      ASN  58   3.437 -10.639 -10.050
  422    H    GLY  59           H        GLY  59   4.593  -8.451  -4.751
  423    HA2  GLY  59           2HA      GLY  59   2.976  -6.809  -4.456
  424    HA3  GLY  59           1HA      GLY  59   3.152  -6.390  -6.179
  425    H    LYS  60           H        LYS  60   2.537  -9.535  -4.943
  426    HA   LYS  60           HA       LYS  60  -0.323  -9.363  -5.613
  427    HB2  LYS  60           2HB      LYS  60   1.647 -11.431  -6.446
  428    HB3  LYS  60           1HB      LYS  60  -0.018 -11.857  -6.134
  429    HG2  LYS  60           2HG      LYS  60  -0.598 -10.020  -7.801
  430    HG3  LYS  60           1HG      LYS  60   1.094 -10.129  -8.318
  431    HD2  LYS  60           2HD      LYS  60   0.010 -11.645  -9.750
  432    HD3  LYS  60           1HD      LYS  60   0.630 -12.682  -8.472
  433    HE2  LYS  60           2HE      LYS  60  -2.235 -11.706  -8.804
  434    HE3  LYS  60           1HE      LYS  60  -1.654 -13.343  -9.039
  435    HZ1  LYS  60           3HZ      LYS  60  -1.130 -13.339  -6.561
  436    HZ2  LYS  60           1HZ      LYS  60  -2.767 -13.229  -6.931
  437    HZ3  LYS  60           2HZ      LYS  60  -1.992 -11.851  -6.499
  438    H    CYS  61           H        CYS  61  -1.601 -10.665  -4.647
  439    HA   CYS  61           HA       CYS  61  -0.727 -11.539  -2.026
  440    HB2  CYS  61           2HB      CYS  61  -2.668  -9.926  -2.864
  441    HB3  CYS  61           1HB      CYS  61  -3.379 -11.525  -3.151
  442    H    GLU  62           H        GLU  62  -0.334 -13.697  -2.190
  443    HA   GLU  62           HA       GLU  62   0.388 -15.374  -3.553
  444    HB2  GLU  62           2HB      GLU  62  -2.382 -15.644  -2.661
  445    HB3  GLU  62           1HB      GLU  62  -1.722 -16.995  -3.613
  446    HG2  GLU  62           2HG      GLU  62  -1.399 -17.530  -1.269
  447    HG3  GLU  62           1HG      GLU  62   0.147 -17.021  -1.958
  Start of MODEL   17
    1    H    PHE   1           1HT      PHE   1   6.877   5.331   3.069
    2    HA   PHE   1           HA       PHE   1   5.468   3.866   1.814
    3    HB2  PHE   1           2HB      PHE   1   4.035   3.407   4.451
    4    HB3  PHE   1           1HB      PHE   1   3.571   2.745   2.900
    5    HD1  PHE   1           1HD      PHE   1   4.855   0.891   1.942
    6    HD2  PHE   1           2HD      PHE   1   5.679   2.588   5.699
    7    HE1  PHE   1           1HE      PHE   1   6.195  -1.110   2.500
    8    HE2  PHE   1           2HE      PHE   1   7.060   0.578   6.328
    9    HZ   PHE   1           HZ       PHE   1   7.302  -1.265   4.700
   10    H    CYS   2           H        CYS   2   3.711   5.080   4.573
   11    HA   CYS   2           HA       CYS   2   2.754   7.194   2.818
   12    HB2  CYS   2           2HB      CYS   2   1.232   5.739   4.960
   13    HB3  CYS   2           1HB      CYS   2   0.610   7.142   4.096
   14    H    GLU   3           H        GLU   3   3.876   6.376   5.939
   15    HA   GLU   3           HA       GLU   3   3.191   8.536   7.475
   16    HB2  GLU   3           2HB      GLU   3   5.073   7.848   8.910
   17    HB3  GLU   3           1HB      GLU   3   3.984   6.507   8.522
   18    HG2  GLU   3           2HG      GLU   3   6.872   7.012   7.842
   19    HG3  GLU   3           1HG      GLU   3   6.115   5.551   8.452
   20    H    ARG   4           H        ARG   4   6.478   8.094   6.292
   21    HA   ARG   4           HA       ARG   4   7.037  10.789   6.726
   22    HB2  ARG   4           2HB      ARG   4   8.790   9.185   7.080
   23    HB3  ARG   4           1HB      ARG   4   8.654   8.582   5.442
   24    HG2  ARG   4           2HG      ARG   4   9.482  11.413   5.930
   25    HG3  ARG   4           1HG      ARG   4  10.660  10.108   6.110
   26    HD2  ARG   4           2HD      ARG   4  10.327   9.452   3.811
   27    HD3  ARG   4           1HD      ARG   4   8.995  10.588   3.637
   28    HE   ARG   4           HE       ARG   4  11.390  11.878   4.392
   29   HH11  ARG   4          1HH1      ARG   4   9.844  10.329   1.608
   30   HH12  ARG   4          2HH1      ARG   4  10.446  11.365   0.433
   31   HH21  ARG   4          1HH2      ARG   4  12.349  13.360   2.755
   32   HH22  ARG   4          2HH2      ARG   4  11.954  13.147   1.109
   33    H    GLU   5           H        GLU   5   6.122   8.909   4.039
   34    HA   GLU   5           HA       GLU   5   6.999  10.608   1.952
   35    HB2  GLU   5           2HB      GLU   5   4.939   8.416   1.896
   36    HB3  GLU   5           1HB      GLU   5   5.614   9.202   0.480
   37    HG2  GLU   5           2HG      GLU   5   7.167   7.599   2.505
   38    HG3  GLU   5           1HG      GLU   5   6.659   7.027   0.922
   39    H    GLN   6           H        GLN   6   3.702  10.229   3.412
   40    HA   GLN   6           HA       GLN   6   2.844  12.534   1.744
   41    HB2  GLN   6           2HB      GLN   6   1.220  10.181   2.670
   42    HB3  GLN   6           1HB      GLN   6   0.659  11.514   1.686
   43    HG2  GLN   6           2HG      GLN   6   2.772   9.578   0.846
   44    HG3  GLN   6           1HG      GLN   6   1.035   9.374   0.541
   45   HE21  GLN   6          1HE2      GLN   6   1.287   9.420  -1.653
   46   HE22  GLN   6          2HE2      GLN   6   1.666  10.841  -2.536
   47    H    GLN   7           H        GLN   7   3.501  11.374   4.762
   48    HA   GLN   7           HA       GLN   7   2.932  11.567   6.737
   49    HB2  GLN   7           2HB      GLN   7   1.629  14.168   5.889
   50    HB3  GLN   7           1HB      GLN   7   1.969  13.748   7.567
   51    HG2  GLN   7           2HG      GLN   7   4.330  13.626   7.091
   52    HG3  GLN   7           1HG      GLN   7   4.022  13.942   5.391
   53   HE21  GLN   7          1HE2      GLN   7   5.276  15.784   5.375
   54   HE22  GLN   7          2HE2      GLN   7   4.804  17.254   6.170
   55    H    LEU   8           H        LEU   8   1.233  10.202   4.997
   56    HA   LEU   8           HA       LEU   8  -1.510  10.337   6.101
   57    HB2  LEU   8           2HB      LEU   8  -0.374   8.999   3.674
   58    HB3  LEU   8           1HB      LEU   8  -1.986   8.713   4.299
   59    HG   LEU   8           HG       LEU   8  -0.967  11.375   3.496
   60   HD11  LEU   8          1HD1      LEU   8  -2.329  11.042   1.392
   61   HD12  LEU   8          2HD1      LEU   8  -2.632   9.379   1.905
   62   HD13  LEU   8          3HD1      LEU   8  -0.993   9.896   1.515
   63   HD21  LEU   8          3HD2      LEU   8  -2.837  11.521   4.995
   64   HD22  LEU   8          1HD2      LEU   8  -3.750  10.357   4.032
   65   HD23  LEU   8          2HD2      LEU   8  -3.387  11.950   3.378
   66    H    GLU   9           H        GLU   9  -2.474   8.598   6.423
   67    HA   GLU   9           HA       GLU   9  -1.088   6.706   8.167
   68    HB2  GLU   9           2HB      GLU   9  -3.426   7.764   8.523
   69    HB3  GLU   9           1HB      GLU   9  -3.875   6.665   7.213
   70    HG2  GLU   9           2HG      GLU   9  -3.357   4.755   8.571
   71    HG3  GLU   9           1HG      GLU   9  -2.870   5.816   9.902
   72    H    SER  10           H        SER  10  -1.134   4.410   7.629
   73    HA   SER  10           HA       SER  10  -1.119   3.872   4.839
   74    HB2  SER  10           2HB      SER  10  -0.036   1.908   5.615
   75    HB3  SER  10           1HB      SER  10   0.531   3.457   6.390
   76    HG   SER  10           HG       SER  10  -1.439   2.141   7.761
   77    H    CYS  11           H        CYS  11  -2.318   2.024   4.028
   78    HA   CYS  11           HA       CYS  11  -4.182   0.644   5.662
   79    HB2  CYS  11           2HB      CYS  11  -5.520   2.798   5.188
   80    HB3  CYS  11           1HB      CYS  11  -5.338   2.423   3.472
   81    H    ALA  12           H        ALA  12  -5.676  -0.567   3.815
   82    HA   ALA  12           HA       ALA  12  -3.780  -1.515   1.796
   83    HB1  ALA  12           1HB      ALA  12  -5.608  -3.189   3.518
   84    HB2  ALA  12           2HB      ALA  12  -3.849  -3.132   3.634
   85    HB3  ALA  12           3HB      ALA  12  -4.619  -3.803   2.191
   86    H    CYS  13           H        CYS  13  -4.686  -1.790  -0.174
   87    HA   CYS  13           HA       CYS  13  -7.335  -0.763  -0.580
   88    HB2  CYS  13           2HB      CYS  13  -5.291  -1.903  -2.493
   89    HB3  CYS  13           1HB      CYS  13  -6.790  -1.147  -2.968
   90    H    ASN  14           H        ASN  14  -9.127  -1.702  -0.828
   91    HA   ASN  14           HA       ASN  14  -9.574  -4.319   0.027
   92    HB2  ASN  14           2HB      ASN  14 -11.241  -2.498   0.158
   93    HB3  ASN  14           1HB      ASN  14 -11.395  -2.540  -1.591
   94   HD21  ASN  14          1HD2      ASN  14 -11.170  -5.429   0.478
   95   HD22  ASN  14          2HD2      ASN  14 -12.782  -5.945   0.141
   96    H    GLU  15           H        GLU  15  -8.966  -3.072  -3.138
   97    HA   GLU  15           HA       GLU  15  -9.968  -5.181  -4.547
   98    HB2  GLU  15           2HB      GLU  15  -9.412  -2.911  -5.485
   99    HB3  GLU  15           1HB      GLU  15  -7.716  -3.313  -5.307
  100    HG2  GLU  15           2HG      GLU  15  -9.584  -4.833  -7.116
  101    HG3  GLU  15           1HG      GLU  15  -8.624  -3.452  -7.641
  102    H    THR  16           H        THR  16  -8.746  -7.098  -5.312
  103    HA   THR  16           HA       THR  16  -7.204  -8.318  -3.357
  104    HB   THR  16           HB       THR  16  -7.543  -9.039  -6.253
  105    HG1  THR  16           1HG      THR  16  -9.204  -9.044  -4.256
  106   HG21  THR  16          3HG2      THR  16  -6.501 -10.773  -3.975
  107   HG22  THR  16          1HG2      THR  16  -5.475 -10.060  -5.215
  108   HG23  THR  16          2HG2      THR  16  -6.691 -11.262  -5.655
  109    H    ASP  17           H        ASP  17  -6.122  -6.972  -6.475
  110    HA   ASP  17           HA       ASP  17  -3.504  -7.958  -5.924
  111    HB2  ASP  17           2HB      ASP  17  -4.501  -7.620  -8.216
  112    HB3  ASP  17           1HB      ASP  17  -4.247  -5.891  -7.894
  113    H    ASN  18           H        ASN  18  -5.267  -4.955  -5.627
  114    HA   ASN  18           HA       ASN  18  -2.948  -3.525  -5.063
  115    HB2  ASN  18           2HB      ASN  18  -5.826  -2.754  -5.151
  116    HB3  ASN  18           1HB      ASN  18  -4.649  -1.670  -4.421
  117   HD21  ASN  18          1HD2      ASN  18  -5.550  -3.306  -7.403
  118   HD22  ASN  18          2HD2      ASN  18  -4.688  -2.235  -8.443
  119    H    SER  19           H        SER  19  -4.529  -5.684  -3.239
  120    HA   SER  19           HA       SER  19  -4.331  -4.454  -0.675
  121    HB2  SER  19           2HB      SER  19  -3.867  -7.421  -1.164
  122    HB3  SER  19           1HB      SER  19  -4.631  -6.640   0.216
  123    HG   SER  19           HG       SER  19  -6.026  -5.874  -1.785
  124    H    CYS  20           H        CYS  20  -2.067  -5.932  -2.849
  125    HA   CYS  20           HA       CYS  20   0.152  -5.859  -0.984
  126    HB2  CYS  20           2HB      CYS  20  -0.235  -6.817  -3.748
  127    HB3  CYS  20           1HB      CYS  20   1.388  -6.424  -3.202
  128    H    LYS  21           H        LYS  21  -1.290  -3.377  -2.258
  129    HA   LYS  21           HA       LYS  21   1.226  -1.989  -2.924
  130    HB2  LYS  21           2HB      LYS  21  -1.608  -1.294  -3.481
  131    HB3  LYS  21           1HB      LYS  21  -0.182  -0.449  -4.115
  132    HG2  LYS  21           2HG      LYS  21  -1.185  -3.187  -4.836
  133    HG3  LYS  21           1HG      LYS  21  -1.316  -1.751  -5.877
  134    HD2  LYS  21           2HD      LYS  21   1.202  -1.766  -5.891
  135    HD3  LYS  21           1HD      LYS  21   1.067  -3.271  -4.951
  136    HE2  LYS  21           2HE      LYS  21  -0.167  -2.885  -7.691
  137    HE3  LYS  21           1HE      LYS  21   1.395  -3.653  -7.426
  138    HZ1  LYS  21           3HZ      LYS  21  -0.657  -5.140  -7.650
  139    HZ2  LYS  21           1HZ      LYS  21  -1.087  -4.677  -6.130
  140    HZ3  LYS  21           2HZ      LYS  21   0.354  -5.516  -6.395
  141    H    VAL  22           H        VAL  22   1.653  -0.357  -2.182
  142    HA   VAL  22           HA       VAL  22   0.912  -0.165   0.521
  143    HB   VAL  22           HB       VAL  22   2.741   1.446  -1.221
  144   HG11  VAL  22          1HG1      VAL  22   3.594   2.292   0.968
  145   HG12  VAL  22          2HG1      VAL  22   2.100   1.588   1.691
  146   HG13  VAL  22          3HG1      VAL  22   1.984   2.819   0.434
  147   HG21  VAL  22          3HG2      VAL  22   3.258  -0.951  -0.902
  148   HG22  VAL  22          1HG2      VAL  22   3.262  -0.749   0.835
  149   HG23  VAL  22          2HG2      VAL  22   4.491   0.072  -0.116
  150    H    CYS  23           H        CYS  23  -0.894   0.499   0.724
  151    HA   CYS  23           HA       CYS  23  -1.845   2.884  -0.700
  152    HB2  CYS  23           2HB      CYS  23  -3.526   1.061   0.998
  153    HB3  CYS  23           1HB      CYS  23  -4.034   2.294  -0.169
  154    H    CYS  24           H        CYS  24  -2.677   4.647   0.367
  155    HA   CYS  24           HA       CYS  24  -1.916   4.914   3.167
  156    HB2  CYS  24           2HB      CYS  24  -2.419   6.977   1.009
  157    HB3  CYS  24           1HB      CYS  24  -1.955   7.328   2.666
  158    H    ARG  25           H        ARG  25  -3.536   6.595   4.246
  159    HA   ARG  25           HA       ARG  25  -6.184   5.902   3.260
  160    HB2  ARG  25           2HB      ARG  25  -5.277   4.775   5.402
  161    HB3  ARG  25           1HB      ARG  25  -5.428   6.370   6.106
  162    HG2  ARG  25           2HG      ARG  25  -7.765   5.268   4.729
  163    HG3  ARG  25           1HG      ARG  25  -7.356   4.578   6.313
  164    HD2  ARG  25           2HD      ARG  25  -7.866   7.499   5.645
  165    HD3  ARG  25           1HD      ARG  25  -8.999   6.435   6.477
  166    HE   ARG  25           HE       ARG  25  -6.834   6.271   8.044
  167   HH11  ARG  25          1HH1      ARG  25  -8.392   9.138   6.674
  168   HH12  ARG  25          2HH1      ARG  25  -8.134  10.124   8.040
  169   HH21  ARG  25          1HH2      ARG  25  -6.386   7.577   9.861
  170   HH22  ARG  25          2HH2      ARG  25  -6.907   9.188   9.966
  171    H    ASP  26           H        ASP  26  -7.384   7.638   2.815
  172    HA   ASP  26           HA       ASP  26  -6.020  10.161   3.134
  173    HB2  ASP  26           2HB      ASP  26  -7.004  10.791   1.143
  174    HB3  ASP  26           1HB      ASP  26  -6.938   9.051   0.891
  175    H    LEU  27           H        LEU  27  -7.895  11.744   2.860
  176    HA   LEU  27           HA       LEU  27  -8.782  12.185   5.431
  177    HB2  LEU  27           2HB      LEU  27 -10.106  14.056   4.273
  178    HB3  LEU  27           1HB      LEU  27  -8.348  14.218   4.491
  179    HG   LEU  27           HG       LEU  27  -9.579  13.191   1.925
  180   HD11  LEU  27          1HD1      LEU  27  -9.146  16.092   2.695
  181   HD12  LEU  27          2HD1      LEU  27 -10.717  15.322   2.456
  182   HD13  LEU  27          3HD1      LEU  27  -9.614  15.518   1.095
  183   HD21  LEU  27          3HD2      LEU  27  -7.117  13.051   2.173
  184   HD22  LEU  27          1HD2      LEU  27  -7.071  14.781   2.503
  185   HD23  LEU  27          2HD2      LEU  27  -7.577  14.197   0.921
  186    H    SER  28           H        SER  28 -10.369  11.187   2.518
  187    HA   SER  28           HA       SER  28 -13.015  11.492   3.391
  188    HB2  SER  28           2HB      SER  28 -11.817   9.893   1.171
  189    HB3  SER  28           1HB      SER  28 -13.499  10.483   1.228
  190    HG   SER  28           HG       SER  28 -11.085  11.718   0.701
  191    H    GLY  29           H        GLY  29 -10.527   9.376   3.963
  192    HA2  GLY  29           2HA      GLY  29 -10.372   7.702   5.206
  193    HA3  GLY  29           1HA      GLY  29 -12.138   7.555   5.397
  194    H    ARG  30           H        ARG  30 -10.263   7.573   2.400
  195    HA   ARG  30           HA       ARG  30 -11.065   4.816   1.940
  196    HB2  ARG  30           2HB      ARG  30 -10.624   7.145   0.092
  197    HB3  ARG  30           1HB      ARG  30 -10.369   5.516  -0.498
  198    HG2  ARG  30           2HG      ARG  30 -12.576   6.305  -1.099
  199    HG3  ARG  30           1HG      ARG  30 -12.693   4.958   0.019
  200    HD2  ARG  30           2HD      ARG  30 -13.128   6.556   1.852
  201    HD3  ARG  30           1HD      ARG  30 -13.043   7.885   0.693
  202    HE   ARG  30           HE       ARG  30 -14.856   6.242  -0.396
  203   HH11  ARG  30          1HH1      ARG  30 -14.671   7.812   2.795
  204   HH12  ARG  30          2HH1      ARG  30 -16.326   7.814   3.079
  205   HH21  ARG  30          1HH2      ARG  30 -17.210   6.248  -0.013
  206   HH22  ARG  30          2HH2      ARG  30 -17.825   6.899   1.431
  207    H    CYS  31           H        CYS  31  -9.505   3.483   0.918
  208    HA   CYS  31           HA       CYS  31  -6.815   4.172   1.770
  209    HB2  CYS  31           2HB      CYS  31  -7.942   1.477   0.978
  210    HB3  CYS  31           1HB      CYS  31  -6.405   1.780   1.790
  211    H    VAL  32           H        VAL  32  -5.704   5.087   0.238
  212    HA   VAL  32           HA       VAL  32  -6.217   4.357  -2.434
  213    HB   VAL  32           HB       VAL  32  -5.045   6.649  -2.934
  214   HG11  VAL  32          1HG1      VAL  32  -7.834   6.401  -1.821
  215   HG12  VAL  32          2HG1      VAL  32  -7.270   6.026  -3.459
  216   HG13  VAL  32          3HG1      VAL  32  -7.243   7.702  -2.883
  217   HG21  VAL  32          3HG2      VAL  32  -6.160   7.223  -0.165
  218   HG22  VAL  32          1HG2      VAL  32  -5.274   8.312  -1.220
  219   HG23  VAL  32          2HG2      VAL  32  -4.455   6.920  -0.468
  220    HA   PRO  33           HA       PRO  33  -2.089   2.696  -2.705
  221    HB2  PRO  33           2HB      PRO  33  -1.666   3.188  -5.399
  222    HB3  PRO  33           1HB      PRO  33  -2.599   1.808  -4.782
  223    HG2  PRO  33           2HG      PRO  33  -3.592   4.400  -5.849
  224    HG3  PRO  33           1HG      PRO  33  -4.236   2.762  -6.080
  225    HD2  PRO  33           2HD      PRO  33  -5.402   4.457  -4.340
  226    HD3  PRO  33           1HD      PRO  33  -5.266   2.718  -4.011
  227    H    TYR  34           H        TYR  34  -0.151   3.674  -2.090
  228    HA   TYR  34           HA       TYR  34   0.060   6.458  -2.408
  229    HB2  TYR  34           2HB      TYR  34   1.100   6.098  -0.542
  230    HB3  TYR  34           1HB      TYR  34   1.524   4.416  -0.893
  231    HD1  TYR  34           1HD      TYR  34   2.643   8.046  -1.799
  232    HD2  TYR  34           2HD      TYR  34   3.797   3.923  -1.171
  233    HE1  TYR  34           1HE      TYR  34   4.818   8.610  -2.074
  234    HE2  TYR  34           2HE      TYR  34   6.108   4.624  -1.453
  235    HH   TYR  34           HH       TYR  34   7.183   7.621  -1.266
  236    H    VAL  35           H        VAL  35   0.873   7.654  -3.836
  237    HA   VAL  35           HA       VAL  35   3.223   6.968  -5.198
  238    HB   VAL  35           HB       VAL  35   1.522   8.609  -6.713
  239   HG11  VAL  35          1HG1      VAL  35   3.502   7.775  -7.491
  240   HG12  VAL  35          2HG1      VAL  35   2.219   7.297  -8.608
  241   HG13  VAL  35          3HG1      VAL  35   2.923   6.106  -7.491
  242   HG21  VAL  35          3HG2      VAL  35  -0.142   7.063  -7.658
  243   HG22  VAL  35          1HG2      VAL  35  -0.324   7.247  -5.909
  244   HG23  VAL  35          2HG2      VAL  35   0.431   5.788  -6.564
  245    H    ASP  36           H        ASP  36   4.337   8.891  -5.064
  246    HA   ASP  36           HA       ASP  36   2.869  11.300  -4.099
  247    HB2  ASP  36           2HB      ASP  36   4.949  11.965  -3.207
  248    HB3  ASP  36           1HB      ASP  36   4.677  10.304  -2.665
  249    H    ALA  37           H        ALA  37   4.376  12.972  -4.603
  250    HA   ALA  37           HA       ALA  37   2.870  13.400  -6.757
  251    HB1  ALA  37           1HB      ALA  37   3.618  15.702  -6.518
  252    HB2  ALA  37           2HB      ALA  37   4.983  15.046  -5.549
  253    HB3  ALA  37           3HB      ALA  37   3.315  14.770  -5.007
  254    H    GLU  38           H        GLU  38   6.093  12.375  -6.258
  255    HA   GLU  38           HA       GLU  38   7.185  13.073  -8.656
  256    HB2  GLU  38           2HB      GLU  38   7.888  11.394  -6.375
  257    HB3  GLU  38           1HB      GLU  38   9.068  11.695  -7.674
  258    HG2  GLU  38           2HG      GLU  38   7.870  13.626  -5.665
  259    HG3  GLU  38           1HG      GLU  38   9.559  13.155  -5.808
  260    H    GLN  39           H        GLN  39   4.818  10.730  -7.753
  261    HA   GLN  39           HA       GLN  39   3.927   9.119  -8.617
  262    HB2  GLN  39           2HB      GLN  39   5.883   9.834 -10.569
  263    HB3  GLN  39           1HB      GLN  39   4.826   8.428 -10.970
  264    HG2  GLN  39           2HG      GLN  39   2.908   9.968 -10.702
  265    HG3  GLN  39           1HG      GLN  39   4.027  11.258 -10.260
  266   HE21  GLN  39          1HE2      GLN  39   5.240  12.221 -11.852
  267   HE22  GLN  39          2HE2      GLN  39   4.886  12.038 -13.542
  268    H    LYS  40           H        LYS  40   6.127   8.833  -6.743
  269    HA   LYS  40           HA       LYS  40   7.375   6.327  -7.406
  270    HB2  LYS  40           2HB      LYS  40   7.247   7.916  -4.888
  271    HB3  LYS  40           1HB      LYS  40   8.204   6.434  -5.238
  272    HG2  LYS  40           2HG      LYS  40   9.580   7.574  -6.762
  273    HG3  LYS  40           1HG      LYS  40   8.310   8.808  -6.899
  274    HD2  LYS  40           2HD      LYS  40  10.589   9.406  -5.663
  275    HD3  LYS  40           1HD      LYS  40   9.051  10.040  -5.123
  276    HE2  LYS  40           2HE      LYS  40  10.205   7.533  -3.928
  277    HE3  LYS  40           1HE      LYS  40  10.720   9.126  -3.376
  278    HZ1  LYS  40           3HZ      LYS  40   8.002   7.919  -3.158
  279    HZ2  LYS  40           1HZ      LYS  40   8.242   9.573  -3.079
  280    HZ3  LYS  40           2HZ      LYS  40   8.918   8.569  -1.936
  281    H    ASN  41           H        ASN  41   6.718   4.483  -6.733
  282    HA   ASN  41           HA       ASN  41   4.225   4.318  -5.202
  283    HB2  ASN  41           2HB      ASN  41   4.134   3.923  -7.717
  284    HB3  ASN  41           1HB      ASN  41   5.223   2.585  -7.359
  285   HD21  ASN  41          1HD2      ASN  41   2.429   3.426  -5.316
  286   HD22  ASN  41          2HD2      ASN  41   1.564   1.980  -5.671
  287    H    LEU  42           H        LEU  42   4.120   1.760  -4.695
  288    HA   LEU  42           HA       LEU  42   6.652   0.502  -4.079
  289    HB2  LEU  42           2HB      LEU  42   4.742   1.315  -1.923
  290    HB3  LEU  42           1HB      LEU  42   6.010   0.136  -1.720
  291    HG   LEU  42           HG       LEU  42   6.413   3.034  -2.325
  292   HD11  LEU  42          1HD1      LEU  42   6.973   3.205   0.075
  293   HD12  LEU  42          2HD1      LEU  42   6.686   1.470   0.255
  294   HD13  LEU  42          3HD1      LEU  42   5.342   2.537  -0.138
  295   HD21  LEU  42          3HD2      LEU  42   8.281   1.632  -3.061
  296   HD22  LEU  42          1HD2      LEU  42   8.340   0.861  -1.475
  297   HD23  LEU  42          2HD2      LEU  42   8.746   2.569  -1.641
  298    H    PHE  43           H        PHE  43   6.384  -1.713  -3.776
  299    HA   PHE  43           HA       PHE  43   3.769  -2.695  -3.910
  300    HB2  PHE  43           2HB      PHE  43   6.500  -3.788  -4.322
  301    HB3  PHE  43           1HB      PHE  43   5.066  -4.835  -4.424
  302    HD1  PHE  43           2HD      PHE  43   3.369  -4.213  -6.269
  303    HD2  PHE  43           1HD      PHE  43   7.322  -2.642  -6.129
  304    HE1  PHE  43           2HE      PHE  43   3.215  -3.608  -8.653
  305    HE2  PHE  43           1HE      PHE  43   7.170  -2.034  -8.505
  306    HZ   PHE  43           HZ       PHE  43   5.116  -2.517  -9.769
  307    H    LEU  44           H        LEU  44   3.187  -4.123  -2.064
  308    HA   LEU  44           HA       LEU  44   4.536  -3.555   0.173
  309    HB2  LEU  44           2HB      LEU  44   2.021  -4.243  -0.148
  310    HB3  LEU  44           1HB      LEU  44   2.723  -5.859  -0.052
  311    HG   LEU  44           HG       LEU  44   3.413  -5.568   2.206
  312   HD11  LEU  44          1HD1      LEU  44   4.012  -3.210   2.171
  313   HD12  LEU  44          2HD1      LEU  44   2.880  -3.546   3.478
  314   HD13  LEU  44          3HD1      LEU  44   2.314  -2.769   2.001
  315   HD21  LEU  44          3HD2      LEU  44   1.124  -6.315   1.816
  316   HD22  LEU  44          1HD2      LEU  44   0.571  -4.639   1.805
  317   HD23  LEU  44          2HD2      LEU  44   1.231  -5.341   3.282
  318    H    ARG  45           H        ARG  45   5.021  -5.820   1.566
  319    HA   ARG  45           HA       ARG  45   6.721  -7.354  -0.147
  320    HB2  ARG  45           2HB      ARG  45   6.902  -6.307   2.479
  321    HB3  ARG  45           1HB      ARG  45   7.983  -7.709   2.130
  322    HG2  ARG  45           2HG      ARG  45   8.756  -6.332   0.120
  323    HG3  ARG  45           1HG      ARG  45   7.851  -4.982   0.789
  324    HD2  ARG  45           2HD      ARG  45   9.271  -4.984   2.757
  325    HD3  ARG  45           1HD      ARG  45  10.130  -6.406   2.158
  326    HE   ARG  45           HE       ARG  45  10.181  -4.435   0.210
  327   HH11  ARG  45          1HH1      ARG  45  11.609  -5.037   3.391
  328   HH12  ARG  45          2HH1      ARG  45  13.023  -4.135   3.127
  329   HH21  ARG  45          1HH2      ARG  45  12.134  -3.173  -0.197
  330   HH22  ARG  45          2HH2      ARG  45  13.333  -3.025   0.996
  331    H    LYS  46           H        LYS  46   7.333  -9.544   0.702
  332    HA   LYS  46           HA       LYS  46   4.990 -11.060   0.624
  333    HB2  LYS  46           2HB      LYS  46   7.102 -11.781  -0.427
  334    HB3  LYS  46           1HB      LYS  46   7.756 -12.140   1.166
  335    HG2  LYS  46           2HG      LYS  46   6.061 -13.840   1.514
  336    HG3  LYS  46           1HG      LYS  46   5.298 -13.449  -0.015
  337    HD2  LYS  46           2HD      LYS  46   7.454 -14.088  -1.137
  338    HD3  LYS  46           1HD      LYS  46   8.012 -14.676   0.433
  339    HE2  LYS  46           2HE      LYS  46   7.093 -16.518  -0.891
  340    HE3  LYS  46           1HE      LYS  46   6.100 -16.218   0.531
  341    HZ1  LYS  46           3HZ      LYS  46   5.473 -15.173  -2.192
  342    HZ2  LYS  46           1HZ      LYS  46   4.501 -15.039  -0.846
  343    HZ3  LYS  46           2HZ      LYS  46   4.674 -16.511  -1.465
  344    H    GLY  47           H        GLY  47   3.908 -12.281   1.865
  345    HA2  GLY  47           2HA      GLY  47   3.124 -13.440   3.613
  346    HA3  GLY  47           1HA      GLY  47   4.631 -13.152   4.518
  347    H    LYS  48           H        LYS  48   2.652 -10.662   3.070
  348    HA   LYS  48           HA       LYS  48   1.872  -9.843   5.758
  349    HB2  LYS  48           2HB      LYS  48   2.499  -8.501   3.241
  350    HB3  LYS  48           1HB      LYS  48   1.341  -7.633   4.276
  351    HG2  LYS  48           2HG      LYS  48   3.681  -6.834   4.631
  352    HG3  LYS  48           1HG      LYS  48   3.061  -7.616   6.087
  353    HD2  LYS  48           2HD      LYS  48   4.161  -9.723   5.304
  354    HD3  LYS  48           1HD      LYS  48   4.896  -8.791   4.016
  355    HE2  LYS  48           2HE      LYS  48   6.183  -7.544   5.570
  356    HE3  LYS  48           1HE      LYS  48   5.276  -8.212   6.937
  357    HZ1  LYS  48           3HZ      LYS  48   7.451  -9.356   6.556
  358    HZ2  LYS  48           1HZ      LYS  48   6.847  -9.882   5.054
  359    HZ3  LYS  48           2HZ      LYS  48   6.097 -10.372   6.462
  360    HA   PRO  49           HA       PRO  49  -2.279 -10.941   4.994
  361    HB2  PRO  49           2HB      PRO  49  -3.313  -8.434   6.131
  362    HB3  PRO  49           1HB      PRO  49  -3.455 -10.089   6.758
  363    HG2  PRO  49           2HG      PRO  49  -1.912  -8.297   7.967
  364    HG3  PRO  49           1HG      PRO  49  -1.466 -10.014   7.875
  365    HD2  PRO  49           2HD      PRO  49  -0.444  -7.727   6.246
  366    HD3  PRO  49           1HD      PRO  49   0.438  -9.088   6.974
  367    H    CYS  50           H        CYS  50  -3.178 -10.979   3.059
  368    HA   CYS  50           HA       CYS  50  -3.811  -8.492   1.760
  369    HB2  CYS  50           2HB      CYS  50  -3.223 -11.224   0.671
  370    HB3  CYS  50           1HB      CYS  50  -4.277 -10.134  -0.218
  371    H    THR  51           H        THR  51  -5.746  -9.122   0.143
  372    HA   THR  51           HA       THR  51  -8.126  -9.422   1.527
  373    HB   THR  51           HB       THR  51  -8.759  -9.802  -1.022
  374    HG1  THR  51           1HG      THR  51  -6.472  -8.503  -1.694
  375   HG21  THR  51          3HG2      THR  51  -8.895  -7.638   0.399
  376   HG22  THR  51          1HG2      THR  51  -8.617  -7.441  -1.361
  377   HG23  THR  51          2HG2      THR  51  -7.257  -7.360  -0.284
  378    H    VAL  52           H        VAL  52  -6.522 -11.302  -0.807
  379    HA   VAL  52           HA       VAL  52  -8.166 -13.645  -0.426
  380    HB   VAL  52           HB       VAL  52  -6.970 -14.587  -2.373
  381   HG11  VAL  52          1HG1      VAL  52  -7.782 -12.809  -3.963
  382   HG12  VAL  52          2HG1      VAL  52  -8.078 -11.782  -2.543
  383   HG13  VAL  52          3HG1      VAL  52  -8.949 -13.299  -2.735
  384   HG21  VAL  52          3HG2      VAL  52  -5.361 -13.141  -3.621
  385   HG22  VAL  52          1HG2      VAL  52  -4.743 -13.508  -2.014
  386   HG23  VAL  52          2HG2      VAL  52  -5.463 -11.940  -2.363
  387    H    GLY  53           H        GLY  53  -5.180 -12.719   0.899
  388    HA2  GLY  53           2HA      GLY  53  -4.853 -14.849   2.471
  389    HA3  GLY  53           1HA      GLY  53  -3.987 -15.277   0.984
  390    H    PHE  54           H        PHE  54  -1.963 -14.578   0.783
  391    HA   PHE  54           HA       PHE  54  -1.085 -12.507   2.668
  392    HB2  PHE  54           2HB      PHE  54   0.504 -14.873   1.631
  393    HB3  PHE  54           1HB      PHE  54   1.236 -13.567   2.558
  394    HD1  PHE  54           2HD      PHE  54   0.510 -13.194   4.906
  395    HD2  PHE  54           1HD      PHE  54  -0.634 -16.637   2.681
  396    HE1  PHE  54           2HE      PHE  54  -0.051 -14.355   7.001
  397    HE2  PHE  54           1HE      PHE  54  -1.201 -17.803   4.773
  398    HZ   PHE  54           HZ       PHE  54  -0.908 -16.662   6.937
  399    H    CYS  55           H        CYS  55   0.891 -11.442   1.883
  400    HA   CYS  55           HA       CYS  55   0.465 -10.588  -0.891
  401    HB2  CYS  55           2HB      CYS  55   0.343  -8.932   0.979
  402    HB3  CYS  55           1HB      CYS  55   2.026  -9.308   1.343
  403    H    ASP  56           H        ASP  56   2.169 -10.885  -2.390
  404    HA   ASP  56           HA       ASP  56   4.518 -12.083  -1.213
  405    HB2  ASP  56           2HB      ASP  56   3.500 -13.362  -3.085
  406    HB3  ASP  56           1HB      ASP  56   3.684 -11.966  -4.142
  407    H    MET  57           H        MET  57   6.714 -11.391  -2.526
  408    HA   MET  57           HA       MET  57   7.187  -8.744  -1.837
  409    HB2  MET  57           2HB      MET  57   8.642 -10.704  -1.549
  410    HB3  MET  57           1HB      MET  57   8.699 -10.890  -3.291
  411    HG2  MET  57           2HG      MET  57  10.614  -9.891  -2.777
  412    HG3  MET  57           1HG      MET  57   9.509  -8.618  -3.364
  413    HE1  MET  57           3HE      MET  57   9.658 -10.325   0.219
  414    HE2  MET  57           1HE      MET  57  10.686  -9.195   1.095
  415    HE3  MET  57           2HE      MET  57  11.351 -10.139  -0.238
  416    H    ASN  58           H        ASN  58   6.309 -10.562  -4.682
  417    HA   ASN  58           HA       ASN  58   7.152  -8.798  -6.722
  418    HB2  ASN  58           2HB      ASN  58   6.566 -11.118  -7.185
  419    HB3  ASN  58           1HB      ASN  58   4.922 -10.849  -6.633
  420   HD21  ASN  58          1HD2      ASN  58   7.206 -10.314  -9.184
  421   HD22  ASN  58          2HD2      ASN  58   6.047  -9.833 -10.384
  422    H    GLY  59           H        GLY  59   4.588  -8.650  -4.465
  423    HA2  GLY  59           2HA      GLY  59   3.307  -6.721  -4.105
  424    HA3  GLY  59           1HA      GLY  59   3.595  -6.254  -5.779
  425    H    LYS  60           H        LYS  60   2.609  -9.445  -4.875
  426    HA   LYS  60           HA       LYS  60  -0.243  -9.069  -5.665
  427    HB2  LYS  60           2HB      LYS  60   1.676 -11.088  -6.715
  428    HB3  LYS  60           1HB      LYS  60  -0.075 -11.163  -6.899
  429    HG2  LYS  60           2HG      LYS  60  -0.065  -9.104  -8.005
  430    HG3  LYS  60           1HG      LYS  60   1.707  -8.992  -7.998
  431    HD2  LYS  60           2HD      LYS  60   1.215  -9.851 -10.166
  432    HD3  LYS  60           1HD      LYS  60   1.579 -11.300  -9.229
  433    HE2  LYS  60           2HE      LYS  60  -0.400 -11.679 -10.555
  434    HE3  LYS  60           1HE      LYS  60  -0.854 -11.613  -8.853
  435    HZ1  LYS  60           3HZ      LYS  60  -1.120  -9.360 -10.778
  436    HZ2  LYS  60           1HZ      LYS  60  -1.555  -9.306  -9.171
  437    HZ3  LYS  60           2HZ      LYS  60  -2.409 -10.298 -10.201
  438    H    CYS  61           H        CYS  61  -1.537 -10.359  -5.062
  439    HA   CYS  61           HA       CYS  61  -0.839 -11.289  -2.438
  440    HB2  CYS  61           2HB      CYS  61  -3.181 -10.503  -3.958
  441    HB3  CYS  61           1HB      CYS  61  -3.476 -11.363  -2.400
  442    H    GLU  62           H        GLU  62  -0.852 -13.339  -1.840
  443    HA   GLU  62           HA       GLU  62  -1.376 -15.334  -3.816
  444    HB2  GLU  62           2HB      GLU  62   0.338 -16.675  -2.595
  445    HB3  GLU  62           1HB      GLU  62   0.962 -15.120  -3.129
  446    HG2  GLU  62           2HG      GLU  62   0.593 -14.265  -0.791
  447    HG3  GLU  62           1HG      GLU  62   0.222 -15.917  -0.322
  Start of MODEL   18
    1    H    PHE   1           1HT      PHE   1   5.810   4.263   6.093
    2    HA   PHE   1           HA       PHE   1   5.768   3.367   4.090
    3    HB2  PHE   1           2HB      PHE   1   3.721   2.121   3.274
    4    HB3  PHE   1           1HB      PHE   1   4.877   1.197   4.230
    5    HD1  PHE   1           1HD      PHE   1   4.228   0.600   6.583
    6    HD2  PHE   1           2HD      PHE   1   1.486   2.369   3.853
    7    HE1  PHE   1           1HE      PHE   1   2.348  -0.198   7.954
    8    HE2  PHE   1           2HE      PHE   1  -0.380   1.583   5.204
    9    HZ   PHE   1           HZ       PHE   1   0.039   0.296   7.267
   10    H    CYS   2           H        CYS   2   2.890   4.521   5.732
   11    HA   CYS   2           HA       CYS   2   2.966   6.638   3.753
   12    HB2  CYS   2           2HB      CYS   2   0.643   5.650   5.407
   13    HB3  CYS   2           1HB      CYS   2   0.584   7.089   4.398
   14    H    GLU   3           H        GLU   3   3.075   5.747   7.034
   15    HA   GLU   3           HA       GLU   3   2.376   7.930   8.532
   16    HB2  GLU   3           2HB      GLU   3   4.740   6.212   9.255
   17    HB3  GLU   3           1HB      GLU   3   3.593   6.983  10.327
   18    HG2  GLU   3           2HG      GLU   3   3.095   4.703  10.433
   19    HG3  GLU   3           1HG      GLU   3   1.864   5.375   9.355
   20    H    ARG   4           H        ARG   4   5.710   7.150   7.637
   21    HA   ARG   4           HA       ARG   4   6.393   9.782   8.409
   22    HB2  ARG   4           2HB      ARG   4   7.859   8.308   9.435
   23    HB3  ARG   4           1HB      ARG   4   7.961   7.273   8.034
   24    HG2  ARG   4           2HG      ARG   4  10.071   8.504   8.729
   25    HG3  ARG   4           1HG      ARG   4   9.623   8.610   7.036
   26    HD2  ARG   4           2HD      ARG   4  10.453  10.739   8.048
   27    HD3  ARG   4           1HD      ARG   4   8.873  10.844   7.292
   28    HE   ARG   4           HE       ARG   4   9.158  10.546  10.196
   29   HH11  ARG   4          1HH1      ARG   4   7.821  12.230   7.360
   30   HH12  ARG   4          2HH1      ARG   4   7.084  13.478   8.233
   31   HH21  ARG   4          1HH2      ARG   4   8.067  12.323  11.454
   32   HH22  ARG   4          2HH2      ARG   4   7.224  13.525  10.587
   33    H    GLU   5           H        GLU   5   6.426   7.710   5.660
   34    HA   GLU   5           HA       GLU   5   7.853   9.223   3.903
   35    HB2  GLU   5           2HB      GLU   5   5.691   7.195   3.385
   36    HB3  GLU   5           1HB      GLU   5   6.914   7.723   2.235
   37    HG2  GLU   5           2HG      GLU   5   7.915   5.772   2.998
   38    HG3  GLU   5           1HG      GLU   5   8.547   6.981   4.126
   39    H    GLN   6           H        GLN   6   4.324   9.412   4.638
   40    HA   GLN   6           HA       GLN   6   4.200  11.698   2.751
   41    HB2  GLN   6           2HB      GLN   6   2.080   9.676   3.415
   42    HB3  GLN   6           1HB      GLN   6   1.880  11.072   2.374
   43    HG2  GLN   6           2HG      GLN   6   3.807   8.877   1.890
   44    HG3  GLN   6           1HG      GLN   6   2.136   8.894   1.267
   45   HE21  GLN   6          1HE2      GLN   6   5.332  10.343   0.951
   46   HE22  GLN   6          2HE2      GLN   6   4.987  11.154  -0.524
   47    H    GLN   7           H        GLN   7   3.849  10.532   5.930
   48    HA   GLN   7           HA       GLN   7   2.864  10.935   7.629
   49    HB2  GLN   7           2HB      GLN   7   2.796  13.743   6.580
   50    HB3  GLN   7           1HB      GLN   7   2.174  13.358   8.188
   51    HG2  GLN   7           2HG      GLN   7   4.285  12.386   8.803
   52    HG3  GLN   7           1HG      GLN   7   4.902  12.698   7.188
   53   HE21  GLN   7          1HE2      GLN   7   2.869  14.974   8.844
   54   HE22  GLN   7          2HE2      GLN   7   4.083  16.169   9.144
   55    H    LEU   8           H        LEU   8   1.399   9.996   5.519
   56    HA   LEU   8           HA       LEU   8  -1.398  10.765   6.008
   57    HB2  LEU   8           2HB      LEU   8  -0.061   9.034   3.957
   58    HB3  LEU   8           1HB      LEU   8  -1.795   9.074   4.229
   59    HG   LEU   8           HG       LEU   8  -0.229  11.493   3.632
   60   HD11  LEU   8          1HD1      LEU   8  -1.633   9.609   1.678
   61   HD12  LEU   8          2HD1      LEU   8   0.107   9.889   1.744
   62   HD13  LEU   8          3HD1      LEU   8  -0.977  11.182   1.222
   63   HD21  LEU   8          3HD2      LEU   8  -3.150  10.822   3.340
   64   HD22  LEU   8          1HD2      LEU   8  -2.416  12.340   2.829
   65   HD23  LEU   8          2HD2      LEU   8  -2.416  11.894   4.533
   66    H    GLU   9           H        GLU   9  -2.734   9.346   6.424
   67    HA   GLU   9           HA       GLU   9  -1.932   7.418   8.434
   68    HB2  GLU   9           2HB      GLU   9  -4.076   8.791   8.486
   69    HB3  GLU   9           1HB      GLU   9  -4.605   7.744   7.167
   70    HG2  GLU   9           2HG      GLU   9  -4.443   5.809   8.648
   71    HG3  GLU   9           1HG      GLU   9  -4.009   6.889   9.980
   72    H    SER  10           H        SER  10  -2.348   5.144   8.179
   73    HA   SER  10           HA       SER  10  -1.814   4.189   5.569
   74    HB2  SER  10           2HB      SER  10  -1.377   2.252   6.845
   75    HB3  SER  10           1HB      SER  10  -0.662   3.786   7.513
   76    HG   SER  10           HG       SER  10  -3.138   3.095   8.508
   77    H    CYS  11           H        CYS  11  -3.078   2.479   4.645
   78    HA   CYS  11           HA       CYS  11  -5.276   1.387   6.004
   79    HB2  CYS  11           2HB      CYS  11  -6.378   3.563   5.042
   80    HB3  CYS  11           1HB      CYS  11  -5.989   2.894   3.453
   81    H    ALA  12           H        ALA  12  -6.458  -0.004   4.074
   82    HA   ALA  12           HA       ALA  12  -4.271  -1.146   2.509
   83    HB1  ALA  12           1HB      ALA  12  -5.142  -3.391   3.060
   84    HB2  ALA  12           2HB      ALA  12  -6.302  -2.639   4.163
   85    HB3  ALA  12           3HB      ALA  12  -4.574  -2.530   4.495
   86    H    CYS  13           H        CYS  13  -4.885  -1.621   0.436
   87    HA   CYS  13           HA       CYS  13  -7.489  -0.826  -0.330
   88    HB2  CYS  13           2HB      CYS  13  -5.174  -2.012  -1.887
   89    HB3  CYS  13           1HB      CYS  13  -6.622  -1.357  -2.602
   90    H    ASN  14           H        ASN  14  -9.188  -2.044  -0.426
   91    HA   ASN  14           HA       ASN  14  -9.332  -4.681   0.511
   92    HB2  ASN  14           2HB      ASN  14 -11.172  -2.966   0.528
   93    HB3  ASN  14           1HB      ASN  14 -11.347  -3.253  -1.201
   94   HD21  ASN  14          1HD2      ASN  14 -13.486  -3.986  -1.011
   95   HD22  ASN  14          2HD2      ASN  14 -13.849  -5.518  -0.289
   96    H    GLU  15           H        GLU  15  -8.767  -3.465  -2.642
   97    HA   GLU  15           HA       GLU  15  -9.613  -5.633  -4.052
   98    HB2  GLU  15           2HB      GLU  15  -9.266  -3.303  -4.927
   99    HB3  GLU  15           1HB      GLU  15  -7.539  -3.573  -4.808
  100    HG2  GLU  15           2HG      GLU  15  -9.342  -5.192  -6.593
  101    HG3  GLU  15           1HG      GLU  15  -8.501  -3.732  -7.111
  102    H    THR  16           H        THR  16  -8.277  -7.404  -4.838
  103    HA   THR  16           HA       THR  16  -6.538  -8.544  -2.989
  104    HB   THR  16           HB       THR  16  -7.141  -9.238  -5.843
  105    HG1  THR  16           1HG      THR  16  -8.877  -9.825  -4.800
  106   HG21  THR  16          3HG2      THR  16  -5.647 -10.895  -3.782
  107   HG22  THR  16          1HG2      THR  16  -4.914 -10.090  -5.175
  108   HG23  THR  16          2HG2      THR  16  -6.075 -11.408  -5.416
  109    H    ASP  17           H        ASP  17  -5.736  -7.049  -6.126
  110    HA   ASP  17           HA       ASP  17  -3.044  -7.847  -5.823
  111    HB2  ASP  17           2HB      ASP  17  -4.039  -7.466  -8.030
  112    HB3  ASP  17           1HB      ASP  17  -4.260  -5.771  -7.553
  113    H    ASN  18           H        ASN  18  -4.952  -4.944  -5.239
  114    HA   ASN  18           HA       ASN  18  -2.685  -3.428  -4.561
  115    HB2  ASN  18           2HB      ASN  18  -5.608  -2.826  -4.566
  116    HB3  ASN  18           1HB      ASN  18  -4.445  -1.717  -3.853
  117   HD21  ASN  18          1HD2      ASN  18  -5.398  -3.320  -6.857
  118   HD22  ASN  18          2HD2      ASN  18  -4.617  -2.193  -7.895
  119    H    SER  19           H        SER  19  -4.243  -5.733  -2.923
  120    HA   SER  19           HA       SER  19  -3.855  -4.436  -0.430
  121    HB2  SER  19           2HB      SER  19  -4.225  -6.710   0.686
  122    HB3  SER  19           1HB      SER  19  -5.540  -6.152  -0.346
  123    HG   SER  19           HG       SER  19  -4.336  -7.567  -1.980
  124    H    CYS  20           H        CYS  20  -1.605  -5.399  -2.570
  125    HA   CYS  20           HA       CYS  20   0.320  -5.505  -0.371
  126    HB2  CYS  20           2HB      CYS  20   0.526  -7.409  -2.097
  127    HB3  CYS  20           1HB      CYS  20   1.163  -6.211  -3.223
  128    H    LYS  21           H        LYS  21  -1.126  -3.226  -1.978
  129    HA   LYS  21           HA       LYS  21   1.327  -1.655  -2.275
  130    HB2  LYS  21           2HB      LYS  21  -1.446  -1.335  -3.389
  131    HB3  LYS  21           1HB      LYS  21  -0.339   0.018  -3.226
  132    HG2  LYS  21           2HG      LYS  21  -0.136  -0.648  -5.454
  133    HG3  LYS  21           1HG      LYS  21   1.257  -1.338  -4.612
  134    HD2  LYS  21           2HD      LYS  21   0.076  -3.517  -4.529
  135    HD3  LYS  21           1HD      LYS  21  -1.240  -2.755  -5.444
  136    HE2  LYS  21           2HE      LYS  21   0.240  -2.274  -7.278
  137    HE3  LYS  21           1HE      LYS  21   1.591  -2.979  -6.397
  138    HZ1  LYS  21           3HZ      LYS  21  -0.816  -4.430  -7.409
  139    HZ2  LYS  21           1HZ      LYS  21   0.359  -5.125  -6.436
  140    HZ3  LYS  21           2HZ      LYS  21   0.732  -4.568  -7.969
  141    H    VAL  22           H        VAL  22   1.621  -0.016  -1.608
  142    HA   VAL  22           HA       VAL  22   0.887   0.255   1.079
  143    HB   VAL  22           HB       VAL  22   2.537   1.901  -0.805
  144   HG11  VAL  22          1HG1      VAL  22   1.701   3.305   0.795
  145   HG12  VAL  22          2HG1      VAL  22   3.375   2.951   1.321
  146   HG13  VAL  22          3HG1      VAL  22   1.957   2.147   2.085
  147   HG21  VAL  22          3HG2      VAL  22   3.303  -0.106   1.350
  148   HG22  VAL  22          1HG2      VAL  22   4.430   0.801   0.334
  149   HG23  VAL  22          2HG2      VAL  22   3.303  -0.389  -0.360
  150    H    CYS  23           H        CYS  23  -0.987   0.811   1.276
  151    HA   CYS  23           HA       CYS  23  -2.066   3.046  -0.289
  152    HB2  CYS  23           2HB      CYS  23  -3.755   1.336   1.495
  153    HB3  CYS  23           1HB      CYS  23  -4.178   2.420   0.151
  154    H    CYS  24           H        CYS  24  -2.698   4.885   0.586
  155    HA   CYS  24           HA       CYS  24  -2.189   5.254   3.429
  156    HB2  CYS  24           2HB      CYS  24  -2.174   7.238   1.137
  157    HB3  CYS  24           1HB      CYS  24  -1.760   7.592   2.804
  158    H    ARG  25           H        ARG  25  -3.728   7.238   4.162
  159    HA   ARG  25           HA       ARG  25  -6.298   6.739   2.899
  160    HB2  ARG  25           2HB      ARG  25  -5.763   5.691   5.207
  161    HB3  ARG  25           1HB      ARG  25  -5.850   7.342   5.788
  162    HG2  ARG  25           2HG      ARG  25  -8.090   6.302   4.203
  163    HG3  ARG  25           1HG      ARG  25  -7.937   5.738   5.873
  164    HD2  ARG  25           2HD      ARG  25  -8.110   8.628   4.929
  165    HD3  ARG  25           1HD      ARG  25  -9.441   7.710   5.640
  166    HE   ARG  25           HE       ARG  25  -7.555   7.529   7.535
  167   HH11  ARG  25          1HH1      ARG  25  -8.703  10.383   5.784
  168   HH12  ARG  25          2HH1      ARG  25  -8.616  11.433   7.124
  169   HH21  ARG  25          1HH2      ARG  25  -7.331   8.920   9.327
  170   HH22  ARG  25          2HH2      ARG  25  -7.770  10.556   9.268
  171    H    ASP  26           H        ASP  26  -7.320   8.545   2.265
  172    HA   ASP  26           HA       ASP  26  -5.779  10.990   2.476
  173    HB2  ASP  26           2HB      ASP  26  -6.753  11.579   0.428
  174    HB3  ASP  26           1HB      ASP  26  -6.540   9.833   0.277
  175    H    LEU  27           H        LEU  27  -7.506  12.654   1.904
  176    HA   LEU  27           HA       LEU  27  -8.582  13.342   4.336
  177    HB2  LEU  27           2HB      LEU  27  -9.616  15.240   2.906
  178    HB3  LEU  27           1HB      LEU  27  -7.928  15.316   3.462
  179    HG   LEU  27           HG       LEU  27  -7.488  14.327   1.056
  180   HD11  LEU  27          1HD1      LEU  27  -9.113  14.984  -0.632
  181   HD12  LEU  27          2HD1      LEU  27 -10.237  15.480   0.635
  182   HD13  LEU  27          3HD1      LEU  27  -9.774  13.786   0.479
  183   HD21  LEU  27          3HD2      LEU  27  -6.793  16.543   1.732
  184   HD22  LEU  27          1HD2      LEU  27  -8.415  17.168   1.430
  185   HD23  LEU  27          2HD2      LEU  27  -7.434  16.576   0.089
  186    H    SER  28           H        SER  28 -10.111  12.254   1.447
  187    HA   SER  28           HA       SER  28 -12.717  12.845   2.343
  188    HB2  SER  28           2HB      SER  28 -12.263  12.811  -0.062
  189    HB3  SER  28           1HB      SER  28 -11.764  11.124   0.031
  190    HG   SER  28           HG       SER  28 -14.081  11.182   1.111
  191    H    GLY  29           H        GLY  29 -10.416  10.543   2.924
  192    HA2  GLY  29           2HA      GLY  29 -10.374   8.973   4.315
  193    HA3  GLY  29           1HA      GLY  29 -12.135   9.023   4.580
  194    H    ARG  30           H        ARG  30  -9.969   8.380   1.799
  195    HA   ARG  30           HA       ARG  30 -11.314   5.813   1.404
  196    HB2  ARG  30           2HB      ARG  30  -9.842   7.451  -0.678
  197    HB3  ARG  30           1HB      ARG  30 -10.886   6.066  -0.949
  198    HG2  ARG  30           2HG      ARG  30 -11.735   8.813  -0.053
  199    HG3  ARG  30           1HG      ARG  30 -12.003   8.090  -1.640
  200    HD2  ARG  30           2HD      ARG  30 -13.486   6.463  -0.718
  201    HD3  ARG  30           1HD      ARG  30 -13.062   6.934   0.927
  202    HE   ARG  30           HE       ARG  30 -14.365   8.792  -0.913
  203   HH11  ARG  30          1HH1      ARG  30 -14.169   7.232   2.272
  204   HH12  ARG  30          2HH1      ARG  30 -15.547   7.973   2.910
  205   HH21  ARG  30          1HH2      ARG  30 -16.274   9.869  -0.031
  206   HH22  ARG  30          2HH2      ARG  30 -16.798   9.524   1.554
  207    H    CYS  31           H        CYS  31  -9.836   4.170   0.627
  208    HA   CYS  31           HA       CYS  31  -7.169   4.555   1.709
  209    HB2  CYS  31           2HB      CYS  31  -8.540   2.012   0.805
  210    HB3  CYS  31           1HB      CYS  31  -7.052   2.127   1.748
  211    H    VAL  32           H        VAL  32  -5.798   5.290   0.281
  212    HA   VAL  32           HA       VAL  32  -6.246   4.606  -2.409
  213    HB   VAL  32           HB       VAL  32  -4.914   6.809  -2.877
  214   HG11  VAL  32          1HG1      VAL  32  -7.138   6.330  -3.522
  215   HG12  VAL  32          2HG1      VAL  32  -7.055   8.003  -2.927
  216   HG13  VAL  32          3HG1      VAL  32  -7.774   6.727  -1.922
  217   HG21  VAL  32          3HG2      VAL  32  -5.266   8.539  -1.144
  218   HG22  VAL  32          1HG2      VAL  32  -4.349   7.169  -0.493
  219   HG23  VAL  32          2HG2      VAL  32  -6.064   7.355  -0.122
  220    HA   PRO  33           HA       PRO  33  -2.179   2.852  -2.375
  221    HB2  PRO  33           2HB      PRO  33  -1.713   2.955  -5.077
  222    HB3  PRO  33           1HB      PRO  33  -2.762   1.730  -4.331
  223    HG2  PRO  33           2HG      PRO  33  -3.534   4.239  -5.727
  224    HG3  PRO  33           1HG      PRO  33  -4.279   2.628  -5.804
  225    HD2  PRO  33           2HD      PRO  33  -5.357   4.600  -4.284
  226    HD3  PRO  33           1HD      PRO  33  -5.401   2.890  -3.813
  227    H    TYR  34           H        TYR  34  -0.341   3.892  -1.844
  228    HA   TYR  34           HA       TYR  34   0.362   6.526  -2.071
  229    HB2  TYR  34           2HB      TYR  34   1.538   4.657  -0.850
  230    HB3  TYR  34           1HB      TYR  34   2.150   4.226  -2.455
  231    HD1  TYR  34           1HD      TYR  34   3.484   6.526  -3.669
  232    HD2  TYR  34           2HD      TYR  34   3.129   5.550   0.484
  233    HE1  TYR  34           1HE      TYR  34   5.324   7.718  -3.286
  234    HE2  TYR  34           2HE      TYR  34   5.178   6.847   0.880
  235    HH   TYR  34           HH       TYR  34   6.596   8.851  -1.642
  236    H    VAL  35           H        VAL  35   0.984   7.765  -3.690
  237    HA   VAL  35           HA       VAL  35   2.565   6.702  -5.781
  238    HB   VAL  35           HB       VAL  35   1.121   8.949  -6.597
  239   HG11  VAL  35          1HG1      VAL  35   1.409   6.243  -7.862
  240   HG12  VAL  35          2HG1      VAL  35   2.508   7.607  -7.909
  241   HG13  VAL  35          3HG1      VAL  35   0.941   7.748  -8.699
  242   HG21  VAL  35          3HG2      VAL  35  -1.115   8.046  -7.085
  243   HG22  VAL  35          1HG2      VAL  35  -0.760   8.013  -5.354
  244   HG23  VAL  35          2HG2      VAL  35  -0.666   6.521  -6.300
  245    H    ASP  36           H        ASP  36   4.145   7.979  -6.104
  246    HA   ASP  36           HA       ASP  36   4.457  10.452  -4.517
  247    HB2  ASP  36           2HB      ASP  36   5.925   8.192  -4.871
  248    HB3  ASP  36           1HB      ASP  36   6.441   9.189  -6.222
  249    H    ALA  37           H        ALA  37   6.020  11.615  -5.757
  250    HA   ALA  37           HA       ALA  37   3.985  13.136  -6.491
  251    HB1  ALA  37           1HB      ALA  37   5.878  13.630  -5.374
  252    HB2  ALA  37           2HB      ALA  37   5.577  14.878  -6.641
  253    HB3  ALA  37           3HB      ALA  37   6.870  13.633  -6.834
  254    H    GLU  38           H        GLU  38   6.247  11.276  -8.541
  255    HA   GLU  38           HA       GLU  38   5.151  12.444 -10.806
  256    HB2  GLU  38           2HB      GLU  38   7.234  12.133 -11.737
  257    HB3  GLU  38           1HB      GLU  38   7.185  12.443  -9.953
  258    HG2  GLU  38           2HG      GLU  38   7.370   9.685 -10.562
  259    HG3  GLU  38           1HG      GLU  38   8.881  10.544 -10.979
  260    H    GLN  39           H        GLN  39   4.071  10.375  -9.054
  261    HA   GLN  39           HA       GLN  39   2.801   8.812  -9.139
  262    HB2  GLN  39           2HB      GLN  39   3.558   8.992 -11.829
  263    HB3  GLN  39           1HB      GLN  39   2.482   7.592 -11.442
  264    HG2  GLN  39           2HG      GLN  39   0.938   9.291 -10.462
  265    HG3  GLN  39           1HG      GLN  39   2.086  10.537 -10.947
  266   HE21  GLN  39          1HE2      GLN  39   1.407   7.785 -12.964
  267   HE22  GLN  39          2HE2      GLN  39   0.521   8.650 -14.179
  268    H    LYS  40           H        LYS  40   5.570   8.295  -8.268
  269    HA   LYS  40           HA       LYS  40   6.111   5.558  -8.963
  270    HB2  LYS  40           2HB      LYS  40   6.890   7.190  -6.609
  271    HB3  LYS  40           1HB      LYS  40   7.505   5.551  -6.951
  272    HG2  LYS  40           2HG      LYS  40   8.366   6.530  -9.069
  273    HG3  LYS  40           1HG      LYS  40   7.891   8.109  -8.392
  274    HD2  LYS  40           2HD      LYS  40   9.911   6.195  -7.141
  275    HD3  LYS  40           1HD      LYS  40  10.335   7.652  -8.027
  276    HE2  LYS  40           2HE      LYS  40   8.712   7.600  -5.463
  277    HE3  LYS  40           1HE      LYS  40  10.438   7.917  -5.547
  278    HZ1  LYS  40           3HZ      LYS  40   8.377   9.549  -6.920
  279    HZ2  LYS  40           1HZ      LYS  40   9.949   9.955  -6.837
  280    HZ3  LYS  40           2HZ      LYS  40   8.934  10.008  -5.469
  281    H    ASN  41           H        ASN  41   5.515   3.819  -7.824
  282    HA   ASN  41           HA       ASN  41   3.480   4.197  -5.742
  283    HB2  ASN  41           2HB      ASN  41   2.900   2.987  -7.915
  284    HB3  ASN  41           1HB      ASN  41   4.141   1.848  -7.385
  285   HD21  ASN  41          1HD2      ASN  41   1.015   3.167  -6.365
  286   HD22  ASN  41          2HD2      ASN  41   0.497   1.737  -5.558
  287    H    LEU  42           H        LEU  42   3.541   2.092  -4.380
  288    HA   LEU  42           HA       LEU  42   6.279   1.356  -3.628
  289    HB2  LEU  42           2HB      LEU  42   4.209   2.269  -1.636
  290    HB3  LEU  42           1HB      LEU  42   5.707   1.490  -1.224
  291    HG   LEU  42           HG       LEU  42   5.272   4.327  -2.191
  292   HD11  LEU  42          1HD1      LEU  42   6.469   3.212   0.363
  293   HD12  LEU  42          2HD1      LEU  42   4.777   3.682   0.112
  294   HD13  LEU  42          3HD1      LEU  42   5.973   4.902   0.027
  295   HD21  LEU  42          3HD2      LEU  42   7.694   4.596  -2.037
  296   HD22  LEU  42          1HD2      LEU  42   7.318   3.383  -3.259
  297   HD23  LEU  42          2HD2      LEU  42   7.892   2.883  -1.664
  298    H    PHE  43           H        PHE  43   6.364  -0.834  -3.401
  299    HA   PHE  43           HA       PHE  43   3.967  -2.227  -3.109
  300    HB2  PHE  43           2HB      PHE  43   6.787  -2.911  -3.690
  301    HB3  PHE  43           1HB      PHE  43   5.569  -4.192  -3.504
  302    HD1  PHE  43           2HD      PHE  43   3.682  -4.225  -5.176
  303    HD2  PHE  43           1HD      PHE  43   7.091  -1.736  -5.668
  304    HE1  PHE  43           2HE      PHE  43   3.150  -3.972  -7.568
  305    HE2  PHE  43           1HE      PHE  43   6.563  -1.474  -8.056
  306    HZ   PHE  43           HZ       PHE  43   4.589  -2.594  -9.008
  307    H    LEU  44           H        LEU  44   3.545  -3.399  -1.156
  308    HA   LEU  44           HA       LEU  44   4.896  -2.722   1.038
  309    HB2  LEU  44           2HB      LEU  44   2.746  -4.700   0.496
  310    HB3  LEU  44           1HB      LEU  44   3.485  -4.668   2.083
  311    HG   LEU  44           HG       LEU  44   2.166  -2.259   0.799
  312   HD11  LEU  44          1HD1      LEU  44   0.555  -4.099   1.258
  313   HD12  LEU  44          2HD1      LEU  44   0.316  -2.686   2.289
  314   HD13  LEU  44          3HD1      LEU  44   1.140  -4.108   2.928
  315   HD21  LEU  44          3HD2      LEU  44   3.872  -1.739   2.501
  316   HD22  LEU  44          1HD2      LEU  44   3.057  -2.820   3.627
  317   HD23  LEU  44          2HD2      LEU  44   2.247  -1.359   3.067
  318    H    ARG  45           H        ARG  45   5.327  -4.921   2.601
  319    HA   ARG  45           HA       ARG  45   7.558  -6.210   1.427
  320    HB2  ARG  45           2HB      ARG  45   6.328  -6.030   4.038
  321    HB3  ARG  45           1HB      ARG  45   7.328  -7.477   3.762
  322    HG2  ARG  45           2HG      ARG  45   8.718  -5.869   4.875
  323    HG3  ARG  45           1HG      ARG  45   9.211  -5.860   3.193
  324    HD2  ARG  45           2HD      ARG  45   7.310  -3.837   4.385
  325    HD3  ARG  45           1HD      ARG  45   9.052  -3.616   4.351
  326    HE   ARG  45           HE       ARG  45   7.620  -4.054   1.834
  327   HH11  ARG  45          1HH1      ARG  45   9.493  -1.868   3.923
  328   HH12  ARG  45          2HH1      ARG  45   9.648  -0.635   2.769
  329   HH21  ARG  45          1HH2      ARG  45   7.791  -2.293   0.217
  330   HH22  ARG  45          2HH2      ARG  45   8.648  -0.897   0.603
  331    H    LYS  46           H        LYS  46   7.811  -8.626   1.673
  332    HA   LYS  46           HA       LYS  46   5.445  -9.879   0.564
  333    HB2  LYS  46           2HB      LYS  46   6.959 -11.722  -0.181
  334    HB3  LYS  46           1HB      LYS  46   7.464 -10.158  -0.783
  335    HG2  LYS  46           2HG      LYS  46   9.478 -11.100  -0.194
  336    HG3  LYS  46           1HG      LYS  46   9.084 -10.218   1.278
  337    HD2  LYS  46           2HD      LYS  46   9.464 -12.168   2.338
  338    HD3  LYS  46           1HD      LYS  46   7.896 -12.663   1.710
  339    HE2  LYS  46           2HE      LYS  46  10.582 -13.178   0.405
  340    HE3  LYS  46           1HE      LYS  46   9.624 -14.360   1.278
  341    HZ1  LYS  46           3HZ      LYS  46   7.896 -14.155  -0.516
  342    HZ2  LYS  46           1HZ      LYS  46   9.356 -14.630  -1.122
  343    HZ3  LYS  46           2HZ      LYS  46   8.809 -13.081  -1.326
  344    H    GLY  47           H        GLY  47   4.555 -11.754   1.284
  345    HA2  GLY  47           2HA      GLY  47   3.905 -13.343   2.776
  346    HA3  GLY  47           1HA      GLY  47   5.251 -12.907   3.866
  347    H    LYS  48           H        LYS  48   3.564 -10.263   2.771
  348    HA   LYS  48           HA       LYS  48   2.327  -9.777   5.318
  349    HB2  LYS  48           2HB      LYS  48   3.440  -8.184   3.589
  350    HB3  LYS  48           1HB      LYS  48   1.903  -8.226   2.777
  351    HG2  LYS  48           2HG      LYS  48   2.302  -7.293   5.635
  352    HG3  LYS  48           1HG      LYS  48   2.200  -6.227   4.250
  353    HD2  LYS  48           2HD      LYS  48  -0.041  -8.105   5.010
  354    HD3  LYS  48           1HD      LYS  48   0.115  -6.510   5.729
  355    HE2  LYS  48           2HE      LYS  48  -1.468  -6.339   3.952
  356    HE3  LYS  48           1HE      LYS  48  -0.007  -5.551   3.397
  357    HZ1  LYS  48           3HZ      LYS  48  -0.975  -8.251   2.658
  358    HZ2  LYS  48           1HZ      LYS  48   0.479  -7.593   2.078
  359    HZ3  LYS  48           2HZ      LYS  48  -0.994  -6.881   1.678
  360    HA   PRO  49           HA       PRO  49  -1.368 -12.200   4.131
  361    HB2  PRO  49           2HB      PRO  49  -2.498 -10.481   6.301
  362    HB3  PRO  49           1HB      PRO  49  -2.615 -12.242   6.094
  363    HG2  PRO  49           2HG      PRO  49  -0.996 -11.264   7.904
  364    HG3  PRO  49           1HG      PRO  49  -0.501 -12.639   6.896
  365    HD2  PRO  49           2HD      PRO  49   0.365  -9.797   6.733
  366    HD3  PRO  49           1HD      PRO  49   1.280 -11.287   6.428
  367    H    CYS  50           H        CYS  50  -3.134 -11.779   2.865
  368    HA   CYS  50           HA       CYS  50  -3.803  -9.006   2.424
  369    HB2  CYS  50           2HB      CYS  50  -3.412 -11.132   0.347
  370    HB3  CYS  50           1HB      CYS  50  -3.992  -9.489   0.067
  371    H    THR  51           H        THR  51  -5.681  -9.466   0.424
  372    HA   THR  51           HA       THR  51  -8.058 -10.060   1.597
  373    HB   THR  51           HB       THR  51  -8.776 -10.209  -0.850
  374    HG1  THR  51           1HG      THR  51  -7.309 -10.206  -2.378
  375   HG21  THR  51          3HG2      THR  51  -6.806  -8.023  -0.261
  376   HG22  THR  51          1HG2      THR  51  -8.467  -8.006   0.360
  377   HG23  THR  51          2HG2      THR  51  -8.142  -7.939  -1.388
  378    H    VAL  52           H        VAL  52  -6.130 -11.876  -0.565
  379    HA   VAL  52           HA       VAL  52  -7.739 -14.279  -0.179
  380    HB   VAL  52           HB       VAL  52  -6.801 -15.034  -2.337
  381   HG11  VAL  52          1HG1      VAL  52  -8.913 -13.862  -2.313
  382   HG12  VAL  52          2HG1      VAL  52  -7.989 -13.267  -3.700
  383   HG13  VAL  52          3HG1      VAL  52  -8.103 -12.303  -2.221
  384   HG21  VAL  52          3HG2      VAL  52  -4.644 -13.878  -2.348
  385   HG22  VAL  52          1HG2      VAL  52  -5.417 -12.299  -2.358
  386   HG23  VAL  52          2HG2      VAL  52  -5.582 -13.351  -3.739
  387    H    GLY  53           H        GLY  53  -4.362 -13.420  -0.285
  388    HA2  GLY  53           2HA      GLY  53  -3.757 -15.713   1.393
  389    HA3  GLY  53           1HA      GLY  53  -2.977 -15.584  -0.191
  390    H    PHE  54           H        PHE  54  -1.002 -14.724  -0.157
  391    HA   PHE  54           HA       PHE  54  -0.478 -12.646   1.856
  392    HB2  PHE  54           2HB      PHE  54   1.365 -14.881   1.001
  393    HB3  PHE  54           1HB      PHE  54   1.875 -13.541   2.022
  394    HD1  PHE  54           1HD      PHE  54   0.885 -13.347   4.319
  395    HD2  PHE  54           2HD      PHE  54   0.271 -16.771   1.867
  396    HE1  PHE  54           1HE      PHE  54   0.217 -14.644   6.300
  397    HE2  PHE  54           2HE      PHE  54  -0.402 -18.071   3.842
  398    HZ   PHE  54           HZ       PHE  54  -0.427 -17.006   6.063
  399    H    CYS  55           H        CYS  55   1.170 -11.227   1.153
  400    HA   CYS  55           HA       CYS  55   1.150 -10.906  -1.745
  401    HB2  CYS  55           2HB      CYS  55   0.906  -8.849  -0.628
  402    HB3  CYS  55           1HB      CYS  55   2.222  -9.214   0.488
  403    H    ASP  56           H        ASP  56   2.833 -11.543  -3.028
  404    HA   ASP  56           HA       ASP  56   5.284 -11.730  -1.473
  405    HB2  ASP  56           2HB      ASP  56   4.292 -13.938  -2.506
  406    HB3  ASP  56           1HB      ASP  56   5.103 -13.372  -3.970
  407    H    MET  57           H        MET  57   7.074 -12.074  -3.783
  408    HA   MET  57           HA       MET  57   7.905  -9.560  -4.143
  409    HB2  MET  57           2HB      MET  57   9.042 -11.759  -4.346
  410    HB3  MET  57           1HB      MET  57   8.311 -11.922  -5.935
  411    HG2  MET  57           2HG      MET  57   9.355  -9.873  -6.597
  412    HG3  MET  57           1HG      MET  57  10.061  -9.809  -4.961
  413    HE1  MET  57           3HE      MET  57  13.157 -10.707  -7.337
  414    HE2  MET  57           1HE      MET  57  12.513  -9.524  -6.199
  415    HE3  MET  57           2HE      MET  57  11.770  -9.711  -7.787
  416    H    ASN  58           H        ASN  58   5.202 -10.923  -5.717
  417    HA   ASN  58           HA       ASN  58   5.522  -9.472  -8.202
  418    HB2  ASN  58           2HB      ASN  58   4.406 -11.756  -7.970
  419    HB3  ASN  58           1HB      ASN  58   3.059 -10.925  -7.207
  420   HD21  ASN  58          1HD2      ASN  58   4.745 -11.539 -10.117
  421   HD22  ASN  58          2HD2      ASN  58   3.588 -10.875 -11.219
  422    H    GLY  59           H        GLY  59   4.411  -8.756  -5.039
  423    HA2  GLY  59           2HA      GLY  59   3.176  -6.891  -4.141
  424    HA3  GLY  59           1HA      GLY  59   3.350  -6.164  -5.760
  425    H    LYS  60           H        LYS  60   2.115  -9.212  -4.966
  426    HA   LYS  60           HA       LYS  60  -0.698  -8.496  -5.405
  427    HB2  LYS  60           2HB      LYS  60   0.529  -9.332  -7.575
  428    HB3  LYS  60           1HB      LYS  60   0.769 -10.786  -6.603
  429    HG2  LYS  60           2HG      LYS  60  -1.565 -11.246  -6.524
  430    HG3  LYS  60           1HG      LYS  60  -1.963  -9.682  -7.236
  431    HD2  LYS  60           2HD      LYS  60  -0.247 -11.646  -8.723
  432    HD3  LYS  60           1HD      LYS  60  -1.998 -11.821  -8.724
  433    HE2  LYS  60           2HE      LYS  60  -1.130 -10.589 -10.705
  434    HE3  LYS  60           1HE      LYS  60  -2.272  -9.655  -9.754
  435    HZ1  LYS  60           3HZ      LYS  60  -0.301  -8.391 -10.519
  436    HZ2  LYS  60           1HZ      LYS  60   0.686  -9.343  -9.519
  437    HZ3  LYS  60           2HZ      LYS  60  -0.557  -8.344  -8.886
  438    H    CYS  61           H        CYS  61  -1.833 -10.292  -4.872
  439    HA   CYS  61           HA       CYS  61  -0.641 -11.406  -2.511
  440    HB2  CYS  61           2HB      CYS  61  -3.087 -10.036  -3.152
  441    HB3  CYS  61           1HB      CYS  61  -3.122 -11.056  -1.677
  442    H    GLU  62           H        GLU  62  -0.620 -13.446  -2.555
  443    HA   GLU  62           HA       GLU  62  -2.190 -14.888  -4.465
  444    HB2  GLU  62           2HB      GLU  62   0.765 -15.135  -3.765
  445    HB3  GLU  62           1HB      GLU  62  -0.086 -16.030  -5.027
  446    HG2  GLU  62           2HG      GLU  62  -0.445 -14.039  -6.325
  447    HG3  GLU  62           1HG      GLU  62   0.071 -13.047  -4.973
  Start of MODEL   19
    1    H    PHE   1           1HT      PHE   1   5.730   5.397   6.668
    2    HA   PHE   1           HA       PHE   1   7.026   5.822   4.782
    3    HB2  PHE   1           2HB      PHE   1   4.798   4.706   3.075
    4    HB3  PHE   1           1HB      PHE   1   6.416   5.167   2.579
    5    HD1  PHE   1           2HD      PHE   1   8.346   3.744   3.736
    6    HD2  PHE   1           1HD      PHE   1   4.304   2.567   3.284
    7    HE1  PHE   1           2HE      PHE   1   9.034   1.389   3.967
    8    HE2  PHE   1           1HE      PHE   1   4.964   0.179   3.533
    9    HZ   PHE   1           HZ       PHE   1   7.338  -0.399   3.867
   10    H    CYS   2           H        CYS   2   3.507   5.632   4.261
   11    HA   CYS   2           HA       CYS   2   2.819   7.886   3.018
   12    HB2  CYS   2           2HB      CYS   2   1.334   6.741   5.369
   13    HB3  CYS   2           1HB      CYS   2   0.655   7.656   4.027
   14    H    GLU   3           H        GLU   3   3.490   7.644   6.441
   15    HA   GLU   3           HA       GLU   3   2.536   9.915   7.574
   16    HB2  GLU   3           2HB      GLU   3   5.323   8.972   8.219
   17    HB3  GLU   3           1HB      GLU   3   4.149   9.694   9.296
   18    HG2  GLU   3           2HG      GLU   3   4.308   7.436   9.910
   19    HG3  GLU   3           1HG      GLU   3   2.792   7.570   9.005
   20    H    ARG   4           H        ARG   4   5.892   9.724   6.375
   21    HA   ARG   4           HA       ARG   4   5.924  12.528   6.529
   22    HB2  ARG   4           2HB      ARG   4   8.241  12.472   6.433
   23    HB3  ARG   4           1HB      ARG   4   7.959  10.803   6.870
   24    HG2  ARG   4           2HG      ARG   4   9.573  10.665   5.186
   25    HG3  ARG   4           1HG      ARG   4   8.074  10.341   4.320
   26    HD2  ARG   4           2HD      ARG   4   8.246  13.071   4.096
   27    HD3  ARG   4           1HD      ARG   4   9.952  12.614   4.061
   28    HE   ARG   4           HE       ARG   4   8.986  10.896   2.333
   29   HH11  ARG   4          1HH1      ARG   4   8.117  14.352   2.539
   30   HH12  ARG   4          2HH1      ARG   4   7.672  14.433   0.883
   31   HH21  ARG   4          1HH2      ARG   4   8.315  11.073   0.168
   32   HH22  ARG   4          2HH2      ARG   4   7.758  12.506  -0.530
   33    H    GLU   5           H        GLU   5   5.513  10.117   4.087
   34    HA   GLU   5           HA       GLU   5   6.287  11.536   1.816
   35    HB2  GLU   5           2HB      GLU   5   4.242   9.333   1.996
   36    HB3  GLU   5           1HB      GLU   5   4.988   9.906   0.518
   37    HG2  GLU   5           2HG      GLU   5   6.355   8.487   2.804
   38    HG3  GLU   5           1HG      GLU   5   5.980   7.818   1.224
   39    H    GLN   6           H        GLN   6   2.983  11.179   3.197
   40    HA   GLN   6           HA       GLN   6   2.123  13.398   1.432
   41    HB2  GLN   6           2HB      GLN   6   0.594  10.910   2.149
   42    HB3  GLN   6           1HB      GLN   6   0.014  12.228   1.149
   43    HG2  GLN   6           2HG      GLN   6   2.363  10.511   0.483
   44    HG3  GLN   6           1HG      GLN   6   0.676  10.170  -0.002
   45   HE21  GLN   6          1HE2      GLN   6   3.411  12.394  -0.430
   46   HE22  GLN   6          2HE2      GLN   6   2.868  13.070  -1.883
   47    H    GLN   7           H        GLN   7   2.732  12.431   4.487
   48    HA   GLN   7           HA       GLN   7   2.082  12.698   6.423
   49    HB2  GLN   7           2HB      GLN   7   0.339  14.923   5.328
   50    HB3  GLN   7           1HB      GLN   7   0.599  14.675   7.049
   51    HG2  GLN   7           2HG      GLN   7   2.911  14.936   5.234
   52    HG3  GLN   7           1HG      GLN   7   2.052  16.410   5.707
   53   HE21  GLN   7          1HE2      GLN   7   2.606  13.587   7.804
   54   HE22  GLN   7          2HE2      GLN   7   3.667  14.424   8.881
   55    H    LEU   8           H        LEU   8   0.747  10.935   4.730
   56    HA   LEU   8           HA       LEU   8  -2.031  10.608   5.602
   57    HB2  LEU   8           2HB      LEU   8  -0.351   9.735   3.361
   58    HB3  LEU   8           1HB      LEU   8  -1.431   8.545   4.037
   59    HG   LEU   8           HG       LEU   8  -3.343   9.741   3.474
   60   HD11  LEU   8          1HD1      LEU   8  -1.596  12.107   2.872
   61   HD12  LEU   8          2HD1      LEU   8  -2.696  11.862   4.241
   62   HD13  LEU   8          3HD1      LEU   8  -3.353  12.012   2.604
   63   HD21  LEU   8          3HD2      LEU   8  -3.086  10.166   1.050
   64   HD22  LEU   8          1HD2      LEU   8  -2.391   8.650   1.618
   65   HD23  LEU   8          2HD2      LEU   8  -1.327  10.006   1.240
   66    H    GLU   9           H        GLU   9  -2.641   8.642   5.974
   67    HA   GLU   9           HA       GLU   9  -1.008   7.214   7.989
   68    HB2  GLU   9           2HB      GLU   9  -3.454   7.981   8.342
   69    HB3  GLU   9           1HB      GLU   9  -3.806   6.753   7.127
   70    HG2  GLU   9           2HG      GLU   9  -3.005   5.017   8.599
   71    HG3  GLU   9           1HG      GLU   9  -2.661   6.230   9.843
   72    H    SER  10           H        SER  10  -0.913   4.785   7.661
   73    HA   SER  10           HA       SER  10  -0.733   4.079   4.908
   74    HB2  SER  10           2HB      SER  10   0.358   2.192   5.855
   75    HB3  SER  10           1HB      SER  10   0.825   3.783   6.607
   76    HG   SER  10           HG       SER  10  -1.221   2.569   7.909
   77    H    CYS  11           H        CYS  11  -1.816   2.075   4.136
   78    HA   CYS  11           HA       CYS  11  -3.782   0.845   5.796
   79    HB2  CYS  11           2HB      CYS  11  -5.812   1.613   4.778
   80    HB3  CYS  11           1HB      CYS  11  -4.851   3.070   4.786
   81    H    ALA  12           H        ALA  12  -5.178  -0.658   4.059
   82    HA   ALA  12           HA       ALA  12  -3.268  -1.642   2.089
   83    HB1  ALA  12           1HB      ALA  12  -4.960  -3.279   3.982
   84    HB2  ALA  12           2HB      ALA  12  -3.202  -3.141   4.023
   85    HB3  ALA  12           3HB      ALA  12  -3.993  -3.940   2.663
   86    H    CYS  13           H        CYS  13  -4.202  -1.803   0.104
   87    HA   CYS  13           HA       CYS  13  -6.860  -0.970  -0.247
   88    HB2  CYS  13           2HB      CYS  13  -4.862  -2.196  -2.166
   89    HB3  CYS  13           1HB      CYS  13  -6.373  -1.450  -2.627
   90    H    ASN  14           H        ASN  14  -8.677  -1.983  -0.516
   91    HA   ASN  14           HA       ASN  14  -9.094  -4.574   0.485
   92    HB2  ASN  14           2HB      ASN  14 -10.731  -2.658   0.471
   93    HB3  ASN  14           1HB      ASN  14 -10.935  -2.965  -1.252
   94   HD21  ASN  14          1HD2      ASN  14 -13.147  -3.452  -1.056
   95   HD22  ASN  14          2HD2      ASN  14 -13.677  -4.918  -0.297
   96    H    GLU  15           H        GLU  15  -8.352  -3.482  -2.634
   97    HA   GLU  15           HA       GLU  15  -9.451  -5.591  -4.018
   98    HB2  GLU  15           2HB      GLU  15  -9.036  -3.287  -4.939
   99    HB3  GLU  15           1HB      GLU  15  -7.318  -3.641  -4.891
  100    HG2  GLU  15           2HG      GLU  15  -9.248  -5.212  -6.571
  101    HG3  GLU  15           1HG      GLU  15  -8.417  -3.765  -7.145
  102    H    THR  16           H        THR  16  -8.136  -7.452  -4.926
  103    HA   THR  16           HA       THR  16  -6.341  -8.627  -3.098
  104    HB   THR  16           HB       THR  16  -6.845  -9.346  -5.988
  105    HG1  THR  16           1HG      THR  16  -8.680  -9.891  -5.145
  106   HG21  THR  16          3HG2      THR  16  -5.661 -11.171  -3.808
  107   HG22  THR  16          1HG2      THR  16  -4.708 -10.243  -4.996
  108   HG23  THR  16          2HG2      THR  16  -5.836 -11.488  -5.521
  109    H    ASP  17           H        ASP  17  -5.679  -7.190  -6.286
  110    HA   ASP  17           HA       ASP  17  -3.017  -8.002  -6.157
  111    HB2  ASP  17           2HB      ASP  17  -4.185  -7.528  -8.279
  112    HB3  ASP  17           1HB      ASP  17  -4.260  -5.834  -7.768
  113    H    ASN  18           H        ASN  18  -4.770  -5.051  -5.457
  114    HA   ASN  18           HA       ASN  18  -2.404  -3.599  -4.909
  115    HB2  ASN  18           2HB      ASN  18  -5.298  -2.851  -4.820
  116    HB3  ASN  18           1HB      ASN  18  -4.047  -1.774  -4.219
  117   HD21  ASN  18          1HD2      ASN  18  -5.231  -3.462  -7.089
  118   HD22  ASN  18          2HD2      ASN  18  -4.469  -2.418  -8.223
  119    H    SER  19           H        SER  19  -4.053  -5.779  -3.155
  120    HA   SER  19           HA       SER  19  -4.069  -4.464  -0.644
  121    HB2  SER  19           2HB      SER  19  -4.359  -6.653   0.407
  122    HB3  SER  19           1HB      SER  19  -5.377  -6.525  -1.026
  123    HG   SER  19           HG       SER  19  -3.883  -7.804  -2.147
  124    H    CYS  20           H        CYS  20  -1.491  -5.674  -2.472
  125    HA   CYS  20           HA       CYS  20   0.152  -5.017  -0.236
  126    HB2  CYS  20           2HB      CYS  20   0.488  -7.433  -1.838
  127    HB3  CYS  20           1HB      CYS  20   1.886  -6.660  -1.070
  128    H    LYS  21           H        LYS  21  -0.435  -3.233  -1.879
  129    HA   LYS  21           HA       LYS  21   2.329  -2.243  -2.361
  130    HB2  LYS  21           2HB      LYS  21  -0.331  -1.444  -3.474
  131    HB3  LYS  21           1HB      LYS  21   1.211  -0.650  -3.800
  132    HG2  LYS  21           2HG      LYS  21   1.885  -2.314  -5.254
  133    HG3  LYS  21           1HG      LYS  21   0.762  -3.501  -4.567
  134    HD2  LYS  21           2HD      LYS  21  -1.054  -2.268  -5.323
  135    HD3  LYS  21           1HD      LYS  21  -0.032  -1.030  -6.060
  136    HE2  LYS  21           2HE      LYS  21  -0.842  -2.631  -7.767
  137    HE3  LYS  21           1HE      LYS  21   0.909  -2.711  -7.592
  138    HZ1  LYS  21           3HZ      LYS  21  -0.592  -4.783  -7.678
  139    HZ2  LYS  21           1HZ      LYS  21  -0.812  -4.576  -6.074
  140    HZ3  LYS  21           2HZ      LYS  21   0.759  -4.875  -6.682
  141    H    VAL  22           H        VAL  22   2.484  -0.210  -1.939
  142    HA   VAL  22           HA       VAL  22   1.561  -0.011   0.716
  143    HB   VAL  22           HB       VAL  22   3.297   1.775  -0.927
  144   HG11  VAL  22          1HG1      VAL  22   2.500   1.782   1.963
  145   HG12  VAL  22          2HG1      VAL  22   2.234   3.022   0.730
  146   HG13  VAL  22          3HG1      VAL  22   3.887   2.714   1.354
  147   HG21  VAL  22          3HG2      VAL  22   3.993  -0.236   1.242
  148   HG22  VAL  22          1HG2      VAL  22   5.132   0.646   0.231
  149   HG23  VAL  22          2HG2      VAL  22   4.063  -0.637  -0.445
  150    H    CYS  23           H        CYS  23  -0.315   0.422   0.785
  151    HA   CYS  23           HA       CYS  23  -1.436   2.728  -0.650
  152    HB2  CYS  23           2HB      CYS  23  -2.974   0.885   1.162
  153    HB3  CYS  23           1HB      CYS  23  -3.549   2.062  -0.031
  154    H    CYS  24           H        CYS  24  -2.667   4.305   0.526
  155    HA   CYS  24           HA       CYS  24  -1.800   4.676   3.246
  156    HB2  CYS  24           2HB      CYS  24  -1.800   6.718   1.015
  157    HB3  CYS  24           1HB      CYS  24  -1.482   7.058   2.712
  158    H    ARG  25           H        ARG  25  -3.274   6.425   4.177
  159    HA   ARG  25           HA       ARG  25  -5.941   5.793   3.182
  160    HB2  ARG  25           2HB      ARG  25  -4.951   4.843   5.460
  161    HB3  ARG  25           1HB      ARG  25  -5.273   6.479   5.978
  162    HG2  ARG  25           2HG      ARG  25  -7.456   5.172   4.624
  163    HG3  ARG  25           1HG      ARG  25  -7.029   4.505   6.208
  164    HD2  ARG  25           2HD      ARG  25  -7.672   7.406   5.552
  165    HD3  ARG  25           1HD      ARG  25  -8.764   6.284   6.370
  166    HE   ARG  25           HE       ARG  25  -6.603   6.232   7.962
  167   HH11  ARG  25          1HH1      ARG  25  -8.294   9.015   6.576
  168   HH12  ARG  25          2HH1      ARG  25  -8.130  10.004   7.952
  169   HH21  ARG  25          1HH2      ARG  25  -6.273   7.551   9.799
  170   HH22  ARG  25          2HH2      ARG  25  -6.884   9.128   9.901
  171    H    ASP  26           H        ASP  26  -7.106   7.533   2.670
  172    HA   ASP  26           HA       ASP  26  -5.770  10.074   2.942
  173    HB2  ASP  26           2HB      ASP  26  -6.843  10.715   0.998
  174    HB3  ASP  26           1HB      ASP  26  -6.775   8.978   0.728
  175    H    LEU  27           H        LEU  27  -7.660  11.640   2.743
  176    HA   LEU  27           HA       LEU  27  -8.400  12.282   5.319
  177    HB2  LEU  27           2HB      LEU  27  -9.693  13.335   2.857
  178    HB3  LEU  27           1HB      LEU  27  -9.489  14.154   4.386
  179    HG   LEU  27           HG       LEU  27  -7.098  13.352   2.776
  180   HD11  LEU  27          1HD1      LEU  27  -8.742  15.842   2.480
  181   HD12  LEU  27          2HD1      LEU  27  -8.693  14.446   1.404
  182   HD13  LEU  27          3HD1      LEU  27  -7.230  15.439   1.612
  183   HD21  LEU  27          3HD2      LEU  27  -7.677  15.589   4.720
  184   HD22  LEU  27          1HD2      LEU  27  -6.125  15.265   3.935
  185   HD23  LEU  27          2HD2      LEU  27  -6.798  14.102   5.083
  186    H    SER  28           H        SER  28 -10.203  11.186   2.521
  187    HA   SER  28           HA       SER  28 -12.776  11.300   3.604
  188    HB2  SER  28           2HB      SER  28 -11.654   9.762   1.306
  189    HB3  SER  28           1HB      SER  28 -13.352  10.283   1.469
  190    HG   SER  28           HG       SER  28 -11.033  11.607   0.776
  191    H    GLY  29           H        GLY  29 -10.161   9.322   3.952
  192    HA2  GLY  29           2HA      GLY  29  -9.768   7.580   5.022
  193    HA3  GLY  29           1HA      GLY  29 -11.475   7.383   5.491
  194    H    ARG  30           H        ARG  30 -10.005   7.464   2.259
  195    HA   ARG  30           HA       ARG  30 -10.928   4.737   1.759
  196    HB2  ARG  30           2HB      ARG  30 -10.470   7.143   0.025
  197    HB3  ARG  30           1HB      ARG  30 -10.168   5.571  -0.668
  198    HG2  ARG  30           2HG      ARG  30 -12.361   6.361  -1.307
  199    HG3  ARG  30           1HG      ARG  30 -12.519   4.955  -0.275
  200    HD2  ARG  30           2HD      ARG  30 -12.822   7.792   0.714
  201    HD3  ARG  30           1HD      ARG  30 -14.167   6.833   0.107
  202    HE   ARG  30           HE       ARG  30 -12.547   5.800   2.300
  203   HH11  ARG  30          1HH1      ARG  30 -15.659   7.106   1.252
  204   HH12  ARG  30          2HH1      ARG  30 -16.479   6.727   2.696
  205   HH21  ARG  30          1HH2      ARG  30 -13.601   5.283   4.241
  206   HH22  ARG  30          2HH2      ARG  30 -15.253   5.634   4.496
  207    H    CYS  31           H        CYS  31  -9.384   3.646   0.133
  208    HA   CYS  31           HA       CYS  31  -6.690   3.995   1.141
  209    HB2  CYS  31           2HB      CYS  31  -8.200   1.602   0.246
  210    HB3  CYS  31           1HB      CYS  31  -6.455   1.641  -0.007
  211    H    VAL  32           H        VAL  32  -5.288   4.843  -0.063
  212    HA   VAL  32           HA       VAL  32  -5.668   4.623  -2.830
  213    HB   VAL  32           HB       VAL  32  -4.236   6.851  -2.886
  214   HG11  VAL  32          1HG1      VAL  32  -6.383   6.491  -3.829
  215   HG12  VAL  32          2HG1      VAL  32  -6.345   8.086  -3.042
  216   HG13  VAL  32          3HG1      VAL  32  -7.189   6.725  -2.273
  217   HG21  VAL  32          3HG2      VAL  32  -4.607   8.332  -1.050
  218   HG22  VAL  32          1HG2      VAL  32  -4.040   6.818  -0.360
  219   HG23  VAL  32          2HG2      VAL  32  -5.761   7.264  -0.277
  220    HA   PRO  33           HA       PRO  33  -1.642   2.726  -2.705
  221    HB2  PRO  33           2HB      PRO  33  -1.002   3.122  -5.360
  222    HB3  PRO  33           1HB      PRO  33  -2.088   1.824  -4.820
  223    HG2  PRO  33           2HG      PRO  33  -2.776   4.468  -5.989
  224    HG3  PRO  33           1HG      PRO  33  -3.524   2.882  -6.265
  225    HD2  PRO  33           2HD      PRO  33  -4.671   4.722  -4.627
  226    HD3  PRO  33           1HD      PRO  33  -4.770   2.975  -4.327
  227    H    TYR  34           H        TYR  34   0.249   3.738  -1.956
  228    HA   TYR  34           HA       TYR  34   0.391   6.513  -2.172
  229    HB2  TYR  34           2HB      TYR  34   1.396   6.035  -0.326
  230    HB3  TYR  34           1HB      TYR  34   1.914   4.423  -0.826
  231    HD1  TYR  34           1HD      TYR  34   2.886   8.175  -1.469
  232    HD2  TYR  34           2HD      TYR  34   4.198   4.079  -0.931
  233    HE1  TYR  34           1HE      TYR  34   4.997   8.842  -1.553
  234    HE2  TYR  34           2HE      TYR  34   6.473   4.909  -1.034
  235    HH   TYR  34           HH       TYR  34   7.287   8.079  -0.742
  236    H    VAL  35           H        VAL  35   1.235   7.876  -3.467
  237    HA   VAL  35           HA       VAL  35   3.587   7.271  -4.893
  238    HB   VAL  35           HB       VAL  35   1.983   9.115  -6.234
  239   HG11  VAL  35          1HG1      VAL  35   3.833   8.159  -7.185
  240   HG12  VAL  35          2HG1      VAL  35   2.458   7.865  -8.248
  241   HG13  VAL  35          3HG1      VAL  35   3.103   6.551  -7.243
  242   HG21  VAL  35          3HG2      VAL  35  -0.010   7.923  -5.531
  243   HG22  VAL  35          1HG2      VAL  35   0.606   6.425  -6.218
  244   HG23  VAL  35          2HG2      VAL  35   0.182   7.772  -7.285
  245    H    ASP  36           H        ASP  36   4.752   9.161  -4.857
  246    HA   ASP  36           HA       ASP  36   3.421  11.582  -3.756
  247    HB2  ASP  36           2HB      ASP  36   5.016  10.471  -2.197
  248    HB3  ASP  36           1HB      ASP  36   6.272  10.546  -3.457
  249    H    ALA  37           H        ALA  37   4.906  13.154  -4.207
  250    HA   ALA  37           HA       ALA  37   3.419  13.836  -6.262
  251    HB1  ALA  37           1HB      ALA  37   4.243  15.009  -4.530
  252    HB2  ALA  37           2HB      ALA  37   4.434  15.963  -6.059
  253    HB3  ALA  37           3HB      ALA  37   5.838  15.132  -5.268
  254    H    GLU  38           H        GLU  38   6.626  12.427  -6.379
  255    HA   GLU  38           HA       GLU  38   7.241  13.376  -8.881
  256    HB2  GLU  38           2HB      GLU  38   9.357  12.555  -8.374
  257    HB3  GLU  38           1HB      GLU  38   8.435  13.099  -6.923
  258    HG2  GLU  38           2HG      GLU  38   8.254  10.332  -7.504
  259    HG3  GLU  38           1HG      GLU  38   9.849  10.809  -6.828
  260    H    GLN  39           H        GLN  39   5.312  11.046  -7.649
  261    HA   GLN  39           HA       GLN  39   4.171   9.486  -8.341
  262    HB2  GLN  39           2HB      GLN  39   5.720  10.076 -10.635
  263    HB3  GLN  39           1HB      GLN  39   4.558   8.697 -10.801
  264    HG2  GLN  39           2HG      GLN  39   2.818  10.352 -10.076
  265    HG3  GLN  39           1HG      GLN  39   4.077  11.581 -10.052
  266   HE21  GLN  39          1HE2      GLN  39   3.021  12.841 -11.588
  267   HE22  GLN  39          2HE2      GLN  39   2.911  12.382 -13.261
  268    H    LYS  40           H        LYS  40   6.532   9.066  -6.794
  269    HA   LYS  40           HA       LYS  40   7.516   6.501  -7.684
  270    HB2  LYS  40           2HB      LYS  40   9.065   6.645  -6.202
  271    HB3  LYS  40           1HB      LYS  40   8.546   8.396  -6.040
  272    HG2  LYS  40           2HG      LYS  40   7.246   7.708  -4.051
  273    HG3  LYS  40           1HG      LYS  40   7.818   6.058  -4.246
  274    HD2  LYS  40           2HD      LYS  40   9.135   7.017  -2.512
  275    HD3  LYS  40           1HD      LYS  40  10.172   6.966  -3.935
  276    HE2  LYS  40           2HE      LYS  40  10.414   9.084  -2.743
  277    HE3  LYS  40           1HE      LYS  40   9.723   9.342  -4.341
  278    HZ1  LYS  40           3HZ      LYS  40   7.510   9.382  -3.227
  279    HZ2  LYS  40           1HZ      LYS  40   8.500  10.676  -2.900
  280    HZ3  LYS  40           2HZ      LYS  40   8.268   9.481  -1.715
  281    H    ASN  41           H        ASN  41   7.074   4.610  -6.718
  282    HA   ASN  41           HA       ASN  41   4.652   4.587  -5.087
  283    HB2  ASN  41           2HB      ASN  41   4.407   4.173  -7.582
  284    HB3  ASN  41           1HB      ASN  41   5.414   2.768  -7.246
  285   HD21  ASN  41          1HD2      ASN  41   2.276   4.182  -6.529
  286   HD22  ASN  41          2HD2      ASN  41   1.473   2.701  -6.160
  287    H    LEU  42           H        LEU  42   4.490   2.025  -4.502
  288    HA   LEU  42           HA       LEU  42   7.065   0.831  -3.904
  289    HB2  LEU  42           2HB      LEU  42   5.204   1.695  -1.739
  290    HB3  LEU  42           1HB      LEU  42   6.457   0.506  -1.532
  291    HG   LEU  42           HG       LEU  42   6.845   3.410  -2.140
  292   HD11  LEU  42          1HD1      LEU  42   7.579   3.457   0.247
  293   HD12  LEU  42          2HD1      LEU  42   7.189   1.728   0.353
  294   HD13  LEU  42          3HD1      LEU  42   5.909   2.883   0.075
  295   HD21  LEU  42          3HD2      LEU  42   8.841   1.233  -1.459
  296   HD22  LEU  42          1HD2      LEU  42   9.213   2.949  -1.626
  297   HD23  LEU  42          2HD2      LEU  42   8.674   2.027  -3.027
  298    H    PHE  43           H        PHE  43   6.832  -1.290  -4.154
  299    HA   PHE  43           HA       PHE  43   4.466  -2.640  -3.991
  300    HB2  PHE  43           2HB      PHE  43   5.986  -4.545  -4.423
  301    HB3  PHE  43           1HB      PHE  43   6.399  -3.080  -5.339
  302    HD1  PHE  43           1HD      PHE  43   7.519  -5.156  -2.481
  303    HD2  PHE  43           2HD      PHE  43   8.467  -2.009  -5.189
  304    HE1  PHE  43           1HE      PHE  43   9.853  -5.197  -1.711
  305    HE2  PHE  43           2HE      PHE  43  10.802  -2.050  -4.422
  306    HZ   PHE  43           HZ       PHE  43  11.496  -3.643  -2.681
  307    H    LEU  44           H        LEU  44   3.954  -4.149  -2.092
  308    HA   LEU  44           HA       LEU  44   5.204  -3.238   0.171
  309    HB2  LEU  44           2HB      LEU  44   2.651  -3.557  -0.037
  310    HB3  LEU  44           1HB      LEU  44   3.042  -5.267   0.091
  311    HG   LEU  44           HG       LEU  44   3.765  -5.058   2.357
  312   HD11  LEU  44          1HD1      LEU  44   3.271  -2.097   2.066
  313   HD12  LEU  44          2HD1      LEU  44   4.851  -2.870   2.231
  314   HD13  LEU  44          3HD1      LEU  44   3.693  -2.934   3.557
  315   HD21  LEU  44          3HD2      LEU  44   1.374  -5.300   1.976
  316   HD22  LEU  44          1HD2      LEU  44   1.200  -3.547   1.905
  317   HD23  LEU  44          2HD2      LEU  44   1.690  -4.323   3.410
  318    H    ARG  45           H        ARG  45   5.267  -5.466   1.755
  319    HA   ARG  45           HA       ARG  45   7.198  -7.145   0.514
  320    HB2  ARG  45           2HB      ARG  45   6.170  -6.707   3.190
  321    HB3  ARG  45           1HB      ARG  45   7.283  -8.092   2.916
  322    HG2  ARG  45           2HG      ARG  45   8.924  -6.375   2.067
  323    HG3  ARG  45           1HG      ARG  45   7.784  -5.117   2.549
  324    HD2  ARG  45           2HD      ARG  45   7.928  -5.898   4.874
  325    HD3  ARG  45           1HD      ARG  45   9.079  -7.139   4.381
  326    HE   ARG  45           HE       ARG  45   9.935  -4.571   3.583
  327   HH11  ARG  45          1HH1      ARG  45   9.755  -6.666   6.437
  328   HH12  ARG  45          2HH1      ARG  45  11.043  -5.943   7.271
  329   HH21  ARG  45          1HH2      ARG  45  11.755  -3.530   4.735
  330   HH22  ARG  45          2HH2      ARG  45  12.219  -4.095   6.264
  331    H    LYS  46           H        LYS  46   7.078  -9.582   1.003
  332    HA   LYS  46           HA       LYS  46   4.387 -10.412   0.321
  333    HB2  LYS  46           2HB      LYS  46   5.259 -12.552  -0.443
  334    HB3  LYS  46           1HB      LYS  46   6.137 -11.242  -1.202
  335    HG2  LYS  46           2HG      LYS  46   7.689 -12.966  -0.793
  336    HG3  LYS  46           1HG      LYS  46   8.001 -11.766   0.452
  337    HD2  LYS  46           2HD      LYS  46   8.048 -14.183   1.220
  338    HD3  LYS  46           1HD      LYS  46   6.981 -13.127   2.135
  339    HE2  LYS  46           2HE      LYS  46   5.972 -15.345   1.686
  340    HE3  LYS  46           1HE      LYS  46   5.030 -14.040   0.998
  341    HZ1  LYS  46           3HZ      LYS  46   6.687 -16.057  -0.464
  342    HZ2  LYS  46           1HZ      LYS  46   6.098 -14.640  -1.210
  343    HZ3  LYS  46           2HZ      LYS  46   5.054 -15.714  -0.555
  344    H    GLY  47           H        GLY  47   3.492 -12.405   1.182
  345    HA2  GLY  47           2HA      GLY  47   2.972 -13.805   2.916
  346    HA3  GLY  47           1HA      GLY  47   4.363 -13.195   3.819
  347    H    LYS  48           H        LYS  48   2.540 -10.717   2.551
  348    HA   LYS  48           HA       LYS  48   1.564 -10.036   5.198
  349    HB2  LYS  48           2HB      LYS  48   2.570  -8.596   3.222
  350    HB3  LYS  48           1HB      LYS  48   0.904  -8.518   2.714
  351    HG2  LYS  48           2HG      LYS  48   1.866  -7.627   5.446
  352    HG3  LYS  48           1HG      LYS  48   1.643  -6.549   4.087
  353    HD2  LYS  48           2HD      LYS  48  -0.643  -8.217   5.124
  354    HD3  LYS  48           1HD      LYS  48  -0.198  -6.722   5.933
  355    HE2  LYS  48           2HE      LYS  48  -1.940  -6.108   4.471
  356    HE3  LYS  48           1HE      LYS  48  -0.482  -5.606   3.634
  357    HZ1  LYS  48           3HZ      LYS  48  -1.967  -6.641   2.096
  358    HZ2  LYS  48           1HZ      LYS  48  -2.128  -8.015   3.072
  359    HZ3  LYS  48           2HZ      LYS  48  -0.672  -7.667   2.279
  360    HA   PRO  49           HA       PRO  49  -2.346 -12.240   4.430
  361    HB2  PRO  49           2HB      PRO  49  -3.231 -10.125   6.363
  362    HB3  PRO  49           1HB      PRO  49  -3.574 -11.870   6.385
  363    HG2  PRO  49           2HG      PRO  49  -1.792 -10.895   8.038
  364    HG3  PRO  49           1HG      PRO  49  -1.500 -12.434   7.201
  365    HD2  PRO  49           2HD      PRO  49  -0.272  -9.775   6.702
  366    HD3  PRO  49           1HD      PRO  49   0.416 -11.400   6.513
  367    H    CYS  50           H        CYS  50  -3.571 -11.823   2.710
  368    HA   CYS  50           HA       CYS  50  -4.162  -9.069   2.136
  369    HB2  CYS  50           2HB      CYS  50  -4.018  -9.517  -0.219
  370    HB3  CYS  50           1HB      CYS  50  -2.557 -10.095   0.548
  371    H    THR  51           H        THR  51  -5.896  -9.735  -0.026
  372    HA   THR  51           HA       THR  51  -8.357  -9.849   1.201
  373    HB   THR  51           HB       THR  51  -9.051 -10.080  -1.236
  374    HG1  THR  51           1HG      THR  51  -7.489 -10.317  -2.727
  375   HG21  THR  51          3HG2      THR  51  -6.802  -8.170  -0.720
  376   HG22  THR  51          1HG2      THR  51  -8.454  -7.874  -0.152
  377   HG23  THR  51          2HG2      THR  51  -8.084  -7.956  -1.891
  378    H    VAL  52           H        VAL  52  -6.592 -12.096  -0.722
  379    HA   VAL  52           HA       VAL  52  -8.533 -14.219  -0.152
  380    HB   VAL  52           HB       VAL  52  -7.766 -15.267  -2.225
  381   HG11  VAL  52          1HG1      VAL  52  -8.665 -13.486  -3.759
  382   HG12  VAL  52          2HG1      VAL  52  -8.619 -12.362  -2.384
  383   HG13  VAL  52          3HG1      VAL  52  -9.655 -13.781  -2.331
  384   HG21  VAL  52          3HG2      VAL  52  -6.188 -14.258  -3.694
  385   HG22  VAL  52          1HG2      VAL  52  -5.429 -14.280  -2.124
  386   HG23  VAL  52          2HG2      VAL  52  -6.097 -12.770  -2.792
  387    H    GLY  53           H        GLY  53  -5.553 -13.415   1.028
  388    HA2  GLY  53           2HA      GLY  53  -5.050 -15.643   2.377
  389    HA3  GLY  53           1HA      GLY  53  -4.251 -15.934   0.820
  390    H    PHE  54           H        PHE  54  -2.231 -15.287   0.701
  391    HA   PHE  54           HA       PHE  54  -1.324 -13.024   2.394
  392    HB2  PHE  54           2HB      PHE  54   0.250 -15.470   1.532
  393    HB3  PHE  54           1HB      PHE  54   0.946 -14.095   2.385
  394    HD1  PHE  54           2HD      PHE  54   0.187 -13.616   4.719
  395    HD2  PHE  54           1HD      PHE  54  -0.858 -17.196   2.673
  396    HE1  PHE  54           2HE      PHE  54  -0.383 -14.670   6.865
  397    HE2  PHE  54           1HE      PHE  54  -1.434 -18.258   4.817
  398    HZ   PHE  54           HZ       PHE  54  -1.196 -16.994   6.917
  399    H    CYS  55           H        CYS  55   0.534 -11.821   1.328
  400    HA   CYS  55           HA       CYS  55  -0.066 -11.689  -1.573
  401    HB2  CYS  55           2HB      CYS  55   1.581  -9.799  -0.002
  402    HB3  CYS  55           1HB      CYS  55   0.897  -9.573  -1.595
  403    H    ASP  56           H        ASP  56   1.676 -11.158  -2.977
  404    HA   ASP  56           HA       ASP  56   4.266 -11.860  -1.927
  405    HB2  ASP  56           2HB      ASP  56   4.963 -12.635  -4.058
  406    HB3  ASP  56           1HB      ASP  56   3.239 -12.944  -4.192
  407    H    MET  57           H        MET  57   5.839 -10.343  -3.768
  408    HA   MET  57           HA       MET  57   5.629  -7.733  -2.579
  409    HB2  MET  57           2HB      MET  57   7.468  -8.884  -4.679
  410    HB3  MET  57           1HB      MET  57   7.622  -7.257  -4.027
  411    HG2  MET  57           2HG      MET  57   8.160  -8.058  -1.879
  412    HG3  MET  57           1HG      MET  57   7.638  -9.690  -2.276
  413    HE1  MET  57           3HE      MET  57  11.459  -7.793  -4.082
  414    HE2  MET  57           1HE      MET  57  10.368  -6.912  -3.013
  415    HE3  MET  57           2HE      MET  57   9.833  -7.383  -4.626
  416    H    ASN  58           H        ASN  58   4.783  -9.181  -5.645
  417    HA   ASN  58           HA       ASN  58   4.401  -6.703  -7.057
  418    HB2  ASN  58           2HB      ASN  58   3.530  -9.530  -7.681
  419    HB3  ASN  58           1HB      ASN  58   3.269  -8.168  -8.760
  420   HD21  ASN  58          1HD2      ASN  58   5.608 -10.326  -7.363
  421   HD22  ASN  58          2HD2      ASN  58   6.883  -9.944  -8.473
  422    H    GLY  59           H        GLY  59   2.475  -8.823  -5.131
  423    HA2  GLY  59           2HA      GLY  59   0.596  -7.778  -3.991
  424    HA3  GLY  59           1HA      GLY  59   0.169  -7.031  -5.532
  425    H    LYS  60           H        LYS  60   1.337 -10.222  -5.803
  426    HA   LYS  60           HA       LYS  60  -1.344 -11.338  -6.363
  427    HB2  LYS  60           2HB      LYS  60   1.496 -12.375  -6.566
  428    HB3  LYS  60           1HB      LYS  60   0.122 -13.450  -6.568
  429    HG2  LYS  60           2HG      LYS  60   0.905 -13.167  -8.810
  430    HG3  LYS  60           1HG      LYS  60  -0.666 -12.401  -8.615
  431    HD2  LYS  60           2HD      LYS  60   1.833 -10.755  -8.367
  432    HD3  LYS  60           1HD      LYS  60   1.240 -11.187  -9.969
  433    HE2  LYS  60           2HE      LYS  60  -0.890 -10.144  -9.480
  434    HE3  LYS  60           1HE      LYS  60  -0.363  -9.796  -7.838
  435    HZ1  LYS  60           3HZ      LYS  60   0.785  -8.628 -10.323
  436    HZ2  LYS  60           1HZ      LYS  60   1.296  -8.287  -8.718
  437    HZ3  LYS  60           2HZ      LYS  60  -0.279  -7.931  -9.215
  438    H    CYS  61           H        CYS  61  -1.745 -13.360  -5.463
  439    HA   CYS  61           HA       CYS  61  -1.042 -13.154  -2.707
  440    HB2  CYS  61           2HB      CYS  61  -3.582 -12.995  -4.044
  441    HB3  CYS  61           1HB      CYS  61  -3.590 -13.895  -2.473
  442    H    GLU  62           H        GLU  62  -1.156 -14.951  -1.543
  443    HA   GLU  62           HA       GLU  62  -0.634 -17.390  -2.994
  444    HB2  GLU  62           2HB      GLU  62   0.516 -16.439  -0.333
  445    HB3  GLU  62           1HB      GLU  62   0.985 -17.889  -1.202
  446    HG2  GLU  62           2HG      GLU  62   1.975 -16.527  -2.979
  447    HG3  GLU  62           1HG      GLU  62   1.441 -15.060  -2.172
  Start of MODEL   20
    1    H    PHE   1           1HT      PHE   1   4.869   3.427   6.706
    2    HA   PHE   1           HA       PHE   1   4.690   3.956   3.857
    3    HB2  PHE   1           2HB      PHE   1   3.323   1.703   5.305
    4    HB3  PHE   1           1HB      PHE   1   2.754   2.424   3.785
    5    HD1  PHE   1           1HD      PHE   1   4.342   2.551   1.868
    6    HD2  PHE   1           2HD      PHE   1   4.966   0.014   5.220
    7    HE1  PHE   1           1HE      PHE   1   5.924   1.176   0.536
    8    HE2  PHE   1           2HE      PHE   1   6.531  -1.362   3.913
    9    HZ   PHE   1           HZ       PHE   1   7.014  -0.781   1.566
   10    H    CYS   2           H        CYS   2   3.588   5.363   3.423
   11    HA   CYS   2           HA       CYS   2   2.419   7.307   3.422
   12    HB2  CYS   2           2HB      CYS   2   0.494   5.770   5.125
   13    HB3  CYS   2           1HB      CYS   2   0.117   7.127   4.059
   14    H    GLU   3           H        GLU   3   3.036   6.059   6.511
   15    HA   GLU   3           HA       GLU   3   2.012   7.809   8.403
   16    HB2  GLU   3           2HB      GLU   3   4.656   6.398   8.572
   17    HB3  GLU   3           1HB      GLU   3   3.678   6.950   9.915
   18    HG2  GLU   3           2HG      GLU   3   2.226   5.189   9.747
   19    HG3  GLU   3           1HG      GLU   3   2.495   4.991   8.010
   20    H    ARG   4           H        ARG   4   5.407   7.985   7.305
   21    HA   ARG   4           HA       ARG   4   5.571  10.478   8.694
   22    HB2  ARG   4           2HB      ARG   4   7.737   8.644   7.680
   23    HB3  ARG   4           1HB      ARG   4   8.010  10.080   8.671
   24    HG2  ARG   4           2HG      ARG   4   7.010   9.122  10.541
   25    HG3  ARG   4           1HG      ARG   4   6.207   7.884   9.583
   26    HD2  ARG   4           2HD      ARG   4   8.575   7.036   9.057
   27    HD3  ARG   4           1HD      ARG   4   9.088   8.046  10.419
   28    HE   ARG   4           HE       ARG   4   8.074   6.622  11.863
   29   HH11  ARG   4          1HH1      ARG   4   7.256   5.668   8.528
   30   HH12  ARG   4          2HH1      ARG   4   6.136   4.467   9.000
   31   HH21  ARG   4          1HH2      ARG   4   6.489   4.813  12.475
   32   HH22  ARG   4          2HH2      ARG   4   5.674   4.049  11.185
   33    H    GLU   5           H        GLU   5   6.098   8.796   5.724
   34    HA   GLU   5           HA       GLU   5   7.273  10.672   4.173
   35    HB2  GLU   5           2HB      GLU   5   6.011   9.319   2.393
   36    HB3  GLU   5           1HB      GLU   5   7.384   8.607   3.321
   37    HG2  GLU   5           2HG      GLU   5   4.493   8.162   4.037
   38    HG3  GLU   5           1HG      GLU   5   5.245   7.204   2.774
   39    H    GLN   6           H        GLN   6   3.810  10.088   4.653
   40    HA   GLN   6           HA       GLN   6   3.279  12.561   3.084
   41    HB2  GLN   6           2HB      GLN   6   1.487  10.162   3.369
   42    HB3  GLN   6           1HB      GLN   6   1.144  11.612   2.444
   43    HG2  GLN   6           2HG      GLN   6   3.341   9.678   1.941
   44    HG3  GLN   6           1HG      GLN   6   1.757   9.744   1.107
   45   HE21  GLN   6          1HE2      GLN   6   4.575  10.075   0.013
   46   HE22  GLN   6          2HE2      GLN   6   4.544  11.624  -0.736
   47    H    GLN   7           H        GLN   7   3.012  10.911   6.037
   48    HA   GLN   7           HA       GLN   7   2.217  11.194   7.815
   49    HB2  GLN   7           2HB      GLN   7   1.381  13.956   6.928
   50    HB3  GLN   7           1HB      GLN   7   1.267  13.422   8.607
   51    HG2  GLN   7           2HG      GLN   7   3.608  13.013   8.712
   52    HG3  GLN   7           1HG      GLN   7   3.774  13.315   6.989
   53   HE21  GLN   7          1HE2      GLN   7   5.284  14.914   7.326
   54   HE22  GLN   7          2HE2      GLN   7   4.884  16.474   7.977
   55    H    LEU   8           H        LEU   8   0.786  10.162   5.703
   56    HA   LEU   8           HA       LEU   8  -2.110  10.205   6.379
   57    HB2  LEU   8           2HB      LEU   8  -0.530   8.890   4.195
   58    HB3  LEU   8           1HB      LEU   8  -2.275   8.775   4.402
   59    HG   LEU   8           HG       LEU   8  -0.770  11.242   4.006
   60   HD11  LEU   8          1HD1      LEU   8  -2.129   9.443   1.949
   61   HD12  LEU   8          2HD1      LEU   8  -0.415   9.910   1.966
   62   HD13  LEU   8          3HD1      LEU   8  -1.654  11.096   1.574
   63   HD21  LEU   8          3HD2      LEU   8  -2.918  11.667   4.941
   64   HD22  LEU   8          1HD2      LEU   8  -3.700  10.643   3.736
   65   HD23  LEU   8          2HD2      LEU   8  -2.970  12.174   3.254
   66    H    GLU   9           H        GLU   9  -2.923   8.166   6.260
   67    HA   GLU   9           HA       GLU   9  -1.414   6.275   8.004
   68    HB2  GLU   9           2HB      GLU   9  -3.946   6.932   8.401
   69    HB3  GLU   9           1HB      GLU   9  -4.091   5.888   6.966
   70    HG2  GLU   9           2HG      GLU   9  -3.065   4.034   8.222
   71    HG3  GLU   9           1HG      GLU   9  -3.190   5.018   9.687
   72    H    SER  10           H        SER  10  -0.819   4.327   7.088
   73    HA   SER  10           HA       SER  10  -1.162   3.988   4.343
   74    HB2  SER  10           2HB      SER  10   0.023   2.014   4.759
   75    HB3  SER  10           1HB      SER  10   0.695   3.487   5.595
   76    HG   SER  10           HG       SER  10  -1.045   1.995   7.114
   77    H    CYS  11           H        CYS  11  -2.509   2.372   3.520
   78    HA   CYS  11           HA       CYS  11  -4.303   1.110   5.415
   79    HB2  CYS  11           2HB      CYS  11  -6.323   2.115   4.628
   80    HB3  CYS  11           1HB      CYS  11  -5.210   3.483   4.612
   81    H    ALA  12           H        ALA  12  -5.757  -0.483   4.119
   82    HA   ALA  12           HA       ALA  12  -4.140  -1.439   1.882
   83    HB1  ALA  12           1HB      ALA  12  -5.774  -3.072   3.832
   84    HB2  ALA  12           2HB      ALA  12  -4.016  -2.935   3.826
   85    HB3  ALA  12           3HB      ALA  12  -4.844  -3.708   2.474
   86    H    CYS  13           H        CYS  13  -5.129  -1.494  -0.011
   87    HA   CYS  13           HA       CYS  13  -7.838  -0.766  -0.271
   88    HB2  CYS  13           2HB      CYS  13  -5.825  -1.862  -2.259
   89    HB3  CYS  13           1HB      CYS  13  -7.421  -1.298  -2.688
   90    H    ASN  14           H        ASN  14  -9.603  -1.835  -0.472
   91    HA   ASN  14           HA       ASN  14  -9.924  -4.388   0.622
   92    HB2  ASN  14           2HB      ASN  14 -11.611  -2.472   0.416
   93    HB3  ASN  14           1HB      ASN  14 -11.854  -2.992  -1.236
   94   HD21  ASN  14          1HD2      ASN  14 -11.788  -5.923  -0.486
   95   HD22  ASN  14          2HD2      ASN  14 -13.297  -6.168   0.327
   96    H    GLU  15           H        GLU  15  -9.280  -3.383  -2.606
   97    HA   GLU  15           HA       GLU  15 -10.250  -5.609  -3.867
   98    HB2  GLU  15           2HB      GLU  15  -9.958  -3.317  -4.864
   99    HB3  GLU  15           1HB      GLU  15  -8.225  -3.582  -4.816
  100    HG2  GLU  15           2HG      GLU  15 -10.075  -5.311  -6.425
  101    HG3  GLU  15           1HG      GLU  15  -9.335  -3.841  -7.056
  102    H    THR  16           H        THR  16  -8.856  -7.426  -4.719
  103    HA   THR  16           HA       THR  16  -7.043  -8.413  -2.825
  104    HB   THR  16           HB       THR  16  -7.570  -9.307  -5.652
  105    HG1  THR  16           1HG      THR  16  -8.914  -9.492  -3.330
  106   HG21  THR  16          3HG2      THR  16  -6.178 -10.846  -3.401
  107   HG22  THR  16          1HG2      THR  16  -5.366 -10.083  -4.776
  108   HG23  THR  16          2HG2      THR  16  -6.492 -11.420  -5.034
  109    H    ASP  17           H        ASP  17  -6.444  -7.140  -6.080
  110    HA   ASP  17           HA       ASP  17  -3.743  -7.819  -5.902
  111    HB2  ASP  17           2HB      ASP  17  -4.838  -7.567  -8.052
  112    HB3  ASP  17           1HB      ASP  17  -5.149  -5.868  -7.639
  113    H    ASN  18           H        ASN  18  -5.622  -4.864  -5.431
  114    HA   ASN  18           HA       ASN  18  -3.328  -3.282  -4.998
  115    HB2  ASN  18           2HB      ASN  18  -6.257  -2.707  -4.884
  116    HB3  ASN  18           1HB      ASN  18  -5.082  -1.533  -4.304
  117   HD21  ASN  18          1HD2      ASN  18  -6.152  -3.349  -7.125
  118   HD22  ASN  18          2HD2      ASN  18  -5.431  -2.298  -8.285
  119    H    SER  19           H        SER  19  -4.726  -5.459  -3.074
  120    HA   SER  19           HA       SER  19  -4.193  -3.944  -0.697
  121    HB2  SER  19           2HB      SER  19  -4.484  -6.094   0.629
  122    HB3  SER  19           1HB      SER  19  -5.859  -5.658  -0.383
  123    HG   SER  19           HG       SER  19  -4.465  -7.231  -1.906
  124    H    CYS  20           H        CYS  20  -2.320  -5.445  -2.945
  125    HA   CYS  20           HA       CYS  20  -0.055  -5.610  -1.120
  126    HB2  CYS  20           2HB      CYS  20  -0.471  -6.674  -3.882
  127    HB3  CYS  20           1HB      CYS  20   1.088  -6.729  -3.075
  128    H    LYS  21           H        LYS  21  -1.486  -3.290  -2.734
  129    HA   LYS  21           HA       LYS  21   1.037  -1.908  -3.260
  130    HB2  LYS  21           2HB      LYS  21  -1.722  -1.615  -4.424
  131    HB3  LYS  21           1HB      LYS  21  -0.533  -0.318  -4.464
  132    HG2  LYS  21           2HG      LYS  21  -0.405  -1.314  -6.590
  133    HG3  LYS  21           1HG      LYS  21   0.957  -1.953  -5.657
  134    HD2  LYS  21           2HD      LYS  21  -0.274  -4.030  -5.275
  135    HD3  LYS  21           1HD      LYS  21  -1.634  -3.396  -6.209
  136    HE2  LYS  21           2HE      LYS  21  -0.147  -3.178  -8.174
  137    HE3  LYS  21           1HE      LYS  21   1.161  -3.893  -7.238
  138    HZ1  LYS  21           3HZ      LYS  21   0.077  -5.589  -8.632
  139    HZ2  LYS  21           1HZ      LYS  21  -1.400  -5.186  -7.992
  140    HZ3  LYS  21           2HZ      LYS  21  -0.292  -5.938  -7.030
  141    H    VAL  22           H        VAL  22   1.316  -0.113  -2.725
  142    HA   VAL  22           HA       VAL  22   0.573   0.163  -0.025
  143    HB   VAL  22           HB       VAL  22   2.155   1.990  -1.789
  144   HG11  VAL  22          1HG1      VAL  22   3.053   2.768   0.466
  145   HG12  VAL  22          2HG1      VAL  22   1.667   1.865   1.160
  146   HG13  VAL  22          3HG1      VAL  22   1.379   3.177   0.022
  147   HG21  VAL  22          3HG2      VAL  22   2.989  -0.304  -1.621
  148   HG22  VAL  22          1HG2      VAL  22   3.129  -0.149   0.129
  149   HG23  VAL  22          2HG2      VAL  22   4.095   0.915  -0.932
  150    H    CYS  23           H        CYS  23  -1.285   0.699   0.209
  151    HA   CYS  23           HA       CYS  23  -2.353   3.121  -1.097
  152    HB2  CYS  23           2HB      CYS  23  -3.938   1.243   0.671
  153    HB3  CYS  23           1HB      CYS  23  -4.510   2.521  -0.416
  154    H    CYS  24           H        CYS  24  -3.363   4.753   0.212
  155    HA   CYS  24           HA       CYS  24  -2.473   4.910   2.967
  156    HB2  CYS  24           2HB      CYS  24  -2.378   7.111   0.867
  157    HB3  CYS  24           1HB      CYS  24  -1.967   7.287   2.561
  158    H    ARG  25           H        ARG  25  -3.997   6.740   3.930
  159    HA   ARG  25           HA       ARG  25  -6.335   6.701   2.233
  160    HB2  ARG  25           2HB      ARG  25  -7.831   6.481   4.038
  161    HB3  ARG  25           1HB      ARG  25  -6.689   5.148   4.113
  162    HG2  ARG  25           2HG      ARG  25  -5.667   5.878   5.832
  163    HG3  ARG  25           1HG      ARG  25  -6.200   7.607   5.664
  164    HD2  ARG  25           2HD      ARG  25  -7.703   7.000   7.290
  165    HD3  ARG  25           1HD      ARG  25  -8.511   6.281   5.888
  166    HE   ARG  25           HE       ARG  25  -6.812   4.905   7.839
  167   HH11  ARG  25          1HH1      ARG  25  -9.454   4.653   5.445
  168   HH12  ARG  25          2HH1      ARG  25  -9.611   2.975   5.626
  169   HH21  ARG  25          1HH2      ARG  25  -6.950   2.743   8.010
  170   HH22  ARG  25          2HH2      ARG  25  -8.124   1.770   7.212
  171    H    ASP  26           H        ASP  26  -7.805   8.305   2.787
  172    HA   ASP  26           HA       ASP  26  -6.269  10.813   2.849
  173    HB2  ASP  26           2HB      ASP  26  -7.543  11.505   1.044
  174    HB3  ASP  26           1HB      ASP  26  -7.488   9.760   0.760
  175    H    LEU  27           H        LEU  27  -8.301  12.369   2.918
  176    HA   LEU  27           HA       LEU  27  -8.630  12.751   5.628
  177    HB2  LEU  27           2HB      LEU  27  -9.773  13.998   3.239
  178    HB3  LEU  27           1HB      LEU  27 -10.070  14.722   4.834
  179    HG   LEU  27           HG       LEU  27  -8.405  16.043   3.888
  180   HD11  LEU  27          1HD1      LEU  27  -6.275  15.564   4.958
  181   HD12  LEU  27          2HD1      LEU  27  -6.836  13.930   5.312
  182   HD13  LEU  27          3HD1      LEU  27  -7.647  15.314   6.045
  183   HD21  LEU  27          3HD2      LEU  27  -7.122  13.572   2.754
  184   HD22  LEU  27          1HD2      LEU  27  -6.553  15.227   2.487
  185   HD23  LEU  27          2HD2      LEU  27  -8.136  14.688   1.871
  186    H    SER  28           H        SER  28 -10.603  11.613   3.017
  187    HA   SER  28           HA       SER  28 -13.001  11.527   4.539
  188    HB2  SER  28           2HB      SER  28 -12.920  12.062   2.070
  189    HB3  SER  28           1HB      SER  28 -12.461  10.393   1.772
  190    HG   SER  28           HG       SER  28 -14.882  11.498   2.520
  191    H    GLY  29           H        GLY  29 -10.265   9.806   4.365
  192    HA2  GLY  29           2HA      GLY  29  -9.577   8.044   5.272
  193    HA3  GLY  29           1HA      GLY  29 -11.193   7.655   5.887
  194    H    ARG  30           H        ARG  30 -10.575   8.116   2.474
  195    HA   ARG  30           HA       ARG  30 -11.419   5.388   1.970
  196    HB2  ARG  30           2HB      ARG  30 -10.766   7.601   0.012
  197    HB3  ARG  30           1HB      ARG  30 -11.571   6.088  -0.353
  198    HG2  ARG  30           2HG      ARG  30 -12.661   8.417   1.216
  199    HG3  ARG  30           1HG      ARG  30 -13.196   7.846  -0.363
  200    HD2  ARG  30           2HD      ARG  30 -13.759   5.659   0.831
  201    HD3  ARG  30           1HD      ARG  30 -13.558   6.566   2.329
  202    HE   ARG  30           HE       ARG  30 -15.535   7.105   0.239
  203   HH11  ARG  30          1HH1      ARG  30 -14.483   7.757   3.566
  204   HH12  ARG  30          2HH1      ARG  30 -16.009   8.107   4.165
  205   HH21  ARG  30          1HH2      ARG  30 -17.713   7.619   1.062
  206   HH22  ARG  30          2HH2      ARG  30 -17.916   8.032   2.700
  207    H    CYS  31           H        CYS  31 -10.130   4.070   0.520
  208    HA   CYS  31           HA       CYS  31  -7.351   4.493   1.043
  209    HB2  CYS  31           2HB      CYS  31  -8.914   2.130   0.148
  210    HB3  CYS  31           1HB      CYS  31  -7.178   2.186  -0.171
  211    H    VAL  32           H        VAL  32  -6.053   5.421  -0.176
  212    HA   VAL  32           HA       VAL  32  -6.600   5.444  -2.919
  213    HB   VAL  32           HB       VAL  32  -5.120   7.648  -2.868
  214   HG11  VAL  32          1HG1      VAL  32  -7.203   8.938  -2.764
  215   HG12  VAL  32          2HG1      VAL  32  -8.018   7.526  -2.069
  216   HG13  VAL  32          3HG1      VAL  32  -7.330   7.444  -3.705
  217   HG21  VAL  32          3HG2      VAL  32  -4.852   7.308  -0.333
  218   HG22  VAL  32          1HG2      VAL  32  -6.492   7.930  -0.168
  219   HG23  VAL  32          2HG2      VAL  32  -5.248   8.948  -0.880
  220    HA   PRO  33           HA       PRO  33  -2.728   3.353  -3.239
  221    HB2  PRO  33           2HB      PRO  33  -2.187   3.945  -5.864
  222    HB3  PRO  33           1HB      PRO  33  -3.368   2.710  -5.377
  223    HG2  PRO  33           2HG      PRO  33  -3.850   5.511  -6.253
  224    HG3  PRO  33           1HG      PRO  33  -4.757   4.034  -6.640
  225    HD2  PRO  33           2HD      PRO  33  -5.653   5.782  -4.771
  226    HD3  PRO  33           1HD      PRO  33  -5.891   4.031  -4.638
  227    H    TYR  34           H        TYR  34  -0.768   4.072  -2.465
  228    HA   TYR  34           HA       TYR  34   0.000   6.766  -2.523
  229    HB2  TYR  34           2HB      TYR  34   0.700   5.209  -0.820
  230    HB3  TYR  34           1HB      TYR  34   1.530   4.241  -2.052
  231    HD1  TYR  34           1HD      TYR  34   3.775   5.180  -3.100
  232    HD2  TYR  34           2HD      TYR  34   1.693   7.074   0.138
  233    HE1  TYR  34           1HE      TYR  34   5.585   6.297  -2.698
  234    HE2  TYR  34           2HE      TYR  34   3.754   8.352   0.601
  235    HH   TYR  34           HH       TYR  34   6.517   8.350  -1.509
  236    H    VAL  35           H        VAL  35   1.374   7.767  -3.812
  237    HA   VAL  35           HA       VAL  35   2.959   6.274  -5.705
  238    HB   VAL  35           HB       VAL  35   2.264   8.962  -6.482
  239   HG11  VAL  35          1HG1      VAL  35   3.589   7.598  -7.803
  240   HG12  VAL  35          2HG1      VAL  35   2.158   8.068  -8.717
  241   HG13  VAL  35          3HG1      VAL  35   2.290   6.427  -8.053
  242   HG21  VAL  35          3HG2      VAL  35   0.042   8.595  -7.460
  243   HG22  VAL  35          1HG2      VAL  35   0.027   8.349  -5.711
  244   HG23  VAL  35          2HG2      VAL  35   0.021   6.954  -6.798
  245    H    ASP  36           H        ASP  36   4.833   6.863  -5.701
  246    HA   ASP  36           HA       ASP  36   5.740   8.854  -3.734
  247    HB2  ASP  36           2HB      ASP  36   6.521   6.368  -4.285
  248    HB3  ASP  36           1HB      ASP  36   7.356   7.259  -5.590
  249    H    ALA  37           H        ALA  37   7.464   9.865  -4.328
  250    HA   ALA  37           HA       ALA  37   6.048  11.922  -5.090
  251    HB1  ALA  37           1HB      ALA  37   7.961  13.264  -4.597
  252    HB2  ALA  37           2HB      ALA  37   8.993  11.835  -4.914
  253    HB3  ALA  37           3HB      ALA  37   7.784  11.778  -3.615
  254    H    GLU  38           H        GLU  38   8.298  10.076  -7.155
  255    HA   GLU  38           HA       GLU  38   8.181  11.875  -9.249
  256    HB2  GLU  38           2HB      GLU  38   9.246   9.258  -8.815
  257    HB3  GLU  38           1HB      GLU  38   9.770  10.227 -10.230
  258    HG2  GLU  38           2HG      GLU  38  11.523  10.835  -8.852
  259    HG3  GLU  38           1HG      GLU  38  10.304  11.707  -7.900
  260    H    GLN  39           H        GLN  39   5.871   9.933  -8.136
  261    HA   GLN  39           HA       GLN  39   4.254   8.956  -8.779
  262    HB2  GLN  39           2HB      GLN  39   5.439   9.663 -11.256
  263    HB3  GLN  39           1HB      GLN  39   3.909   8.701 -11.357
  264    HG2  GLN  39           2HG      GLN  39   2.932  10.502  -9.908
  265    HG3  GLN  39           1HG      GLN  39   4.463  11.356 -10.032
  266   HE21  GLN  39          1HE2      GLN  39   1.779  12.181 -10.819
  267   HE22  GLN  39          2HE2      GLN  39   1.869  12.541 -12.517
  268    H    LYS  40           H        LYS  40   6.481   7.522  -7.872
  269    HA   LYS  40           HA       LYS  40   6.722   5.084  -9.385
  270    HB2  LYS  40           2HB      LYS  40   7.166   5.647  -6.524
  271    HB3  LYS  40           1HB      LYS  40   7.682   4.178  -7.342
  272    HG2  LYS  40           2HG      LYS  40   9.105   5.653  -8.676
  273    HG3  LYS  40           1HG      LYS  40   8.760   6.953  -7.481
  274    HD2  LYS  40           2HD      LYS  40   9.406   5.160  -5.705
  275    HD3  LYS  40           1HD      LYS  40  10.137   4.277  -7.035
  276    HE2  LYS  40           2HE      LYS  40  11.911   5.435  -6.016
  277    HE3  LYS  40           1HE      LYS  40  11.518   6.391  -7.443
  278    HZ1  LYS  40           3HZ      LYS  40  10.352   7.955  -6.099
  279    HZ2  LYS  40           1HZ      LYS  40  11.834   7.779  -5.441
  280    HZ3  LYS  40           2HZ      LYS  40  10.441   7.091  -4.722
  281    H    ASN  41           H        ASN  41   5.615   3.295  -8.911
  282    HA   ASN  41           HA       ASN  41   3.442   3.522  -6.963
  283    HB2  ASN  41           2HB      ASN  41   3.203   2.676  -9.448
  284    HB3  ASN  41           1HB      ASN  41   3.950   1.248  -8.712
  285   HD21  ASN  41          1HD2      ASN  41   1.093   3.302  -8.419
  286   HD22  ASN  41          2HD2      ASN  41   0.110   2.092  -7.676
  287    H    LEU  42           H        LEU  42   3.220   1.310  -5.806
  288    HA   LEU  42           HA       LEU  42   5.892   0.318  -5.099
  289    HB2  LEU  42           2HB      LEU  42   4.022   1.432  -3.052
  290    HB3  LEU  42           1HB      LEU  42   5.542   0.645  -2.727
  291    HG   LEU  42           HG       LEU  42   5.151   3.352  -4.008
  292   HD11  LEU  42          1HD1      LEU  42   4.713   2.844  -1.494
  293   HD12  LEU  42          2HD1      LEU  42   5.673   4.249  -1.972
  294   HD13  LEU  42          3HD1      LEU  42   6.482   2.779  -1.385
  295   HD21  LEU  42          3HD2      LEU  42   7.585   3.568  -3.800
  296   HD22  LEU  42          1HD2      LEU  42   7.171   2.224  -4.865
  297   HD23  LEU  42          2HD2      LEU  42   7.691   1.909  -3.208
  298    H    PHE  43           H        PHE  43   5.642  -1.879  -5.156
  299    HA   PHE  43           HA       PHE  43   3.335  -3.074  -4.329
  300    HB2  PHE  43           2HB      PHE  43   4.579  -5.122  -4.836
  301    HB3  PHE  43           1HB      PHE  43   4.952  -3.801  -5.962
  302    HD1  PHE  43           1HD      PHE  43   7.102  -2.746  -6.072
  303    HD2  PHE  43           2HD      PHE  43   6.369  -5.960  -3.377
  304    HE1  PHE  43           1HE      PHE  43   9.522  -3.033  -5.759
  305    HE2  PHE  43           2HE      PHE  43   8.788  -6.242  -3.056
  306    HZ   PHE  43           HZ       PHE  43  10.369  -4.781  -4.246
  307    H    LEU  44           H        LEU  44   2.976  -3.996  -2.243
  308    HA   LEU  44           HA       LEU  44   4.056  -2.880  -0.086
  309    HB2  LEU  44           2HB      LEU  44   1.812  -4.136  -0.448
  310    HB3  LEU  44           1HB      LEU  44   2.777  -5.554  -0.064
  311    HG   LEU  44           HG       LEU  44   3.157  -4.802   2.194
  312   HD11  LEU  44          1HD1      LEU  44   1.600  -2.339   1.415
  313   HD12  LEU  44          2HD1      LEU  44   3.317  -2.404   1.830
  314   HD13  LEU  44          3HD1      LEU  44   2.101  -2.764   3.050
  315   HD21  LEU  44          3HD2      LEU  44   1.104  -6.035   1.727
  316   HD22  LEU  44          1HD2      LEU  44   0.263  -4.518   1.407
  317   HD23  LEU  44          2HD2      LEU  44   0.868  -4.867   3.027
  318    H    ARG  45           H        ARG  45   4.716  -4.758   1.757
  319    HA   ARG  45           HA       ARG  45   7.214  -5.722   0.820
  320    HB2  ARG  45           2HB      ARG  45   5.863  -5.509   3.372
  321    HB3  ARG  45           1HB      ARG  45   7.482  -6.296   3.279
  322    HG2  ARG  45           2HG      ARG  45   6.639  -3.395   2.844
  323    HG3  ARG  45           1HG      ARG  45   7.746  -4.001   4.068
  324    HD2  ARG  45           2HD      ARG  45   9.107  -2.922   2.455
  325    HD3  ARG  45           1HD      ARG  45   9.288  -4.643   2.127
  326    HE   ARG  45           HE       ARG  45   7.265  -3.859   0.472
  327   HH11  ARG  45          1HH1      ARG  45  10.618  -2.815   0.879
  328   HH12  ARG  45          2HH1      ARG  45  10.785  -2.218  -0.704
  329   HH21  ARG  45          1HH2      ARG  45   7.447  -3.013  -1.689
  330   HH22  ARG  45          2HH2      ARG  45   8.903  -2.345  -2.223
  331    H    LYS  46           H        LYS  46   7.848  -7.992   1.542
  332    HA   LYS  46           HA       LYS  46   5.709  -9.678   0.552
  333    HB2  LYS  46           2HB      LYS  46   7.333 -11.228  -0.142
  334    HB3  LYS  46           1HB      LYS  46   8.148  -9.690  -0.333
  335    HG2  LYS  46           2HG      LYS  46   9.174 -10.142   1.964
  336    HG3  LYS  46           1HG      LYS  46   8.575 -11.784   1.775
  337    HD2  LYS  46           2HD      LYS  46  10.608 -10.341   0.063
  338    HD3  LYS  46           1HD      LYS  46  10.872 -11.747   1.078
  339    HE2  LYS  46           2HE      LYS  46   9.269 -11.647  -1.498
  340    HE3  LYS  46           1HE      LYS  46  10.860 -12.357  -1.286
  341    HZ1  LYS  46           3HZ      LYS  46   8.233 -13.338  -0.340
  342    HZ2  LYS  46           1HZ      LYS  46   9.693 -14.009   0.271
  343    HZ3  LYS  46           2HZ      LYS  46   9.263 -14.007  -1.378
  344    H    GLY  47           H        GLY  47   4.728 -11.225   1.518
  345    HA2  GLY  47           2HA      GLY  47   4.034 -12.727   3.089
  346    HA3  GLY  47           1HA      GLY  47   5.586 -12.538   3.946
  347    H    LYS  48           H        LYS  48   3.199 -10.141   3.004
  348    HA   LYS  48           HA       LYS  48   2.564  -9.706   5.802
  349    HB2  LYS  48           2HB      LYS  48   2.772  -8.027   3.395
  350    HB3  LYS  48           1HB      LYS  48   2.107  -7.345   4.914
  351    HG2  LYS  48           2HG      LYS  48   4.911  -8.402   4.375
  352    HG3  LYS  48           1HG      LYS  48   4.470  -6.711   4.611
  353    HD2  LYS  48           2HD      LYS  48   4.128  -6.984   6.892
  354    HD3  LYS  48           1HD      LYS  48   3.868  -8.718   6.770
  355    HE2  LYS  48           2HE      LYS  48   6.506  -7.329   6.326
  356    HE3  LYS  48           1HE      LYS  48   6.023  -8.137   7.817
  357    HZ1  LYS  48           3HZ      LYS  48   7.325  -9.701   6.586
  358    HZ2  LYS  48           1HZ      LYS  48   6.466  -9.432   5.152
  359    HZ3  LYS  48           2HZ      LYS  48   5.715 -10.187   6.413
  360    HA   PRO  49           HA       PRO  49  -1.371 -11.236   4.623
  361    HB2  PRO  49           2HB      PRO  49  -2.934  -9.941   6.470
  362    HB3  PRO  49           1HB      PRO  49  -1.940 -11.360   6.855
  363    HG2  PRO  49           2HG      PRO  49  -1.358  -8.490   7.336
  364    HG3  PRO  49           1HG      PRO  49  -1.046  -9.900   8.373
  365    HD2  PRO  49           2HD      PRO  49   0.902  -8.755   6.934
  366    HD3  PRO  49           1HD      PRO  49   0.854 -10.504   7.228
  367    H    CYS  50           H        CYS  50  -2.687 -10.710   3.052
  368    HA   CYS  50           HA       CYS  50  -3.492  -7.961   2.756
  369    HB2  CYS  50           2HB      CYS  50  -3.364  -8.231   0.341
  370    HB3  CYS  50           1HB      CYS  50  -1.810  -8.635   1.045
  371    H    THR  51           H        THR  51  -5.229  -8.801   0.538
  372    HA   THR  51           HA       THR  51  -7.597  -9.348   1.868
  373    HB   THR  51           HB       THR  51  -8.300 -10.009  -0.537
  374    HG1  THR  51           1HG      THR  51  -5.894  -8.720  -1.250
  375   HG21  THR  51          3HG2      THR  51  -8.671  -7.815   0.539
  376   HG22  THR  51          1HG2      THR  51  -8.286  -7.685  -1.194
  377   HG23  THR  51          2HG2      THR  51  -7.031  -7.371   0.010
  378    H    VAL  52           H        VAL  52  -6.090 -11.369  -0.466
  379    HA   VAL  52           HA       VAL  52  -7.574 -13.663   0.470
  380    HB   VAL  52           HB       VAL  52  -6.794 -14.857  -1.506
  381   HG11  VAL  52          1HG1      VAL  52  -8.776 -13.477  -1.703
  382   HG12  VAL  52          2HG1      VAL  52  -7.839 -13.351  -3.200
  383   HG13  VAL  52          3HG1      VAL  52  -7.781 -12.054  -2.008
  384   HG21  VAL  52          3HG2      VAL  52  -5.343 -12.333  -2.278
  385   HG22  VAL  52          1HG2      VAL  52  -5.365 -13.840  -3.169
  386   HG23  VAL  52          2HG2      VAL  52  -4.510 -13.745  -1.621
  387    H    GLY  53           H        GLY  53  -4.236 -12.750   0.526
  388    HA2  GLY  53           2HA      GLY  53  -3.680 -14.854   2.369
  389    HA3  GLY  53           1HA      GLY  53  -2.924 -15.025   0.776
  390    H    PHE  54           H        PHE  54  -0.898 -14.364   0.775
  391    HA   PHE  54           HA       PHE  54  -0.313 -11.961   2.326
  392    HB2  PHE  54           2HB      PHE  54   1.899 -12.765   2.768
  393    HB3  PHE  54           1HB      PHE  54   0.639 -14.010   3.111
  394    HD1  PHE  54           1HD      PHE  54   0.662 -16.115   2.050
  395    HD2  PHE  54           2HD      PHE  54   3.416 -13.099   0.845
  396    HE1  PHE  54           1HE      PHE  54   1.931 -17.787   0.768
  397    HE2  PHE  54           2HE      PHE  54   4.683 -14.765  -0.444
  398    HZ   PHE  54           HZ       PHE  54   3.943 -17.113  -0.482
  399    H    CYS  55           H        CYS  55   1.162 -10.593   1.516
  400    HA   CYS  55           HA       CYS  55   1.109 -10.316  -1.392
  401    HB2  CYS  55           2HB      CYS  55   2.152  -8.626   0.819
  402    HB3  CYS  55           1HB      CYS  55   2.355  -8.203  -0.873
  403    H    ASP  56           H        ASP  56   2.769 -10.964  -2.626
  404    HA   ASP  56           HA       ASP  56   5.326 -10.955  -1.177
  405    HB2  ASP  56           2HB      ASP  56   4.494 -13.218  -2.239
  406    HB3  ASP  56           1HB      ASP  56   5.153 -12.532  -3.730
  407    H    MET  57           H        MET  57   7.150 -10.984  -3.304
  408    HA   MET  57           HA       MET  57   7.291  -8.152  -3.613
  409    HB2  MET  57           2HB      MET  57   9.066 -10.352  -4.618
  410    HB3  MET  57           1HB      MET  57   9.375  -8.654  -4.961
  411    HG2  MET  57           2HG      MET  57   9.572  -8.166  -2.620
  412    HG3  MET  57           1HG      MET  57   9.101  -9.806  -2.203
  413    HE1  MET  57           3HE      MET  57  11.544  -8.698  -5.126
  414    HE2  MET  57           1HE      MET  57  13.090  -8.712  -4.281
  415    HE3  MET  57           2HE      MET  57  11.858  -7.528  -3.845
  416    H    ASN  58           H        ASN  58   5.601 -10.237  -5.433
  417    HA   ASN  58           HA       ASN  58   6.009  -8.904  -7.979
  418    HB2  ASN  58           2HB      ASN  58   5.433 -11.301  -7.947
  419    HB3  ASN  58           1HB      ASN  58   3.932 -10.942  -7.111
  420   HD21  ASN  58          1HD2      ASN  58   5.627 -10.781 -10.156
  421   HD22  ASN  58          2HD2      ASN  58   4.215 -10.462 -11.111
  422    H    GLY  59           H        GLY  59   4.185  -8.457  -5.136
  423    HA2  GLY  59           2HA      GLY  59   2.703  -6.737  -4.586
  424    HA3  GLY  59           1HA      GLY  59   2.703  -6.237  -6.288
  425    H    LYS  60           H        LYS  60   2.280  -9.470  -5.458
  426    HA   LYS  60           HA       LYS  60  -0.675  -9.482  -5.899
  427    HB2  LYS  60           2HB      LYS  60   0.750 -10.462  -7.802
  428    HB3  LYS  60           1HB      LYS  60   1.412 -11.503  -6.525
  429    HG2  LYS  60           2HG      LYS  60  -0.790 -12.494  -6.184
  430    HG3  LYS  60           1HG      LYS  60  -1.438 -11.501  -7.490
  431    HD2  LYS  60           2HD      LYS  60  -0.201 -12.640  -9.123
  432    HD3  LYS  60           1HD      LYS  60   0.917 -13.308  -7.933
  433    HE2  LYS  60           2HE      LYS  60  -2.002 -14.051  -8.178
  434    HE3  LYS  60           1HE      LYS  60  -0.661 -14.998  -8.818
  435    HZ1  LYS  60           3HZ      LYS  60   0.186 -15.226  -6.510
  436    HZ2  LYS  60           1HZ      LYS  60  -1.349 -15.878  -6.607
  437    HZ3  LYS  60           2HZ      LYS  60  -1.063 -14.374  -5.914
  438    H    CYS  61           H        CYS  61  -1.563 -11.055  -5.042
  439    HA   CYS  61           HA       CYS  61  -0.701 -11.562  -2.323
  440    HB2  CYS  61           2HB      CYS  61  -3.125 -11.203  -3.834
  441    HB3  CYS  61           1HB      CYS  61  -3.298 -12.299  -2.428
  442    H    GLU  62           H        GLU  62  -0.152 -13.615  -1.879
  443    HA   GLU  62           HA       GLU  62  -0.908 -15.694  -3.709
  444    HB2  GLU  62           2HB      GLU  62   1.266 -15.781  -1.590
  445    HB3  GLU  62           1HB      GLU  62   0.988 -16.950  -2.865
  446    HG2  GLU  62           2HG      GLU  62   2.123 -14.169  -3.120
  447    HG3  GLU  62           1HG      GLU  62   2.926 -15.698  -3.453