NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21942 | 2ikd | 15105 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLN 11 H GLN 11 -11.137 -10.801 -5.260 2 HA GLN 11 HA GLN 11 -10.981 -13.599 -4.404 3 HB2 GLN 11 2HB GLN 11 -9.425 -12.095 -6.053 4 HB3 GLN 11 1HB GLN 11 -8.651 -11.785 -4.505 5 HG2 GLN 11 2HG GLN 11 -7.484 -13.625 -5.022 6 HG3 GLN 11 1HG GLN 11 -8.897 -14.457 -4.373 7 HE21 GLN 11 1HE2 GLN 11 -9.795 -15.933 -5.617 8 HE22 GLN 11 2HE2 GLN 11 -9.608 -16.072 -7.328 9 H ALA 12 H ALA 12 -9.882 -14.001 -2.396 10 HA ALA 12 HA ALA 12 -10.622 -12.065 -0.351 11 HB1 ALA 12 3HB ALA 12 -11.318 -14.256 0.166 12 HB2 ALA 12 1HB ALA 12 -9.925 -13.948 1.203 13 HB3 ALA 12 2HB ALA 12 -9.745 -14.938 -0.244 14 H CYS 13 H CYS 13 -9.221 -10.673 0.486 15 HA CYS 13 HA CYS 13 -6.344 -11.285 0.271 16 HB2 CYS 13 2HB CYS 13 -5.919 -8.893 0.159 17 HB3 CYS 13 1HB CYS 13 -7.048 -9.360 -1.107 18 H THR 14 H THR 14 -4.997 -10.160 1.950 19 HA THR 14 HA THR 14 -6.341 -10.376 4.559 20 HB THR 14 HB THR 14 -4.598 -12.003 4.359 21 HG1 THR 14 1HG THR 14 -3.407 -11.451 6.109 22 HG21 THR 14 3HG2 THR 14 -2.279 -11.450 3.907 23 HG22 THR 14 1HG2 THR 14 -2.724 -9.768 3.619 24 HG23 THR 14 2HG2 THR 14 -3.307 -11.033 2.537 25 H LEU 15 H LEU 15 -6.782 -8.507 5.493 26 HA LEU 15 HA LEU 15 -5.813 -6.014 4.666 27 HB2 LEU 15 2HB LEU 15 -6.668 -5.288 6.997 28 HB3 LEU 15 1HB LEU 15 -7.815 -5.900 5.821 29 HG LEU 15 HG LEU 15 -6.696 -7.955 7.601 30 HD11 LEU 15 1HD1 LEU 15 -8.787 -6.360 8.920 31 HD12 LEU 15 2HD1 LEU 15 -7.179 -5.635 8.887 32 HD13 LEU 15 3HD1 LEU 15 -7.414 -7.226 9.606 33 HD21 LEU 15 3HD2 LEU 15 -8.446 -8.865 6.530 34 HD22 LEU 15 1HD2 LEU 15 -9.189 -7.301 6.199 35 HD23 LEU 15 2HD2 LEU 15 -9.405 -8.065 7.773 36 HA PRO 16 HA PRO 16 -1.900 -5.242 6.519 37 HB2 PRO 16 2HB PRO 16 -2.478 -3.052 8.174 38 HB3 PRO 16 1HB PRO 16 -1.975 -2.977 6.483 39 HG2 PRO 16 2HG PRO 16 -4.710 -2.814 7.659 40 HG3 PRO 16 1HG PRO 16 -4.035 -1.966 6.255 41 HD2 PRO 16 2HD PRO 16 -5.712 -4.025 5.948 42 HD3 PRO 16 1HD PRO 16 -4.334 -3.797 4.852 43 H ASN 17 H ASN 17 -4.696 -5.497 8.596 44 HA ASN 17 HA ASN 17 -3.111 -5.962 10.977 45 HB2 ASN 17 2HB ASN 17 -5.695 -5.051 10.519 46 HB3 ASN 17 1HB ASN 17 -5.933 -6.666 11.177 47 HD21 ASN 17 1HD2 ASN 17 -4.815 -7.158 13.202 48 HD22 ASN 17 2HD2 ASN 17 -4.613 -5.894 14.363 49 H ASN 18 H ASN 18 -4.183 -7.806 8.365 50 HA ASN 18 HA ASN 18 -4.137 -10.025 7.895 51 HB2 ASN 18 2HB ASN 18 -2.379 -9.830 10.293 52 HB3 ASN 18 1HB ASN 18 -2.914 -11.435 9.805 53 HD21 ASN 18 1HD2 ASN 18 -1.251 -8.539 8.720 54 HD22 ASN 18 2HD2 ASN 18 -0.309 -9.314 7.496 55 H ASP 19 H ASP 19 -6.442 -10.021 8.145 56 HA ASP 19 HA ASP 19 -7.301 -11.888 10.198 57 HB2 ASP 19 2HB ASP 19 -8.019 -9.036 10.188 58 HB3 ASP 19 1HB ASP 19 -9.397 -10.125 10.304 59 H LYS 20 H LYS 20 -6.987 -11.733 7.223 60 HA LYS 20 HA LYS 20 -8.039 -12.529 5.374 61 HB2 LYS 20 2HB LYS 20 -10.110 -13.449 7.375 62 HB3 LYS 20 1HB LYS 20 -10.026 -13.963 5.696 63 HG2 LYS 20 2HG LYS 20 -8.842 -15.681 6.480 64 HG3 LYS 20 1HG LYS 20 -7.509 -14.530 6.579 65 HD2 LYS 20 2HD LYS 20 -8.647 -14.006 8.924 66 HD3 LYS 20 1HD LYS 20 -9.207 -15.668 8.733 67 HE2 LYS 20 2HE LYS 20 -7.144 -16.533 9.017 68 HE3 LYS 20 1HE LYS 20 -6.360 -15.219 8.140 69 HZ1 LYS 20 3HZ LYS 20 -5.943 -15.438 10.643 70 HZ2 LYS 20 1HZ LYS 20 -7.489 -14.773 10.829 71 HZ3 LYS 20 2HZ LYS 20 -6.282 -13.900 10.024 72 H GLY 21 H GLY 21 -9.405 -11.763 3.809 73 HA2 GLY 21 2HA GLY 21 -11.808 -10.344 4.372 74 HA3 GLY 21 1HA GLY 21 -10.488 -9.232 4.049 75 H THR 22 H THR 22 -12.143 -8.719 2.302 76 HA THR 22 HA THR 22 -11.672 -10.435 -0.046 77 HB THR 22 HB THR 22 -13.970 -8.512 0.355 78 HG1 THR 22 1HG THR 22 -15.183 -10.263 0.936 79 HG21 THR 22 3HG2 THR 22 -14.795 -9.139 -1.625 80 HG22 THR 22 1HG2 THR 22 -14.259 -10.809 -1.439 81 HG23 THR 22 2HG2 THR 22 -13.122 -9.574 -1.980 82 H CYS 23 H CYS 23 -11.118 -9.456 -2.012 83 HA CYS 23 HA CYS 23 -10.292 -6.636 -1.783 84 HB2 CYS 23 2HB CYS 23 -8.551 -8.628 -2.026 85 HB3 CYS 23 1HB CYS 23 -8.949 -8.447 -3.731 86 H LYS 24 H LYS 24 -11.296 -5.292 -3.085 87 HA LYS 24 HA LYS 24 -12.054 -6.132 -5.773 88 HB2 LYS 24 2HB LYS 24 -14.327 -5.185 -5.519 89 HB3 LYS 24 1HB LYS 24 -14.061 -6.587 -4.491 90 HG2 LYS 24 2HG LYS 24 -13.580 -5.002 -2.611 91 HG3 LYS 24 1HG LYS 24 -14.115 -3.696 -3.670 92 HD2 LYS 24 2HD LYS 24 -16.087 -4.151 -2.614 93 HD3 LYS 24 1HD LYS 24 -16.214 -5.287 -3.959 94 HE2 LYS 24 2HE LYS 24 -16.008 -7.087 -2.620 95 HE3 LYS 24 1HE LYS 24 -14.803 -6.311 -1.593 96 HZ1 LYS 24 3HZ LYS 24 -17.214 -6.845 -0.731 97 HZ2 LYS 24 1HZ LYS 24 -17.558 -5.342 -1.430 98 HZ3 LYS 24 2HZ LYS 24 -16.382 -5.464 -0.219 99 H SER 25 H SER 25 -12.887 -4.188 -7.044 100 HA SER 25 HA SER 25 -10.962 -2.166 -7.025 101 HB2 SER 25 2HB SER 25 -13.730 -1.848 -8.190 102 HB3 SER 25 1HB SER 25 -12.225 -1.121 -8.750 103 HG SER 25 HG SER 25 -11.535 -3.356 -9.154 104 H LEU 26 H LEU 26 -11.827 0.273 -7.077 105 HA LEU 26 HA LEU 26 -12.788 0.752 -4.363 106 HB2 LEU 26 2HB LEU 26 -11.926 2.963 -4.587 107 HB3 LEU 26 1HB LEU 26 -10.716 1.849 -5.196 108 HG LEU 26 HG LEU 26 -12.198 2.552 -7.451 109 HD11 LEU 26 1HD1 LEU 26 -11.413 5.175 -6.403 110 HD12 LEU 26 2HD1 LEU 26 -12.837 4.471 -5.640 111 HD13 LEU 26 3HD1 LEU 26 -12.800 4.710 -7.387 112 HD21 LEU 26 3HD2 LEU 26 -10.149 3.734 -8.102 113 HD22 LEU 26 1HD2 LEU 26 -9.802 2.162 -7.380 114 HD23 LEU 26 2HD2 LEU 26 -9.572 3.636 -6.438 115 H LEU 27 H LEU 27 -14.623 -0.111 -6.485 116 HA LEU 27 HA LEU 27 -16.553 2.062 -6.205 117 HB2 LEU 27 2HB LEU 27 -16.238 0.670 -8.850 118 HB3 LEU 27 1HB LEU 27 -17.151 2.122 -8.486 119 HG LEU 27 HG LEU 27 -14.160 2.081 -8.228 120 HD11 LEU 27 1HD1 LEU 27 -14.495 3.283 -10.594 121 HD12 LEU 27 2HD1 LEU 27 -15.796 2.096 -10.687 122 HD13 LEU 27 3HD1 LEU 27 -14.134 1.564 -10.428 123 HD21 LEU 27 3HD2 LEU 27 -15.424 3.941 -7.229 124 HD22 LEU 27 1HD2 LEU 27 -16.133 4.288 -8.806 125 HD23 LEU 27 2HD2 LEU 27 -14.396 4.470 -8.561 126 H GLN 28 H GLN 28 -16.183 -0.587 -4.990 127 HA GLN 28 HA GLN 28 -18.755 -1.771 -5.796 128 HB2 GLN 28 2HB GLN 28 -16.158 -3.149 -5.152 129 HB3 GLN 28 1HB GLN 28 -17.699 -3.982 -5.008 130 HG2 GLN 28 2HG GLN 28 -17.940 -2.980 -7.490 131 HG3 GLN 28 1HG GLN 28 -16.192 -3.183 -7.403 132 HE21 GLN 28 1HE2 GLN 28 -18.592 -4.605 -8.735 133 HE22 GLN 28 2HE2 GLN 28 -18.255 -6.276 -8.456 134 H CYS 29 H CYS 29 -16.344 -1.588 -3.184 135 HA CYS 29 HA CYS 29 -17.977 -2.541 -1.124 136 HB2 CYS 29 2HB CYS 29 -15.379 -1.825 -1.278 137 HB3 CYS 29 1HB CYS 29 -16.022 -0.421 -0.433 138 H ASP 30 H ASP 30 -19.537 -1.654 0.102 139 HA ASP 30 HA ASP 30 -20.856 0.678 -0.720 140 HB2 ASP 30 2HB ASP 30 -21.051 -1.114 1.663 141 HB3 ASP 30 1HB ASP 30 -21.903 0.427 1.689 142 H VAL 31 H VAL 31 -18.611 0.098 1.941 143 HA VAL 31 HA VAL 31 -18.767 2.711 3.029 144 HB VAL 31 HB VAL 31 -17.909 0.822 4.337 145 HG11 VAL 31 1HG1 VAL 31 -15.503 0.931 2.523 146 HG12 VAL 31 2HG1 VAL 31 -16.739 -0.327 2.502 147 HG13 VAL 31 3HG1 VAL 31 -15.717 -0.120 3.925 148 HG21 VAL 31 3HG2 VAL 31 -15.482 2.445 4.313 149 HG22 VAL 31 1HG2 VAL 31 -16.663 2.188 5.597 150 HG23 VAL 31 2HG2 VAL 31 -16.966 3.397 4.350 151 H ALA 32 H ALA 32 -16.610 1.175 0.705 152 HA ALA 32 HA ALA 32 -14.841 3.354 0.396 153 HB1 ALA 32 3HB ALA 32 -14.004 2.215 -1.528 154 HB2 ALA 32 1HB ALA 32 -15.481 1.262 -1.675 155 HB3 ALA 32 2HB ALA 32 -14.393 0.997 -0.313 156 H SER 33 H SER 33 -17.863 2.472 -1.161 157 HA SER 33 HA SER 33 -17.760 4.378 -3.243 158 HB2 SER 33 2HB SER 33 -20.192 3.117 -1.957 159 HB3 SER 33 1HB SER 33 -20.147 3.920 -3.526 160 HG SER 33 HG SER 33 -19.334 1.394 -2.816 161 H LYS 34 H LYS 34 -18.973 4.517 0.061 162 HA LYS 34 HA LYS 34 -20.292 7.016 -0.238 163 HB2 LYS 34 2HB LYS 34 -20.582 7.002 2.125 164 HB3 LYS 34 1HB LYS 34 -20.760 5.344 1.575 165 HG2 LYS 34 2HG LYS 34 -19.090 4.643 2.857 166 HG3 LYS 34 1HG LYS 34 -18.025 5.938 2.316 167 HD2 LYS 34 2HD LYS 34 -18.397 7.152 4.157 168 HD3 LYS 34 1HD LYS 34 -20.138 6.888 4.075 169 HE2 LYS 34 2HE LYS 34 -20.067 5.069 5.442 170 HE3 LYS 34 1HE LYS 34 -18.454 4.597 4.908 171 HZ1 LYS 34 3HZ LYS 34 -17.862 6.842 6.151 172 HZ2 LYS 34 1HZ LYS 34 -17.941 5.358 6.961 173 HZ3 LYS 34 2HZ LYS 34 -19.247 6.433 7.031 174 H ILE 35 H ILE 35 -17.017 6.081 0.573 175 HA ILE 35 HA ILE 35 -16.184 8.630 1.525 176 HB ILE 35 HB ILE 35 -14.531 6.374 0.380 177 HG12 ILE 35 2HG1 ILE 35 -15.871 5.817 2.409 178 HG13 ILE 35 1HG1 ILE 35 -14.133 5.725 2.674 179 HG21 ILE 35 1HG2 ILE 35 -13.215 8.341 0.253 180 HG22 ILE 35 2HG2 ILE 35 -12.684 7.476 1.695 181 HG23 ILE 35 3HG2 ILE 35 -13.741 8.880 1.848 182 HD11 ILE 35 3HD1 ILE 35 -14.231 7.229 4.297 183 HD12 ILE 35 1HD1 ILE 35 -15.986 7.083 4.214 184 HD13 ILE 35 2HD1 ILE 35 -15.161 8.348 3.301 185 H ILE 36 H ILE 36 -16.259 7.101 -1.636 186 HA ILE 36 HA ILE 36 -14.734 9.126 -2.956 187 HB ILE 36 HB ILE 36 -16.644 7.116 -4.154 188 HG12 ILE 36 2HG1 ILE 36 -14.734 6.189 -2.767 189 HG13 ILE 36 1HG1 ILE 36 -14.788 5.651 -4.442 190 HG21 ILE 36 1HG2 ILE 36 -15.498 7.496 -6.237 191 HG22 ILE 36 2HG2 ILE 36 -14.383 8.620 -5.461 192 HG23 ILE 36 3HG2 ILE 36 -16.089 9.036 -5.614 193 HD11 ILE 36 3HD1 ILE 36 -12.618 6.720 -3.104 194 HD12 ILE 36 1HD1 ILE 36 -13.180 8.030 -4.143 195 HD13 ILE 36 2HD1 ILE 36 -12.768 6.465 -4.843 196 H SER 37 H SER 37 -18.109 8.648 -2.211 197 HA SER 37 HA SER 37 -18.837 10.988 -3.824 198 HB2 SER 37 2HB SER 37 -20.805 9.214 -2.400 199 HB3 SER 37 1HB SER 37 -21.053 10.216 -3.829 200 HG SER 37 HG SER 37 -20.421 8.614 -5.022 201 H LYS 38 H LYS 38 -17.819 10.388 -0.769 202 HA LYS 38 HA LYS 38 -19.682 11.763 0.836 203 HB2 LYS 38 2HB LYS 38 -17.013 10.652 1.137 204 HB3 LYS 38 1HB LYS 38 -17.202 12.152 2.035 205 HG2 LYS 38 2HG LYS 38 -19.514 10.750 2.606 206 HG3 LYS 38 1HG LYS 38 -18.257 9.511 2.584 207 HD2 LYS 38 2HD LYS 38 -17.948 10.155 4.723 208 HD3 LYS 38 1HD LYS 38 -17.009 11.455 3.987 209 HE2 LYS 38 2HE LYS 38 -19.928 11.607 4.730 210 HE3 LYS 38 1HE LYS 38 -18.598 12.289 5.667 211 HZ1 LYS 38 3HZ LYS 38 -19.528 13.107 2.976 212 HZ2 LYS 38 1HZ LYS 38 -18.042 13.603 3.618 213 HZ3 LYS 38 2HZ LYS 38 -19.484 14.035 4.389 214 H LYS 39 H LYS 39 -16.408 13.007 0.384 215 HA LYS 39 HA LYS 39 -16.967 15.316 -1.041 216 HB2 LYS 39 2HB LYS 39 -18.069 15.453 1.551 217 HB3 LYS 39 1HB LYS 39 -16.647 16.486 1.572 218 HG2 LYS 39 2HG LYS 39 -18.156 16.940 -0.827 219 HG3 LYS 39 1HG LYS 39 -19.196 17.093 0.591 220 HD2 LYS 39 2HD LYS 39 -18.259 19.034 1.174 221 HD3 LYS 39 1HD LYS 39 -16.630 18.380 0.998 222 HE2 LYS 39 2HE LYS 39 -18.283 19.158 -1.384 223 HE3 LYS 39 1HE LYS 39 -17.313 20.342 -0.508 224 HZ1 LYS 39 3HZ LYS 39 -15.442 18.606 -0.863 225 HZ2 LYS 39 1HZ LYS 39 -15.872 19.640 -2.133 226 HZ3 LYS 39 2HZ LYS 39 -16.429 18.043 -2.115 227 HA PRO 40 HA PRO 40 -12.804 16.045 1.311 228 HB2 PRO 40 2HB PRO 40 -12.130 14.223 3.227 229 HB3 PRO 40 1HB PRO 40 -12.995 15.725 3.571 230 HG2 PRO 40 2HG PRO 40 -14.073 12.955 3.227 231 HG3 PRO 40 1HG PRO 40 -14.504 14.182 4.433 232 HD2 PRO 40 2HD PRO 40 -16.031 13.712 2.266 233 HD3 PRO 40 1HD PRO 40 -15.855 15.338 2.957 234 H ARG 41 H ARG 41 -10.900 15.363 0.458 235 HA ARG 41 HA ARG 41 -10.339 12.591 -0.042 236 HB2 ARG 41 2HB ARG 41 -11.873 13.260 -1.929 237 HB3 ARG 41 1HB ARG 41 -10.635 14.399 -2.442 238 HG2 ARG 41 2HG ARG 41 -9.082 12.333 -2.473 239 HG3 ARG 41 1HG ARG 41 -10.586 11.412 -2.490 240 HD2 ARG 41 2HD ARG 41 -10.546 13.617 -4.405 241 HD3 ARG 41 1HD ARG 41 -9.290 12.416 -4.693 242 HE ARG 41 HE ARG 41 -10.910 10.890 -5.276 243 HH11 ARG 41 1HH1 ARG 41 -12.418 13.694 -3.844 244 HH12 ARG 41 2HH1 ARG 41 -14.019 13.221 -4.304 245 HH21 ARG 41 1HH2 ARG 41 -13.015 10.267 -5.878 246 HH22 ARG 41 2HH2 ARG 41 -14.358 11.276 -5.458 247 H THR 42 H THR 42 -8.642 13.437 1.400 248 HA THR 42 HA THR 42 -6.669 15.166 0.125 249 HB THR 42 HB THR 42 -6.152 14.011 2.809 250 HG1 THR 42 1HG THR 42 -7.681 15.230 3.801 251 HG21 THR 42 3HG2 THR 42 -5.864 16.590 3.187 252 HG22 THR 42 1HG2 THR 42 -5.728 16.603 1.428 253 HG23 THR 42 2HG2 THR 42 -4.614 15.634 2.393 254 H ALA 43 H ALA 43 -4.299 14.443 0.818 255 HA ALA 43 HA ALA 43 -3.692 12.181 -0.754 256 HB1 ALA 43 3HB ALA 43 -1.574 12.903 -0.615 257 HB2 ALA 43 1HB ALA 43 -1.619 13.005 1.146 258 HB3 ALA 43 2HB ALA 43 -2.277 14.318 0.169 259 H GLN 44 H GLN 44 -4.139 12.631 2.689 260 HA GLN 44 HA GLN 44 -2.955 10.277 3.622 261 HB2 GLN 44 2HB GLN 44 -5.187 11.999 4.667 262 HB3 GLN 44 1HB GLN 44 -4.698 10.537 5.511 263 HG2 GLN 44 2HG GLN 44 -3.201 11.780 6.568 264 HG3 GLN 44 1HG GLN 44 -2.317 11.860 5.047 265 HE21 GLN 44 1HE2 GLN 44 -5.194 13.398 6.454 266 HE22 GLN 44 2HE2 GLN 44 -4.744 15.013 6.037 267 H ASP 45 H ASP 45 -6.084 10.862 2.168 268 HA ASP 45 HA ASP 45 -7.235 8.357 2.864 269 HB2 ASP 45 2HB ASP 45 -7.910 10.524 0.907 270 HB3 ASP 45 1HB ASP 45 -8.746 8.977 0.814 271 H GLU 46 H GLU 46 -5.337 9.512 0.146 272 HA GLU 46 HA GLU 46 -5.733 7.248 -1.512 273 HB2 GLU 46 2HB GLU 46 -3.624 9.399 -1.466 274 HB3 GLU 46 1HB GLU 46 -3.625 8.108 -2.658 275 HG2 GLU 46 2HG GLU 46 -6.056 9.797 -2.266 276 HG3 GLU 46 1HG GLU 46 -4.702 10.386 -3.231 277 H LYS 47 H LYS 47 -3.313 8.067 0.915 278 HA LYS 47 HA LYS 47 -1.618 5.856 0.374 279 HB2 LYS 47 2HB LYS 47 -0.623 6.338 2.585 280 HB3 LYS 47 1HB LYS 47 -0.767 7.777 1.585 281 HG2 LYS 47 2HG LYS 47 -2.595 8.582 2.841 282 HG3 LYS 47 1HG LYS 47 -2.793 7.041 3.676 283 HD2 LYS 47 2HD LYS 47 -0.139 8.281 3.950 284 HD3 LYS 47 1HD LYS 47 -1.465 9.177 4.692 285 HE2 LYS 47 2HE LYS 47 -0.706 7.750 6.384 286 HE3 LYS 47 1HE LYS 47 -2.144 6.953 5.749 287 HZ1 LYS 47 3HZ LYS 47 -0.944 5.263 4.895 288 HZ2 LYS 47 1HZ LYS 47 0.154 5.700 6.106 289 HZ3 LYS 47 2HZ LYS 47 0.391 6.229 4.516 290 H PHE 48 H PHE 48 -4.369 6.356 2.501 291 HA PHE 48 HA PHE 48 -4.141 3.940 3.937 292 HB2 PHE 48 2HB PHE 48 -6.105 6.083 3.658 293 HB3 PHE 48 1HB PHE 48 -6.852 4.506 3.897 294 HD1 PHE 48 2HD PHE 48 -5.180 3.117 5.724 295 HD2 PHE 48 1HD PHE 48 -6.123 7.267 5.617 296 HE1 PHE 48 2HE PHE 48 -4.742 3.275 8.139 297 HE2 PHE 48 1HE PHE 48 -5.685 7.432 8.033 298 HZ PHE 48 HZ PHE 48 -4.994 5.435 9.298 299 H LEU 49 H LEU 49 -5.960 4.802 1.024 300 HA LEU 49 HA LEU 49 -7.078 2.189 0.716 301 HB2 LEU 49 2HB LEU 49 -7.694 2.974 -1.565 302 HB3 LEU 49 1HB LEU 49 -8.256 4.015 -0.272 303 HG LEU 49 HG LEU 49 -6.027 5.332 -0.816 304 HD11 LEU 49 1HD1 LEU 49 -5.050 4.977 -2.802 305 HD12 LEU 49 2HD1 LEU 49 -6.584 4.659 -3.612 306 HD13 LEU 49 3HD1 LEU 49 -5.790 3.381 -2.693 307 HD21 LEU 49 3HD2 LEU 49 -8.046 6.481 -0.952 308 HD22 LEU 49 1HD2 LEU 49 -8.678 5.417 -2.208 309 HD23 LEU 49 2HD2 LEU 49 -7.410 6.581 -2.593 310 H ARG 50 H ARG 50 -4.226 3.848 -0.455 311 HA ARG 50 HA ARG 50 -3.445 1.910 -2.367 312 HB2 ARG 50 2HB ARG 50 -2.142 4.211 -0.999 313 HB3 ARG 50 1HB ARG 50 -1.096 3.017 -1.755 314 HG2 ARG 50 2HG ARG 50 -2.618 3.361 -3.823 315 HG3 ARG 50 1HG ARG 50 -3.079 4.859 -3.014 316 HD2 ARG 50 2HD ARG 50 -0.233 4.572 -2.933 317 HD3 ARG 50 1HD ARG 50 -0.794 4.363 -4.592 318 HE ARG 50 HE ARG 50 -0.813 6.785 -3.047 319 HH11 ARG 50 1HH1 ARG 50 -2.272 5.090 -5.725 320 HH12 ARG 50 2HH1 ARG 50 -2.811 6.536 -6.509 321 HH21 ARG 50 1HH2 ARG 50 -1.523 8.688 -4.076 322 HH22 ARG 50 2HH2 ARG 50 -2.386 8.579 -5.574 323 H GLU 51 H GLU 51 -2.856 2.320 1.071 324 HA GLU 51 HA GLU 51 -0.903 0.244 1.266 325 HB2 GLU 51 2HB GLU 51 -1.221 2.177 2.881 326 HB3 GLU 51 1HB GLU 51 -2.616 1.311 3.508 327 HG2 GLU 51 2HG GLU 51 -1.359 -0.107 4.680 328 HG3 GLU 51 1HG GLU 51 -0.206 -0.322 3.364 329 H SER 52 H SER 52 -4.390 0.412 1.566 330 HA SER 52 HA SER 52 -4.510 -2.402 2.361 331 HB2 SER 52 2HB SER 52 -6.898 -0.605 2.003 332 HB3 SER 52 1HB SER 52 -6.731 -2.027 3.033 333 HG SER 52 HG SER 52 -5.488 -0.863 4.436 334 H ALA 53 H ALA 53 -3.594 -1.805 -0.258 335 HA ALA 53 HA ALA 53 -5.830 -2.840 -1.879 336 HB1 ALA 53 3HB ALA 53 -4.850 -1.758 -3.816 337 HB2 ALA 53 1HB ALA 53 -3.508 -1.170 -2.834 338 HB3 ALA 53 2HB ALA 53 -5.141 -0.574 -2.541 339 H CYS 54 H CYS 54 -5.555 -4.750 -2.855 340 HA CYS 54 HA CYS 54 -3.017 -6.126 -2.484 341 HB2 CYS 54 2HB CYS 54 -4.213 -8.146 -3.065 342 HB3 CYS 54 1HB CYS 54 -5.160 -7.242 -1.890 343 H GLY 55 H GLY 55 -2.603 -4.163 -4.259 344 HA2 GLY 55 2HA GLY 55 -1.965 -5.652 -6.662 345 HA3 GLY 55 1HA GLY 55 -3.106 -4.335 -6.898 346 H PHE 56 H PHE 56 -0.290 -4.797 -7.829 347 HA PHE 56 HA PHE 56 0.958 -2.393 -6.674 348 HB2 PHE 56 2HB PHE 56 2.103 -4.886 -7.894 349 HB3 PHE 56 1HB PHE 56 3.044 -3.397 -7.874 350 HD1 PHE 56 2HD PHE 56 0.828 -5.128 -5.416 351 HD2 PHE 56 1HD PHE 56 4.637 -3.416 -6.233 352 HE1 PHE 56 2HE PHE 56 1.537 -5.616 -3.111 353 HE2 PHE 56 1HE PHE 56 5.354 -3.902 -3.931 354 HZ PHE 56 HZ PHE 56 3.803 -5.002 -2.365 355 H ASP 57 H ASP 57 -1.112 -2.371 -8.715 356 HA ASP 57 HA ASP 57 0.399 -1.408 -11.048 357 HB2 ASP 57 2HB ASP 57 -1.669 -3.181 -10.998 358 HB3 ASP 57 1HB ASP 57 -2.528 -1.672 -11.285 359 H GLY 58 H GLY 58 -0.319 0.557 -12.088 360 HA2 GLY 58 2HA GLY 58 -1.355 2.483 -10.116 361 HA3 GLY 58 1HA GLY 58 -0.344 2.886 -11.495 362 H GLN 59 H GLN 59 -1.989 1.110 -13.250 363 HA GLN 59 HA GLN 59 -3.962 3.106 -13.942 364 HB2 GLN 59 2HB GLN 59 -2.984 0.577 -15.238 365 HB3 GLN 59 1HB GLN 59 -4.420 1.399 -15.832 366 HG2 GLN 59 2HG GLN 59 -3.240 3.060 -16.772 367 HG3 GLN 59 1HG GLN 59 -2.070 3.117 -15.455 368 HE21 GLN 59 1HE2 GLN 59 -0.586 1.174 -15.371 369 HE22 GLN 59 2HE2 GLN 59 0.049 0.624 -16.881 370 H THR 60 H THR 60 -3.909 -0.219 -12.766 371 HA THR 60 HA THR 60 -6.838 -0.170 -12.552 372 HB THR 60 HB THR 60 -5.209 -2.626 -12.040 373 HG1 THR 60 1HG THR 60 -4.490 -2.608 -13.994 374 HG21 THR 60 3HG2 THR 60 -7.075 -3.806 -12.571 375 HG22 THR 60 1HG2 THR 60 -7.688 -2.565 -13.664 376 HG23 THR 60 2HG2 THR 60 -7.818 -2.347 -11.918 377 HA PRO 61 HA PRO 61 -5.586 0.574 -8.198 378 HB2 PRO 61 2HB PRO 61 -7.844 1.912 -7.521 379 HB3 PRO 61 1HB PRO 61 -6.474 2.691 -8.321 380 HG2 PRO 61 2HG PRO 61 -9.033 1.680 -9.503 381 HG3 PRO 61 1HG PRO 61 -8.174 3.196 -9.828 382 HD2 PRO 61 2HD PRO 61 -8.009 1.050 -11.471 383 HD3 PRO 61 1HD PRO 61 -6.661 2.182 -11.243 384 H LYS 62 H LYS 62 -6.192 -0.509 -6.359 385 HA LYS 62 HA LYS 62 -8.688 -2.044 -6.404 386 HB2 LYS 62 2HB LYS 62 -6.355 -3.269 -7.030 387 HB3 LYS 62 1HB LYS 62 -6.348 -3.462 -5.283 388 HG2 LYS 62 2HG LYS 62 -7.768 -5.149 -5.435 389 HG3 LYS 62 1HG LYS 62 -8.940 -4.121 -6.261 390 HD2 LYS 62 2HD LYS 62 -7.224 -4.602 -8.283 391 HD3 LYS 62 1HD LYS 62 -7.038 -6.094 -7.357 392 HE2 LYS 62 2HE LYS 62 -9.135 -6.801 -7.820 393 HE3 LYS 62 1HE LYS 62 -9.806 -5.171 -7.774 394 HZ1 LYS 62 3HZ LYS 62 -8.341 -5.004 -9.970 395 HZ2 LYS 62 1HZ LYS 62 -9.951 -5.523 -9.983 396 HZ3 LYS 62 2HZ LYS 62 -8.696 -6.658 -10.016 397 H VAL 63 H VAL 63 -9.230 -2.943 -4.248 398 HA VAL 63 HA VAL 63 -7.938 -1.660 -1.978 399 HB VAL 63 HB VAL 63 -10.897 -1.275 -2.431 400 HG11 VAL 63 1HG1 VAL 63 -10.470 -1.259 -0.123 401 HG12 VAL 63 2HG1 VAL 63 -10.509 0.442 -0.586 402 HG13 VAL 63 3HG1 VAL 63 -8.963 -0.365 -0.320 403 HG21 VAL 63 3HG2 VAL 63 -8.600 0.617 -2.902 404 HG22 VAL 63 1HG2 VAL 63 -10.280 1.135 -2.761 405 HG23 VAL 63 2HG2 VAL 63 -9.796 0.059 -4.072 406 H CYS 64 H CYS 64 -8.353 -2.665 -0.002 407 HA CYS 64 HA CYS 64 -9.582 -5.316 -0.238 408 HB2 CYS 64 2HB CYS 64 -7.419 -4.163 1.451 409 HB3 CYS 64 1HB CYS 64 -8.391 -5.456 2.146 410 H CYS 65 H CYS 65 -11.477 -5.722 0.668 411 HA CYS 65 HA CYS 65 -12.398 -3.985 2.860 412 HB2 CYS 65 2HB CYS 65 -13.681 -4.650 0.295 413 HB3 CYS 65 1HB CYS 65 -14.728 -4.820 1.698 414 HA PRO 66 HA PRO 66 -12.524 -8.001 4.887 415 HB2 PRO 66 2HB PRO 66 -13.666 -7.049 7.209 416 HB3 PRO 66 1HB PRO 66 -11.934 -7.049 6.869 417 HG2 PRO 66 2HG PRO 66 -13.911 -4.825 6.643 418 HG3 PRO 66 1HG PRO 66 -12.227 -4.782 7.192 419 HD2 PRO 66 2HD PRO 66 -12.964 -3.947 4.736 420 HD3 PRO 66 1HD PRO 66 -11.394 -4.711 5.043 Start of MODEL 2 1 H GLN 11 H GLN 11 -10.866 -10.832 -5.164 2 HA GLN 11 HA GLN 11 -10.509 -13.563 -4.168 3 HB2 GLN 11 2HB GLN 11 -9.015 -12.467 -5.909 4 HB3 GLN 11 1HB GLN 11 -8.535 -11.331 -4.656 5 HG2 GLN 11 2HG GLN 11 -7.600 -13.097 -3.331 6 HG3 GLN 11 1HG GLN 11 -8.219 -14.315 -4.445 7 HE21 GLN 11 1HE2 GLN 11 -5.554 -12.589 -3.570 8 HE22 GLN 11 2HE2 GLN 11 -4.624 -12.745 -5.016 9 H ALA 12 H ALA 12 -9.415 -13.790 -2.132 10 HA ALA 12 HA ALA 12 -10.424 -11.954 -0.146 11 HB1 ALA 12 3HB ALA 12 -9.233 -14.659 -0.144 12 HB2 ALA 12 1HB ALA 12 -10.624 -14.028 0.739 13 HB3 ALA 12 2HB ALA 12 -8.990 -13.689 1.309 14 H CYS 13 H CYS 13 -9.345 -10.332 0.753 15 HA CYS 13 HA CYS 13 -6.411 -10.270 0.473 16 HB2 CYS 13 2HB CYS 13 -7.096 -8.555 -0.940 17 HB3 CYS 13 1HB CYS 13 -8.473 -8.129 0.069 18 H THR 14 H THR 14 -5.211 -9.441 2.195 19 HA THR 14 HA THR 14 -6.610 -9.523 4.768 20 HB THR 14 HB THR 14 -4.691 -11.039 4.459 21 HG1 THR 14 1HG THR 14 -4.061 -10.719 6.450 22 HG21 THR 14 3HG2 THR 14 -3.453 -9.105 3.075 23 HG22 THR 14 1HG2 THR 14 -2.611 -10.442 3.860 24 HG23 THR 14 2HG2 THR 14 -2.711 -8.873 4.658 25 H LEU 15 H LEU 15 -7.178 -7.653 5.634 26 HA LEU 15 HA LEU 15 -6.405 -5.132 4.748 27 HB2 LEU 15 2HB LEU 15 -7.195 -4.426 7.126 28 HB3 LEU 15 1HB LEU 15 -8.347 -5.085 5.982 29 HG LEU 15 HG LEU 15 -7.077 -7.084 7.731 30 HD11 LEU 15 1HD1 LEU 15 -8.446 -4.714 8.828 31 HD12 LEU 15 2HD1 LEU 15 -7.281 -5.805 9.577 32 HD13 LEU 15 3HD1 LEU 15 -8.975 -6.277 9.451 33 HD21 LEU 15 3HD2 LEU 15 -9.013 -8.192 7.397 34 HD22 LEU 15 1HD2 LEU 15 -9.179 -7.070 6.047 35 HD23 LEU 15 2HD2 LEU 15 -9.999 -6.741 7.573 36 HA PRO 16 HA PRO 16 -2.484 -4.012 6.385 37 HB2 PRO 16 2HB PRO 16 -3.162 -1.812 7.994 38 HB3 PRO 16 1HB PRO 16 -2.731 -1.762 6.283 39 HG2 PRO 16 2HG PRO 16 -5.423 -1.755 7.561 40 HG3 PRO 16 1HG PRO 16 -4.867 -0.919 6.100 41 HD2 PRO 16 2HD PRO 16 -6.396 -3.105 5.942 42 HD3 PRO 16 1HD PRO 16 -5.083 -2.820 4.780 43 H ASN 17 H ASN 17 -5.156 -4.315 8.633 44 HA ASN 17 HA ASN 17 -3.413 -4.625 10.925 45 HB2 ASN 17 2HB ASN 17 -5.994 -3.765 10.657 46 HB3 ASN 17 1HB ASN 17 -6.233 -5.418 11.214 47 HD21 ASN 17 1HD2 ASN 17 -3.796 -2.948 11.949 48 HD22 ASN 17 2HD2 ASN 17 -4.045 -2.968 13.659 49 H ASN 18 H ASN 18 -4.641 -6.618 8.470 50 HA ASN 18 HA ASN 18 -4.416 -8.844 8.062 51 HB2 ASN 18 2HB ASN 18 -2.301 -8.338 9.685 52 HB3 ASN 18 1HB ASN 18 -3.171 -9.518 10.659 53 HD21 ASN 18 1HD2 ASN 18 -3.574 -11.595 9.769 54 HD22 ASN 18 2HD2 ASN 18 -2.561 -12.229 8.523 55 H ASP 19 H ASP 19 -6.688 -9.023 8.241 56 HA ASP 19 HA ASP 19 -7.509 -10.774 10.405 57 HB2 ASP 19 2HB ASP 19 -8.015 -8.130 10.757 58 HB3 ASP 19 1HB ASP 19 -9.469 -8.622 9.894 59 H LYS 20 H LYS 20 -7.119 -10.794 7.427 60 HA LYS 20 HA LYS 20 -8.075 -11.771 5.612 61 HB2 LYS 20 2HB LYS 20 -10.137 -12.698 7.619 62 HB3 LYS 20 1HB LYS 20 -9.956 -13.322 5.986 63 HG2 LYS 20 2HG LYS 20 -8.788 -14.909 7.095 64 HG3 LYS 20 1HG LYS 20 -7.480 -13.755 6.833 65 HD2 LYS 20 2HD LYS 20 -8.873 -13.048 9.225 66 HD3 LYS 20 1HD LYS 20 -8.466 -14.763 9.287 67 HE2 LYS 20 2HE LYS 20 -6.290 -13.097 8.292 68 HE3 LYS 20 1HE LYS 20 -6.789 -12.680 9.930 69 HZ1 LYS 20 3HZ LYS 20 -6.379 -15.507 9.264 70 HZ2 LYS 20 1HZ LYS 20 -6.159 -14.704 10.737 71 HZ3 LYS 20 2HZ LYS 20 -5.018 -14.530 9.500 72 H GLY 21 H GLY 21 -9.437 -11.186 3.974 73 HA2 GLY 21 2HA GLY 21 -11.948 -9.905 4.398 74 HA3 GLY 21 1HA GLY 21 -10.696 -8.729 4.026 75 H THR 22 H THR 22 -12.119 -8.308 2.166 76 HA THR 22 HA THR 22 -11.569 -10.191 -0.035 77 HB THR 22 HB THR 22 -13.879 -8.332 -0.238 78 HG1 THR 22 1HG THR 22 -14.147 -9.183 1.841 79 HG21 THR 22 3HG2 THR 22 -14.044 -11.226 -0.835 80 HG22 THR 22 1HG2 THR 22 -13.053 -10.217 -1.891 81 HG23 THR 22 2HG2 THR 22 -14.764 -9.848 -1.669 82 H CYS 23 H CYS 23 -10.979 -9.312 -2.035 83 HA CYS 23 HA CYS 23 -10.299 -6.445 -1.965 84 HB2 CYS 23 2HB CYS 23 -8.560 -8.603 -2.210 85 HB3 CYS 23 1HB CYS 23 -8.730 -8.004 -3.856 86 H LYS 24 H LYS 24 -11.321 -5.245 -3.391 87 HA LYS 24 HA LYS 24 -11.915 -6.290 -6.045 88 HB2 LYS 24 2HB LYS 24 -14.250 -5.346 -5.901 89 HB3 LYS 24 1HB LYS 24 -13.967 -6.801 -4.955 90 HG2 LYS 24 2HG LYS 24 -13.625 -5.329 -2.960 91 HG3 LYS 24 1HG LYS 24 -14.158 -3.973 -3.955 92 HD2 LYS 24 2HD LYS 24 -16.228 -4.487 -3.283 93 HD3 LYS 24 1HD LYS 24 -16.115 -5.866 -4.379 94 HE2 LYS 24 2HE LYS 24 -15.143 -5.996 -1.539 95 HE3 LYS 24 1HE LYS 24 -16.819 -6.331 -1.970 96 HZ1 LYS 24 3HZ LYS 24 -14.442 -7.926 -2.408 97 HZ2 LYS 24 1HZ LYS 24 -15.513 -7.870 -3.718 98 HZ3 LYS 24 2HZ LYS 24 -16.050 -8.411 -2.208 99 H SER 25 H SER 25 -12.812 -4.471 -7.466 100 HA SER 25 HA SER 25 -10.996 -2.346 -7.488 101 HB2 SER 25 2HB SER 25 -12.979 -1.350 -9.021 102 HB3 SER 25 1HB SER 25 -11.865 -2.596 -9.583 103 HG SER 25 HG SER 25 -13.607 -3.727 -9.879 104 H LEU 26 H LEU 26 -11.881 0.030 -7.663 105 HA LEU 26 HA LEU 26 -13.132 0.588 -5.084 106 HB2 LEU 26 2HB LEU 26 -12.292 2.822 -5.319 107 HB3 LEU 26 1HB LEU 26 -11.001 1.693 -5.682 108 HG LEU 26 HG LEU 26 -12.078 2.187 -8.170 109 HD11 LEU 26 1HD1 LEU 26 -12.581 4.492 -6.405 110 HD12 LEU 26 2HD1 LEU 26 -13.377 4.010 -7.902 111 HD13 LEU 26 3HD1 LEU 26 -11.829 4.853 -7.959 112 HD21 LEU 26 3HD2 LEU 26 -9.740 2.044 -7.801 113 HD22 LEU 26 1HD2 LEU 26 -9.756 3.437 -6.720 114 HD23 LEU 26 2HD2 LEU 26 -10.054 3.656 -8.445 115 H LEU 27 H LEU 27 -14.763 -0.404 -7.248 116 HA LEU 27 HA LEU 27 -16.664 1.816 -7.384 117 HB2 LEU 27 2HB LEU 27 -17.184 0.943 -9.777 118 HB3 LEU 27 1HB LEU 27 -15.857 2.061 -9.527 119 HG LEU 27 HG LEU 27 -14.289 0.122 -9.522 120 HD11 LEU 27 1HD1 LEU 27 -15.270 -1.970 -10.626 121 HD12 LEU 27 2HD1 LEU 27 -16.835 -1.354 -10.093 122 HD13 LEU 27 3HD1 LEU 27 -15.581 -1.720 -8.908 123 HD21 LEU 27 3HD2 LEU 27 -15.276 1.509 -11.607 124 HD22 LEU 27 1HD2 LEU 27 -15.703 -0.132 -12.096 125 HD23 LEU 27 2HD2 LEU 27 -14.021 0.278 -11.756 126 H GLN 28 H GLN 28 -16.614 -0.468 -5.691 127 HA GLN 28 HA GLN 28 -19.210 -1.575 -6.360 128 HB2 GLN 28 2HB GLN 28 -16.749 -3.294 -6.041 129 HB3 GLN 28 1HB GLN 28 -18.385 -3.920 -5.889 130 HG2 GLN 28 2HG GLN 28 -18.586 -2.693 -8.268 131 HG3 GLN 28 1HG GLN 28 -16.875 -3.117 -8.285 132 HE21 GLN 28 1HE2 GLN 28 -18.166 -4.289 -10.177 133 HE22 GLN 28 2HE2 GLN 28 -18.547 -5.938 -9.828 134 H CYS 29 H CYS 29 -16.459 -1.620 -4.126 135 HA CYS 29 HA CYS 29 -17.750 -2.596 -1.867 136 HB2 CYS 29 2HB CYS 29 -15.336 -0.940 -2.373 137 HB3 CYS 29 1HB CYS 29 -15.969 -0.944 -0.733 138 H ASP 30 H ASP 30 -19.449 -1.838 -0.802 139 HA ASP 30 HA ASP 30 -20.668 0.623 -1.253 140 HB2 ASP 30 2HB ASP 30 -20.943 -1.540 0.748 141 HB3 ASP 30 1HB ASP 30 -21.594 0.029 1.216 142 H VAL 31 H VAL 31 -18.352 -0.344 1.217 143 HA VAL 31 HA VAL 31 -18.454 2.015 2.753 144 HB VAL 31 HB VAL 31 -16.181 1.338 3.563 145 HG11 VAL 31 1HG1 VAL 31 -17.825 -1.125 3.673 146 HG12 VAL 31 2HG1 VAL 31 -18.562 0.371 4.245 147 HG13 VAL 31 3HG1 VAL 31 -17.065 -0.208 4.975 148 HG21 VAL 31 3HG2 VAL 31 -16.568 -1.022 1.726 149 HG22 VAL 31 1HG2 VAL 31 -15.229 -0.759 2.841 150 HG23 VAL 31 2HG2 VAL 31 -15.434 0.298 1.445 151 H ALA 32 H ALA 32 -16.534 1.095 -0.051 152 HA ALA 32 HA ALA 32 -14.780 3.294 -0.041 153 HB1 ALA 32 3HB ALA 32 -15.717 1.880 -2.522 154 HB2 ALA 32 1HB ALA 32 -14.579 1.153 -1.388 155 HB3 ALA 32 2HB ALA 32 -14.159 2.649 -2.221 156 H SER 33 H SER 33 -17.996 2.839 -1.379 157 HA SER 33 HA SER 33 -18.095 5.203 -2.912 158 HB2 SER 33 2HB SER 33 -20.306 3.559 -1.668 159 HB3 SER 33 1HB SER 33 -20.580 4.884 -2.797 160 HG SER 33 HG SER 33 -20.525 2.866 -3.862 161 H LYS 34 H LYS 34 -19.086 4.500 0.411 162 HA LYS 34 HA LYS 34 -20.211 7.019 0.952 163 HB2 LYS 34 2HB LYS 34 -20.168 6.408 3.262 164 HB3 LYS 34 1HB LYS 34 -20.526 4.958 2.339 165 HG2 LYS 34 2HG LYS 34 -18.613 3.934 2.942 166 HG3 LYS 34 1HG LYS 34 -17.681 5.429 2.961 167 HD2 LYS 34 2HD LYS 34 -17.752 5.004 5.202 168 HD3 LYS 34 1HD LYS 34 -19.236 5.947 5.039 169 HE2 LYS 34 2HE LYS 34 -19.958 3.303 4.474 170 HE3 LYS 34 1HE LYS 34 -18.881 3.209 5.866 171 HZ1 LYS 34 3HZ LYS 34 -20.317 5.048 6.833 172 HZ2 LYS 34 1HZ LYS 34 -20.998 3.501 6.760 173 HZ3 LYS 34 2HZ LYS 34 -21.437 4.673 5.623 174 H ILE 35 H ILE 35 -16.907 5.876 1.004 175 HA ILE 35 HA ILE 35 -15.830 8.084 2.445 176 HB ILE 35 HB ILE 35 -14.405 6.241 0.522 177 HG12 ILE 35 2HG1 ILE 35 -14.299 5.941 3.497 178 HG13 ILE 35 1HG1 ILE 35 -15.703 5.322 2.634 179 HG21 ILE 35 1HG2 ILE 35 -13.490 8.565 1.692 180 HG22 ILE 35 2HG2 ILE 35 -12.492 7.259 1.055 181 HG23 ILE 35 3HG2 ILE 35 -12.896 7.302 2.771 182 HD11 ILE 35 3HD1 ILE 35 -13.296 4.024 3.055 183 HD12 ILE 35 1HD1 ILE 35 -13.245 4.510 1.360 184 HD13 ILE 35 2HD1 ILE 35 -14.586 3.533 1.958 185 H ILE 36 H ILE 36 -16.383 7.401 -0.959 186 HA ILE 36 HA ILE 36 -14.912 9.592 -1.990 187 HB ILE 36 HB ILE 36 -17.240 8.103 -3.213 188 HG12 ILE 36 2HG1 ILE 36 -15.209 6.747 -2.647 189 HG13 ILE 36 1HG1 ILE 36 -15.588 6.785 -4.364 190 HG21 ILE 36 1HG2 ILE 36 -15.791 9.030 -5.307 191 HG22 ILE 36 2HG2 ILE 36 -15.616 10.359 -4.162 192 HG23 ILE 36 3HG2 ILE 36 -17.222 9.827 -4.657 193 HD11 ILE 36 3HD1 ILE 36 -13.772 8.906 -3.628 194 HD12 ILE 36 1HD1 ILE 36 -13.608 7.651 -4.857 195 HD13 ILE 36 2HD1 ILE 36 -13.146 7.318 -3.187 196 H SER 37 H SER 37 -18.211 9.217 -0.860 197 HA SER 37 HA SER 37 -19.013 11.842 -1.762 198 HB2 SER 37 2HB SER 37 -20.328 9.549 -0.397 199 HB3 SER 37 1HB SER 37 -21.017 11.150 -0.124 200 HG SER 37 HG SER 37 -21.010 11.345 -2.482 201 H LYS 38 H LYS 38 -17.658 10.434 1.095 202 HA LYS 38 HA LYS 38 -18.346 12.728 2.747 203 HB2 LYS 38 2HB LYS 38 -17.315 10.007 3.213 204 HB3 LYS 38 1HB LYS 38 -16.673 11.241 4.288 205 HG2 LYS 38 2HG LYS 38 -19.254 11.860 4.467 206 HG3 LYS 38 1HG LYS 38 -19.410 10.147 4.073 207 HD2 LYS 38 2HD LYS 38 -17.788 11.297 6.342 208 HD3 LYS 38 1HD LYS 38 -19.357 10.505 6.492 209 HE2 LYS 38 2HE LYS 38 -17.020 9.114 5.228 210 HE3 LYS 38 1HE LYS 38 -17.238 9.128 6.977 211 HZ1 LYS 38 3HZ LYS 38 -18.977 7.919 4.918 212 HZ2 LYS 38 1HZ LYS 38 -19.564 8.268 6.467 213 HZ3 LYS 38 2HZ LYS 38 -18.279 7.187 6.274 214 H LYS 39 H LYS 39 -15.417 11.095 1.606 215 HA LYS 39 HA LYS 39 -14.001 13.664 1.780 216 HB2 LYS 39 2HB LYS 39 -13.302 11.080 3.048 217 HB3 LYS 39 1HB LYS 39 -11.979 11.951 2.288 218 HG2 LYS 39 2HG LYS 39 -11.928 12.698 4.478 219 HG3 LYS 39 1HG LYS 39 -12.811 13.974 3.637 220 HD2 LYS 39 2HD LYS 39 -14.823 12.273 4.365 221 HD3 LYS 39 1HD LYS 39 -13.705 12.121 5.722 222 HE2 LYS 39 2HE LYS 39 -15.011 14.617 4.665 223 HE3 LYS 39 1HE LYS 39 -15.209 13.881 6.255 224 HZ1 LYS 39 3HZ LYS 39 -13.761 15.631 6.632 225 HZ2 LYS 39 1HZ LYS 39 -12.906 15.389 5.192 226 HZ3 LYS 39 2HZ LYS 39 -12.708 14.315 6.483 227 HA PRO 40 HA PRO 40 -13.785 11.873 -2.517 228 HB2 PRO 40 2HB PRO 40 -13.417 14.787 -2.997 229 HB3 PRO 40 1HB PRO 40 -14.428 13.623 -3.860 230 HG2 PRO 40 2HG PRO 40 -15.524 15.383 -2.193 231 HG3 PRO 40 1HG PRO 40 -16.121 13.713 -2.269 232 HD2 PRO 40 2HD PRO 40 -14.367 15.010 -0.224 233 HD3 PRO 40 1HD PRO 40 -15.671 13.824 -0.005 234 H ARG 41 H ARG 41 -11.749 10.951 -1.857 235 HA ARG 41 HA ARG 41 -9.499 10.678 -2.018 236 HB2 ARG 41 2HB ARG 41 -10.240 12.101 -4.266 237 HB3 ARG 41 1HB ARG 41 -8.924 13.063 -3.608 238 HG2 ARG 41 2HG ARG 41 -7.600 10.895 -3.506 239 HG3 ARG 41 1HG ARG 41 -8.872 10.204 -4.515 240 HD2 ARG 41 2HD ARG 41 -8.467 12.103 -6.122 241 HD3 ARG 41 1HD ARG 41 -7.041 12.505 -5.164 242 HE ARG 41 HE ARG 41 -6.722 9.868 -5.752 243 HH11 ARG 41 1HH1 ARG 41 -7.269 12.738 -7.661 244 HH12 ARG 41 2HH1 ARG 41 -6.412 12.135 -9.039 245 HH21 ARG 41 1HH2 ARG 41 -5.594 9.074 -7.566 246 HH22 ARG 41 2HH2 ARG 41 -5.461 10.056 -8.986 247 H THR 42 H THR 42 -8.387 11.028 -0.221 248 HA THR 42 HA THR 42 -7.594 13.769 0.434 249 HB THR 42 HB THR 42 -7.914 12.743 2.933 250 HG1 THR 42 1HG THR 42 -10.145 11.829 1.445 251 HG21 THR 42 3HG2 THR 42 -8.926 14.864 1.626 252 HG22 THR 42 1HG2 THR 42 -9.404 14.383 3.253 253 HG23 THR 42 2HG2 THR 42 -10.389 13.910 1.869 254 H ALA 43 H ALA 43 -5.803 13.792 2.080 255 HA ALA 43 HA ALA 43 -3.668 12.211 1.208 256 HB1 ALA 43 3HB ALA 43 -2.728 13.043 3.566 257 HB2 ALA 43 1HB ALA 43 -4.107 14.133 3.414 258 HB3 ALA 43 2HB ALA 43 -2.863 14.104 2.163 259 H GLN 44 H GLN 44 -5.809 11.865 3.987 260 HA GLN 44 HA GLN 44 -4.397 9.633 5.088 261 HB2 GLN 44 2HB GLN 44 -6.916 11.084 5.672 262 HB3 GLN 44 1HB GLN 44 -6.845 9.408 6.200 263 HG2 GLN 44 2HG GLN 44 -4.458 10.318 7.083 264 HG3 GLN 44 1HG GLN 44 -5.445 11.773 7.220 265 HE21 GLN 44 1HE2 GLN 44 -4.297 9.454 9.023 266 HE22 GLN 44 2HE2 GLN 44 -5.601 9.184 10.125 267 H ASP 45 H ASP 45 -7.007 10.068 2.813 268 HA ASP 45 HA ASP 45 -7.869 7.358 2.798 269 HB2 ASP 45 2HB ASP 45 -9.057 9.530 1.913 270 HB3 ASP 45 1HB ASP 45 -8.204 9.148 0.421 271 H GLU 46 H GLU 46 -5.489 9.203 1.002 272 HA GLU 46 HA GLU 46 -4.971 7.240 -0.971 273 HB2 GLU 46 2HB GLU 46 -4.229 9.841 -0.609 274 HB3 GLU 46 1HB GLU 46 -2.730 8.999 -0.238 275 HG2 GLU 46 2HG GLU 46 -2.455 9.272 -2.469 276 HG3 GLU 46 1HG GLU 46 -3.308 7.730 -2.481 277 H LYS 47 H LYS 47 -3.438 7.982 2.128 278 HA LYS 47 HA LYS 47 -1.413 6.008 1.867 279 HB2 LYS 47 2HB LYS 47 -1.173 6.296 4.365 280 HB3 LYS 47 1HB LYS 47 -0.984 7.757 3.410 281 HG2 LYS 47 2HG LYS 47 -2.420 8.688 4.825 282 HG3 LYS 47 1HG LYS 47 -3.664 7.750 4.004 283 HD2 LYS 47 2HD LYS 47 -4.033 7.147 6.193 284 HD3 LYS 47 1HD LYS 47 -2.930 5.873 5.673 285 HE2 LYS 47 2HE LYS 47 -1.825 8.378 6.861 286 HE3 LYS 47 1HE LYS 47 -2.521 7.153 7.920 287 HZ1 LYS 47 3HZ LYS 47 -0.998 5.531 6.830 288 HZ2 LYS 47 1HZ LYS 47 -0.213 6.722 7.739 289 HZ3 LYS 47 2HZ LYS 47 -0.242 6.828 6.052 290 H PHE 48 H PHE 48 -4.651 6.019 3.231 291 HA PHE 48 HA PHE 48 -4.470 3.444 4.419 292 HB2 PHE 48 2HB PHE 48 -6.397 5.529 4.275 293 HB3 PHE 48 1HB PHE 48 -7.179 4.047 3.735 294 HD1 PHE 48 1HD PHE 48 -7.094 2.026 5.242 295 HD2 PHE 48 2HD PHE 48 -5.992 5.926 6.542 296 HE1 PHE 48 1HE PHE 48 -7.375 1.320 7.583 297 HE2 PHE 48 2HE PHE 48 -6.270 5.227 8.886 298 HZ PHE 48 HZ PHE 48 -6.962 2.922 9.408 299 H LEU 49 H LEU 49 -5.657 4.606 1.292 300 HA LEU 49 HA LEU 49 -6.573 2.032 0.459 301 HB2 LEU 49 2HB LEU 49 -6.812 3.020 -1.752 302 HB3 LEU 49 1HB LEU 49 -7.498 4.061 -0.520 303 HG LEU 49 HG LEU 49 -5.252 5.324 -0.623 304 HD11 LEU 49 1HD1 LEU 49 -4.833 3.305 -2.628 305 HD12 LEU 49 2HD1 LEU 49 -3.703 4.492 -1.978 306 HD13 LEU 49 3HD1 LEU 49 -4.740 4.915 -3.339 307 HD21 LEU 49 3HD2 LEU 49 -6.098 6.391 -2.884 308 HD22 LEU 49 1HD2 LEU 49 -7.010 6.567 -1.385 309 HD23 LEU 49 2HD2 LEU 49 -7.494 5.359 -2.575 310 H ARG 50 H ARG 50 -3.575 3.819 0.180 311 HA ARG 50 HA ARG 50 -2.331 2.122 -1.716 312 HB2 ARG 50 2HB ARG 50 -1.482 4.286 0.113 313 HB3 ARG 50 1HB ARG 50 -0.228 3.148 -0.359 314 HG2 ARG 50 2HG ARG 50 -1.221 3.627 -2.768 315 HG3 ARG 50 1HG ARG 50 -1.701 5.135 -1.988 316 HD2 ARG 50 2HD ARG 50 0.374 5.919 -2.112 317 HD3 ARG 50 1HD ARG 50 1.008 4.493 -1.293 318 HE ARG 50 HE ARG 50 0.612 3.627 -3.824 319 HH11 ARG 50 1HH1 ARG 50 2.297 6.370 -2.474 320 HH12 ARG 50 2HH1 ARG 50 3.464 6.439 -3.751 321 HH21 ARG 50 1HH2 ARG 50 2.148 3.716 -5.505 322 HH22 ARG 50 2HH2 ARG 50 3.380 4.932 -5.471 323 H GLU 51 H GLU 51 -2.495 2.140 1.800 324 HA GLU 51 HA GLU 51 -0.632 0.004 2.159 325 HB2 GLU 51 2HB GLU 51 -1.649 1.865 3.821 326 HB3 GLU 51 1HB GLU 51 -2.678 0.503 4.242 327 HG2 GLU 51 2HG GLU 51 -0.749 0.642 5.709 328 HG3 GLU 51 1HG GLU 51 -0.720 -0.842 4.757 329 H SER 52 H SER 52 -4.099 0.237 1.743 330 HA SER 52 HA SER 52 -4.303 -2.690 1.980 331 HB2 SER 52 2HB SER 52 -6.715 -0.917 1.983 332 HB3 SER 52 1HB SER 52 -6.472 -2.478 2.767 333 HG SER 52 HG SER 52 -6.412 -0.937 4.354 334 H ALA 53 H ALA 53 -3.256 -1.732 -0.361 335 HA ALA 53 HA ALA 53 -5.491 -2.013 -2.264 336 HB1 ALA 53 3HB ALA 53 -3.111 -0.260 -2.267 337 HB2 ALA 53 1HB ALA 53 -4.731 0.021 -2.906 338 HB3 ALA 53 2HB ALA 53 -3.581 -0.960 -3.817 339 H CYS 54 H CYS 54 -5.531 -3.874 -3.323 340 HA CYS 54 HA CYS 54 -3.451 -5.788 -3.149 341 HB2 CYS 54 2HB CYS 54 -6.044 -5.606 -4.630 342 HB3 CYS 54 1HB CYS 54 -4.897 -6.866 -5.071 343 H GLY 55 H GLY 55 -1.682 -4.411 -3.943 344 HA2 GLY 55 2HA GLY 55 -0.079 -4.100 -5.571 345 HA3 GLY 55 1HA GLY 55 -1.093 -5.014 -6.677 346 H PHE 56 H PHE 56 0.459 -2.461 -6.963 347 HA PHE 56 HA PHE 56 -1.457 -0.361 -7.252 348 HB2 PHE 56 2HB PHE 56 1.223 -0.371 -7.042 349 HB3 PHE 56 1HB PHE 56 1.079 -0.257 -8.794 350 HD1 PHE 56 1HD PHE 56 -0.134 1.333 -5.658 351 HD2 PHE 56 2HD PHE 56 0.756 1.803 -9.794 352 HE1 PHE 56 1HE PHE 56 -0.528 3.754 -5.464 353 HE2 PHE 56 2HE PHE 56 0.367 4.225 -9.607 354 HZ PHE 56 HZ PHE 56 -0.277 5.204 -7.441 355 H ASP 57 H ASP 57 -0.111 -2.812 -9.363 356 HA ASP 57 HA ASP 57 -0.751 -3.565 -11.413 357 HB2 ASP 57 2HB ASP 57 -3.099 -2.800 -10.299 358 HB3 ASP 57 1HB ASP 57 -3.058 -1.733 -11.701 359 H GLY 58 H GLY 58 -1.837 -0.166 -11.495 360 HA2 GLY 58 2HA GLY 58 -0.172 1.424 -12.521 361 HA3 GLY 58 1HA GLY 58 -0.028 0.226 -13.798 362 H GLN 59 H GLN 59 -2.939 -0.358 -13.664 363 HA GLN 59 HA GLN 59 -4.026 2.145 -14.749 364 HB2 GLN 59 2HB GLN 59 -3.671 -0.449 -16.140 365 HB3 GLN 59 1HB GLN 59 -5.198 0.380 -16.408 366 HG2 GLN 59 2HG GLN 59 -2.731 1.990 -16.666 367 HG3 GLN 59 1HG GLN 59 -3.046 0.786 -17.915 368 HE21 GLN 59 1HE2 GLN 59 -3.164 2.728 -19.270 369 HE22 GLN 59 2HE2 GLN 59 -4.675 3.558 -19.393 370 H THR 60 H THR 60 -4.724 -1.150 -13.642 371 HA THR 60 HA THR 60 -7.467 -0.359 -13.004 372 HB THR 60 HB THR 60 -6.202 -3.096 -12.814 373 HG1 THR 60 1HG THR 60 -7.783 -2.014 -14.903 374 HG21 THR 60 3HG2 THR 60 -8.351 -3.998 -12.694 375 HG22 THR 60 1HG2 THR 60 -9.113 -2.472 -13.142 376 HG23 THR 60 2HG2 THR 60 -8.361 -2.651 -11.557 377 HA PRO 61 HA PRO 61 -5.722 0.207 -8.832 378 HB2 PRO 61 2HB PRO 61 -7.787 1.692 -7.893 379 HB3 PRO 61 1HB PRO 61 -6.488 2.376 -8.876 380 HG2 PRO 61 2HG PRO 61 -9.235 1.517 -9.700 381 HG3 PRO 61 1HG PRO 61 -8.334 2.974 -10.159 382 HD2 PRO 61 2HD PRO 61 -8.515 0.808 -11.774 383 HD3 PRO 61 1HD PRO 61 -7.082 1.855 -11.740 384 H LYS 62 H LYS 62 -6.207 -0.737 -6.860 385 HA LYS 62 HA LYS 62 -8.740 -2.204 -6.644 386 HB2 LYS 62 2HB LYS 62 -5.994 -3.327 -6.675 387 HB3 LYS 62 1HB LYS 62 -7.103 -3.990 -5.483 388 HG2 LYS 62 2HG LYS 62 -7.609 -5.398 -7.162 389 HG3 LYS 62 1HG LYS 62 -8.676 -4.082 -7.651 390 HD2 LYS 62 2HD LYS 62 -7.459 -3.617 -9.483 391 HD3 LYS 62 1HD LYS 62 -5.927 -3.829 -8.634 392 HE2 LYS 62 2HE LYS 62 -7.111 -6.379 -8.824 393 HE3 LYS 62 1HE LYS 62 -7.275 -5.625 -10.408 394 HZ1 LYS 62 3HZ LYS 62 -4.901 -5.193 -10.411 395 HZ2 LYS 62 1HZ LYS 62 -5.201 -6.846 -10.214 396 HZ3 LYS 62 2HZ LYS 62 -4.740 -5.905 -8.887 397 H VAL 63 H VAL 63 -9.296 -2.821 -4.463 398 HA VAL 63 HA VAL 63 -7.808 -1.459 -2.340 399 HB VAL 63 HB VAL 63 -10.799 -1.164 -2.619 400 HG11 VAL 63 1HG1 VAL 63 -10.472 0.575 -0.880 401 HG12 VAL 63 2HG1 VAL 63 -8.780 0.088 -0.764 402 HG13 VAL 63 3HG1 VAL 63 -10.056 -1.051 -0.334 403 HG21 VAL 63 3HG2 VAL 63 -9.905 0.099 -4.403 404 HG22 VAL 63 1HG2 VAL 63 -8.574 0.698 -3.413 405 HG23 VAL 63 2HG2 VAL 63 -10.220 1.253 -3.106 406 H CYS 64 H CYS 64 -8.315 -2.219 -0.201 407 HA CYS 64 HA CYS 64 -9.276 -4.990 -0.229 408 HB2 CYS 64 2HB CYS 64 -6.957 -4.258 0.689 409 HB3 CYS 64 1HB CYS 64 -7.866 -3.699 2.088 410 H CYS 65 H CYS 65 -11.193 -5.475 0.598 411 HA CYS 65 HA CYS 65 -12.428 -3.580 2.486 412 HB2 CYS 65 2HB CYS 65 -13.531 -5.048 0.141 413 HB3 CYS 65 1HB CYS 65 -14.589 -4.812 1.528 414 HA PRO 66 HA PRO 66 -12.180 -7.176 5.175 415 HB2 PRO 66 2HB PRO 66 -13.239 -5.999 7.374 416 HB3 PRO 66 1HB PRO 66 -11.574 -5.721 6.851 417 HG2 PRO 66 2HG PRO 66 -14.002 -4.022 6.423 418 HG3 PRO 66 1HG PRO 66 -12.363 -3.532 6.891 419 HD2 PRO 66 2HD PRO 66 -13.284 -3.313 4.352 420 HD3 PRO 66 1HD PRO 66 -11.578 -3.636 4.726 Start of MODEL 3 1 H GLN 11 H GLN 11 -11.689 -10.524 -5.046 2 HA GLN 11 HA GLN 11 -9.924 -12.878 -5.037 3 HB2 GLN 11 2HB GLN 11 -9.644 -10.043 -5.714 4 HB3 GLN 11 1HB GLN 11 -8.470 -10.584 -4.523 5 HG2 GLN 11 2HG GLN 11 -8.753 -12.428 -6.752 6 HG3 GLN 11 1HG GLN 11 -8.239 -10.816 -7.245 7 HE21 GLN 11 1HE2 GLN 11 -6.669 -13.148 -7.445 8 HE22 GLN 11 2HE2 GLN 11 -5.298 -12.961 -6.411 9 H ALA 12 H ALA 12 -8.641 -13.094 -3.122 10 HA ALA 12 HA ALA 12 -9.952 -11.976 -0.730 11 HB1 ALA 12 3HB ALA 12 -8.921 -14.679 -1.360 12 HB2 ALA 12 1HB ALA 12 -10.322 -14.191 -0.407 13 HB3 ALA 12 2HB ALA 12 -8.705 -14.097 0.290 14 H CYS 13 H CYS 13 -8.782 -10.537 0.346 15 HA CYS 13 HA CYS 13 -5.844 -10.800 0.294 16 HB2 CYS 13 2HB CYS 13 -5.642 -8.382 0.322 17 HB3 CYS 13 1HB CYS 13 -6.618 -8.876 -1.057 18 H THR 14 H THR 14 -4.783 -9.627 2.145 19 HA THR 14 HA THR 14 -6.295 -10.190 4.599 20 HB THR 14 HB THR 14 -4.263 -11.471 4.433 21 HG1 THR 14 1HG THR 14 -3.776 -9.311 6.201 22 HG21 THR 14 3HG2 THR 14 -3.175 -9.144 3.231 23 HG22 THR 14 1HG2 THR 14 -2.454 -10.743 3.406 24 HG23 THR 14 2HG2 THR 14 -2.227 -9.531 4.666 25 H LEU 15 H LEU 15 -7.133 -8.492 5.592 26 HA LEU 15 HA LEU 15 -6.596 -5.822 4.988 27 HB2 LEU 15 2HB LEU 15 -7.675 -5.426 7.308 28 HB3 LEU 15 1HB LEU 15 -8.634 -6.151 6.031 29 HG LEU 15 HG LEU 15 -7.242 -8.092 7.744 30 HD11 LEU 15 1HD1 LEU 15 -8.988 -6.006 8.891 31 HD12 LEU 15 2HD1 LEU 15 -7.716 -6.966 9.645 32 HD13 LEU 15 3HD1 LEU 15 -9.312 -7.668 9.384 33 HD21 LEU 15 3HD2 LEU 15 -9.883 -8.707 7.754 34 HD22 LEU 15 1HD2 LEU 15 -8.744 -9.218 6.509 35 HD23 LEU 15 2HD2 LEU 15 -9.751 -7.793 6.251 36 HA PRO 16 HA PRO 16 -2.981 -4.473 7.096 37 HB2 PRO 16 2HB PRO 16 -4.030 -2.511 8.804 38 HB3 PRO 16 1HB PRO 16 -3.466 -2.259 7.151 39 HG2 PRO 16 2HG PRO 16 -6.240 -2.650 8.170 40 HG3 PRO 16 1HG PRO 16 -5.660 -1.623 6.845 41 HD2 PRO 16 2HD PRO 16 -6.919 -3.932 6.360 42 HD3 PRO 16 1HD PRO 16 -5.554 -3.401 5.352 43 H ASN 17 H ASN 17 -5.784 -5.331 8.993 44 HA ASN 17 HA ASN 17 -4.242 -5.652 11.431 45 HB2 ASN 17 2HB ASN 17 -7.041 -5.421 10.744 46 HB3 ASN 17 1HB ASN 17 -6.774 -6.813 11.787 47 HD21 ASN 17 1HD2 ASN 17 -6.236 -3.352 11.479 48 HD22 ASN 17 2HD2 ASN 17 -6.172 -3.025 13.174 49 H ASN 18 H ASN 18 -4.901 -7.498 8.689 50 HA ASN 18 HA ASN 18 -4.471 -9.653 8.123 51 HB2 ASN 18 2HB ASN 18 -2.866 -9.264 10.580 52 HB3 ASN 18 1HB ASN 18 -3.189 -10.937 10.132 53 HD21 ASN 18 1HD2 ASN 18 -1.049 -11.338 9.637 54 HD22 ASN 18 2HD2 ASN 18 -0.289 -10.698 8.223 55 H ASP 19 H ASP 19 -6.722 -10.096 8.170 56 HA ASP 19 HA ASP 19 -7.411 -12.166 10.067 57 HB2 ASP 19 2HB ASP 19 -8.974 -9.586 9.902 58 HB3 ASP 19 1HB ASP 19 -9.616 -11.065 10.611 59 H LYS 20 H LYS 20 -6.990 -11.769 7.137 60 HA LYS 20 HA LYS 20 -7.838 -12.578 5.190 61 HB2 LYS 20 2HB LYS 20 -9.986 -13.855 6.888 62 HB3 LYS 20 1HB LYS 20 -9.473 -14.344 5.277 63 HG2 LYS 20 2HG LYS 20 -7.980 -15.716 6.152 64 HG3 LYS 20 1HG LYS 20 -7.194 -14.363 6.969 65 HD2 LYS 20 2HD LYS 20 -9.212 -14.675 8.651 66 HD3 LYS 20 1HD LYS 20 -9.188 -16.316 8.003 67 HE2 LYS 20 2HE LYS 20 -6.657 -15.026 8.937 68 HE3 LYS 20 1HE LYS 20 -7.770 -15.739 10.104 69 HZ1 LYS 20 3HZ LYS 20 -5.843 -17.110 8.910 70 HZ2 LYS 20 1HZ LYS 20 -7.094 -17.385 7.804 71 HZ3 LYS 20 2HZ LYS 20 -7.288 -17.819 9.426 72 H GLY 21 H GLY 21 -9.134 -11.788 3.604 73 HA2 GLY 21 2HA GLY 21 -11.744 -10.715 4.157 74 HA3 GLY 21 1HA GLY 21 -10.539 -9.470 3.869 75 H THR 22 H THR 22 -11.726 -8.819 2.018 76 HA THR 22 HA THR 22 -11.214 -10.531 -0.316 77 HB THR 22 HB THR 22 -13.683 -8.818 -0.064 78 HG1 THR 22 1HG THR 22 -13.326 -11.537 0.638 79 HG21 THR 22 3HG2 THR 22 -12.772 -9.777 -2.308 80 HG22 THR 22 1HG2 THR 22 -14.492 -9.861 -1.930 81 HG23 THR 22 2HG2 THR 22 -13.472 -11.283 -1.715 82 H CYS 23 H CYS 23 -10.688 -9.452 -2.233 83 HA CYS 23 HA CYS 23 -10.137 -6.575 -1.903 84 HB2 CYS 23 2HB CYS 23 -8.167 -8.252 -2.048 85 HB3 CYS 23 1HB CYS 23 -8.571 -8.342 -3.758 86 H LYS 24 H LYS 24 -11.189 -5.282 -3.221 87 HA LYS 24 HA LYS 24 -11.792 -6.126 -5.947 88 HB2 LYS 24 2HB LYS 24 -14.140 -5.306 -5.727 89 HB3 LYS 24 1HB LYS 24 -13.807 -6.760 -4.795 90 HG2 LYS 24 2HG LYS 24 -13.615 -5.442 -2.764 91 HG3 LYS 24 1HG LYS 24 -13.883 -3.962 -3.685 92 HD2 LYS 24 2HD LYS 24 -16.036 -4.267 -3.102 93 HD3 LYS 24 1HD LYS 24 -16.041 -5.432 -4.425 94 HE2 LYS 24 2HE LYS 24 -15.073 -6.933 -2.364 95 HE3 LYS 24 1HE LYS 24 -16.198 -5.861 -1.530 96 HZ1 LYS 24 3HZ LYS 24 -17.763 -6.550 -3.476 97 HZ2 LYS 24 1HZ LYS 24 -17.570 -7.566 -2.137 98 HZ3 LYS 24 2HZ LYS 24 -16.742 -7.894 -3.573 99 H SER 25 H SER 25 -12.703 -4.241 -7.229 100 HA SER 25 HA SER 25 -10.949 -2.077 -7.117 101 HB2 SER 25 2HB SER 25 -13.493 -2.645 -8.569 102 HB3 SER 25 1HB SER 25 -12.896 -0.986 -8.564 103 HG SER 25 HG SER 25 -11.030 -1.661 -9.544 104 H LEU 26 H LEU 26 -12.013 0.286 -7.187 105 HA LEU 26 HA LEU 26 -13.097 0.668 -4.503 106 HB2 LEU 26 2HB LEU 26 -12.475 3.006 -4.780 107 HB3 LEU 26 1HB LEU 26 -11.116 1.947 -5.109 108 HG LEU 26 HG LEU 26 -12.001 2.241 -7.614 109 HD11 LEU 26 1HD1 LEU 26 -13.016 4.617 -6.101 110 HD12 LEU 26 2HD1 LEU 26 -13.831 3.644 -7.327 111 HD13 LEU 26 3HD1 LEU 26 -12.539 4.749 -7.793 112 HD21 LEU 26 3HD2 LEU 26 -10.154 3.553 -7.966 113 HD22 LEU 26 1HD2 LEU 26 -9.775 2.875 -6.383 114 HD23 LEU 26 2HD2 LEU 26 -10.422 4.512 -6.510 115 H LEU 27 H LEU 27 -14.677 -0.210 -6.940 116 HA LEU 27 HA LEU 27 -16.818 1.766 -6.618 117 HB2 LEU 27 2HB LEU 27 -17.353 1.269 -9.100 118 HB3 LEU 27 1HB LEU 27 -16.098 2.428 -8.710 119 HG LEU 27 HG LEU 27 -14.564 0.248 -8.928 120 HD11 LEU 27 1HD1 LEU 27 -15.363 -1.433 -10.193 121 HD12 LEU 27 2HD1 LEU 27 -16.350 -0.360 -11.185 122 HD13 LEU 27 3HD1 LEU 27 -16.924 -0.869 -9.598 123 HD21 LEU 27 3HD2 LEU 27 -15.485 2.304 -10.843 124 HD22 LEU 27 1HD2 LEU 27 -14.600 0.933 -11.512 125 HD23 LEU 27 2HD2 LEU 27 -13.861 1.935 -10.262 126 H GLN 28 H GLN 28 -16.260 -0.919 -5.508 127 HA GLN 28 HA GLN 28 -18.710 -2.254 -6.450 128 HB2 GLN 28 2HB GLN 28 -16.044 -3.459 -5.738 129 HB3 GLN 28 1HB GLN 28 -17.522 -4.410 -5.711 130 HG2 GLN 28 2HG GLN 28 -17.176 -2.907 -8.179 131 HG3 GLN 28 1HG GLN 28 -15.872 -4.052 -7.870 132 HE21 GLN 28 1HE2 GLN 28 -16.631 -6.267 -7.200 133 HE22 GLN 28 2HE2 GLN 28 -17.984 -6.918 -8.055 134 H CYS 29 H CYS 29 -16.442 -1.857 -3.750 135 HA CYS 29 HA CYS 29 -18.199 -2.975 -1.803 136 HB2 CYS 29 2HB CYS 29 -15.542 -2.392 -1.839 137 HB3 CYS 29 1HB CYS 29 -16.157 -1.053 -0.877 138 H ASP 30 H ASP 30 -19.848 -2.059 -0.761 139 HA ASP 30 HA ASP 30 -20.912 0.413 -1.461 140 HB2 ASP 30 2HB ASP 30 -21.472 -1.653 0.527 141 HB3 ASP 30 1HB ASP 30 -21.903 -0.038 1.084 142 H VAL 31 H VAL 31 -18.775 -0.458 1.197 143 HA VAL 31 HA VAL 31 -18.857 2.062 2.496 144 HB VAL 31 HB VAL 31 -18.098 0.030 3.648 145 HG11 VAL 31 1HG1 VAL 31 -15.571 0.226 2.023 146 HG12 VAL 31 2HG1 VAL 31 -16.878 -0.899 1.661 147 HG13 VAL 31 3HG1 VAL 31 -16.012 -1.018 3.192 148 HG21 VAL 31 3HG2 VAL 31 -17.419 2.024 4.693 149 HG22 VAL 31 1HG2 VAL 31 -16.182 2.339 3.477 150 HG23 VAL 31 2HG2 VAL 31 -15.968 1.023 4.631 151 H ALA 32 H ALA 32 -16.767 0.663 0.031 152 HA ALA 32 HA ALA 32 -14.861 2.744 -0.036 153 HB1 ALA 32 3HB ALA 32 -14.557 0.464 -1.008 154 HB2 ALA 32 1HB ALA 32 -14.094 1.782 -2.084 155 HB3 ALA 32 2HB ALA 32 -15.626 0.942 -2.326 156 H SER 33 H SER 33 -17.924 2.250 -1.684 157 HA SER 33 HA SER 33 -17.670 4.377 -3.530 158 HB2 SER 33 2HB SER 33 -20.344 4.147 -3.302 159 HB3 SER 33 1HB SER 33 -19.359 3.015 -4.229 160 HG SER 33 HG SER 33 -20.399 2.717 -1.617 161 H LYS 34 H LYS 34 -18.922 4.199 -0.243 162 HA LYS 34 HA LYS 34 -20.072 6.798 -0.247 163 HB2 LYS 34 2HB LYS 34 -20.373 6.520 2.108 164 HB3 LYS 34 1HB LYS 34 -20.691 4.970 1.344 165 HG2 LYS 34 2HG LYS 34 -18.930 3.968 2.333 166 HG3 LYS 34 1HG LYS 34 -17.934 5.421 2.303 167 HD2 LYS 34 2HD LYS 34 -18.345 5.503 4.508 168 HD3 LYS 34 1HD LYS 34 -19.920 6.140 4.030 169 HE2 LYS 34 2HE LYS 34 -19.322 3.213 4.435 170 HE3 LYS 34 1HE LYS 34 -20.020 4.260 5.669 171 HZ1 LYS 34 3HZ LYS 34 -21.365 4.282 3.098 172 HZ2 LYS 34 1HZ LYS 34 -22.013 4.263 4.660 173 HZ3 LYS 34 2HZ LYS 34 -21.466 2.826 3.953 174 H ILE 35 H ILE 35 -16.874 5.563 0.463 175 HA ILE 35 HA ILE 35 -15.899 7.929 1.718 176 HB ILE 35 HB ILE 35 -14.302 5.778 0.325 177 HG12 ILE 35 2HG1 ILE 35 -14.698 5.905 3.288 178 HG13 ILE 35 1HG1 ILE 35 -15.963 5.196 2.289 179 HG21 ILE 35 1HG2 ILE 35 -13.147 7.146 2.634 180 HG22 ILE 35 2HG2 ILE 35 -13.434 8.200 1.250 181 HG23 ILE 35 3HG2 ILE 35 -12.433 6.760 1.069 182 HD11 ILE 35 3HD1 ILE 35 -13.892 3.825 3.332 183 HD12 ILE 35 1HD1 ILE 35 -13.252 4.223 1.738 184 HD13 ILE 35 2HD1 ILE 35 -14.773 3.342 1.882 185 H ILE 36 H ILE 36 -15.965 6.742 -1.591 186 HA ILE 36 HA ILE 36 -14.287 8.805 -2.645 187 HB ILE 36 HB ILE 36 -16.231 7.011 -4.103 188 HG12 ILE 36 2HG1 ILE 36 -14.413 5.880 -2.737 189 HG13 ILE 36 1HG1 ILE 36 -14.434 5.493 -4.453 190 HG21 ILE 36 1HG2 ILE 36 -14.430 9.131 -4.976 191 HG22 ILE 36 2HG2 ILE 36 -15.773 8.363 -5.821 192 HG23 ILE 36 3HG2 ILE 36 -14.180 7.606 -5.825 193 HD11 ILE 36 3HD1 ILE 36 -12.334 6.147 -4.646 194 HD12 ILE 36 1HD1 ILE 36 -12.293 6.452 -2.909 195 HD13 ILE 36 2HD1 ILE 36 -12.740 7.746 -4.022 196 H SER 37 H SER 37 -17.679 8.495 -1.970 197 HA SER 37 HA SER 37 -18.238 10.976 -3.441 198 HB2 SER 37 2HB SER 37 -20.419 9.362 -2.198 199 HB3 SER 37 1HB SER 37 -20.424 10.295 -3.694 200 HG SER 37 HG SER 37 -19.525 7.692 -3.215 201 H LYS 38 H LYS 38 -17.339 10.086 -0.418 202 HA LYS 38 HA LYS 38 -19.174 11.466 1.224 203 HB2 LYS 38 2HB LYS 38 -16.912 9.880 1.614 204 HB3 LYS 38 1HB LYS 38 -16.481 11.441 2.298 205 HG2 LYS 38 2HG LYS 38 -19.098 10.187 2.988 206 HG3 LYS 38 1HG LYS 38 -17.615 9.649 3.782 207 HD2 LYS 38 2HD LYS 38 -17.203 12.147 4.241 208 HD3 LYS 38 1HD LYS 38 -18.910 12.356 3.844 209 HE2 LYS 38 2HE LYS 38 -18.603 10.162 5.660 210 HE3 LYS 38 1HE LYS 38 -17.783 11.583 6.306 211 HZ1 LYS 38 3HZ LYS 38 -19.918 11.849 7.077 212 HZ2 LYS 38 1HZ LYS 38 -20.635 11.211 5.683 213 HZ3 LYS 38 2HZ LYS 38 -19.973 12.767 5.657 214 H LYS 39 H LYS 39 -15.790 12.450 0.870 215 HA LYS 39 HA LYS 39 -16.162 14.931 -0.304 216 HB2 LYS 39 2HB LYS 39 -17.329 14.983 2.188 217 HB3 LYS 39 1HB LYS 39 -15.734 15.649 2.506 218 HG2 LYS 39 2HG LYS 39 -17.251 17.438 2.034 219 HG3 LYS 39 1HG LYS 39 -16.101 17.296 0.702 220 HD2 LYS 39 2HD LYS 39 -18.061 17.501 -0.467 221 HD3 LYS 39 1HD LYS 39 -17.975 15.746 -0.309 222 HE2 LYS 39 2HE LYS 39 -20.215 16.668 0.207 223 HE3 LYS 39 1HE LYS 39 -19.494 15.787 1.554 224 HZ1 LYS 39 3HZ LYS 39 -18.974 18.644 1.484 225 HZ2 LYS 39 1HZ LYS 39 -19.342 17.640 2.796 226 HZ3 LYS 39 2HZ LYS 39 -20.577 18.201 1.788 227 HA PRO 40 HA PRO 40 -11.927 15.061 2.144 228 HB2 PRO 40 2HB PRO 40 -11.380 12.665 3.430 229 HB3 PRO 40 1HB PRO 40 -11.947 14.138 4.223 230 HG2 PRO 40 2HG PRO 40 -13.497 11.737 3.352 231 HG3 PRO 40 1HG PRO 40 -13.671 12.716 4.821 232 HD2 PRO 40 2HD PRO 40 -15.367 12.982 2.773 233 HD3 PRO 40 1HD PRO 40 -14.841 14.391 3.717 234 H ARG 41 H ARG 41 -10.287 14.727 0.793 235 HA ARG 41 HA ARG 41 -9.557 12.176 -0.219 236 HB2 ARG 41 2HB ARG 41 -11.538 12.646 -1.646 237 HB3 ARG 41 1HB ARG 41 -10.742 14.104 -2.225 238 HG2 ARG 41 2HG ARG 41 -8.841 12.226 -2.721 239 HG3 ARG 41 1HG ARG 41 -10.324 11.303 -2.969 240 HD2 ARG 41 2HD ARG 41 -10.388 13.961 -4.177 241 HD3 ARG 41 1HD ARG 41 -9.115 12.927 -4.822 242 HE ARG 41 HE ARG 41 -11.686 11.648 -4.669 243 HH11 ARG 41 1HH1 ARG 41 -9.594 13.651 -6.616 244 HH12 ARG 41 2HH1 ARG 41 -10.363 13.222 -8.106 245 HH21 ARG 41 1HH2 ARG 41 -12.699 11.082 -6.630 246 HH22 ARG 41 2HH2 ARG 41 -12.125 11.763 -8.115 247 H THR 42 H THR 42 -7.684 13.131 0.868 248 HA THR 42 HA THR 42 -6.227 15.005 -0.880 249 HB THR 42 HB THR 42 -4.895 15.123 1.510 250 HG1 THR 42 1HG THR 42 -6.213 14.263 2.908 251 HG21 THR 42 3HG2 THR 42 -7.119 16.821 0.446 252 HG22 THR 42 1HG2 THR 42 -5.384 17.136 0.442 253 HG23 THR 42 2HG2 THR 42 -6.288 17.204 1.955 254 H ALA 43 H ALA 43 -3.703 14.761 -0.028 255 HA ALA 43 HA ALA 43 -2.756 12.466 -1.285 256 HB1 ALA 43 3HB ALA 43 -0.956 13.768 -1.198 257 HB2 ALA 43 1HB ALA 43 -0.729 13.229 0.466 258 HB3 ALA 43 2HB ALA 43 -1.624 14.710 0.134 259 H GLN 44 H GLN 44 -3.557 13.042 2.077 260 HA GLN 44 HA GLN 44 -2.310 10.749 3.158 261 HB2 GLN 44 2HB GLN 44 -4.008 12.874 4.092 262 HB3 GLN 44 1HB GLN 44 -4.598 11.338 4.710 263 HG2 GLN 44 2HG GLN 44 -2.868 11.091 6.104 264 HG3 GLN 44 1HG GLN 44 -1.701 11.682 4.922 265 HE21 GLN 44 1HE2 GLN 44 -0.814 12.709 6.880 266 HE22 GLN 44 2HE2 GLN 44 -1.428 14.257 7.338 267 H ASP 45 H ASP 45 -5.382 11.286 1.587 268 HA ASP 45 HA ASP 45 -6.598 8.838 2.370 269 HB2 ASP 45 2HB ASP 45 -7.584 11.058 1.268 270 HB3 ASP 45 1HB ASP 45 -7.349 10.127 -0.209 271 H GLU 46 H GLU 46 -4.570 9.826 -0.318 272 HA GLU 46 HA GLU 46 -4.911 7.518 -1.904 273 HB2 GLU 46 2HB GLU 46 -3.273 9.898 -1.936 274 HB3 GLU 46 1HB GLU 46 -2.322 8.491 -2.387 275 HG2 GLU 46 2HG GLU 46 -4.955 8.698 -3.674 276 HG3 GLU 46 1HG GLU 46 -3.794 9.951 -4.106 277 H LYS 47 H LYS 47 -2.544 8.373 0.578 278 HA LYS 47 HA LYS 47 -0.991 6.015 0.309 279 HB2 LYS 47 2HB LYS 47 -0.051 6.647 2.516 280 HB3 LYS 47 1HB LYS 47 -0.043 7.973 1.362 281 HG2 LYS 47 2HG LYS 47 -1.947 8.979 2.418 282 HG3 LYS 47 1HG LYS 47 -2.130 7.594 3.495 283 HD2 LYS 47 2HD LYS 47 -1.052 9.307 4.745 284 HD3 LYS 47 1HD LYS 47 0.175 8.097 4.365 285 HE2 LYS 47 2HE LYS 47 -0.144 10.301 2.425 286 HE3 LYS 47 1HE LYS 47 0.525 10.736 3.996 287 HZ1 LYS 47 3HZ LYS 47 2.437 10.132 3.007 288 HZ2 LYS 47 1HZ LYS 47 1.682 9.135 1.867 289 HZ3 LYS 47 2HZ LYS 47 1.955 8.569 3.438 290 H PHE 48 H PHE 48 -3.751 6.895 2.299 291 HA PHE 48 HA PHE 48 -3.721 4.574 3.931 292 HB2 PHE 48 2HB PHE 48 -4.906 6.637 4.574 293 HB3 PHE 48 1HB PHE 48 -6.033 6.404 3.242 294 HD1 PHE 48 2HD PHE 48 -7.610 4.496 3.285 295 HD2 PHE 48 1HD PHE 48 -5.148 5.466 6.616 296 HE1 PHE 48 2HE PHE 48 -9.054 3.138 4.743 297 HE2 PHE 48 1HE PHE 48 -6.586 4.110 8.081 298 HZ PHE 48 HZ PHE 48 -8.542 2.944 7.144 299 H LEU 49 H LEU 49 -5.204 5.372 0.851 300 HA LEU 49 HA LEU 49 -6.867 3.084 0.687 301 HB2 LEU 49 2HB LEU 49 -7.652 4.257 -1.030 302 HB3 LEU 49 1HB LEU 49 -6.319 5.382 -0.881 303 HG LEU 49 HG LEU 49 -4.986 3.793 -2.360 304 HD11 LEU 49 1HD1 LEU 49 -6.860 2.577 -3.871 305 HD12 LEU 49 2HD1 LEU 49 -7.589 2.425 -2.273 306 HD13 LEU 49 3HD1 LEU 49 -5.974 1.782 -2.570 307 HD21 LEU 49 3HD2 LEU 49 -5.798 5.868 -3.233 308 HD22 LEU 49 1HD2 LEU 49 -7.426 5.215 -3.413 309 HD23 LEU 49 2HD2 LEU 49 -6.115 4.610 -4.428 310 H ARG 50 H ARG 50 -3.569 3.769 -0.319 311 HA ARG 50 HA ARG 50 -3.158 1.377 -1.775 312 HB2 ARG 50 2HB ARG 50 -1.266 3.324 -0.466 313 HB3 ARG 50 1HB ARG 50 -0.699 1.911 -1.345 314 HG2 ARG 50 2HG ARG 50 -2.186 2.842 -3.265 315 HG3 ARG 50 1HG ARG 50 -2.057 4.358 -2.371 316 HD2 ARG 50 2HD ARG 50 0.260 2.684 -3.334 317 HD3 ARG 50 1HD ARG 50 -0.330 4.154 -4.107 318 HE ARG 50 HE ARG 50 0.382 4.505 -1.345 319 HH11 ARG 50 1HH1 ARG 50 1.570 4.486 -4.626 320 HH12 ARG 50 2HH1 ARG 50 2.927 5.503 -4.275 321 HH21 ARG 50 1HH2 ARG 50 2.165 5.845 -0.880 322 HH22 ARG 50 2HH2 ARG 50 3.264 6.275 -2.148 323 H GLU 51 H GLU 51 -2.731 2.257 1.601 324 HA GLU 51 HA GLU 51 -1.333 -0.037 2.433 325 HB2 GLU 51 2HB GLU 51 -2.897 2.107 3.756 326 HB3 GLU 51 1HB GLU 51 -2.684 0.620 4.669 327 HG2 GLU 51 2HG GLU 51 -0.741 1.452 5.336 328 HG3 GLU 51 1HG GLU 51 -0.156 1.150 3.700 329 H SER 52 H SER 52 -4.751 0.629 2.012 330 HA SER 52 HA SER 52 -5.420 -2.073 2.934 331 HB2 SER 52 2HB SER 52 -7.428 0.027 2.146 332 HB3 SER 52 1HB SER 52 -7.636 -1.341 3.239 333 HG SER 52 HG SER 52 -6.402 -0.295 4.763 334 H ALA 53 H ALA 53 -4.047 -1.867 0.504 335 HA ALA 53 HA ALA 53 -6.110 -2.842 -1.346 336 HB1 ALA 53 3HB ALA 53 -3.784 -1.265 -2.380 337 HB2 ALA 53 1HB ALA 53 -5.248 -0.454 -1.824 338 HB3 ALA 53 2HB ALA 53 -5.330 -1.612 -3.154 339 H CYS 54 H CYS 54 -5.632 -4.728 -2.294 340 HA CYS 54 HA CYS 54 -3.248 -6.117 -1.527 341 HB2 CYS 54 2HB CYS 54 -4.179 -7.993 -2.804 342 HB3 CYS 54 1HB CYS 54 -5.387 -7.295 -1.734 343 H GLY 55 H GLY 55 -2.003 -4.228 -2.634 344 HA2 GLY 55 2HA GLY 55 -0.167 -4.413 -4.212 345 HA3 GLY 55 1HA GLY 55 -1.284 -5.173 -5.336 346 H PHE 56 H PHE 56 0.024 -3.294 -6.501 347 HA PHE 56 HA PHE 56 -1.918 -1.152 -6.828 348 HB2 PHE 56 2HB PHE 56 0.011 -0.534 -5.152 349 HB3 PHE 56 1HB PHE 56 0.954 -0.333 -6.624 350 HD1 PHE 56 2HD PHE 56 -2.321 0.686 -5.165 351 HD2 PHE 56 1HD PHE 56 0.980 1.728 -7.639 352 HE1 PHE 56 2HE PHE 56 -3.252 2.947 -5.446 353 HE2 PHE 56 1HE PHE 56 0.057 3.990 -7.925 354 HZ PHE 56 HZ PHE 56 -2.061 4.603 -6.829 355 H ASP 57 H ASP 57 -2.263 -0.807 -8.919 356 HA ASP 57 HA ASP 57 -0.164 -1.606 -10.829 357 HB2 ASP 57 2HB ASP 57 -3.093 -2.087 -10.786 358 HB3 ASP 57 1HB ASP 57 -2.376 -1.725 -12.353 359 H GLY 58 H GLY 58 -2.753 0.698 -10.137 360 HA2 GLY 58 2HA GLY 58 -2.292 3.058 -10.520 361 HA3 GLY 58 1HA GLY 58 -1.422 2.588 -11.973 362 H GLN 59 H GLN 59 -2.946 1.151 -13.466 363 HA GLN 59 HA GLN 59 -5.030 2.914 -14.303 364 HB2 GLN 59 2HB GLN 59 -3.502 1.270 -15.682 365 HB3 GLN 59 1HB GLN 59 -4.788 0.120 -15.346 366 HG2 GLN 59 2HG GLN 59 -5.839 0.911 -17.124 367 HG3 GLN 59 1HG GLN 59 -6.108 2.400 -16.219 368 HE21 GLN 59 1HE2 GLN 59 -5.719 1.974 -19.086 369 HE22 GLN 59 2HE2 GLN 59 -4.365 2.951 -19.531 370 H THR 60 H THR 60 -4.995 -0.390 -12.986 371 HA THR 60 HA THR 60 -7.885 -0.174 -12.508 372 HB THR 60 HB THR 60 -6.101 -2.616 -12.468 373 HG1 THR 60 1HG THR 60 -8.044 -1.857 -14.383 374 HG21 THR 60 3HG2 THR 60 -8.116 -3.930 -12.453 375 HG22 THR 60 1HG2 THR 60 -9.104 -2.469 -12.422 376 HG23 THR 60 2HG2 THR 60 -8.084 -2.873 -11.041 377 HA PRO 61 HA PRO 61 -6.191 0.537 -8.292 378 HB2 PRO 61 2HB PRO 61 -8.366 1.927 -7.423 379 HB3 PRO 61 1HB PRO 61 -7.026 2.675 -8.300 380 HG2 PRO 61 2HG PRO 61 -9.692 1.777 -9.321 381 HG3 PRO 61 1HG PRO 61 -8.794 3.261 -9.690 382 HD2 PRO 61 2HD PRO 61 -8.831 1.144 -11.366 383 HD3 PRO 61 1HD PRO 61 -7.411 2.197 -11.203 384 H LYS 62 H LYS 62 -6.555 -0.684 -6.512 385 HA LYS 62 HA LYS 62 -9.106 -2.136 -6.327 386 HB2 LYS 62 2HB LYS 62 -7.838 -4.123 -5.534 387 HB3 LYS 62 1HB LYS 62 -7.505 -3.704 -7.209 388 HG2 LYS 62 2HG LYS 62 -5.720 -2.641 -5.077 389 HG3 LYS 62 1HG LYS 62 -5.569 -4.330 -5.565 390 HD2 LYS 62 2HD LYS 62 -5.737 -2.419 -7.788 391 HD3 LYS 62 1HD LYS 62 -4.304 -2.244 -6.773 392 HE2 LYS 62 2HE LYS 62 -4.375 -4.929 -7.078 393 HE3 LYS 62 1HE LYS 62 -5.080 -4.414 -8.609 394 HZ1 LYS 62 3HZ LYS 62 -2.467 -4.628 -8.200 395 HZ2 LYS 62 1HZ LYS 62 -2.681 -3.005 -7.773 396 HZ3 LYS 62 2HZ LYS 62 -3.141 -3.542 -9.309 397 H VAL 63 H VAL 63 -9.618 -2.918 -4.176 398 HA VAL 63 HA VAL 63 -8.167 -1.643 -1.981 399 HB VAL 63 HB VAL 63 -11.164 -1.391 -2.244 400 HG11 VAL 63 1HG1 VAL 63 -10.471 -1.395 0.042 401 HG12 VAL 63 2HG1 VAL 63 -10.843 0.270 -0.406 402 HG13 VAL 63 3HG1 VAL 63 -9.165 -0.260 -0.296 403 HG21 VAL 63 3HG2 VAL 63 -10.825 0.948 -2.772 404 HG22 VAL 63 1HG2 VAL 63 -10.005 -0.060 -3.964 405 HG23 VAL 63 2HG2 VAL 63 -9.076 0.739 -2.695 406 H CYS 64 H CYS 64 -8.725 -2.523 0.125 407 HA CYS 64 HA CYS 64 -9.588 -5.318 -0.099 408 HB2 CYS 64 2HB CYS 64 -7.716 -3.860 1.704 409 HB3 CYS 64 1HB CYS 64 -8.552 -5.269 2.349 410 H CYS 65 H CYS 65 -11.483 -5.917 0.665 411 HA CYS 65 HA CYS 65 -12.766 -4.281 2.748 412 HB2 CYS 65 2HB CYS 65 -13.796 -5.222 0.137 413 HB3 CYS 65 1HB CYS 65 -14.902 -5.369 1.497 414 HA PRO 66 HA PRO 66 -12.509 -8.280 4.808 415 HB2 PRO 66 2HB PRO 66 -13.722 -7.465 7.121 416 HB3 PRO 66 1HB PRO 66 -12.014 -7.196 6.761 417 HG2 PRO 66 2HG PRO 66 -14.327 -5.318 6.484 418 HG3 PRO 66 1HG PRO 66 -12.695 -5.002 7.103 419 HD2 PRO 66 2HD PRO 66 -13.439 -4.299 4.612 420 HD3 PRO 66 1HD PRO 66 -11.788 -4.838 4.982 Start of MODEL 4 1 H GLN 11 H GLN 11 -11.114 -10.879 -5.299 2 HA GLN 11 HA GLN 11 -10.159 -13.636 -4.999 3 HB2 GLN 11 2HB GLN 11 -8.824 -12.407 -6.697 4 HB3 GLN 11 1HB GLN 11 -8.531 -11.137 -5.516 5 HG2 GLN 11 2HG GLN 11 -7.602 -13.115 -4.076 6 HG3 GLN 11 1HG GLN 11 -7.432 -13.899 -5.647 7 HE21 GLN 11 1HE2 GLN 11 -5.197 -13.509 -4.271 8 HE22 GLN 11 2HE2 GLN 11 -4.258 -12.223 -4.940 9 H ALA 12 H ALA 12 -9.195 -13.988 -2.985 10 HA ALA 12 HA ALA 12 -10.189 -12.322 -0.866 11 HB1 ALA 12 3HB ALA 12 -10.229 -14.689 -0.530 12 HB2 ALA 12 1HB ALA 12 -9.071 -13.999 0.607 13 HB3 ALA 12 2HB ALA 12 -8.499 -14.818 -0.847 14 H CYS 13 H CYS 13 -9.158 -10.745 0.157 15 HA CYS 13 HA CYS 13 -6.234 -10.547 -0.126 16 HB2 CYS 13 2HB CYS 13 -6.945 -8.834 -1.528 17 HB3 CYS 13 1HB CYS 13 -8.355 -8.471 -0.542 18 H THR 14 H THR 14 -5.128 -9.482 1.601 19 HA THR 14 HA THR 14 -6.485 -9.847 4.167 20 HB THR 14 HB THR 14 -4.383 -11.014 3.948 21 HG1 THR 14 1HG THR 14 -3.964 -8.724 5.562 22 HG21 THR 14 3HG2 THR 14 -3.522 -8.717 2.540 23 HG22 THR 14 1HG2 THR 14 -2.671 -10.238 2.798 24 HG23 THR 14 2HG2 THR 14 -2.484 -8.917 3.951 25 H LEU 15 H LEU 15 -7.371 -8.130 5.077 26 HA LEU 15 HA LEU 15 -7.006 -5.481 4.257 27 HB2 LEU 15 2HB LEU 15 -8.029 -4.988 6.593 28 HB3 LEU 15 1HB LEU 15 -8.991 -5.818 5.385 29 HG LEU 15 HG LEU 15 -7.470 -7.598 7.168 30 HD11 LEU 15 1HD1 LEU 15 -9.525 -7.178 8.828 31 HD12 LEU 15 2HD1 LEU 15 -9.296 -5.534 8.232 32 HD13 LEU 15 3HD1 LEU 15 -7.961 -6.384 9.010 33 HD21 LEU 15 3HD2 LEU 15 -8.943 -8.872 6.052 34 HD22 LEU 15 1HD2 LEU 15 -10.007 -7.509 5.701 35 HD23 LEU 15 2HD2 LEU 15 -10.093 -8.315 7.268 36 HA PRO 16 HA PRO 16 -3.416 -3.787 6.143 37 HB2 PRO 16 2HB PRO 16 -4.538 -1.812 7.799 38 HB3 PRO 16 1HB PRO 16 -4.029 -1.606 6.121 39 HG2 PRO 16 2HG PRO 16 -6.748 -2.106 7.232 40 HG3 PRO 16 1HG PRO 16 -6.264 -1.126 5.837 41 HD2 PRO 16 2HD PRO 16 -7.394 -3.527 5.514 42 HD3 PRO 16 1HD PRO 16 -6.090 -2.977 4.441 43 H ASN 17 H ASN 17 -6.084 -4.704 8.208 44 HA ASN 17 HA ASN 17 -4.458 -4.766 10.599 45 HB2 ASN 17 2HB ASN 17 -7.181 -4.556 10.117 46 HB3 ASN 17 1HB ASN 17 -7.001 -6.191 10.748 47 HD21 ASN 17 1HD2 ASN 17 -8.139 -5.581 12.613 48 HD22 ASN 17 2HD2 ASN 17 -7.387 -4.654 13.862 49 H ASN 18 H ASN 18 -5.168 -6.873 8.005 50 HA ASN 18 HA ASN 18 -4.462 -8.980 7.522 51 HB2 ASN 18 2HB ASN 18 -2.400 -8.185 8.830 52 HB3 ASN 18 1HB ASN 18 -3.062 -9.093 10.188 53 HD21 ASN 18 1HD2 ASN 18 -3.324 -11.367 9.959 54 HD22 ASN 18 2HD2 ASN 18 -2.342 -12.254 8.850 55 H ASP 19 H ASP 19 -6.614 -9.700 7.668 56 HA ASP 19 HA ASP 19 -7.011 -11.734 9.662 57 HB2 ASP 19 2HB ASP 19 -8.501 -9.160 9.758 58 HB3 ASP 19 1HB ASP 19 -9.422 -10.634 10.042 59 H LYS 20 H LYS 20 -6.794 -11.437 6.734 60 HA LYS 20 HA LYS 20 -7.687 -12.373 4.864 61 HB2 LYS 20 2HB LYS 20 -9.721 -13.675 6.675 62 HB3 LYS 20 1HB LYS 20 -9.188 -14.223 5.091 63 HG2 LYS 20 2HG LYS 20 -7.346 -15.221 5.908 64 HG3 LYS 20 1HG LYS 20 -7.069 -13.963 7.115 65 HD2 LYS 20 2HD LYS 20 -9.002 -14.902 8.406 66 HD3 LYS 20 1HD LYS 20 -9.035 -16.245 7.260 67 HE2 LYS 20 2HE LYS 20 -6.389 -15.693 8.387 68 HE3 LYS 20 1HE LYS 20 -7.591 -16.181 9.580 69 HZ1 LYS 20 3HZ LYS 20 -6.498 -18.117 8.750 70 HZ2 LYS 20 1HZ LYS 20 -6.793 -17.676 7.144 71 HZ3 LYS 20 2HZ LYS 20 -8.079 -18.121 8.149 72 H GLY 21 H GLY 21 -9.200 -11.845 3.312 73 HA2 GLY 21 2HA GLY 21 -11.798 -10.861 3.933 74 HA3 GLY 21 1HA GLY 21 -10.692 -9.534 3.616 75 H THR 22 H THR 22 -11.780 -8.886 1.770 76 HA THR 22 HA THR 22 -11.390 -10.641 -0.554 77 HB THR 22 HB THR 22 -13.722 -8.784 -0.512 78 HG1 THR 22 1HG THR 22 -14.838 -9.953 0.833 79 HG21 THR 22 3HG2 THR 22 -14.763 -10.750 -1.710 80 HG22 THR 22 1HG2 THR 22 -13.142 -11.442 -1.766 81 HG23 THR 22 2HG2 THR 22 -13.470 -9.900 -2.555 82 H CYS 23 H CYS 23 -10.861 -9.616 -2.495 83 HA CYS 23 HA CYS 23 -10.164 -6.764 -2.232 84 HB2 CYS 23 2HB CYS 23 -8.054 -7.468 -2.544 85 HB3 CYS 23 1HB CYS 23 -8.574 -9.074 -3.029 86 H LYS 24 H LYS 24 -11.224 -5.456 -3.535 87 HA LYS 24 HA LYS 24 -11.931 -6.316 -6.230 88 HB2 LYS 24 2HB LYS 24 -14.249 -5.524 -5.990 89 HB3 LYS 24 1HB LYS 24 -13.909 -6.879 -4.922 90 HG2 LYS 24 2HG LYS 24 -13.566 -5.259 -3.070 91 HG3 LYS 24 1HG LYS 24 -14.086 -3.974 -4.162 92 HD2 LYS 24 2HD LYS 24 -16.134 -4.410 -3.340 93 HD3 LYS 24 1HD LYS 24 -16.103 -5.774 -4.460 94 HE2 LYS 24 2HE LYS 24 -15.211 -7.200 -2.667 95 HE3 LYS 24 1HE LYS 24 -15.294 -5.835 -1.554 96 HZ1 LYS 24 3HZ LYS 24 -17.697 -5.764 -1.905 97 HZ2 LYS 24 1HZ LYS 24 -17.206 -7.262 -1.291 98 HZ3 LYS 24 2HZ LYS 24 -17.599 -7.107 -2.929 99 H SER 25 H SER 25 -12.871 -4.408 -7.485 100 HA SER 25 HA SER 25 -11.054 -2.254 -7.348 101 HB2 SER 25 2HB SER 25 -12.211 -3.007 -9.429 102 HB3 SER 25 1HB SER 25 -13.713 -2.329 -8.799 103 HG SER 25 HG SER 25 -11.342 -0.813 -9.135 104 H LEU 26 H LEU 26 -12.239 0.089 -7.591 105 HA LEU 26 HA LEU 26 -13.406 0.522 -4.949 106 HB2 LEU 26 2HB LEU 26 -12.915 2.883 -5.324 107 HB3 LEU 26 1HB LEU 26 -11.492 1.888 -5.557 108 HG LEU 26 HG LEU 26 -12.247 2.004 -8.095 109 HD11 LEU 26 1HD1 LEU 26 -14.200 3.223 -8.066 110 HD12 LEU 26 2HD1 LEU 26 -13.003 4.478 -8.392 111 HD13 LEU 26 3HD1 LEU 26 -13.649 4.277 -6.763 112 HD21 LEU 26 3HD2 LEU 26 -10.964 4.452 -6.948 113 HD22 LEU 26 1HD2 LEU 26 -10.571 3.574 -8.425 114 HD23 LEU 26 2HD2 LEU 26 -10.157 2.888 -6.855 115 H LEU 27 H LEU 27 -14.952 -0.603 -7.230 116 HA LEU 27 HA LEU 27 -17.090 1.419 -7.261 117 HB2 LEU 27 2HB LEU 27 -16.302 -0.432 -9.512 118 HB3 LEU 27 1HB LEU 27 -17.724 0.594 -9.511 119 HG LEU 27 HG LEU 27 -14.928 1.690 -9.279 120 HD11 LEU 27 1HD1 LEU 27 -14.665 1.735 -11.519 121 HD12 LEU 27 2HD1 LEU 27 -16.389 1.937 -11.827 122 HD13 LEU 27 3HD1 LEU 27 -15.741 0.339 -11.455 123 HD21 LEU 27 3HD2 LEU 27 -17.656 2.813 -9.461 124 HD22 LEU 27 1HD2 LEU 27 -16.401 3.623 -10.398 125 HD23 LEU 27 2HD2 LEU 27 -16.219 3.440 -8.654 126 H GLN 28 H GLN 28 -16.676 -0.773 -5.424 127 HA GLN 28 HA GLN 28 -19.270 -2.024 -5.696 128 HB2 GLN 28 2HB GLN 28 -16.702 -3.587 -5.803 129 HB3 GLN 28 1HB GLN 28 -18.190 -4.315 -5.215 130 HG2 GLN 28 2HG GLN 28 -19.223 -3.571 -7.423 131 HG3 GLN 28 1HG GLN 28 -17.569 -3.292 -7.961 132 HE21 GLN 28 1HE2 GLN 28 -19.740 -5.269 -8.686 133 HE22 GLN 28 2HE2 GLN 28 -18.948 -6.804 -8.627 134 H CYS 29 H CYS 29 -16.237 -1.863 -3.869 135 HA CYS 29 HA CYS 29 -17.090 -2.862 -1.436 136 HB2 CYS 29 2HB CYS 29 -14.962 -0.987 -2.309 137 HB3 CYS 29 1HB CYS 29 -15.367 -0.975 -0.596 138 H ASP 30 H ASP 30 -18.534 -2.223 0.018 139 HA ASP 30 HA ASP 30 -20.107 0.094 -0.333 140 HB2 ASP 30 2HB ASP 30 -19.903 -2.065 1.695 141 HB3 ASP 30 1HB ASP 30 -20.674 -0.568 2.210 142 H VAL 31 H VAL 31 -17.329 -0.625 1.692 143 HA VAL 31 HA VAL 31 -17.465 1.710 3.293 144 HB VAL 31 HB VAL 31 -14.993 0.110 2.623 145 HG11 VAL 31 1HG1 VAL 31 -13.910 1.236 4.245 146 HG12 VAL 31 2HG1 VAL 31 -15.339 1.338 5.275 147 HG13 VAL 31 3HG1 VAL 31 -15.132 2.468 3.937 148 HG21 VAL 31 3HG2 VAL 31 -16.373 -0.406 5.164 149 HG22 VAL 31 1HG2 VAL 31 -15.603 -1.527 4.038 150 HG23 VAL 31 2HG2 VAL 31 -17.239 -0.945 3.726 151 H ALA 32 H ALA 32 -15.860 0.939 0.257 152 HA ALA 32 HA ALA 32 -14.335 3.303 0.054 153 HB1 ALA 32 3HB ALA 32 -14.658 2.643 -2.523 154 HB2 ALA 32 1HB ALA 32 -15.134 1.121 -1.769 155 HB3 ALA 32 2HB ALA 32 -13.541 1.806 -1.445 156 H SER 33 H SER 33 -17.611 2.480 -0.907 157 HA SER 33 HA SER 33 -18.121 4.795 -2.443 158 HB2 SER 33 2HB SER 33 -19.911 2.806 -1.063 159 HB3 SER 33 1HB SER 33 -20.564 4.188 -1.941 160 HG SER 33 HG SER 33 -19.801 1.875 -2.931 161 H LYS 34 H LYS 34 -18.535 4.066 0.985 162 HA LYS 34 HA LYS 34 -19.961 6.432 1.614 163 HB2 LYS 34 2HB LYS 34 -19.602 5.879 3.916 164 HB3 LYS 34 1HB LYS 34 -19.904 4.384 3.044 165 HG2 LYS 34 2HG LYS 34 -17.832 3.580 3.424 166 HG3 LYS 34 1HG LYS 34 -17.076 5.170 3.362 167 HD2 LYS 34 2HD LYS 34 -17.234 5.450 5.580 168 HD3 LYS 34 1HD LYS 34 -18.891 4.845 5.622 169 HE2 LYS 34 2HE LYS 34 -16.915 2.770 5.077 170 HE3 LYS 34 1HE LYS 34 -16.681 3.562 6.634 171 HZ1 LYS 34 3HZ LYS 34 -18.614 2.748 7.444 172 HZ2 LYS 34 1HZ LYS 34 -18.312 1.523 6.316 173 HZ3 LYS 34 2HZ LYS 34 -19.401 2.763 5.947 174 H ILE 35 H ILE 35 -16.557 5.681 1.347 175 HA ILE 35 HA ILE 35 -15.610 8.028 2.656 176 HB ILE 35 HB ILE 35 -14.164 6.354 0.601 177 HG12 ILE 35 2HG1 ILE 35 -13.713 6.034 3.529 178 HG13 ILE 35 1HG1 ILE 35 -15.163 5.311 2.841 179 HG21 ILE 35 1HG2 ILE 35 -12.299 7.519 1.050 180 HG22 ILE 35 2HG2 ILE 35 -12.668 7.640 2.770 181 HG23 ILE 35 3HG2 ILE 35 -13.414 8.758 1.627 182 HD11 ILE 35 3HD1 ILE 35 -13.171 4.537 1.104 183 HD12 ILE 35 1HD1 ILE 35 -13.891 3.554 2.379 184 HD13 ILE 35 2HD1 ILE 35 -12.405 4.450 2.690 185 H ILE 36 H ILE 36 -16.306 7.183 -0.691 186 HA ILE 36 HA ILE 36 -15.290 9.581 -1.827 187 HB ILE 36 HB ILE 36 -17.362 7.689 -2.948 188 HG12 ILE 36 2HG1 ILE 36 -15.121 6.692 -2.334 189 HG13 ILE 36 1HG1 ILE 36 -15.572 6.536 -4.029 190 HG21 ILE 36 1HG2 ILE 36 -16.073 8.733 -5.089 191 HG22 ILE 36 2HG2 ILE 36 -16.073 10.115 -3.993 192 HG23 ILE 36 3HG2 ILE 36 -17.595 9.349 -4.447 193 HD11 ILE 36 3HD1 ILE 36 -13.247 7.113 -3.847 194 HD12 ILE 36 1HD1 ILE 36 -13.637 8.520 -2.858 195 HD13 ILE 36 2HD1 ILE 36 -14.131 8.466 -4.551 196 H SER 37 H SER 37 -18.358 8.650 -0.444 197 HA SER 37 HA SER 37 -19.751 10.978 -1.426 198 HB2 SER 37 2HB SER 37 -20.980 8.889 -1.080 199 HB3 SER 37 1HB SER 37 -20.563 8.911 0.632 200 HG SER 37 HG SER 37 -21.802 10.762 0.881 201 H LYS 38 H LYS 38 -17.935 10.079 1.390 202 HA LYS 38 HA LYS 38 -18.948 12.033 3.167 203 HB2 LYS 38 2HB LYS 38 -16.580 10.243 3.080 204 HB3 LYS 38 1HB LYS 38 -16.493 11.635 4.150 205 HG2 LYS 38 2HG LYS 38 -18.890 9.867 4.251 206 HG3 LYS 38 1HG LYS 38 -17.389 9.348 5.020 207 HD2 LYS 38 2HD LYS 38 -18.344 10.457 6.772 208 HD3 LYS 38 1HD LYS 38 -17.481 11.798 6.018 209 HE2 LYS 38 2HE LYS 38 -19.390 12.885 5.701 210 HE3 LYS 38 1HE LYS 38 -20.033 11.532 4.772 211 HZ1 LYS 38 3HZ LYS 38 -20.390 10.566 7.178 212 HZ2 LYS 38 1HZ LYS 38 -21.528 11.593 6.461 213 HZ3 LYS 38 2HZ LYS 38 -20.428 12.207 7.589 214 H LYS 39 H LYS 39 -15.604 12.017 2.018 215 HA LYS 39 HA LYS 39 -15.760 14.566 0.762 216 HB2 LYS 39 2HB LYS 39 -15.741 14.810 3.452 217 HB3 LYS 39 1HB LYS 39 -14.012 14.766 3.142 218 HG2 LYS 39 2HG LYS 39 -15.547 16.565 1.400 219 HG3 LYS 39 1HG LYS 39 -15.512 17.007 3.106 220 HD2 LYS 39 2HD LYS 39 -12.905 16.375 2.665 221 HD3 LYS 39 1HD LYS 39 -13.368 17.041 1.099 222 HE2 LYS 39 2HE LYS 39 -12.542 18.840 2.425 223 HE3 LYS 39 1HE LYS 39 -14.291 19.025 2.313 224 HZ1 LYS 39 3HZ LYS 39 -14.576 18.326 4.504 225 HZ2 LYS 39 1HZ LYS 39 -13.213 19.326 4.582 226 HZ3 LYS 39 2HZ LYS 39 -13.032 17.646 4.603 227 HA PRO 40 HA PRO 40 -12.046 11.967 -0.243 228 HB2 PRO 40 2HB PRO 40 -12.565 11.541 -2.837 229 HB3 PRO 40 1HB PRO 40 -13.331 10.571 -1.572 230 HG2 PRO 40 2HG PRO 40 -14.437 12.888 -3.114 231 HG3 PRO 40 1HG PRO 40 -15.218 11.356 -2.687 232 HD2 PRO 40 2HD PRO 40 -15.595 13.700 -1.312 233 HD3 PRO 40 1HD PRO 40 -15.779 12.089 -0.589 234 H ARG 41 H ARG 41 -10.739 13.819 0.051 235 HA ARG 41 HA ARG 41 -9.580 14.889 -2.257 236 HB2 ARG 41 2HB ARG 41 -11.941 16.131 -1.900 237 HB3 ARG 41 1HB ARG 41 -10.928 17.143 -0.878 238 HG2 ARG 41 2HG ARG 41 -9.467 17.628 -2.737 239 HG3 ARG 41 1HG ARG 41 -10.375 16.524 -3.773 240 HD2 ARG 41 2HD ARG 41 -11.985 18.597 -2.454 241 HD3 ARG 41 1HD ARG 41 -10.801 19.203 -3.612 242 HE ARG 41 HE ARG 41 -12.308 17.030 -4.673 243 HH11 ARG 41 1HH1 ARG 41 -12.429 20.454 -4.018 244 HH12 ARG 41 2HH1 ARG 41 -13.586 20.780 -5.264 245 HH21 ARG 41 1HH2 ARG 41 -13.833 17.454 -6.312 246 HH22 ARG 41 2HH2 ARG 41 -14.383 19.077 -6.567 247 H THR 42 H THR 42 -8.066 13.890 -0.606 248 HA THR 42 HA THR 42 -6.536 15.953 0.588 249 HB THR 42 HB THR 42 -6.757 14.667 2.931 250 HG1 THR 42 1HG THR 42 -9.390 14.600 1.891 251 HG21 THR 42 3HG2 THR 42 -7.349 17.159 2.132 252 HG22 THR 42 1HG2 THR 42 -7.671 16.544 3.754 253 HG23 THR 42 2HG2 THR 42 -8.961 16.574 2.552 254 H ALA 43 H ALA 43 -4.495 15.228 1.323 255 HA ALA 43 HA ALA 43 -3.410 13.062 -0.051 256 HB1 ALA 43 3HB ALA 43 -2.483 14.886 2.080 257 HB2 ALA 43 1HB ALA 43 -1.744 14.478 0.532 258 HB3 ALA 43 2HB ALA 43 -1.596 13.372 1.897 259 H GLN 44 H GLN 44 -4.815 13.254 3.150 260 HA GLN 44 HA GLN 44 -3.866 10.847 4.212 261 HB2 GLN 44 2HB GLN 44 -6.391 12.415 4.714 262 HB3 GLN 44 1HB GLN 44 -6.003 10.950 5.607 263 HG2 GLN 44 2HG GLN 44 -3.744 12.195 6.059 264 HG3 GLN 44 1HG GLN 44 -4.707 13.626 5.691 265 HE21 GLN 44 1HE2 GLN 44 -5.685 14.538 7.343 266 HE22 GLN 44 2HE2 GLN 44 -6.108 13.768 8.831 267 H ASP 45 H ASP 45 -6.441 11.517 1.957 268 HA ASP 45 HA ASP 45 -7.723 8.987 2.141 269 HB2 ASP 45 2HB ASP 45 -8.325 11.378 0.935 270 HB3 ASP 45 1HB ASP 45 -7.923 10.363 -0.447 271 H GLU 46 H GLU 46 -5.107 10.274 0.186 272 HA GLU 46 HA GLU 46 -4.953 8.111 -1.635 273 HB2 GLU 46 2HB GLU 46 -3.273 10.440 -0.923 274 HB3 GLU 46 1HB GLU 46 -2.433 9.083 -1.663 275 HG2 GLU 46 2HG GLU 46 -4.218 9.183 -3.476 276 HG3 GLU 46 1HG GLU 46 -4.646 10.755 -2.800 277 H LYS 47 H LYS 47 -3.285 8.820 1.401 278 HA LYS 47 HA LYS 47 -1.586 6.551 1.316 279 HB2 LYS 47 2HB LYS 47 -1.118 7.028 3.654 280 HB3 LYS 47 1HB LYS 47 -1.112 8.517 2.720 281 HG2 LYS 47 2HG LYS 47 -3.271 9.122 3.553 282 HG3 LYS 47 1HG LYS 47 -3.453 7.559 4.350 283 HD2 LYS 47 2HD LYS 47 -1.059 8.529 5.344 284 HD3 LYS 47 1HD LYS 47 -2.082 9.963 5.246 285 HE2 LYS 47 2HE LYS 47 -3.695 9.047 6.679 286 HE3 LYS 47 1HE LYS 47 -3.069 7.411 6.477 287 HZ1 LYS 47 3HZ LYS 47 -2.531 8.553 8.638 288 HZ2 LYS 47 1HZ LYS 47 -1.493 9.562 7.763 289 HZ3 LYS 47 2HZ LYS 47 -1.213 7.895 7.808 290 H PHE 48 H PHE 48 -4.781 7.151 2.650 291 HA PHE 48 HA PHE 48 -5.031 4.729 4.080 292 HB2 PHE 48 2HB PHE 48 -6.620 7.013 3.614 293 HB3 PHE 48 1HB PHE 48 -7.578 5.637 3.080 294 HD1 PHE 48 2HD PHE 48 -5.397 6.612 5.947 295 HD2 PHE 48 1HD PHE 48 -8.918 4.617 4.632 296 HE1 PHE 48 2HE PHE 48 -5.990 6.124 8.285 297 HE2 PHE 48 1HE PHE 48 -9.518 4.127 6.967 298 HZ PHE 48 HZ PHE 48 -8.052 4.881 8.797 299 H LEU 49 H LEU 49 -5.668 5.624 0.745 300 HA LEU 49 HA LEU 49 -7.001 3.203 0.053 301 HB2 LEU 49 2HB LEU 49 -7.546 4.828 -1.450 302 HB3 LEU 49 1HB LEU 49 -5.974 5.593 -1.358 303 HG LEU 49 HG LEU 49 -5.060 3.756 -2.780 304 HD11 LEU 49 1HD1 LEU 49 -6.964 2.591 -4.127 305 HD12 LEU 49 2HD1 LEU 49 -7.920 2.906 -2.680 306 HD13 LEU 49 3HD1 LEU 49 -6.454 1.933 -2.572 307 HD21 LEU 49 3HD2 LEU 49 -7.072 5.748 -3.631 308 HD22 LEU 49 1HD2 LEU 49 -6.608 4.529 -4.818 309 HD23 LEU 49 2HD2 LEU 49 -5.381 5.570 -4.098 310 H ARG 50 H ARG 50 -3.680 4.356 -0.111 311 HA ARG 50 HA ARG 50 -2.633 2.160 -1.558 312 HB2 ARG 50 2HB ARG 50 -1.498 4.386 0.058 313 HB3 ARG 50 1HB ARG 50 -0.462 3.002 -0.259 314 HG2 ARG 50 2HG ARG 50 -1.204 3.356 -2.726 315 HG3 ARG 50 1HG ARG 50 -1.624 4.975 -2.170 316 HD2 ARG 50 2HD ARG 50 1.072 3.641 -2.157 317 HD3 ARG 50 1HD ARG 50 0.586 5.109 -3.000 318 HE ARG 50 HE ARG 50 0.711 6.293 -0.986 319 HH11 ARG 50 1HH1 ARG 50 1.504 2.918 -0.532 320 HH12 ARG 50 2HH1 ARG 50 2.246 3.176 1.010 321 HH21 ARG 50 1HH2 ARG 50 1.681 6.623 1.043 322 HH22 ARG 50 2HH2 ARG 50 2.344 5.275 1.904 323 H GLU 51 H GLU 51 -3.137 2.781 1.858 324 HA GLU 51 HA GLU 51 -1.647 0.580 2.835 325 HB2 GLU 51 2HB GLU 51 -2.887 2.723 3.983 326 HB3 GLU 51 1HB GLU 51 -3.979 1.420 4.428 327 HG2 GLU 51 2HG GLU 51 -2.558 0.586 5.926 328 HG3 GLU 51 1HG GLU 51 -1.176 0.754 4.845 329 H SER 52 H SER 52 -4.921 0.949 1.672 330 HA SER 52 HA SER 52 -5.351 -1.936 2.104 331 HB2 SER 52 2HB SER 52 -7.736 -0.215 1.763 332 HB3 SER 52 1HB SER 52 -7.478 -1.588 2.840 333 HG SER 52 HG SER 52 -6.920 1.120 3.228 334 H ALA 53 H ALA 53 -4.064 -0.859 -0.168 335 HA ALA 53 HA ALA 53 -6.092 -0.997 -2.280 336 HB1 ALA 53 3HB ALA 53 -3.415 0.223 -2.051 337 HB2 ALA 53 1HB ALA 53 -4.854 0.793 -2.892 338 HB3 ALA 53 2HB ALA 53 -3.837 -0.445 -3.626 339 H CYS 54 H CYS 54 -6.403 -2.831 -3.340 340 HA CYS 54 HA CYS 54 -4.644 -5.075 -2.941 341 HB2 CYS 54 2HB CYS 54 -7.024 -5.484 -2.980 342 HB3 CYS 54 1HB CYS 54 -7.169 -4.746 -4.570 343 H GLY 55 H GLY 55 -2.802 -3.871 -3.959 344 HA2 GLY 55 2HA GLY 55 -2.811 -3.424 -6.781 345 HA3 GLY 55 1HA GLY 55 -1.400 -3.428 -5.735 346 H PHE 56 H PHE 56 -1.508 -4.518 -8.353 347 HA PHE 56 HA PHE 56 -0.259 -6.992 -7.935 348 HB2 PHE 56 2HB PHE 56 -2.554 -7.766 -7.456 349 HB3 PHE 56 1HB PHE 56 -3.065 -7.212 -9.048 350 HD1 PHE 56 1HD PHE 56 -0.712 -9.543 -7.365 351 HD2 PHE 56 2HD PHE 56 -2.929 -8.628 -10.881 352 HE1 PHE 56 1HE PHE 56 -0.096 -11.726 -8.317 353 HE2 PHE 56 2HE PHE 56 -2.317 -10.810 -11.839 354 HZ PHE 56 HZ PHE 56 -0.899 -12.362 -10.556 355 H ASP 57 H ASP 57 -2.145 -5.023 -10.176 356 HA ASP 57 HA ASP 57 -0.433 -5.889 -12.391 357 HB2 ASP 57 2HB ASP 57 -3.172 -5.354 -12.230 358 HB3 ASP 57 1HB ASP 57 -2.503 -3.983 -13.108 359 H GLY 58 H GLY 58 -1.131 -3.168 -10.349 360 HA2 GLY 58 2HA GLY 58 0.356 -1.371 -10.009 361 HA3 GLY 58 1HA GLY 58 1.110 -1.732 -11.556 362 H GLN 59 H GLN 59 -0.201 0.723 -10.218 363 HA GLN 59 HA GLN 59 -1.127 2.637 -11.047 364 HB2 GLN 59 2HB GLN 59 -0.294 1.370 -13.345 365 HB3 GLN 59 1HB GLN 59 -2.011 1.606 -13.645 366 HG2 GLN 59 2HG GLN 59 -0.906 4.005 -12.560 367 HG3 GLN 59 1HG GLN 59 0.080 3.466 -13.918 368 HE21 GLN 59 1HE2 GLN 59 -0.963 3.136 -15.956 369 HE22 GLN 59 2HE2 GLN 59 -2.395 4.018 -16.352 370 H THR 60 H THR 60 -2.928 -0.138 -12.404 371 HA THR 60 HA THR 60 -5.461 0.873 -12.384 372 HB THR 60 HB THR 60 -5.060 -1.921 -11.391 373 HG1 THR 60 1HG THR 60 -4.262 -0.907 -13.903 374 HG21 THR 60 3HG2 THR 60 -6.617 -2.132 -13.553 375 HG22 THR 60 1HG2 THR 60 -7.015 -0.485 -13.062 376 HG23 THR 60 2HG2 THR 60 -7.241 -1.822 -11.932 377 HA PRO 61 HA PRO 61 -6.261 1.664 -8.072 378 HB2 PRO 61 2HB PRO 61 -8.863 2.330 -8.268 379 HB3 PRO 61 1HB PRO 61 -7.574 3.394 -8.842 380 HG2 PRO 61 2HG PRO 61 -9.324 1.528 -10.397 381 HG3 PRO 61 1HG PRO 61 -8.832 3.186 -10.788 382 HD2 PRO 61 2HD PRO 61 -7.647 0.981 -11.867 383 HD3 PRO 61 1HD PRO 61 -6.794 2.517 -11.613 384 H LYS 62 H LYS 62 -6.591 0.235 -6.504 385 HA LYS 62 HA LYS 62 -8.816 -1.659 -6.719 386 HB2 LYS 62 2HB LYS 62 -6.001 -2.320 -6.831 387 HB3 LYS 62 1HB LYS 62 -6.762 -3.080 -5.442 388 HG2 LYS 62 2HG LYS 62 -7.626 -4.642 -6.746 389 HG3 LYS 62 1HG LYS 62 -8.472 -3.413 -7.688 390 HD2 LYS 62 2HD LYS 62 -6.724 -3.236 -9.237 391 HD3 LYS 62 1HD LYS 62 -5.571 -4.021 -8.157 392 HE2 LYS 62 2HE LYS 62 -7.921 -5.633 -8.890 393 HE3 LYS 62 1HE LYS 62 -6.821 -5.256 -10.215 394 HZ1 LYS 62 3HZ LYS 62 -6.464 -7.347 -8.696 395 HZ2 LYS 62 1HZ LYS 62 -5.668 -6.227 -7.706 396 HZ3 LYS 62 2HZ LYS 62 -5.149 -6.470 -9.297 397 H VAL 63 H VAL 63 -9.322 -2.697 -4.606 398 HA VAL 63 HA VAL 63 -8.336 -1.282 -2.257 399 HB VAL 63 HB VAL 63 -11.298 -1.384 -2.823 400 HG11 VAL 63 1HG1 VAL 63 -10.965 0.513 -0.949 401 HG12 VAL 63 2HG1 VAL 63 -9.619 -0.552 -0.542 402 HG13 VAL 63 3HG1 VAL 63 -11.267 -1.182 -0.573 403 HG21 VAL 63 3HG2 VAL 63 -9.297 0.815 -3.255 404 HG22 VAL 63 1HG2 VAL 63 -11.016 1.140 -3.025 405 HG23 VAL 63 2HG2 VAL 63 -10.479 0.163 -4.391 406 H CYS 64 H CYS 64 -8.524 -2.425 -0.362 407 HA CYS 64 HA CYS 64 -9.399 -5.210 -0.649 408 HB2 CYS 64 2HB CYS 64 -7.036 -4.598 0.127 409 HB3 CYS 64 1HB CYS 64 -7.784 -4.074 1.632 410 H CYS 65 H CYS 65 -11.230 -5.856 0.271 411 HA CYS 65 HA CYS 65 -12.358 -4.207 2.437 412 HB2 CYS 65 2HB CYS 65 -13.562 -5.396 0.015 413 HB3 CYS 65 1HB CYS 65 -14.520 -5.539 1.484 414 HA PRO 66 HA PRO 66 -11.946 -7.952 4.836 415 HB2 PRO 66 2HB PRO 66 -13.091 -7.074 7.110 416 HB3 PRO 66 1HB PRO 66 -11.490 -6.528 6.597 417 HG2 PRO 66 2HG PRO 66 -14.135 -5.156 6.321 418 HG3 PRO 66 1HG PRO 66 -12.571 -4.480 6.810 419 HD2 PRO 66 2HD PRO 66 -13.586 -4.236 4.291 420 HD3 PRO 66 1HD PRO 66 -11.847 -4.267 4.640 Start of MODEL 5 1 H GLN 11 H GLN 11 -12.131 -10.973 -4.691 2 HA GLN 11 HA GLN 11 -10.143 -13.111 -4.442 3 HB2 GLN 11 2HB GLN 11 -10.169 -10.759 -5.823 4 HB3 GLN 11 1HB GLN 11 -9.464 -10.244 -4.297 5 HG2 GLN 11 2HG GLN 11 -7.749 -11.980 -4.519 6 HG3 GLN 11 1HG GLN 11 -8.447 -12.456 -6.066 7 HE21 GLN 11 1HE2 GLN 11 -6.019 -10.773 -4.710 8 HE22 GLN 11 2HE2 GLN 11 -5.702 -9.626 -5.963 9 H ALA 12 H ALA 12 -8.700 -12.967 -2.629 10 HA ALA 12 HA ALA 12 -10.003 -11.851 -0.234 11 HB1 ALA 12 3HB ALA 12 -9.039 -13.604 1.053 12 HB2 ALA 12 1HB ALA 12 -8.023 -14.119 -0.294 13 HB3 ALA 12 2HB ALA 12 -9.770 -14.346 -0.370 14 H CYS 13 H CYS 13 -9.023 -10.187 0.696 15 HA CYS 13 HA CYS 13 -6.126 -9.845 0.277 16 HB2 CYS 13 2HB CYS 13 -7.438 -8.115 -0.863 17 HB3 CYS 13 1HB CYS 13 -8.231 -7.704 0.652 18 H THR 14 H THR 14 -4.916 -8.913 2.010 19 HA THR 14 HA THR 14 -6.107 -9.483 4.635 20 HB THR 14 HB THR 14 -4.156 -10.823 4.202 21 HG1 THR 14 1HG THR 14 -3.400 -8.687 5.903 22 HG21 THR 14 3HG2 THR 14 -3.134 -8.453 2.952 23 HG22 THR 14 1HG2 THR 14 -2.549 -10.114 2.865 24 HG23 THR 14 2HG2 THR 14 -2.004 -9.054 4.166 25 H LEU 15 H LEU 15 -6.753 -7.768 5.738 26 HA LEU 15 HA LEU 15 -6.157 -5.110 5.077 27 HB2 LEU 15 2HB LEU 15 -7.021 -4.674 7.470 28 HB3 LEU 15 1HB LEU 15 -8.116 -5.360 6.287 29 HG LEU 15 HG LEU 15 -6.664 -7.356 7.882 30 HD11 LEU 15 1HD1 LEU 15 -7.475 -6.915 9.954 31 HD12 LEU 15 2HD1 LEU 15 -8.893 -6.064 9.342 32 HD13 LEU 15 3HD1 LEU 15 -7.327 -5.256 9.377 33 HD21 LEU 15 3HD2 LEU 15 -8.318 -8.413 6.786 34 HD22 LEU 15 1HD2 LEU 15 -9.285 -6.948 6.620 35 HD23 LEU 15 2HD2 LEU 15 -9.317 -7.857 8.129 36 HA PRO 16 HA PRO 16 -2.305 -3.969 6.863 37 HB2 PRO 16 2HB PRO 16 -3.115 -1.985 8.680 38 HB3 PRO 16 1HB PRO 16 -2.662 -1.735 6.993 39 HG2 PRO 16 2HG PRO 16 -5.368 -1.993 8.213 40 HG3 PRO 16 1HG PRO 16 -4.836 -0.986 6.854 41 HD2 PRO 16 2HD PRO 16 -6.250 -3.217 6.448 42 HD3 PRO 16 1HD PRO 16 -4.937 -2.754 5.345 43 H ASN 17 H ASN 17 -4.975 -4.706 8.993 44 HA ASN 17 HA ASN 17 -3.252 -5.133 11.287 45 HB2 ASN 17 2HB ASN 17 -5.786 -4.312 11.172 46 HB3 ASN 17 1HB ASN 17 -6.088 -6.043 11.284 47 HD21 ASN 17 1HD2 ASN 17 -6.483 -3.725 13.153 48 HD22 ASN 17 2HD2 ASN 17 -5.744 -4.233 14.631 49 H ASN 18 H ASN 18 -4.301 -6.925 8.608 50 HA ASN 18 HA ASN 18 -3.995 -9.084 7.981 51 HB2 ASN 18 2HB ASN 18 -2.103 -8.742 10.200 52 HB3 ASN 18 1HB ASN 18 -2.602 -10.410 9.942 53 HD21 ASN 18 1HD2 ASN 18 -0.671 -11.119 9.155 54 HD22 ASN 18 2HD2 ASN 18 -0.020 -10.619 7.636 55 H ASP 19 H ASP 19 -6.235 -9.467 8.214 56 HA ASP 19 HA ASP 19 -6.834 -11.459 10.240 57 HB2 ASP 19 2HB ASP 19 -8.448 -8.918 9.952 58 HB3 ASP 19 1HB ASP 19 -8.975 -10.332 10.859 59 H LYS 20 H LYS 20 -6.560 -11.178 7.251 60 HA LYS 20 HA LYS 20 -7.496 -12.091 5.392 61 HB2 LYS 20 2HB LYS 20 -9.571 -13.364 7.164 62 HB3 LYS 20 1HB LYS 20 -8.936 -13.952 5.633 63 HG2 LYS 20 2HG LYS 20 -7.343 -13.741 8.179 64 HG3 LYS 20 1HG LYS 20 -8.116 -15.212 7.587 65 HD2 LYS 20 2HD LYS 20 -6.136 -15.592 6.594 66 HD3 LYS 20 1HD LYS 20 -6.707 -14.428 5.397 67 HE2 LYS 20 2HE LYS 20 -5.616 -12.917 7.497 68 HE3 LYS 20 1HE LYS 20 -4.486 -14.240 7.209 69 HZ1 LYS 20 3HZ LYS 20 -5.487 -12.303 5.193 70 HZ2 LYS 20 1HZ LYS 20 -4.495 -13.629 4.841 71 HZ3 LYS 20 2HZ LYS 20 -3.921 -12.380 5.826 72 H GLY 21 H GLY 21 -8.832 -11.301 3.865 73 HA2 GLY 21 2HA GLY 21 -11.460 -10.288 4.564 74 HA3 GLY 21 1HA GLY 21 -10.303 -9.066 4.061 75 H THR 22 H THR 22 -11.756 -8.612 2.313 76 HA THR 22 HA THR 22 -11.426 -10.491 0.071 77 HB THR 22 HB THR 22 -13.879 -8.798 0.583 78 HG1 THR 22 1HG THR 22 -13.436 -11.566 0.996 79 HG21 THR 22 3HG2 THR 22 -13.556 -9.278 -1.774 80 HG22 THR 22 1HG2 THR 22 -14.931 -10.172 -1.129 81 HG23 THR 22 2HG2 THR 22 -13.399 -10.997 -1.413 82 H CYS 23 H CYS 23 -11.094 -9.556 -1.972 83 HA CYS 23 HA CYS 23 -10.547 -6.659 -1.906 84 HB2 CYS 23 2HB CYS 23 -8.658 -8.555 -2.242 85 HB3 CYS 23 1HB CYS 23 -9.139 -8.312 -3.918 86 H LYS 24 H LYS 24 -11.686 -5.454 -3.233 87 HA LYS 24 HA LYS 24 -12.561 -6.503 -5.807 88 HB2 LYS 24 2HB LYS 24 -14.868 -5.481 -5.352 89 HB3 LYS 24 1HB LYS 24 -14.504 -7.025 -4.591 90 HG2 LYS 24 2HG LYS 24 -14.160 -6.007 -2.481 91 HG3 LYS 24 1HG LYS 24 -14.169 -4.390 -3.187 92 HD2 LYS 24 2HD LYS 24 -16.308 -4.450 -2.402 93 HD3 LYS 24 1HD LYS 24 -16.577 -5.173 -3.989 94 HE2 LYS 24 2HE LYS 24 -17.708 -6.537 -2.411 95 HE3 LYS 24 1HE LYS 24 -16.262 -7.416 -2.906 96 HZ1 LYS 24 3HZ LYS 24 -16.902 -6.190 -0.329 97 HZ2 LYS 24 1HZ LYS 24 -15.280 -6.194 -0.814 98 HZ3 LYS 24 2HZ LYS 24 -16.123 -7.653 -0.665 99 H SER 25 H SER 25 -13.594 -4.692 -7.129 100 HA SER 25 HA SER 25 -11.810 -2.540 -7.303 101 HB2 SER 25 2HB SER 25 -14.623 -2.706 -8.414 102 HB3 SER 25 1HB SER 25 -13.357 -1.607 -8.956 103 HG SER 25 HG SER 25 -12.699 -3.144 -10.207 104 H LEU 26 H LEU 26 -12.723 -0.178 -7.376 105 HA LEU 26 HA LEU 26 -13.789 0.335 -4.708 106 HB2 LEU 26 2HB LEU 26 -13.116 2.682 -5.153 107 HB3 LEU 26 1HB LEU 26 -11.792 1.536 -5.224 108 HG LEU 26 HG LEU 26 -12.755 1.751 -7.860 109 HD11 LEU 26 1HD1 LEU 26 -12.442 4.204 -8.233 110 HD12 LEU 26 2HD1 LEU 26 -12.550 4.421 -6.486 111 HD13 LEU 26 3HD1 LEU 26 -13.923 3.769 -7.380 112 HD21 LEU 26 3HD2 LEU 26 -10.319 2.675 -6.385 113 HD22 LEU 26 1HD2 LEU 26 -10.524 3.022 -8.101 114 HD23 LEU 26 2HD2 LEU 26 -10.490 1.351 -7.536 115 H LEU 27 H LEU 27 -15.513 -0.620 -6.881 116 HA LEU 27 HA LEU 27 -17.458 1.575 -6.816 117 HB2 LEU 27 2HB LEU 27 -16.841 -0.135 -9.227 118 HB3 LEU 27 1HB LEU 27 -18.149 1.027 -9.119 119 HG LEU 27 HG LEU 27 -15.205 1.689 -8.988 120 HD11 LEU 27 1HD1 LEU 27 -17.183 1.586 -11.186 121 HD12 LEU 27 2HD1 LEU 27 -15.443 1.305 -11.209 122 HD13 LEU 27 3HD1 LEU 27 -16.070 2.952 -11.164 123 HD21 LEU 27 3HD2 LEU 27 -16.007 3.473 -7.869 124 HD22 LEU 27 1HD2 LEU 27 -17.656 3.227 -8.444 125 HD23 LEU 27 2HD2 LEU 27 -16.470 4.019 -9.481 126 H GLN 28 H GLN 28 -17.073 -0.953 -5.295 127 HA GLN 28 HA GLN 28 -19.725 -2.101 -5.831 128 HB2 GLN 28 2HB GLN 28 -17.204 -3.625 -5.155 129 HB3 GLN 28 1HB GLN 28 -18.815 -4.327 -5.155 130 HG2 GLN 28 2HG GLN 28 -19.038 -3.891 -7.524 131 HG3 GLN 28 1HG GLN 28 -17.467 -3.094 -7.546 132 HE21 GLN 28 1HE2 GLN 28 -18.750 -6.142 -6.248 133 HE22 GLN 28 2HE2 GLN 28 -17.531 -7.148 -6.945 134 H CYS 29 H CYS 29 -17.073 -1.970 -3.454 135 HA CYS 29 HA CYS 29 -18.596 -2.655 -1.209 136 HB2 CYS 29 2HB CYS 29 -15.938 -1.994 -1.709 137 HB3 CYS 29 1HB CYS 29 -16.485 -0.745 -0.598 138 H ASP 30 H ASP 30 -20.298 -1.634 -0.403 139 HA ASP 30 HA ASP 30 -21.170 0.906 -1.115 140 HB2 ASP 30 2HB ASP 30 -21.842 -1.019 1.048 141 HB3 ASP 30 1HB ASP 30 -22.396 0.640 1.251 142 H VAL 31 H VAL 31 -18.980 -0.092 1.422 143 HA VAL 31 HA VAL 31 -19.014 2.346 2.879 144 HB VAL 31 HB VAL 31 -16.925 1.538 3.917 145 HG11 VAL 31 1HG1 VAL 31 -18.022 0.067 5.239 146 HG12 VAL 31 2HG1 VAL 31 -18.588 -0.902 3.878 147 HG13 VAL 31 3HG1 VAL 31 -19.412 0.601 4.294 148 HG21 VAL 31 3HG2 VAL 31 -17.021 -0.331 1.622 149 HG22 VAL 31 1HG2 VAL 31 -16.467 -0.981 3.164 150 HG23 VAL 31 2HG2 VAL 31 -15.637 0.395 2.438 151 H ALA 32 H ALA 32 -17.038 1.106 0.242 152 HA ALA 32 HA ALA 32 -15.115 3.172 0.244 153 HB1 ALA 32 3HB ALA 32 -16.002 1.154 -1.778 154 HB2 ALA 32 1HB ALA 32 -14.457 1.293 -0.938 155 HB3 ALA 32 2HB ALA 32 -14.865 2.427 -2.226 156 H SER 33 H SER 33 -18.251 2.831 -1.307 157 HA SER 33 HA SER 33 -18.048 5.084 -3.000 158 HB2 SER 33 2HB SER 33 -19.703 3.343 -3.411 159 HB3 SER 33 1HB SER 33 -20.498 3.707 -1.879 160 HG SER 33 HG SER 33 -21.591 4.742 -3.544 161 H LYS 34 H LYS 34 -19.184 4.682 0.311 162 HA LYS 34 HA LYS 34 -20.291 7.283 0.550 163 HB2 LYS 34 2HB LYS 34 -20.462 6.844 2.897 164 HB3 LYS 34 1HB LYS 34 -20.849 5.359 2.041 165 HG2 LYS 34 2HG LYS 34 -19.077 4.257 2.874 166 HG3 LYS 34 1HG LYS 34 -18.031 5.675 2.842 167 HD2 LYS 34 2HD LYS 34 -19.609 6.497 4.766 168 HD3 LYS 34 1HD LYS 34 -19.953 4.775 4.936 169 HE2 LYS 34 2HE LYS 34 -18.172 4.888 6.334 170 HE3 LYS 34 1HE LYS 34 -17.294 4.650 4.825 171 HZ1 LYS 34 3HZ LYS 34 -17.293 7.198 4.726 172 HZ2 LYS 34 1HZ LYS 34 -16.228 6.439 5.801 173 HZ3 LYS 34 2HZ LYS 34 -17.661 7.132 6.374 174 H ILE 35 H ILE 35 -17.082 5.970 1.002 175 HA ILE 35 HA ILE 35 -15.990 8.196 2.387 176 HB ILE 35 HB ILE 35 -14.525 6.197 0.660 177 HG12 ILE 35 2HG1 ILE 35 -14.625 5.989 3.632 178 HG13 ILE 35 1HG1 ILE 35 -16.045 5.474 2.727 179 HG21 ILE 35 1HG2 ILE 35 -13.564 7.993 2.886 180 HG22 ILE 35 2HG2 ILE 35 -13.192 8.161 1.169 181 HG23 ILE 35 3HG2 ILE 35 -12.594 6.767 2.069 182 HD11 ILE 35 3HD1 ILE 35 -13.927 4.288 1.397 183 HD12 ILE 35 1HD1 ILE 35 -15.046 3.509 2.515 184 HD13 ILE 35 2HD1 ILE 35 -13.512 4.146 3.106 185 H ILE 36 H ILE 36 -16.242 7.340 -1.021 186 HA ILE 36 HA ILE 36 -14.614 9.433 -2.013 187 HB ILE 36 HB ILE 36 -16.868 7.991 -3.417 188 HG12 ILE 36 2HG1 ILE 36 -15.031 6.546 -2.459 189 HG13 ILE 36 1HG1 ILE 36 -15.245 6.424 -4.201 190 HG21 ILE 36 1HG2 ILE 36 -16.387 9.892 -4.700 191 HG22 ILE 36 2HG2 ILE 36 -15.457 8.597 -5.455 192 HG23 ILE 36 3HG2 ILE 36 -14.653 9.761 -4.403 193 HD11 ILE 36 3HD1 ILE 36 -12.867 6.569 -3.238 194 HD12 ILE 36 1HD1 ILE 36 -13.216 8.286 -3.039 195 HD13 ILE 36 2HD1 ILE 36 -13.272 7.555 -4.643 196 H SER 37 H SER 37 -18.013 9.209 -1.188 197 HA SER 37 HA SER 37 -18.738 11.706 -2.389 198 HB2 SER 37 2HB SER 37 -20.457 10.045 -2.126 199 HB3 SER 37 1HB SER 37 -20.153 9.930 -0.393 200 HG SER 37 HG SER 37 -21.075 12.258 -1.729 201 H LYS 38 H LYS 38 -17.497 10.698 0.696 202 HA LYS 38 HA LYS 38 -18.195 13.137 2.053 203 HB2 LYS 38 2HB LYS 38 -16.885 10.591 2.745 204 HB3 LYS 38 1HB LYS 38 -16.287 11.991 3.626 205 HG2 LYS 38 2HG LYS 38 -19.201 11.844 3.491 206 HG3 LYS 38 1HG LYS 38 -18.449 10.482 4.326 207 HD2 LYS 38 2HD LYS 38 -18.837 12.086 6.000 208 HD3 LYS 38 1HD LYS 38 -17.119 12.224 5.625 209 HE2 LYS 38 2HE LYS 38 -17.478 14.404 5.339 210 HE3 LYS 38 1HE LYS 38 -18.332 13.978 3.858 211 HZ1 LYS 38 3HZ LYS 38 -19.385 14.851 6.417 212 HZ2 LYS 38 1HZ LYS 38 -20.253 13.611 5.660 213 HZ3 LYS 38 2HZ LYS 38 -20.001 15.078 4.857 214 H LYS 39 H LYS 39 -15.267 11.726 0.672 215 HA LYS 39 HA LYS 39 -14.154 14.367 0.286 216 HB2 LYS 39 2HB LYS 39 -13.046 12.426 2.278 217 HB3 LYS 39 1HB LYS 39 -11.945 13.465 1.384 218 HG2 LYS 39 2HG LYS 39 -13.899 15.202 2.270 219 HG3 LYS 39 1HG LYS 39 -13.685 14.082 3.617 220 HD2 LYS 39 2HD LYS 39 -12.107 15.731 4.056 221 HD3 LYS 39 1HD LYS 39 -11.157 14.485 3.242 222 HE2 LYS 39 2HE LYS 39 -10.732 15.800 1.472 223 HE3 LYS 39 1HE LYS 39 -12.377 16.434 1.431 224 HZ1 LYS 39 3HZ LYS 39 -10.335 17.939 2.062 225 HZ2 LYS 39 1HZ LYS 39 -10.629 17.313 3.607 226 HZ3 LYS 39 2HZ LYS 39 -11.846 18.159 2.789 227 HA PRO 40 HA PRO 40 -13.317 11.480 -3.216 228 HB2 PRO 40 2HB PRO 40 -12.966 14.133 -4.510 229 HB3 PRO 40 1HB PRO 40 -13.883 12.723 -5.056 230 HG2 PRO 40 2HG PRO 40 -15.131 14.868 -4.088 231 HG3 PRO 40 1HG PRO 40 -15.713 13.232 -3.728 232 HD2 PRO 40 2HD PRO 40 -14.167 15.121 -2.000 233 HD3 PRO 40 1HD PRO 40 -15.479 14.007 -1.562 234 H ARG 41 H ARG 41 -11.330 10.687 -2.675 235 HA ARG 41 HA ARG 41 -9.071 10.457 -2.694 236 HB2 ARG 41 2HB ARG 41 -9.574 12.535 -4.737 237 HB3 ARG 41 1HB ARG 41 -7.926 12.435 -4.135 238 HG2 ARG 41 2HG ARG 41 -7.655 10.892 -5.722 239 HG3 ARG 41 1HG ARG 41 -8.494 9.815 -4.602 240 HD2 ARG 41 2HD ARG 41 -10.613 10.933 -5.786 241 HD3 ARG 41 1HD ARG 41 -9.448 11.085 -7.102 242 HE ARG 41 HE ARG 41 -9.441 8.460 -6.013 243 HH11 ARG 41 1HH1 ARG 41 -11.244 10.584 -8.114 244 HH12 ARG 41 2HH1 ARG 41 -11.931 9.290 -9.039 245 HH21 ARG 41 1HH2 ARG 41 -10.340 6.758 -7.230 246 HH22 ARG 41 2HH2 ARG 41 -11.416 7.119 -8.538 247 H THR 42 H THR 42 -7.625 10.887 -1.170 248 HA THR 42 HA THR 42 -7.016 13.565 -0.321 249 HB THR 42 HB THR 42 -7.533 12.559 2.161 250 HG1 THR 42 1HG THR 42 -9.283 11.346 2.157 251 HG21 THR 42 3HG2 THR 42 -9.007 14.383 0.367 252 HG22 THR 42 1HG2 THR 42 -8.330 14.661 1.971 253 HG23 THR 42 2HG2 THR 42 -9.857 13.797 1.797 254 H ALA 43 H ALA 43 -5.158 13.636 1.085 255 HA ALA 43 HA ALA 43 -3.173 11.800 0.459 256 HB1 ALA 43 3HB ALA 43 -2.097 12.797 2.648 257 HB2 ALA 43 1HB ALA 43 -3.448 13.924 2.527 258 HB3 ALA 43 2HB ALA 43 -2.296 13.783 1.199 259 H GLN 44 H GLN 44 -5.367 11.885 3.204 260 HA GLN 44 HA GLN 44 -4.118 9.676 4.535 261 HB2 GLN 44 2HB GLN 44 -6.494 11.386 4.977 262 HB3 GLN 44 1HB GLN 44 -6.596 9.756 5.630 263 HG2 GLN 44 2HG GLN 44 -4.234 10.333 6.604 264 HG3 GLN 44 1HG GLN 44 -4.787 11.993 6.382 265 HE21 GLN 44 1HE2 GLN 44 -4.695 12.233 8.662 266 HE22 GLN 44 2HE2 GLN 44 -5.960 11.618 9.666 267 H ASP 45 H ASP 45 -6.801 10.138 2.335 268 HA ASP 45 HA ASP 45 -7.809 7.491 2.500 269 HB2 ASP 45 2HB ASP 45 -9.160 9.399 1.699 270 HB3 ASP 45 1HB ASP 45 -8.128 9.515 0.275 271 H GLU 46 H GLU 46 -5.446 9.076 0.413 272 HA GLU 46 HA GLU 46 -5.210 6.877 -1.379 273 HB2 GLU 46 2HB GLU 46 -3.089 8.014 -2.103 274 HB3 GLU 46 1HB GLU 46 -4.536 9.007 -2.201 275 HG2 GLU 46 2HG GLU 46 -3.401 10.553 -1.100 276 HG3 GLU 46 1HG GLU 46 -3.566 9.527 0.320 277 H LYS 47 H LYS 47 -3.453 7.890 1.512 278 HA LYS 47 HA LYS 47 -1.468 5.861 1.320 279 HB2 LYS 47 2HB LYS 47 -0.868 6.460 3.586 280 HB3 LYS 47 1HB LYS 47 -1.183 7.925 2.664 281 HG2 LYS 47 2HG LYS 47 -3.325 8.187 3.699 282 HG3 LYS 47 1HG LYS 47 -3.178 6.624 4.503 283 HD2 LYS 47 2HD LYS 47 -2.698 8.462 6.043 284 HD3 LYS 47 1HD LYS 47 -1.275 7.452 5.788 285 HE2 LYS 47 2HE LYS 47 -0.487 9.100 4.098 286 HE3 LYS 47 1HE LYS 47 -1.850 10.130 4.529 287 HZ1 LYS 47 3HZ LYS 47 -0.243 10.984 5.874 288 HZ2 LYS 47 1HZ LYS 47 0.568 9.511 6.059 289 HZ3 LYS 47 2HZ LYS 47 -0.859 9.804 6.917 290 H PHE 48 H PHE 48 -4.613 6.077 2.869 291 HA PHE 48 HA PHE 48 -4.407 3.635 4.301 292 HB2 PHE 48 2HB PHE 48 -6.001 5.499 4.837 293 HB3 PHE 48 1HB PHE 48 -6.936 5.032 3.422 294 HD1 PHE 48 2HD PHE 48 -7.691 2.535 3.342 295 HD2 PHE 48 1HD PHE 48 -6.521 4.584 6.885 296 HE1 PHE 48 2HE PHE 48 -8.921 0.889 4.696 297 HE2 PHE 48 1HE PHE 48 -7.748 2.940 8.244 298 HZ PHE 48 HZ PHE 48 -8.951 1.091 7.149 299 H LEU 49 H LEU 49 -5.755 4.486 1.145 300 HA LEU 49 HA LEU 49 -6.810 1.888 0.653 301 HB2 LEU 49 2HB LEU 49 -7.069 2.622 -1.667 302 HB3 LEU 49 1HB LEU 49 -7.701 3.799 -0.533 303 HG LEU 49 HG LEU 49 -5.468 5.020 -0.818 304 HD11 LEU 49 1HD1 LEU 49 -5.068 2.770 -2.577 305 HD12 LEU 49 2HD1 LEU 49 -3.921 3.997 -2.041 306 HD13 LEU 49 3HD1 LEU 49 -4.932 4.295 -3.453 307 HD21 LEU 49 3HD2 LEU 49 -6.281 5.866 -3.144 308 HD22 LEU 49 1HD2 LEU 49 -7.286 6.116 -1.717 309 HD23 LEU 49 2HD2 LEU 49 -7.655 4.806 -2.838 310 H ARG 50 H ARG 50 -3.718 3.432 0.096 311 HA ARG 50 HA ARG 50 -2.652 1.527 -1.690 312 HB2 ARG 50 2HB ARG 50 -1.780 3.903 -0.652 313 HB3 ARG 50 1HB ARG 50 -0.743 2.754 0.181 314 HG2 ARG 50 2HG ARG 50 0.220 1.999 -1.798 315 HG3 ARG 50 1HG ARG 50 -1.089 2.643 -2.790 316 HD2 ARG 50 2HD ARG 50 -0.364 4.897 -2.379 317 HD3 ARG 50 1HD ARG 50 0.842 4.342 -1.218 318 HE ARG 50 HE ARG 50 1.170 3.237 -3.853 319 HH11 ARG 50 1HH1 ARG 50 1.924 5.926 -1.761 320 HH12 ARG 50 2HH1 ARG 50 3.340 6.381 -2.648 321 HH21 ARG 50 1HH2 ARG 50 3.030 3.836 -5.022 322 HH22 ARG 50 2HH2 ARG 50 3.967 5.196 -4.500 323 H GLU 51 H GLU 51 -2.795 1.702 1.818 324 HA GLU 51 HA GLU 51 -1.114 -0.564 2.264 325 HB2 GLU 51 2HB GLU 51 -2.770 1.247 3.910 326 HB3 GLU 51 1HB GLU 51 -2.544 -0.372 4.558 327 HG2 GLU 51 2HG GLU 51 -0.326 -0.069 4.928 328 HG3 GLU 51 1HG GLU 51 -0.139 1.053 3.579 329 H SER 52 H SER 52 -4.535 -0.067 1.768 330 HA SER 52 HA SER 52 -4.980 -2.957 2.134 331 HB2 SER 52 2HB SER 52 -7.116 -0.823 2.201 332 HB3 SER 52 1HB SER 52 -7.245 -2.501 2.727 333 HG SER 52 HG SER 52 -6.818 -0.628 4.314 334 H ALA 53 H ALA 53 -3.889 -2.153 -0.256 335 HA ALA 53 HA ALA 53 -6.160 -2.517 -2.098 336 HB1 ALA 53 3HB ALA 53 -5.592 -0.348 -2.616 337 HB2 ALA 53 1HB ALA 53 -4.598 -1.250 -3.759 338 HB3 ALA 53 2HB ALA 53 -3.878 -0.604 -2.285 339 H CYS 54 H CYS 54 -5.894 -3.960 -3.752 340 HA CYS 54 HA CYS 54 -3.593 -5.741 -3.517 341 HB2 CYS 54 2HB CYS 54 -6.169 -6.032 -5.075 342 HB3 CYS 54 1HB CYS 54 -4.907 -7.254 -4.977 343 H GLY 55 H GLY 55 -3.462 -3.050 -4.827 344 HA2 GLY 55 2HA GLY 55 -2.670 -3.945 -7.528 345 HA3 GLY 55 1HA GLY 55 -3.246 -2.325 -7.165 346 H PHE 56 H PHE 56 -0.694 -3.407 -8.333 347 HA PHE 56 HA PHE 56 1.206 -2.260 -6.401 348 HB2 PHE 56 2HB PHE 56 1.530 -4.265 -8.621 349 HB3 PHE 56 1HB PHE 56 2.916 -3.388 -7.983 350 HD1 PHE 56 1HD PHE 56 0.267 -5.807 -7.178 351 HD2 PHE 56 2HD PHE 56 3.846 -3.919 -5.862 352 HE1 PHE 56 1HE PHE 56 0.457 -7.449 -5.354 353 HE2 PHE 56 2HE PHE 56 4.044 -5.557 -4.036 354 HZ PHE 56 HZ PHE 56 2.348 -7.325 -3.782 355 H ASP 57 H ASP 57 -0.115 -1.982 -9.606 356 HA ASP 57 HA ASP 57 1.771 0.147 -10.294 357 HB2 ASP 57 2HB ASP 57 0.430 -1.851 -11.792 358 HB3 ASP 57 1HB ASP 57 -0.206 -0.299 -12.327 359 H GLY 58 H GLY 58 0.815 2.105 -11.384 360 HA2 GLY 58 2HA GLY 58 -1.343 3.112 -9.694 361 HA3 GLY 58 1HA GLY 58 -0.287 4.076 -10.715 362 H GLN 59 H GLN 59 -1.570 1.317 -12.249 363 HA GLN 59 HA GLN 59 -3.564 2.999 -13.616 364 HB2 GLN 59 2HB GLN 59 -1.441 1.344 -14.624 365 HB3 GLN 59 1HB GLN 59 -2.985 0.743 -15.211 366 HG2 GLN 59 2HG GLN 59 -3.286 2.486 -16.576 367 HG3 GLN 59 1HG GLN 59 -2.684 3.646 -15.391 368 HE21 GLN 59 1HE2 GLN 59 -2.085 3.813 -18.092 369 HE22 GLN 59 2HE2 GLN 59 -0.397 3.521 -18.312 370 H THR 60 H THR 60 -3.072 0.170 -11.752 371 HA THR 60 HA THR 60 -5.697 -0.911 -12.496 372 HB THR 60 HB THR 60 -3.456 -2.139 -10.878 373 HG1 THR 60 1HG THR 60 -4.330 -2.481 -13.543 374 HG21 THR 60 3HG2 THR 60 -5.479 -3.914 -11.994 375 HG22 THR 60 1HG2 THR 60 -6.079 -2.862 -10.712 376 HG23 THR 60 2HG2 THR 60 -4.703 -3.922 -10.410 377 HA PRO 61 HA PRO 61 -6.807 1.137 -8.568 378 HB2 PRO 61 2HB PRO 61 -9.383 1.587 -9.179 379 HB3 PRO 61 1HB PRO 61 -8.085 2.601 -9.819 380 HG2 PRO 61 2HG PRO 61 -9.556 0.351 -11.138 381 HG3 PRO 61 1HG PRO 61 -9.105 1.933 -11.802 382 HD2 PRO 61 2HD PRO 61 -7.694 -0.355 -12.280 383 HD3 PRO 61 1HD PRO 61 -6.962 1.262 -12.270 384 H LYS 62 H LYS 62 -6.911 -0.339 -6.976 385 HA LYS 62 HA LYS 62 -9.244 -2.110 -6.898 386 HB2 LYS 62 2HB LYS 62 -6.477 -2.945 -7.151 387 HB3 LYS 62 1HB LYS 62 -7.204 -3.586 -5.685 388 HG2 LYS 62 2HG LYS 62 -8.811 -4.788 -6.856 389 HG3 LYS 62 1HG LYS 62 -8.600 -3.827 -8.320 390 HD2 LYS 62 2HD LYS 62 -6.116 -4.834 -8.057 391 HD3 LYS 62 1HD LYS 62 -7.054 -6.136 -7.322 392 HE2 LYS 62 2HE LYS 62 -7.759 -4.957 -9.995 393 HE3 LYS 62 1HE LYS 62 -6.614 -6.287 -9.827 394 HZ1 LYS 62 3HZ LYS 62 -9.384 -6.372 -8.768 395 HZ2 LYS 62 1HZ LYS 62 -8.292 -7.660 -8.898 396 HZ3 LYS 62 2HZ LYS 62 -8.951 -6.964 -10.293 397 H VAL 63 H VAL 63 -9.628 -2.993 -4.681 398 HA VAL 63 HA VAL 63 -8.375 -1.525 -2.508 399 HB VAL 63 HB VAL 63 -11.366 -1.357 -2.870 400 HG11 VAL 63 1HG1 VAL 63 -11.222 0.287 -1.056 401 HG12 VAL 63 2HG1 VAL 63 -9.486 -0.001 -0.940 402 HG13 VAL 63 3HG1 VAL 63 -10.622 -1.294 -0.555 403 HG21 VAL 63 3HG2 VAL 63 -10.399 -0.022 -4.599 404 HG22 VAL 63 1HG2 VAL 63 -9.227 0.676 -3.480 405 HG23 VAL 63 2HG2 VAL 63 -10.939 1.067 -3.321 406 H CYS 64 H CYS 64 -8.652 -2.470 -0.487 407 HA CYS 64 HA CYS 64 -9.702 -5.208 -0.568 408 HB2 CYS 64 2HB CYS 64 -7.870 -3.896 1.453 409 HB3 CYS 64 1HB CYS 64 -8.349 -5.589 1.449 410 H CYS 65 H CYS 65 -11.553 -5.681 0.401 411 HA CYS 65 HA CYS 65 -12.550 -3.874 2.504 412 HB2 CYS 65 2HB CYS 65 -13.867 -5.024 0.117 413 HB3 CYS 65 1HB CYS 65 -14.820 -5.042 1.597 414 HA PRO 66 HA PRO 66 -12.157 -7.692 4.873 415 HB2 PRO 66 2HB PRO 66 -12.951 -6.634 7.251 416 HB3 PRO 66 1HB PRO 66 -11.320 -6.435 6.600 417 HG2 PRO 66 2HG PRO 66 -13.638 -4.541 6.518 418 HG3 PRO 66 1HG PRO 66 -11.931 -4.205 6.863 419 HD2 PRO 66 2HD PRO 66 -13.033 -3.709 4.449 420 HD3 PRO 66 1HD PRO 66 -11.343 -4.224 4.629 Start of MODEL 6 1 H GLN 11 H GLN 11 -11.334 -12.411 -5.994 2 HA GLN 11 HA GLN 11 -9.976 -13.548 -4.479 3 HB2 GLN 11 2HB GLN 11 -9.301 -10.800 -5.388 4 HB3 GLN 11 1HB GLN 11 -8.181 -11.556 -4.263 5 HG2 GLN 11 2HG GLN 11 -9.024 -13.228 -6.530 6 HG3 GLN 11 1HG GLN 11 -8.052 -11.814 -6.938 7 HE21 GLN 11 1HE2 GLN 11 -6.003 -11.569 -5.801 8 HE22 GLN 11 2HE2 GLN 11 -5.123 -12.985 -5.347 9 H ALA 12 H ALA 12 -8.780 -13.588 -2.490 10 HA ALA 12 HA ALA 12 -10.095 -12.042 -0.357 11 HB1 ALA 12 3HB ALA 12 -9.180 -13.933 1.113 12 HB2 ALA 12 1HB ALA 12 -8.914 -14.798 -0.401 13 HB3 ALA 12 2HB ALA 12 -10.543 -14.296 0.055 14 H CYS 13 H CYS 13 -8.918 -10.481 0.528 15 HA CYS 13 HA CYS 13 -5.988 -10.808 0.588 16 HB2 CYS 13 2HB CYS 13 -5.716 -8.443 0.295 17 HB3 CYS 13 1HB CYS 13 -6.799 -9.018 -0.968 18 H THR 14 H THR 14 -4.927 -9.480 2.326 19 HA THR 14 HA THR 14 -6.472 -9.777 4.804 20 HB THR 14 HB THR 14 -4.373 -11.059 4.643 21 HG1 THR 14 1HG THR 14 -5.104 -10.182 6.676 22 HG21 THR 14 3HG2 THR 14 -2.239 -10.077 4.562 23 HG22 THR 14 1HG2 THR 14 -2.898 -8.448 4.714 24 HG23 THR 14 2HG2 THR 14 -3.153 -9.366 3.231 25 H LEU 15 H LEU 15 -7.312 -7.988 5.615 26 HA LEU 15 HA LEU 15 -6.733 -5.387 4.765 27 HB2 LEU 15 2HB LEU 15 -7.876 -4.768 7.007 28 HB3 LEU 15 1HB LEU 15 -8.806 -5.590 5.770 29 HG LEU 15 HG LEU 15 -7.495 -7.383 7.702 30 HD11 LEU 15 1HD1 LEU 15 -9.276 -5.193 8.579 31 HD12 LEU 15 2HD1 LEU 15 -8.032 -6.073 9.467 32 HD13 LEU 15 3HD1 LEU 15 -9.618 -6.802 9.216 33 HD21 LEU 15 3HD2 LEU 15 -10.406 -7.400 7.237 34 HD22 LEU 15 1HD2 LEU 15 -9.242 -8.724 7.215 35 HD23 LEU 15 2HD2 LEU 15 -9.395 -7.662 5.817 36 HA PRO 16 HA PRO 16 -3.172 -3.876 6.856 37 HB2 PRO 16 2HB PRO 16 -4.253 -1.771 8.363 38 HB3 PRO 16 1HB PRO 16 -3.642 -1.664 6.710 39 HG2 PRO 16 2HG PRO 16 -6.444 -1.952 7.680 40 HG3 PRO 16 1HG PRO 16 -5.822 -1.043 6.291 41 HD2 PRO 16 2HD PRO 16 -7.083 -3.376 5.963 42 HD3 PRO 16 1HD PRO 16 -5.686 -2.942 4.955 43 H ASN 17 H ASN 17 -6.032 -4.559 8.739 44 HA ASN 17 HA ASN 17 -4.569 -4.665 11.241 45 HB2 ASN 17 2HB ASN 17 -7.226 -4.209 10.580 46 HB3 ASN 17 1HB ASN 17 -7.244 -5.823 11.280 47 HD21 ASN 17 1HD2 ASN 17 -7.405 -5.945 13.396 48 HD22 ASN 17 2HD2 ASN 17 -7.032 -4.685 14.517 49 H ASN 18 H ASN 18 -5.123 -6.745 8.647 50 HA ASN 18 HA ASN 18 -4.665 -8.937 8.283 51 HB2 ASN 18 2HB ASN 18 -3.146 -8.339 10.760 52 HB3 ASN 18 1HB ASN 18 -3.416 -10.041 10.399 53 HD21 ASN 18 1HD2 ASN 18 -0.902 -8.806 10.450 54 HD22 ASN 18 2HD2 ASN 18 -0.242 -8.854 8.855 55 H ASP 19 H ASP 19 -6.920 -9.388 8.316 56 HA ASP 19 HA ASP 19 -7.636 -11.299 10.366 57 HB2 ASP 19 2HB ASP 19 -9.141 -8.715 9.984 58 HB3 ASP 19 1HB ASP 19 -9.901 -10.144 10.681 59 H LYS 20 H LYS 20 -7.161 -11.124 7.409 60 HA LYS 20 HA LYS 20 -7.964 -12.096 5.517 61 HB2 LYS 20 2HB LYS 20 -10.062 -13.297 7.332 62 HB3 LYS 20 1HB LYS 20 -9.615 -13.866 5.730 63 HG2 LYS 20 2HG LYS 20 -7.718 -14.873 6.463 64 HG3 LYS 20 1HG LYS 20 -7.462 -13.699 7.755 65 HD2 LYS 20 2HD LYS 20 -9.726 -15.673 7.828 66 HD3 LYS 20 1HD LYS 20 -8.117 -16.077 8.432 67 HE2 LYS 20 2HE LYS 20 -9.592 -13.628 9.351 68 HE3 LYS 20 1HE LYS 20 -9.831 -15.198 10.115 69 HZ1 LYS 20 3HZ LYS 20 -8.017 -13.497 10.949 70 HZ2 LYS 20 1HZ LYS 20 -7.081 -14.279 9.776 71 HZ3 LYS 20 2HZ LYS 20 -7.777 -15.168 11.035 72 H GLY 21 H GLY 21 -9.300 -11.515 3.857 73 HA2 GLY 21 2HA GLY 21 -11.929 -10.458 4.298 74 HA3 GLY 21 1HA GLY 21 -10.757 -9.199 3.943 75 H THR 22 H THR 22 -11.898 -8.698 2.029 76 HA THR 22 HA THR 22 -11.338 -10.572 -0.166 77 HB THR 22 HB THR 22 -13.783 -8.822 -0.171 78 HG1 THR 22 1HG THR 22 -14.935 -10.395 0.801 79 HG21 THR 22 3HG2 THR 22 -13.207 -9.810 -2.296 80 HG22 THR 22 1HG2 THR 22 -14.671 -10.554 -1.655 81 HG23 THR 22 2HG2 THR 22 -13.132 -11.411 -1.558 82 H CYS 23 H CYS 23 -10.766 -9.640 -2.144 83 HA CYS 23 HA CYS 23 -10.204 -6.749 -2.022 84 HB2 CYS 23 2HB CYS 23 -8.330 -8.716 -2.159 85 HB3 CYS 23 1HB CYS 23 -8.583 -8.380 -3.870 86 H LYS 24 H LYS 24 -11.216 -5.554 -3.464 87 HA LYS 24 HA LYS 24 -11.794 -6.621 -6.118 88 HB2 LYS 24 2HB LYS 24 -14.129 -5.684 -5.978 89 HB3 LYS 24 1HB LYS 24 -13.842 -7.120 -5.002 90 HG2 LYS 24 2HG LYS 24 -13.721 -5.828 -3.003 91 HG3 LYS 24 1HG LYS 24 -13.743 -4.317 -3.914 92 HD2 LYS 24 2HD LYS 24 -15.948 -4.352 -3.469 93 HD3 LYS 24 1HD LYS 24 -16.017 -5.498 -4.810 94 HE2 LYS 24 2HE LYS 24 -15.985 -7.358 -3.323 95 HE3 LYS 24 1HE LYS 24 -15.612 -6.325 -1.943 96 HZ1 LYS 24 3HZ LYS 24 -18.149 -6.373 -3.485 97 HZ2 LYS 24 1HZ LYS 24 -17.797 -5.263 -2.256 98 HZ3 LYS 24 2HZ LYS 24 -17.921 -6.910 -1.897 99 H SER 25 H SER 25 -12.699 -4.821 -7.551 100 HA SER 25 HA SER 25 -10.892 -2.687 -7.598 101 HB2 SER 25 2HB SER 25 -13.587 -2.918 -8.959 102 HB3 SER 25 1HB SER 25 -12.334 -1.748 -9.373 103 HG SER 25 HG SER 25 -10.968 -3.552 -9.855 104 H LEU 26 H LEU 26 -11.871 -0.326 -7.874 105 HA LEU 26 HA LEU 26 -13.108 0.278 -5.293 106 HB2 LEU 26 2HB LEU 26 -12.316 2.535 -5.613 107 HB3 LEU 26 1HB LEU 26 -11.003 1.404 -5.870 108 HG LEU 26 HG LEU 26 -12.128 1.835 -8.409 109 HD11 LEU 26 1HD1 LEU 26 -11.912 4.366 -6.802 110 HD12 LEU 26 2HD1 LEU 26 -13.280 3.787 -7.752 111 HD13 LEU 26 3HD1 LEU 26 -11.813 4.335 -8.562 112 HD21 LEU 26 3HD2 LEU 26 -9.680 3.215 -7.356 113 HD22 LEU 26 1HD2 LEU 26 -9.981 2.580 -8.973 114 HD23 LEU 26 2HD2 LEU 26 -9.722 1.473 -7.626 115 H LEU 27 H LEU 27 -14.660 -0.758 -7.557 116 HA LEU 27 HA LEU 27 -16.624 1.413 -7.683 117 HB2 LEU 27 2HB LEU 27 -15.775 -0.240 -10.063 118 HB3 LEU 27 1HB LEU 27 -17.073 0.939 -10.048 119 HG LEU 27 HG LEU 27 -14.365 1.884 -9.266 120 HD11 LEU 27 1HD1 LEU 27 -14.079 2.329 -11.822 121 HD12 LEU 27 2HD1 LEU 27 -15.116 0.912 -11.984 122 HD13 LEU 27 3HD1 LEU 27 -13.581 0.787 -11.128 123 HD21 LEU 27 3HD2 LEU 27 -15.182 3.917 -9.820 124 HD22 LEU 27 1HD2 LEU 27 -16.731 3.115 -9.559 125 HD23 LEU 27 2HD2 LEU 27 -16.097 3.297 -11.194 126 H GLN 28 H GLN 28 -16.519 -0.938 -6.045 127 HA GLN 28 HA GLN 28 -19.037 -2.160 -6.888 128 HB2 GLN 28 2HB GLN 28 -16.585 -3.725 -6.068 129 HB3 GLN 28 1HB GLN 28 -18.193 -4.413 -6.246 130 HG2 GLN 28 2HG GLN 28 -18.199 -3.883 -8.602 131 HG3 GLN 28 1HG GLN 28 -16.637 -3.080 -8.450 132 HE21 GLN 28 1HE2 GLN 28 -17.967 -5.724 -9.634 133 HE22 GLN 28 2HE2 GLN 28 -16.699 -6.874 -9.400 134 H CYS 29 H CYS 29 -16.589 -1.925 -4.326 135 HA CYS 29 HA CYS 29 -18.332 -2.728 -2.235 136 HB2 CYS 29 2HB CYS 29 -15.611 -2.256 -2.476 137 HB3 CYS 29 1HB CYS 29 -16.154 -0.976 -1.398 138 H ASP 30 H ASP 30 -20.040 -1.630 -1.548 139 HA ASP 30 HA ASP 30 -20.551 1.072 -2.151 140 HB2 ASP 30 2HB ASP 30 -22.012 -1.046 -1.116 141 HB3 ASP 30 1HB ASP 30 -21.948 0.096 0.223 142 H VAL 31 H VAL 31 -18.975 -0.495 0.538 143 HA VAL 31 HA VAL 31 -19.048 1.624 2.384 144 HB VAL 31 HB VAL 31 -18.420 -0.665 3.019 145 HG11 VAL 31 1HG1 VAL 31 -16.554 -1.770 2.292 146 HG12 VAL 31 2HG1 VAL 31 -15.669 -0.282 1.952 147 HG13 VAL 31 3HG1 VAL 31 -16.935 -0.826 0.851 148 HG21 VAL 31 3HG2 VAL 31 -16.363 -0.041 4.379 149 HG22 VAL 31 1HG2 VAL 31 -17.792 0.971 4.589 150 HG23 VAL 31 2HG2 VAL 31 -16.452 1.534 3.591 151 H ALA 32 H ALA 32 -16.815 0.839 -0.225 152 HA ALA 32 HA ALA 32 -14.844 2.753 0.387 153 HB1 ALA 32 3HB ALA 32 -14.572 2.538 -2.272 154 HB2 ALA 32 1HB ALA 32 -15.546 1.100 -1.957 155 HB3 ALA 32 2HB ALA 32 -13.998 1.314 -1.139 156 H SER 33 H SER 33 -17.820 2.936 -1.473 157 HA SER 33 HA SER 33 -17.372 5.482 -2.609 158 HB2 SER 33 2HB SER 33 -19.150 3.676 -3.206 159 HB3 SER 33 1HB SER 33 -20.123 4.467 -1.964 160 HG SER 33 HG SER 33 -20.337 6.187 -3.201 161 H LYS 34 H LYS 34 -18.970 4.456 0.372 162 HA LYS 34 HA LYS 34 -19.915 7.003 1.118 163 HB2 LYS 34 2HB LYS 34 -20.336 6.078 3.281 164 HB3 LYS 34 1HB LYS 34 -20.693 4.836 2.092 165 HG2 LYS 34 2HG LYS 34 -19.023 3.489 2.792 166 HG3 LYS 34 1HG LYS 34 -17.965 4.829 3.227 167 HD2 LYS 34 2HD LYS 34 -18.487 4.374 5.350 168 HD3 LYS 34 1HD LYS 34 -20.072 5.066 4.998 169 HE2 LYS 34 2HE LYS 34 -20.331 2.515 4.047 170 HE3 LYS 34 1HE LYS 34 -19.285 2.282 5.447 171 HZ1 LYS 34 3HZ LYS 34 -20.904 2.934 6.881 172 HZ2 LYS 34 1HZ LYS 34 -21.890 2.299 5.661 173 HZ3 LYS 34 2HZ LYS 34 -21.653 3.970 5.773 174 H ILE 35 H ILE 35 -16.814 5.437 1.502 175 HA ILE 35 HA ILE 35 -15.762 7.218 3.447 176 HB ILE 35 HB ILE 35 -14.255 5.575 1.408 177 HG12 ILE 35 2HG1 ILE 35 -14.550 4.758 4.261 178 HG13 ILE 35 1HG1 ILE 35 -15.923 4.510 3.189 179 HG21 ILE 35 1HG2 ILE 35 -12.564 6.850 2.188 180 HG22 ILE 35 2HG2 ILE 35 -12.625 5.723 3.543 181 HG23 ILE 35 3HG2 ILE 35 -13.429 7.287 3.661 182 HD11 ILE 35 3HD1 ILE 35 -13.693 3.546 1.807 183 HD12 ILE 35 1HD1 ILE 35 -14.991 2.612 2.551 184 HD13 ILE 35 2HD1 ILE 35 -13.528 2.972 3.466 185 H ILE 36 H ILE 36 -15.682 7.152 -0.081 186 HA ILE 36 HA ILE 36 -13.932 9.323 -0.454 187 HB ILE 36 HB ILE 36 -16.161 8.417 -2.278 188 HG12 ILE 36 2HG1 ILE 36 -14.497 6.648 -1.606 189 HG13 ILE 36 1HG1 ILE 36 -14.566 6.973 -3.334 190 HG21 ILE 36 1HG2 ILE 36 -14.624 9.386 -4.044 191 HG22 ILE 36 2HG2 ILE 36 -13.757 10.167 -2.723 192 HG23 ILE 36 3HG2 ILE 36 -15.456 10.546 -3.009 193 HD11 ILE 36 3HD1 ILE 36 -12.574 8.473 -3.014 194 HD12 ILE 36 1HD1 ILE 36 -12.289 6.750 -2.760 195 HD13 ILE 36 2HD1 ILE 36 -12.459 7.831 -1.375 196 H SER 37 H SER 37 -17.409 9.146 0.018 197 HA SER 37 HA SER 37 -17.895 11.905 -0.545 198 HB2 SER 37 2HB SER 37 -19.682 10.133 1.117 199 HB3 SER 37 1HB SER 37 -20.137 11.490 0.086 200 HG SER 37 HG SER 37 -20.190 9.012 -0.593 201 H LYS 38 H LYS 38 -17.031 10.067 2.286 202 HA LYS 38 HA LYS 38 -17.760 11.952 4.251 203 HB2 LYS 38 2HB LYS 38 -16.094 9.527 4.121 204 HB3 LYS 38 1HB LYS 38 -15.640 10.667 5.378 205 HG2 LYS 38 2HG LYS 38 -18.515 10.086 5.192 206 HG3 LYS 38 1HG LYS 38 -17.492 8.732 5.676 207 HD2 LYS 38 2HD LYS 38 -18.280 9.965 7.626 208 HD3 LYS 38 1HD LYS 38 -16.529 10.102 7.464 209 HE2 LYS 38 2HE LYS 38 -16.684 12.313 6.637 210 HE3 LYS 38 1HE LYS 38 -18.425 12.174 6.388 211 HZ1 LYS 38 3HZ LYS 38 -17.237 11.941 9.083 212 HZ2 LYS 38 1HZ LYS 38 -18.835 12.307 8.660 213 HZ3 LYS 38 2HZ LYS 38 -17.611 13.450 8.419 214 H LYS 39 H LYS 39 -14.746 11.420 2.488 215 HA LYS 39 HA LYS 39 -13.953 14.164 3.120 216 HB2 LYS 39 2HB LYS 39 -12.147 11.764 3.472 217 HB3 LYS 39 1HB LYS 39 -11.645 13.444 3.613 218 HG2 LYS 39 2HG LYS 39 -13.847 13.114 5.336 219 HG3 LYS 39 1HG LYS 39 -12.785 11.728 5.590 220 HD2 LYS 39 2HD LYS 39 -10.908 13.196 6.005 221 HD3 LYS 39 1HD LYS 39 -11.893 14.611 5.631 222 HE2 LYS 39 2HE LYS 39 -13.337 13.278 7.587 223 HE3 LYS 39 1HE LYS 39 -11.658 13.110 8.102 224 HZ1 LYS 39 3HZ LYS 39 -13.291 15.521 7.838 225 HZ2 LYS 39 1HZ LYS 39 -11.637 15.658 7.512 226 HZ3 LYS 39 2HZ LYS 39 -12.158 15.109 9.024 227 HA PRO 40 HA PRO 40 -13.632 13.010 -1.420 228 HB2 PRO 40 2HB PRO 40 -14.306 15.906 -1.516 229 HB3 PRO 40 1HB PRO 40 -14.938 14.571 -2.485 230 HG2 PRO 40 2HG PRO 40 -16.404 15.654 -0.544 231 HG3 PRO 40 1HG PRO 40 -16.427 13.905 -0.836 232 HD2 PRO 40 2HD PRO 40 -15.049 15.453 1.316 233 HD3 PRO 40 1HD PRO 40 -15.842 13.867 1.398 234 H ARG 41 H ARG 41 -11.570 12.908 -2.034 235 HA ARG 41 HA ARG 41 -9.419 13.474 -2.505 236 HB2 ARG 41 2HB ARG 41 -10.981 15.916 -2.945 237 HB3 ARG 41 1HB ARG 41 -9.281 16.222 -2.618 238 HG2 ARG 41 2HG ARG 41 -8.612 14.857 -4.464 239 HG3 ARG 41 1HG ARG 41 -10.273 14.320 -4.727 240 HD2 ARG 41 2HD ARG 41 -10.189 15.958 -6.300 241 HD3 ARG 41 1HD ARG 41 -10.677 16.938 -4.919 242 HE ARG 41 HE ARG 41 -8.696 18.043 -5.092 243 HH11 ARG 41 1HH1 ARG 41 -8.331 14.923 -6.613 244 HH12 ARG 41 2HH1 ARG 41 -6.723 15.243 -7.168 245 HH21 ARG 41 1HH2 ARG 41 -6.581 18.465 -5.821 246 HH22 ARG 41 2HH2 ARG 41 -5.728 17.253 -6.718 247 H THR 42 H THR 42 -8.075 13.025 -0.877 248 HA THR 42 HA THR 42 -7.273 15.106 0.921 249 HB THR 42 HB THR 42 -7.676 13.331 2.885 250 HG1 THR 42 1HG THR 42 -9.897 12.962 1.162 251 HG21 THR 42 3HG2 THR 42 -8.893 14.973 3.714 252 HG22 THR 42 1HG2 THR 42 -10.191 14.639 2.569 253 HG23 THR 42 2HG2 THR 42 -8.888 15.743 2.128 254 H ALA 43 H ALA 43 -5.211 14.815 1.598 255 HA ALA 43 HA ALA 43 -3.540 13.010 0.315 256 HB1 ALA 43 3HB ALA 43 -3.268 14.858 2.607 257 HB2 ALA 43 1HB ALA 43 -2.305 14.724 1.136 258 HB3 ALA 43 2HB ALA 43 -2.049 13.592 2.463 259 H GLN 44 H GLN 44 -5.298 12.704 3.317 260 HA GLN 44 HA GLN 44 -3.924 10.375 4.235 261 HB2 GLN 44 2HB GLN 44 -5.522 12.127 5.469 262 HB3 GLN 44 1HB GLN 44 -6.723 10.897 5.094 263 HG2 GLN 44 2HG GLN 44 -5.877 9.421 6.572 264 HG3 GLN 44 1HG GLN 44 -4.212 9.935 6.301 265 HE21 GLN 44 1HE2 GLN 44 -6.886 10.098 8.344 266 HE22 GLN 44 2HE2 GLN 44 -6.302 11.307 9.429 267 H ASP 45 H ASP 45 -6.654 10.968 2.151 268 HA ASP 45 HA ASP 45 -7.693 8.324 2.199 269 HB2 ASP 45 2HB ASP 45 -8.967 10.360 1.467 270 HB3 ASP 45 1HB ASP 45 -7.996 10.374 -0.002 271 H GLU 46 H GLU 46 -5.300 9.983 0.242 272 HA GLU 46 HA GLU 46 -5.048 7.981 -1.741 273 HB2 GLU 46 2HB GLU 46 -3.041 10.053 -0.840 274 HB3 GLU 46 1HB GLU 46 -2.934 9.109 -2.320 275 HG2 GLU 46 2HG GLU 46 -5.079 10.123 -3.052 276 HG3 GLU 46 1HG GLU 46 -5.024 11.156 -1.624 277 H LYS 47 H LYS 47 -3.281 8.612 1.260 278 HA LYS 47 HA LYS 47 -1.431 6.489 0.901 279 HB2 LYS 47 2HB LYS 47 -0.855 6.814 3.258 280 HB3 LYS 47 1HB LYS 47 -0.929 8.345 2.400 281 HG2 LYS 47 2HG LYS 47 -2.592 9.119 3.673 282 HG3 LYS 47 1HG LYS 47 -3.436 7.573 3.692 283 HD2 LYS 47 2HD LYS 47 -0.901 7.736 5.210 284 HD3 LYS 47 1HD LYS 47 -2.283 8.618 5.862 285 HE2 LYS 47 2HE LYS 47 -3.471 6.283 5.293 286 HE3 LYS 47 1HE LYS 47 -1.833 5.707 5.598 287 HZ1 LYS 47 3HZ LYS 47 -3.585 7.221 7.449 288 HZ2 LYS 47 1HZ LYS 47 -1.938 6.968 7.735 289 HZ3 LYS 47 2HZ LYS 47 -2.993 5.649 7.643 290 H PHE 48 H PHE 48 -4.573 6.739 2.444 291 HA PHE 48 HA PHE 48 -4.538 4.206 3.703 292 HB2 PHE 48 2HB PHE 48 -6.205 6.354 3.795 293 HB3 PHE 48 1HB PHE 48 -7.159 5.239 2.822 294 HD1 PHE 48 1HD PHE 48 -5.053 5.124 5.905 295 HD2 PHE 48 2HD PHE 48 -8.647 3.931 3.962 296 HE1 PHE 48 1HE PHE 48 -5.769 3.961 7.952 297 HE2 PHE 48 2HE PHE 48 -9.371 2.768 6.007 298 HZ PHE 48 HZ PHE 48 -7.931 2.783 8.006 299 H LEU 49 H LEU 49 -5.482 5.305 0.503 300 HA LEU 49 HA LEU 49 -6.769 2.926 -0.315 301 HB2 LEU 49 2HB LEU 49 -7.328 4.613 -1.730 302 HB3 LEU 49 1HB LEU 49 -5.763 5.389 -1.597 303 HG LEU 49 HG LEU 49 -4.810 3.786 -3.170 304 HD11 LEU 49 1HD1 LEU 49 -6.771 2.097 -2.434 305 HD12 LEU 49 2HD1 LEU 49 -5.838 1.927 -3.920 306 HD13 LEU 49 3HD1 LEU 49 -7.427 2.691 -3.958 307 HD21 LEU 49 3HD2 LEU 49 -5.826 4.625 -5.144 308 HD22 LEU 49 1HD2 LEU 49 -5.952 5.896 -3.927 309 HD23 LEU 49 2HD2 LEU 49 -7.358 4.905 -4.316 310 H ARG 50 H ARG 50 -3.439 4.058 -0.529 311 HA ARG 50 HA ARG 50 -2.470 1.916 -2.105 312 HB2 ARG 50 2HB ARG 50 -0.827 3.493 -0.135 313 HB3 ARG 50 1HB ARG 50 -0.292 2.731 -1.625 314 HG2 ARG 50 2HG ARG 50 -2.328 4.574 -2.301 315 HG3 ARG 50 1HG ARG 50 -1.210 5.388 -1.205 316 HD2 ARG 50 2HD ARG 50 0.664 4.745 -2.630 317 HD3 ARG 50 1HD ARG 50 -0.440 3.900 -3.714 318 HE ARG 50 HE ARG 50 -1.031 5.915 -4.631 319 HH11 ARG 50 1HH1 ARG 50 0.678 6.487 -1.643 320 HH12 ARG 50 2HH1 ARG 50 0.790 8.197 -1.888 321 HH21 ARG 50 1HH2 ARG 50 -0.883 8.164 -4.957 322 HH22 ARG 50 2HH2 ARG 50 -0.096 9.150 -3.770 323 H GLU 51 H GLU 51 -2.694 2.442 1.371 324 HA GLU 51 HA GLU 51 -1.296 0.057 2.081 325 HB2 GLU 51 2HB GLU 51 -3.169 1.784 3.708 326 HB3 GLU 51 1HB GLU 51 -2.148 0.507 4.359 327 HG2 GLU 51 2HG GLU 51 -1.058 2.882 2.876 328 HG3 GLU 51 1HG GLU 51 -1.292 2.856 4.623 329 H SER 52 H SER 52 -4.627 0.867 1.422 330 HA SER 52 HA SER 52 -5.512 -1.782 2.295 331 HB2 SER 52 2HB SER 52 -7.337 0.326 1.172 332 HB3 SER 52 1HB SER 52 -7.698 -0.951 2.334 333 HG SER 52 HG SER 52 -7.537 1.109 3.327 334 H ALA 53 H ALA 53 -3.832 -1.671 0.033 335 HA ALA 53 HA ALA 53 -5.695 -2.627 -2.035 336 HB1 ALA 53 3HB ALA 53 -4.741 -0.368 -2.578 337 HB2 ALA 53 1HB ALA 53 -4.425 -1.623 -3.776 338 HB3 ALA 53 2HB ALA 53 -3.154 -1.135 -2.654 339 H CYS 54 H CYS 54 -5.347 -4.684 -2.508 340 HA CYS 54 HA CYS 54 -2.968 -6.030 -1.599 341 HB2 CYS 54 2HB CYS 54 -4.058 -8.062 -2.466 342 HB3 CYS 54 1HB CYS 54 -5.140 -7.139 -1.429 343 H GLY 55 H GLY 55 -1.778 -4.412 -3.133 344 HA2 GLY 55 2HA GLY 55 -0.149 -5.439 -4.857 345 HA3 GLY 55 1HA GLY 55 -1.599 -5.539 -5.845 346 H PHE 56 H PHE 56 0.077 -4.204 -7.155 347 HA PHE 56 HA PHE 56 -0.702 -1.409 -6.843 348 HB2 PHE 56 2HB PHE 56 2.019 -2.457 -6.486 349 HB3 PHE 56 1HB PHE 56 1.911 -1.114 -7.619 350 HD1 PHE 56 2HD PHE 56 0.433 0.906 -6.752 351 HD2 PHE 56 1HD PHE 56 2.336 -1.977 -4.268 352 HE1 PHE 56 2HE PHE 56 0.366 2.491 -4.869 353 HE2 PHE 56 1HE PHE 56 2.273 -0.399 -2.380 354 HZ PHE 56 HZ PHE 56 1.288 1.838 -2.681 355 H ASP 57 H ASP 57 -1.875 -1.307 -8.681 356 HA ASP 57 HA ASP 57 -0.583 -2.156 -11.186 357 HB2 ASP 57 2HB ASP 57 -3.419 -2.088 -10.269 358 HB3 ASP 57 1HB ASP 57 -3.103 -1.796 -11.977 359 H GLY 58 H GLY 58 -1.322 -0.810 -13.128 360 HA2 GLY 58 2HA GLY 58 -1.184 2.042 -12.366 361 HA3 GLY 58 1HA GLY 58 -0.427 1.373 -13.803 362 H GLN 59 H GLN 59 -2.886 -0.328 -14.245 363 HA GLN 59 HA GLN 59 -4.578 1.808 -15.364 364 HB2 GLN 59 2HB GLN 59 -3.620 -0.780 -16.477 365 HB3 GLN 59 1HB GLN 59 -5.241 -0.260 -16.916 366 HG2 GLN 59 2HG GLN 59 -3.824 0.524 -18.614 367 HG3 GLN 59 1HG GLN 59 -4.221 1.931 -17.626 368 HE21 GLN 59 1HE2 GLN 59 -1.789 -0.652 -17.785 369 HE22 GLN 59 2HE2 GLN 59 -0.437 0.365 -17.441 370 H THR 60 H THR 60 -4.543 -1.348 -13.796 371 HA THR 60 HA THR 60 -7.441 -1.106 -13.337 372 HB THR 60 HB THR 60 -5.697 -3.571 -13.161 373 HG1 THR 60 1HG THR 60 -6.004 -2.804 -15.303 374 HG21 THR 60 3HG2 THR 60 -7.404 -4.688 -12.320 375 HG22 THR 60 1HG2 THR 60 -8.495 -4.061 -13.556 376 HG23 THR 60 2HG2 THR 60 -8.226 -3.147 -12.073 377 HA PRO 61 HA PRO 61 -5.701 -0.199 -9.189 378 HB2 PRO 61 2HB PRO 61 -7.824 1.274 -8.360 379 HB3 PRO 61 1HB PRO 61 -6.514 1.948 -9.336 380 HG2 PRO 61 2HG PRO 61 -9.221 1.000 -10.195 381 HG3 PRO 61 1HG PRO 61 -8.333 2.452 -10.695 382 HD2 PRO 61 2HD PRO 61 -8.438 0.213 -12.214 383 HD3 PRO 61 1HD PRO 61 -7.025 1.289 -12.196 384 H LYS 62 H LYS 62 -6.227 -1.054 -7.175 385 HA LYS 62 HA LYS 62 -8.730 -2.566 -6.959 386 HB2 LYS 62 2HB LYS 62 -6.566 -3.921 -7.656 387 HB3 LYS 62 1HB LYS 62 -6.235 -3.840 -5.933 388 HG2 LYS 62 2HG LYS 62 -7.356 -5.897 -6.418 389 HG3 LYS 62 1HG LYS 62 -8.447 -4.857 -5.503 390 HD2 LYS 62 2HD LYS 62 -9.803 -4.448 -7.332 391 HD3 LYS 62 1HD LYS 62 -8.525 -4.825 -8.490 392 HE2 LYS 62 2HE LYS 62 -8.692 -7.182 -7.947 393 HE3 LYS 62 1HE LYS 62 -9.900 -6.835 -6.710 394 HZ1 LYS 62 3HZ LYS 62 -10.226 -6.340 -9.621 395 HZ2 LYS 62 1HZ LYS 62 -11.389 -6.036 -8.429 396 HZ3 LYS 62 2HZ LYS 62 -10.912 -7.624 -8.760 397 H VAL 63 H VAL 63 -9.240 -3.210 -4.749 398 HA VAL 63 HA VAL 63 -7.833 -1.764 -2.638 399 HB VAL 63 HB VAL 63 -10.818 -1.474 -2.988 400 HG11 VAL 63 1HG1 VAL 63 -10.472 0.336 -1.283 401 HG12 VAL 63 2HG1 VAL 63 -8.830 -0.270 -1.075 402 HG13 VAL 63 3HG1 VAL 63 -10.207 -1.306 -0.697 403 HG21 VAL 63 3HG2 VAL 63 -10.418 0.808 -3.688 404 HG22 VAL 63 1HG2 VAL 63 -9.586 -0.302 -4.777 405 HG23 VAL 63 2HG2 VAL 63 -8.676 0.575 -3.548 406 H CYS 64 H CYS 64 -8.496 -2.448 -0.474 407 HA CYS 64 HA CYS 64 -9.375 -5.247 -0.500 408 HB2 CYS 64 2HB CYS 64 -7.530 -3.665 1.199 409 HB3 CYS 64 1HB CYS 64 -8.468 -4.913 2.011 410 H CYS 65 H CYS 65 -11.310 -5.771 0.215 411 HA CYS 65 HA CYS 65 -12.675 -3.967 2.100 412 HB2 CYS 65 2HB CYS 65 -13.503 -4.850 -0.546 413 HB3 CYS 65 1HB CYS 65 -14.690 -5.274 0.682 414 HA PRO 66 HA PRO 66 -12.716 -7.882 4.341 415 HB2 PRO 66 2HB PRO 66 -13.668 -6.897 6.672 416 HB3 PRO 66 1HB PRO 66 -11.987 -6.684 6.169 417 HG2 PRO 66 2HG PRO 66 -14.279 -4.767 5.974 418 HG3 PRO 66 1HG PRO 66 -12.608 -4.463 6.483 419 HD2 PRO 66 2HD PRO 66 -13.521 -3.876 3.994 420 HD3 PRO 66 1HD PRO 66 -11.839 -4.343 4.317 Start of MODEL 7 1 H GLN 11 H GLN 11 -12.392 -10.529 -4.746 2 HA GLN 11 HA GLN 11 -10.758 -12.978 -4.718 3 HB2 GLN 11 2HB GLN 11 -10.185 -10.063 -5.184 4 HB3 GLN 11 1HB GLN 11 -8.942 -11.132 -4.546 5 HG2 GLN 11 2HG GLN 11 -9.927 -12.516 -6.716 6 HG3 GLN 11 1HG GLN 11 -9.940 -10.837 -7.252 7 HE21 GLN 11 1HE2 GLN 11 -7.851 -13.155 -5.566 8 HE22 GLN 11 2HE2 GLN 11 -6.380 -12.627 -6.301 9 H ALA 12 H ALA 12 -9.408 -13.154 -2.838 10 HA ALA 12 HA ALA 12 -10.572 -11.828 -0.478 11 HB1 ALA 12 3HB ALA 12 -9.496 -14.593 -0.879 12 HB2 ALA 12 1HB ALA 12 -11.047 -14.086 -0.210 13 HB3 ALA 12 2HB ALA 12 -9.570 -13.874 0.730 14 H CYS 13 H CYS 13 -9.301 -10.361 0.429 15 HA CYS 13 HA CYS 13 -6.382 -10.766 0.308 16 HB2 CYS 13 2HB CYS 13 -6.170 -8.281 0.343 17 HB3 CYS 13 1HB CYS 13 -6.945 -8.900 -1.110 18 H THR 14 H THR 14 -5.205 -9.543 2.054 19 HA THR 14 HA THR 14 -6.681 -9.834 4.582 20 HB THR 14 HB THR 14 -4.835 -11.354 4.496 21 HG1 THR 14 1HG THR 14 -3.559 -10.539 6.222 22 HG21 THR 14 3HG2 THR 14 -2.531 -10.667 4.173 23 HG22 THR 14 1HG2 THR 14 -3.057 -9.016 3.851 24 HG23 THR 14 2HG2 THR 14 -3.503 -10.313 2.744 25 H LEU 15 H LEU 15 -7.285 -7.992 5.477 26 HA LEU 15 HA LEU 15 -6.452 -5.447 4.685 27 HB2 LEU 15 2HB LEU 15 -7.438 -4.764 6.965 28 HB3 LEU 15 1HB LEU 15 -8.499 -5.496 5.777 29 HG LEU 15 HG LEU 15 -7.254 -7.409 7.633 30 HD11 LEU 15 1HD1 LEU 15 -7.953 -5.124 8.861 31 HD12 LEU 15 2HD1 LEU 15 -8.115 -6.718 9.599 32 HD13 LEU 15 3HD1 LEU 15 -9.512 -5.950 8.845 33 HD21 LEU 15 3HD2 LEU 15 -9.300 -7.465 5.858 34 HD22 LEU 15 1HD2 LEU 15 -10.171 -7.190 7.367 35 HD23 LEU 15 2HD2 LEU 15 -9.116 -8.593 7.203 36 HA PRO 16 HA PRO 16 -2.649 -4.411 6.634 37 HB2 PRO 16 2HB PRO 16 -3.431 -2.237 8.233 38 HB3 PRO 16 1HB PRO 16 -2.861 -2.155 6.564 39 HG2 PRO 16 2HG PRO 16 -5.648 -2.144 7.620 40 HG3 PRO 16 1HG PRO 16 -4.968 -1.284 6.226 41 HD2 PRO 16 2HD PRO 16 -6.502 -3.448 5.901 42 HD3 PRO 16 1HD PRO 16 -5.096 -3.157 4.854 43 H ASN 17 H ASN 17 -5.491 -4.798 8.628 44 HA ASN 17 HA ASN 17 -3.964 -5.127 11.065 45 HB2 ASN 17 2HB ASN 17 -6.584 -4.404 10.508 46 HB3 ASN 17 1HB ASN 17 -6.737 -6.031 11.165 47 HD21 ASN 17 1HD2 ASN 17 -5.823 -6.449 13.254 48 HD22 ASN 17 2HD2 ASN 17 -5.692 -5.169 14.407 49 H ASN 18 H ASN 18 -4.989 -7.090 8.471 50 HA ASN 18 HA ASN 18 -4.704 -9.301 8.025 51 HB2 ASN 18 2HB ASN 18 -2.780 -8.752 10.039 52 HB3 ASN 18 1HB ASN 18 -3.526 -10.295 10.444 53 HD21 ASN 18 1HD2 ASN 18 -2.191 -11.825 9.806 54 HD22 ASN 18 2HD2 ASN 18 -1.432 -11.928 8.257 55 H ASP 19 H ASP 19 -6.961 -9.592 8.129 56 HA ASP 19 HA ASP 19 -7.780 -11.436 10.197 57 HB2 ASP 19 2HB ASP 19 -9.173 -8.779 9.831 58 HB3 ASP 19 1HB ASP 19 -9.863 -10.139 10.712 59 H LYS 20 H LYS 20 -7.386 -11.303 7.236 60 HA LYS 20 HA LYS 20 -8.335 -12.192 5.372 61 HB2 LYS 20 2HB LYS 20 -10.565 -13.161 7.159 62 HB3 LYS 20 1HB LYS 20 -10.055 -13.835 5.618 63 HG2 LYS 20 2HG LYS 20 -8.330 -14.976 6.527 64 HG3 LYS 20 1HG LYS 20 -8.016 -13.743 7.749 65 HD2 LYS 20 2HD LYS 20 -10.506 -14.708 8.443 66 HD3 LYS 20 1HD LYS 20 -9.649 -16.151 7.898 67 HE2 LYS 20 2HE LYS 20 -8.043 -15.982 9.549 68 HE3 LYS 20 1HE LYS 20 -8.302 -14.251 9.766 69 HZ1 LYS 20 3HZ LYS 20 -10.204 -16.379 10.586 70 HZ2 LYS 20 1HZ LYS 20 -10.400 -14.718 10.836 71 HZ3 LYS 20 2HZ LYS 20 -9.158 -15.552 11.626 72 H GLY 21 H GLY 21 -9.609 -11.436 3.747 73 HA2 GLY 21 2HA GLY 21 -12.127 -10.155 4.232 74 HA3 GLY 21 1HA GLY 21 -10.849 -8.997 3.894 75 H THR 22 H THR 22 -12.169 -8.429 2.041 76 HA THR 22 HA THR 22 -11.740 -10.271 -0.217 77 HB THR 22 HB THR 22 -14.025 -8.309 0.034 78 HG1 THR 22 1HG THR 22 -15.288 -10.132 0.506 79 HG21 THR 22 3HG2 THR 22 -14.887 -9.127 -1.895 80 HG22 THR 22 1HG2 THR 22 -14.122 -10.704 -1.704 81 HG23 THR 22 2HG2 THR 22 -13.171 -9.322 -2.246 82 H CYS 23 H CYS 23 -11.108 -9.360 -2.189 83 HA CYS 23 HA CYS 23 -10.232 -6.550 -2.011 84 HB2 CYS 23 2HB CYS 23 -8.579 -8.686 -2.220 85 HB3 CYS 23 1HB CYS 23 -8.845 -8.328 -3.923 86 H LYS 24 H LYS 24 -11.159 -5.218 -3.378 87 HA LYS 24 HA LYS 24 -11.865 -6.105 -6.064 88 HB2 LYS 24 2HB LYS 24 -14.110 -4.981 -5.846 89 HB3 LYS 24 1HB LYS 24 -13.937 -6.480 -4.943 90 HG2 LYS 24 2HG LYS 24 -13.708 -5.313 -2.887 91 HG3 LYS 24 1HG LYS 24 -13.565 -3.762 -3.714 92 HD2 LYS 24 2HD LYS 24 -15.763 -3.572 -3.297 93 HD3 LYS 24 1HD LYS 24 -15.954 -4.674 -4.662 94 HE2 LYS 24 2HE LYS 24 -15.691 -5.545 -1.788 95 HE3 LYS 24 1HE LYS 24 -17.226 -5.344 -2.629 96 HZ1 LYS 24 3HZ LYS 24 -16.298 -6.977 -4.304 97 HZ2 LYS 24 1HZ LYS 24 -16.716 -7.607 -2.790 98 HZ3 LYS 24 2HZ LYS 24 -15.093 -7.321 -3.169 99 H SER 25 H SER 25 -12.623 -4.161 -7.399 100 HA SER 25 HA SER 25 -10.636 -2.215 -7.424 101 HB2 SER 25 2HB SER 25 -12.482 -0.932 -8.825 102 HB3 SER 25 1HB SER 25 -11.705 -2.381 -9.463 103 HG SER 25 HG SER 25 -14.167 -2.355 -8.051 104 H LEU 26 H LEU 26 -11.400 0.256 -7.508 105 HA LEU 26 HA LEU 26 -12.352 0.814 -4.800 106 HB2 LEU 26 2HB LEU 26 -11.416 3.045 -5.125 107 HB3 LEU 26 1HB LEU 26 -10.222 1.797 -5.427 108 HG LEU 26 HG LEU 26 -11.098 2.176 -7.942 109 HD11 LEU 26 1HD1 LEU 26 -12.597 3.897 -7.772 110 HD12 LEU 26 2HD1 LEU 26 -11.107 4.798 -8.055 111 HD13 LEU 26 3HD1 LEU 26 -11.751 4.649 -6.420 112 HD21 LEU 26 3HD2 LEU 26 -9.083 4.045 -6.734 113 HD22 LEU 26 1HD2 LEU 26 -9.087 3.317 -8.340 114 HD23 LEU 26 2HD2 LEU 26 -8.768 2.320 -6.920 115 H LEU 27 H LEU 27 -14.186 0.050 -6.940 116 HA LEU 27 HA LEU 27 -16.000 2.316 -6.701 117 HB2 LEU 27 2HB LEU 27 -16.621 1.932 -9.177 118 HB3 LEU 27 1HB LEU 27 -15.213 2.903 -8.796 119 HG LEU 27 HG LEU 27 -13.988 0.549 -9.060 120 HD11 LEU 27 1HD1 LEU 27 -16.482 -0.257 -9.679 121 HD12 LEU 27 2HD1 LEU 27 -15.020 -1.008 -10.317 122 HD13 LEU 27 3HD1 LEU 27 -15.890 0.186 -11.279 123 HD21 LEU 27 3HD2 LEU 27 -14.015 2.864 -10.424 124 HD22 LEU 27 1HD2 LEU 27 -14.661 1.778 -11.655 125 HD23 LEU 27 2HD2 LEU 27 -13.090 1.449 -10.924 126 H GLN 28 H GLN 28 -15.812 -0.386 -5.577 127 HA GLN 28 HA GLN 28 -18.416 -1.390 -6.506 128 HB2 GLN 28 2HB GLN 28 -15.979 -3.027 -5.796 129 HB3 GLN 28 1HB GLN 28 -17.588 -3.703 -6.008 130 HG2 GLN 28 2HG GLN 28 -16.546 -2.049 -8.220 131 HG3 GLN 28 1HG GLN 28 -15.767 -3.608 -7.955 132 HE21 GLN 28 1HE2 GLN 28 -18.955 -2.117 -8.317 133 HE22 GLN 28 2HE2 GLN 28 -19.679 -3.451 -9.143 134 H CYS 29 H CYS 29 -16.043 -1.381 -3.866 135 HA CYS 29 HA CYS 29 -17.687 -2.451 -1.874 136 HB2 CYS 29 2HB CYS 29 -15.090 -1.622 -1.985 137 HB3 CYS 29 1HB CYS 29 -15.805 -0.362 -0.986 138 H ASP 30 H ASP 30 -19.542 -1.712 -1.111 139 HA ASP 30 HA ASP 30 -20.622 0.801 -1.661 140 HB2 ASP 30 2HB ASP 30 -21.518 -1.550 -0.478 141 HB3 ASP 30 1HB ASP 30 -21.660 -0.354 0.804 142 H VAL 31 H VAL 31 -18.867 -0.360 1.167 143 HA VAL 31 HA VAL 31 -19.231 1.952 2.750 144 HB VAL 31 HB VAL 31 -18.514 -0.206 3.698 145 HG11 VAL 31 1HG1 VAL 31 -16.954 -0.738 1.791 146 HG12 VAL 31 2HG1 VAL 31 -16.337 -1.089 3.407 147 HG13 VAL 31 3HG1 VAL 31 -15.792 0.352 2.546 148 HG21 VAL 31 3HG2 VAL 31 -18.085 1.422 5.238 149 HG22 VAL 31 1HG2 VAL 31 -16.991 2.301 4.169 150 HG23 VAL 31 2HG2 VAL 31 -16.443 0.832 4.975 151 H ALA 32 H ALA 32 -16.769 1.008 0.418 152 HA ALA 32 HA ALA 32 -14.984 3.138 0.912 153 HB1 ALA 32 3HB ALA 32 -14.051 2.592 -1.311 154 HB2 ALA 32 1HB ALA 32 -15.408 1.497 -1.582 155 HB3 ALA 32 2HB ALA 32 -14.258 1.172 -0.285 156 H SER 33 H SER 33 -17.782 2.797 -1.183 157 HA SER 33 HA SER 33 -17.428 5.181 -2.650 158 HB2 SER 33 2HB SER 33 -19.103 3.075 -2.884 159 HB3 SER 33 1HB SER 33 -20.199 4.258 -2.171 160 HG SER 33 HG SER 33 -20.275 5.213 -4.030 161 H LYS 34 H LYS 34 -19.109 4.472 0.371 162 HA LYS 34 HA LYS 34 -20.350 7.005 0.615 163 HB2 LYS 34 2HB LYS 34 -20.893 6.376 2.859 164 HB3 LYS 34 1HB LYS 34 -21.053 4.949 1.848 165 HG2 LYS 34 2HG LYS 34 -19.398 3.853 2.901 166 HG3 LYS 34 1HG LYS 34 -18.430 5.305 3.138 167 HD2 LYS 34 2HD LYS 34 -19.326 5.725 5.162 168 HD3 LYS 34 1HD LYS 34 -20.943 5.227 4.660 169 HE2 LYS 34 2HE LYS 34 -18.682 3.321 5.246 170 HE3 LYS 34 1HE LYS 34 -19.917 3.782 6.416 171 HZ1 LYS 34 3HZ LYS 34 -20.883 2.812 3.853 172 HZ2 LYS 34 1HZ LYS 34 -21.467 2.514 5.413 173 HZ3 LYS 34 2HZ LYS 34 -20.124 1.663 4.834 174 H ILE 35 H ILE 35 -17.191 5.789 1.493 175 HA ILE 35 HA ILE 35 -16.475 7.964 3.190 176 HB ILE 35 HB ILE 35 -14.629 6.127 1.661 177 HG12 ILE 35 2HG1 ILE 35 -15.310 5.753 4.547 178 HG13 ILE 35 1HG1 ILE 35 -16.446 5.182 3.331 179 HG21 ILE 35 1HG2 ILE 35 -12.901 7.041 2.755 180 HG22 ILE 35 2HG2 ILE 35 -13.799 7.162 4.268 181 HG23 ILE 35 3HG2 ILE 35 -13.991 8.401 3.029 182 HD11 ILE 35 3HD1 ILE 35 -15.201 3.401 2.882 183 HD12 ILE 35 1HD1 ILE 35 -14.283 3.805 4.333 184 HD13 ILE 35 2HD1 ILE 35 -13.729 4.364 2.754 185 H ILE 36 H ILE 36 -16.176 7.321 -0.248 186 HA ILE 36 HA ILE 36 -14.504 9.572 -0.807 187 HB ILE 36 HB ILE 36 -16.247 7.986 -2.696 188 HG12 ILE 36 2HG1 ILE 36 -14.532 6.670 -1.406 189 HG13 ILE 36 1HG1 ILE 36 -14.332 6.623 -3.153 190 HG21 ILE 36 1HG2 ILE 36 -15.547 10.199 -3.546 191 HG22 ILE 36 2HG2 ILE 36 -14.862 8.858 -4.466 192 HG23 ILE 36 3HG2 ILE 36 -13.864 9.730 -3.302 193 HD11 ILE 36 3HD1 ILE 36 -12.623 7.847 -1.069 194 HD12 ILE 36 1HD1 ILE 36 -12.706 8.653 -2.635 195 HD13 ILE 36 2HD1 ILE 36 -12.180 6.973 -2.535 196 H SER 37 H SER 37 -17.956 8.987 -0.713 197 HA SER 37 HA SER 37 -18.491 11.684 -1.722 198 HB2 SER 37 2HB SER 37 -19.760 9.723 -2.644 199 HB3 SER 37 1HB SER 37 -20.491 9.515 -1.054 200 HG SER 37 HG SER 37 -21.908 10.795 -2.053 201 H LYS 38 H LYS 38 -17.931 10.217 1.199 202 HA LYS 38 HA LYS 38 -19.909 11.213 2.891 203 HB2 LYS 38 2HB LYS 38 -17.398 9.913 3.161 204 HB3 LYS 38 1HB LYS 38 -17.386 11.308 4.231 205 HG2 LYS 38 2HG LYS 38 -19.869 10.179 4.664 206 HG3 LYS 38 1HG LYS 38 -18.797 8.790 4.473 207 HD2 LYS 38 2HD LYS 38 -18.151 11.103 6.286 208 HD3 LYS 38 1HD LYS 38 -19.069 9.696 6.828 209 HE2 LYS 38 2HE LYS 38 -16.475 9.257 5.436 210 HE3 LYS 38 1HE LYS 38 -16.449 9.820 7.107 211 HZ1 LYS 38 3HZ LYS 38 -16.459 7.298 6.599 212 HZ2 LYS 38 1HZ LYS 38 -18.123 7.514 6.377 213 HZ3 LYS 38 2HZ LYS 38 -17.412 7.893 7.864 214 H LYS 39 H LYS 39 -16.634 12.550 2.876 215 HA LYS 39 HA LYS 39 -17.549 15.223 2.368 216 HB2 LYS 39 2HB LYS 39 -17.099 14.278 5.127 217 HB3 LYS 39 1HB LYS 39 -16.311 15.796 4.722 218 HG2 LYS 39 2HG LYS 39 -19.250 15.222 4.409 219 HG3 LYS 39 1HG LYS 39 -18.513 16.134 5.727 220 HD2 LYS 39 2HD LYS 39 -17.620 17.727 4.024 221 HD3 LYS 39 1HD LYS 39 -18.554 16.864 2.800 222 HE2 LYS 39 2HE LYS 39 -19.884 17.923 5.263 223 HE3 LYS 39 1HE LYS 39 -19.556 18.987 3.897 224 HZ1 LYS 39 3HZ LYS 39 -21.700 18.188 3.533 225 HZ2 LYS 39 1HZ LYS 39 -21.306 16.607 3.992 226 HZ3 LYS 39 2HZ LYS 39 -20.742 17.227 2.524 227 HA PRO 40 HA PRO 40 -12.796 15.404 2.878 228 HB2 PRO 40 2HB PRO 40 -11.472 13.357 4.037 229 HB3 PRO 40 1HB PRO 40 -12.197 14.666 4.978 230 HG2 PRO 40 2HG PRO 40 -13.251 11.917 4.433 231 HG3 PRO 40 1HG PRO 40 -13.235 12.827 5.955 232 HD2 PRO 40 2HD PRO 40 -15.433 12.644 4.373 233 HD3 PRO 40 1HD PRO 40 -15.090 14.061 5.383 234 H ARG 41 H ARG 41 -11.091 14.713 1.515 235 HA ARG 41 HA ARG 41 -10.842 12.208 0.320 236 HB2 ARG 41 2HB ARG 41 -11.711 12.774 -1.979 237 HB3 ARG 41 1HB ARG 41 -12.945 12.506 -0.755 238 HG2 ARG 41 2HG ARG 41 -13.123 14.968 -0.478 239 HG3 ARG 41 1HG ARG 41 -12.005 15.155 -1.831 240 HD2 ARG 41 2HD ARG 41 -13.673 13.648 -3.109 241 HD3 ARG 41 1HD ARG 41 -14.800 14.078 -1.825 242 HE ARG 41 HE ARG 41 -14.969 16.182 -2.717 243 HH11 ARG 41 1HH1 ARG 41 -12.220 14.563 -4.132 244 HH12 ARG 41 2HH1 ARG 41 -11.957 15.788 -5.327 245 HH21 ARG 41 1HH2 ARG 41 -14.625 17.793 -4.290 246 HH22 ARG 41 2HH2 ARG 41 -13.321 17.621 -5.417 247 H THR 42 H THR 42 -8.725 13.043 0.927 248 HA THR 42 HA THR 42 -7.592 14.784 -1.164 249 HB THR 42 HB THR 42 -6.059 15.703 0.424 250 HG1 THR 42 1HG THR 42 -7.141 13.939 2.359 251 HG21 THR 42 3HG2 THR 42 -7.869 16.131 2.428 252 HG22 THR 42 1HG2 THR 42 -8.900 15.784 1.040 253 HG23 THR 42 2HG2 THR 42 -7.714 17.087 0.953 254 H ALA 43 H ALA 43 -4.939 14.475 -0.666 255 HA ALA 43 HA ALA 43 -4.287 12.119 -1.996 256 HB1 ALA 43 3HB ALA 43 -2.274 13.399 -0.213 257 HB2 ALA 43 1HB ALA 43 -2.930 14.321 -1.564 258 HB3 ALA 43 2HB ALA 43 -2.099 12.794 -1.861 259 H GLN 44 H GLN 44 -4.554 12.785 1.432 260 HA GLN 44 HA GLN 44 -3.186 10.565 2.440 261 HB2 GLN 44 2HB GLN 44 -4.507 12.684 3.539 262 HB3 GLN 44 1HB GLN 44 -5.598 11.361 3.932 263 HG2 GLN 44 2HG GLN 44 -3.288 10.242 4.671 264 HG3 GLN 44 1HG GLN 44 -2.876 11.939 4.918 265 HE21 GLN 44 1HE2 GLN 44 -3.047 10.034 6.969 266 HE22 GLN 44 2HE2 GLN 44 -4.347 10.477 8.015 267 H ASP 45 H ASP 45 -6.404 10.875 1.114 268 HA ASP 45 HA ASP 45 -7.392 8.380 2.059 269 HB2 ASP 45 2HB ASP 45 -8.447 10.586 0.696 270 HB3 ASP 45 1HB ASP 45 -8.624 9.236 -0.420 271 H GLU 46 H GLU 46 -5.679 9.403 -0.833 272 HA GLU 46 HA GLU 46 -6.034 6.992 -2.280 273 HB2 GLU 46 2HB GLU 46 -4.959 9.500 -2.806 274 HB3 GLU 46 1HB GLU 46 -3.581 8.416 -2.931 275 HG2 GLU 46 2HG GLU 46 -5.873 7.318 -4.284 276 HG3 GLU 46 1HG GLU 46 -5.508 8.939 -4.870 277 H LYS 47 H LYS 47 -3.553 8.123 -0.051 278 HA LYS 47 HA LYS 47 -1.765 5.968 -0.503 279 HB2 LYS 47 2HB LYS 47 -0.701 6.672 1.613 280 HB3 LYS 47 1HB LYS 47 -0.969 8.020 0.518 281 HG2 LYS 47 2HG LYS 47 -2.779 8.825 1.796 282 HG3 LYS 47 1HG LYS 47 -2.858 7.343 2.750 283 HD2 LYS 47 2HD LYS 47 -0.332 8.928 2.752 284 HD3 LYS 47 1HD LYS 47 -1.703 9.510 3.700 285 HE2 LYS 47 2HE LYS 47 -0.836 6.659 3.930 286 HE3 LYS 47 1HE LYS 47 0.057 7.917 4.782 287 HZ1 LYS 47 3HZ LYS 47 -2.628 6.898 5.260 288 HZ2 LYS 47 1HZ LYS 47 -2.408 8.562 5.479 289 HZ3 LYS 47 2HZ LYS 47 -1.473 7.461 6.359 290 H PHE 48 H PHE 48 -4.444 6.503 1.703 291 HA PHE 48 HA PHE 48 -4.052 4.252 3.340 292 HB2 PHE 48 2HB PHE 48 -6.298 6.104 2.765 293 HB3 PHE 48 1HB PHE 48 -6.723 4.548 3.474 294 HD1 PHE 48 1HD PHE 48 -4.726 3.958 5.383 295 HD2 PHE 48 2HD PHE 48 -6.338 7.758 4.344 296 HE1 PHE 48 1HE PHE 48 -4.136 4.813 7.613 297 HE2 PHE 48 2HE PHE 48 -5.749 8.620 6.572 298 HZ PHE 48 HZ PHE 48 -4.648 7.147 8.210 299 H LEU 49 H LEU 49 -5.995 4.701 0.411 300 HA LEU 49 HA LEU 49 -6.918 2.000 0.372 301 HB2 LEU 49 2HB LEU 49 -7.596 2.529 -1.980 302 HB3 LEU 49 1HB LEU 49 -8.256 3.602 -0.763 303 HG LEU 49 HG LEU 49 -6.146 5.071 -1.427 304 HD11 LEU 49 1HD1 LEU 49 -5.570 3.132 -3.092 305 HD12 LEU 49 2HD1 LEU 49 -5.340 4.817 -3.558 306 HD13 LEU 49 3HD1 LEU 49 -6.765 3.935 -4.109 307 HD21 LEU 49 3HD2 LEU 49 -8.810 4.848 -2.780 308 HD22 LEU 49 1HD2 LEU 49 -7.655 6.107 -3.217 309 HD23 LEU 49 2HD2 LEU 49 -8.276 6.013 -1.568 310 H ARG 50 H ARG 50 -4.178 3.714 -0.946 311 HA ARG 50 HA ARG 50 -3.300 1.698 -2.732 312 HB2 ARG 50 2HB ARG 50 -1.957 4.045 -1.415 313 HB3 ARG 50 1HB ARG 50 -1.043 2.918 -2.407 314 HG2 ARG 50 2HG ARG 50 -3.506 3.973 -3.623 315 HG3 ARG 50 1HG ARG 50 -2.214 5.145 -3.350 316 HD2 ARG 50 2HD ARG 50 -1.870 2.517 -4.788 317 HD3 ARG 50 1HD ARG 50 -2.131 4.068 -5.587 318 HE ARG 50 HE ARG 50 0.024 4.542 -4.030 319 HH11 ARG 50 1HH1 ARG 50 -0.725 2.049 -6.355 320 HH12 ARG 50 2HH1 ARG 50 0.926 1.816 -6.824 321 HH21 ARG 50 1HH2 ARG 50 2.196 4.237 -4.646 322 HH22 ARG 50 2HH2 ARG 50 2.584 3.057 -5.854 323 H GLU 51 H GLU 51 -2.754 2.334 0.679 324 HA GLU 51 HA GLU 51 -0.683 0.393 0.993 325 HB2 GLU 51 2HB GLU 51 -2.166 2.250 2.698 326 HB3 GLU 51 1HB GLU 51 -1.787 0.732 3.502 327 HG2 GLU 51 2HG GLU 51 0.568 1.452 2.218 328 HG3 GLU 51 1HG GLU 51 -0.074 2.962 2.861 329 H SER 52 H SER 52 -4.175 0.369 1.272 330 HA SER 52 HA SER 52 -4.139 -2.401 2.213 331 HB2 SER 52 2HB SER 52 -6.570 -0.664 1.766 332 HB3 SER 52 1HB SER 52 -6.453 -2.128 2.741 333 HG SER 52 HG SER 52 -5.075 -0.984 4.156 334 H ALA 53 H ALA 53 -3.226 -1.908 -0.424 335 HA ALA 53 HA ALA 53 -5.413 -3.018 -2.054 336 HB1 ALA 53 3HB ALA 53 -2.957 -1.942 -3.332 337 HB2 ALA 53 1HB ALA 53 -4.097 -0.795 -2.629 338 HB3 ALA 53 2HB ALA 53 -4.632 -1.910 -3.887 339 H CYS 54 H CYS 54 -5.272 -5.083 -2.620 340 HA CYS 54 HA CYS 54 -2.987 -6.657 -1.950 341 HB2 CYS 54 2HB CYS 54 -4.269 -8.516 -3.007 342 HB3 CYS 54 1HB CYS 54 -5.187 -7.641 -1.786 343 H GLY 55 H GLY 55 -1.454 -5.370 -3.267 344 HA2 GLY 55 2HA GLY 55 -0.173 -6.511 -5.221 345 HA3 GLY 55 1HA GLY 55 -1.571 -5.972 -6.140 346 H PHE 56 H PHE 56 0.522 -5.002 -7.203 347 HA PHE 56 HA PHE 56 0.640 -2.219 -6.296 348 HB2 PHE 56 2HB PHE 56 3.074 -3.821 -7.111 349 HB3 PHE 56 1HB PHE 56 3.054 -2.120 -6.655 350 HD1 PHE 56 1HD PHE 56 2.428 -5.541 -5.379 351 HD2 PHE 56 2HD PHE 56 3.243 -1.477 -4.417 352 HE1 PHE 56 1HE PHE 56 2.788 -6.173 -3.029 353 HE2 PHE 56 2HE PHE 56 3.607 -2.102 -2.065 354 HZ PHE 56 HZ PHE 56 3.379 -4.454 -1.368 355 H ASP 57 H ASP 57 -0.995 -2.402 -8.155 356 HA ASP 57 HA ASP 57 0.379 -2.242 -10.750 357 HB2 ASP 57 2HB ASP 57 -1.980 -3.570 -9.973 358 HB3 ASP 57 1HB ASP 57 -2.499 -2.211 -10.966 359 H GLY 58 H GLY 58 -0.256 -0.559 -12.236 360 HA2 GLY 58 2HA GLY 58 -0.982 1.911 -10.802 361 HA3 GLY 58 1HA GLY 58 -0.037 1.838 -12.282 362 H GLN 59 H GLN 59 -1.591 0.200 -13.857 363 HA GLN 59 HA GLN 59 -3.704 2.021 -14.584 364 HB2 GLN 59 2HB GLN 59 -2.267 -0.209 -15.839 365 HB3 GLN 59 1HB GLN 59 -3.971 -0.133 -16.264 366 HG2 GLN 59 2HG GLN 59 -1.927 2.043 -16.620 367 HG3 GLN 59 1HG GLN 59 -2.676 1.073 -17.886 368 HE21 GLN 59 1HE2 GLN 59 -2.627 4.022 -17.200 369 HE22 GLN 59 2HE2 GLN 59 -4.288 4.491 -17.252 370 H THR 60 H THR 60 -3.418 -1.065 -13.000 371 HA THR 60 HA THR 60 -6.342 -1.365 -13.004 372 HB THR 60 HB THR 60 -4.597 -3.506 -11.908 373 HG1 THR 60 1HG THR 60 -3.508 -3.712 -13.668 374 HG21 THR 60 3HG2 THR 60 -7.258 -3.322 -12.684 375 HG22 THR 60 1HG2 THR 60 -6.368 -4.781 -12.251 376 HG23 THR 60 2HG2 THR 60 -6.476 -4.283 -13.939 377 HA PRO 61 HA PRO 61 -5.505 0.235 -8.765 378 HB2 PRO 61 2HB PRO 61 -7.911 1.470 -8.509 379 HB3 PRO 61 1HB PRO 61 -6.523 2.224 -9.300 380 HG2 PRO 61 2HG PRO 61 -8.878 0.839 -10.523 381 HG3 PRO 61 1HG PRO 61 -8.089 2.348 -11.017 382 HD2 PRO 61 2HD PRO 61 -7.624 -0.006 -12.266 383 HD3 PRO 61 1HD PRO 61 -6.377 1.245 -12.101 384 H LYS 62 H LYS 62 -5.933 -0.914 -6.982 385 HA LYS 62 HA LYS 62 -8.470 -2.370 -6.788 386 HB2 LYS 62 2HB LYS 62 -5.708 -3.538 -6.573 387 HB3 LYS 62 1HB LYS 62 -7.077 -4.289 -5.764 388 HG2 LYS 62 2HG LYS 62 -8.217 -4.494 -7.936 389 HG3 LYS 62 1HG LYS 62 -6.795 -3.809 -8.723 390 HD2 LYS 62 2HD LYS 62 -5.609 -5.720 -8.533 391 HD3 LYS 62 1HD LYS 62 -6.273 -6.092 -6.940 392 HE2 LYS 62 2HE LYS 62 -7.283 -7.751 -8.114 393 HE3 LYS 62 1HE LYS 62 -8.471 -6.477 -8.391 394 HZ1 LYS 62 3HZ LYS 62 -6.221 -6.892 -10.256 395 HZ2 LYS 62 1HZ LYS 62 -7.698 -6.116 -10.536 396 HZ3 LYS 62 2HZ LYS 62 -7.641 -7.800 -10.390 397 H VAL 63 H VAL 63 -9.006 -3.035 -4.604 398 HA VAL 63 HA VAL 63 -7.491 -1.757 -2.460 399 HB VAL 63 HB VAL 63 -10.459 -1.292 -2.755 400 HG11 VAL 63 1HG1 VAL 63 -9.705 0.567 -1.041 401 HG12 VAL 63 2HG1 VAL 63 -8.400 -0.578 -0.731 402 HG13 VAL 63 3HG1 VAL 63 -10.079 -1.072 -0.510 403 HG21 VAL 63 3HG2 VAL 63 -8.117 0.408 -3.546 404 HG22 VAL 63 1HG2 VAL 63 -9.676 1.123 -3.132 405 HG23 VAL 63 2HG2 VAL 63 -9.554 -0.005 -4.483 406 H CYS 64 H CYS 64 -8.080 -2.517 -0.332 407 HA CYS 64 HA CYS 64 -9.236 -5.216 -0.431 408 HB2 CYS 64 2HB CYS 64 -6.839 -4.812 0.391 409 HB3 CYS 64 1HB CYS 64 -7.575 -4.098 1.822 410 H CYS 65 H CYS 65 -11.148 -5.562 0.452 411 HA CYS 65 HA CYS 65 -12.145 -3.652 2.462 412 HB2 CYS 65 2HB CYS 65 -13.444 -4.878 0.080 413 HB3 CYS 65 1HB CYS 65 -14.438 -4.645 1.515 414 HA PRO 66 HA PRO 66 -12.177 -7.331 5.029 415 HB2 PRO 66 2HB PRO 66 -13.355 -6.196 7.203 416 HB3 PRO 66 1HB PRO 66 -11.647 -5.974 6.805 417 HG2 PRO 66 2HG PRO 66 -13.966 -4.155 6.278 418 HG3 PRO 66 1HG PRO 66 -12.341 -3.756 6.867 419 HD2 PRO 66 2HD PRO 66 -13.072 -3.399 4.290 420 HD3 PRO 66 1HD PRO 66 -11.417 -3.847 4.753 Start of MODEL 8 1 H GLN 11 H GLN 11 -11.854 -11.113 -5.050 2 HA GLN 11 HA GLN 11 -10.497 -13.197 -5.143 3 HB2 GLN 11 2HB GLN 11 -8.798 -11.461 -6.509 4 HB3 GLN 11 1HB GLN 11 -8.042 -11.646 -4.933 5 HG2 GLN 11 2HG GLN 11 -7.861 -13.990 -5.190 6 HG3 GLN 11 1HG GLN 11 -8.916 -13.984 -6.603 7 HE21 GLN 11 1HE2 GLN 11 -5.735 -13.292 -5.390 8 HE22 GLN 11 2HE2 GLN 11 -4.959 -13.138 -6.927 9 H ALA 12 H ALA 12 -9.529 -13.841 -3.145 10 HA ALA 12 HA ALA 12 -10.398 -12.256 -0.923 11 HB1 ALA 12 3HB ALA 12 -8.640 -14.619 -0.526 12 HB2 ALA 12 1HB ALA 12 -10.236 -14.874 -1.231 13 HB3 ALA 12 2HB ALA 12 -10.084 -14.121 0.356 14 H CYS 13 H CYS 13 -9.281 -10.785 0.161 15 HA CYS 13 HA CYS 13 -6.344 -10.790 -0.075 16 HB2 CYS 13 2HB CYS 13 -6.857 -8.879 -1.250 17 HB3 CYS 13 1HB CYS 13 -8.333 -8.584 -0.341 18 H THR 14 H THR 14 -5.161 -9.998 1.742 19 HA THR 14 HA THR 14 -6.593 -10.413 4.273 20 HB THR 14 HB THR 14 -4.731 -11.940 3.887 21 HG1 THR 14 1HG THR 14 -3.548 -11.442 5.792 22 HG21 THR 14 3HG2 THR 14 -2.546 -10.108 4.230 23 HG22 THR 14 1HG2 THR 14 -3.432 -9.762 2.746 24 HG23 THR 14 2HG2 THR 14 -2.778 -11.376 3.025 25 H LEU 15 H LEU 15 -7.138 -8.639 5.331 26 HA LEU 15 HA LEU 15 -6.276 -6.051 4.741 27 HB2 LEU 15 2HB LEU 15 -7.187 -5.547 7.096 28 HB3 LEU 15 1HB LEU 15 -8.295 -6.169 5.887 29 HG LEU 15 HG LEU 15 -7.019 -8.237 7.544 30 HD11 LEU 15 1HD1 LEU 15 -7.675 -6.039 8.960 31 HD12 LEU 15 2HD1 LEU 15 -7.784 -7.685 9.584 32 HD13 LEU 15 3HD1 LEU 15 -9.222 -6.887 8.948 33 HD21 LEU 15 3HD2 LEU 15 -9.909 -8.112 7.505 34 HD22 LEU 15 1HD2 LEU 15 -8.825 -9.370 6.909 35 HD23 LEU 15 2HD2 LEU 15 -9.231 -7.995 5.882 36 HA PRO 16 HA PRO 16 -2.404 -5.259 6.668 37 HB2 PRO 16 2HB PRO 16 -3.087 -3.216 8.467 38 HB3 PRO 16 1HB PRO 16 -2.577 -3.002 6.791 39 HG2 PRO 16 2HG PRO 16 -5.324 -3.040 7.948 40 HG3 PRO 16 1HG PRO 16 -4.677 -2.066 6.615 41 HD2 PRO 16 2HD PRO 16 -6.259 -4.167 6.146 42 HD3 PRO 16 1HD PRO 16 -4.883 -3.804 5.083 43 H ASN 17 H ASN 17 -5.199 -5.770 8.700 44 HA ASN 17 HA ASN 17 -3.614 -6.333 11.057 45 HB2 ASN 17 2HB ASN 17 -6.400 -5.811 10.474 46 HB3 ASN 17 1HB ASN 17 -6.236 -7.245 11.483 47 HD21 ASN 17 1HD2 ASN 17 -4.715 -4.044 11.242 48 HD22 ASN 17 2HD2 ASN 17 -4.813 -3.685 12.929 49 H ASN 18 H ASN 18 -4.748 -8.048 8.333 50 HA ASN 18 HA ASN 18 -4.504 -10.216 7.691 51 HB2 ASN 18 2HB ASN 18 -2.319 -10.004 8.975 52 HB3 ASN 18 1HB ASN 18 -3.147 -10.758 10.333 53 HD21 ASN 18 1HD2 ASN 18 -1.398 -11.272 7.523 54 HD22 ASN 18 2HD2 ASN 18 -1.652 -12.973 7.368 55 H ASP 19 H ASP 19 -6.760 -10.486 7.805 56 HA ASP 19 HA ASP 19 -7.578 -12.466 9.752 57 HB2 ASP 19 2HB ASP 19 -8.803 -9.719 9.621 58 HB3 ASP 19 1HB ASP 19 -9.725 -11.106 10.196 59 H LYS 20 H LYS 20 -7.187 -12.141 6.800 60 HA LYS 20 HA LYS 20 -8.139 -12.915 4.887 61 HB2 LYS 20 2HB LYS 20 -10.367 -13.986 6.617 62 HB3 LYS 20 1HB LYS 20 -9.872 -14.562 5.032 63 HG2 LYS 20 2HG LYS 20 -8.177 -15.792 5.857 64 HG3 LYS 20 1HG LYS 20 -7.794 -14.618 7.118 65 HD2 LYS 20 2HD LYS 20 -9.897 -15.363 8.290 66 HD3 LYS 20 1HD LYS 20 -9.990 -16.679 7.117 67 HE2 LYS 20 2HE LYS 20 -7.671 -16.151 8.971 68 HE3 LYS 20 1HE LYS 20 -8.918 -17.370 9.222 69 HZ1 LYS 20 3HZ LYS 20 -8.116 -18.037 6.797 70 HZ2 LYS 20 1HZ LYS 20 -7.393 -18.656 8.197 71 HZ3 LYS 20 2HZ LYS 20 -6.673 -17.367 7.370 72 H GLY 21 H GLY 21 -9.364 -11.997 3.322 73 HA2 GLY 21 2HA GLY 21 -11.903 -10.784 3.856 74 HA3 GLY 21 1HA GLY 21 -10.630 -9.589 3.669 75 H THR 22 H THR 22 -11.939 -8.867 1.853 76 HA THR 22 HA THR 22 -11.405 -10.453 -0.571 77 HB THR 22 HB THR 22 -13.722 -8.552 -0.356 78 HG1 THR 22 1HG THR 22 -13.821 -11.316 0.262 79 HG21 THR 22 3HG2 THR 22 -14.481 -10.715 -1.855 80 HG22 THR 22 1HG2 THR 22 -12.787 -10.503 -2.295 81 HG23 THR 22 2HG2 THR 22 -13.921 -9.165 -2.482 82 H CYS 23 H CYS 23 -10.771 -9.325 -2.426 83 HA CYS 23 HA CYS 23 -10.013 -6.514 -1.956 84 HB2 CYS 23 2HB CYS 23 -8.342 -8.679 -2.507 85 HB3 CYS 23 1HB CYS 23 -8.475 -7.829 -4.041 86 H LYS 24 H LYS 24 -10.995 -5.101 -3.206 87 HA LYS 24 HA LYS 24 -11.607 -5.761 -5.978 88 HB2 LYS 24 2HB LYS 24 -13.916 -4.810 -5.720 89 HB3 LYS 24 1HB LYS 24 -13.668 -6.360 -4.926 90 HG2 LYS 24 2HG LYS 24 -13.122 -4.819 -2.857 91 HG3 LYS 24 1HG LYS 24 -14.120 -3.671 -3.751 92 HD2 LYS 24 2HD LYS 24 -16.016 -4.921 -3.506 93 HD3 LYS 24 1HD LYS 24 -15.133 -6.447 -3.445 94 HE2 LYS 24 2HE LYS 24 -14.552 -6.148 -1.193 95 HE3 LYS 24 1HE LYS 24 -14.941 -4.429 -1.232 96 HZ1 LYS 24 3HZ LYS 24 -17.224 -4.883 -1.241 97 HZ2 LYS 24 1HZ LYS 24 -16.586 -5.946 -0.089 98 HZ3 LYS 24 2HZ LYS 24 -17.002 -6.515 -1.627 99 H SER 25 H SER 25 -12.447 -3.752 -7.142 100 HA SER 25 HA SER 25 -10.582 -1.688 -6.900 101 HB2 SER 25 2HB SER 25 -12.532 -0.439 -8.265 102 HB3 SER 25 1HB SER 25 -11.487 -1.655 -9.000 103 HG SER 25 HG SER 25 -14.083 -2.049 -7.923 104 H LEU 26 H LEU 26 -11.632 0.726 -6.891 105 HA LEU 26 HA LEU 26 -12.658 1.005 -4.168 106 HB2 LEU 26 2HB LEU 26 -11.955 3.311 -4.304 107 HB3 LEU 26 1HB LEU 26 -10.640 2.259 -4.791 108 HG LEU 26 HG LEU 26 -12.325 3.265 -6.994 109 HD11 LEU 26 1HD1 LEU 26 -10.836 5.409 -6.893 110 HD12 LEU 26 2HD1 LEU 26 -10.822 5.072 -5.162 111 HD13 LEU 26 3HD1 LEU 26 -12.353 5.333 -5.998 112 HD21 LEU 26 3HD2 LEU 26 -10.508 2.125 -7.781 113 HD22 LEU 26 1HD2 LEU 26 -9.470 2.634 -6.448 114 HD23 LEU 26 2HD2 LEU 26 -9.852 3.763 -7.750 115 H LEU 27 H LEU 27 -14.433 0.135 -6.268 116 HA LEU 27 HA LEU 27 -16.476 2.176 -5.942 117 HB2 LEU 27 2HB LEU 27 -17.079 1.847 -8.427 118 HB3 LEU 27 1HB LEU 27 -15.775 2.944 -8.012 119 HG LEU 27 HG LEU 27 -14.309 0.752 -8.401 120 HD11 LEU 27 1HD1 LEU 27 -16.238 0.294 -10.591 121 HD12 LEU 27 2HD1 LEU 27 -16.686 -0.323 -9.000 122 HD13 LEU 27 3HD1 LEU 27 -15.177 -0.839 -9.753 123 HD21 LEU 27 3HD2 LEU 27 -13.624 2.482 -9.690 124 HD22 LEU 27 1HD2 LEU 27 -15.263 2.907 -10.184 125 HD23 LEU 27 2HD2 LEU 27 -14.435 1.552 -10.951 126 H GLN 28 H GLN 28 -15.953 -0.550 -4.967 127 HA GLN 28 HA GLN 28 -18.424 -1.815 -5.949 128 HB2 GLN 28 2HB GLN 28 -15.763 -3.081 -5.332 129 HB3 GLN 28 1HB GLN 28 -17.252 -4.016 -5.335 130 HG2 GLN 28 2HG GLN 28 -16.358 -2.380 -7.688 131 HG3 GLN 28 1HG GLN 28 -15.885 -4.062 -7.453 132 HE21 GLN 28 1HE2 GLN 28 -17.267 -3.282 -9.684 133 HE22 GLN 28 2HE2 GLN 28 -18.865 -3.937 -9.637 134 H CYS 29 H CYS 29 -16.108 -1.649 -3.261 135 HA CYS 29 HA CYS 29 -17.827 -2.848 -1.352 136 HB2 CYS 29 2HB CYS 29 -15.218 -2.373 -1.340 137 HB3 CYS 29 1HB CYS 29 -15.723 -0.906 -0.505 138 H ASP 30 H ASP 30 -19.253 -1.978 0.083 139 HA ASP 30 HA ASP 30 -20.587 0.387 -0.559 140 HB2 ASP 30 2HB ASP 30 -20.580 -1.417 1.829 141 HB3 ASP 30 1HB ASP 30 -21.431 0.122 1.920 142 H VAL 31 H VAL 31 -18.081 -0.247 1.838 143 HA VAL 31 HA VAL 31 -18.114 2.325 3.020 144 HB VAL 31 HB VAL 31 -15.876 1.750 3.901 145 HG11 VAL 31 1HG1 VAL 31 -17.353 0.933 5.400 146 HG12 VAL 31 2HG1 VAL 31 -16.743 -0.619 4.829 147 HG13 VAL 31 3HG1 VAL 31 -18.251 0.025 4.183 148 HG21 VAL 31 3HG2 VAL 31 -16.088 -0.357 1.832 149 HG22 VAL 31 1HG2 VAL 31 -15.336 -0.807 3.362 150 HG23 VAL 31 2HG2 VAL 31 -14.675 0.525 2.414 151 H ALA 32 H ALA 32 -16.330 0.930 0.326 152 HA ALA 32 HA ALA 32 -14.552 3.070 -0.094 153 HB1 ALA 32 3HB ALA 32 -13.901 1.981 -2.006 154 HB2 ALA 32 1HB ALA 32 -15.542 1.468 -2.402 155 HB3 ALA 32 2HB ALA 32 -14.647 0.650 -1.119 156 H SER 33 H SER 33 -17.831 2.458 -1.196 157 HA SER 33 HA SER 33 -17.995 4.529 -3.092 158 HB2 SER 33 2HB SER 33 -20.209 3.298 -1.437 159 HB3 SER 33 1HB SER 33 -20.430 4.256 -2.901 160 HG SER 33 HG SER 33 -19.022 2.583 -3.901 161 H LYS 34 H LYS 34 -18.810 4.429 0.350 162 HA LYS 34 HA LYS 34 -19.854 7.035 0.517 163 HB2 LYS 34 2HB LYS 34 -19.705 6.809 2.889 164 HB3 LYS 34 1HB LYS 34 -20.123 5.231 2.239 165 HG2 LYS 34 2HG LYS 34 -18.274 4.285 3.046 166 HG3 LYS 34 1HG LYS 34 -17.248 5.624 2.534 167 HD2 LYS 34 2HD LYS 34 -17.915 6.912 4.480 168 HD3 LYS 34 1HD LYS 34 -19.019 5.628 4.975 169 HE2 LYS 34 2HE LYS 34 -16.523 4.403 4.616 170 HE3 LYS 34 1HE LYS 34 -16.200 5.909 5.474 171 HZ1 LYS 34 3HZ LYS 34 -16.627 4.144 7.030 172 HZ2 LYS 34 1HZ LYS 34 -18.112 3.792 6.300 173 HZ3 LYS 34 2HZ LYS 34 -17.892 5.263 7.104 174 H ILE 35 H ILE 35 -16.584 5.818 0.606 175 HA ILE 35 HA ILE 35 -15.378 8.202 1.596 176 HB ILE 35 HB ILE 35 -14.165 5.919 0.027 177 HG12 ILE 35 2HG1 ILE 35 -15.158 5.363 2.258 178 HG13 ILE 35 1HG1 ILE 35 -13.426 5.072 2.155 179 HG21 ILE 35 1HG2 ILE 35 -12.100 6.971 1.399 180 HG22 ILE 35 2HG2 ILE 35 -13.028 8.434 1.061 181 HG23 ILE 35 3HG2 ILE 35 -12.490 7.403 -0.265 182 HD11 ILE 35 3HD1 ILE 35 -12.937 6.970 3.463 183 HD12 ILE 35 1HD1 ILE 35 -14.264 6.141 4.275 184 HD13 ILE 35 2HD1 ILE 35 -14.582 7.586 3.317 185 H ILE 36 H ILE 36 -16.165 6.991 -1.608 186 HA ILE 36 HA ILE 36 -14.693 9.010 -3.002 187 HB ILE 36 HB ILE 36 -16.925 7.240 -4.003 188 HG12 ILE 36 2HG1 ILE 36 -14.875 6.081 -3.091 189 HG13 ILE 36 1HG1 ILE 36 -15.234 5.739 -4.780 190 HG21 ILE 36 1HG2 ILE 36 -16.722 9.058 -5.503 191 HG22 ILE 36 2HG2 ILE 36 -15.849 7.714 -6.237 192 HG23 ILE 36 3HG2 ILE 36 -14.961 9.011 -5.436 193 HD11 ILE 36 3HD1 ILE 36 -13.251 7.826 -3.931 194 HD12 ILE 36 1HD1 ILE 36 -13.466 7.108 -5.527 195 HD13 ILE 36 2HD1 ILE 36 -12.817 6.139 -4.203 196 H SER 37 H SER 37 -17.980 8.682 -1.821 197 HA SER 37 HA SER 37 -18.677 11.264 -3.033 198 HB2 SER 37 2HB SER 37 -20.964 10.657 -2.846 199 HB3 SER 37 1HB SER 37 -20.129 9.221 -3.436 200 HG SER 37 HG SER 37 -21.499 8.629 -1.767 201 H LYS 38 H LYS 38 -17.475 10.209 -0.151 202 HA LYS 38 HA LYS 38 -19.084 11.243 1.825 203 HB2 LYS 38 2HB LYS 38 -16.864 11.730 3.043 204 HB3 LYS 38 1HB LYS 38 -17.224 10.077 2.592 205 HG2 LYS 38 2HG LYS 38 -15.427 9.941 1.324 206 HG3 LYS 38 1HG LYS 38 -15.765 11.464 0.515 207 HD2 LYS 38 2HD LYS 38 -13.840 12.065 1.558 208 HD3 LYS 38 1HD LYS 38 -14.950 12.396 2.887 209 HE2 LYS 38 2HE LYS 38 -14.273 10.583 4.089 210 HE3 LYS 38 1HE LYS 38 -13.876 9.643 2.651 211 HZ1 LYS 38 3HZ LYS 38 -12.046 10.710 4.241 212 HZ2 LYS 38 1HZ LYS 38 -12.230 11.988 3.148 213 HZ3 LYS 38 2HZ LYS 38 -11.791 10.453 2.590 214 H LYS 39 H LYS 39 -16.177 13.149 1.241 215 HA LYS 39 HA LYS 39 -17.291 15.415 0.118 216 HB2 LYS 39 2HB LYS 39 -18.002 15.092 2.896 217 HB3 LYS 39 1HB LYS 39 -17.028 16.541 2.685 218 HG2 LYS 39 2HG LYS 39 -18.573 17.470 1.157 219 HG3 LYS 39 1HG LYS 39 -19.439 15.940 0.994 220 HD2 LYS 39 2HD LYS 39 -20.786 17.232 2.412 221 HD3 LYS 39 1HD LYS 39 -19.911 16.150 3.500 222 HE2 LYS 39 2HE LYS 39 -18.487 18.638 2.991 223 HE3 LYS 39 1HE LYS 39 -20.076 18.897 3.712 224 HZ1 LYS 39 3HZ LYS 39 -19.425 17.226 5.425 225 HZ2 LYS 39 1HZ LYS 39 -18.520 18.654 5.464 226 HZ3 LYS 39 2HZ LYS 39 -17.858 17.251 4.792 227 HA PRO 40 HA PRO 40 -13.170 16.821 2.206 228 HB2 PRO 40 2HB PRO 40 -12.048 15.112 4.020 229 HB3 PRO 40 1HB PRO 40 -13.134 16.432 4.466 230 HG2 PRO 40 2HG PRO 40 -13.740 13.521 4.104 231 HG3 PRO 40 1HG PRO 40 -14.284 14.627 5.380 232 HD2 PRO 40 2HD PRO 40 -15.879 13.960 3.324 233 HD3 PRO 40 1HD PRO 40 -15.905 15.586 4.033 234 H ARG 41 H ARG 41 -11.832 16.543 0.531 235 HA ARG 41 HA ARG 41 -10.834 13.827 -0.024 236 HB2 ARG 41 2HB ARG 41 -10.602 14.498 -2.378 237 HB3 ARG 41 1HB ARG 41 -12.270 14.602 -1.832 238 HG2 ARG 41 2HG ARG 41 -11.417 17.121 -1.334 239 HG3 ARG 41 1HG ARG 41 -10.443 16.708 -2.746 240 HD2 ARG 41 2HD ARG 41 -12.869 15.780 -3.512 241 HD3 ARG 41 1HD ARG 41 -13.343 17.147 -2.504 242 HE ARG 41 HE ARG 41 -11.432 18.199 -4.099 243 HH11 ARG 41 1HH1 ARG 41 -14.334 16.370 -4.744 244 HH12 ARG 41 2HH1 ARG 41 -14.608 17.110 -6.285 245 HH21 ARG 41 1HH2 ARG 41 -11.792 19.173 -6.125 246 HH22 ARG 41 2HH2 ARG 41 -13.164 18.702 -7.070 247 H THR 42 H THR 42 -8.912 13.840 1.020 248 HA THR 42 HA THR 42 -6.986 15.918 0.217 249 HB THR 42 HB THR 42 -6.992 14.525 2.896 250 HG1 THR 42 1HG THR 42 -8.051 17.058 2.190 251 HG21 THR 42 3HG2 THR 42 -4.875 15.381 2.681 252 HG22 THR 42 1HG2 THR 42 -5.726 16.721 3.448 253 HG23 THR 42 2HG2 THR 42 -5.411 16.755 1.713 254 H ALA 43 H ALA 43 -4.699 15.213 0.427 255 HA ALA 43 HA ALA 43 -4.176 12.938 -1.082 256 HB1 ALA 43 3HB ALA 43 -2.183 14.127 0.826 257 HB2 ALA 43 1HB ALA 43 -2.674 14.950 -0.653 258 HB3 ALA 43 2HB ALA 43 -1.893 13.371 -0.742 259 H GLN 44 H GLN 44 -4.428 13.334 2.387 260 HA GLN 44 HA GLN 44 -3.186 10.973 3.215 261 HB2 GLN 44 2HB GLN 44 -5.286 12.748 4.385 262 HB3 GLN 44 1HB GLN 44 -4.948 11.205 5.156 263 HG2 GLN 44 2HG GLN 44 -2.631 11.825 5.459 264 HG3 GLN 44 1HG GLN 44 -2.903 13.341 4.603 265 HE21 GLN 44 1HE2 GLN 44 -2.028 14.272 6.581 266 HE22 GLN 44 2HE2 GLN 44 -3.093 14.565 7.909 267 H ASP 45 H ASP 45 -6.341 11.541 1.846 268 HA ASP 45 HA ASP 45 -7.497 9.055 2.595 269 HB2 ASP 45 2HB ASP 45 -8.187 11.160 0.568 270 HB3 ASP 45 1HB ASP 45 -9.067 9.636 0.610 271 H GLU 46 H GLU 46 -5.653 10.153 -0.191 272 HA GLU 46 HA GLU 46 -6.091 7.840 -1.777 273 HB2 GLU 46 2HB GLU 46 -5.215 10.199 -2.456 274 HB3 GLU 46 1HB GLU 46 -3.640 9.547 -2.030 275 HG2 GLU 46 2HG GLU 46 -3.497 8.387 -3.916 276 HG3 GLU 46 1HG GLU 46 -5.135 7.756 -3.748 277 H LYS 47 H LYS 47 -3.595 8.760 0.531 278 HA LYS 47 HA LYS 47 -1.909 6.530 0.025 279 HB2 LYS 47 2HB LYS 47 -0.867 7.105 2.204 280 HB3 LYS 47 1HB LYS 47 -1.012 8.489 1.128 281 HG2 LYS 47 2HG LYS 47 -2.798 9.391 2.366 282 HG3 LYS 47 1HG LYS 47 -3.029 7.896 3.272 283 HD2 LYS 47 2HD LYS 47 -1.918 9.351 4.752 284 HD3 LYS 47 1HD LYS 47 -0.672 8.250 4.160 285 HE2 LYS 47 2HE LYS 47 0.019 9.942 2.518 286 HE3 LYS 47 1HE LYS 47 -1.206 11.042 3.149 287 HZ1 LYS 47 3HZ LYS 47 1.380 10.336 4.239 288 HZ2 LYS 47 1HZ LYS 47 0.128 10.397 5.376 289 HZ3 LYS 47 2HZ LYS 47 0.476 11.753 4.427 290 H PHE 48 H PHE 48 -4.588 7.139 2.205 291 HA PHE 48 HA PHE 48 -4.351 4.832 3.787 292 HB2 PHE 48 2HB PHE 48 -5.904 7.007 3.934 293 HB3 PHE 48 1HB PHE 48 -7.065 5.896 3.215 294 HD1 PHE 48 1HD PHE 48 -7.663 3.802 4.414 295 HD2 PHE 48 2HD PHE 48 -5.298 6.852 6.209 296 HE1 PHE 48 1HE PHE 48 -8.134 2.857 6.637 297 HE2 PHE 48 2HE PHE 48 -5.766 5.912 8.434 298 HZ PHE 48 HZ PHE 48 -7.185 3.911 8.649 299 H LEU 49 H LEU 49 -6.211 5.438 0.826 300 HA LEU 49 HA LEU 49 -7.358 2.834 0.763 301 HB2 LEU 49 2HB LEU 49 -7.921 3.381 -1.602 302 HB3 LEU 49 1HB LEU 49 -8.484 4.557 -0.432 303 HG LEU 49 HG LEU 49 -6.249 5.793 -1.062 304 HD11 LEU 49 1HD1 LEU 49 -6.010 3.622 -2.728 305 HD12 LEU 49 2HD1 LEU 49 -5.162 5.158 -2.905 306 HD13 LEU 49 3HD1 LEU 49 -6.657 4.870 -3.792 307 HD21 LEU 49 3HD2 LEU 49 -7.596 6.744 -3.101 308 HD22 LEU 49 1HD2 LEU 49 -8.161 6.995 -1.448 309 HD23 LEU 49 2HD2 LEU 49 -8.883 5.732 -2.445 310 H ARG 50 H ARG 50 -4.468 4.277 -0.608 311 HA ARG 50 HA ARG 50 -3.741 2.080 -2.245 312 HB2 ARG 50 2HB ARG 50 -2.722 4.654 -1.675 313 HB3 ARG 50 1HB ARG 50 -1.431 3.516 -1.312 314 HG2 ARG 50 2HG ARG 50 -1.437 2.664 -3.517 315 HG3 ARG 50 1HG ARG 50 -2.951 3.483 -3.901 316 HD2 ARG 50 2HD ARG 50 -1.941 5.554 -4.071 317 HD3 ARG 50 1HD ARG 50 -0.579 5.087 -3.054 318 HE ARG 50 HE ARG 50 -0.711 3.665 -5.551 319 HH11 ARG 50 1HH1 ARG 50 0.448 6.540 -3.947 320 HH12 ARG 50 2HH1 ARG 50 1.717 6.818 -5.090 321 HH21 ARG 50 1HH2 ARG 50 0.957 4.030 -7.058 322 HH22 ARG 50 2HH2 ARG 50 2.007 5.393 -6.857 323 H GLU 51 H GLU 51 -3.076 2.960 1.090 324 HA GLU 51 HA GLU 51 -1.129 0.981 1.607 325 HB2 GLU 51 2HB GLU 51 -2.573 2.984 3.099 326 HB3 GLU 51 1HB GLU 51 -2.494 1.484 4.015 327 HG2 GLU 51 2HG GLU 51 0.002 1.504 3.504 328 HG3 GLU 51 1HG GLU 51 -0.237 3.177 3.003 329 H SER 52 H SER 52 -4.614 0.928 1.563 330 HA SER 52 HA SER 52 -4.667 -1.752 2.737 331 HB2 SER 52 2HB SER 52 -6.981 0.020 1.914 332 HB3 SER 52 1HB SER 52 -7.084 -1.475 2.845 333 HG SER 52 HG SER 52 -5.648 0.826 3.676 334 H ALA 53 H ALA 53 -3.574 -1.196 0.049 335 HA ALA 53 HA ALA 53 -5.512 -2.634 -1.628 336 HB1 ALA 53 3HB ALA 53 -3.121 -0.959 -2.372 337 HB2 ALA 53 1HB ALA 53 -4.823 -0.569 -2.621 338 HB3 ALA 53 2HB ALA 53 -4.079 -1.886 -3.526 339 H CYS 54 H CYS 54 -5.022 -4.572 -2.554 340 HA CYS 54 HA CYS 54 -2.736 -5.981 -1.440 341 HB2 CYS 54 2HB CYS 54 -3.802 -7.983 -2.529 342 HB3 CYS 54 1HB CYS 54 -4.804 -7.174 -1.331 343 H GLY 55 H GLY 55 -1.748 -4.127 -3.091 344 HA2 GLY 55 2HA GLY 55 -0.507 -3.747 -4.994 345 HA3 GLY 55 1HA GLY 55 -0.052 -5.432 -4.793 346 H PHE 56 H PHE 56 0.102 -5.765 -7.021 347 HA PHE 56 HA PHE 56 -0.629 -6.423 -9.069 348 HB2 PHE 56 2HB PHE 56 -2.709 -7.187 -7.225 349 HB3 PHE 56 1HB PHE 56 -3.416 -6.737 -8.772 350 HD1 PHE 56 2HD PHE 56 -1.537 -7.644 -10.733 351 HD2 PHE 56 1HD PHE 56 -2.668 -9.476 -7.063 352 HE1 PHE 56 2HE PHE 56 -0.931 -9.845 -11.650 353 HE2 PHE 56 1HE PHE 56 -2.065 -11.681 -7.973 354 HZ PHE 56 HZ PHE 56 -1.194 -11.868 -10.270 355 H ASP 57 H ASP 57 -1.554 -5.598 -10.962 356 HA ASP 57 HA ASP 57 -2.316 -3.978 -12.363 357 HB2 ASP 57 2HB ASP 57 -4.175 -3.809 -10.048 358 HB3 ASP 57 1HB ASP 57 -4.193 -2.470 -11.191 359 H GLY 58 H GLY 58 -0.989 -2.384 -12.903 360 HA2 GLY 58 2HA GLY 58 0.098 -0.633 -10.845 361 HA3 GLY 58 1HA GLY 58 0.630 -0.731 -12.516 362 H GLN 59 H GLN 59 -2.221 -0.511 -13.431 363 HA GLN 59 HA GLN 59 -2.426 2.406 -13.128 364 HB2 GLN 59 2HB GLN 59 -2.266 0.937 -15.419 365 HB3 GLN 59 1HB GLN 59 -4.007 1.099 -15.243 366 HG2 GLN 59 2HG GLN 59 -3.527 3.604 -14.916 367 HG3 GLN 59 1HG GLN 59 -1.947 3.236 -15.606 368 HE21 GLN 59 1HE2 GLN 59 -1.802 3.519 -17.702 369 HE22 GLN 59 2HE2 GLN 59 -3.093 3.407 -18.843 370 H THR 60 H THR 60 -4.290 -0.590 -13.064 371 HA THR 60 HA THR 60 -6.750 0.750 -12.397 372 HB THR 60 HB THR 60 -6.383 -2.175 -11.948 373 HG1 THR 60 1HG THR 60 -6.526 -0.993 -14.522 374 HG21 THR 60 3HG2 THR 60 -8.583 -2.230 -12.115 375 HG22 THR 60 1HG2 THR 60 -8.534 -1.424 -13.683 376 HG23 THR 60 2HG2 THR 60 -8.577 -0.468 -12.201 377 HA PRO 61 HA PRO 61 -5.497 0.930 -8.059 378 HB2 PRO 61 2HB PRO 61 -7.638 2.374 -7.217 379 HB3 PRO 61 1HB PRO 61 -6.244 3.101 -8.024 380 HG2 PRO 61 2HG PRO 61 -8.906 2.336 -9.161 381 HG3 PRO 61 1HG PRO 61 -7.951 3.804 -9.439 382 HD2 PRO 61 2HD PRO 61 -7.998 1.754 -11.200 383 HD3 PRO 61 1HD PRO 61 -6.557 2.762 -10.954 384 H LYS 62 H LYS 62 -5.946 -0.413 -6.410 385 HA LYS 62 HA LYS 62 -8.586 -1.706 -6.332 386 HB2 LYS 62 2HB LYS 62 -5.994 -3.150 -5.777 387 HB3 LYS 62 1HB LYS 62 -7.604 -3.849 -5.888 388 HG2 LYS 62 2HG LYS 62 -6.640 -2.410 -8.276 389 HG3 LYS 62 1HG LYS 62 -5.818 -3.920 -7.879 390 HD2 LYS 62 2HD LYS 62 -8.751 -4.022 -7.728 391 HD3 LYS 62 1HD LYS 62 -8.097 -3.748 -9.343 392 HE2 LYS 62 2HE LYS 62 -8.030 -6.013 -9.359 393 HE3 LYS 62 1HE LYS 62 -6.482 -5.728 -8.565 394 HZ1 LYS 62 3HZ LYS 62 -9.059 -6.422 -7.272 395 HZ2 LYS 62 1HZ LYS 62 -7.687 -5.934 -6.413 396 HZ3 LYS 62 2HZ LYS 62 -7.651 -7.358 -7.323 397 H VAL 63 H VAL 63 -9.099 -2.668 -4.215 398 HA VAL 63 HA VAL 63 -7.565 -1.635 -1.958 399 HB VAL 63 HB VAL 63 -10.524 -1.077 -2.180 400 HG11 VAL 63 1HG1 VAL 63 -9.870 -1.277 0.094 401 HG12 VAL 63 2HG1 VAL 63 -9.995 0.448 -0.249 402 HG13 VAL 63 3HG1 VAL 63 -8.411 -0.323 -0.172 403 HG21 VAL 63 3HG2 VAL 63 -8.193 0.793 -2.597 404 HG22 VAL 63 1HG2 VAL 63 -9.884 1.283 -2.478 405 HG23 VAL 63 2HG2 VAL 63 -9.352 0.268 -3.820 406 H CYS 64 H CYS 64 -8.125 -2.609 0.069 407 HA CYS 64 HA CYS 64 -9.290 -5.278 -0.274 408 HB2 CYS 64 2HB CYS 64 -6.922 -4.838 0.692 409 HB3 CYS 64 1HB CYS 64 -7.775 -4.366 2.157 410 H CYS 65 H CYS 65 -11.121 -5.877 0.718 411 HA CYS 65 HA CYS 65 -12.206 -4.144 2.830 412 HB2 CYS 65 2HB CYS 65 -13.299 -4.609 0.200 413 HB3 CYS 65 1HB CYS 65 -14.412 -5.193 1.432 414 HA PRO 66 HA PRO 66 -12.354 -8.235 4.711 415 HB2 PRO 66 2HB PRO 66 -13.188 -7.387 7.164 416 HB3 PRO 66 1HB PRO 66 -11.505 -7.324 6.630 417 HG2 PRO 66 2HG PRO 66 -13.544 -5.146 6.740 418 HG3 PRO 66 1HG PRO 66 -11.815 -5.087 7.118 419 HD2 PRO 66 2HD PRO 66 -12.868 -4.175 4.775 420 HD3 PRO 66 1HD PRO 66 -11.217 -4.813 4.922 Start of MODEL 9 1 H GLN 11 H GLN 11 -12.537 -11.070 -4.652 2 HA GLN 11 HA GLN 11 -10.618 -12.630 -4.939 3 HB2 GLN 11 2HB GLN 11 -9.608 -10.791 -6.534 4 HB3 GLN 11 1HB GLN 11 -8.990 -10.119 -5.033 5 HG2 GLN 11 2HG GLN 11 -8.263 -12.707 -4.757 6 HG3 GLN 11 1HG GLN 11 -8.177 -12.523 -6.508 7 HE21 GLN 11 1HE2 GLN 11 -6.290 -12.561 -3.975 8 HE22 GLN 11 2HE2 GLN 11 -5.116 -11.364 -4.390 9 H ALA 12 H ALA 12 -9.595 -13.107 -3.001 10 HA ALA 12 HA ALA 12 -10.420 -11.449 -0.746 11 HB1 ALA 12 3HB ALA 12 -10.122 -13.332 0.619 12 HB2 ALA 12 1HB ALA 12 -9.067 -14.121 -0.552 13 HB3 ALA 12 2HB ALA 12 -10.793 -13.972 -0.882 14 H CYS 13 H CYS 13 -9.069 -10.064 0.181 15 HA CYS 13 HA CYS 13 -6.175 -10.548 -0.079 16 HB2 CYS 13 2HB CYS 13 -6.106 -8.580 -1.148 17 HB3 CYS 13 1HB CYS 13 -7.781 -8.237 -0.756 18 H THR 14 H THR 14 -4.847 -9.652 1.672 19 HA THR 14 HA THR 14 -6.247 -9.884 4.248 20 HB THR 14 HB THR 14 -4.499 -11.570 3.815 21 HG1 THR 14 1HG THR 14 -3.346 -11.201 5.759 22 HG21 THR 14 3HG2 THR 14 -2.210 -11.065 3.631 23 HG22 THR 14 1HG2 THR 14 -2.484 -9.353 3.947 24 HG23 THR 14 2HG2 THR 14 -3.030 -10.068 2.431 25 H LEU 15 H LEU 15 -6.609 -8.036 5.251 26 HA LEU 15 HA LEU 15 -5.511 -5.559 4.545 27 HB2 LEU 15 2HB LEU 15 -6.381 -4.879 6.871 28 HB3 LEU 15 1HB LEU 15 -7.537 -5.436 5.677 29 HG LEU 15 HG LEU 15 -6.476 -7.552 7.424 30 HD11 LEU 15 1HD1 LEU 15 -8.520 -5.838 8.715 31 HD12 LEU 15 2HD1 LEU 15 -6.840 -5.307 8.792 32 HD13 LEU 15 3HD1 LEU 15 -7.297 -6.885 9.433 33 HD21 LEU 15 3HD2 LEU 15 -8.392 -8.526 6.843 34 HD22 LEU 15 1HD2 LEU 15 -8.634 -7.180 5.729 35 HD23 LEU 15 2HD2 LEU 15 -9.343 -7.128 7.344 36 HA PRO 16 HA PRO 16 -1.596 -5.051 6.490 37 HB2 PRO 16 2HB PRO 16 -2.110 -2.915 8.237 38 HB3 PRO 16 1HB PRO 16 -1.568 -2.784 6.563 39 HG2 PRO 16 2HG PRO 16 -4.316 -2.553 7.692 40 HG3 PRO 16 1HG PRO 16 -3.576 -1.672 6.342 41 HD2 PRO 16 2HD PRO 16 -5.335 -3.633 5.904 42 HD3 PRO 16 1HD PRO 16 -3.922 -3.421 4.849 43 H ASN 17 H ASN 17 -4.440 -5.265 8.506 44 HA ASN 17 HA ASN 17 -2.944 -5.892 10.900 45 HB2 ASN 17 2HB ASN 17 -5.395 -4.805 10.519 46 HB3 ASN 17 1HB ASN 17 -5.840 -6.485 10.807 47 HD21 ASN 17 1HD2 ASN 17 -6.540 -6.599 12.816 48 HD22 ASN 17 2HD2 ASN 17 -5.735 -5.962 14.207 49 H ASN 18 H ASN 18 -4.100 -7.594 8.190 50 HA ASN 18 HA ASN 18 -4.073 -9.789 7.615 51 HB2 ASN 18 2HB ASN 18 -2.236 -9.686 9.934 52 HB3 ASN 18 1HB ASN 18 -2.865 -11.278 9.521 53 HD21 ASN 18 1HD2 ASN 18 -2.085 -12.319 7.779 54 HD22 ASN 18 2HD2 ASN 18 -0.871 -11.685 6.727 55 H ASP 19 H ASP 19 -6.341 -9.897 7.817 56 HA ASP 19 HA ASP 19 -7.206 -11.784 9.837 57 HB2 ASP 19 2HB ASP 19 -8.238 -8.966 9.686 58 HB3 ASP 19 1HB ASP 19 -9.267 -10.267 10.275 59 H LYS 20 H LYS 20 -6.902 -11.522 6.855 60 HA LYS 20 HA LYS 20 -7.963 -12.271 4.989 61 HB2 LYS 20 2HB LYS 20 -10.156 -13.251 6.815 62 HB3 LYS 20 1HB LYS 20 -9.728 -13.865 5.224 63 HG2 LYS 20 2HG LYS 20 -7.995 -15.092 6.009 64 HG3 LYS 20 1HG LYS 20 -7.625 -13.950 7.303 65 HD2 LYS 20 2HD LYS 20 -10.220 -15.322 7.529 66 HD3 LYS 20 1HD LYS 20 -8.801 -16.358 7.686 67 HE2 LYS 20 2HE LYS 20 -7.925 -14.705 9.372 68 HE3 LYS 20 1HE LYS 20 -9.510 -13.936 9.326 69 HZ1 LYS 20 3HZ LYS 20 -9.058 -15.682 11.120 70 HZ2 LYS 20 1HZ LYS 20 -9.248 -16.822 9.883 71 HZ3 LYS 20 2HZ LYS 20 -10.519 -15.778 10.275 72 H GLY 21 H GLY 21 -9.181 -11.279 3.474 73 HA2 GLY 21 2HA GLY 21 -11.660 -9.974 4.133 74 HA3 GLY 21 1HA GLY 21 -10.351 -8.849 3.806 75 H THR 22 H THR 22 -12.059 -8.297 2.124 76 HA THR 22 HA THR 22 -11.511 -9.843 -0.326 77 HB THR 22 HB THR 22 -14.036 -8.267 0.051 78 HG1 THR 22 1HG THR 22 -14.839 -9.711 1.330 79 HG21 THR 22 3HG2 THR 22 -13.008 -9.864 -2.019 80 HG22 THR 22 1HG2 THR 22 -14.597 -9.108 -1.909 81 HG23 THR 22 2HG2 THR 22 -14.357 -10.749 -1.309 82 H CYS 23 H CYS 23 -10.681 -8.672 -1.986 83 HA CYS 23 HA CYS 23 -10.793 -5.743 -1.716 84 HB2 CYS 23 2HB CYS 23 -8.618 -5.597 -2.764 85 HB3 CYS 23 1HB CYS 23 -8.529 -6.634 -1.349 86 H LYS 24 H LYS 24 -11.647 -4.627 -3.298 87 HA LYS 24 HA LYS 24 -11.690 -5.665 -6.018 88 HB2 LYS 24 2HB LYS 24 -14.211 -4.731 -5.959 89 HB3 LYS 24 1HB LYS 24 -13.809 -6.419 -5.677 90 HG2 LYS 24 2HG LYS 24 -15.377 -5.695 -4.019 91 HG3 LYS 24 1HG LYS 24 -13.817 -5.978 -3.245 92 HD2 LYS 24 2HD LYS 24 -13.896 -3.266 -4.092 93 HD3 LYS 24 1HD LYS 24 -15.403 -3.614 -3.248 94 HE2 LYS 24 2HE LYS 24 -14.359 -3.529 -1.290 95 HE3 LYS 24 1HE LYS 24 -13.239 -4.789 -1.802 96 HZ1 LYS 24 3HZ LYS 24 -12.258 -2.648 -3.074 97 HZ2 LYS 24 1HZ LYS 24 -11.726 -3.174 -1.557 98 HZ3 LYS 24 2HZ LYS 24 -12.860 -1.925 -1.670 99 H SER 25 H SER 25 -12.627 -3.920 -7.529 100 HA SER 25 HA SER 25 -11.116 -1.616 -7.352 101 HB2 SER 25 2HB SER 25 -12.445 -2.577 -9.358 102 HB3 SER 25 1HB SER 25 -13.789 -1.617 -8.739 103 HG SER 25 HG SER 25 -11.222 -0.617 -9.429 104 H LEU 26 H LEU 26 -12.194 0.676 -7.403 105 HA LEU 26 HA LEU 26 -13.461 0.998 -4.813 106 HB2 LEU 26 2HB LEU 26 -13.091 3.401 -5.179 107 HB3 LEU 26 1HB LEU 26 -11.620 2.461 -5.347 108 HG LEU 26 HG LEU 26 -12.731 2.659 -7.936 109 HD11 LEU 26 1HD1 LEU 26 -13.249 4.863 -8.319 110 HD12 LEU 26 2HD1 LEU 26 -12.390 5.428 -6.885 111 HD13 LEU 26 3HD1 LEU 26 -13.951 4.625 -6.719 112 HD21 LEU 26 3HD2 LEU 26 -10.658 3.564 -8.488 113 HD22 LEU 26 1HD2 LEU 26 -10.314 2.595 -7.056 114 HD23 LEU 26 2HD2 LEU 26 -10.473 4.346 -6.917 115 H LEU 27 H LEU 27 -15.147 -0.259 -6.662 116 HA LEU 27 HA LEU 27 -17.329 1.670 -6.729 117 HB2 LEU 27 2HB LEU 27 -16.365 0.158 -9.155 118 HB3 LEU 27 1HB LEU 27 -17.929 0.941 -9.057 119 HG LEU 27 HG LEU 27 -15.514 2.595 -8.517 120 HD11 LEU 27 1HD1 LEU 27 -16.147 1.291 -11.094 121 HD12 LEU 27 2HD1 LEU 27 -14.601 1.836 -10.444 122 HD13 LEU 27 3HD1 LEU 27 -15.725 3.002 -11.142 123 HD21 LEU 27 3HD2 LEU 27 -17.335 3.934 -8.332 124 HD22 LEU 27 1HD2 LEU 27 -18.309 2.947 -9.423 125 HD23 LEU 27 2HD2 LEU 27 -17.107 4.061 -10.077 126 H GLN 28 H GLN 28 -16.673 -0.729 -5.169 127 HA GLN 28 HA GLN 28 -19.083 -2.281 -5.814 128 HB2 GLN 28 2HB GLN 28 -16.319 -3.304 -5.258 129 HB3 GLN 28 1HB GLN 28 -17.725 -4.285 -4.866 130 HG2 GLN 28 2HG GLN 28 -18.417 -3.821 -7.319 131 HG3 GLN 28 1HG GLN 28 -16.715 -3.407 -7.533 132 HE21 GLN 28 1HE2 GLN 28 -18.296 -5.614 -8.642 133 HE22 GLN 28 2HE2 GLN 28 -17.475 -7.061 -8.175 134 H CYS 29 H CYS 29 -16.583 -1.877 -3.296 135 HA CYS 29 HA CYS 29 -18.107 -2.769 -1.148 136 HB2 CYS 29 2HB CYS 29 -15.551 -1.919 -1.433 137 HB3 CYS 29 1HB CYS 29 -16.244 -0.547 -0.573 138 H ASP 30 H ASP 30 -19.653 -1.911 0.106 139 HA ASP 30 HA ASP 30 -21.091 0.372 -0.741 140 HB2 ASP 30 2HB ASP 30 -22.452 -0.009 1.222 141 HB3 ASP 30 1HB ASP 30 -22.043 -1.557 0.504 142 H VAL 31 H VAL 31 -18.936 -0.247 1.932 143 HA VAL 31 HA VAL 31 -19.092 2.232 3.219 144 HB VAL 31 HB VAL 31 -18.032 0.253 4.236 145 HG11 VAL 31 1HG1 VAL 31 -15.511 0.771 2.735 146 HG12 VAL 31 2HG1 VAL 31 -16.772 -0.202 1.976 147 HG13 VAL 31 3HG1 VAL 31 -16.079 -0.705 3.517 148 HG21 VAL 31 3HG2 VAL 31 -17.347 1.951 5.539 149 HG22 VAL 31 1HG2 VAL 31 -16.814 2.925 4.169 150 HG23 VAL 31 2HG2 VAL 31 -15.773 1.650 4.803 151 H ALA 32 H ALA 32 -17.067 1.149 0.552 152 HA ALA 32 HA ALA 32 -15.399 3.423 0.431 153 HB1 ALA 32 3HB ALA 32 -14.672 2.614 -1.672 154 HB2 ALA 32 1HB ALA 32 -16.165 1.708 -1.920 155 HB3 ALA 32 2HB ALA 32 -15.013 1.190 -0.690 156 H SER 33 H SER 33 -18.530 2.667 -0.972 157 HA SER 33 HA SER 33 -18.700 4.853 -2.737 158 HB2 SER 33 2HB SER 33 -20.901 3.302 -1.357 159 HB3 SER 33 1HB SER 33 -21.145 4.421 -2.698 160 HG SER 33 HG SER 33 -20.782 1.966 -3.022 161 H LYS 34 H LYS 34 -19.777 4.457 0.614 162 HA LYS 34 HA LYS 34 -21.023 6.951 0.867 163 HB2 LYS 34 2HB LYS 34 -20.951 6.622 3.237 164 HB3 LYS 34 1HB LYS 34 -21.235 5.060 2.488 165 HG2 LYS 34 2HG LYS 34 -19.329 4.193 3.272 166 HG3 LYS 34 1HG LYS 34 -18.412 5.670 2.981 167 HD2 LYS 34 2HD LYS 34 -18.694 6.394 5.083 168 HD3 LYS 34 1HD LYS 34 -20.395 5.930 5.109 169 HE2 LYS 34 2HE LYS 34 -19.948 3.820 5.896 170 HE3 LYS 34 1HE LYS 34 -18.327 3.791 5.204 171 HZ1 LYS 34 3HZ LYS 34 -19.194 5.316 7.601 172 HZ2 LYS 34 1HZ LYS 34 -17.652 5.407 6.908 173 HZ3 LYS 34 2HZ LYS 34 -18.192 3.954 7.582 174 H ILE 35 H ILE 35 -17.665 5.992 1.165 175 HA ILE 35 HA ILE 35 -16.702 8.427 2.270 176 HB ILE 35 HB ILE 35 -15.179 6.428 0.589 177 HG12 ILE 35 2HG1 ILE 35 -15.121 6.509 3.585 178 HG13 ILE 35 1HG1 ILE 35 -16.437 5.671 2.767 179 HG21 ILE 35 1HG2 ILE 35 -14.177 8.408 2.629 180 HG22 ILE 35 2HG2 ILE 35 -14.090 8.628 0.882 181 HG23 ILE 35 3HG2 ILE 35 -13.202 7.313 1.652 182 HD11 ILE 35 3HD1 ILE 35 -14.035 4.818 1.561 183 HD12 ILE 35 1HD1 ILE 35 -15.144 3.892 2.575 184 HD13 ILE 35 2HD1 ILE 35 -13.798 4.764 3.309 185 H ILE 36 H ILE 36 -17.247 7.277 -1.003 186 HA ILE 36 HA ILE 36 -15.916 9.442 -2.294 187 HB ILE 36 HB ILE 36 -18.021 7.556 -3.361 188 HG12 ILE 36 2HG1 ILE 36 -15.905 6.491 -2.603 189 HG13 ILE 36 1HG1 ILE 36 -16.170 6.332 -4.335 190 HG21 ILE 36 1HG2 ILE 36 -16.656 8.350 -5.541 191 HG22 ILE 36 2HG2 ILE 36 -16.584 9.826 -4.578 192 HG23 ILE 36 3HG2 ILE 36 -18.145 9.115 -4.988 193 HD11 ILE 36 3HD1 ILE 36 -14.013 6.956 -4.419 194 HD12 ILE 36 1HD1 ILE 36 -14.075 7.775 -2.859 195 HD13 ILE 36 2HD1 ILE 36 -14.700 8.575 -4.300 196 H SER 37 H SER 37 -19.069 8.981 -0.938 197 HA SER 37 HA SER 37 -20.188 11.291 -2.293 198 HB2 SER 37 2HB SER 37 -22.259 10.676 -1.376 199 HB3 SER 37 1HB SER 37 -21.461 9.132 -1.666 200 HG SER 37 HG SER 37 -22.468 9.414 0.455 201 H LYS 38 H LYS 38 -18.981 10.405 0.886 202 HA LYS 38 HA LYS 38 -19.851 12.759 2.209 203 HB2 LYS 38 2HB LYS 38 -17.952 12.090 3.857 204 HB3 LYS 38 1HB LYS 38 -19.370 11.072 3.718 205 HG2 LYS 38 2HG LYS 38 -18.085 9.362 3.254 206 HG3 LYS 38 1HG LYS 38 -17.451 10.203 1.839 207 HD2 LYS 38 2HD LYS 38 -15.507 9.876 3.004 208 HD3 LYS 38 1HD LYS 38 -15.992 11.443 3.650 209 HE2 LYS 38 2HE LYS 38 -16.647 8.795 4.934 210 HE3 LYS 38 1HE LYS 38 -15.272 9.803 5.382 211 HZ1 LYS 38 3HZ LYS 38 -16.800 10.523 6.881 212 HZ2 LYS 38 1HZ LYS 38 -18.124 10.227 5.872 213 HZ3 LYS 38 2HZ LYS 38 -17.158 11.594 5.622 214 H LYS 39 H LYS 39 -16.531 11.831 1.311 215 HA LYS 39 HA LYS 39 -15.896 14.249 0.053 216 HB2 LYS 39 2HB LYS 39 -15.764 14.299 2.962 217 HB3 LYS 39 1HB LYS 39 -14.221 14.700 2.222 218 HG2 LYS 39 2HG LYS 39 -16.466 16.058 0.965 219 HG3 LYS 39 1HG LYS 39 -16.297 16.434 2.680 220 HD2 LYS 39 2HD LYS 39 -13.727 16.627 1.914 221 HD3 LYS 39 1HD LYS 39 -14.526 17.085 0.407 222 HE2 LYS 39 2HE LYS 39 -14.644 19.139 1.277 223 HE3 LYS 39 1HE LYS 39 -15.929 18.500 2.301 224 HZ1 LYS 39 3HZ LYS 39 -13.815 19.694 3.293 225 HZ2 LYS 39 1HZ LYS 39 -13.176 18.130 3.205 226 HZ3 LYS 39 2HZ LYS 39 -14.579 18.422 4.105 227 HA PRO 40 HA PRO 40 -12.748 10.908 -0.360 228 HB2 PRO 40 2HB PRO 40 -12.894 10.595 -3.013 229 HB3 PRO 40 1HB PRO 40 -14.083 9.860 -1.934 230 HG2 PRO 40 2HG PRO 40 -14.305 12.336 -3.594 231 HG3 PRO 40 1HG PRO 40 -15.510 11.070 -3.311 232 HD2 PRO 40 2HD PRO 40 -15.446 13.495 -1.994 233 HD3 PRO 40 1HD PRO 40 -16.225 12.030 -1.366 234 H ARG 41 H ARG 41 -11.020 10.894 -2.383 235 HA ARG 41 HA ARG 41 -9.103 11.872 -3.122 236 HB2 ARG 41 2HB ARG 41 -11.111 13.099 -4.373 237 HB3 ARG 41 1HB ARG 41 -10.478 14.486 -3.495 238 HG2 ARG 41 2HG ARG 41 -8.414 14.383 -4.588 239 HG3 ARG 41 1HG ARG 41 -8.699 12.736 -5.157 240 HD2 ARG 41 2HD ARG 41 -10.722 13.818 -6.398 241 HD3 ARG 41 1HD ARG 41 -9.820 15.316 -6.166 242 HE ARG 41 HE ARG 41 -7.999 13.591 -7.233 243 HH11 ARG 41 1HH1 ARG 41 -11.156 14.724 -8.197 244 HH12 ARG 41 2HH1 ARG 41 -10.829 14.581 -9.891 245 HH21 ARG 41 1HH2 ARG 41 -7.566 13.401 -9.462 246 HH22 ARG 41 2HH2 ARG 41 -8.790 13.830 -10.609 247 H THR 42 H THR 42 -7.884 11.914 -1.257 248 HA THR 42 HA THR 42 -7.229 14.511 -0.248 249 HB THR 42 HB THR 42 -8.144 12.597 1.872 250 HG1 THR 42 1HG THR 42 -9.774 14.486 0.526 251 HG21 THR 42 3HG2 THR 42 -7.359 14.249 3.131 252 HG22 THR 42 1HG2 THR 42 -8.787 15.153 2.628 253 HG23 THR 42 2HG2 THR 42 -7.263 15.361 1.766 254 H ALA 43 H ALA 43 -5.320 14.502 1.063 255 HA ALA 43 HA ALA 43 -3.379 12.666 0.268 256 HB1 ALA 43 3HB ALA 43 -3.048 14.116 2.849 257 HB2 ALA 43 1HB ALA 43 -3.200 15.049 1.360 258 HB3 ALA 43 2HB ALA 43 -1.897 13.873 1.536 259 H GLN 44 H GLN 44 -5.491 12.691 3.067 260 HA GLN 44 HA GLN 44 -4.159 10.557 4.429 261 HB2 GLN 44 2HB GLN 44 -5.827 12.396 5.321 262 HB3 GLN 44 1HB GLN 44 -7.043 11.198 4.901 263 HG2 GLN 44 2HG GLN 44 -4.920 9.958 6.374 264 HG3 GLN 44 1HG GLN 44 -5.525 11.364 7.248 265 HE21 GLN 44 1HE2 GLN 44 -6.732 8.563 5.434 266 HE22 GLN 44 2HE2 GLN 44 -8.049 8.223 6.498 267 H ASP 45 H ASP 45 -6.801 10.811 2.144 268 HA ASP 45 HA ASP 45 -7.704 8.127 2.399 269 HB2 ASP 45 2HB ASP 45 -8.229 10.413 0.601 270 HB3 ASP 45 1HB ASP 45 -8.487 8.821 -0.108 271 H GLU 46 H GLU 46 -5.317 9.746 0.399 272 HA GLU 46 HA GLU 46 -4.854 7.618 -1.399 273 HB2 GLU 46 2HB GLU 46 -3.255 10.023 -0.580 274 HB3 GLU 46 1HB GLU 46 -2.590 8.829 -1.686 275 HG2 GLU 46 2HG GLU 46 -4.345 9.235 -3.269 276 HG3 GLU 46 1HG GLU 46 -5.176 10.299 -2.136 277 H LYS 47 H LYS 47 -3.343 8.526 1.662 278 HA LYS 47 HA LYS 47 -1.336 6.521 1.579 279 HB2 LYS 47 2HB LYS 47 -1.126 6.974 4.031 280 HB3 LYS 47 1HB LYS 47 -1.004 8.406 3.019 281 HG2 LYS 47 2HG LYS 47 -3.203 9.097 3.594 282 HG3 LYS 47 1HG LYS 47 -3.542 7.560 4.392 283 HD2 LYS 47 2HD LYS 47 -3.076 9.305 6.030 284 HD3 LYS 47 1HD LYS 47 -1.830 8.056 6.071 285 HE2 LYS 47 2HE LYS 47 -0.740 10.174 6.200 286 HE3 LYS 47 1HE LYS 47 -0.434 9.511 4.596 287 HZ1 LYS 47 3HZ LYS 47 -2.383 11.630 5.312 288 HZ2 LYS 47 1HZ LYS 47 -2.299 10.905 3.785 289 HZ3 LYS 47 2HZ LYS 47 -0.990 11.800 4.370 290 H PHE 48 H PHE 48 -4.601 6.646 2.863 291 HA PHE 48 HA PHE 48 -4.509 4.177 4.244 292 HB2 PHE 48 2HB PHE 48 -6.213 6.121 4.449 293 HB3 PHE 48 1HB PHE 48 -7.035 5.337 3.104 294 HD1 PHE 48 2HD PHE 48 -7.395 2.726 3.451 295 HD2 PHE 48 1HD PHE 48 -6.866 5.570 6.572 296 HE1 PHE 48 2HE PHE 48 -8.513 1.201 5.025 297 HE2 PHE 48 1HE PHE 48 -7.983 4.050 8.152 298 HZ PHE 48 HZ PHE 48 -8.809 1.862 7.378 299 H LEU 49 H LEU 49 -5.434 5.075 0.962 300 HA LEU 49 HA LEU 49 -6.436 2.505 0.263 301 HB2 LEU 49 2HB LEU 49 -6.863 3.378 -1.800 302 HB3 LEU 49 1HB LEU 49 -6.747 4.861 -0.875 303 HG LEU 49 HG LEU 49 -4.224 4.773 -1.635 304 HD11 LEU 49 1HD1 LEU 49 -5.283 3.618 -4.128 305 HD12 LEU 49 2HD1 LEU 49 -4.994 2.481 -2.812 306 HD13 LEU 49 3HD1 LEU 49 -3.679 3.495 -3.406 307 HD21 LEU 49 3HD2 LEU 49 -6.111 5.512 -3.813 308 HD22 LEU 49 1HD2 LEU 49 -4.737 6.402 -3.155 309 HD23 LEU 49 2HD2 LEU 49 -6.254 6.334 -2.258 310 H ARG 50 H ARG 50 -3.292 4.038 0.120 311 HA ARG 50 HA ARG 50 -2.021 2.102 -1.508 312 HB2 ARG 50 2HB ARG 50 -1.282 4.481 -0.073 313 HB3 ARG 50 1HB ARG 50 -0.101 3.216 0.242 314 HG2 ARG 50 2HG ARG 50 0.403 2.984 -2.057 315 HG3 ARG 50 1HG ARG 50 -0.979 3.973 -2.529 316 HD2 ARG 50 2HD ARG 50 0.131 5.852 -1.210 317 HD3 ARG 50 1HD ARG 50 1.573 4.838 -1.199 318 HE ARG 50 HE ARG 50 0.915 4.927 -3.816 319 HH11 ARG 50 1HH1 ARG 50 1.378 7.402 -1.398 320 HH12 ARG 50 2HH1 ARG 50 1.929 8.585 -2.535 321 HH21 ARG 50 1HH2 ARG 50 1.639 6.483 -5.314 322 HH22 ARG 50 2HH2 ARG 50 2.077 8.064 -4.758 323 H GLU 51 H GLU 51 -2.525 2.397 1.957 324 HA GLU 51 HA GLU 51 -0.839 0.206 2.665 325 HB2 GLU 51 2HB GLU 51 -2.887 1.856 4.099 326 HB3 GLU 51 1HB GLU 51 -2.293 0.375 4.838 327 HG2 GLU 51 2HG GLU 51 0.024 1.270 4.573 328 HG3 GLU 51 1HG GLU 51 -0.692 2.796 4.053 329 H SER 52 H SER 52 -4.198 0.564 1.784 330 HA SER 52 HA SER 52 -4.552 -2.342 2.120 331 HB2 SER 52 2HB SER 52 -6.835 -0.374 2.107 332 HB3 SER 52 1HB SER 52 -6.812 -2.033 2.712 333 HG SER 52 HG SER 52 -6.661 -0.156 4.265 334 H ALA 53 H ALA 53 -3.385 -1.476 -0.175 335 HA ALA 53 HA ALA 53 -5.522 -1.368 -2.183 336 HB1 ALA 53 3HB ALA 53 -2.699 -0.470 -2.117 337 HB2 ALA 53 1HB ALA 53 -4.122 0.310 -2.807 338 HB3 ALA 53 2HB ALA 53 -3.340 -1.017 -3.667 339 H CYS 54 H CYS 54 -5.806 -2.942 -3.683 340 HA CYS 54 HA CYS 54 -4.251 -5.404 -3.300 341 HB2 CYS 54 2HB CYS 54 -6.941 -5.058 -3.262 342 HB3 CYS 54 1HB CYS 54 -6.699 -5.489 -4.950 343 H GLY 55 H GLY 55 -3.337 -3.125 -4.903 344 HA2 GLY 55 2HA GLY 55 -3.704 -3.719 -7.666 345 HA3 GLY 55 1HA GLY 55 -2.477 -2.662 -6.990 346 H PHE 56 H PHE 56 -2.475 -4.831 -9.090 347 HA PHE 56 HA PHE 56 -0.050 -6.156 -8.123 348 HB2 PHE 56 2HB PHE 56 -2.544 -7.479 -8.508 349 HB3 PHE 56 1HB PHE 56 -1.453 -8.013 -9.782 350 HD1 PHE 56 2HD PHE 56 0.603 -9.205 -9.239 351 HD2 PHE 56 1HD PHE 56 -2.149 -8.035 -6.211 352 HE1 PHE 56 2HE PHE 56 1.688 -10.749 -7.660 353 HE2 PHE 56 1HE PHE 56 -1.068 -9.576 -4.627 354 HZ PHE 56 HZ PHE 56 0.853 -10.936 -5.352 355 H ASP 57 H ASP 57 -0.634 -3.930 -9.959 356 HA ASP 57 HA ASP 57 0.769 -4.999 -12.302 357 HB2 ASP 57 2HB ASP 57 -1.902 -3.874 -12.258 358 HB3 ASP 57 1HB ASP 57 -0.838 -2.928 -13.292 359 H GLY 58 H GLY 58 -0.257 -2.078 -10.556 360 HA2 GLY 58 2HA GLY 58 1.567 -0.628 -9.745 361 HA3 GLY 58 1HA GLY 58 2.326 -0.857 -11.312 362 H GLN 59 H GLN 59 -1.112 -0.305 -10.835 363 HA GLN 59 HA GLN 59 -1.164 2.469 -11.147 364 HB2 GLN 59 2HB GLN 59 -0.380 1.221 -13.512 365 HB3 GLN 59 1HB GLN 59 -2.088 1.563 -13.752 366 HG2 GLN 59 2HG GLN 59 -1.657 3.920 -13.141 367 HG3 GLN 59 1HG GLN 59 0.063 3.543 -13.041 368 HE21 GLN 59 1HE2 GLN 59 -2.091 4.974 -14.929 369 HE22 GLN 59 2HE2 GLN 59 -1.421 4.662 -16.491 370 H THR 60 H THR 60 -2.732 -0.587 -11.939 371 HA THR 60 HA THR 60 -5.361 0.277 -12.180 372 HB THR 60 HB THR 60 -4.691 -1.988 -12.746 373 HG1 THR 60 1HG THR 60 -6.537 -2.057 -10.597 374 HG21 THR 60 3HG2 THR 60 -3.073 -2.333 -10.898 375 HG22 THR 60 1HG2 THR 60 -4.192 -3.674 -11.139 376 HG23 THR 60 2HG2 THR 60 -4.440 -2.548 -9.804 377 HA PRO 61 HA PRO 61 -5.990 1.687 -7.955 378 HB2 PRO 61 2HB PRO 61 -8.513 2.600 -8.299 379 HB3 PRO 61 1HB PRO 61 -7.095 3.488 -8.869 380 HG2 PRO 61 2HG PRO 61 -8.965 1.721 -10.400 381 HG3 PRO 61 1HG PRO 61 -8.280 3.291 -10.861 382 HD2 PRO 61 2HD PRO 61 -7.293 0.932 -11.769 383 HD3 PRO 61 1HD PRO 61 -6.278 2.366 -11.517 384 H LYS 62 H LYS 62 -6.269 0.124 -6.483 385 HA LYS 62 HA LYS 62 -8.840 -1.284 -6.431 386 HB2 LYS 62 2HB LYS 62 -6.121 -2.505 -6.559 387 HB3 LYS 62 1HB LYS 62 -7.338 -3.291 -5.563 388 HG2 LYS 62 2HG LYS 62 -8.144 -2.553 -8.307 389 HG3 LYS 62 1HG LYS 62 -6.975 -3.863 -8.139 390 HD2 LYS 62 2HD LYS 62 -8.482 -5.074 -6.689 391 HD3 LYS 62 1HD LYS 62 -9.626 -3.730 -6.704 392 HE2 LYS 62 2HE LYS 62 -10.187 -4.092 -8.956 393 HE3 LYS 62 1HE LYS 62 -8.776 -5.113 -9.229 394 HZ1 LYS 62 3HZ LYS 62 -10.289 -6.741 -8.980 395 HZ2 LYS 62 1HZ LYS 62 -11.356 -5.785 -8.080 396 HZ3 LYS 62 2HZ LYS 62 -10.017 -6.494 -7.329 397 H VAL 63 H VAL 63 -9.409 -2.137 -4.334 398 HA VAL 63 HA VAL 63 -7.835 -1.134 -2.077 399 HB VAL 63 HB VAL 63 -10.802 -0.617 -2.298 400 HG11 VAL 63 1HG1 VAL 63 -8.729 0.229 -0.282 401 HG12 VAL 63 2HG1 VAL 63 -10.084 -0.868 -0.018 402 HG13 VAL 63 3HG1 VAL 63 -10.381 0.841 -0.335 403 HG21 VAL 63 3HG2 VAL 63 -8.570 1.394 -2.536 404 HG22 VAL 63 1HG2 VAL 63 -10.301 1.688 -2.706 405 HG23 VAL 63 2HG2 VAL 63 -9.448 0.722 -3.911 406 H CYS 64 H CYS 64 -8.218 -2.209 -0.105 407 HA CYS 64 HA CYS 64 -9.494 -4.833 -0.431 408 HB2 CYS 64 2HB CYS 64 -7.041 -4.507 0.345 409 HB3 CYS 64 1HB CYS 64 -7.749 -4.052 1.890 410 H CYS 65 H CYS 65 -11.324 -5.317 0.582 411 HA CYS 65 HA CYS 65 -12.234 -3.542 2.749 412 HB2 CYS 65 2HB CYS 65 -13.578 -4.568 0.339 413 HB3 CYS 65 1HB CYS 65 -14.529 -4.701 1.814 414 HA PRO 66 HA PRO 66 -11.980 -7.421 5.028 415 HB2 PRO 66 2HB PRO 66 -12.546 -6.397 7.464 416 HB3 PRO 66 1HB PRO 66 -10.966 -6.197 6.700 417 HG2 PRO 66 2HG PRO 66 -13.258 -4.275 6.840 418 HG3 PRO 66 1HG PRO 66 -11.527 -3.971 7.078 419 HD2 PRO 66 2HD PRO 66 -12.815 -3.415 4.753 420 HD3 PRO 66 1HD PRO 66 -11.103 -3.882 4.817 Start of MODEL 10 1 H GLN 11 H GLN 11 -11.751 -12.029 -5.847 2 HA GLN 11 HA GLN 11 -10.373 -13.256 -4.487 3 HB2 GLN 11 2HB GLN 11 -9.542 -11.105 -5.911 4 HB3 GLN 11 1HB GLN 11 -8.881 -10.704 -4.332 5 HG2 GLN 11 2HG GLN 11 -7.134 -11.879 -5.141 6 HG3 GLN 11 1HG GLN 11 -8.056 -13.222 -4.468 7 HE21 GLN 11 1HE2 GLN 11 -9.111 -14.638 -5.843 8 HE22 GLN 11 2HE2 GLN 11 -8.781 -14.703 -7.537 9 H ALA 12 H ALA 12 -9.107 -13.498 -2.556 10 HA ALA 12 HA ALA 12 -10.234 -11.998 -0.290 11 HB1 ALA 12 3HB ALA 12 -10.760 -14.123 0.281 12 HB2 ALA 12 1HB ALA 12 -9.111 -14.111 0.910 13 HB3 ALA 12 2HB ALA 12 -9.448 -14.821 -0.670 14 H CYS 13 H CYS 13 -8.946 -10.539 0.610 15 HA CYS 13 HA CYS 13 -6.035 -11.008 0.542 16 HB2 CYS 13 2HB CYS 13 -5.683 -8.618 0.409 17 HB3 CYS 13 1HB CYS 13 -6.748 -9.119 -0.899 18 H THR 14 H THR 14 -4.853 -9.798 2.297 19 HA THR 14 HA THR 14 -6.344 -10.102 4.812 20 HB THR 14 HB THR 14 -4.460 -11.578 4.717 21 HG1 THR 14 1HG THR 14 -4.018 -11.062 6.684 22 HG21 THR 14 3HG2 THR 14 -2.160 -10.101 4.719 23 HG22 THR 14 1HG2 THR 14 -3.119 -9.331 3.454 24 HG23 THR 14 2HG2 THR 14 -2.772 -11.058 3.370 25 H LEU 15 H LEU 15 -6.989 -8.277 5.720 26 HA LEU 15 HA LEU 15 -6.197 -5.710 4.950 27 HB2 LEU 15 2HB LEU 15 -7.220 -5.062 7.227 28 HB3 LEU 15 1HB LEU 15 -8.255 -5.795 6.016 29 HG LEU 15 HG LEU 15 -7.008 -7.702 7.882 30 HD11 LEU 15 1HD1 LEU 15 -7.865 -5.408 9.067 31 HD12 LEU 15 2HD1 LEU 15 -7.853 -6.995 9.833 32 HD13 LEU 15 3HD1 LEU 15 -9.331 -6.387 9.086 33 HD21 LEU 15 3HD2 LEU 15 -8.818 -8.927 7.378 34 HD22 LEU 15 1HD2 LEU 15 -9.022 -7.775 6.059 35 HD23 LEU 15 2HD2 LEU 15 -9.920 -7.563 7.563 36 HA PRO 16 HA PRO 16 -2.439 -4.618 6.954 37 HB2 PRO 16 2HB PRO 16 -3.281 -2.480 8.570 38 HB3 PRO 16 1HB PRO 16 -2.696 -2.367 6.910 39 HG2 PRO 16 2HG PRO 16 -5.492 -2.420 7.937 40 HG3 PRO 16 1HG PRO 16 -4.814 -1.532 6.558 41 HD2 PRO 16 2HD PRO 16 -6.304 -3.723 6.197 42 HD3 PRO 16 1HD PRO 16 -4.896 -3.394 5.165 43 H ASN 17 H ASN 17 -5.289 -5.091 8.918 44 HA ASN 17 HA ASN 17 -3.768 -5.420 11.362 45 HB2 ASN 17 2HB ASN 17 -6.639 -5.320 10.627 46 HB3 ASN 17 1HB ASN 17 -6.225 -6.284 12.041 47 HD21 ASN 17 1HD2 ASN 17 -7.378 -4.802 13.331 48 HD22 ASN 17 2HD2 ASN 17 -6.693 -3.277 13.766 49 H ASN 18 H ASN 18 -4.708 -7.364 8.735 50 HA ASN 18 HA ASN 18 -4.412 -9.569 8.276 51 HB2 ASN 18 2HB ASN 18 -2.636 -9.090 10.535 52 HB3 ASN 18 1HB ASN 18 -3.237 -10.745 10.509 53 HD21 ASN 18 1HD2 ASN 18 -1.825 -12.030 9.590 54 HD22 ASN 18 2HD2 ASN 18 -0.887 -11.679 8.182 55 H ASP 19 H ASP 19 -6.674 -9.864 8.356 56 HA ASP 19 HA ASP 19 -7.498 -11.755 10.378 57 HB2 ASP 19 2HB ASP 19 -8.471 -8.965 10.338 58 HB3 ASP 19 1HB ASP 19 -9.719 -10.198 10.484 59 H LYS 20 H LYS 20 -7.081 -11.571 7.433 60 HA LYS 20 HA LYS 20 -8.011 -12.431 5.545 61 HB2 LYS 20 2HB LYS 20 -10.339 -13.406 7.181 62 HB3 LYS 20 1HB LYS 20 -9.630 -14.127 5.743 63 HG2 LYS 20 2HG LYS 20 -8.111 -13.920 8.320 64 HG3 LYS 20 1HG LYS 20 -9.192 -15.269 7.972 65 HD2 LYS 20 2HD LYS 20 -7.221 -16.131 7.195 66 HD3 LYS 20 1HD LYS 20 -7.812 -15.351 5.727 67 HE2 LYS 20 2HE LYS 20 -6.491 -13.292 6.629 68 HE3 LYS 20 1HE LYS 20 -5.634 -14.499 7.588 69 HZ1 LYS 20 3HZ LYS 20 -4.662 -15.397 5.761 70 HZ2 LYS 20 1HZ LYS 20 -4.841 -13.814 5.186 71 HZ3 LYS 20 2HZ LYS 20 -5.944 -15.013 4.726 72 H GLY 21 H GLY 21 -9.266 -11.652 3.917 73 HA2 GLY 21 2HA GLY 21 -11.785 -10.374 4.370 74 HA3 GLY 21 1HA GLY 21 -10.500 -9.207 4.092 75 H THR 22 H THR 22 -11.994 -8.709 2.256 76 HA THR 22 HA THR 22 -11.370 -10.427 -0.056 77 HB THR 22 HB THR 22 -13.802 -8.658 0.262 78 HG1 THR 22 1HG THR 22 -14.898 -10.411 0.875 79 HG21 THR 22 3HG2 THR 22 -13.383 -10.887 -1.704 80 HG22 THR 22 1HG2 THR 22 -13.050 -9.196 -2.075 81 HG23 THR 22 2HG2 THR 22 -14.687 -9.701 -1.657 82 H CYS 23 H CYS 23 -10.783 -9.411 -1.994 83 HA CYS 23 HA CYS 23 -10.143 -6.544 -1.722 84 HB2 CYS 23 2HB CYS 23 -8.262 -8.403 -1.874 85 HB3 CYS 23 1HB CYS 23 -8.602 -8.285 -3.596 86 H LYS 24 H LYS 24 -11.165 -5.258 -3.070 87 HA LYS 24 HA LYS 24 -11.770 -6.153 -5.782 88 HB2 LYS 24 2HB LYS 24 -14.086 -5.070 -5.501 89 HB3 LYS 24 1HB LYS 24 -13.842 -6.671 -4.816 90 HG2 LYS 24 2HG LYS 24 -13.676 -5.799 -2.617 91 HG3 LYS 24 1HG LYS 24 -13.587 -4.143 -3.212 92 HD2 LYS 24 2HD LYS 24 -15.795 -4.337 -2.499 93 HD3 LYS 24 1HD LYS 24 -15.905 -4.621 -4.237 94 HE2 LYS 24 2HE LYS 24 -16.411 -6.825 -3.987 95 HE3 LYS 24 1HE LYS 24 -15.469 -6.983 -2.504 96 HZ1 LYS 24 3HZ LYS 24 -18.227 -6.026 -2.857 97 HZ2 LYS 24 1HZ LYS 24 -17.323 -5.476 -1.537 98 HZ3 LYS 24 2HZ LYS 24 -17.613 -7.132 -1.735 99 H SER 25 H SER 25 -12.445 -4.325 -7.186 100 HA SER 25 HA SER 25 -10.660 -2.203 -7.060 101 HB2 SER 25 2HB SER 25 -13.334 -2.241 -8.481 102 HB3 SER 25 1HB SER 25 -11.977 -1.175 -8.847 103 HG SER 25 HG SER 25 -10.779 -3.226 -9.191 104 H LEU 26 H LEU 26 -11.681 0.187 -7.311 105 HA LEU 26 HA LEU 26 -12.873 0.716 -4.694 106 HB2 LEU 26 2HB LEU 26 -12.187 3.041 -5.072 107 HB3 LEU 26 1HB LEU 26 -10.841 1.924 -5.200 108 HG LEU 26 HG LEU 26 -11.645 2.114 -7.809 109 HD11 LEU 26 1HD1 LEU 26 -12.719 4.001 -8.262 110 HD12 LEU 26 2HD1 LEU 26 -11.537 4.950 -7.361 111 HD13 LEU 26 3HD1 LEU 26 -12.924 4.248 -6.528 112 HD21 LEU 26 3HD2 LEU 26 -9.625 3.819 -6.354 113 HD22 LEU 26 1HD2 LEU 26 -9.676 3.552 -8.097 114 HD23 LEU 26 2HD2 LEU 26 -9.354 2.203 -7.008 115 H LEU 27 H LEU 27 -14.440 -0.293 -6.981 116 HA LEU 27 HA LEU 27 -16.482 1.801 -6.968 117 HB2 LEU 27 2HB LEU 27 -15.687 0.297 -9.459 118 HB3 LEU 27 1HB LEU 27 -16.936 1.520 -9.332 119 HG LEU 27 HG LEU 27 -14.041 2.121 -8.766 120 HD11 LEU 27 1HD1 LEU 27 -14.416 3.226 -11.172 121 HD12 LEU 27 2HD1 LEU 27 -15.444 1.805 -11.347 122 HD13 LEU 27 3HD1 LEU 27 -13.736 1.614 -10.949 123 HD21 LEU 27 3HD2 LEU 27 -16.220 3.574 -8.172 124 HD22 LEU 27 1HD2 LEU 27 -15.931 4.128 -9.822 125 HD23 LEU 27 2HD2 LEU 27 -14.666 4.285 -8.604 126 H GLN 28 H GLN 28 -16.123 -0.748 -5.560 127 HA GLN 28 HA GLN 28 -18.614 -2.034 -6.438 128 HB2 GLN 28 2HB GLN 28 -15.995 -3.352 -5.766 129 HB3 GLN 28 1HB GLN 28 -17.517 -4.219 -5.614 130 HG2 GLN 28 2HG GLN 28 -17.324 -2.908 -8.174 131 HG3 GLN 28 1HG GLN 28 -15.940 -3.962 -7.889 132 HE21 GLN 28 1HE2 GLN 28 -16.483 -5.533 -9.327 133 HE22 GLN 28 2HE2 GLN 28 -17.868 -6.551 -9.159 134 H CYS 29 H CYS 29 -16.227 -1.917 -3.790 135 HA CYS 29 HA CYS 29 -17.986 -2.790 -1.775 136 HB2 CYS 29 2HB CYS 29 -15.313 -2.280 -1.894 137 HB3 CYS 29 1HB CYS 29 -15.871 -0.907 -0.944 138 H ASP 30 H ASP 30 -19.604 -1.804 -0.764 139 HA ASP 30 HA ASP 30 -20.533 0.732 -1.494 140 HB2 ASP 30 2HB ASP 30 -21.207 -1.221 0.655 141 HB3 ASP 30 1HB ASP 30 -21.837 0.417 0.800 142 H VAL 31 H VAL 31 -18.629 -0.321 1.283 143 HA VAL 31 HA VAL 31 -18.643 2.143 2.655 144 HB VAL 31 HB VAL 31 -16.666 1.280 3.865 145 HG11 VAL 31 1HG1 VAL 31 -17.894 -1.051 4.400 146 HG12 VAL 31 2HG1 VAL 31 -19.194 -0.209 3.555 147 HG13 VAL 31 3HG1 VAL 31 -18.466 0.510 4.993 148 HG21 VAL 31 3HG2 VAL 31 -16.860 -1.002 1.904 149 HG22 VAL 31 1HG2 VAL 31 -15.859 -0.997 3.355 150 HG23 VAL 31 2HG2 VAL 31 -15.531 0.147 2.053 151 H ALA 32 H ALA 32 -16.462 0.771 0.249 152 HA ALA 32 HA ALA 32 -14.505 2.804 0.365 153 HB1 ALA 32 3HB ALA 32 -14.421 0.459 -0.744 154 HB2 ALA 32 1HB ALA 32 -13.527 1.793 -1.470 155 HB3 ALA 32 2HB ALA 32 -15.075 1.295 -2.151 156 H SER 33 H SER 33 -17.476 2.449 -1.477 157 HA SER 33 HA SER 33 -17.060 4.629 -3.226 158 HB2 SER 33 2HB SER 33 -19.757 4.468 -3.131 159 HB3 SER 33 1HB SER 33 -18.753 3.368 -4.073 160 HG SER 33 HG SER 33 -19.792 1.936 -2.906 161 H LYS 34 H LYS 34 -18.488 4.387 -0.016 162 HA LYS 34 HA LYS 34 -19.566 7.009 0.003 163 HB2 LYS 34 2HB LYS 34 -19.958 6.694 2.342 164 HB3 LYS 34 1HB LYS 34 -20.286 5.169 1.535 165 HG2 LYS 34 2HG LYS 34 -18.649 4.094 2.621 166 HG3 LYS 34 1HG LYS 34 -17.547 5.465 2.550 167 HD2 LYS 34 2HD LYS 34 -18.594 6.509 4.413 168 HD3 LYS 34 1HD LYS 34 -19.935 5.362 4.379 169 HE2 LYS 34 2HE LYS 34 -18.805 3.843 5.569 170 HE3 LYS 34 1HE LYS 34 -17.331 4.074 4.626 171 HZ1 LYS 34 3HZ LYS 34 -17.062 4.682 6.970 172 HZ2 LYS 34 1HZ LYS 34 -18.250 5.874 6.803 173 HZ3 LYS 34 2HZ LYS 34 -16.798 5.999 5.945 174 H ILE 35 H ILE 35 -16.451 5.667 0.905 175 HA ILE 35 HA ILE 35 -15.431 7.965 2.212 176 HB ILE 35 HB ILE 35 -13.847 5.850 0.744 177 HG12 ILE 35 2HG1 ILE 35 -14.307 5.795 3.697 178 HG13 ILE 35 1HG1 ILE 35 -15.578 5.198 2.637 179 HG21 ILE 35 1HG2 ILE 35 -13.087 7.717 2.986 180 HG22 ILE 35 2HG2 ILE 35 -12.551 7.829 1.309 181 HG23 ILE 35 3HG2 ILE 35 -12.058 6.459 2.302 182 HD11 ILE 35 3HD1 ILE 35 -13.091 3.962 3.428 183 HD12 ILE 35 1HD1 ILE 35 -13.285 3.992 1.676 184 HD13 ILE 35 2HD1 ILE 35 -14.525 3.250 2.686 185 H ILE 36 H ILE 36 -15.503 6.934 -1.148 186 HA ILE 36 HA ILE 36 -13.702 8.890 -2.132 187 HB ILE 36 HB ILE 36 -15.921 7.427 -3.571 188 HG12 ILE 36 2HG1 ILE 36 -14.119 6.019 -2.543 189 HG13 ILE 36 1HG1 ILE 36 -14.226 5.884 -4.294 190 HG21 ILE 36 1HG2 ILE 36 -15.355 9.392 -4.824 191 HG22 ILE 36 2HG2 ILE 36 -14.633 7.996 -5.624 192 HG23 ILE 36 3HG2 ILE 36 -13.631 9.066 -4.644 193 HD11 ILE 36 3HD1 ILE 36 -12.059 6.311 -4.383 194 HD12 ILE 36 1HD1 ILE 36 -12.008 6.657 -2.655 195 HD13 ILE 36 2HD1 ILE 36 -12.398 7.940 -3.800 196 H SER 37 H SER 37 -17.172 8.834 -1.581 197 HA SER 37 HA SER 37 -17.645 11.363 -2.855 198 HB2 SER 37 2HB SER 37 -19.893 11.103 -1.547 199 HB3 SER 37 1HB SER 37 -19.541 10.010 -2.885 200 HG SER 37 HG SER 37 -19.732 9.497 -0.182 201 H LYS 38 H LYS 38 -17.142 10.242 0.441 202 HA LYS 38 HA LYS 38 -17.727 12.779 1.640 203 HB2 LYS 38 2HB LYS 38 -16.642 11.700 3.672 204 HB3 LYS 38 1HB LYS 38 -18.069 10.904 3.039 205 HG2 LYS 38 2HG LYS 38 -16.930 9.036 2.922 206 HG3 LYS 38 1HG LYS 38 -15.846 9.789 1.754 207 HD2 LYS 38 2HD LYS 38 -14.214 9.534 3.253 208 HD3 LYS 38 1HD LYS 38 -15.010 10.781 4.214 209 HE2 LYS 38 2HE LYS 38 -15.223 7.796 4.458 210 HE3 LYS 38 1HE LYS 38 -14.736 8.969 5.679 211 HZ1 LYS 38 3HZ LYS 38 -17.130 9.849 5.356 212 HZ2 LYS 38 1HZ LYS 38 -16.877 8.467 6.300 213 HZ3 LYS 38 2HZ LYS 38 -17.436 8.316 4.711 214 H LYS 39 H LYS 39 -14.930 11.358 0.192 215 HA LYS 39 HA LYS 39 -13.465 13.806 0.530 216 HB2 LYS 39 2HB LYS 39 -12.984 11.562 2.315 217 HB3 LYS 39 1HB LYS 39 -11.539 11.998 1.415 218 HG2 LYS 39 2HG LYS 39 -11.232 13.855 2.602 219 HG3 LYS 39 1HG LYS 39 -12.932 14.314 2.486 220 HD2 LYS 39 2HD LYS 39 -12.355 12.025 4.248 221 HD3 LYS 39 1HD LYS 39 -11.710 13.578 4.785 222 HE2 LYS 39 2HE LYS 39 -14.145 14.395 4.159 223 HE3 LYS 39 1HE LYS 39 -14.531 12.699 4.445 224 HZ1 LYS 39 3HZ LYS 39 -12.944 14.167 6.435 225 HZ2 LYS 39 1HZ LYS 39 -13.988 12.853 6.652 226 HZ3 LYS 39 2HZ LYS 39 -14.618 14.400 6.384 227 HA PRO 40 HA PRO 40 -12.342 11.455 -3.258 228 HB2 PRO 40 2HB PRO 40 -13.170 13.235 -5.080 229 HB3 PRO 40 1HB PRO 40 -14.299 12.133 -4.289 230 HG2 PRO 40 2HG PRO 40 -13.822 15.028 -3.801 231 HG3 PRO 40 1HG PRO 40 -15.330 14.104 -3.699 232 HD2 PRO 40 2HD PRO 40 -13.700 14.858 -1.545 233 HD3 PRO 40 1HD PRO 40 -14.997 13.649 -1.502 234 H ARG 41 H ARG 41 -10.778 13.405 -1.539 235 HA ARG 41 HA ARG 41 -8.529 13.688 -3.140 236 HB2 ARG 41 2HB ARG 41 -10.339 15.534 -3.972 237 HB3 ARG 41 1HB ARG 41 -9.485 16.455 -2.741 238 HG2 ARG 41 2HG ARG 41 -7.346 15.791 -3.901 239 HG3 ARG 41 1HG ARG 41 -8.354 15.187 -5.217 240 HD2 ARG 41 2HD ARG 41 -8.655 17.240 -6.021 241 HD3 ARG 41 1HD ARG 41 -9.158 17.846 -4.444 242 HE ARG 41 HE ARG 41 -7.049 18.684 -4.128 243 HH11 ARG 41 1HH1 ARG 41 -6.991 16.449 -6.807 244 HH12 ARG 41 2HH1 ARG 41 -5.374 16.855 -7.274 245 HH21 ARG 41 1HH2 ARG 41 -4.921 19.220 -4.740 246 HH22 ARG 41 2HH2 ARG 41 -4.198 18.428 -6.100 247 H THR 42 H THR 42 -7.719 12.882 -1.153 248 HA THR 42 HA THR 42 -6.760 14.930 0.599 249 HB THR 42 HB THR 42 -8.369 12.815 1.991 250 HG1 THR 42 1HG THR 42 -9.917 13.757 0.751 251 HG21 THR 42 3HG2 THR 42 -8.484 15.403 3.173 252 HG22 THR 42 1HG2 THR 42 -6.802 14.981 2.851 253 HG23 THR 42 2HG2 THR 42 -7.810 13.907 3.823 254 H ALA 43 H ALA 43 -4.956 14.294 1.724 255 HA ALA 43 HA ALA 43 -3.452 12.166 0.775 256 HB1 ALA 43 3HB ALA 43 -2.137 13.731 1.792 257 HB2 ALA 43 1HB ALA 43 -2.223 12.535 3.084 258 HB3 ALA 43 2HB ALA 43 -3.258 13.962 3.134 259 H GLN 44 H GLN 44 -5.731 12.305 3.425 260 HA GLN 44 HA GLN 44 -5.028 9.928 4.740 261 HB2 GLN 44 2HB GLN 44 -7.705 11.307 4.501 262 HB3 GLN 44 1HB GLN 44 -7.373 9.976 5.603 263 HG2 GLN 44 2HG GLN 44 -5.765 11.297 6.800 264 HG3 GLN 44 1HG GLN 44 -5.915 12.607 5.630 265 HE21 GLN 44 1HE2 GLN 44 -8.310 10.598 7.302 266 HE22 GLN 44 2HE2 GLN 44 -9.178 11.915 8.006 267 H ASP 45 H ASP 45 -6.929 10.529 1.871 268 HA ASP 45 HA ASP 45 -8.128 7.956 1.720 269 HB2 ASP 45 2HB ASP 45 -8.465 10.334 0.386 270 HB3 ASP 45 1HB ASP 45 -7.694 9.329 -0.837 271 H GLU 46 H GLU 46 -5.134 9.339 0.515 272 HA GLU 46 HA GLU 46 -4.442 7.171 -1.179 273 HB2 GLU 46 2HB GLU 46 -2.921 9.461 0.021 274 HB3 GLU 46 1HB GLU 46 -2.069 8.185 -0.839 275 HG2 GLU 46 2HG GLU 46 -3.301 8.649 -2.850 276 HG3 GLU 46 1HG GLU 46 -4.304 9.827 -2.005 277 H LYS 47 H LYS 47 -3.652 7.983 2.161 278 HA LYS 47 HA LYS 47 -1.884 5.802 2.567 279 HB2 LYS 47 2HB LYS 47 -2.174 6.298 4.977 280 HB3 LYS 47 1HB LYS 47 -1.797 7.732 4.031 281 HG2 LYS 47 2HG LYS 47 -4.176 8.337 4.033 282 HG3 LYS 47 1HG LYS 47 -4.518 6.923 5.034 283 HD2 LYS 47 2HD LYS 47 -4.372 8.744 6.528 284 HD3 LYS 47 1HD LYS 47 -2.847 7.872 6.691 285 HE2 LYS 47 2HE LYS 47 -1.634 9.564 5.817 286 HE3 LYS 47 1HE LYS 47 -2.888 10.003 4.657 287 HZ1 LYS 47 3HZ LYS 47 -3.391 10.539 7.490 288 HZ2 LYS 47 1HZ LYS 47 -3.886 11.404 6.124 289 HZ3 LYS 47 2HZ LYS 47 -2.295 11.542 6.682 290 H PHE 48 H PHE 48 -5.337 6.262 2.999 291 HA PHE 48 HA PHE 48 -5.805 3.800 4.333 292 HB2 PHE 48 2HB PHE 48 -7.303 5.943 4.137 293 HB3 PHE 48 1HB PHE 48 -7.913 5.149 2.690 294 HD1 PHE 48 2HD PHE 48 -7.366 4.594 6.322 295 HD2 PHE 48 1HD PHE 48 -9.605 3.576 2.851 296 HE1 PHE 48 2HE PHE 48 -8.900 3.261 7.709 297 HE2 PHE 48 1HE PHE 48 -11.145 2.242 4.230 298 HZ PHE 48 HZ PHE 48 -10.792 2.082 6.662 299 H LEU 49 H LEU 49 -5.962 4.796 0.942 300 HA LEU 49 HA LEU 49 -6.953 2.276 0.037 301 HB2 LEU 49 2HB LEU 49 -6.429 3.082 -2.214 302 HB3 LEU 49 1HB LEU 49 -7.328 4.268 -1.288 303 HG LEU 49 HG LEU 49 -5.045 5.340 -0.793 304 HD11 LEU 49 1HD1 LEU 49 -3.781 4.676 -3.187 305 HD12 LEU 49 2HD1 LEU 49 -4.255 3.135 -2.474 306 HD13 LEU 49 3HD1 LEU 49 -3.258 4.263 -1.555 307 HD21 LEU 49 3HD2 LEU 49 -5.079 6.237 -3.295 308 HD22 LEU 49 1HD2 LEU 49 -6.324 6.668 -2.123 309 HD23 LEU 49 2HD2 LEU 49 -6.626 5.390 -3.299 310 H ARG 50 H ARG 50 -3.784 3.674 0.525 311 HA ARG 50 HA ARG 50 -2.307 1.699 -0.871 312 HB2 ARG 50 2HB ARG 50 -1.404 3.925 -0.234 313 HB3 ARG 50 1HB ARG 50 -1.416 3.420 1.449 314 HG2 ARG 50 2HG ARG 50 0.406 2.094 1.212 315 HG3 ARG 50 1HG ARG 50 0.035 1.694 -0.467 316 HD2 ARG 50 2HD ARG 50 0.726 4.510 0.108 317 HD3 ARG 50 1HD ARG 50 2.032 3.333 0.249 318 HE ARG 50 HE ARG 50 0.524 3.106 -2.187 319 HH11 ARG 50 1HH1 ARG 50 3.193 4.709 -0.613 320 HH12 ARG 50 2HH1 ARG 50 4.008 5.078 -2.095 321 HH21 ARG 50 1HH2 ARG 50 1.595 3.590 -4.138 322 HH22 ARG 50 2HH2 ARG 50 3.102 4.444 -4.097 323 H GLU 51 H GLU 51 -3.422 2.015 2.449 324 HA GLU 51 HA GLU 51 -2.054 -0.301 3.413 325 HB2 GLU 51 2HB GLU 51 -4.308 1.371 4.512 326 HB3 GLU 51 1HB GLU 51 -3.686 -0.040 5.355 327 HG2 GLU 51 2HG GLU 51 -1.419 1.420 4.757 328 HG3 GLU 51 1HG GLU 51 -2.617 2.644 5.181 329 H SER 52 H SER 52 -5.163 0.343 1.972 330 HA SER 52 HA SER 52 -5.902 -2.485 2.296 331 HB2 SER 52 2HB SER 52 -7.702 -1.344 3.190 332 HB3 SER 52 1HB SER 52 -7.506 0.034 2.112 333 HG SER 52 HG SER 52 -9.213 -1.910 1.867 334 H ALA 53 H ALA 53 -4.014 -1.968 0.404 335 HA ALA 53 HA ALA 53 -5.544 -2.336 -2.087 336 HB1 ALA 53 3HB ALA 53 -3.255 -0.518 -1.548 337 HB2 ALA 53 1HB ALA 53 -4.674 -0.281 -2.569 338 HB3 ALA 53 2HB ALA 53 -3.346 -1.297 -3.128 339 H CYS 54 H CYS 54 -5.290 -4.372 -2.719 340 HA CYS 54 HA CYS 54 -2.833 -5.804 -2.058 341 HB2 CYS 54 2HB CYS 54 -4.028 -7.819 -2.663 342 HB3 CYS 54 1HB CYS 54 -5.040 -6.855 -1.593 343 H GLY 55 H GLY 55 -2.360 -3.856 -3.905 344 HA2 GLY 55 2HA GLY 55 -0.973 -5.088 -5.916 345 HA3 GLY 55 1HA GLY 55 -2.576 -4.837 -6.593 346 H PHE 56 H PHE 56 -1.122 -3.558 -8.105 347 HA PHE 56 HA PHE 56 -1.384 -0.767 -7.402 348 HB2 PHE 56 2HB PHE 56 1.243 -2.133 -7.526 349 HB3 PHE 56 1HB PHE 56 1.137 -0.583 -8.353 350 HD1 PHE 56 2HD PHE 56 -0.209 1.243 -6.859 351 HD2 PHE 56 1HD PHE 56 2.031 -2.061 -5.385 352 HE1 PHE 56 2HE PHE 56 0.091 2.409 -4.713 353 HE2 PHE 56 1HE PHE 56 2.335 -0.901 -3.237 354 HZ PHE 56 HZ PHE 56 1.365 1.337 -2.899 355 H ASP 57 H ASP 57 -1.965 0.387 -9.135 356 HA ASP 57 HA ASP 57 -1.032 -0.199 -11.778 357 HB2 ASP 57 2HB ASP 57 -3.787 -1.021 -10.935 358 HB3 ASP 57 1HB ASP 57 -3.515 -0.459 -12.582 359 H GLY 58 H GLY 58 -1.524 1.441 -13.271 360 HA2 GLY 58 2HA GLY 58 -2.412 3.926 -11.998 361 HA3 GLY 58 1HA GLY 58 -1.500 3.801 -13.495 362 H GLN 59 H GLN 59 -4.311 1.826 -12.906 363 HA GLN 59 HA GLN 59 -6.173 3.574 -14.190 364 HB2 GLN 59 2HB GLN 59 -4.646 1.649 -15.799 365 HB3 GLN 59 1HB GLN 59 -6.388 1.529 -16.005 366 HG2 GLN 59 2HG GLN 59 -5.585 4.279 -16.065 367 HG3 GLN 59 1HG GLN 59 -4.627 3.343 -17.211 368 HE21 GLN 59 1HE2 GLN 59 -7.173 5.238 -17.103 369 HE22 GLN 59 2HE2 GLN 59 -8.188 4.521 -18.303 370 H THR 60 H THR 60 -5.377 0.197 -13.445 371 HA THR 60 HA THR 60 -8.175 -0.210 -12.624 372 HB THR 60 HB THR 60 -6.151 -2.374 -13.193 373 HG1 THR 60 1HG THR 60 -6.460 -1.157 -15.079 374 HG21 THR 60 3HG2 THR 60 -7.804 -3.879 -13.017 375 HG22 THR 60 1HG2 THR 60 -9.018 -2.786 -13.681 376 HG23 THR 60 2HG2 THR 60 -8.534 -2.644 -11.990 377 HA PRO 61 HA PRO 61 -5.598 -0.126 -8.730 378 HB2 PRO 61 2HB PRO 61 -7.348 1.398 -7.311 379 HB3 PRO 61 1HB PRO 61 -6.078 2.084 -8.330 380 HG2 PRO 61 2HG PRO 61 -8.985 1.691 -8.933 381 HG3 PRO 61 1HG PRO 61 -7.953 3.094 -9.270 382 HD2 PRO 61 2HD PRO 61 -8.581 1.277 -11.167 383 HD3 PRO 61 1HD PRO 61 -7.014 2.111 -11.137 384 H LYS 62 H LYS 62 -6.268 -0.845 -6.536 385 HA LYS 62 HA LYS 62 -8.747 -2.408 -6.509 386 HB2 LYS 62 2HB LYS 62 -6.017 -3.489 -5.788 387 HB3 LYS 62 1HB LYS 62 -7.538 -4.333 -5.525 388 HG2 LYS 62 2HG LYS 62 -6.768 -3.413 -8.263 389 HG3 LYS 62 1HG LYS 62 -6.119 -4.912 -7.595 390 HD2 LYS 62 2HD LYS 62 -9.067 -4.342 -7.611 391 HD3 LYS 62 1HD LYS 62 -8.256 -5.051 -9.009 392 HE2 LYS 62 2HE LYS 62 -7.657 -6.317 -6.421 393 HE3 LYS 62 1HE LYS 62 -9.325 -6.480 -6.971 394 HZ1 LYS 62 3HZ LYS 62 -7.139 -7.047 -8.850 395 HZ2 LYS 62 1HZ LYS 62 -8.702 -7.693 -8.792 396 HZ3 LYS 62 2HZ LYS 62 -7.534 -8.205 -7.682 397 H VAL 63 H VAL 63 -9.377 -3.107 -4.334 398 HA VAL 63 HA VAL 63 -8.127 -1.626 -2.148 399 HB VAL 63 HB VAL 63 -11.105 -1.520 -2.616 400 HG11 VAL 63 1HG1 VAL 63 -10.890 0.337 -0.901 401 HG12 VAL 63 2HG1 VAL 63 -9.262 -0.270 -0.596 402 HG13 VAL 63 3HG1 VAL 63 -10.658 -1.309 -0.311 403 HG21 VAL 63 3HG2 VAL 63 -8.916 0.250 -3.538 404 HG22 VAL 63 1HG2 VAL 63 -10.367 1.028 -2.906 405 HG23 VAL 63 2HG2 VAL 63 -10.486 -0.088 -4.267 406 H CYS 64 H CYS 64 -8.453 -2.530 -0.088 407 HA CYS 64 HA CYS 64 -9.478 -5.280 -0.159 408 HB2 CYS 64 2HB CYS 64 -7.408 -3.862 1.439 409 HB3 CYS 64 1HB CYS 64 -8.289 -5.161 2.236 410 H CYS 65 H CYS 65 -11.351 -5.752 0.739 411 HA CYS 65 HA CYS 65 -12.453 -3.941 2.783 412 HB2 CYS 65 2HB CYS 65 -13.672 -5.139 0.354 413 HB3 CYS 65 1HB CYS 65 -14.684 -5.064 1.793 414 HA PRO 66 HA PRO 66 -12.144 -7.747 5.183 415 HB2 PRO 66 2HB PRO 66 -13.175 -6.697 7.485 416 HB3 PRO 66 1HB PRO 66 -11.493 -6.491 6.985 417 HG2 PRO 66 2HG PRO 66 -13.801 -4.609 6.689 418 HG3 PRO 66 1HG PRO 66 -12.131 -4.264 7.176 419 HD2 PRO 66 2HD PRO 66 -13.018 -3.778 4.680 420 HD3 PRO 66 1HD PRO 66 -11.354 -4.309 4.998 Start of MODEL 11 1 H GLN 11 H GLN 11 -13.118 -12.345 -3.665 2 HA GLN 11 HA GLN 11 -10.922 -13.454 -4.070 3 HB2 GLN 11 2HB GLN 11 -10.609 -10.866 -5.378 4 HB3 GLN 11 1HB GLN 11 -9.341 -11.170 -4.200 5 HG2 GLN 11 2HG GLN 11 -9.406 -13.542 -5.494 6 HG3 GLN 11 1HG GLN 11 -9.861 -12.438 -6.793 7 HE21 GLN 11 1HE2 GLN 11 -7.342 -14.015 -5.712 8 HE22 GLN 11 2HE2 GLN 11 -6.068 -12.889 -6.014 9 H ALA 12 H ALA 12 -9.411 -13.348 -2.308 10 HA ALA 12 HA ALA 12 -10.430 -11.758 -0.049 11 HB1 ALA 12 3HB ALA 12 -10.123 -13.516 1.335 12 HB2 ALA 12 1HB ALA 12 -8.671 -14.063 0.496 13 HB3 ALA 12 2HB ALA 12 -10.263 -14.436 -0.163 14 H CYS 13 H CYS 13 -9.201 -10.103 0.532 15 HA CYS 13 HA CYS 13 -6.295 -10.276 0.074 16 HB2 CYS 13 2HB CYS 13 -7.133 -8.537 -1.303 17 HB3 CYS 13 1HB CYS 13 -8.179 -7.922 -0.030 18 H THR 14 H THR 14 -4.895 -9.500 1.667 19 HA THR 14 HA THR 14 -6.042 -9.527 4.359 20 HB THR 14 HB THR 14 -4.233 -11.089 3.994 21 HG1 THR 14 1HG THR 14 -3.935 -10.454 5.993 22 HG21 THR 14 3HG2 THR 14 -2.595 -10.653 2.581 23 HG22 THR 14 1HG2 THR 14 -1.942 -9.516 3.760 24 HG23 THR 14 2HG2 THR 14 -3.045 -8.949 2.507 25 H LEU 15 H LEU 15 -6.483 -7.643 5.274 26 HA LEU 15 HA LEU 15 -5.675 -5.149 4.290 27 HB2 LEU 15 2HB LEU 15 -6.395 -4.354 6.632 28 HB3 LEU 15 1HB LEU 15 -7.597 -5.077 5.582 29 HG LEU 15 HG LEU 15 -6.246 -6.975 7.381 30 HD11 LEU 15 1HD1 LEU 15 -8.336 -5.423 8.750 31 HD12 LEU 15 2HD1 LEU 15 -6.780 -4.612 8.568 32 HD13 LEU 15 3HD1 LEU 15 -6.871 -6.171 9.387 33 HD21 LEU 15 3HD2 LEU 15 -8.935 -7.204 7.739 34 HD22 LEU 15 1HD2 LEU 15 -8.008 -8.042 6.496 35 HD23 LEU 15 2HD2 LEU 15 -8.849 -6.543 6.106 36 HA PRO 16 HA PRO 16 -1.680 -4.122 5.798 37 HB2 PRO 16 2HB PRO 16 -2.929 -1.991 7.475 38 HB3 PRO 16 1HB PRO 16 -1.582 -1.881 6.336 39 HG2 PRO 16 2HG PRO 16 -3.993 -0.980 5.666 40 HG3 PRO 16 1HG PRO 16 -2.977 -1.826 4.484 41 HD2 PRO 16 2HD PRO 16 -5.378 -2.795 5.959 42 HD3 PRO 16 1HD PRO 16 -4.827 -3.184 4.317 43 H ASN 17 H ASN 17 -4.260 -4.418 8.154 44 HA ASN 17 HA ASN 17 -2.454 -4.787 10.376 45 HB2 ASN 17 2HB ASN 17 -5.412 -4.724 10.011 46 HB3 ASN 17 1HB ASN 17 -4.774 -5.561 11.423 47 HD21 ASN 17 1HD2 ASN 17 -4.039 -4.408 13.111 48 HD22 ASN 17 2HD2 ASN 17 -4.010 -2.683 13.178 49 H ASN 18 H ASN 18 -3.807 -6.757 7.938 50 HA ASN 18 HA ASN 18 -3.585 -8.972 7.476 51 HB2 ASN 18 2HB ASN 18 -1.289 -8.619 8.509 52 HB3 ASN 18 1HB ASN 18 -1.964 -9.248 10.008 53 HD21 ASN 18 1HD2 ASN 18 -0.454 -10.017 7.134 54 HD22 ASN 18 2HD2 ASN 18 -0.703 -11.727 7.153 55 H ASP 19 H ASP 19 -5.817 -9.241 7.843 56 HA ASP 19 HA ASP 19 -6.406 -11.063 10.009 57 HB2 ASP 19 2HB ASP 19 -8.010 -8.513 9.742 58 HB3 ASP 19 1HB ASP 19 -8.276 -9.804 10.909 59 H LYS 20 H LYS 20 -6.342 -10.975 7.026 60 HA LYS 20 HA LYS 20 -7.499 -11.880 5.290 61 HB2 LYS 20 2HB LYS 20 -9.580 -12.779 7.277 62 HB3 LYS 20 1HB LYS 20 -9.157 -13.518 5.738 63 HG2 LYS 20 2HG LYS 20 -7.406 -13.428 8.186 64 HG3 LYS 20 1HG LYS 20 -8.327 -14.823 7.618 65 HD2 LYS 20 2HD LYS 20 -6.442 -15.382 6.540 66 HD3 LYS 20 1HD LYS 20 -6.913 -14.135 5.385 67 HE2 LYS 20 2HE LYS 20 -5.432 -12.581 6.268 68 HE3 LYS 20 1HE LYS 20 -5.325 -13.417 7.818 69 HZ1 LYS 20 3HZ LYS 20 -3.326 -13.622 6.364 70 HZ2 LYS 20 1HZ LYS 20 -4.258 -14.536 5.286 71 HZ3 LYS 20 2HZ LYS 20 -3.985 -15.099 6.857 72 H GLY 21 H GLY 21 -8.931 -11.122 3.800 73 HA2 GLY 21 2HA GLY 21 -11.304 -9.684 4.619 74 HA3 GLY 21 1HA GLY 21 -10.051 -8.671 3.920 75 H THR 22 H THR 22 -11.476 -8.125 2.227 76 HA THR 22 HA THR 22 -11.677 -10.207 0.160 77 HB THR 22 HB THR 22 -13.770 -8.071 0.479 78 HG1 THR 22 1HG THR 22 -13.699 -10.622 1.707 79 HG21 THR 22 3HG2 THR 22 -13.601 -10.670 -0.980 80 HG22 THR 22 1HG2 THR 22 -14.072 -9.078 -1.577 81 HG23 THR 22 2HG2 THR 22 -15.161 -9.983 -0.526 82 H CYS 23 H CYS 23 -11.403 -9.508 -1.980 83 HA CYS 23 HA CYS 23 -10.383 -6.755 -2.241 84 HB2 CYS 23 2HB CYS 23 -8.499 -8.115 -2.532 85 HB3 CYS 23 1HB CYS 23 -9.402 -9.347 -3.401 86 H LYS 24 H LYS 24 -11.523 -5.496 -3.506 87 HA LYS 24 HA LYS 24 -12.766 -6.545 -5.923 88 HB2 LYS 24 2HB LYS 24 -14.915 -5.446 -5.418 89 HB3 LYS 24 1HB LYS 24 -14.546 -6.729 -4.274 90 HG2 LYS 24 2HG LYS 24 -13.766 -5.037 -2.665 91 HG3 LYS 24 1HG LYS 24 -14.224 -3.772 -3.807 92 HD2 LYS 24 2HD LYS 24 -16.063 -3.888 -2.391 93 HD3 LYS 24 1HD LYS 24 -16.553 -4.895 -3.755 94 HE2 LYS 24 2HE LYS 24 -16.090 -6.893 -2.560 95 HE3 LYS 24 1HE LYS 24 -15.261 -6.011 -1.278 96 HZ1 LYS 24 3HZ LYS 24 -17.519 -6.725 -0.664 97 HZ2 LYS 24 1HZ LYS 24 -18.154 -5.751 -1.895 98 HZ3 LYS 24 2HZ LYS 24 -17.332 -5.045 -0.598 99 H SER 25 H SER 25 -13.701 -4.668 -7.241 100 HA SER 25 HA SER 25 -11.677 -2.764 -7.675 101 HB2 SER 25 2HB SER 25 -14.526 -2.977 -8.640 102 HB3 SER 25 1HB SER 25 -13.489 -1.630 -9.108 103 HG SER 25 HG SER 25 -11.978 -3.298 -9.836 104 H LEU 26 H LEU 26 -12.516 -0.303 -7.909 105 HA LEU 26 HA LEU 26 -13.173 0.474 -5.170 106 HB2 LEU 26 2HB LEU 26 -12.337 2.663 -5.747 107 HB3 LEU 26 1HB LEU 26 -11.170 1.439 -6.205 108 HG LEU 26 HG LEU 26 -12.490 1.699 -8.543 109 HD11 LEU 26 1HD1 LEU 26 -12.946 4.192 -6.998 110 HD12 LEU 26 2HD1 LEU 26 -13.951 3.416 -8.223 111 HD13 LEU 26 3HD1 LEU 26 -12.529 4.340 -8.705 112 HD21 LEU 26 3HD2 LEU 26 -10.311 3.611 -7.747 113 HD22 LEU 26 1HD2 LEU 26 -10.606 2.882 -9.326 114 HD23 LEU 26 2HD2 LEU 26 -10.024 1.888 -7.990 115 H LEU 27 H LEU 27 -15.197 -0.516 -7.087 116 HA LEU 27 HA LEU 27 -17.054 1.724 -6.818 117 HB2 LEU 27 2HB LEU 27 -16.787 0.107 -9.352 118 HB3 LEU 27 1HB LEU 27 -17.939 1.396 -9.059 119 HG LEU 27 HG LEU 27 -14.974 1.888 -8.985 120 HD11 LEU 27 1HD1 LEU 27 -15.672 2.877 -11.374 121 HD12 LEU 27 2HD1 LEU 27 -16.741 1.475 -11.313 122 HD13 LEU 27 3HD1 LEU 27 -14.997 1.262 -11.154 123 HD21 LEU 27 3HD2 LEU 27 -16.065 4.160 -9.837 124 HD22 LEU 27 1HD2 LEU 27 -15.913 3.771 -8.124 125 HD23 LEU 27 2HD2 LEU 27 -17.449 3.518 -8.952 126 H GLN 28 H GLN 28 -16.618 -0.832 -5.416 127 HA GLN 28 HA GLN 28 -19.288 -1.991 -5.862 128 HB2 GLN 28 2HB GLN 28 -16.705 -3.435 -5.265 129 HB3 GLN 28 1HB GLN 28 -18.287 -4.182 -5.094 130 HG2 GLN 28 2HG GLN 28 -18.699 -3.670 -7.503 131 HG3 GLN 28 1HG GLN 28 -17.020 -3.147 -7.616 132 HE21 GLN 28 1HE2 GLN 28 -15.594 -4.619 -8.197 133 HE22 GLN 28 2HE2 GLN 28 -15.804 -6.332 -8.103 134 H CYS 29 H CYS 29 -16.619 -1.673 -3.530 135 HA CYS 29 HA CYS 29 -18.044 -2.412 -1.242 136 HB2 CYS 29 2HB CYS 29 -15.469 -1.774 -1.713 137 HB3 CYS 29 1HB CYS 29 -16.001 -0.282 -0.945 138 H ASP 30 H ASP 30 -19.806 -1.519 -0.422 139 HA ASP 30 HA ASP 30 -20.866 0.953 -1.167 140 HB2 ASP 30 2HB ASP 30 -21.487 -1.126 0.799 141 HB3 ASP 30 1HB ASP 30 -21.974 0.486 1.317 142 H VAL 31 H VAL 31 -18.669 0.087 1.416 143 HA VAL 31 HA VAL 31 -18.877 2.518 2.865 144 HB VAL 31 HB VAL 31 -16.507 0.652 2.802 145 HG11 VAL 31 1HG1 VAL 31 -17.320 2.080 5.256 146 HG12 VAL 31 2HG1 VAL 31 -16.636 3.067 3.963 147 HG13 VAL 31 3HG1 VAL 31 -15.711 1.722 4.629 148 HG21 VAL 31 3HG2 VAL 31 -17.567 -0.439 4.759 149 HG22 VAL 31 1HG2 VAL 31 -18.479 -0.654 3.265 150 HG23 VAL 31 2HG2 VAL 31 -19.019 0.519 4.467 151 H ALA 32 H ALA 32 -16.656 1.358 0.375 152 HA ALA 32 HA ALA 32 -14.962 3.616 0.380 153 HB1 ALA 32 3HB ALA 32 -14.319 2.791 -1.922 154 HB2 ALA 32 1HB ALA 32 -15.508 1.507 -1.693 155 HB3 ALA 32 2HB ALA 32 -14.127 1.635 -0.603 156 H SER 33 H SER 33 -17.921 2.848 -1.351 157 HA SER 33 HA SER 33 -17.827 5.029 -3.152 158 HB2 SER 33 2HB SER 33 -20.470 4.508 -3.021 159 HB3 SER 33 1HB SER 33 -19.338 3.519 -3.944 160 HG SER 33 HG SER 33 -19.940 1.949 -2.703 161 H LYS 34 H LYS 34 -19.144 4.639 0.090 162 HA LYS 34 HA LYS 34 -20.573 7.096 0.102 163 HB2 LYS 34 2HB LYS 34 -20.906 6.736 2.441 164 HB3 LYS 34 1HB LYS 34 -21.029 5.177 1.639 165 HG2 LYS 34 2HG LYS 34 -19.136 4.374 2.604 166 HG3 LYS 34 1HG LYS 34 -18.390 5.963 2.745 167 HD2 LYS 34 2HD LYS 34 -19.486 6.454 4.704 168 HD3 LYS 34 1HD LYS 34 -20.835 5.377 4.340 169 HE2 LYS 34 2HE LYS 34 -18.461 3.817 4.530 170 HE3 LYS 34 1HE LYS 34 -18.549 4.869 5.942 171 HZ1 LYS 34 3HZ LYS 34 -20.848 3.231 5.051 172 HZ2 LYS 34 1HZ LYS 34 -20.618 3.981 6.550 173 HZ3 LYS 34 2HZ LYS 34 -19.682 2.638 6.123 174 H ILE 35 H ILE 35 -17.285 6.190 0.910 175 HA ILE 35 HA ILE 35 -16.605 8.639 2.200 176 HB ILE 35 HB ILE 35 -14.737 6.683 0.857 177 HG12 ILE 35 2HG1 ILE 35 -15.221 6.711 3.804 178 HG13 ILE 35 1HG1 ILE 35 -16.408 5.921 2.770 179 HG21 ILE 35 1HG2 ILE 35 -13.859 8.168 3.227 180 HG22 ILE 35 2HG2 ILE 35 -14.157 9.164 1.804 181 HG23 ILE 35 3HG2 ILE 35 -13.010 7.828 1.720 182 HD11 ILE 35 3HD1 ILE 35 -13.888 4.956 3.693 183 HD12 ILE 35 1HD1 ILE 35 -13.889 5.009 1.930 184 HD13 ILE 35 2HD1 ILE 35 -15.144 4.112 2.786 185 H ILE 36 H ILE 36 -16.293 7.411 -1.090 186 HA ILE 36 HA ILE 36 -14.896 9.699 -2.081 187 HB ILE 36 HB ILE 36 -16.446 7.624 -3.635 188 HG12 ILE 36 2HG1 ILE 36 -14.602 6.771 -2.102 189 HG13 ILE 36 1HG1 ILE 36 -14.448 6.352 -3.805 190 HG21 ILE 36 1HG2 ILE 36 -15.023 8.281 -5.512 191 HG22 ILE 36 2HG2 ILE 36 -14.269 9.521 -4.509 192 HG23 ILE 36 3HG2 ILE 36 -15.980 9.641 -4.922 193 HD11 ILE 36 3HD1 ILE 36 -13.101 8.827 -3.247 194 HD12 ILE 36 1HD1 ILE 36 -12.464 7.323 -3.914 195 HD13 ILE 36 2HD1 ILE 36 -12.542 7.550 -2.166 196 H SER 37 H SER 37 -18.256 8.724 -1.860 197 HA SER 37 HA SER 37 -19.198 10.920 -3.481 198 HB2 SER 37 2HB SER 37 -20.539 8.728 -1.916 199 HB3 SER 37 1HB SER 37 -21.472 10.082 -2.555 200 HG SER 37 HG SER 37 -19.762 8.460 -4.132 201 H LYS 38 H LYS 38 -18.417 10.408 -0.181 202 HA LYS 38 HA LYS 38 -20.160 12.106 1.144 203 HB2 LYS 38 2HB LYS 38 -17.570 10.896 1.673 204 HB3 LYS 38 1HB LYS 38 -17.716 12.479 2.422 205 HG2 LYS 38 2HG LYS 38 -20.083 10.834 2.804 206 HG3 LYS 38 1HG LYS 38 -18.618 10.099 3.459 207 HD2 LYS 38 2HD LYS 38 -19.490 12.928 4.032 208 HD3 LYS 38 1HD LYS 38 -19.857 11.552 5.073 209 HE2 LYS 38 2HE LYS 38 -17.035 12.149 4.268 210 HE3 LYS 38 1HE LYS 38 -17.791 13.026 5.598 211 HZ1 LYS 38 3HZ LYS 38 -18.074 11.053 6.815 212 HZ2 LYS 38 1HZ LYS 38 -16.496 10.972 6.206 213 HZ3 LYS 38 2HZ LYS 38 -17.729 10.068 5.483 214 H LYS 39 H LYS 39 -16.811 13.171 0.801 215 HA LYS 39 HA LYS 39 -17.088 15.309 -0.904 216 HB2 LYS 39 2HB LYS 39 -18.556 15.794 1.459 217 HB3 LYS 39 1HB LYS 39 -17.121 16.804 1.557 218 HG2 LYS 39 2HG LYS 39 -18.057 18.264 0.189 219 HG3 LYS 39 1HG LYS 39 -18.130 17.034 -1.073 220 HD2 LYS 39 2HD LYS 39 -20.351 17.147 -0.944 221 HD3 LYS 39 1HD LYS 39 -20.235 16.427 0.664 222 HE2 LYS 39 2HE LYS 39 -21.289 18.307 1.310 223 HE3 LYS 39 1HE LYS 39 -19.674 19.009 1.231 224 HZ1 LYS 39 3HZ LYS 39 -21.181 18.993 -1.253 225 HZ2 LYS 39 1HZ LYS 39 -20.181 20.192 -0.599 226 HZ3 LYS 39 2HZ LYS 39 -21.769 20.020 -0.045 227 HA PRO 40 HA PRO 40 -13.330 16.331 1.996 228 HB2 PRO 40 2HB PRO 40 -12.977 14.611 4.110 229 HB3 PRO 40 1HB PRO 40 -13.793 16.174 4.224 230 HG2 PRO 40 2HG PRO 40 -14.969 13.437 3.956 231 HG3 PRO 40 1HG PRO 40 -15.498 14.790 4.972 232 HD2 PRO 40 2HD PRO 40 -16.741 14.187 2.671 233 HD3 PRO 40 1HD PRO 40 -16.549 15.866 3.212 234 H ARG 41 H ARG 41 -11.251 15.513 1.767 235 HA ARG 41 HA ARG 41 -10.673 12.746 1.452 236 HB2 ARG 41 2HB ARG 41 -11.797 13.868 -0.798 237 HB3 ARG 41 1HB ARG 41 -10.076 14.025 -1.119 238 HG2 ARG 41 2HG ARG 41 -10.523 11.414 -0.122 239 HG3 ARG 41 1HG ARG 41 -11.737 11.733 -1.363 240 HD2 ARG 41 2HD ARG 41 -9.685 12.657 -2.700 241 HD3 ARG 41 1HD ARG 41 -8.761 11.649 -1.589 242 HE ARG 41 HE ARG 41 -9.543 9.786 -2.674 243 HH11 ARG 41 1HH1 ARG 41 -11.435 12.552 -3.650 244 HH12 ARG 41 2HH1 ARG 41 -12.262 11.700 -4.909 245 HH21 ARG 41 1HH2 ARG 41 -10.630 8.664 -4.332 246 HH22 ARG 41 2HH2 ARG 41 -11.806 9.492 -5.297 247 H THR 42 H THR 42 -8.813 12.810 2.548 248 HA THR 42 HA THR 42 -6.863 14.908 1.867 249 HB THR 42 HB THR 42 -6.540 13.273 4.331 250 HG1 THR 42 1HG THR 42 -8.220 14.077 5.316 251 HG21 THR 42 3HG2 THR 42 -6.408 16.083 4.740 252 HG22 THR 42 1HG2 THR 42 -5.455 15.665 3.317 253 HG23 THR 42 2HG2 THR 42 -5.124 14.880 4.860 254 H ALA 43 H ALA 43 -4.535 14.090 2.508 255 HA ALA 43 HA ALA 43 -3.820 12.132 0.615 256 HB1 ALA 43 3HB ALA 43 -1.599 12.274 2.101 257 HB2 ALA 43 1HB ALA 43 -2.407 13.743 2.650 258 HB3 ALA 43 2HB ALA 43 -2.059 13.515 0.936 259 H GLN 44 H GLN 44 -4.456 11.974 4.053 260 HA GLN 44 HA GLN 44 -3.280 9.510 4.638 261 HB2 GLN 44 2HB GLN 44 -5.732 10.812 5.829 262 HB3 GLN 44 1HB GLN 44 -4.922 9.410 6.515 263 HG2 GLN 44 2HG GLN 44 -2.954 10.671 6.964 264 HG3 GLN 44 1HG GLN 44 -3.563 12.052 6.052 265 HE21 GLN 44 1HE2 GLN 44 -4.411 13.623 7.204 266 HE22 GLN 44 2HE2 GLN 44 -5.073 13.483 8.793 267 H ASP 45 H ASP 45 -6.329 10.295 3.109 268 HA ASP 45 HA ASP 45 -7.467 7.697 3.306 269 HB2 ASP 45 2HB ASP 45 -8.081 9.900 1.326 270 HB3 ASP 45 1HB ASP 45 -9.094 8.497 1.659 271 H GLU 46 H GLU 46 -5.435 9.305 0.935 272 HA GLU 46 HA GLU 46 -5.688 7.317 -1.079 273 HB2 GLU 46 2HB GLU 46 -4.747 9.812 -1.123 274 HB3 GLU 46 1HB GLU 46 -3.219 8.966 -0.918 275 HG2 GLU 46 2HG GLU 46 -3.648 7.667 -2.926 276 HG3 GLU 46 1HG GLU 46 -5.205 8.470 -3.123 277 H LYS 47 H LYS 47 -3.413 7.831 1.561 278 HA LYS 47 HA LYS 47 -1.620 5.770 0.794 279 HB2 LYS 47 2HB LYS 47 -0.763 5.949 3.111 280 HB3 LYS 47 1HB LYS 47 -0.889 7.510 2.314 281 HG2 LYS 47 2HG LYS 47 -2.869 8.048 3.530 282 HG3 LYS 47 1HG LYS 47 -2.956 6.421 4.208 283 HD2 LYS 47 2HD LYS 47 -0.391 7.426 4.822 284 HD3 LYS 47 1HD LYS 47 -1.541 8.714 5.185 285 HE2 LYS 47 2HE LYS 47 -2.471 7.578 6.898 286 HE3 LYS 47 1HE LYS 47 -2.332 6.023 6.079 287 HZ1 LYS 47 3HZ LYS 47 -0.925 6.309 8.115 288 HZ2 LYS 47 1HZ LYS 47 -0.005 7.435 7.249 289 HZ3 LYS 47 2HZ LYS 47 -0.087 5.829 6.727 290 H PHE 48 H PHE 48 -4.486 5.893 2.823 291 HA PHE 48 HA PHE 48 -4.263 3.311 3.924 292 HB2 PHE 48 2HB PHE 48 -5.806 5.247 4.637 293 HB3 PHE 48 1HB PHE 48 -6.891 4.670 3.376 294 HD1 PHE 48 1HD PHE 48 -7.282 2.018 3.480 295 HD2 PHE 48 2HD PHE 48 -6.195 4.498 6.763 296 HE1 PHE 48 1HE PHE 48 -8.214 0.358 5.038 297 HE2 PHE 48 2HE PHE 48 -7.124 2.843 8.327 298 HZ PHE 48 HZ PHE 48 -8.136 0.769 7.465 299 H LEU 49 H LEU 49 -5.940 4.504 1.038 300 HA LEU 49 HA LEU 49 -6.966 1.931 0.338 301 HB2 LEU 49 2HB LEU 49 -7.530 2.967 -1.820 302 HB3 LEU 49 1HB LEU 49 -8.092 3.914 -0.457 303 HG LEU 49 HG LEU 49 -5.919 5.281 -0.796 304 HD11 LEU 49 1HD1 LEU 49 -4.574 4.575 -2.419 305 HD12 LEU 49 2HD1 LEU 49 -5.811 5.076 -3.572 306 HD13 LEU 49 3HD1 LEU 49 -5.772 3.411 -2.987 307 HD21 LEU 49 3HD2 LEU 49 -7.088 6.562 -2.684 308 HD22 LEU 49 1HD2 LEU 49 -7.953 6.366 -1.159 309 HD23 LEU 49 2HD2 LEU 49 -8.355 5.345 -2.540 310 H ARG 50 H ARG 50 -4.096 3.778 -0.446 311 HA ARG 50 HA ARG 50 -3.158 2.106 -2.531 312 HB2 ARG 50 2HB ARG 50 -2.342 4.399 -2.213 313 HB3 ARG 50 1HB ARG 50 -1.616 3.934 -0.680 314 HG2 ARG 50 2HG ARG 50 0.221 3.780 -1.990 315 HG3 ARG 50 1HG ARG 50 -0.409 2.150 -2.236 316 HD2 ARG 50 2HD ARG 50 -1.712 3.748 -4.125 317 HD3 ARG 50 1HD ARG 50 -0.030 4.279 -4.141 318 HE ARG 50 HE ARG 50 -1.060 1.797 -5.111 319 HH11 ARG 50 1HH1 ARG 50 1.750 3.325 -3.715 320 HH12 ARG 50 2HH1 ARG 50 2.862 2.186 -4.396 321 HH21 ARG 50 1HH2 ARG 50 0.403 0.298 -6.007 322 HH22 ARG 50 2HH2 ARG 50 2.098 0.468 -5.698 323 H GLU 51 H GLU 51 -2.757 2.101 0.965 324 HA GLU 51 HA GLU 51 -0.767 0.054 1.002 325 HB2 GLU 51 2HB GLU 51 -1.545 1.843 2.827 326 HB3 GLU 51 1HB GLU 51 -2.518 0.480 3.364 327 HG2 GLU 51 2HG GLU 51 -0.546 -0.874 3.646 328 HG3 GLU 51 1HG GLU 51 0.466 0.409 2.980 329 H SER 52 H SER 52 -4.268 0.127 1.339 330 HA SER 52 HA SER 52 -4.327 -2.793 1.582 331 HB2 SER 52 2HB SER 52 -6.663 -0.883 1.783 332 HB3 SER 52 1HB SER 52 -6.603 -2.568 2.305 333 HG SER 52 HG SER 52 -5.692 -0.293 3.562 334 H ALA 53 H ALA 53 -3.539 -1.730 -0.902 335 HA ALA 53 HA ALA 53 -5.892 -2.139 -2.611 336 HB1 ALA 53 3HB ALA 53 -4.005 -0.177 -2.720 337 HB2 ALA 53 1HB ALA 53 -5.030 -0.667 -4.067 338 HB3 ALA 53 2HB ALA 53 -3.399 -1.323 -3.915 339 H CYS 54 H CYS 54 -6.135 -4.254 -3.005 340 HA CYS 54 HA CYS 54 -4.056 -6.151 -3.097 341 HB2 CYS 54 2HB CYS 54 -5.828 -7.570 -4.298 342 HB3 CYS 54 1HB CYS 54 -6.197 -7.024 -2.668 343 H GLY 55 H GLY 55 -2.515 -5.068 -4.488 344 HA2 GLY 55 2HA GLY 55 -2.288 -6.142 -7.013 345 HA3 GLY 55 1HA GLY 55 -3.094 -4.600 -7.245 346 H PHE 56 H PHE 56 -0.374 -5.633 -7.994 347 HA PHE 56 HA PHE 56 1.239 -3.566 -6.650 348 HB2 PHE 56 2HB PHE 56 2.121 -6.136 -7.979 349 HB3 PHE 56 1HB PHE 56 3.218 -4.915 -7.340 350 HD1 PHE 56 2HD PHE 56 2.677 -4.234 -4.816 351 HD2 PHE 56 1HD PHE 56 1.661 -7.939 -6.647 352 HE1 PHE 56 2HE PHE 56 2.572 -5.294 -2.599 353 HE2 PHE 56 1HE PHE 56 1.552 -9.007 -4.432 354 HZ PHE 56 HZ PHE 56 2.009 -7.684 -2.405 355 H ASP 57 H ASP 57 -0.174 -4.488 -9.602 356 HA ASP 57 HA ASP 57 1.615 -3.570 -11.511 357 HB2 ASP 57 2HB ASP 57 -1.400 -3.589 -11.441 358 HB3 ASP 57 1HB ASP 57 -0.501 -3.035 -12.853 359 H GLY 58 H GLY 58 -0.864 -1.743 -9.731 360 HA2 GLY 58 2HA GLY 58 -0.443 0.492 -8.974 361 HA3 GLY 58 1HA GLY 58 0.659 0.703 -10.325 362 H GLN 59 H GLN 59 -0.726 0.043 -12.501 363 HA GLN 59 HA GLN 59 -2.514 2.239 -12.807 364 HB2 GLN 59 2HB GLN 59 -1.010 0.642 -14.512 365 HB3 GLN 59 1HB GLN 59 -2.672 0.235 -14.916 366 HG2 GLN 59 2HG GLN 59 -2.993 2.822 -14.967 367 HG3 GLN 59 1HG GLN 59 -1.241 2.838 -15.168 368 HE21 GLN 59 1HE2 GLN 59 -4.283 1.879 -16.570 369 HE22 GLN 59 2HE2 GLN 59 -3.690 1.621 -18.172 370 H THR 60 H THR 60 -2.903 -1.186 -12.239 371 HA THR 60 HA THR 60 -5.666 -1.324 -12.892 372 HB THR 60 HB THR 60 -4.052 -3.116 -11.071 373 HG1 THR 60 1HG THR 60 -3.104 -3.151 -13.060 374 HG21 THR 60 3HG2 THR 60 -6.792 -3.166 -11.626 375 HG22 THR 60 1HG2 THR 60 -5.820 -4.414 -10.848 376 HG23 THR 60 2HG2 THR 60 -6.069 -4.450 -12.594 377 HA PRO 61 HA PRO 61 -6.894 0.822 -9.109 378 HB2 PRO 61 2HB PRO 61 -9.492 1.137 -9.769 379 HB3 PRO 61 1HB PRO 61 -8.213 2.148 -10.454 380 HG2 PRO 61 2HG PRO 61 -9.593 -0.229 -11.643 381 HG3 PRO 61 1HG PRO 61 -9.173 1.317 -12.404 382 HD2 PRO 61 2HD PRO 61 -7.692 -0.943 -12.722 383 HD3 PRO 61 1HD PRO 61 -6.992 0.687 -12.766 384 H LYS 62 H LYS 62 -6.751 -0.756 -7.551 385 HA LYS 62 HA LYS 62 -9.167 -2.364 -7.148 386 HB2 LYS 62 2HB LYS 62 -6.332 -3.371 -7.200 387 HB3 LYS 62 1HB LYS 62 -7.588 -4.218 -6.310 388 HG2 LYS 62 2HG LYS 62 -8.851 -4.041 -8.623 389 HG3 LYS 62 1HG LYS 62 -7.199 -3.926 -9.236 390 HD2 LYS 62 2HD LYS 62 -7.470 -6.032 -7.261 391 HD3 LYS 62 1HD LYS 62 -8.585 -6.253 -8.610 392 HE2 LYS 62 2HE LYS 62 -6.724 -6.058 -10.183 393 HE3 LYS 62 1HE LYS 62 -5.609 -5.824 -8.839 394 HZ1 LYS 62 3HZ LYS 62 -6.083 -8.185 -9.943 395 HZ2 LYS 62 1HZ LYS 62 -7.261 -8.212 -8.729 396 HZ3 LYS 62 2HZ LYS 62 -5.633 -8.003 -8.324 397 H VAL 63 H VAL 63 -9.526 -3.006 -4.950 398 HA VAL 63 HA VAL 63 -7.835 -1.788 -2.912 399 HB VAL 63 HB VAL 63 -10.796 -1.207 -2.988 400 HG11 VAL 63 1HG1 VAL 63 -9.849 0.598 -1.311 401 HG12 VAL 63 2HG1 VAL 63 -8.574 -0.604 -1.105 402 HG13 VAL 63 3HG1 VAL 63 -10.252 -1.032 -0.775 403 HG21 VAL 63 3HG2 VAL 63 -9.867 0.024 -4.789 404 HG22 VAL 63 1HG2 VAL 63 -8.455 0.484 -3.837 405 HG23 VAL 63 2HG2 VAL 63 -10.039 1.156 -3.448 406 H CYS 64 H CYS 64 -8.308 -2.550 -0.753 407 HA CYS 64 HA CYS 64 -9.589 -5.195 -0.791 408 HB2 CYS 64 2HB CYS 64 -7.547 -4.101 1.155 409 HB3 CYS 64 1HB CYS 64 -8.195 -5.737 1.147 410 H CYS 65 H CYS 65 -11.438 -5.454 0.256 411 HA CYS 65 HA CYS 65 -12.132 -3.539 2.386 412 HB2 CYS 65 2HB CYS 65 -13.661 -4.504 0.052 413 HB3 CYS 65 1HB CYS 65 -14.556 -4.449 1.566 414 HA PRO 66 HA PRO 66 -12.117 -7.380 4.746 415 HB2 PRO 66 2HB PRO 66 -12.610 -6.240 7.161 416 HB3 PRO 66 1HB PRO 66 -11.011 -6.237 6.406 417 HG2 PRO 66 2HG PRO 66 -13.079 -4.073 6.471 418 HG3 PRO 66 1HG PRO 66 -11.325 -3.953 6.702 419 HD2 PRO 66 2HD PRO 66 -12.529 -3.318 4.364 420 HD3 PRO 66 1HD PRO 66 -10.896 -4.012 4.437 Start of MODEL 12 1 H GLN 11 H GLN 11 -11.642 -12.175 -4.255 2 HA GLN 11 HA GLN 11 -10.013 -14.029 -3.903 3 HB2 GLN 11 2HB GLN 11 -8.398 -13.125 -5.556 4 HB3 GLN 11 1HB GLN 11 -8.132 -11.737 -4.510 5 HG2 GLN 11 2HG GLN 11 -6.925 -12.936 -2.985 6 HG3 GLN 11 1HG GLN 11 -7.718 -14.457 -3.389 7 HE21 GLN 11 1HE2 GLN 11 -4.950 -14.149 -3.107 8 HE22 GLN 11 2HE2 GLN 11 -4.210 -14.436 -4.642 9 H ALA 12 H ALA 12 -9.057 -14.127 -1.790 10 HA ALA 12 HA ALA 12 -10.154 -12.107 -0.005 11 HB1 ALA 12 3HB ALA 12 -10.304 -13.727 1.543 12 HB2 ALA 12 1HB ALA 12 -8.701 -14.366 1.178 13 HB3 ALA 12 2HB ALA 12 -10.079 -14.813 0.172 14 H CYS 13 H CYS 13 -8.966 -10.477 0.722 15 HA CYS 13 HA CYS 13 -6.041 -10.816 0.836 16 HB2 CYS 13 2HB CYS 13 -5.808 -8.444 0.417 17 HB3 CYS 13 1HB CYS 13 -6.818 -9.151 -0.838 18 H THR 14 H THR 14 -4.979 -9.344 2.464 19 HA THR 14 HA THR 14 -6.509 -9.472 4.967 20 HB THR 14 HB THR 14 -4.452 -10.758 4.991 21 HG1 THR 14 1HG THR 14 -4.953 -9.707 6.921 22 HG21 THR 14 3HG2 THR 14 -2.442 -8.794 5.030 23 HG22 THR 14 1HG2 THR 14 -3.367 -8.559 3.546 24 HG23 THR 14 2HG2 THR 14 -2.645 -10.129 3.896 25 H LEU 15 H LEU 15 -7.354 -7.630 5.651 26 HA LEU 15 HA LEU 15 -6.783 -5.100 4.598 27 HB2 LEU 15 2HB LEU 15 -7.965 -4.284 6.716 28 HB3 LEU 15 1HB LEU 15 -8.868 -5.313 5.621 29 HG LEU 15 HG LEU 15 -7.462 -6.765 7.754 30 HD11 LEU 15 1HD1 LEU 15 -8.577 -5.996 9.586 31 HD12 LEU 15 2HD1 LEU 15 -9.931 -5.375 8.643 32 HD13 LEU 15 3HD1 LEU 15 -8.408 -4.484 8.693 33 HD21 LEU 15 3HD2 LEU 15 -9.127 -8.239 7.442 34 HD22 LEU 15 1HD2 LEU 15 -9.424 -7.326 5.964 35 HD23 LEU 15 2HD2 LEU 15 -10.368 -6.988 7.415 36 HA PRO 16 HA PRO 16 -3.248 -3.381 6.567 37 HB2 PRO 16 2HB PRO 16 -5.021 -1.356 7.858 38 HB3 PRO 16 1HB PRO 16 -3.550 -1.120 6.905 39 HG2 PRO 16 2HG PRO 16 -5.942 -0.643 5.839 40 HG3 PRO 16 1HG PRO 16 -4.656 -1.405 4.883 41 HD2 PRO 16 2HD PRO 16 -7.082 -2.626 6.115 42 HD3 PRO 16 1HD PRO 16 -6.261 -3.030 4.593 43 H ASN 17 H ASN 17 -6.096 -3.912 8.539 44 HA ASN 17 HA ASN 17 -4.625 -3.861 11.025 45 HB2 ASN 17 2HB ASN 17 -7.177 -3.309 10.523 46 HB3 ASN 17 1HB ASN 17 -7.363 -5.029 10.852 47 HD21 ASN 17 1HD2 ASN 17 -8.468 -2.950 12.394 48 HD22 ASN 17 2HD2 ASN 17 -7.760 -3.018 13.968 49 H ASN 18 H ASN 18 -5.296 -6.156 8.594 50 HA ASN 18 HA ASN 18 -4.705 -8.340 8.359 51 HB2 ASN 18 2HB ASN 18 -2.727 -7.508 9.840 52 HB3 ASN 18 1HB ASN 18 -3.545 -8.387 11.128 53 HD21 ASN 18 1HD2 ASN 18 -2.632 -8.875 7.732 54 HD22 ASN 18 2HD2 ASN 18 -2.047 -10.487 7.945 55 H ASP 19 H ASP 19 -6.952 -8.824 8.414 56 HA ASP 19 HA ASP 19 -7.639 -10.638 10.556 57 HB2 ASP 19 2HB ASP 19 -8.440 -8.114 10.999 58 HB3 ASP 19 1HB ASP 19 -9.779 -8.654 9.992 59 H LYS 20 H LYS 20 -7.159 -10.630 7.615 60 HA LYS 20 HA LYS 20 -7.948 -11.694 5.770 61 HB2 LYS 20 2HB LYS 20 -9.940 -12.816 7.748 62 HB3 LYS 20 1HB LYS 20 -9.744 -13.389 6.098 63 HG2 LYS 20 2HG LYS 20 -7.904 -14.567 6.590 64 HG3 LYS 20 1HG LYS 20 -7.268 -13.321 7.664 65 HD2 LYS 20 2HD LYS 20 -9.640 -14.555 8.768 66 HD3 LYS 20 1HD LYS 20 -8.400 -15.758 8.403 67 HE2 LYS 20 2HE LYS 20 -7.613 -13.252 9.811 68 HE3 LYS 20 1HE LYS 20 -8.447 -14.511 10.720 69 HZ1 LYS 20 3HZ LYS 20 -6.031 -15.053 9.095 70 HZ2 LYS 20 1HZ LYS 20 -6.734 -16.041 10.277 71 HZ3 LYS 20 2HZ LYS 20 -5.950 -14.611 10.726 72 H GLY 21 H GLY 21 -9.356 -11.315 4.083 73 HA2 GLY 21 2HA GLY 21 -11.962 -10.211 4.443 74 HA3 GLY 21 1HA GLY 21 -10.797 -8.962 4.031 75 H THR 22 H THR 22 -11.984 -8.593 2.095 76 HA THR 22 HA THR 22 -11.368 -10.561 -0.004 77 HB THR 22 HB THR 22 -13.856 -8.863 -0.037 78 HG1 THR 22 1HG THR 22 -13.480 -11.437 1.071 79 HG21 THR 22 3HG2 THR 22 -12.795 -10.256 -2.055 80 HG22 THR 22 1HG2 THR 22 -14.531 -10.035 -1.832 81 HG23 THR 22 2HG2 THR 22 -13.756 -11.524 -1.292 82 H CYS 23 H CYS 23 -10.801 -9.720 -2.023 83 HA CYS 23 HA CYS 23 -10.305 -6.812 -2.051 84 HB2 CYS 23 2HB CYS 23 -8.324 -8.539 -1.958 85 HB3 CYS 23 1HB CYS 23 -8.655 -8.706 -3.679 86 H LYS 24 H LYS 24 -11.383 -5.735 -3.539 87 HA LYS 24 HA LYS 24 -11.868 -6.928 -6.155 88 HB2 LYS 24 2HB LYS 24 -14.265 -6.094 -6.053 89 HB3 LYS 24 1HB LYS 24 -13.901 -7.528 -5.103 90 HG2 LYS 24 2HG LYS 24 -13.846 -6.252 -3.078 91 HG3 LYS 24 1HG LYS 24 -13.994 -4.740 -3.976 92 HD2 LYS 24 2HD LYS 24 -16.216 -4.906 -4.017 93 HD3 LYS 24 1HD LYS 24 -16.133 -6.545 -4.664 94 HE2 LYS 24 2HE LYS 24 -15.457 -6.295 -1.814 95 HE3 LYS 24 1HE LYS 24 -17.126 -5.895 -2.221 96 HZ1 LYS 24 3HZ LYS 24 -17.301 -8.129 -1.908 97 HZ2 LYS 24 1HZ LYS 24 -15.725 -8.458 -2.430 98 HZ3 LYS 24 2HZ LYS 24 -16.938 -8.124 -3.559 99 H SER 25 H SER 25 -12.862 -5.246 -7.663 100 HA SER 25 HA SER 25 -11.203 -2.986 -7.738 101 HB2 SER 25 2HB SER 25 -13.815 -3.497 -9.184 102 HB3 SER 25 1HB SER 25 -12.667 -2.221 -9.589 103 HG SER 25 HG SER 25 -11.106 -3.994 -9.843 104 H LEU 26 H LEU 26 -12.426 -0.730 -8.189 105 HA LEU 26 HA LEU 26 -13.750 -0.119 -5.652 106 HB2 LEU 26 2HB LEU 26 -13.229 2.225 -6.173 107 HB3 LEU 26 1HB LEU 26 -11.798 1.211 -6.147 108 HG LEU 26 HG LEU 26 -12.537 1.169 -8.811 109 HD11 LEU 26 1HD1 LEU 26 -13.476 3.086 -9.469 110 HD12 LEU 26 2HD1 LEU 26 -12.505 4.052 -8.359 111 HD13 LEU 26 3HD1 LEU 26 -13.974 3.261 -7.787 112 HD21 LEU 26 3HD2 LEU 26 -10.555 2.489 -9.163 113 HD22 LEU 26 1HD2 LEU 26 -10.272 1.366 -7.833 114 HD23 LEU 26 2HD2 LEU 26 -10.597 3.066 -7.497 115 H LEU 27 H LEU 27 -15.147 -1.406 -7.888 116 HA LEU 27 HA LEU 27 -17.262 0.605 -8.238 117 HB2 LEU 27 2HB LEU 27 -16.600 -1.409 -10.367 118 HB3 LEU 27 1HB LEU 27 -17.614 0.015 -10.495 119 HG LEU 27 HG LEU 27 -14.770 0.501 -9.834 120 HD11 LEU 27 1HD1 LEU 27 -15.669 -0.491 -12.532 121 HD12 LEU 27 2HD1 LEU 27 -14.466 -1.223 -11.471 122 HD13 LEU 27 3HD1 LEU 27 -14.140 0.336 -12.230 123 HD21 LEU 27 3HD2 LEU 27 -16.168 1.862 -12.047 124 HD22 LEU 27 1HD2 LEU 27 -15.177 2.525 -10.747 125 HD23 LEU 27 2HD2 LEU 27 -16.857 2.086 -10.437 126 H GLN 28 H GLN 28 -16.962 -1.537 -6.297 127 HA GLN 28 HA GLN 28 -19.457 -2.945 -6.879 128 HB2 GLN 28 2HB GLN 28 -16.805 -4.206 -6.339 129 HB3 GLN 28 1HB GLN 28 -18.252 -4.982 -5.708 130 HG2 GLN 28 2HG GLN 28 -19.180 -4.992 -8.010 131 HG3 GLN 28 1HG GLN 28 -17.635 -4.369 -8.587 132 HE21 GLN 28 1HE2 GLN 28 -17.609 -6.308 -9.891 133 HE22 GLN 28 2HE2 GLN 28 -17.041 -7.787 -9.202 134 H CYS 29 H CYS 29 -16.942 -2.266 -4.464 135 HA CYS 29 HA CYS 29 -18.614 -2.870 -2.236 136 HB2 CYS 29 2HB CYS 29 -15.897 -2.392 -2.617 137 HB3 CYS 29 1HB CYS 29 -16.437 -1.035 -1.637 138 H ASP 30 H ASP 30 -20.492 -1.699 -2.270 139 HA ASP 30 HA ASP 30 -20.785 0.996 -2.903 140 HB2 ASP 30 2HB ASP 30 -22.381 -1.044 -1.507 141 HB3 ASP 30 1HB ASP 30 -22.736 0.608 -1.017 142 H VAL 31 H VAL 31 -19.708 -0.554 0.025 143 HA VAL 31 HA VAL 31 -19.975 1.645 1.775 144 HB VAL 31 HB VAL 31 -18.341 0.465 3.209 145 HG11 VAL 31 1HG1 VAL 31 -20.897 -0.238 2.665 146 HG12 VAL 31 2HG1 VAL 31 -19.909 -0.980 3.923 147 HG13 VAL 31 3HG1 VAL 31 -20.061 -1.757 2.347 148 HG21 VAL 31 3HG2 VAL 31 -17.879 -1.966 2.193 149 HG22 VAL 31 1HG2 VAL 31 -16.765 -0.615 1.987 150 HG23 VAL 31 2HG2 VAL 31 -17.892 -1.032 0.698 151 H ALA 32 H ALA 32 -17.382 0.579 -0.362 152 HA ALA 32 HA ALA 32 -15.409 2.373 0.546 153 HB1 ALA 32 3HB ALA 32 -14.404 1.978 -1.751 154 HB2 ALA 32 1HB ALA 32 -15.789 0.931 -2.062 155 HB3 ALA 32 2HB ALA 32 -14.673 0.552 -0.750 156 H SER 33 H SER 33 -17.922 2.665 -1.902 157 HA SER 33 HA SER 33 -17.060 5.121 -2.992 158 HB2 SER 33 2HB SER 33 -19.474 3.435 -3.149 159 HB3 SER 33 1HB SER 33 -19.748 5.154 -3.440 160 HG SER 33 HG SER 33 -17.685 3.710 -4.730 161 H LYS 34 H LYS 34 -19.221 4.340 -0.316 162 HA LYS 34 HA LYS 34 -20.146 6.983 0.087 163 HB2 LYS 34 2HB LYS 34 -21.090 6.213 2.128 164 HB3 LYS 34 1HB LYS 34 -21.233 4.895 0.976 165 HG2 LYS 34 2HG LYS 34 -20.054 3.526 2.263 166 HG3 LYS 34 1HG LYS 34 -18.779 4.718 2.499 167 HD2 LYS 34 2HD LYS 34 -20.196 5.818 4.215 168 HD3 LYS 34 1HD LYS 34 -21.366 4.510 4.031 169 HE2 LYS 34 2HE LYS 34 -19.973 2.947 5.002 170 HE3 LYS 34 1HE LYS 34 -18.513 3.861 4.619 171 HZ1 LYS 34 3HZ LYS 34 -20.486 4.935 6.529 172 HZ2 LYS 34 1HZ LYS 34 -18.834 5.277 6.397 173 HZ3 LYS 34 2HZ LYS 34 -19.342 3.797 7.035 174 H ILE 35 H ILE 35 -17.318 5.242 1.194 175 HA ILE 35 HA ILE 35 -16.549 7.066 3.223 176 HB ILE 35 HB ILE 35 -14.764 5.241 1.608 177 HG12 ILE 35 2HG1 ILE 35 -15.712 4.548 4.345 178 HG13 ILE 35 1HG1 ILE 35 -16.852 4.357 3.018 179 HG21 ILE 35 1HG2 ILE 35 -13.620 7.031 2.896 180 HG22 ILE 35 2HG2 ILE 35 -13.213 5.400 3.432 181 HG23 ILE 35 3HG2 ILE 35 -14.345 6.379 4.366 182 HD11 ILE 35 3HD1 ILE 35 -14.490 3.188 2.119 183 HD12 ILE 35 1HD1 ILE 35 -15.957 2.367 2.659 184 HD13 ILE 35 2HD1 ILE 35 -14.651 2.686 3.802 185 H ILE 36 H ILE 36 -15.770 6.796 -0.207 186 HA ILE 36 HA ILE 36 -13.843 8.857 -0.289 187 HB ILE 36 HB ILE 36 -15.650 7.934 -2.528 188 HG12 ILE 36 2HG1 ILE 36 -14.318 6.123 -1.381 189 HG13 ILE 36 1HG1 ILE 36 -13.974 6.323 -3.096 190 HG21 ILE 36 1HG2 ILE 36 -14.006 8.823 -4.026 191 HG22 ILE 36 2HG2 ILE 36 -12.937 9.234 -2.686 192 HG23 ILE 36 3HG2 ILE 36 -14.463 10.091 -2.889 193 HD11 ILE 36 3HD1 ILE 36 -11.906 6.008 -2.006 194 HD12 ILE 36 1HD1 ILE 36 -12.301 7.190 -0.759 195 HD13 ILE 36 2HD1 ILE 36 -11.999 7.722 -2.413 196 H SER 37 H SER 37 -17.336 8.847 -0.451 197 HA SER 37 HA SER 37 -17.366 11.718 -1.037 198 HB2 SER 37 2HB SER 37 -18.857 10.416 -2.418 199 HB3 SER 37 1HB SER 37 -19.584 9.663 -0.998 200 HG SER 37 HG SER 37 -20.706 11.436 -0.610 201 H LYS 38 H LYS 38 -17.158 9.856 1.655 202 HA LYS 38 HA LYS 38 -18.983 11.501 3.248 203 HB2 LYS 38 2HB LYS 38 -17.689 8.846 3.643 204 HB3 LYS 38 1HB LYS 38 -18.066 9.800 5.069 205 HG2 LYS 38 2HG LYS 38 -20.231 9.525 3.089 206 HG3 LYS 38 1HG LYS 38 -19.769 8.059 3.954 207 HD2 LYS 38 2HD LYS 38 -21.418 8.969 5.314 208 HD3 LYS 38 1HD LYS 38 -19.928 9.536 6.068 209 HE2 LYS 38 2HE LYS 38 -20.341 11.691 5.560 210 HE3 LYS 38 1HE LYS 38 -21.017 11.296 3.981 211 HZ1 LYS 38 3HZ LYS 38 -22.611 10.517 6.282 212 HZ2 LYS 38 1HZ LYS 38 -23.095 11.178 4.801 213 HZ3 LYS 38 2HZ LYS 38 -22.473 12.181 6.013 214 H LYS 39 H LYS 39 -15.589 10.528 3.079 215 HA LYS 39 HA LYS 39 -14.864 13.008 4.442 216 HB2 LYS 39 2HB LYS 39 -14.176 10.239 5.388 217 HB3 LYS 39 1HB LYS 39 -13.136 11.605 5.762 218 HG2 LYS 39 2HG LYS 39 -14.524 12.391 7.326 219 HG3 LYS 39 1HG LYS 39 -15.959 12.074 6.350 220 HD2 LYS 39 2HD LYS 39 -16.412 10.327 7.648 221 HD3 LYS 39 1HD LYS 39 -14.924 9.560 7.090 222 HE2 LYS 39 2HE LYS 39 -13.938 11.270 8.935 223 HE3 LYS 39 1HE LYS 39 -15.521 10.927 9.632 224 HZ1 LYS 39 3HZ LYS 39 -13.601 9.416 10.277 225 HZ2 LYS 39 1HZ LYS 39 -13.730 8.758 8.723 226 HZ3 LYS 39 2HZ LYS 39 -15.037 8.665 9.791 227 HA PRO 40 HA PRO 40 -12.320 12.295 0.641 228 HB2 PRO 40 2HB PRO 40 -12.092 15.236 0.995 229 HB3 PRO 40 1HB PRO 40 -12.454 14.303 -0.460 230 HG2 PRO 40 2HG PRO 40 -14.373 15.659 0.792 231 HG3 PRO 40 1HG PRO 40 -14.696 14.062 0.091 232 HD2 PRO 40 2HD PRO 40 -14.248 14.824 2.950 233 HD3 PRO 40 1HD PRO 40 -15.391 13.653 2.259 234 H ARG 41 H ARG 41 -10.077 13.390 0.177 235 HA ARG 41 HA ARG 41 -8.436 14.455 2.088 236 HB2 ARG 41 2HB ARG 41 -9.091 11.836 2.848 237 HB3 ARG 41 1HB ARG 41 -7.476 11.719 2.168 238 HG2 ARG 41 2HG ARG 41 -7.127 12.096 4.436 239 HG3 ARG 41 1HG ARG 41 -6.870 13.672 3.684 240 HD2 ARG 41 2HD ARG 41 -9.050 14.413 4.357 241 HD3 ARG 41 1HD ARG 41 -9.471 12.800 4.929 242 HE ARG 41 HE ARG 41 -7.299 13.422 6.409 243 HH11 ARG 41 1HH1 ARG 41 -10.296 15.092 5.768 244 HH12 ARG 41 2HH1 ARG 41 -10.322 15.896 7.302 245 HH21 ARG 41 1HH2 ARG 41 -7.331 14.478 8.426 246 HH22 ARG 41 2HH2 ARG 41 -8.637 15.548 8.811 247 H THR 42 H THR 42 -6.398 14.771 1.289 248 HA THR 42 HA THR 42 -6.043 14.109 -1.505 249 HB THR 42 HB THR 42 -4.376 15.836 0.333 250 HG1 THR 42 1HG THR 42 -6.176 16.962 0.098 251 HG21 THR 42 3HG2 THR 42 -2.879 15.739 -1.321 252 HG22 THR 42 1HG2 THR 42 -3.995 16.809 -2.169 253 HG23 THR 42 2HG2 THR 42 -4.039 15.071 -2.469 254 H ALA 43 H ALA 43 -3.097 14.515 0.233 255 HA ALA 43 HA ALA 43 -1.989 12.123 -0.699 256 HB1 ALA 43 3HB ALA 43 -1.044 13.694 1.693 257 HB2 ALA 43 1HB ALA 43 -0.720 14.154 0.022 258 HB3 ALA 43 2HB ALA 43 -0.088 12.634 0.656 259 H GLN 44 H GLN 44 -3.698 12.925 2.241 260 HA GLN 44 HA GLN 44 -3.013 10.631 3.736 261 HB2 GLN 44 2HB GLN 44 -5.146 12.699 3.871 262 HB3 GLN 44 1HB GLN 44 -5.408 11.207 4.763 263 HG2 GLN 44 2HG GLN 44 -3.171 11.578 5.839 264 HG3 GLN 44 1HG GLN 44 -3.162 13.175 5.091 265 HE21 GLN 44 1HE2 GLN 44 -3.381 14.484 6.796 266 HE22 GLN 44 2HE2 GLN 44 -4.695 14.441 7.916 267 H ASP 45 H ASP 45 -5.565 11.280 1.401 268 HA ASP 45 HA ASP 45 -6.962 8.834 1.803 269 HB2 ASP 45 2HB ASP 45 -8.071 10.736 0.746 270 HB3 ASP 45 1HB ASP 45 -6.914 10.703 -0.580 271 H GLU 46 H GLU 46 -4.332 9.874 -0.266 272 HA GLU 46 HA GLU 46 -4.258 7.618 -1.953 273 HB2 GLU 46 2HB GLU 46 -2.540 9.917 -1.383 274 HB3 GLU 46 1HB GLU 46 -1.644 8.476 -1.843 275 HG2 GLU 46 2HG GLU 46 -3.975 9.134 -3.520 276 HG3 GLU 46 1HG GLU 46 -2.622 10.262 -3.592 277 H LYS 47 H LYS 47 -2.603 8.342 1.085 278 HA LYS 47 HA LYS 47 -1.080 5.946 1.129 279 HB2 LYS 47 2HB LYS 47 -0.723 6.478 3.527 280 HB3 LYS 47 1HB LYS 47 -0.380 7.836 2.463 281 HG2 LYS 47 2HG LYS 47 -2.439 8.898 3.045 282 HG3 LYS 47 1HG LYS 47 -2.972 7.480 3.949 283 HD2 LYS 47 2HD LYS 47 -0.391 8.422 4.868 284 HD3 LYS 47 1HD LYS 47 -1.613 9.691 4.955 285 HE2 LYS 47 2HE LYS 47 -3.087 7.895 6.063 286 HE3 LYS 47 1HE LYS 47 -1.581 7.009 6.294 287 HZ1 LYS 47 3HZ LYS 47 -0.789 9.248 7.302 288 HZ2 LYS 47 1HZ LYS 47 -1.736 8.198 8.233 289 HZ3 LYS 47 2HZ LYS 47 -2.442 9.549 7.497 290 H PHE 48 H PHE 48 -4.235 6.863 2.359 291 HA PHE 48 HA PHE 48 -4.688 4.499 3.857 292 HB2 PHE 48 2HB PHE 48 -6.101 6.929 3.275 293 HB3 PHE 48 1HB PHE 48 -7.182 5.558 3.048 294 HD1 PHE 48 1HD PHE 48 -7.421 3.899 4.948 295 HD2 PHE 48 2HD PHE 48 -5.589 7.711 5.410 296 HE1 PHE 48 1HE PHE 48 -7.763 3.764 7.381 297 HE2 PHE 48 2HE PHE 48 -5.926 7.584 7.843 298 HZ PHE 48 HZ PHE 48 -7.016 5.609 8.832 299 H LEU 49 H LEU 49 -5.521 5.472 0.556 300 HA LEU 49 HA LEU 49 -7.014 3.098 0.016 301 HB2 LEU 49 2HB LEU 49 -6.938 3.807 -2.327 302 HB3 LEU 49 1HB LEU 49 -7.436 5.108 -1.264 303 HG LEU 49 HG LEU 49 -4.984 5.875 -1.362 304 HD11 LEU 49 1HD1 LEU 49 -4.413 5.025 -3.954 305 HD12 LEU 49 2HD1 LEU 49 -4.897 3.566 -3.086 306 HD13 LEU 49 3HD1 LEU 49 -3.578 4.563 -2.471 307 HD21 LEU 49 3HD2 LEU 49 -5.438 6.850 -3.724 308 HD22 LEU 49 1HD2 LEU 49 -6.501 7.283 -2.387 309 HD23 LEU 49 2HD2 LEU 49 -7.005 6.061 -3.554 310 H ARG 50 H ARG 50 -3.665 4.055 -0.309 311 HA ARG 50 HA ARG 50 -2.833 1.895 -1.943 312 HB2 ARG 50 2HB ARG 50 -1.534 3.997 -1.595 313 HB3 ARG 50 1HB ARG 50 -1.182 3.464 0.044 314 HG2 ARG 50 2HG ARG 50 -0.145 1.403 -0.994 315 HG3 ARG 50 1HG ARG 50 -0.268 2.242 -2.541 316 HD2 ARG 50 2HD ARG 50 0.927 4.172 -1.211 317 HD3 ARG 50 1HD ARG 50 1.447 2.840 -0.179 318 HE ARG 50 HE ARG 50 1.896 2.400 -2.990 319 HH11 ARG 50 1HH1 ARG 50 3.212 3.728 -0.042 320 HH12 ARG 50 2HH1 ARG 50 4.854 3.612 -0.578 321 HH21 ARG 50 1HH2 ARG 50 4.056 2.248 -3.695 322 HH22 ARG 50 2HH2 ARG 50 5.334 2.774 -2.650 323 H GLU 51 H GLU 51 -3.197 2.327 1.519 324 HA GLU 51 HA GLU 51 -1.859 -0.089 2.248 325 HB2 GLU 51 2HB GLU 51 -3.475 1.979 3.637 326 HB3 GLU 51 1HB GLU 51 -3.389 0.396 4.399 327 HG2 GLU 51 2HG GLU 51 -0.945 1.913 3.544 328 HG3 GLU 51 1HG GLU 51 -1.684 2.106 5.132 329 H SER 52 H SER 52 -5.167 0.794 1.497 330 HA SER 52 HA SER 52 -6.036 -1.955 2.055 331 HB2 SER 52 2HB SER 52 -7.962 0.213 1.330 332 HB3 SER 52 1HB SER 52 -8.178 -1.164 2.409 333 HG SER 52 HG SER 52 -7.231 1.355 2.938 334 H ALA 53 H ALA 53 -4.449 -1.493 -0.219 335 HA ALA 53 HA ALA 53 -6.372 -2.198 -2.320 336 HB1 ALA 53 3HB ALA 53 -5.986 -0.043 -3.021 337 HB2 ALA 53 1HB ALA 53 -4.717 -0.910 -3.886 338 HB3 ALA 53 2HB ALA 53 -4.332 -0.025 -2.409 339 H CYS 54 H CYS 54 -5.824 -3.992 -3.388 340 HA CYS 54 HA CYS 54 -3.567 -5.514 -2.648 341 HB2 CYS 54 2HB CYS 54 -5.612 -5.766 -4.841 342 HB3 CYS 54 1HB CYS 54 -4.256 -6.884 -4.734 343 H GLY 55 H GLY 55 -1.823 -4.015 -3.003 344 HA2 GLY 55 2HA GLY 55 0.069 -3.449 -4.189 345 HA3 GLY 55 1HA GLY 55 -0.534 -4.428 -5.518 346 H PHE 56 H PHE 56 0.774 -2.107 -6.070 347 HA PHE 56 HA PHE 56 -1.409 -0.371 -7.016 348 HB2 PHE 56 2HB PHE 56 0.340 0.445 -5.148 349 HB3 PHE 56 1HB PHE 56 1.270 0.839 -6.590 350 HD1 PHE 56 2HD PHE 56 -1.722 1.598 -4.634 351 HD2 PHE 56 1HD PHE 56 0.530 2.559 -8.116 352 HE1 PHE 56 2HE PHE 56 -3.008 3.680 -4.887 353 HE2 PHE 56 1HE PHE 56 -0.753 4.643 -8.373 354 HZ PHE 56 HZ PHE 56 -2.524 5.205 -6.757 355 H ASP 57 H ASP 57 -1.457 -1.426 -9.019 356 HA ASP 57 HA ASP 57 0.949 -1.599 -10.614 357 HB2 ASP 57 2HB ASP 57 -1.316 -3.089 -10.559 358 HB3 ASP 57 1HB ASP 57 -1.674 -2.021 -11.913 359 H GLY 58 H GLY 58 -2.174 0.106 -10.879 360 HA2 GLY 58 2HA GLY 58 -1.804 2.572 -11.390 361 HA3 GLY 58 1HA GLY 58 -0.880 1.976 -12.760 362 H GLN 59 H GLN 59 -2.093 0.516 -14.271 363 HA GLN 59 HA GLN 59 -4.520 1.817 -15.048 364 HB2 GLN 59 2HB GLN 59 -2.598 0.029 -16.240 365 HB3 GLN 59 1HB GLN 59 -4.230 -0.542 -16.557 366 HG2 GLN 59 2HG GLN 59 -4.779 1.754 -17.382 367 HG3 GLN 59 1HG GLN 59 -3.064 2.142 -17.245 368 HE21 GLN 59 1HE2 GLN 59 -2.990 2.534 -19.485 369 HE22 GLN 59 2HE2 GLN 59 -2.953 1.235 -20.623 370 H THR 60 H THR 60 -3.748 -0.956 -13.156 371 HA THR 60 HA THR 60 -6.527 -1.902 -13.312 372 HB THR 60 HB THR 60 -4.457 -3.477 -11.870 373 HG1 THR 60 1HG THR 60 -4.547 -3.203 -14.689 374 HG21 THR 60 3HG2 THR 60 -6.958 -3.983 -13.317 375 HG22 THR 60 1HG2 THR 60 -6.252 -4.811 -11.929 376 HG23 THR 60 2HG2 THR 60 -5.684 -5.178 -13.557 377 HA PRO 61 HA PRO 61 -6.389 0.223 -9.231 378 HB2 PRO 61 2HB PRO 61 -8.950 1.086 -9.296 379 HB3 PRO 61 1HB PRO 61 -7.637 1.955 -10.097 380 HG2 PRO 61 2HG PRO 61 -9.655 0.076 -11.265 381 HG3 PRO 61 1HG PRO 61 -9.069 1.625 -11.900 382 HD2 PRO 61 2HD PRO 61 -8.158 -0.773 -12.793 383 HD3 PRO 61 1HD PRO 61 -7.153 0.689 -12.763 384 H LYS 62 H LYS 62 -6.685 -0.944 -7.443 385 HA LYS 62 HA LYS 62 -9.055 -2.655 -7.222 386 HB2 LYS 62 2HB LYS 62 -6.199 -3.502 -7.079 387 HB3 LYS 62 1HB LYS 62 -7.345 -4.268 -5.987 388 HG2 LYS 62 2HG LYS 62 -7.752 -5.692 -7.640 389 HG3 LYS 62 1HG LYS 62 -8.635 -4.374 -8.413 390 HD2 LYS 62 2HD LYS 62 -7.129 -4.232 -10.050 391 HD3 LYS 62 1HD LYS 62 -5.796 -4.147 -8.898 392 HE2 LYS 62 2HE LYS 62 -7.154 -6.691 -9.780 393 HE3 LYS 62 1HE LYS 62 -5.639 -6.078 -10.445 394 HZ1 LYS 62 3HZ LYS 62 -5.383 -7.795 -8.684 395 HZ2 LYS 62 1HZ LYS 62 -6.035 -6.700 -7.571 396 HZ3 LYS 62 2HZ LYS 62 -4.578 -6.345 -8.353 397 H VAL 63 H VAL 63 -9.543 -3.291 -5.006 398 HA VAL 63 HA VAL 63 -8.231 -1.759 -2.903 399 HB VAL 63 HB VAL 63 -11.219 -1.571 -3.290 400 HG11 VAL 63 1HG1 VAL 63 -9.289 -0.282 -1.371 401 HG12 VAL 63 2HG1 VAL 63 -10.640 -1.351 -0.995 402 HG13 VAL 63 3HG1 VAL 63 -10.947 0.274 -1.604 403 HG21 VAL 63 3HG2 VAL 63 -10.680 0.862 -3.806 404 HG22 VAL 63 1HG2 VAL 63 -10.329 -0.315 -5.071 405 HG23 VAL 63 2HG2 VAL 63 -9.022 0.325 -4.075 406 H CYS 64 H CYS 64 -8.818 -2.462 -0.754 407 HA CYS 64 HA CYS 64 -9.725 -5.258 -0.742 408 HB2 CYS 64 2HB CYS 64 -7.748 -3.720 0.854 409 HB3 CYS 64 1HB CYS 64 -8.648 -4.974 1.700 410 H CYS 65 H CYS 65 -11.629 -5.735 0.103 411 HA CYS 65 HA CYS 65 -12.845 -3.848 2.009 412 HB2 CYS 65 2HB CYS 65 -13.908 -5.084 -0.446 413 HB3 CYS 65 1HB CYS 65 -14.991 -5.151 0.940 414 HA PRO 66 HA PRO 66 -12.702 -7.614 4.488 415 HB2 PRO 66 2HB PRO 66 -13.262 -6.475 6.856 416 HB3 PRO 66 1HB PRO 66 -11.680 -6.292 6.088 417 HG2 PRO 66 2HG PRO 66 -13.989 -4.386 6.145 418 HG3 PRO 66 1HG PRO 66 -12.261 -4.056 6.365 419 HD2 PRO 66 2HD PRO 66 -13.591 -3.644 4.012 420 HD3 PRO 66 1HD PRO 66 -11.857 -4.011 4.108 Start of MODEL 13 1 H GLN 11 H GLN 11 -10.544 -10.801 -5.527 2 HA GLN 11 HA GLN 11 -10.308 -13.565 -4.589 3 HB2 GLN 11 2HB GLN 11 -8.697 -11.668 -5.994 4 HB3 GLN 11 1HB GLN 11 -7.947 -11.972 -4.433 5 HG2 GLN 11 2HG GLN 11 -7.699 -14.259 -4.869 6 HG3 GLN 11 1HG GLN 11 -8.825 -14.207 -6.224 7 HE21 GLN 11 1HE2 GLN 11 -5.973 -15.067 -5.957 8 HE22 GLN 11 2HE2 GLN 11 -5.138 -14.211 -7.204 9 H ALA 12 H ALA 12 -9.301 -13.881 -2.520 10 HA ALA 12 HA ALA 12 -10.285 -12.004 -0.537 11 HB1 ALA 12 3HB ALA 12 -8.929 -14.676 -0.188 12 HB2 ALA 12 1HB ALA 12 -10.670 -14.392 -0.216 13 HB3 ALA 12 2HB ALA 12 -9.688 -13.725 1.090 14 H CYS 13 H CYS 13 -9.086 -10.448 0.314 15 HA CYS 13 HA CYS 13 -6.152 -10.724 0.227 16 HB2 CYS 13 2HB CYS 13 -6.084 -8.238 0.221 17 HB3 CYS 13 1HB CYS 13 -6.883 -8.908 -1.196 18 H THR 14 H THR 14 -5.024 -9.415 1.951 19 HA THR 14 HA THR 14 -6.421 -9.831 4.502 20 HB THR 14 HB THR 14 -4.330 -11.094 4.195 21 HG1 THR 14 1HG THR 14 -3.342 -10.382 6.134 22 HG21 THR 14 3HG2 THR 14 -3.193 -9.379 2.755 23 HG22 THR 14 1HG2 THR 14 -2.204 -10.095 4.027 24 HG23 THR 14 2HG2 THR 14 -2.868 -8.475 4.234 25 H LEU 15 H LEU 15 -7.226 -8.076 5.407 26 HA LEU 15 HA LEU 15 -6.626 -5.442 4.611 27 HB2 LEU 15 2HB LEU 15 -7.823 -4.883 6.837 28 HB3 LEU 15 1HB LEU 15 -8.728 -5.661 5.553 29 HG LEU 15 HG LEU 15 -7.480 -7.510 7.474 30 HD11 LEU 15 1HD1 LEU 15 -8.096 -6.325 9.279 31 HD12 LEU 15 2HD1 LEU 15 -9.710 -6.919 8.886 32 HD13 LEU 15 3HD1 LEU 15 -9.212 -5.311 8.363 33 HD21 LEU 15 3HD2 LEU 15 -9.109 -8.851 6.751 34 HD22 LEU 15 1HD2 LEU 15 -9.432 -7.619 5.532 35 HD23 LEU 15 2HD2 LEU 15 -10.353 -7.633 7.035 36 HA PRO 16 HA PRO 16 -3.101 -4.045 6.837 37 HB2 PRO 16 2HB PRO 16 -4.212 -2.000 8.412 38 HB3 PRO 16 1HB PRO 16 -3.546 -1.823 6.788 39 HG2 PRO 16 2HG PRO 16 -6.381 -2.126 7.653 40 HG3 PRO 16 1HG PRO 16 -5.705 -1.170 6.320 41 HD2 PRO 16 2HD PRO 16 -6.978 -3.474 5.859 42 HD3 PRO 16 1HD PRO 16 -5.544 -3.017 4.916 43 H ASN 17 H ASN 17 -6.008 -4.776 8.634 44 HA ASN 17 HA ASN 17 -4.617 -4.984 11.164 45 HB2 ASN 17 2HB ASN 17 -7.345 -4.775 10.312 46 HB3 ASN 17 1HB ASN 17 -7.174 -6.204 11.328 47 HD21 ASN 17 1HD2 ASN 17 -7.849 -5.702 13.280 48 HD22 ASN 17 2HD2 ASN 17 -7.424 -4.283 14.169 49 H ASN 18 H ASN 18 -5.148 -6.985 8.478 50 HA ASN 18 HA ASN 18 -4.661 -9.157 8.037 51 HB2 ASN 18 2HB ASN 18 -3.117 -8.633 10.525 52 HB3 ASN 18 1HB ASN 18 -3.331 -10.313 10.050 53 HD21 ASN 18 1HD2 ASN 18 -0.849 -9.576 10.091 54 HD22 ASN 18 2HD2 ASN 18 -0.215 -9.264 8.514 55 H ASP 19 H ASP 19 -6.906 -9.646 8.107 56 HA ASP 19 HA ASP 19 -7.539 -11.657 10.078 57 HB2 ASP 19 2HB ASP 19 -8.832 -8.980 10.074 58 HB3 ASP 19 1HB ASP 19 -9.880 -10.376 10.312 59 H LYS 20 H LYS 20 -7.157 -11.369 7.148 60 HA LYS 20 HA LYS 20 -8.016 -12.251 5.238 61 HB2 LYS 20 2HB LYS 20 -10.103 -13.466 7.056 62 HB3 LYS 20 1HB LYS 20 -9.730 -13.975 5.415 63 HG2 LYS 20 2HG LYS 20 -7.897 -15.124 6.040 64 HG3 LYS 20 1HG LYS 20 -7.466 -13.965 7.300 65 HD2 LYS 20 2HD LYS 20 -9.938 -15.471 7.802 66 HD3 LYS 20 1HD LYS 20 -8.472 -16.451 7.759 67 HE2 LYS 20 2HE LYS 20 -8.006 -14.046 9.259 68 HE3 LYS 20 1HE LYS 20 -9.434 -14.875 9.878 69 HZ1 LYS 20 3HZ LYS 20 -6.649 -15.810 9.769 70 HZ2 LYS 20 1HZ LYS 20 -7.904 -16.945 9.754 71 HZ3 LYS 20 2HZ LYS 20 -7.749 -15.871 11.052 72 H GLY 21 H GLY 21 -9.342 -11.548 3.629 73 HA2 GLY 21 2HA GLY 21 -11.942 -10.450 4.144 74 HA3 GLY 21 1HA GLY 21 -10.742 -9.206 3.827 75 H THR 22 H THR 22 -12.050 -8.664 1.975 76 HA THR 22 HA THR 22 -11.520 -10.445 -0.314 77 HB THR 22 HB THR 22 -13.897 -8.606 -0.195 78 HG1 THR 22 1HG THR 22 -14.806 -9.877 1.177 79 HG21 THR 22 3HG2 THR 22 -14.602 -10.890 -1.535 80 HG22 THR 22 1HG2 THR 22 -12.926 -10.643 -2.022 81 HG23 THR 22 2HG2 THR 22 -14.113 -9.364 -2.270 82 H CYS 23 H CYS 23 -10.945 -9.466 -2.261 83 HA CYS 23 HA CYS 23 -10.304 -6.595 -2.063 84 HB2 CYS 23 2HB CYS 23 -8.485 -8.616 -2.299 85 HB3 CYS 23 1HB CYS 23 -8.746 -8.192 -3.987 86 H LYS 24 H LYS 24 -11.346 -5.348 -3.438 87 HA LYS 24 HA LYS 24 -11.927 -6.299 -6.131 88 HB2 LYS 24 2HB LYS 24 -14.280 -5.142 -5.762 89 HB3 LYS 24 1HB LYS 24 -14.024 -6.840 -5.384 90 HG2 LYS 24 2HG LYS 24 -15.214 -5.955 -3.567 91 HG3 LYS 24 1HG LYS 24 -13.545 -6.095 -3.009 92 HD2 LYS 24 2HD LYS 24 -13.762 -3.549 -4.168 93 HD3 LYS 24 1HD LYS 24 -15.220 -3.764 -3.197 94 HE2 LYS 24 2HE LYS 24 -14.058 -3.901 -1.233 95 HE3 LYS 24 1HE LYS 24 -12.610 -4.543 -2.008 96 HZ1 LYS 24 3HZ LYS 24 -12.361 -2.262 -3.021 97 HZ2 LYS 24 1HZ LYS 24 -12.081 -2.369 -1.356 98 HZ3 LYS 24 2HZ LYS 24 -13.540 -1.735 -1.929 99 H SER 25 H SER 25 -12.857 -4.453 -7.482 100 HA SER 25 HA SER 25 -11.076 -2.319 -7.499 101 HB2 SER 25 2HB SER 25 -12.520 -3.112 -9.418 102 HB3 SER 25 1HB SER 25 -13.859 -2.237 -8.674 103 HG SER 25 HG SER 25 -11.391 -1.003 -9.301 104 H LEU 26 H LEU 26 -12.195 0.058 -7.674 105 HA LEU 26 HA LEU 26 -13.096 0.577 -4.945 106 HB2 LEU 26 2HB LEU 26 -12.466 2.859 -5.318 107 HB3 LEU 26 1HB LEU 26 -11.163 1.821 -5.864 108 HG LEU 26 HG LEU 26 -12.806 2.289 -8.114 109 HD11 LEU 26 1HD1 LEU 26 -13.182 4.547 -8.259 110 HD12 LEU 26 2HD1 LEU 26 -11.969 4.938 -7.041 111 HD13 LEU 26 3HD1 LEU 26 -13.521 4.260 -6.551 112 HD21 LEU 26 3HD2 LEU 26 -10.714 3.694 -8.743 113 HD22 LEU 26 1HD2 LEU 26 -10.554 1.954 -8.504 114 HD23 LEU 26 2HD2 LEU 26 -10.060 3.070 -7.228 115 H LEU 27 H LEU 27 -14.990 -0.594 -6.691 116 HA LEU 27 HA LEU 27 -17.068 1.424 -6.533 117 HB2 LEU 27 2HB LEU 27 -16.327 0.059 -9.120 118 HB3 LEU 27 1HB LEU 27 -17.845 0.898 -8.862 119 HG LEU 27 HG LEU 27 -15.179 2.265 -8.561 120 HD11 LEU 27 1HD1 LEU 27 -15.133 1.575 -10.799 121 HD12 LEU 27 2HD1 LEU 27 -15.765 3.221 -10.848 122 HD13 LEU 27 3HD1 LEU 27 -16.861 1.849 -11.009 123 HD21 LEU 27 3HD2 LEU 27 -16.897 4.171 -9.279 124 HD22 LEU 27 1HD2 LEU 27 -16.646 3.703 -7.598 125 HD23 LEU 27 2HD2 LEU 27 -18.027 3.070 -8.492 126 H GLN 28 H GLN 28 -16.405 -1.102 -5.203 127 HA GLN 28 HA GLN 28 -18.863 -2.585 -5.856 128 HB2 GLN 28 2HB GLN 28 -16.238 -3.752 -4.914 129 HB3 GLN 28 1HB GLN 28 -17.721 -4.658 -5.184 130 HG2 GLN 28 2HG GLN 28 -17.409 -3.434 -7.583 131 HG3 GLN 28 1HG GLN 28 -15.732 -3.670 -7.094 132 HE21 GLN 28 1HE2 GLN 28 -18.687 -5.591 -6.684 133 HE22 GLN 28 2HE2 GLN 28 -18.053 -7.036 -7.388 134 H CYS 29 H CYS 29 -16.460 -1.937 -3.313 135 HA CYS 29 HA CYS 29 -18.171 -2.817 -1.204 136 HB2 CYS 29 2HB CYS 29 -15.456 -2.104 -1.466 137 HB3 CYS 29 1HB CYS 29 -16.137 -0.989 -0.286 138 H ASP 30 H ASP 30 -19.757 -1.760 -0.227 139 HA ASP 30 HA ASP 30 -20.687 0.735 -1.068 140 HB2 ASP 30 2HB ASP 30 -21.406 -1.235 0.950 141 HB3 ASP 30 1HB ASP 30 -21.709 0.410 1.502 142 H VAL 31 H VAL 31 -18.429 -0.135 1.450 143 HA VAL 31 HA VAL 31 -18.471 2.323 2.853 144 HB VAL 31 HB VAL 31 -16.158 0.391 2.656 145 HG11 VAL 31 1HG1 VAL 31 -15.273 1.382 4.546 146 HG12 VAL 31 2HG1 VAL 31 -16.819 2.076 5.034 147 HG13 VAL 31 3HG1 VAL 31 -15.928 2.773 3.682 148 HG21 VAL 31 3HG2 VAL 31 -18.427 0.402 4.645 149 HG22 VAL 31 1HG2 VAL 31 -17.062 -0.714 4.611 150 HG23 VAL 31 2HG2 VAL 31 -18.253 -0.740 3.311 151 H ALA 32 H ALA 32 -16.478 1.103 0.205 152 HA ALA 32 HA ALA 32 -14.725 3.313 0.074 153 HB1 ALA 32 3HB ALA 32 -13.799 2.294 -1.743 154 HB2 ALA 32 1HB ALA 32 -15.360 1.799 -2.400 155 HB3 ALA 32 2HB ALA 32 -14.651 0.916 -1.047 156 H SER 33 H SER 33 -17.831 2.637 -1.420 157 HA SER 33 HA SER 33 -17.814 4.819 -3.223 158 HB2 SER 33 2HB SER 33 -19.296 2.874 -3.507 159 HB3 SER 33 1HB SER 33 -20.175 3.332 -2.050 160 HG SER 33 HG SER 33 -21.212 4.077 -3.948 161 H LYS 34 H LYS 34 -18.883 4.461 0.111 162 HA LYS 34 HA LYS 34 -20.247 6.950 0.236 163 HB2 LYS 34 2HB LYS 34 -20.378 6.600 2.605 164 HB3 LYS 34 1HB LYS 34 -20.637 5.056 1.809 165 HG2 LYS 34 2HG LYS 34 -18.720 4.158 2.610 166 HG3 LYS 34 1HG LYS 34 -17.873 5.703 2.649 167 HD2 LYS 34 2HD LYS 34 -18.707 6.263 4.710 168 HD3 LYS 34 1HD LYS 34 -20.170 5.298 4.497 169 HE2 LYS 34 2HE LYS 34 -19.153 3.355 5.161 170 HE3 LYS 34 1HE LYS 34 -17.554 3.887 4.638 171 HZ1 LYS 34 3HZ LYS 34 -17.233 4.179 6.823 172 HZ2 LYS 34 1HZ LYS 34 -18.885 4.255 7.182 173 HZ3 LYS 34 2HZ LYS 34 -18.081 5.627 6.602 174 H ILE 35 H ILE 35 -16.921 5.980 0.753 175 HA ILE 35 HA ILE 35 -16.095 8.394 2.022 176 HB ILE 35 HB ILE 35 -14.412 6.392 0.506 177 HG12 ILE 35 2HG1 ILE 35 -14.686 6.556 3.496 178 HG13 ILE 35 1HG1 ILE 35 -15.839 5.629 2.540 179 HG21 ILE 35 1HG2 ILE 35 -13.787 8.828 2.045 180 HG22 ILE 35 2HG2 ILE 35 -12.899 8.050 0.733 181 HG23 ILE 35 3HG2 ILE 35 -12.775 7.422 2.377 182 HD11 ILE 35 3HD1 ILE 35 -14.163 4.146 1.791 183 HD12 ILE 35 1HD1 ILE 35 -13.925 4.337 3.528 184 HD13 ILE 35 2HD1 ILE 35 -12.874 5.187 2.396 185 H ILE 36 H ILE 36 -16.228 7.282 -1.309 186 HA ILE 36 HA ILE 36 -14.809 9.524 -2.385 187 HB ILE 36 HB ILE 36 -16.641 7.596 -3.814 188 HG12 ILE 36 2HG1 ILE 36 -14.685 6.592 -2.530 189 HG13 ILE 36 1HG1 ILE 36 -14.754 6.226 -4.250 190 HG21 ILE 36 1HG2 ILE 36 -14.933 8.287 -5.699 191 HG22 ILE 36 2HG2 ILE 36 -14.794 9.745 -4.715 192 HG23 ILE 36 3HG2 ILE 36 -16.363 9.260 -5.356 193 HD11 ILE 36 3HD1 ILE 36 -12.489 6.784 -3.342 194 HD12 ILE 36 1HD1 ILE 36 -13.069 8.431 -3.099 195 HD13 ILE 36 2HD1 ILE 36 -13.005 7.749 -4.726 196 H SER 37 H SER 37 -18.125 8.838 -1.590 197 HA SER 37 HA SER 37 -19.006 11.273 -2.970 198 HB2 SER 37 2HB SER 37 -20.153 8.827 -3.001 199 HB3 SER 37 1HB SER 37 -21.009 9.547 -1.638 200 HG SER 37 HG SER 37 -21.765 9.850 -3.986 201 H LYS 38 H LYS 38 -17.856 10.460 -0.009 202 HA LYS 38 HA LYS 38 -19.769 11.876 1.618 203 HB2 LYS 38 2HB LYS 38 -17.352 10.271 2.066 204 HB3 LYS 38 1HB LYS 38 -17.525 11.625 3.175 205 HG2 LYS 38 2HG LYS 38 -19.940 9.992 2.762 206 HG3 LYS 38 1HG LYS 38 -18.598 9.200 3.590 207 HD2 LYS 38 2HD LYS 38 -20.096 10.259 5.193 208 HD3 LYS 38 1HD LYS 38 -18.515 11.045 5.204 209 HE2 LYS 38 2HE LYS 38 -19.310 12.970 4.259 210 HE3 LYS 38 1HE LYS 38 -20.614 12.142 3.408 211 HZ1 LYS 38 3HZ LYS 38 -20.504 12.952 6.249 212 HZ2 LYS 38 1HZ LYS 38 -21.600 11.783 5.705 213 HZ3 LYS 38 2HZ LYS 38 -21.663 13.354 5.083 214 H LYS 39 H LYS 39 -16.276 12.419 1.604 215 HA LYS 39 HA LYS 39 -16.197 14.936 0.451 216 HB2 LYS 39 2HB LYS 39 -17.562 15.066 2.879 217 HB3 LYS 39 1HB LYS 39 -15.946 15.646 3.259 218 HG2 LYS 39 2HG LYS 39 -16.536 16.953 0.913 219 HG3 LYS 39 1HG LYS 39 -18.085 16.919 1.759 220 HD2 LYS 39 2HD LYS 39 -17.054 18.897 2.485 221 HD3 LYS 39 1HD LYS 39 -16.791 17.750 3.799 222 HE2 LYS 39 2HE LYS 39 -14.686 17.715 1.773 223 HE3 LYS 39 1HE LYS 39 -14.854 19.269 2.588 224 HZ1 LYS 39 3HZ LYS 39 -14.943 17.644 4.672 225 HZ2 LYS 39 1HZ LYS 39 -13.493 18.263 4.059 226 HZ3 LYS 39 2HZ LYS 39 -13.986 16.700 3.646 227 HA PRO 40 HA PRO 40 -12.340 14.337 3.523 228 HB2 PRO 40 2HB PRO 40 -12.872 11.436 3.984 229 HB3 PRO 40 1HB PRO 40 -12.126 12.627 5.056 230 HG2 PRO 40 2HG PRO 40 -14.633 11.843 5.455 231 HG3 PRO 40 1HG PRO 40 -14.167 13.539 5.682 232 HD2 PRO 40 2HD PRO 40 -15.683 12.270 3.450 233 HD3 PRO 40 1HD PRO 40 -15.859 13.887 4.161 234 H ARG 41 H ARG 41 -11.070 14.552 1.753 235 HA ARG 41 HA ARG 41 -10.092 12.127 0.506 236 HB2 ARG 41 2HB ARG 41 -11.995 12.714 -0.926 237 HB3 ARG 41 1HB ARG 41 -11.345 14.333 -1.142 238 HG2 ARG 41 2HG ARG 41 -9.511 13.530 -2.403 239 HG3 ARG 41 1HG ARG 41 -9.858 11.857 -1.966 240 HD2 ARG 41 2HD ARG 41 -11.401 11.637 -3.577 241 HD3 ARG 41 1HD ARG 41 -12.095 13.225 -3.256 242 HE ARG 41 HE ARG 41 -9.780 13.826 -4.498 243 HH11 ARG 41 1HH1 ARG 41 -12.396 11.657 -5.299 244 HH12 ARG 41 2HH1 ARG 41 -12.176 11.823 -7.008 245 HH21 ARG 41 1HH2 ARG 41 -9.490 14.045 -6.747 246 HH22 ARG 41 2HH2 ARG 41 -10.526 13.176 -7.831 247 H THR 42 H THR 42 -8.391 13.115 1.967 248 HA THR 42 HA THR 42 -6.883 15.212 0.554 249 HB THR 42 HB THR 42 -5.639 15.255 2.857 250 HG1 THR 42 1HG THR 42 -6.876 13.373 3.584 251 HG21 THR 42 3HG2 THR 42 -6.708 17.156 3.254 252 HG22 THR 42 1HG2 THR 42 -8.264 16.343 3.414 253 HG23 THR 42 2HG2 THR 42 -7.665 16.792 1.817 254 H ALA 43 H ALA 43 -4.391 14.933 1.378 255 HA ALA 43 HA ALA 43 -3.324 12.868 -0.139 256 HB1 ALA 43 3HB ALA 43 -1.666 13.774 2.123 257 HB2 ALA 43 1HB ALA 43 -2.291 15.045 1.071 258 HB3 ALA 43 2HB ALA 43 -1.314 13.742 0.394 259 H GLN 44 H GLN 44 -4.246 12.931 3.238 260 HA GLN 44 HA GLN 44 -2.940 10.569 4.052 261 HB2 GLN 44 2HB GLN 44 -4.256 12.471 5.383 262 HB3 GLN 44 1HB GLN 44 -5.555 11.292 5.273 263 HG2 GLN 44 2HG GLN 44 -3.886 9.617 6.221 264 HG3 GLN 44 1HG GLN 44 -2.894 11.019 6.622 265 HE21 GLN 44 1HE2 GLN 44 -6.139 9.679 7.035 266 HE22 GLN 44 2HE2 GLN 44 -6.411 10.353 8.602 267 H ASP 45 H ASP 45 -5.955 11.169 2.400 268 HA ASP 45 HA ASP 45 -7.068 8.578 2.763 269 HB2 ASP 45 2HB ASP 45 -7.774 11.029 1.385 270 HB3 ASP 45 1HB ASP 45 -8.121 9.621 0.385 271 H GLU 46 H GLU 46 -4.973 10.037 0.355 272 HA GLU 46 HA GLU 46 -5.110 7.959 -1.551 273 HB2 GLU 46 2HB GLU 46 -4.122 10.397 -1.695 274 HB3 GLU 46 1HB GLU 46 -2.632 9.597 -1.215 275 HG2 GLU 46 2HG GLU 46 -2.387 8.552 -3.202 276 HG3 GLU 46 1HG GLU 46 -4.123 8.366 -3.444 277 H LYS 47 H LYS 47 -2.928 8.572 1.158 278 HA LYS 47 HA LYS 47 -1.222 6.363 0.641 279 HB2 LYS 47 2HB LYS 47 -0.408 6.715 2.942 280 HB3 LYS 47 1HB LYS 47 -0.478 8.217 2.031 281 HG2 LYS 47 2HG LYS 47 -2.428 8.922 3.179 282 HG3 LYS 47 1HG LYS 47 -2.639 7.336 3.924 283 HD2 LYS 47 2HD LYS 47 -1.711 8.723 5.598 284 HD3 LYS 47 1HD LYS 47 -0.389 7.705 5.025 285 HE2 LYS 47 2HE LYS 47 0.269 9.581 3.499 286 HE3 LYS 47 1HE LYS 47 -0.929 10.582 4.317 287 HZ1 LYS 47 3HZ LYS 47 1.064 9.189 5.950 288 HZ2 LYS 47 1HZ LYS 47 0.307 10.679 6.212 289 HZ3 LYS 47 2HZ LYS 47 1.558 10.554 5.082 290 H PHE 48 H PHE 48 -4.135 6.807 2.547 291 HA PHE 48 HA PHE 48 -4.074 4.293 3.844 292 HB2 PHE 48 2HB PHE 48 -5.678 6.580 3.945 293 HB3 PHE 48 1HB PHE 48 -6.762 5.294 3.424 294 HD1 PHE 48 2HD PHE 48 -5.923 2.967 4.837 295 HD2 PHE 48 1HD PHE 48 -6.001 7.007 6.172 296 HE1 PHE 48 2HE PHE 48 -6.116 2.190 7.163 297 HE2 PHE 48 1HE PHE 48 -6.194 6.238 8.500 298 HZ PHE 48 HZ PHE 48 -6.252 3.826 8.999 299 H LEU 49 H LEU 49 -5.571 5.424 0.849 300 HA LEU 49 HA LEU 49 -6.918 2.975 0.314 301 HB2 LEU 49 2HB LEU 49 -7.678 3.960 -1.606 302 HB3 LEU 49 1HB LEU 49 -7.288 5.382 -0.663 303 HG LEU 49 HG LEU 49 -4.976 5.199 -1.912 304 HD11 LEU 49 1HD1 LEU 49 -6.763 3.382 -3.408 305 HD12 LEU 49 2HD1 LEU 49 -5.008 3.368 -3.240 306 HD13 LEU 49 3HD1 LEU 49 -5.778 4.492 -4.360 307 HD21 LEU 49 3HD2 LEU 49 -7.318 6.158 -3.517 308 HD22 LEU 49 1HD2 LEU 49 -5.706 6.857 -3.380 309 HD23 LEU 49 2HD2 LEU 49 -6.833 6.969 -2.029 310 H ARG 50 H ARG 50 -3.791 4.311 -0.575 311 HA ARG 50 HA ARG 50 -3.076 2.285 -2.419 312 HB2 ARG 50 2HB ARG 50 -1.543 4.345 -0.867 313 HB3 ARG 50 1HB ARG 50 -0.688 3.113 -1.786 314 HG2 ARG 50 2HG ARG 50 -2.354 3.947 -3.687 315 HG3 ARG 50 1HG ARG 50 -2.273 5.425 -2.724 316 HD2 ARG 50 2HD ARG 50 -0.469 5.821 -4.028 317 HD3 ARG 50 1HD ARG 50 0.333 4.821 -2.818 318 HE ARG 50 HE ARG 50 -0.510 3.015 -4.642 319 HH11 ARG 50 1HH1 ARG 50 1.326 5.972 -4.897 320 HH12 ARG 50 2HH1 ARG 50 2.226 5.441 -6.278 321 HH21 ARG 50 1HH2 ARG 50 0.672 2.315 -6.458 322 HH22 ARG 50 2HH2 ARG 50 1.855 3.365 -7.165 323 H GLU 51 H GLU 51 -2.699 2.651 1.054 324 HA GLU 51 HA GLU 51 -1.016 0.369 1.392 325 HB2 GLU 51 2HB GLU 51 -1.596 2.476 2.964 326 HB3 GLU 51 1HB GLU 51 -2.695 1.290 3.655 327 HG2 GLU 51 2HG GLU 51 -0.842 -0.219 4.072 328 HG3 GLU 51 1HG GLU 51 0.274 0.922 3.324 329 H SER 52 H SER 52 -4.445 0.905 1.233 330 HA SER 52 HA SER 52 -5.009 -1.806 2.170 331 HB2 SER 52 2HB SER 52 -7.095 0.175 1.291 332 HB3 SER 52 1HB SER 52 -7.243 -1.147 2.450 333 HG SER 52 HG SER 52 -7.002 0.492 3.790 334 H ALA 53 H ALA 53 -3.622 -1.555 -0.281 335 HA ALA 53 HA ALA 53 -5.665 -2.550 -2.163 336 HB1 ALA 53 3HB ALA 53 -4.559 -1.550 -3.986 337 HB2 ALA 53 1HB ALA 53 -3.124 -1.192 -3.025 338 HB3 ALA 53 2HB ALA 53 -4.621 -0.304 -2.737 339 H CYS 54 H CYS 54 -5.353 -4.555 -2.911 340 HA CYS 54 HA CYS 54 -2.988 -6.004 -2.065 341 HB2 CYS 54 2HB CYS 54 -4.183 -7.985 -2.975 342 HB3 CYS 54 1HB CYS 54 -5.126 -7.101 -1.780 343 H GLY 55 H GLY 55 -1.509 -4.804 -3.452 344 HA2 GLY 55 2HA GLY 55 -0.027 -5.398 -5.244 345 HA3 GLY 55 1HA GLY 55 -1.410 -6.018 -6.132 346 H PHE 56 H PHE 56 0.028 -4.538 -7.655 347 HA PHE 56 HA PHE 56 -1.576 -2.213 -8.153 348 HB2 PHE 56 2HB PHE 56 1.240 -1.929 -7.139 349 HB3 PHE 56 1HB PHE 56 0.537 -0.717 -8.205 350 HD1 PHE 56 1HD PHE 56 -1.926 0.028 -7.432 351 HD2 PHE 56 2HD PHE 56 1.119 -1.521 -4.895 352 HE1 PHE 56 1HE PHE 56 -2.992 1.112 -5.496 353 HE2 PHE 56 2HE PHE 56 0.059 -0.441 -2.956 354 HZ PHE 56 HZ PHE 56 -1.999 0.877 -3.256 355 H ASP 57 H ASP 57 -1.940 -3.287 -10.121 356 HA ASP 57 HA ASP 57 0.083 -4.202 -11.847 357 HB2 ASP 57 2HB ASP 57 -2.599 -4.421 -11.857 358 HB3 ASP 57 1HB ASP 57 -2.412 -3.148 -13.060 359 H GLY 58 H GLY 58 -1.274 -1.040 -11.287 360 HA2 GLY 58 2HA GLY 58 0.330 0.788 -11.847 361 HA3 GLY 58 1HA GLY 58 0.461 0.031 -13.427 362 H GLN 59 H GLN 59 -2.252 -0.551 -13.870 363 HA GLN 59 HA GLN 59 -3.388 2.163 -14.047 364 HB2 GLN 59 2HB GLN 59 -2.807 0.234 -16.099 365 HB3 GLN 59 1HB GLN 59 -4.532 0.565 -16.069 366 HG2 GLN 59 2HG GLN 59 -2.653 2.863 -15.991 367 HG3 GLN 59 1HG GLN 59 -2.874 2.003 -17.514 368 HE21 GLN 59 1HE2 GLN 59 -3.996 3.488 -18.640 369 HE22 GLN 59 2HE2 GLN 59 -5.548 4.095 -18.185 370 H THR 60 H THR 60 -3.900 -1.081 -13.043 371 HA THR 60 HA THR 60 -6.792 -0.743 -12.893 372 HB THR 60 HB THR 60 -5.820 -2.887 -13.700 373 HG1 THR 60 1HG THR 60 -7.168 -4.189 -12.377 374 HG21 THR 60 3HG2 THR 60 -4.565 -4.306 -12.461 375 HG22 THR 60 1HG2 THR 60 -5.184 -3.698 -10.926 376 HG23 THR 60 2HG2 THR 60 -3.977 -2.774 -11.818 377 HA PRO 61 HA PRO 61 -6.063 0.531 -8.611 378 HB2 PRO 61 2HB PRO 61 -8.345 1.879 -8.272 379 HB3 PRO 61 1HB PRO 61 -7.032 2.539 -9.256 380 HG2 PRO 61 2HG PRO 61 -9.551 1.181 -10.124 381 HG3 PRO 61 1HG PRO 61 -8.755 2.608 -10.810 382 HD2 PRO 61 2HD PRO 61 -8.531 0.051 -11.825 383 HD3 PRO 61 1HD PRO 61 -7.347 1.345 -12.089 384 H LYS 62 H LYS 62 -6.418 -0.778 -6.920 385 HA LYS 62 HA LYS 62 -9.051 -2.032 -6.622 386 HB2 LYS 62 2HB LYS 62 -6.418 -3.412 -6.866 387 HB3 LYS 62 1HB LYS 62 -7.611 -4.083 -5.761 388 HG2 LYS 62 2HG LYS 62 -9.111 -3.677 -7.993 389 HG3 LYS 62 1HG LYS 62 -7.539 -4.082 -8.687 390 HD2 LYS 62 2HD LYS 62 -7.643 -6.224 -7.988 391 HD3 LYS 62 1HD LYS 62 -8.392 -5.791 -6.451 392 HE2 LYS 62 2HE LYS 62 -10.545 -5.556 -7.517 393 HE3 LYS 62 1HE LYS 62 -9.826 -5.841 -9.102 394 HZ1 LYS 62 3HZ LYS 62 -9.427 -7.895 -7.066 395 HZ2 LYS 62 1HZ LYS 62 -9.662 -8.056 -8.734 396 HZ3 LYS 62 2HZ LYS 62 -10.981 -7.752 -7.720 397 H VAL 63 H VAL 63 -9.539 -2.736 -4.470 398 HA VAL 63 HA VAL 63 -7.792 -1.665 -2.367 399 HB VAL 63 HB VAL 63 -10.783 -1.249 -2.379 400 HG11 VAL 63 1HG1 VAL 63 -10.176 0.384 -0.555 401 HG12 VAL 63 2HG1 VAL 63 -8.564 -0.334 -0.563 402 HG13 VAL 63 3HG1 VAL 63 -9.968 -1.321 -0.156 403 HG21 VAL 63 3HG2 VAL 63 -9.788 1.242 -2.545 404 HG22 VAL 63 1HG2 VAL 63 -10.295 0.302 -3.949 405 HG23 VAL 63 2HG2 VAL 63 -8.590 0.372 -3.504 406 H CYS 64 H CYS 64 -8.278 -2.536 -0.220 407 HA CYS 64 HA CYS 64 -9.317 -5.279 -0.413 408 HB2 CYS 64 2HB CYS 64 -6.909 -4.871 0.293 409 HB3 CYS 64 1HB CYS 64 -7.552 -4.167 1.770 410 H CYS 65 H CYS 65 -11.176 -5.749 0.552 411 HA CYS 65 HA CYS 65 -12.140 -3.954 2.679 412 HB2 CYS 65 2HB CYS 65 -13.429 -5.021 0.290 413 HB3 CYS 65 1HB CYS 65 -14.360 -5.335 1.750 414 HA PRO 66 HA PRO 66 -11.864 -7.550 5.290 415 HB2 PRO 66 2HB PRO 66 -13.212 -6.591 7.433 416 HB3 PRO 66 1HB PRO 66 -11.572 -6.069 7.029 417 HG2 PRO 66 2HG PRO 66 -14.183 -4.713 6.471 418 HG3 PRO 66 1HG PRO 66 -12.663 -4.014 7.060 419 HD2 PRO 66 2HD PRO 66 -13.444 -3.856 4.466 420 HD3 PRO 66 1HD PRO 66 -11.738 -3.936 4.952 Start of MODEL 14 1 H GLN 11 H GLN 11 -11.241 -12.040 -6.251 2 HA GLN 11 HA GLN 11 -10.906 -13.658 -4.468 3 HB2 GLN 11 2HB GLN 11 -9.222 -12.941 -6.216 4 HB3 GLN 11 1HB GLN 11 -8.531 -11.869 -5.004 5 HG2 GLN 11 2HG GLN 11 -7.197 -13.588 -4.532 6 HG3 GLN 11 1HG GLN 11 -8.589 -14.235 -3.668 7 HE21 GLN 11 1HE2 GLN 11 -10.201 -15.279 -5.391 8 HE22 GLN 11 2HE2 GLN 11 -9.446 -16.462 -6.398 9 H ALA 12 H ALA 12 -10.126 -14.095 -2.390 10 HA ALA 12 HA ALA 12 -10.677 -12.074 -0.446 11 HB1 ALA 12 3HB ALA 12 -9.593 -14.023 1.036 12 HB2 ALA 12 1HB ALA 12 -9.995 -14.948 -0.411 13 HB3 ALA 12 2HB ALA 12 -11.256 -14.069 0.453 14 H CYS 13 H CYS 13 -9.320 -10.572 0.267 15 HA CYS 13 HA CYS 13 -6.427 -11.109 0.094 16 HB2 CYS 13 2HB CYS 13 -6.052 -8.747 -0.251 17 HB3 CYS 13 1HB CYS 13 -7.221 -9.317 -1.435 18 H THR 14 H THR 14 -5.125 -9.790 1.676 19 HA THR 14 HA THR 14 -6.415 -9.977 4.301 20 HB THR 14 HB THR 14 -4.429 -11.308 4.131 21 HG1 THR 14 1HG THR 14 -3.734 -8.936 5.513 22 HG21 THR 14 3HG2 THR 14 -3.305 -10.239 2.272 23 HG22 THR 14 1HG2 THR 14 -2.227 -10.371 3.662 24 HG23 THR 14 2HG2 THR 14 -2.973 -8.822 3.268 25 H LEU 15 H LEU 15 -7.139 -8.160 5.161 26 HA LEU 15 HA LEU 15 -6.577 -5.588 4.186 27 HB2 LEU 15 2HB LEU 15 -7.590 -4.863 6.428 28 HB3 LEU 15 1HB LEU 15 -8.597 -5.788 5.330 29 HG LEU 15 HG LEU 15 -7.115 -7.414 7.283 30 HD11 LEU 15 1HD1 LEU 15 -7.790 -5.266 8.507 31 HD12 LEU 15 2HD1 LEU 15 -8.278 -6.809 9.208 32 HD13 LEU 15 3HD1 LEU 15 -9.446 -5.837 8.310 33 HD21 LEU 15 3HD2 LEU 15 -10.065 -7.444 6.964 34 HD22 LEU 15 1HD2 LEU 15 -8.926 -8.783 7.116 35 HD23 LEU 15 2HD2 LEU 15 -9.083 -7.930 5.580 36 HA PRO 16 HA PRO 16 -2.880 -4.073 6.023 37 HB2 PRO 16 2HB PRO 16 -4.499 -2.099 7.566 38 HB3 PRO 16 1HB PRO 16 -3.097 -1.834 6.524 39 HG2 PRO 16 2HG PRO 16 -5.543 -1.231 5.673 40 HG3 PRO 16 1HG PRO 16 -4.353 -1.958 4.577 41 HD2 PRO 16 2HD PRO 16 -6.714 -3.201 5.907 42 HD3 PRO 16 1HD PRO 16 -6.025 -3.519 4.303 43 H ASN 17 H ASN 17 -5.597 -4.708 8.140 44 HA ASN 17 HA ASN 17 -3.958 -4.840 10.518 45 HB2 ASN 17 2HB ASN 17 -6.577 -4.281 10.156 46 HB3 ASN 17 1HB ASN 17 -6.685 -5.992 10.559 47 HD21 ASN 17 1HD2 ASN 17 -7.879 -4.435 12.266 48 HD22 ASN 17 2HD2 ASN 17 -6.968 -4.217 13.718 49 H ASN 18 H ASN 18 -4.718 -6.934 7.970 50 HA ASN 18 HA ASN 18 -4.258 -9.119 7.568 51 HB2 ASN 18 2HB ASN 18 -2.505 -8.458 9.853 52 HB3 ASN 18 1HB ASN 18 -2.820 -10.174 9.618 53 HD21 ASN 18 1HD2 ASN 18 -1.908 -7.273 7.800 54 HD22 ASN 18 2HD2 ASN 18 -0.797 -8.073 6.747 55 H ASP 19 H ASP 19 -6.509 -9.565 7.821 56 HA ASP 19 HA ASP 19 -7.012 -11.529 9.877 57 HB2 ASP 19 2HB ASP 19 -8.708 -9.026 9.724 58 HB3 ASP 19 1HB ASP 19 -9.080 -10.448 10.695 59 H LYS 20 H LYS 20 -6.867 -11.317 6.925 60 HA LYS 20 HA LYS 20 -7.901 -12.214 5.110 61 HB2 LYS 20 2HB LYS 20 -9.969 -13.327 7.002 62 HB3 LYS 20 1HB LYS 20 -9.493 -13.959 5.432 63 HG2 LYS 20 2HG LYS 20 -8.142 -15.343 6.514 64 HG3 LYS 20 1HG LYS 20 -7.140 -13.942 6.899 65 HD2 LYS 20 2HD LYS 20 -8.967 -13.701 8.835 66 HD3 LYS 20 1HD LYS 20 -9.046 -15.447 8.597 67 HE2 LYS 20 2HE LYS 20 -6.440 -15.282 8.706 68 HE3 LYS 20 1HE LYS 20 -6.766 -13.754 9.525 69 HZ1 LYS 20 3HZ LYS 20 -7.674 -16.453 10.362 70 HZ2 LYS 20 1HZ LYS 20 -8.184 -15.015 11.094 71 HZ3 LYS 20 2HZ LYS 20 -6.554 -15.464 11.155 72 H GLY 21 H GLY 21 -9.430 -11.614 3.606 73 HA2 GLY 21 2HA GLY 21 -11.915 -10.400 4.321 74 HA3 GLY 21 1HA GLY 21 -10.721 -9.196 3.860 75 H THR 22 H THR 22 -11.957 -8.586 2.060 76 HA THR 22 HA THR 22 -11.796 -10.485 -0.181 77 HB THR 22 HB THR 22 -14.014 -8.482 -0.075 78 HG1 THR 22 1HG THR 22 -14.306 -9.483 1.867 79 HG21 THR 22 3HG2 THR 22 -14.484 -9.526 -1.973 80 HG22 THR 22 1HG2 THR 22 -14.995 -10.885 -0.972 81 HG23 THR 22 2HG2 THR 22 -13.357 -10.839 -1.626 82 H CYS 23 H CYS 23 -11.322 -9.604 -2.206 83 HA CYS 23 HA CYS 23 -10.445 -6.790 -2.150 84 HB2 CYS 23 2HB CYS 23 -8.827 -8.966 -2.479 85 HB3 CYS 23 1HB CYS 23 -9.190 -8.550 -4.149 86 H LYS 24 H LYS 24 -11.500 -5.492 -3.475 87 HA LYS 24 HA LYS 24 -12.480 -6.524 -6.036 88 HB2 LYS 24 2HB LYS 24 -14.636 -5.388 -5.737 89 HB3 LYS 24 1HB LYS 24 -14.387 -6.629 -4.515 90 HG2 LYS 24 2HG LYS 24 -13.638 -4.823 -2.955 91 HG3 LYS 24 1HG LYS 24 -14.143 -3.651 -4.175 92 HD2 LYS 24 2HD LYS 24 -16.118 -3.726 -3.099 93 HD3 LYS 24 1HD LYS 24 -16.353 -5.223 -4.003 94 HE2 LYS 24 2HE LYS 24 -15.246 -6.407 -2.057 95 HE3 LYS 24 1HE LYS 24 -15.401 -4.893 -1.169 96 HZ1 LYS 24 3HZ LYS 24 -17.507 -6.726 -2.091 97 HZ2 LYS 24 1HZ LYS 24 -17.867 -5.085 -1.885 98 HZ3 LYS 24 2HZ LYS 24 -17.306 -6.000 -0.578 99 H SER 25 H SER 25 -13.205 -4.694 -7.483 100 HA SER 25 HA SER 25 -11.130 -2.860 -7.829 101 HB2 SER 25 2HB SER 25 -13.825 -3.258 -9.011 102 HB3 SER 25 1HB SER 25 -13.093 -1.670 -9.236 103 HG SER 25 HG SER 25 -12.644 -3.575 -10.772 104 H LEU 26 H LEU 26 -11.964 -0.377 -8.232 105 HA LEU 26 HA LEU 26 -12.617 0.540 -5.533 106 HB2 LEU 26 2HB LEU 26 -11.689 2.651 -6.164 107 HB3 LEU 26 1HB LEU 26 -10.581 1.390 -6.673 108 HG LEU 26 HG LEU 26 -12.217 1.825 -8.897 109 HD11 LEU 26 1HD1 LEU 26 -11.760 4.323 -7.354 110 HD12 LEU 26 2HD1 LEU 26 -13.113 3.859 -8.384 111 HD13 LEU 26 3HD1 LEU 26 -11.592 4.380 -9.108 112 HD21 LEU 26 3HD2 LEU 26 -9.933 1.292 -9.137 113 HD22 LEU 26 1HD2 LEU 26 -9.426 2.687 -8.183 114 HD23 LEU 26 2HD2 LEU 26 -10.116 2.921 -9.788 115 H LEU 27 H LEU 27 -14.683 -0.523 -7.275 116 HA LEU 27 HA LEU 27 -16.496 1.753 -7.168 117 HB2 LEU 27 2HB LEU 27 -16.050 0.102 -9.656 118 HB3 LEU 27 1HB LEU 27 -17.401 1.196 -9.428 119 HG LEU 27 HG LEU 27 -14.549 2.142 -9.282 120 HD11 LEU 27 1HD1 LEU 27 -14.968 1.053 -11.466 121 HD12 LEU 27 2HD1 LEU 27 -14.684 2.789 -11.594 122 HD13 LEU 27 3HD1 LEU 27 -16.324 2.151 -11.717 123 HD21 LEU 27 3HD2 LEU 27 -16.506 3.487 -8.357 124 HD22 LEU 27 1HD2 LEU 27 -17.013 3.681 -10.036 125 HD23 LEU 27 2HD2 LEU 27 -15.446 4.295 -9.511 126 H GLN 28 H GLN 28 -16.329 -0.432 -5.460 127 HA GLN 28 HA GLN 28 -18.972 -1.570 -5.825 128 HB2 GLN 28 2HB GLN 28 -16.496 -3.286 -5.608 129 HB3 GLN 28 1HB GLN 28 -18.130 -3.888 -5.363 130 HG2 GLN 28 2HG GLN 28 -18.708 -3.297 -7.649 131 HG3 GLN 28 1HG GLN 28 -17.088 -2.649 -7.901 132 HE21 GLN 28 1HE2 GLN 28 -16.102 -3.973 -9.254 133 HE22 GLN 28 2HE2 GLN 28 -16.023 -5.693 -9.113 134 H CYS 29 H CYS 29 -16.037 -1.432 -3.849 135 HA CYS 29 HA CYS 29 -16.975 -2.375 -1.443 136 HB2 CYS 29 2HB CYS 29 -14.891 -0.408 -2.241 137 HB3 CYS 29 1HB CYS 29 -15.355 -0.447 -0.545 138 H ASP 30 H ASP 30 -18.688 -1.818 -0.282 139 HA ASP 30 HA ASP 30 -20.239 0.465 -0.690 140 HB2 ASP 30 2HB ASP 30 -20.148 -1.722 1.283 141 HB3 ASP 30 1HB ASP 30 -20.886 -0.234 1.867 142 H VAL 31 H VAL 31 -17.601 -0.149 1.547 143 HA VAL 31 HA VAL 31 -17.928 2.201 3.097 144 HB VAL 31 HB VAL 31 -15.607 1.807 3.852 145 HG11 VAL 31 1HG1 VAL 31 -17.727 -0.245 3.911 146 HG12 VAL 31 2HG1 VAL 31 -16.925 0.600 5.234 147 HG13 VAL 31 3HG1 VAL 31 -16.127 -0.760 4.443 148 HG21 VAL 31 3HG2 VAL 31 -14.319 0.982 2.169 149 HG22 VAL 31 1HG2 VAL 31 -15.621 -0.009 1.507 150 HG23 VAL 31 2HG2 VAL 31 -14.749 -0.544 2.943 151 H ALA 32 H ALA 32 -16.053 1.446 0.213 152 HA ALA 32 HA ALA 32 -14.608 3.867 0.093 153 HB1 ALA 32 3HB ALA 32 -13.729 3.058 -1.827 154 HB2 ALA 32 1HB ALA 32 -15.294 2.545 -2.454 155 HB3 ALA 32 2HB ALA 32 -14.457 1.555 -1.259 156 H SER 33 H SER 33 -17.757 2.896 -1.125 157 HA SER 33 HA SER 33 -18.224 5.161 -2.745 158 HB2 SER 33 2HB SER 33 -19.479 2.993 -2.878 159 HB3 SER 33 1HB SER 33 -20.308 3.444 -1.389 160 HG SER 33 HG SER 33 -20.630 4.400 -3.961 161 H LYS 34 H LYS 34 -18.862 4.487 0.655 162 HA LYS 34 HA LYS 34 -20.449 6.796 1.109 163 HB2 LYS 34 2HB LYS 34 -20.262 6.299 3.444 164 HB3 LYS 34 1HB LYS 34 -20.425 4.778 2.581 165 HG2 LYS 34 2HG LYS 34 -18.398 4.053 3.208 166 HG3 LYS 34 1HG LYS 34 -17.660 5.645 3.059 167 HD2 LYS 34 2HD LYS 34 -18.502 6.321 5.184 168 HD3 LYS 34 1HD LYS 34 -19.518 4.884 5.300 169 HE2 LYS 34 2HE LYS 34 -16.711 4.239 4.900 170 HE3 LYS 34 1HE LYS 34 -16.984 5.190 6.359 171 HZ1 LYS 34 3HZ LYS 34 -17.173 2.593 6.378 172 HZ2 LYS 34 1HZ LYS 34 -18.746 2.909 5.840 173 HZ3 LYS 34 2HZ LYS 34 -18.213 3.545 7.314 174 H ILE 35 H ILE 35 -17.009 6.179 1.162 175 HA ILE 35 HA ILE 35 -16.252 8.567 2.504 176 HB ILE 35 HB ILE 35 -14.605 6.945 0.560 177 HG12 ILE 35 2HG1 ILE 35 -14.334 6.664 3.514 178 HG13 ILE 35 1HG1 ILE 35 -15.708 5.881 2.742 179 HG21 ILE 35 1HG2 ILE 35 -12.856 7.922 2.358 180 HG22 ILE 35 2HG2 ILE 35 -14.041 9.227 2.337 181 HG23 ILE 35 3HG2 ILE 35 -13.253 8.728 0.841 182 HD11 ILE 35 3HD1 ILE 35 -14.358 4.172 2.343 183 HD12 ILE 35 1HD1 ILE 35 -12.934 5.103 2.805 184 HD13 ILE 35 2HD1 ILE 35 -13.547 5.191 1.154 185 H ILE 36 H ILE 36 -16.726 7.717 -0.879 186 HA ILE 36 HA ILE 36 -15.693 10.141 -1.950 187 HB ILE 36 HB ILE 36 -17.665 8.227 -3.205 188 HG12 ILE 36 2HG1 ILE 36 -15.464 7.240 -2.429 189 HG13 ILE 36 1HG1 ILE 36 -15.807 7.067 -4.147 190 HG21 ILE 36 1HG2 ILE 36 -15.814 10.210 -4.519 191 HG22 ILE 36 2HG2 ILE 36 -17.544 10.453 -4.273 192 HG23 ILE 36 3HG2 ILE 36 -16.976 9.152 -5.320 193 HD11 ILE 36 3HD1 ILE 36 -14.295 8.863 -4.670 194 HD12 ILE 36 1HD1 ILE 36 -13.469 7.669 -3.668 195 HD13 ILE 36 2HD1 ILE 36 -14.030 9.182 -2.956 196 H SER 37 H SER 37 -18.837 9.122 -0.798 197 HA SER 37 HA SER 37 -20.060 11.614 -1.714 198 HB2 SER 37 2HB SER 37 -21.451 9.394 -0.221 199 HB3 SER 37 1HB SER 37 -22.164 10.622 -1.266 200 HG SER 37 HG SER 37 -21.012 8.218 -1.910 201 H LYS 38 H LYS 38 -18.294 10.692 0.887 202 HA LYS 38 HA LYS 38 -19.859 11.734 3.029 203 HB2 LYS 38 2HB LYS 38 -17.163 10.631 2.675 204 HB3 LYS 38 1HB LYS 38 -17.269 11.873 3.916 205 HG2 LYS 38 2HG LYS 38 -19.387 9.846 4.020 206 HG3 LYS 38 1HG LYS 38 -17.757 9.242 4.319 207 HD2 LYS 38 2HD LYS 38 -18.128 11.700 5.737 208 HD3 LYS 38 1HD LYS 38 -19.467 10.612 6.102 209 HE2 LYS 38 2HE LYS 38 -16.890 9.262 6.109 210 HE3 LYS 38 1HE LYS 38 -16.968 10.582 7.275 211 HZ1 LYS 38 3HZ LYS 38 -18.457 9.497 8.536 212 HZ2 LYS 38 1HZ LYS 38 -17.848 8.118 7.767 213 HZ3 LYS 38 2HZ LYS 38 -19.278 8.831 7.216 214 H LYS 39 H LYS 39 -16.649 12.979 2.247 215 HA LYS 39 HA LYS 39 -17.302 15.486 1.290 216 HB2 LYS 39 2HB LYS 39 -18.042 15.236 4.011 217 HB3 LYS 39 1HB LYS 39 -16.620 16.270 3.967 218 HG2 LYS 39 2HG LYS 39 -17.703 17.949 2.902 219 HG3 LYS 39 1HG LYS 39 -18.752 16.850 2.003 220 HD2 LYS 39 2HD LYS 39 -19.841 16.366 4.287 221 HD3 LYS 39 1HD LYS 39 -19.030 17.839 4.823 222 HE2 LYS 39 2HE LYS 39 -20.589 17.954 2.299 223 HE3 LYS 39 1HE LYS 39 -21.486 17.859 3.813 224 HZ1 LYS 39 3HZ LYS 39 -20.788 19.904 4.465 225 HZ2 LYS 39 1HZ LYS 39 -20.746 20.149 2.791 226 HZ3 LYS 39 2HZ LYS 39 -19.319 19.814 3.634 227 HA PRO 40 HA PRO 40 -12.862 15.806 3.196 228 HB2 PRO 40 2HB PRO 40 -12.016 13.671 4.682 229 HB3 PRO 40 1HB PRO 40 -12.761 15.115 5.375 230 HG2 PRO 40 2HG PRO 40 -13.994 12.462 4.748 231 HG3 PRO 40 1HG PRO 40 -14.219 13.493 6.173 232 HD2 PRO 40 2HD PRO 40 -16.025 13.403 4.180 233 HD3 PRO 40 1HD PRO 40 -15.696 14.898 5.078 234 H ARG 41 H ARG 41 -11.044 15.218 2.086 235 HA ARG 41 HA ARG 41 -10.396 12.660 1.169 236 HB2 ARG 41 2HB ARG 41 -12.394 14.019 -0.420 237 HB3 ARG 41 1HB ARG 41 -10.941 13.738 -1.366 238 HG2 ARG 41 2HG ARG 41 -11.072 11.330 -0.553 239 HG3 ARG 41 1HG ARG 41 -12.706 11.725 -0.015 240 HD2 ARG 41 2HD ARG 41 -11.754 12.202 -2.829 241 HD3 ARG 41 1HD ARG 41 -12.495 10.687 -2.317 242 HE ARG 41 HE ARG 41 -14.256 12.624 -1.528 243 HH11 ARG 41 1HH1 ARG 41 -12.799 11.697 -4.561 244 HH12 ARG 41 2HH1 ARG 41 -14.146 12.225 -5.512 245 HH21 ARG 41 1HH2 ARG 41 -16.030 13.318 -2.778 246 HH22 ARG 41 2HH2 ARG 41 -15.979 13.145 -4.501 247 H THR 42 H THR 42 -8.307 13.176 1.615 248 HA THR 42 HA THR 42 -7.075 15.230 -0.098 249 HB THR 42 HB THR 42 -5.425 15.230 2.063 250 HG1 THR 42 1HG THR 42 -6.501 14.243 3.584 251 HG21 THR 42 3HG2 THR 42 -5.924 17.353 1.576 252 HG22 THR 42 1HG2 THR 42 -7.140 17.168 2.839 253 HG23 THR 42 2HG2 THR 42 -7.591 16.974 1.145 254 H ALA 43 H ALA 43 -4.476 14.895 0.366 255 HA ALA 43 HA ALA 43 -3.753 12.671 -1.125 256 HB1 ALA 43 3HB ALA 43 -2.320 14.624 -0.873 257 HB2 ALA 43 1HB ALA 43 -1.451 13.150 -0.447 258 HB3 ALA 43 2HB ALA 43 -2.048 14.219 0.822 259 H GLN 44 H GLN 44 -4.122 13.019 2.340 260 HA GLN 44 HA GLN 44 -2.767 10.718 3.175 261 HB2 GLN 44 2HB GLN 44 -5.207 12.017 4.399 262 HB3 GLN 44 1HB GLN 44 -4.164 10.852 5.204 263 HG2 GLN 44 2HG GLN 44 -3.195 13.497 4.158 264 HG3 GLN 44 1HG GLN 44 -3.776 13.251 5.804 265 HE21 GLN 44 1HE2 GLN 44 -1.077 13.572 4.098 266 HE22 GLN 44 2HE2 GLN 44 0.009 12.589 5.013 267 H ASP 45 H ASP 45 -5.957 11.163 1.818 268 HA ASP 45 HA ASP 45 -6.963 8.585 2.472 269 HB2 ASP 45 2HB ASP 45 -7.777 10.719 0.518 270 HB3 ASP 45 1HB ASP 45 -8.572 9.147 0.514 271 H GLU 46 H GLU 46 -5.178 9.914 -0.240 272 HA GLU 46 HA GLU 46 -5.464 7.718 -1.989 273 HB2 GLU 46 2HB GLU 46 -4.044 10.214 -1.940 274 HB3 GLU 46 1HB GLU 46 -2.961 8.939 -2.484 275 HG2 GLU 46 2HG GLU 46 -5.660 9.024 -3.691 276 HG3 GLU 46 1HG GLU 46 -4.531 10.303 -4.135 277 H LYS 47 H LYS 47 -3.061 8.515 0.462 278 HA LYS 47 HA LYS 47 -1.345 6.323 -0.101 279 HB2 LYS 47 2HB LYS 47 -1.100 7.024 2.655 280 HB3 LYS 47 1HB LYS 47 0.003 7.375 1.334 281 HG2 LYS 47 2HG LYS 47 -1.235 9.434 0.858 282 HG3 LYS 47 1HG LYS 47 -2.325 9.079 2.200 283 HD2 LYS 47 2HD LYS 47 0.657 9.485 2.429 284 HD3 LYS 47 1HD LYS 47 -0.571 10.691 2.822 285 HE2 LYS 47 2HE LYS 47 -0.378 9.861 4.904 286 HE3 LYS 47 1HE LYS 47 -1.437 8.591 4.292 287 HZ1 LYS 47 3HZ LYS 47 0.441 7.618 5.398 288 HZ2 LYS 47 1HZ LYS 47 1.529 8.496 4.444 289 HZ3 LYS 47 2HZ LYS 47 0.564 7.297 3.742 290 H PHE 48 H PHE 48 -4.045 6.788 2.102 291 HA PHE 48 HA PHE 48 -3.781 4.330 3.477 292 HB2 PHE 48 2HB PHE 48 -5.321 6.538 3.830 293 HB3 PHE 48 1HB PHE 48 -6.507 5.425 3.157 294 HD1 PHE 48 2HD PHE 48 -6.262 2.946 4.246 295 HD2 PHE 48 1HD PHE 48 -5.239 6.633 6.110 296 HE1 PHE 48 2HE PHE 48 -6.538 1.900 6.456 297 HE2 PHE 48 1HE PHE 48 -5.513 5.593 8.323 298 HZ PHE 48 HZ PHE 48 -6.164 3.225 8.498 299 H LEU 49 H LEU 49 -5.425 5.280 0.526 300 HA LEU 49 HA LEU 49 -6.870 2.856 0.185 301 HB2 LEU 49 2HB LEU 49 -7.836 4.486 -1.074 302 HB3 LEU 49 1HB LEU 49 -6.312 5.286 -1.401 303 HG LEU 49 HG LEU 49 -5.794 3.539 -3.084 304 HD11 LEU 49 1HD1 LEU 49 -6.913 1.616 -2.860 305 HD12 LEU 49 2HD1 LEU 49 -8.211 2.432 -3.730 306 HD13 LEU 49 3HD1 LEU 49 -8.230 2.377 -1.967 307 HD21 LEU 49 3HD2 LEU 49 -6.583 5.360 -4.184 308 HD22 LEU 49 1HD2 LEU 49 -8.087 5.404 -3.264 309 HD23 LEU 49 2HD2 LEU 49 -7.887 4.241 -4.575 310 H ARG 50 H ARG 50 -3.694 3.991 -0.757 311 HA ARG 50 HA ARG 50 -3.090 1.915 -2.582 312 HB2 ARG 50 2HB ARG 50 -1.851 4.244 -1.731 313 HB3 ARG 50 1HB ARG 50 -0.786 2.976 -1.141 314 HG2 ARG 50 2HG ARG 50 0.133 3.037 -3.166 315 HG3 ARG 50 1HG ARG 50 -1.300 2.162 -3.703 316 HD2 ARG 50 2HD ARG 50 -1.911 3.876 -4.977 317 HD3 ARG 50 1HD ARG 50 -1.901 4.952 -3.580 318 HE ARG 50 HE ARG 50 0.085 4.768 -5.628 319 HH11 ARG 50 1HH1 ARG 50 -0.434 5.546 -2.266 320 HH12 ARG 50 2HH1 ARG 50 0.943 6.593 -2.167 321 HH21 ARG 50 1HH2 ARG 50 1.895 6.145 -5.500 322 HH22 ARG 50 2HH2 ARG 50 2.263 6.934 -4.002 323 H GLU 51 H GLU 51 -2.699 2.277 0.889 324 HA GLU 51 HA GLU 51 -1.136 -0.068 1.274 325 HB2 GLU 51 2HB GLU 51 -2.767 1.670 3.112 326 HB3 GLU 51 1HB GLU 51 -1.982 0.208 3.692 327 HG2 GLU 51 2HG GLU 51 0.102 1.092 3.536 328 HG3 GLU 51 1HG GLU 51 -0.322 2.141 2.184 329 H SER 52 H SER 52 -4.570 0.592 1.145 330 HA SER 52 HA SER 52 -5.187 -2.168 1.904 331 HB2 SER 52 2HB SER 52 -7.251 -0.076 1.265 332 HB3 SER 52 1HB SER 52 -7.381 -1.472 2.335 333 HG SER 52 HG SER 52 -6.141 1.008 2.781 334 H ALA 53 H ALA 53 -3.894 -1.651 -0.602 335 HA ALA 53 HA ALA 53 -6.035 -2.426 -2.476 336 HB1 ALA 53 3HB ALA 53 -5.346 -0.533 -3.507 337 HB2 ALA 53 1HB ALA 53 -4.110 -1.614 -4.154 338 HB3 ALA 53 2HB ALA 53 -3.744 -0.583 -2.771 339 H CYS 54 H CYS 54 -5.783 -4.254 -3.664 340 HA CYS 54 HA CYS 54 -4.100 -6.284 -2.770 341 HB2 CYS 54 2HB CYS 54 -5.953 -5.891 -5.017 342 HB3 CYS 54 1HB CYS 54 -4.675 -7.059 -5.334 343 H GLY 55 H GLY 55 -1.949 -5.756 -2.693 344 HA2 GLY 55 2HA GLY 55 0.201 -5.570 -3.474 345 HA3 GLY 55 1HA GLY 55 -0.402 -6.181 -5.007 346 H PHE 56 H PHE 56 1.510 -4.521 -5.406 347 HA PHE 56 HA PHE 56 0.368 -1.836 -5.753 348 HB2 PHE 56 2HB PHE 56 2.635 -2.304 -4.546 349 HB3 PHE 56 1HB PHE 56 3.266 -2.483 -6.179 350 HD1 PHE 56 1HD PHE 56 0.798 -0.116 -4.690 351 HD2 PHE 56 2HD PHE 56 4.516 -0.629 -6.698 352 HE1 PHE 56 1HE PHE 56 1.040 2.328 -4.859 353 HE2 PHE 56 2HE PHE 56 4.763 1.812 -6.870 354 HZ PHE 56 HZ PHE 56 3.025 3.295 -5.950 355 H ASP 57 H ASP 57 -0.698 -1.836 -7.654 356 HA ASP 57 HA ASP 57 0.757 -2.800 -10.029 357 HB2 ASP 57 2HB ASP 57 -2.102 -2.942 -9.234 358 HB3 ASP 57 1HB ASP 57 -1.766 -2.648 -10.939 359 H GLY 58 H GLY 58 0.138 -1.625 -12.075 360 HA2 GLY 58 2HA GLY 58 -0.346 1.237 -11.537 361 HA3 GLY 58 1HA GLY 58 0.977 0.718 -12.571 362 H GLN 59 H GLN 59 -2.364 -0.469 -12.380 363 HA GLN 59 HA GLN 59 -3.299 0.866 -14.675 364 HB2 GLN 59 2HB GLN 59 -1.627 -1.373 -15.221 365 HB3 GLN 59 1HB GLN 59 -3.272 -1.816 -15.652 366 HG2 GLN 59 2HG GLN 59 -3.100 0.658 -16.743 367 HG3 GLN 59 1HG GLN 59 -1.437 0.094 -16.907 368 HE21 GLN 59 1HE2 GLN 59 -1.558 -0.057 -19.130 369 HE22 GLN 59 2HE2 GLN 59 -2.475 -1.282 -19.933 370 H THR 60 H THR 60 -3.475 -2.095 -12.752 371 HA THR 60 HA THR 60 -6.404 -2.035 -12.990 372 HB THR 60 HB THR 60 -4.864 -4.310 -11.782 373 HG1 THR 60 1HG THR 60 -5.181 -3.720 -14.526 374 HG21 THR 60 3HG2 THR 60 -6.889 -5.188 -11.673 375 HG22 THR 60 1HG2 THR 60 -6.889 -5.245 -13.434 376 HG23 THR 60 2HG2 THR 60 -7.584 -3.857 -12.598 377 HA PRO 61 HA PRO 61 -5.716 -0.383 -8.751 378 HB2 PRO 61 2HB PRO 61 -7.973 1.126 -8.722 379 HB3 PRO 61 1HB PRO 61 -6.455 1.685 -9.430 380 HG2 PRO 61 2HG PRO 61 -8.860 0.527 -10.783 381 HG3 PRO 61 1HG PRO 61 -7.864 1.913 -11.264 382 HD2 PRO 61 2HD PRO 61 -7.594 -0.532 -12.392 383 HD3 PRO 61 1HD PRO 61 -6.223 0.577 -12.181 384 H LYS 62 H LYS 62 -6.342 -1.509 -7.025 385 HA LYS 62 HA LYS 62 -9.069 -2.583 -6.926 386 HB2 LYS 62 2HB LYS 62 -6.520 -4.110 -6.822 387 HB3 LYS 62 1HB LYS 62 -7.799 -4.607 -5.721 388 HG2 LYS 62 2HG LYS 62 -9.090 -4.307 -8.150 389 HG3 LYS 62 1HG LYS 62 -7.536 -5.029 -8.572 390 HD2 LYS 62 2HD LYS 62 -9.072 -6.149 -6.275 391 HD3 LYS 62 1HD LYS 62 -9.591 -6.532 -7.917 392 HE2 LYS 62 2HE LYS 62 -6.759 -6.897 -6.974 393 HE3 LYS 62 1HE LYS 62 -7.981 -8.161 -6.836 394 HZ1 LYS 62 3HZ LYS 62 -7.958 -8.548 -9.043 395 HZ2 LYS 62 1HZ LYS 62 -6.397 -7.901 -8.940 396 HZ3 LYS 62 2HZ LYS 62 -7.682 -6.931 -9.456 397 H VAL 63 H VAL 63 -9.808 -3.100 -4.775 398 HA VAL 63 HA VAL 63 -8.252 -1.819 -2.629 399 HB VAL 63 HB VAL 63 -11.245 -1.557 -2.913 400 HG11 VAL 63 1HG1 VAL 63 -10.693 -1.346 -0.648 401 HG12 VAL 63 2HG1 VAL 63 -10.782 0.316 -1.233 402 HG13 VAL 63 3HG1 VAL 63 -9.212 -0.454 -1.000 403 HG21 VAL 63 3HG2 VAL 63 -10.804 0.797 -3.518 404 HG22 VAL 63 1HG2 VAL 63 -10.204 -0.342 -4.725 405 HG23 VAL 63 2HG2 VAL 63 -9.082 0.429 -3.602 406 H CYS 64 H CYS 64 -8.590 -2.644 -0.531 407 HA CYS 64 HA CYS 64 -9.663 -5.373 -0.524 408 HB2 CYS 64 2HB CYS 64 -7.525 -3.967 0.990 409 HB3 CYS 64 1HB CYS 64 -8.412 -5.228 1.840 410 H CYS 65 H CYS 65 -11.521 -5.799 0.433 411 HA CYS 65 HA CYS 65 -12.490 -3.989 2.541 412 HB2 CYS 65 2HB CYS 65 -13.817 -4.907 0.053 413 HB3 CYS 65 1HB CYS 65 -14.814 -4.893 1.505 414 HA PRO 66 HA PRO 66 -12.472 -7.831 4.844 415 HB2 PRO 66 2HB PRO 66 -13.934 -6.861 6.978 416 HB3 PRO 66 1HB PRO 66 -12.186 -6.696 6.797 417 HG2 PRO 66 2HG PRO 66 -14.350 -4.724 6.208 418 HG3 PRO 66 1HG PRO 66 -12.749 -4.458 6.921 419 HD2 PRO 66 2HD PRO 66 -13.279 -3.864 4.351 420 HD3 PRO 66 1HD PRO 66 -11.691 -4.472 4.863 Start of MODEL 15 1 H GLN 11 H GLN 11 -10.832 -10.881 -5.401 2 HA GLN 11 HA GLN 11 -10.774 -13.665 -4.479 3 HB2 GLN 11 2HB GLN 11 -8.913 -11.674 -5.639 4 HB3 GLN 11 1HB GLN 11 -8.261 -12.668 -4.343 5 HG2 GLN 11 2HG GLN 11 -9.493 -14.530 -5.901 6 HG3 GLN 11 1HG GLN 11 -8.931 -13.366 -7.099 7 HE21 GLN 11 1HE2 GLN 11 -7.578 -14.522 -4.031 8 HE22 GLN 11 2HE2 GLN 11 -6.067 -15.035 -4.691 9 H ALA 12 H ALA 12 -9.750 -14.035 -2.429 10 HA ALA 12 HA ALA 12 -10.645 -12.206 -0.409 11 HB1 ALA 12 3HB ALA 12 -9.575 -14.939 -0.502 12 HB2 ALA 12 1HB ALA 12 -10.852 -14.251 0.499 13 HB3 ALA 12 2HB ALA 12 -9.163 -14.027 0.951 14 H CYS 13 H CYS 13 -9.546 -10.590 0.465 15 HA CYS 13 HA CYS 13 -6.613 -10.568 0.186 16 HB2 CYS 13 2HB CYS 13 -7.261 -8.804 -1.173 17 HB3 CYS 13 1HB CYS 13 -8.652 -8.406 -0.175 18 H THR 14 H THR 14 -5.404 -9.614 1.894 19 HA THR 14 HA THR 14 -6.742 -9.861 4.490 20 HB THR 14 HB THR 14 -4.736 -11.239 4.117 21 HG1 THR 14 1HG THR 14 -4.793 -10.854 6.200 22 HG21 THR 14 3HG2 THR 14 -3.662 -9.170 2.763 23 HG22 THR 14 1HG2 THR 14 -2.733 -10.505 3.445 24 HG23 THR 14 2HG2 THR 14 -2.873 -8.986 4.330 25 H LEU 15 H LEU 15 -7.411 -8.054 5.415 26 HA LEU 15 HA LEU 15 -6.798 -5.466 4.570 27 HB2 LEU 15 2HB LEU 15 -7.671 -4.839 6.918 28 HB3 LEU 15 1HB LEU 15 -8.760 -5.622 5.790 29 HG LEU 15 HG LEU 15 -7.298 -7.464 7.564 30 HD11 LEU 15 1HD1 LEU 15 -9.534 -5.882 8.777 31 HD12 LEU 15 2HD1 LEU 15 -7.853 -5.381 8.960 32 HD13 LEU 15 3HD1 LEU 15 -8.377 -6.955 9.563 33 HD21 LEU 15 3HD2 LEU 15 -8.921 -8.706 6.679 34 HD22 LEU 15 1HD2 LEU 15 -9.803 -7.288 6.112 35 HD23 LEU 15 2HD2 LEU 15 -10.032 -7.867 7.762 36 HA PRO 16 HA PRO 16 -2.957 -4.164 6.268 37 HB2 PRO 16 2HB PRO 16 -3.782 -2.041 7.914 38 HB3 PRO 16 1HB PRO 16 -3.325 -1.928 6.212 39 HG2 PRO 16 2HG PRO 16 -6.034 -2.099 7.443 40 HG3 PRO 16 1HG PRO 16 -5.503 -1.204 6.007 41 HD2 PRO 16 2HD PRO 16 -6.905 -3.468 5.784 42 HD3 PRO 16 1HD PRO 16 -5.592 -3.090 4.650 43 H ASN 17 H ASN 17 -5.630 -4.729 8.445 44 HA ASN 17 HA ASN 17 -3.923 -4.948 10.775 45 HB2 ASN 17 2HB ASN 17 -6.685 -4.510 10.326 46 HB3 ASN 17 1HB ASN 17 -6.550 -6.022 11.218 47 HD21 ASN 17 1HD2 ASN 17 -5.907 -5.997 13.317 48 HD22 ASN 17 2HD2 ASN 17 -5.644 -4.549 14.221 49 H ASN 18 H ASN 18 -4.993 -6.979 8.258 50 HA ASN 18 HA ASN 18 -4.586 -9.168 7.794 51 HB2 ASN 18 2HB ASN 18 -2.516 -8.517 9.448 52 HB3 ASN 18 1HB ASN 18 -3.266 -9.834 10.346 53 HD21 ASN 18 1HD2 ASN 18 -1.351 -8.957 7.667 54 HD22 ASN 18 2HD2 ASN 18 -1.097 -10.543 7.034 55 H ASP 19 H ASP 19 -6.813 -9.593 7.966 56 HA ASP 19 HA ASP 19 -7.464 -11.474 10.061 57 HB2 ASP 19 2HB ASP 19 -8.176 -8.842 10.498 58 HB3 ASP 19 1HB ASP 19 -9.638 -9.532 9.804 59 H LYS 20 H LYS 20 -7.175 -11.317 7.085 60 HA LYS 20 HA LYS 20 -8.132 -12.257 5.250 61 HB2 LYS 20 2HB LYS 20 -10.221 -13.363 7.129 62 HB3 LYS 20 1HB LYS 20 -9.763 -13.993 5.552 63 HG2 LYS 20 2HG LYS 20 -7.952 -15.067 6.354 64 HG3 LYS 20 1HG LYS 20 -7.597 -13.810 7.541 65 HD2 LYS 20 2HD LYS 20 -9.920 -15.705 7.809 66 HD3 LYS 20 1HD LYS 20 -8.322 -16.048 8.472 67 HE2 LYS 20 2HE LYS 20 -9.227 -15.055 10.299 68 HE3 LYS 20 1HE LYS 20 -8.665 -13.602 9.474 69 HZ1 LYS 20 3HZ LYS 20 -10.754 -12.949 9.012 70 HZ2 LYS 20 1HZ LYS 20 -11.153 -13.923 10.337 71 HZ3 LYS 20 2HZ LYS 20 -11.328 -14.520 8.764 72 H GLY 21 H GLY 21 -9.542 -11.621 3.675 73 HA2 GLY 21 2HA GLY 21 -12.103 -10.489 4.244 74 HA3 GLY 21 1HA GLY 21 -10.917 -9.247 3.882 75 H THR 22 H THR 22 -12.184 -8.685 2.046 76 HA THR 22 HA THR 22 -11.772 -10.504 -0.232 77 HB THR 22 HB THR 22 -14.121 -8.632 0.033 78 HG1 THR 22 1HG THR 22 -15.314 -10.460 0.637 79 HG21 THR 22 3HG2 THR 22 -14.930 -9.479 -1.877 80 HG22 THR 22 1HG2 THR 22 -14.302 -11.095 -1.553 81 HG23 THR 22 2HG2 THR 22 -13.232 -9.847 -2.193 82 H CYS 23 H CYS 23 -11.225 -9.546 -2.208 83 HA CYS 23 HA CYS 23 -10.487 -6.697 -2.025 84 HB2 CYS 23 2HB CYS 23 -8.779 -8.840 -2.381 85 HB3 CYS 23 1HB CYS 23 -9.019 -8.250 -4.022 86 H LYS 24 H LYS 24 -11.516 -5.410 -3.362 87 HA LYS 24 HA LYS 24 -12.229 -6.319 -6.039 88 HB2 LYS 24 2HB LYS 24 -14.527 -5.257 -5.726 89 HB3 LYS 24 1HB LYS 24 -14.267 -6.814 -4.955 90 HG2 LYS 24 2HG LYS 24 -14.031 -5.810 -2.815 91 HG3 LYS 24 1HG LYS 24 -13.978 -4.190 -3.516 92 HD2 LYS 24 2HD LYS 24 -16.161 -4.280 -2.807 93 HD3 LYS 24 1HD LYS 24 -16.329 -4.865 -4.464 94 HE2 LYS 24 2HE LYS 24 -17.066 -6.849 -3.769 95 HE3 LYS 24 1HE LYS 24 -15.723 -7.025 -2.640 96 HZ1 LYS 24 3HZ LYS 24 -16.943 -6.241 -0.927 97 HZ2 LYS 24 1HZ LYS 24 -18.236 -6.813 -1.858 98 HZ3 LYS 24 2HZ LYS 24 -17.836 -5.169 -1.881 99 H SER 25 H SER 25 -13.123 -4.413 -7.343 100 HA SER 25 HA SER 25 -11.248 -2.338 -7.331 101 HB2 SER 25 2HB SER 25 -13.783 -2.901 -8.771 102 HB3 SER 25 1HB SER 25 -13.241 -1.222 -8.760 103 HG SER 25 HG SER 25 -12.452 -2.848 -10.459 104 H LEU 26 H LEU 26 -12.091 0.063 -7.389 105 HA LEU 26 HA LEU 26 -13.254 0.541 -4.750 106 HB2 LEU 26 2HB LEU 26 -12.450 2.863 -5.078 107 HB3 LEU 26 1HB LEU 26 -11.176 1.662 -5.141 108 HG LEU 26 HG LEU 26 -12.020 2.016 -7.803 109 HD11 LEU 26 1HD1 LEU 26 -11.787 4.387 -8.179 110 HD12 LEU 26 2HD1 LEU 26 -11.560 4.671 -6.453 111 HD13 LEU 26 3HD1 LEU 26 -13.114 4.097 -7.055 112 HD21 LEU 26 3HD2 LEU 26 -9.604 2.891 -6.240 113 HD22 LEU 26 1HD2 LEU 26 -9.741 3.104 -7.985 114 HD23 LEU 26 2HD2 LEU 26 -9.781 1.483 -7.289 115 H LEU 27 H LEU 27 -14.936 -0.294 -6.964 116 HA LEU 27 HA LEU 27 -16.815 1.943 -6.896 117 HB2 LEU 27 2HB LEU 27 -16.207 0.469 -9.453 118 HB3 LEU 27 1HB LEU 27 -17.288 1.832 -9.248 119 HG LEU 27 HG LEU 27 -14.343 2.073 -8.697 120 HD11 LEU 27 1HD1 LEU 27 -15.203 1.302 -11.125 121 HD12 LEU 27 2HD1 LEU 27 -13.812 2.354 -10.867 122 HD13 LEU 27 3HD1 LEU 27 -15.380 3.050 -11.273 123 HD21 LEU 27 3HD2 LEU 27 -16.597 3.988 -9.221 124 HD22 LEU 27 1HD2 LEU 27 -14.904 4.463 -9.354 125 HD23 LEU 27 2HD2 LEU 27 -15.541 3.892 -7.813 126 H GLN 28 H GLN 28 -16.668 -0.619 -5.535 127 HA GLN 28 HA GLN 28 -19.260 -1.676 -6.394 128 HB2 GLN 28 2HB GLN 28 -16.848 -3.385 -5.758 129 HB3 GLN 28 1HB GLN 28 -18.475 -3.992 -6.036 130 HG2 GLN 28 2HG GLN 28 -18.382 -3.018 -8.318 131 HG3 GLN 28 1HG GLN 28 -16.697 -2.593 -8.020 132 HE21 GLN 28 1HE2 GLN 28 -16.230 -3.931 -9.862 133 HE22 GLN 28 2HE2 GLN 28 -16.115 -5.643 -9.676 134 H CYS 29 H CYS 29 -16.730 -1.778 -3.901 135 HA CYS 29 HA CYS 29 -18.368 -2.758 -1.831 136 HB2 CYS 29 2HB CYS 29 -15.697 -2.237 -2.102 137 HB3 CYS 29 1HB CYS 29 -16.195 -0.948 -1.012 138 H ASP 30 H ASP 30 -19.911 -1.820 -0.673 139 HA ASP 30 HA ASP 30 -20.838 0.775 -1.190 140 HB2 ASP 30 2HB ASP 30 -21.640 -1.460 0.402 141 HB3 ASP 30 1HB ASP 30 -21.716 -0.013 1.402 142 H VAL 31 H VAL 31 -18.671 -0.483 1.268 143 HA VAL 31 HA VAL 31 -18.598 1.796 2.925 144 HB VAL 31 HB VAL 31 -16.454 0.892 3.767 145 HG11 VAL 31 1HG1 VAL 31 -18.280 -1.452 3.489 146 HG12 VAL 31 2HG1 VAL 31 -18.847 -0.003 4.319 147 HG13 VAL 31 3HG1 VAL 31 -17.420 -0.856 4.910 148 HG21 VAL 31 3HG2 VAL 31 -16.710 -0.785 1.326 149 HG22 VAL 31 1HG2 VAL 31 -15.993 -1.509 2.765 150 HG23 VAL 31 2HG2 VAL 31 -15.278 -0.062 2.056 151 H ALA 32 H ALA 32 -16.641 0.823 0.150 152 HA ALA 32 HA ALA 32 -14.796 2.956 0.295 153 HB1 ALA 32 3HB ALA 32 -14.922 0.694 -1.165 154 HB2 ALA 32 1HB ALA 32 -13.861 2.049 -1.549 155 HB3 ALA 32 2HB ALA 32 -15.406 1.878 -2.380 156 H SER 33 H SER 33 -17.912 2.599 -1.291 157 HA SER 33 HA SER 33 -17.777 5.003 -2.791 158 HB2 SER 33 2HB SER 33 -20.033 4.609 -3.363 159 HB3 SER 33 1HB SER 33 -19.339 3.001 -3.157 160 HG SER 33 HG SER 33 -20.182 3.141 -0.944 161 H LYS 34 H LYS 34 -18.978 4.219 0.423 162 HA LYS 34 HA LYS 34 -20.233 6.727 0.873 163 HB2 LYS 34 2HB LYS 34 -20.465 6.035 3.159 164 HB3 LYS 34 1HB LYS 34 -20.761 4.641 2.132 165 HG2 LYS 34 2HG LYS 34 -18.764 3.628 2.715 166 HG3 LYS 34 1HG LYS 34 -18.056 5.128 3.310 167 HD2 LYS 34 2HD LYS 34 -19.884 5.084 5.087 168 HD3 LYS 34 1HD LYS 34 -20.170 3.417 4.586 169 HE2 LYS 34 2HE LYS 34 -17.628 4.579 5.704 170 HE3 LYS 34 1HE LYS 34 -18.689 3.401 6.469 171 HZ1 LYS 34 3HZ LYS 34 -17.213 2.912 3.944 172 HZ2 LYS 34 1HZ LYS 34 -18.097 1.784 4.841 173 HZ3 LYS 34 2HZ LYS 34 -16.666 2.429 5.469 174 H ILE 35 H ILE 35 -16.978 5.516 1.342 175 HA ILE 35 HA ILE 35 -16.074 7.652 2.988 176 HB ILE 35 HB ILE 35 -14.542 5.728 1.234 177 HG12 ILE 35 2HG1 ILE 35 -15.800 4.795 3.188 178 HG13 ILE 35 1HG1 ILE 35 -14.059 4.553 3.280 179 HG21 ILE 35 1HG2 ILE 35 -12.722 6.571 3.038 180 HG22 ILE 35 2HG2 ILE 35 -13.642 8.055 2.797 181 HG23 ILE 35 3HG2 ILE 35 -12.890 7.250 1.421 182 HD11 ILE 35 3HD1 ILE 35 -14.732 7.007 4.565 183 HD12 ILE 35 1HD1 ILE 35 -14.001 5.554 5.246 184 HD13 ILE 35 2HD1 ILE 35 -15.756 5.715 5.189 185 H ILE 36 H ILE 36 -16.219 7.133 -0.484 186 HA ILE 36 HA ILE 36 -14.644 9.404 -1.190 187 HB ILE 36 HB ILE 36 -16.685 7.913 -2.846 188 HG12 ILE 36 2HG1 ILE 36 -14.733 6.585 -1.905 189 HG13 ILE 36 1HG1 ILE 36 -14.905 6.563 -3.656 190 HG21 ILE 36 1HG2 ILE 36 -16.404 9.721 -4.169 191 HG22 ILE 36 2HG2 ILE 36 -14.923 8.882 -4.630 192 HG23 ILE 36 3HG2 ILE 36 -14.869 10.164 -3.422 193 HD11 ILE 36 3HD1 ILE 36 -12.583 6.799 -2.995 194 HD12 ILE 36 1HD1 ILE 36 -12.976 8.259 -2.088 195 HD13 ILE 36 2HD1 ILE 36 -13.143 8.240 -3.844 196 H SER 37 H SER 37 -18.025 8.869 -0.503 197 HA SER 37 HA SER 37 -18.718 11.572 -1.370 198 HB2 SER 37 2HB SER 37 -20.999 10.918 -1.211 199 HB3 SER 37 1HB SER 37 -20.155 9.545 -1.927 200 HG SER 37 HG SER 37 -21.585 8.927 -0.235 201 H LYS 38 H LYS 38 -17.775 9.937 1.439 202 HA LYS 38 HA LYS 38 -19.274 11.097 3.456 203 HB2 LYS 38 2HB LYS 38 -16.791 9.670 3.241 204 HB3 LYS 38 1HB LYS 38 -16.611 10.988 4.391 205 HG2 LYS 38 2HG LYS 38 -18.984 9.959 5.178 206 HG3 LYS 38 1HG LYS 38 -18.174 8.510 4.579 207 HD2 LYS 38 2HD LYS 38 -16.436 10.186 6.211 208 HD3 LYS 38 1HD LYS 38 -17.866 9.629 7.082 209 HE2 LYS 38 2HE LYS 38 -17.060 7.366 5.764 210 HE3 LYS 38 1HE LYS 38 -15.526 8.141 6.156 211 HZ1 LYS 38 3HZ LYS 38 -15.933 6.890 8.023 212 HZ2 LYS 38 1HZ LYS 38 -17.607 7.127 7.969 213 HZ3 LYS 38 2HZ LYS 38 -16.592 8.376 8.487 214 H LYS 39 H LYS 39 -15.975 12.181 2.759 215 HA LYS 39 HA LYS 39 -16.599 14.869 2.263 216 HB2 LYS 39 2HB LYS 39 -16.518 14.099 5.074 217 HB3 LYS 39 1HB LYS 39 -15.372 15.378 4.699 218 HG2 LYS 39 2HG LYS 39 -16.991 16.899 4.277 219 HG3 LYS 39 1HG LYS 39 -18.108 15.694 3.631 220 HD2 LYS 39 2HD LYS 39 -18.833 15.052 5.752 221 HD3 LYS 39 1HD LYS 39 -17.417 15.743 6.547 222 HE2 LYS 39 2HE LYS 39 -19.335 17.500 5.066 223 HE3 LYS 39 1HE LYS 39 -19.701 16.968 6.708 224 HZ1 LYS 39 3HZ LYS 39 -17.712 18.864 5.774 225 HZ2 LYS 39 1HZ LYS 39 -17.200 17.825 7.008 226 HZ3 LYS 39 2HZ LYS 39 -18.556 18.811 7.239 227 HA PRO 40 HA PRO 40 -11.826 14.390 3.303 228 HB2 PRO 40 2HB PRO 40 -11.692 11.433 3.519 229 HB3 PRO 40 1HB PRO 40 -10.850 12.671 4.457 230 HG2 PRO 40 2HG PRO 40 -12.867 11.289 5.520 231 HG3 PRO 40 1HG PRO 40 -12.652 13.014 5.874 232 HD2 PRO 40 2HD PRO 40 -14.585 11.684 4.017 233 HD3 PRO 40 1HD PRO 40 -14.831 13.071 5.099 234 H ARG 41 H ARG 41 -10.708 14.583 1.469 235 HA ARG 41 HA ARG 41 -10.559 12.488 -0.477 236 HB2 ARG 41 2HB ARG 41 -11.467 13.899 -2.351 237 HB3 ARG 41 1HB ARG 41 -12.672 13.312 -1.213 238 HG2 ARG 41 2HG ARG 41 -12.493 15.549 -0.059 239 HG3 ARG 41 1HG ARG 41 -11.552 16.088 -1.452 240 HD2 ARG 41 2HD ARG 41 -13.612 15.074 -2.769 241 HD3 ARG 41 1HD ARG 41 -14.440 15.409 -1.250 242 HE ARG 41 HE ARG 41 -13.146 17.729 -1.789 243 HH11 ARG 41 1HH1 ARG 41 -15.328 15.713 -3.621 244 HH12 ARG 41 2HH1 ARG 41 -15.988 17.033 -4.525 245 HH21 ARG 41 1HH2 ARG 41 -14.015 19.466 -2.978 246 HH22 ARG 41 2HH2 ARG 41 -15.244 19.164 -4.162 247 H THR 42 H THR 42 -8.412 13.161 0.589 248 HA THR 42 HA THR 42 -7.126 15.153 -1.157 249 HB THR 42 HB THR 42 -5.519 15.425 0.879 250 HG1 THR 42 1HG THR 42 -7.876 14.537 2.179 251 HG21 THR 42 3HG2 THR 42 -6.445 17.420 1.036 252 HG22 THR 42 1HG2 THR 42 -7.852 16.736 1.851 253 HG23 THR 42 2HG2 THR 42 -7.815 16.838 0.090 254 H ALA 43 H ALA 43 -4.552 14.815 -0.727 255 HA ALA 43 HA ALA 43 -3.853 12.502 -2.089 256 HB1 ALA 43 3HB ALA 43 -2.246 14.151 -2.189 257 HB2 ALA 43 1HB ALA 43 -1.515 13.015 -1.055 258 HB3 ALA 43 2HB ALA 43 -2.314 14.470 -0.457 259 H GLN 44 H GLN 44 -4.175 13.071 1.351 260 HA GLN 44 HA GLN 44 -2.840 10.772 2.276 261 HB2 GLN 44 2HB GLN 44 -5.036 12.454 3.480 262 HB3 GLN 44 1HB GLN 44 -4.296 11.106 4.332 263 HG2 GLN 44 2HG GLN 44 -2.399 12.235 4.758 264 HG3 GLN 44 1HG GLN 44 -2.425 13.077 3.209 265 HE21 GLN 44 1HE2 GLN 44 -2.870 13.371 6.501 266 HE22 GLN 44 2HE2 GLN 44 -3.668 14.903 6.527 267 H ASP 45 H ASP 45 -6.064 11.289 1.042 268 HA ASP 45 HA ASP 45 -7.185 8.850 1.972 269 HB2 ASP 45 2HB ASP 45 -7.971 10.904 -0.058 270 HB3 ASP 45 1HB ASP 45 -8.816 9.359 -0.026 271 H GLU 46 H GLU 46 -5.474 9.796 -0.945 272 HA GLU 46 HA GLU 46 -6.002 7.418 -2.401 273 HB2 GLU 46 2HB GLU 46 -4.811 9.864 -2.949 274 HB3 GLU 46 1HB GLU 46 -3.485 8.717 -3.085 275 HG2 GLU 46 2HG GLU 46 -5.719 7.606 -4.419 276 HG3 GLU 46 1HG GLU 46 -5.556 9.281 -4.942 277 H LYS 47 H LYS 47 -3.376 8.429 -0.278 278 HA LYS 47 HA LYS 47 -1.749 6.150 -0.734 279 HB2 LYS 47 2HB LYS 47 -0.595 6.843 1.364 280 HB3 LYS 47 1HB LYS 47 -0.747 8.138 0.186 281 HG2 LYS 47 2HG LYS 47 -2.627 9.060 1.421 282 HG3 LYS 47 1HG LYS 47 -2.511 7.748 2.594 283 HD2 LYS 47 2HD LYS 47 -1.436 9.720 3.484 284 HD3 LYS 47 1HD LYS 47 -0.217 8.491 3.142 285 HE2 LYS 47 2HE LYS 47 0.855 9.874 1.773 286 HE3 LYS 47 1HE LYS 47 -0.608 10.125 0.822 287 HZ1 LYS 47 3HZ LYS 47 -1.199 11.968 2.077 288 HZ2 LYS 47 1HZ LYS 47 0.477 12.140 1.927 289 HZ3 LYS 47 2HZ LYS 47 -0.189 11.558 3.368 290 H PHE 48 H PHE 48 -4.294 6.919 1.559 291 HA PHE 48 HA PHE 48 -3.969 4.660 3.218 292 HB2 PHE 48 2HB PHE 48 -5.262 6.704 3.835 293 HB3 PHE 48 1HB PHE 48 -6.510 6.211 2.696 294 HD1 PHE 48 2HD PHE 48 -7.920 4.277 3.156 295 HD2 PHE 48 1HD PHE 48 -4.995 5.604 5.948 296 HE1 PHE 48 2HE PHE 48 -8.988 2.923 4.912 297 HE2 PHE 48 1HE PHE 48 -6.057 4.252 7.709 298 HZ PHE 48 HZ PHE 48 -8.057 2.910 7.192 299 H LEU 49 H LEU 49 -6.027 5.264 0.399 300 HA LEU 49 HA LEU 49 -7.237 2.677 0.487 301 HB2 LEU 49 2HB LEU 49 -8.038 3.224 -1.803 302 HB3 LEU 49 1HB LEU 49 -8.451 4.424 -0.594 303 HG LEU 49 HG LEU 49 -6.270 5.608 -1.475 304 HD11 LEU 49 1HD1 LEU 49 -5.415 4.950 -3.431 305 HD12 LEU 49 2HD1 LEU 49 -7.005 4.651 -4.131 306 HD13 LEU 49 3HD1 LEU 49 -6.239 3.422 -3.125 307 HD21 LEU 49 3HD2 LEU 49 -7.853 6.513 -3.401 308 HD22 LEU 49 1HD2 LEU 49 -8.140 6.885 -1.700 309 HD23 LEU 49 2HD2 LEU 49 -9.057 5.601 -2.489 310 H ARG 50 H ARG 50 -4.465 4.088 -1.123 311 HA ARG 50 HA ARG 50 -3.917 1.914 -2.856 312 HB2 ARG 50 2HB ARG 50 -2.465 4.328 -1.915 313 HB3 ARG 50 1HB ARG 50 -1.487 3.015 -2.557 314 HG2 ARG 50 2HG ARG 50 -3.147 3.097 -4.547 315 HG3 ARG 50 1HG ARG 50 -3.518 4.709 -3.936 316 HD2 ARG 50 2HD ARG 50 -0.945 5.026 -3.938 317 HD3 ARG 50 1HD ARG 50 -0.943 3.644 -5.033 318 HE ARG 50 HE ARG 50 -2.757 5.285 -6.160 319 HH11 ARG 50 1HH1 ARG 50 0.509 5.801 -5.040 320 HH12 ARG 50 2HH1 ARG 50 0.839 7.048 -6.196 321 HH21 ARG 50 1HH2 ARG 50 -2.323 6.923 -7.680 322 HH22 ARG 50 2HH2 ARG 50 -0.767 7.685 -7.694 323 H GLU 51 H GLU 51 -3.033 2.682 0.450 324 HA GLU 51 HA GLU 51 -1.076 0.638 0.742 325 HB2 GLU 51 2HB GLU 51 -1.477 2.751 2.187 326 HB3 GLU 51 1HB GLU 51 -2.670 1.767 3.023 327 HG2 GLU 51 2HG GLU 51 -0.914 0.114 3.523 328 HG3 GLU 51 1HG GLU 51 0.267 1.174 2.756 329 H SER 52 H SER 52 -4.546 0.752 1.064 330 HA SER 52 HA SER 52 -4.605 -1.932 2.227 331 HB2 SER 52 2HB SER 52 -6.997 -0.200 1.598 332 HB3 SER 52 1HB SER 52 -6.892 -1.542 2.738 333 HG SER 52 HG SER 52 -5.930 1.084 2.977 334 H ALA 53 H ALA 53 -3.663 -1.662 -0.446 335 HA ALA 53 HA ALA 53 -5.851 -2.942 -1.952 336 HB1 ALA 53 3HB ALA 53 -3.473 -1.675 -3.261 337 HB2 ALA 53 1HB ALA 53 -4.864 -0.708 -2.773 338 HB3 ALA 53 2HB ALA 53 -5.067 -2.016 -3.939 339 H CYS 54 H CYS 54 -5.588 -5.004 -2.498 340 HA CYS 54 HA CYS 54 -3.288 -6.465 -1.706 341 HB2 CYS 54 2HB CYS 54 -4.403 -8.357 -2.961 342 HB3 CYS 54 1HB CYS 54 -5.369 -7.619 -1.689 343 H GLY 55 H GLY 55 -1.737 -5.065 -2.913 344 HA2 GLY 55 2HA GLY 55 -0.041 -5.710 -4.547 345 HA3 GLY 55 1HA GLY 55 -1.350 -6.147 -5.634 346 H PHE 56 H PHE 56 0.398 -4.612 -6.784 347 HA PHE 56 HA PHE 56 -1.029 -2.216 -7.359 348 HB2 PHE 56 2HB PHE 56 0.787 -0.632 -6.735 349 HB3 PHE 56 1HB PHE 56 0.028 -1.397 -5.344 350 HD1 PHE 56 1HD PHE 56 3.015 -1.479 -7.526 351 HD2 PHE 56 2HD PHE 56 1.288 -2.657 -3.817 352 HE1 PHE 56 1HE PHE 56 5.223 -2.220 -6.736 353 HE2 PHE 56 2HE PHE 56 3.494 -3.399 -3.022 354 HZ PHE 56 HZ PHE 56 5.466 -3.180 -4.481 355 H ASP 57 H ASP 57 -0.622 -1.595 -9.397 356 HA ASP 57 HA ASP 57 1.886 -2.461 -10.657 357 HB2 ASP 57 2HB ASP 57 -0.578 -3.661 -11.154 358 HB3 ASP 57 1HB ASP 57 -0.362 -2.551 -12.505 359 H GLY 58 H GLY 58 0.600 0.140 -9.662 360 HA2 GLY 58 2HA GLY 58 0.493 2.336 -10.320 361 HA3 GLY 58 1HA GLY 58 1.751 1.895 -11.464 362 H GLN 59 H GLN 59 -1.391 0.399 -11.603 363 HA GLN 59 HA GLN 59 -2.452 2.232 -13.547 364 HB2 GLN 59 2HB GLN 59 -0.966 -0.150 -14.391 365 HB3 GLN 59 1HB GLN 59 -2.576 -0.045 -15.087 366 HG2 GLN 59 2HG GLN 59 -0.495 2.124 -15.220 367 HG3 GLN 59 1HG GLN 59 -0.840 0.967 -16.502 368 HE21 GLN 59 1HE2 GLN 59 -1.928 3.781 -14.808 369 HE22 GLN 59 2HE2 GLN 59 -3.216 4.190 -15.884 370 H THR 60 H THR 60 -2.629 -1.048 -12.208 371 HA THR 60 HA THR 60 -5.495 -1.153 -12.581 372 HB THR 60 HB THR 60 -4.165 -3.184 -12.874 373 HG1 THR 60 1HG THR 60 -5.765 -4.289 -12.110 374 HG21 THR 60 3HG2 THR 60 -3.043 -4.310 -11.137 375 HG22 THR 60 1HG2 THR 60 -3.638 -3.180 -9.920 376 HG23 THR 60 2HG2 THR 60 -2.454 -2.648 -11.113 377 HA PRO 61 HA PRO 61 -5.989 0.631 -8.467 378 HB2 PRO 61 2HB PRO 61 -8.446 1.601 -8.803 379 HB3 PRO 61 1HB PRO 61 -7.063 2.340 -9.618 380 HG2 PRO 61 2HG PRO 61 -9.143 0.495 -10.709 381 HG3 PRO 61 1HG PRO 61 -8.384 1.904 -11.469 382 HD2 PRO 61 2HD PRO 61 -7.657 -0.753 -11.895 383 HD3 PRO 61 1HD PRO 61 -6.655 0.663 -12.269 384 H LYS 62 H LYS 62 -6.302 -0.780 -6.851 385 HA LYS 62 HA LYS 62 -8.862 -2.203 -6.718 386 HB2 LYS 62 2HB LYS 62 -7.774 -4.261 -6.002 387 HB3 LYS 62 1HB LYS 62 -7.195 -3.791 -7.595 388 HG2 LYS 62 2HG LYS 62 -5.245 -2.691 -6.331 389 HG3 LYS 62 1HG LYS 62 -5.769 -3.680 -4.967 390 HD2 LYS 62 2HD LYS 62 -4.388 -5.217 -5.860 391 HD3 LYS 62 1HD LYS 62 -5.738 -5.523 -6.954 392 HE2 LYS 62 2HE LYS 62 -4.773 -4.310 -8.685 393 HE3 LYS 62 1HE LYS 62 -3.709 -3.420 -7.597 394 HZ1 LYS 62 3HZ LYS 62 -2.204 -5.095 -7.548 395 HZ2 LYS 62 1HZ LYS 62 -2.850 -5.406 -9.081 396 HZ3 LYS 62 2HZ LYS 62 -3.358 -6.315 -7.749 397 H VAL 63 H VAL 63 -9.358 -2.997 -4.526 398 HA VAL 63 HA VAL 63 -7.867 -1.710 -2.370 399 HB VAL 63 HB VAL 63 -10.852 -1.339 -2.619 400 HG11 VAL 63 1HG1 VAL 63 -10.183 -1.291 -0.343 401 HG12 VAL 63 2HG1 VAL 63 -10.402 0.387 -0.841 402 HG13 VAL 63 3HG1 VAL 63 -8.778 -0.288 -0.708 403 HG21 VAL 63 3HG2 VAL 63 -8.579 0.371 -3.524 404 HG22 VAL 63 1HG2 VAL 63 -10.047 1.134 -2.916 405 HG23 VAL 63 2HG2 VAL 63 -10.127 0.051 -4.306 406 H CYS 64 H CYS 64 -8.498 -2.478 -0.230 407 HA CYS 64 HA CYS 64 -9.453 -5.253 -0.356 408 HB2 CYS 64 2HB CYS 64 -7.139 -4.552 0.617 409 HB3 CYS 64 1HB CYS 64 -8.070 -4.048 2.022 410 H CYS 65 H CYS 65 -11.376 -5.750 0.446 411 HA CYS 65 HA CYS 65 -12.602 -3.921 2.403 412 HB2 CYS 65 2HB CYS 65 -13.604 -4.945 -0.143 413 HB3 CYS 65 1HB CYS 65 -14.718 -5.226 1.189 414 HA PRO 66 HA PRO 66 -12.547 -7.767 4.755 415 HB2 PRO 66 2HB PRO 66 -13.225 -6.702 7.134 416 HB3 PRO 66 1HB PRO 66 -11.604 -6.517 6.452 417 HG2 PRO 66 2HG PRO 66 -13.889 -4.582 6.454 418 HG3 PRO 66 1HG PRO 66 -12.170 -4.284 6.769 419 HD2 PRO 66 2HD PRO 66 -13.367 -3.772 4.372 420 HD3 PRO 66 1HD PRO 66 -11.651 -4.191 4.534 Start of MODEL 16 1 H GLN 11 H GLN 11 -12.552 -11.662 -4.571 2 HA GLN 11 HA GLN 11 -10.471 -12.607 -4.562 3 HB2 GLN 11 2HB GLN 11 -9.769 -10.290 -5.915 4 HB3 GLN 11 1HB GLN 11 -8.881 -10.160 -4.404 5 HG2 GLN 11 2HG GLN 11 -7.372 -11.603 -5.121 6 HG3 GLN 11 1HG GLN 11 -8.620 -12.816 -5.408 7 HE21 GLN 11 1HE2 GLN 11 -7.371 -13.510 -7.213 8 HE22 GLN 11 2HE2 GLN 11 -7.439 -12.651 -8.710 9 H ALA 12 H ALA 12 -9.423 -13.078 -2.647 10 HA ALA 12 HA ALA 12 -10.320 -11.522 -0.335 11 HB1 ALA 12 3HB ALA 12 -10.326 -13.436 0.861 12 HB2 ALA 12 1HB ALA 12 -8.861 -14.049 0.093 13 HB3 ALA 12 2HB ALA 12 -10.412 -14.180 -0.737 14 H CYS 13 H CYS 13 -8.984 -10.082 0.517 15 HA CYS 13 HA CYS 13 -6.088 -10.615 0.405 16 HB2 CYS 13 2HB CYS 13 -5.921 -8.766 -0.850 17 HB3 CYS 13 1HB CYS 13 -7.602 -8.346 -0.574 18 H THR 14 H THR 14 -4.835 -9.602 2.135 19 HA THR 14 HA THR 14 -6.298 -9.745 4.658 20 HB THR 14 HB THR 14 -4.322 -11.127 4.511 21 HG1 THR 14 1HG THR 14 -4.529 -10.357 6.540 22 HG21 THR 14 3HG2 THR 14 -2.179 -9.339 4.578 23 HG22 THR 14 1HG2 THR 14 -3.164 -8.863 3.196 24 HG23 THR 14 2HG2 THR 14 -2.565 -10.517 3.322 25 H LEU 15 H LEU 15 -7.023 -7.934 5.529 26 HA LEU 15 HA LEU 15 -6.330 -5.349 4.687 27 HB2 LEU 15 2HB LEU 15 -7.422 -4.697 6.940 28 HB3 LEU 15 1HB LEU 15 -8.404 -5.467 5.710 29 HG LEU 15 HG LEU 15 -7.161 -7.334 7.612 30 HD11 LEU 15 1HD1 LEU 15 -8.151 -6.695 9.541 31 HD12 LEU 15 2HD1 LEU 15 -9.518 -5.941 8.721 32 HD13 LEU 15 3HD1 LEU 15 -7.974 -5.094 8.825 33 HD21 LEU 15 3HD2 LEU 15 -8.704 -8.473 6.442 34 HD22 LEU 15 1HD2 LEU 15 -9.620 -7.021 6.037 35 HD23 LEU 15 2HD2 LEU 15 -9.835 -7.791 7.609 36 HA PRO 16 HA PRO 16 -2.674 -4.054 6.757 37 HB2 PRO 16 2HB PRO 16 -3.647 -1.948 8.343 38 HB3 PRO 16 1HB PRO 16 -3.029 -1.817 6.695 39 HG2 PRO 16 2HG PRO 16 -5.842 -1.991 7.659 40 HG3 PRO 16 1HG PRO 16 -5.175 -1.086 6.289 41 HD2 PRO 16 2HD PRO 16 -6.556 -3.343 5.912 42 HD3 PRO 16 1HD PRO 16 -5.141 -2.958 4.911 43 H ASN 17 H ASN 17 -5.539 -4.633 8.672 44 HA ASN 17 HA ASN 17 -4.090 -4.851 11.161 45 HB2 ASN 17 2HB ASN 17 -6.775 -4.469 10.440 46 HB3 ASN 17 1HB ASN 17 -6.724 -6.048 11.219 47 HD21 ASN 17 1HD2 ASN 17 -6.130 -2.637 11.610 48 HD22 ASN 17 2HD2 ASN 17 -6.099 -2.640 13.338 49 H ASN 18 H ASN 18 -4.858 -6.904 8.530 50 HA ASN 18 HA ASN 18 -4.338 -9.070 8.085 51 HB2 ASN 18 2HB ASN 18 -3.030 -9.205 10.804 52 HB3 ASN 18 1HB ASN 18 -2.704 -10.219 9.401 53 HD21 ASN 18 1HD2 ASN 18 -1.815 -9.127 7.494 54 HD22 ASN 18 2HD2 ASN 18 -0.723 -7.809 7.736 55 H ASP 19 H ASP 19 -6.628 -9.443 8.227 56 HA ASP 19 HA ASP 19 -7.255 -11.456 10.214 57 HB2 ASP 19 2HB ASP 19 -7.968 -8.954 10.908 58 HB3 ASP 19 1HB ASP 19 -9.375 -9.398 9.948 59 H LYS 20 H LYS 20 -6.937 -11.127 7.244 60 HA LYS 20 HA LYS 20 -7.849 -11.991 5.351 61 HB2 LYS 20 2HB LYS 20 -9.930 -13.286 7.106 62 HB3 LYS 20 1HB LYS 20 -9.358 -13.827 5.534 63 HG2 LYS 20 2HG LYS 20 -7.742 -13.781 8.075 64 HG3 LYS 20 1HG LYS 20 -8.471 -15.205 7.333 65 HD2 LYS 20 2HD LYS 20 -6.802 -15.413 5.857 66 HD3 LYS 20 1HD LYS 20 -6.820 -13.691 5.474 67 HE2 LYS 20 2HE LYS 20 -5.289 -13.173 7.122 68 HE3 LYS 20 1HE LYS 20 -5.679 -14.603 8.077 69 HZ1 LYS 20 3HZ LYS 20 -3.838 -14.307 5.840 70 HZ2 LYS 20 1HZ LYS 20 -4.706 -15.757 5.912 71 HZ3 LYS 20 2HZ LYS 20 -3.727 -15.292 7.210 72 H GLY 21 H GLY 21 -9.135 -11.130 3.826 73 HA2 GLY 21 2HA GLY 21 -11.798 -10.204 4.426 74 HA3 GLY 21 1HA GLY 21 -10.651 -8.902 4.156 75 H THR 22 H THR 22 -12.036 -8.329 2.366 76 HA THR 22 HA THR 22 -11.418 -9.903 -0.048 77 HB THR 22 HB THR 22 -13.972 -8.350 0.247 78 HG1 THR 22 1HG THR 22 -13.489 -11.022 1.061 79 HG21 THR 22 3HG2 THR 22 -13.834 -8.979 -1.948 80 HG22 THR 22 1HG2 THR 22 -14.693 -10.355 -1.258 81 HG23 THR 22 2HG2 THR 22 -12.964 -10.469 -1.584 82 H CYS 23 H CYS 23 -10.606 -8.731 -1.731 83 HA CYS 23 HA CYS 23 -10.696 -5.801 -1.454 84 HB2 CYS 23 2HB CYS 23 -8.508 -5.651 -2.455 85 HB3 CYS 23 1HB CYS 23 -8.435 -6.753 -1.086 86 H LYS 24 H LYS 24 -11.484 -4.657 -3.068 87 HA LYS 24 HA LYS 24 -11.587 -5.752 -5.767 88 HB2 LYS 24 2HB LYS 24 -13.995 -5.112 -5.973 89 HB3 LYS 24 1HB LYS 24 -13.709 -6.466 -4.887 90 HG2 LYS 24 2HG LYS 24 -13.710 -4.676 -3.028 91 HG3 LYS 24 1HG LYS 24 -14.501 -3.660 -4.234 92 HD2 LYS 24 2HD LYS 24 -16.284 -4.644 -3.103 93 HD3 LYS 24 1HD LYS 24 -16.106 -5.652 -4.540 94 HE2 LYS 24 2HE LYS 24 -16.397 -7.100 -2.664 95 HE3 LYS 24 1HE LYS 24 -14.715 -7.215 -3.179 96 HZ1 LYS 24 3HZ LYS 24 -14.265 -6.854 -1.037 97 HZ2 LYS 24 1HZ LYS 24 -15.812 -6.263 -0.694 98 HZ3 LYS 24 2HZ LYS 24 -14.639 -5.234 -1.347 99 H SER 25 H SER 25 -12.471 -4.018 -7.310 100 HA SER 25 HA SER 25 -10.875 -1.780 -7.257 101 HB2 SER 25 2HB SER 25 -12.284 -2.714 -9.190 102 HB3 SER 25 1HB SER 25 -13.607 -1.750 -8.534 103 HG SER 25 HG SER 25 -11.102 -0.832 -9.491 104 H LEU 26 H LEU 26 -11.891 0.557 -7.382 105 HA LEU 26 HA LEU 26 -13.032 1.032 -4.749 106 HB2 LEU 26 2HB LEU 26 -12.539 3.404 -5.218 107 HB3 LEU 26 1HB LEU 26 -11.130 2.369 -5.347 108 HG LEU 26 HG LEU 26 -12.116 2.457 -7.941 109 HD11 LEU 26 1HD1 LEU 26 -12.943 4.482 -8.452 110 HD12 LEU 26 2HD1 LEU 26 -11.915 5.314 -7.284 111 HD13 LEU 26 3HD1 LEU 26 -13.395 4.520 -6.748 112 HD21 LEU 26 3HD2 LEU 26 -10.137 3.961 -8.315 113 HD22 LEU 26 1HD2 LEU 26 -9.791 2.462 -7.454 114 HD23 LEU 26 2HD2 LEU 26 -9.913 3.981 -6.567 115 H LEU 27 H LEU 27 -14.713 -0.119 -6.846 116 HA LEU 27 HA LEU 27 -16.871 1.838 -6.710 117 HB2 LEU 27 2HB LEU 27 -16.352 0.421 -9.306 118 HB3 LEU 27 1HB LEU 27 -17.389 1.801 -9.000 119 HG LEU 27 HG LEU 27 -15.008 2.881 -8.348 120 HD11 LEU 27 1HD1 LEU 27 -13.312 2.166 -9.912 121 HD12 LEU 27 2HD1 LEU 27 -14.394 0.935 -10.567 122 HD13 LEU 27 3HD1 LEU 27 -13.806 0.802 -8.909 123 HD21 LEU 27 3HD2 LEU 27 -16.777 3.633 -9.995 124 HD22 LEU 27 1HD2 LEU 27 -15.915 2.687 -11.207 125 HD23 LEU 27 2HD2 LEU 27 -15.110 4.034 -10.404 126 H GLN 28 H GLN 28 -16.293 -0.672 -5.361 127 HA GLN 28 HA GLN 28 -18.706 -2.137 -6.170 128 HB2 GLN 28 2HB GLN 28 -16.028 -3.350 -5.478 129 HB3 GLN 28 1HB GLN 28 -17.522 -4.270 -5.596 130 HG2 GLN 28 2HG GLN 28 -16.975 -2.626 -7.943 131 HG3 GLN 28 1HG GLN 28 -15.742 -3.846 -7.624 132 HE21 GLN 28 1HE2 GLN 28 -16.185 -5.250 -9.230 133 HE22 GLN 28 2HE2 GLN 28 -17.679 -6.099 -9.400 134 H CYS 29 H CYS 29 -16.220 -1.939 -3.613 135 HA CYS 29 HA CYS 29 -17.861 -2.962 -1.565 136 HB2 CYS 29 2HB CYS 29 -15.305 -2.675 -1.586 137 HB3 CYS 29 1HB CYS 29 -15.613 -1.016 -1.088 138 H ASP 30 H ASP 30 -19.256 -2.038 -0.161 139 HA ASP 30 HA ASP 30 -20.532 0.367 -0.841 140 HB2 ASP 30 2HB ASP 30 -21.055 -1.745 0.870 141 HB3 ASP 30 1HB ASP 30 -20.834 -0.387 1.968 142 H VAL 31 H VAL 31 -17.878 -0.339 1.319 143 HA VAL 31 HA VAL 31 -17.902 2.138 2.711 144 HB VAL 31 HB VAL 31 -15.540 0.307 2.287 145 HG11 VAL 31 1HG1 VAL 31 -14.531 1.341 4.114 146 HG12 VAL 31 2HG1 VAL 31 -16.044 2.064 4.661 147 HG13 VAL 31 3HG1 VAL 31 -15.243 2.683 3.218 148 HG21 VAL 31 3HG2 VAL 31 -16.219 -1.031 4.027 149 HG22 VAL 31 1HG2 VAL 31 -17.770 -0.643 3.283 150 HG23 VAL 31 2HG2 VAL 31 -17.245 0.217 4.731 151 H ALA 32 H ALA 32 -16.220 0.955 -0.154 152 HA ALA 32 HA ALA 32 -14.555 3.207 -0.519 153 HB1 ALA 32 3HB ALA 32 -15.412 0.914 -2.198 154 HB2 ALA 32 1HB ALA 32 -13.791 1.453 -1.758 155 HB3 ALA 32 2HB ALA 32 -14.697 2.308 -3.007 156 H SER 33 H SER 33 -17.814 2.448 -1.588 157 HA SER 33 HA SER 33 -18.092 4.619 -3.383 158 HB2 SER 33 2HB SER 33 -20.419 4.066 -3.452 159 HB3 SER 33 1HB SER 33 -19.533 2.547 -3.314 160 HG SER 33 HG SER 33 -19.936 2.750 -0.989 161 H LYS 34 H LYS 34 -18.719 4.252 0.062 162 HA LYS 34 HA LYS 34 -20.099 6.718 0.361 163 HB2 LYS 34 2HB LYS 34 -19.909 6.369 2.730 164 HB3 LYS 34 1HB LYS 34 -20.255 4.823 1.969 165 HG2 LYS 34 2HG LYS 34 -18.222 3.954 2.480 166 HG3 LYS 34 1HG LYS 34 -17.414 5.518 2.457 167 HD2 LYS 34 2HD LYS 34 -18.336 6.101 4.587 168 HD3 LYS 34 1HD LYS 34 -19.373 4.674 4.580 169 HE2 LYS 34 2HE LYS 34 -17.761 3.412 5.453 170 HE3 LYS 34 1HE LYS 34 -16.614 3.929 4.219 171 HZ1 LYS 34 3HZ LYS 34 -15.785 5.567 5.541 172 HZ2 LYS 34 1HZ LYS 34 -16.233 4.462 6.743 173 HZ3 LYS 34 2HZ LYS 34 -17.227 5.787 6.398 174 H ILE 35 H ILE 35 -16.720 5.794 0.473 175 HA ILE 35 HA ILE 35 -15.771 8.222 1.617 176 HB ILE 35 HB ILE 35 -14.257 6.252 -0.101 177 HG12 ILE 35 2HG1 ILE 35 -14.090 6.339 2.884 178 HG13 ILE 35 1HG1 ILE 35 -15.454 5.519 2.134 179 HG21 ILE 35 1HG2 ILE 35 -13.479 8.760 0.763 180 HG22 ILE 35 2HG2 ILE 35 -12.411 7.458 0.241 181 HG23 ILE 35 3HG2 ILE 35 -12.774 7.670 1.953 182 HD11 ILE 35 3HD1 ILE 35 -12.740 4.840 1.164 183 HD12 ILE 35 1HD1 ILE 35 -14.172 3.825 1.337 184 HD13 ILE 35 2HD1 ILE 35 -13.221 4.260 2.757 185 H ILE 36 H ILE 36 -16.336 7.110 -1.666 186 HA ILE 36 HA ILE 36 -15.065 9.338 -2.927 187 HB ILE 36 HB ILE 36 -17.087 7.400 -4.060 188 HG12 ILE 36 2HG1 ILE 36 -14.927 6.434 -3.137 189 HG13 ILE 36 1HG1 ILE 36 -15.255 6.092 -4.831 190 HG21 ILE 36 1HG2 ILE 36 -15.629 9.682 -5.200 191 HG22 ILE 36 2HG2 ILE 36 -17.129 8.915 -5.720 192 HG23 ILE 36 3HG2 ILE 36 -15.578 8.202 -6.158 193 HD11 ILE 36 3HD1 ILE 36 -13.323 6.991 -5.417 194 HD12 ILE 36 1HD1 ILE 36 -12.948 7.212 -3.709 195 HD13 ILE 36 2HD1 ILE 36 -13.737 8.505 -4.614 196 H SER 37 H SER 37 -18.266 8.662 -1.725 197 HA SER 37 HA SER 37 -19.423 10.975 -3.048 198 HB2 SER 37 2HB SER 37 -20.867 9.071 -2.894 199 HB3 SER 37 1HB SER 37 -20.565 8.904 -1.165 200 HG SER 37 HG SER 37 -22.495 9.935 -1.335 201 H LYS 38 H LYS 38 -18.218 10.038 0.093 202 HA LYS 38 HA LYS 38 -19.329 12.218 1.542 203 HB2 LYS 38 2HB LYS 38 -17.293 10.118 2.065 204 HB3 LYS 38 1HB LYS 38 -17.253 11.550 3.082 205 HG2 LYS 38 2HG LYS 38 -19.927 10.428 2.760 206 HG3 LYS 38 1HG LYS 38 -18.777 9.324 3.517 207 HD2 LYS 38 2HD LYS 38 -19.733 10.518 5.300 208 HD3 LYS 38 1HD LYS 38 -18.162 11.275 5.041 209 HE2 LYS 38 2HE LYS 38 -19.161 13.237 4.768 210 HE3 LYS 38 1HE LYS 38 -20.026 12.597 3.370 211 HZ1 LYS 38 3HZ LYS 38 -21.905 12.313 4.551 212 HZ2 LYS 38 1HZ LYS 38 -21.239 13.508 5.547 213 HZ3 LYS 38 2HZ LYS 38 -21.099 11.878 5.973 214 H LYS 39 H LYS 39 -15.921 11.580 0.783 215 HA LYS 39 HA LYS 39 -15.391 14.066 -0.400 216 HB2 LYS 39 2HB LYS 39 -13.934 14.915 1.580 217 HB3 LYS 39 1HB LYS 39 -15.659 15.236 1.576 218 HG2 LYS 39 2HG LYS 39 -15.904 13.152 3.003 219 HG3 LYS 39 1HG LYS 39 -14.151 13.214 3.195 220 HD2 LYS 39 2HD LYS 39 -14.935 15.801 3.737 221 HD3 LYS 39 1HD LYS 39 -16.230 14.833 4.444 222 HE2 LYS 39 2HE LYS 39 -14.293 13.435 5.451 223 HE3 LYS 39 1HE LYS 39 -13.309 14.855 5.097 224 HZ1 LYS 39 3HZ LYS 39 -15.147 16.109 6.350 225 HZ2 LYS 39 1HZ LYS 39 -14.021 15.222 7.249 226 HZ3 LYS 39 2HZ LYS 39 -15.567 14.594 6.972 227 HA PRO 40 HA PRO 40 -12.043 10.940 -0.689 228 HB2 PRO 40 2HB PRO 40 -11.990 10.693 -3.358 229 HB3 PRO 40 1HB PRO 40 -13.207 9.861 -2.379 230 HG2 PRO 40 2HG PRO 40 -13.458 12.378 -3.976 231 HG3 PRO 40 1HG PRO 40 -14.601 11.033 -3.820 232 HD2 PRO 40 2HD PRO 40 -14.786 13.403 -2.426 233 HD3 PRO 40 1HD PRO 40 -15.496 11.867 -1.891 234 H ARG 41 H ARG 41 -10.754 12.772 0.106 235 HA ARG 41 HA ARG 41 -8.761 13.537 -1.738 236 HB2 ARG 41 2HB ARG 41 -10.667 15.085 -2.382 237 HB3 ARG 41 1HB ARG 41 -10.464 15.848 -0.811 238 HG2 ARG 41 2HG ARG 41 -8.169 16.438 -1.385 239 HG3 ARG 41 1HG ARG 41 -8.359 15.658 -2.957 240 HD2 ARG 41 2HD ARG 41 -10.340 17.732 -2.191 241 HD3 ARG 41 1HD ARG 41 -8.714 18.270 -2.612 242 HE ARG 41 HE ARG 41 -9.778 16.456 -4.541 243 HH11 ARG 41 1HH1 ARG 41 -9.836 19.784 -3.494 244 HH12 ARG 41 2HH1 ARG 41 -10.265 20.399 -5.055 245 HH21 ARG 41 1HH2 ARG 41 -10.343 17.261 -6.593 246 HH22 ARG 41 2HH2 ARG 41 -10.553 18.966 -6.815 247 H THR 42 H THR 42 -7.924 12.391 0.242 248 HA THR 42 HA THR 42 -6.870 14.385 2.068 249 HB THR 42 HB THR 42 -7.834 11.911 3.396 250 HG1 THR 42 1HG THR 42 -9.601 14.046 2.808 251 HG21 THR 42 3HG2 THR 42 -6.634 13.801 4.553 252 HG22 THR 42 1HG2 THR 42 -8.161 13.285 5.273 253 HG23 THR 42 2HG2 THR 42 -8.095 14.758 4.303 254 H ALA 43 H ALA 43 -4.807 13.969 2.623 255 HA ALA 43 HA ALA 43 -3.284 12.102 1.251 256 HB1 ALA 43 3HB ALA 43 -2.825 14.123 3.195 257 HB2 ALA 43 1HB ALA 43 -1.671 13.372 2.094 258 HB3 ALA 43 2HB ALA 43 -1.954 12.673 3.690 259 H GLN 44 H GLN 44 -4.966 11.827 4.297 260 HA GLN 44 HA GLN 44 -3.699 9.395 5.106 261 HB2 GLN 44 2HB GLN 44 -4.975 11.151 6.543 262 HB3 GLN 44 1HB GLN 44 -6.409 10.252 6.065 263 HG2 GLN 44 2HG GLN 44 -4.341 8.477 7.001 264 HG3 GLN 44 1HG GLN 44 -4.710 9.715 8.201 265 HE21 GLN 44 1HE2 GLN 44 -6.484 9.500 9.402 266 HE22 GLN 44 2HE2 GLN 44 -7.706 8.300 9.170 267 H ASP 45 H ASP 45 -6.566 10.233 3.277 268 HA ASP 45 HA ASP 45 -7.701 7.627 3.269 269 HB2 ASP 45 2HB ASP 45 -8.325 10.221 2.149 270 HB3 ASP 45 1HB ASP 45 -8.588 8.950 0.957 271 H GLU 46 H GLU 46 -5.444 9.318 1.169 272 HA GLU 46 HA GLU 46 -5.484 7.364 -0.901 273 HB2 GLU 46 2HB GLU 46 -3.403 8.491 -1.681 274 HB3 GLU 46 1HB GLU 46 -4.749 9.593 -1.427 275 HG2 GLU 46 2HG GLU 46 -3.817 10.330 0.661 276 HG3 GLU 46 1HG GLU 46 -2.527 9.134 0.548 277 H LYS 47 H LYS 47 -3.438 7.907 1.920 278 HA LYS 47 HA LYS 47 -1.584 5.844 1.315 279 HB2 LYS 47 2HB LYS 47 -0.839 6.086 3.631 280 HB3 LYS 47 1HB LYS 47 -1.042 7.659 2.872 281 HG2 LYS 47 2HG LYS 47 -3.161 7.961 3.998 282 HG3 LYS 47 1HG LYS 47 -3.036 6.353 4.711 283 HD2 LYS 47 2HD LYS 47 -2.384 8.065 6.319 284 HD3 LYS 47 1HD LYS 47 -1.008 7.043 5.901 285 HE2 LYS 47 2HE LYS 47 -1.353 9.436 4.227 286 HE3 LYS 47 1HE LYS 47 -0.959 9.753 5.915 287 HZ1 LYS 47 3HZ LYS 47 0.794 7.835 5.347 288 HZ2 LYS 47 1HZ LYS 47 1.129 9.483 5.169 289 HZ3 LYS 47 2HZ LYS 47 0.667 8.564 3.826 290 H PHE 48 H PHE 48 -4.592 5.979 3.127 291 HA PHE 48 HA PHE 48 -4.410 3.381 4.234 292 HB2 PHE 48 2HB PHE 48 -5.962 5.351 4.899 293 HB3 PHE 48 1HB PHE 48 -7.024 4.734 3.636 294 HD1 PHE 48 2HD PHE 48 -4.935 3.041 6.220 295 HD2 PHE 48 1HD PHE 48 -8.819 3.682 4.603 296 HE1 PHE 48 2HE PHE 48 -5.861 1.403 7.806 297 HE2 PHE 48 1HE PHE 48 -9.752 2.045 6.185 298 HZ PHE 48 HZ PHE 48 -8.273 0.902 7.788 299 H LEU 49 H LEU 49 -5.933 4.639 1.298 300 HA LEU 49 HA LEU 49 -7.001 2.102 0.536 301 HB2 LEU 49 2HB LEU 49 -7.423 3.166 -1.650 302 HB3 LEU 49 1HB LEU 49 -8.050 4.096 -0.304 303 HG LEU 49 HG LEU 49 -5.813 5.421 -0.512 304 HD11 LEU 49 1HD1 LEU 49 -5.664 3.626 -2.764 305 HD12 LEU 49 2HD1 LEU 49 -4.455 4.742 -2.133 306 HD13 LEU 49 3HD1 LEU 49 -5.655 5.309 -3.292 307 HD21 LEU 49 3HD2 LEU 49 -8.145 5.627 -2.401 308 HD22 LEU 49 1HD2 LEU 49 -6.890 6.860 -2.273 309 HD23 LEU 49 2HD2 LEU 49 -7.903 6.482 -0.879 310 H ARG 50 H ARG 50 -4.086 3.917 -0.216 311 HA ARG 50 HA ARG 50 -3.107 2.144 -2.202 312 HB2 ARG 50 2HB ARG 50 -1.928 4.334 -0.544 313 HB3 ARG 50 1HB ARG 50 -0.846 3.253 -1.410 314 HG2 ARG 50 2HG ARG 50 -2.725 3.953 -3.310 315 HG3 ARG 50 1HG ARG 50 -2.470 5.442 -2.396 316 HD2 ARG 50 2HD ARG 50 -0.135 5.407 -2.830 317 HD3 ARG 50 1HD ARG 50 -0.212 3.769 -3.473 318 HE ARG 50 HE ARG 50 -0.786 4.648 -5.495 319 HH11 ARG 50 1HH1 ARG 50 -1.444 7.034 -3.035 320 HH12 ARG 50 2HH1 ARG 50 -1.868 8.271 -4.171 321 HH21 ARG 50 1HH2 ARG 50 -1.343 6.274 -6.991 322 HH22 ARG 50 2HH2 ARG 50 -1.811 7.838 -6.416 323 H GLU 51 H GLU 51 -2.736 2.340 1.294 324 HA GLU 51 HA GLU 51 -0.767 0.279 1.464 325 HB2 GLU 51 2HB GLU 51 -2.478 1.749 3.432 326 HB3 GLU 51 1HB GLU 51 -1.622 0.302 3.945 327 HG2 GLU 51 2HG GLU 51 0.459 1.444 2.955 328 HG3 GLU 51 1HG GLU 51 -0.509 2.916 3.013 329 H SER 52 H SER 52 -4.265 0.380 1.564 330 HA SER 52 HA SER 52 -4.382 -2.472 2.207 331 HB2 SER 52 2HB SER 52 -6.794 -0.730 1.786 332 HB3 SER 52 1HB SER 52 -6.623 -2.162 2.801 333 HG SER 52 HG SER 52 -6.578 0.153 3.727 334 H ALA 53 H ALA 53 -3.324 -1.760 -0.320 335 HA ALA 53 HA ALA 53 -5.482 -2.544 -2.164 336 HB1 ALA 53 3HB ALA 53 -4.125 -1.640 -3.954 337 HB2 ALA 53 1HB ALA 53 -2.811 -1.304 -2.824 338 HB3 ALA 53 2HB ALA 53 -4.336 -0.428 -2.691 339 H CYS 54 H CYS 54 -5.517 -4.607 -2.751 340 HA CYS 54 HA CYS 54 -3.266 -6.333 -2.263 341 HB2 CYS 54 2HB CYS 54 -4.735 -8.131 -3.025 342 HB3 CYS 54 1HB CYS 54 -5.565 -7.107 -1.860 343 H GLY 55 H GLY 55 -2.096 -4.747 -3.874 344 HA2 GLY 55 2HA GLY 55 -0.788 -5.743 -5.814 345 HA3 GLY 55 1HA GLY 55 -2.354 -5.834 -6.606 346 H PHE 56 H PHE 56 0.175 -4.336 -7.223 347 HA PHE 56 HA PHE 56 -0.945 -1.612 -7.263 348 HB2 PHE 56 2HB PHE 56 1.807 -2.657 -6.929 349 HB3 PHE 56 1HB PHE 56 1.643 -1.213 -7.922 350 HD1 PHE 56 1HD PHE 56 -0.286 0.428 -6.718 351 HD2 PHE 56 2HD PHE 56 2.503 -2.159 -4.809 352 HE1 PHE 56 1HE PHE 56 -0.398 1.813 -4.688 353 HE2 PHE 56 2HE PHE 56 2.394 -0.780 -2.774 354 HZ PHE 56 HZ PHE 56 0.943 1.208 -2.712 355 H ASP 57 H ASP 57 -1.972 -1.332 -9.140 356 HA ASP 57 HA ASP 57 -0.540 -2.065 -11.608 357 HB2 ASP 57 2HB ASP 57 -3.397 -2.492 -10.842 358 HB3 ASP 57 1HB ASP 57 -3.016 -2.163 -12.530 359 H GLY 58 H GLY 58 -0.396 -0.532 -13.169 360 HA2 GLY 58 2HA GLY 58 -1.330 2.140 -12.449 361 HA3 GLY 58 1HA GLY 58 -0.157 1.751 -13.697 362 H GLN 59 H GLN 59 -3.450 0.530 -13.166 363 HA GLN 59 HA GLN 59 -4.490 2.002 -15.412 364 HB2 GLN 59 2HB GLN 59 -4.127 -0.993 -15.578 365 HB3 GLN 59 1HB GLN 59 -5.180 -0.075 -16.646 366 HG2 GLN 59 2HG GLN 59 -3.208 1.240 -17.374 367 HG3 GLN 59 1HG GLN 59 -2.193 0.183 -16.394 368 HE21 GLN 59 1HE2 GLN 59 -2.498 -2.194 -16.868 369 HE22 GLN 59 2HE2 GLN 59 -2.616 -2.641 -18.533 370 H THR 60 H THR 60 -4.990 -0.739 -13.212 371 HA THR 60 HA THR 60 -7.735 0.233 -12.772 372 HB THR 60 HB THR 60 -6.980 -2.675 -12.605 373 HG1 THR 60 1HG THR 60 -6.767 -2.575 -14.689 374 HG21 THR 60 3HG2 THR 60 -9.162 -3.133 -12.375 375 HG22 THR 60 1HG2 THR 60 -9.661 -1.827 -13.450 376 HG23 THR 60 2HG2 THR 60 -9.235 -1.477 -11.774 377 HA PRO 61 HA PRO 61 -5.782 0.391 -8.660 378 HB2 PRO 61 2HB PRO 61 -7.706 1.969 -7.551 379 HB3 PRO 61 1HB PRO 61 -6.364 2.605 -8.508 380 HG2 PRO 61 2HG PRO 61 -9.190 2.063 -9.332 381 HG3 PRO 61 1HG PRO 61 -8.158 3.453 -9.719 382 HD2 PRO 61 2HD PRO 61 -8.579 1.437 -11.466 383 HD3 PRO 61 1HD PRO 61 -7.039 2.317 -11.387 384 H LYS 62 H LYS 62 -6.257 -0.626 -6.718 385 HA LYS 62 HA LYS 62 -8.882 -1.918 -6.480 386 HB2 LYS 62 2HB LYS 62 -6.194 -3.274 -6.258 387 HB3 LYS 62 1HB LYS 62 -7.687 -3.988 -5.667 388 HG2 LYS 62 2HG LYS 62 -7.809 -3.068 -8.444 389 HG3 LYS 62 1HG LYS 62 -6.649 -4.365 -8.148 390 HD2 LYS 62 2HD LYS 62 -9.002 -5.034 -6.739 391 HD3 LYS 62 1HD LYS 62 -9.503 -4.501 -8.345 392 HE2 LYS 62 2HE LYS 62 -9.130 -6.751 -8.689 393 HE3 LYS 62 1HE LYS 62 -7.582 -6.052 -9.163 394 HZ1 LYS 62 3HZ LYS 62 -8.260 -7.512 -6.687 395 HZ2 LYS 62 1HZ LYS 62 -6.910 -6.493 -6.758 396 HZ3 LYS 62 2HZ LYS 62 -7.020 -7.825 -7.795 397 H VAL 63 H VAL 63 -9.442 -2.567 -4.327 398 HA VAL 63 HA VAL 63 -7.789 -1.441 -2.184 399 HB VAL 63 HB VAL 63 -10.766 -0.964 -2.341 400 HG11 VAL 63 1HG1 VAL 63 -8.636 -0.377 -0.365 401 HG12 VAL 63 2HG1 VAL 63 -10.335 -0.781 -0.116 402 HG13 VAL 63 3HG1 VAL 63 -9.880 0.850 -0.605 403 HG21 VAL 63 3HG2 VAL 63 -9.740 1.500 -2.549 404 HG22 VAL 63 1HG2 VAL 63 -10.157 0.511 -3.950 405 HG23 VAL 63 2HG2 VAL 63 -8.486 0.596 -3.396 406 H CYS 64 H CYS 64 -8.230 -2.317 -0.088 407 HA CYS 64 HA CYS 64 -9.437 -4.989 -0.232 408 HB2 CYS 64 2HB CYS 64 -6.972 -4.527 0.513 409 HB3 CYS 64 1HB CYS 64 -7.714 -4.078 2.045 410 H CYS 65 H CYS 65 -11.300 -5.358 0.746 411 HA CYS 65 HA CYS 65 -12.184 -3.501 2.851 412 HB2 CYS 65 2HB CYS 65 -13.511 -4.559 0.463 413 HB3 CYS 65 1HB CYS 65 -14.472 -4.735 1.927 414 HA PRO 66 HA PRO 66 -11.681 -7.139 5.476 415 HB2 PRO 66 2HB PRO 66 -13.419 -5.445 7.207 416 HB3 PRO 66 1HB PRO 66 -11.918 -6.290 7.603 417 HG2 PRO 66 2HG PRO 66 -11.942 -3.649 7.237 418 HG3 PRO 66 1HG PRO 66 -10.587 -4.641 6.669 419 HD2 PRO 66 2HD PRO 66 -12.794 -3.380 5.114 420 HD3 PRO 66 1HD PRO 66 -11.105 -3.663 4.654 Start of MODEL 17 1 H GLN 11 H GLN 11 -11.808 -10.980 -4.863 2 HA GLN 11 HA GLN 11 -10.204 -12.857 -4.972 3 HB2 GLN 11 2HB GLN 11 -8.777 -10.964 -6.430 4 HB3 GLN 11 1HB GLN 11 -7.946 -11.015 -4.882 5 HG2 GLN 11 2HG GLN 11 -8.322 -13.671 -5.464 6 HG3 GLN 11 1HG GLN 11 -8.001 -12.957 -7.044 7 HE21 GLN 11 1HE2 GLN 11 -6.008 -13.941 -7.241 8 HE22 GLN 11 2HE2 GLN 11 -4.637 -13.469 -6.302 9 H ALA 12 H ALA 12 -9.373 -13.433 -2.973 10 HA ALA 12 HA ALA 12 -10.147 -11.742 -0.782 11 HB1 ALA 12 3HB ALA 12 -8.547 -14.155 -0.221 12 HB2 ALA 12 1HB ALA 12 -10.065 -14.415 -1.080 13 HB3 ALA 12 2HB ALA 12 -10.067 -13.607 0.488 14 H CYS 13 H CYS 13 -8.920 -10.282 0.199 15 HA CYS 13 HA CYS 13 -5.993 -10.537 -0.010 16 HB2 CYS 13 2HB CYS 13 -5.782 -8.163 -0.169 17 HB3 CYS 13 1HB CYS 13 -6.991 -8.652 -1.349 18 H THR 14 H THR 14 -4.829 -9.295 1.740 19 HA THR 14 HA THR 14 -6.217 -9.743 4.294 20 HB THR 14 HB THR 14 -4.291 -11.152 4.115 21 HG1 THR 14 1HG THR 14 -3.583 -10.651 6.023 22 HG21 THR 14 3HG2 THR 14 -2.039 -10.324 3.756 23 HG22 THR 14 1HG2 THR 14 -2.667 -8.697 3.495 24 HG23 THR 14 2HG2 THR 14 -3.067 -9.988 2.363 25 H LEU 15 H LEU 15 -6.897 -7.964 5.264 26 HA LEU 15 HA LEU 15 -6.182 -5.354 4.524 27 HB2 LEU 15 2HB LEU 15 -7.245 -4.768 6.788 28 HB3 LEU 15 1HB LEU 15 -8.248 -5.535 5.572 29 HG LEU 15 HG LEU 15 -6.939 -7.406 7.426 30 HD11 LEU 15 1HD1 LEU 15 -8.542 -6.944 9.243 31 HD12 LEU 15 2HD1 LEU 15 -9.028 -5.468 8.408 32 HD13 LEU 15 3HD1 LEU 15 -7.378 -5.638 9.007 33 HD21 LEU 15 3HD2 LEU 15 -9.864 -7.307 7.068 34 HD22 LEU 15 1HD2 LEU 15 -8.752 -8.673 6.979 35 HD23 LEU 15 2HD2 LEU 15 -8.915 -7.578 5.606 36 HA PRO 16 HA PRO 16 -2.495 -4.162 6.603 37 HB2 PRO 16 2HB PRO 16 -4.091 -2.241 8.236 38 HB3 PRO 16 1HB PRO 16 -2.634 -1.961 7.275 39 HG2 PRO 16 2HG PRO 16 -5.014 -1.181 6.378 40 HG3 PRO 16 1HG PRO 16 -3.810 -1.873 5.276 41 HD2 PRO 16 2HD PRO 16 -6.279 -3.106 6.406 42 HD3 PRO 16 1HD PRO 16 -5.530 -3.332 4.812 43 H ASN 17 H ASN 17 -5.317 -4.834 8.562 44 HA ASN 17 HA ASN 17 -3.777 -5.229 10.978 45 HB2 ASN 17 2HB ASN 17 -6.368 -4.535 10.551 46 HB3 ASN 17 1HB ASN 17 -6.543 -6.259 10.868 47 HD21 ASN 17 1HD2 ASN 17 -7.749 -5.396 12.729 48 HD22 ASN 17 2HD2 ASN 17 -6.869 -5.025 14.168 49 H ASN 18 H ASN 18 -4.663 -7.092 8.262 50 HA ASN 18 HA ASN 18 -4.260 -9.256 7.694 51 HB2 ASN 18 2HB ASN 18 -2.199 -8.684 9.331 52 HB3 ASN 18 1HB ASN 18 -2.965 -9.963 10.268 53 HD21 ASN 18 1HD2 ASN 18 -3.403 -11.991 9.115 54 HD22 ASN 18 2HD2 ASN 18 -2.275 -12.512 7.915 55 H ASP 19 H ASP 19 -6.497 -9.698 7.819 56 HA ASP 19 HA ASP 19 -7.147 -11.697 9.806 57 HB2 ASP 19 2HB ASP 19 -7.834 -9.225 10.543 58 HB3 ASP 19 1HB ASP 19 -9.225 -9.585 9.525 59 H LYS 20 H LYS 20 -6.821 -11.376 6.836 60 HA LYS 20 HA LYS 20 -7.737 -12.242 4.944 61 HB2 LYS 20 2HB LYS 20 -9.834 -13.501 6.712 62 HB3 LYS 20 1HB LYS 20 -9.284 -14.052 5.135 63 HG2 LYS 20 2HG LYS 20 -7.582 -15.196 6.007 64 HG3 LYS 20 1HG LYS 20 -7.133 -13.877 7.088 65 HD2 LYS 20 2HD LYS 20 -9.609 -15.385 7.724 66 HD3 LYS 20 1HD LYS 20 -8.067 -16.205 7.984 67 HE2 LYS 20 2HE LYS 20 -7.688 -13.668 9.049 68 HE3 LYS 20 1HE LYS 20 -9.333 -14.096 9.520 69 HZ1 LYS 20 3HZ LYS 20 -7.309 -16.156 9.876 70 HZ2 LYS 20 1HZ LYS 20 -8.616 -15.738 10.867 71 HZ3 LYS 20 2HZ LYS 20 -7.196 -14.818 10.904 72 H GLY 21 H GLY 21 -9.030 -11.397 3.405 73 HA2 GLY 21 2HA GLY 21 -11.666 -10.405 4.023 74 HA3 GLY 21 1HA GLY 21 -10.494 -9.136 3.707 75 H THR 22 H THR 22 -11.763 -8.506 1.918 76 HA THR 22 HA THR 22 -11.311 -10.165 -0.465 77 HB THR 22 HB THR 22 -13.785 -8.483 -0.103 78 HG1 THR 22 1HG THR 22 -14.847 -10.290 0.610 79 HG21 THR 22 3HG2 THR 22 -13.792 -10.949 -1.710 80 HG22 THR 22 1HG2 THR 22 -12.864 -9.596 -2.354 81 HG23 THR 22 2HG2 THR 22 -14.579 -9.398 -1.996 82 H CYS 23 H CYS 23 -10.892 -9.013 -2.396 83 HA CYS 23 HA CYS 23 -10.343 -6.145 -1.975 84 HB2 CYS 23 2HB CYS 23 -8.270 -7.408 -2.219 85 HB3 CYS 23 1HB CYS 23 -8.849 -8.110 -3.725 86 H LYS 24 H LYS 24 -11.479 -4.810 -3.155 87 HA LYS 24 HA LYS 24 -12.484 -5.683 -5.780 88 HB2 LYS 24 2HB LYS 24 -13.955 -4.554 -3.459 89 HB3 LYS 24 1HB LYS 24 -14.411 -3.957 -5.050 90 HG2 LYS 24 2HG LYS 24 -15.033 -6.111 -5.784 91 HG3 LYS 24 1HG LYS 24 -14.284 -6.881 -4.384 92 HD2 LYS 24 2HD LYS 24 -16.271 -4.888 -3.642 93 HD3 LYS 24 1HD LYS 24 -16.945 -6.182 -4.636 94 HE2 LYS 24 2HE LYS 24 -15.281 -7.451 -2.776 95 HE3 LYS 24 1HE LYS 24 -16.155 -6.220 -1.866 96 HZ1 LYS 24 3HZ LYS 24 -17.554 -8.068 -3.699 97 HZ2 LYS 24 1HZ LYS 24 -18.199 -7.151 -2.432 98 HZ3 LYS 24 2HZ LYS 24 -17.228 -8.495 -2.096 99 H SER 25 H SER 25 -13.113 -3.810 -7.172 100 HA SER 25 HA SER 25 -10.989 -1.916 -7.266 101 HB2 SER 25 2HB SER 25 -12.800 -0.909 -9.020 102 HB3 SER 25 1HB SER 25 -11.699 -2.232 -9.409 103 HG SER 25 HG SER 25 -14.434 -2.318 -8.762 104 H LEU 26 H LEU 26 -11.991 0.496 -7.892 105 HA LEU 26 HA LEU 26 -12.923 1.441 -5.327 106 HB2 LEU 26 2HB LEU 26 -12.444 3.626 -6.112 107 HB3 LEU 26 1HB LEU 26 -11.151 2.587 -6.682 108 HG LEU 26 HG LEU 26 -12.842 2.513 -8.815 109 HD11 LEU 26 1HD1 LEU 26 -13.984 4.475 -7.314 110 HD12 LEU 26 2HD1 LEU 26 -14.112 4.337 -9.067 111 HD13 LEU 26 3HD1 LEU 26 -12.901 5.402 -8.352 112 HD21 LEU 26 3HD2 LEU 26 -10.725 2.936 -9.461 113 HD22 LEU 26 1HD2 LEU 26 -10.404 3.994 -8.088 114 HD23 LEU 26 2HD2 LEU 26 -11.283 4.610 -9.489 115 H LEU 27 H LEU 27 -14.563 0.082 -7.753 116 HA LEU 27 HA LEU 27 -16.955 1.678 -7.193 117 HB2 LEU 27 2HB LEU 27 -17.609 1.226 -9.637 118 HB3 LEU 27 1HB LEU 27 -16.466 2.513 -9.304 119 HG LEU 27 HG LEU 27 -14.886 0.238 -9.718 120 HD11 LEU 27 1HD1 LEU 27 -15.680 -0.966 -11.456 121 HD12 LEU 27 2HD1 LEU 27 -16.560 0.399 -12.144 122 HD13 LEU 27 3HD1 LEU 27 -17.234 -0.485 -10.775 123 HD21 LEU 27 3HD2 LEU 27 -14.288 1.441 -11.834 124 HD22 LEU 27 1HD2 LEU 27 -14.203 2.423 -10.371 125 HD23 LEU 27 2HD2 LEU 27 -15.573 2.591 -11.466 126 H GLN 28 H GLN 28 -15.828 -0.980 -6.345 127 HA GLN 28 HA GLN 28 -18.053 -2.682 -7.252 128 HB2 GLN 28 2HB GLN 28 -15.198 -3.212 -6.835 129 HB3 GLN 28 1HB GLN 28 -16.253 -4.397 -6.078 130 HG2 GLN 28 2HG GLN 28 -16.959 -3.699 -8.836 131 HG3 GLN 28 1HG GLN 28 -15.402 -4.501 -8.641 132 HE21 GLN 28 1HE2 GLN 28 -15.372 -6.636 -8.416 133 HE22 GLN 28 2HE2 GLN 28 -16.756 -7.636 -8.155 134 H CYS 29 H CYS 29 -16.125 -1.641 -4.485 135 HA CYS 29 HA CYS 29 -17.835 -3.045 -2.611 136 HB2 CYS 29 2HB CYS 29 -15.223 -2.339 -2.495 137 HB3 CYS 29 1HB CYS 29 -15.943 -1.004 -1.604 138 H ASP 30 H ASP 30 -19.708 -2.252 -1.942 139 HA ASP 30 HA ASP 30 -20.652 0.315 -2.551 140 HB2 ASP 30 2HB ASP 30 -21.787 -1.993 -1.620 141 HB3 ASP 30 1HB ASP 30 -21.883 -0.955 -0.201 142 H VAL 31 H VAL 31 -19.149 -0.980 0.356 143 HA VAL 31 HA VAL 31 -19.581 1.250 2.017 144 HB VAL 31 HB VAL 31 -17.553 0.389 3.284 145 HG11 VAL 31 1HG1 VAL 31 -18.763 -1.417 4.244 146 HG12 VAL 31 2HG1 VAL 31 -19.675 -1.681 2.758 147 HG13 VAL 31 3HG1 VAL 31 -19.951 -0.226 3.717 148 HG21 VAL 31 3HG2 VAL 31 -16.599 -1.705 2.685 149 HG22 VAL 31 1HG2 VAL 31 -16.534 -0.682 1.249 150 HG23 VAL 31 2HG2 VAL 31 -17.766 -1.937 1.382 151 H ALA 32 H ALA 32 -17.010 0.468 -0.259 152 HA ALA 32 HA ALA 32 -15.266 2.568 0.427 153 HB1 ALA 32 3HB ALA 32 -14.619 0.628 -0.955 154 HB2 ALA 32 1HB ALA 32 -14.198 2.166 -1.708 155 HB3 ALA 32 2HB ALA 32 -15.605 1.264 -2.273 156 H SER 33 H SER 33 -18.021 2.390 -1.744 157 HA SER 33 HA SER 33 -17.647 4.899 -2.988 158 HB2 SER 33 2HB SER 33 -19.213 2.871 -3.602 159 HB3 SER 33 1HB SER 33 -20.384 3.752 -2.620 160 HG SER 33 HG SER 33 -20.032 4.180 -5.072 161 H LYS 34 H LYS 34 -19.412 3.894 -0.103 162 HA LYS 34 HA LYS 34 -20.702 6.362 0.351 163 HB2 LYS 34 2HB LYS 34 -21.310 5.527 2.478 164 HB3 LYS 34 1HB LYS 34 -21.289 4.138 1.405 165 HG2 LYS 34 2HG LYS 34 -19.811 3.093 2.680 166 HG3 LYS 34 1HG LYS 34 -18.719 4.477 2.655 167 HD2 LYS 34 2HD LYS 34 -19.655 5.409 4.572 168 HD3 LYS 34 1HD LYS 34 -21.148 4.480 4.409 169 HE2 LYS 34 2HE LYS 34 -20.317 2.742 5.548 170 HE3 LYS 34 1HE LYS 34 -18.774 2.810 4.698 171 HZ1 LYS 34 3HZ LYS 34 -18.544 4.952 6.226 172 HZ2 LYS 34 1HZ LYS 34 -18.062 3.413 6.740 173 HZ3 LYS 34 2HZ LYS 34 -19.560 4.035 7.219 174 H ILE 35 H ILE 35 -17.509 5.178 1.146 175 HA ILE 35 HA ILE 35 -16.865 7.221 3.022 176 HB ILE 35 HB ILE 35 -15.019 5.517 1.344 177 HG12 ILE 35 2HG1 ILE 35 -16.543 4.258 2.854 178 HG13 ILE 35 1HG1 ILE 35 -14.849 4.088 3.294 179 HG21 ILE 35 1HG2 ILE 35 -14.445 7.765 2.962 180 HG22 ILE 35 2HG2 ILE 35 -13.313 6.664 2.180 181 HG23 ILE 35 3HG2 ILE 35 -13.869 6.337 3.820 182 HD11 ILE 35 3HD1 ILE 35 -17.034 4.991 4.874 183 HD12 ILE 35 1HD1 ILE 35 -15.854 6.292 4.729 184 HD13 ILE 35 2HD1 ILE 35 -15.358 4.718 5.348 185 H ILE 36 H ILE 36 -16.371 6.843 -0.451 186 HA ILE 36 HA ILE 36 -14.799 9.136 -0.863 187 HB ILE 36 HB ILE 36 -16.723 7.830 -2.793 188 HG12 ILE 36 2HG1 ILE 36 -14.978 6.322 -1.810 189 HG13 ILE 36 1HG1 ILE 36 -14.853 6.518 -3.555 190 HG21 ILE 36 1HG2 ILE 36 -15.425 8.867 -4.547 191 HG22 ILE 36 2HG2 ILE 36 -14.341 9.591 -3.359 192 HG23 ILE 36 3HG2 ILE 36 -16.026 10.106 -3.446 193 HD11 ILE 36 3HD1 ILE 36 -13.241 8.511 -2.401 194 HD12 ILE 36 1HD1 ILE 36 -12.733 7.077 -3.294 195 HD13 ILE 36 2HD1 ILE 36 -12.901 7.010 -1.540 196 H SER 37 H SER 37 -18.261 8.674 -0.603 197 HA SER 37 HA SER 37 -18.863 11.376 -1.443 198 HB2 SER 37 2HB SER 37 -21.219 10.682 -0.663 199 HB3 SER 37 1HB SER 37 -20.536 9.829 -2.048 200 HG SER 37 HG SER 37 -20.729 8.940 0.633 201 H LYS 38 H LYS 38 -18.291 9.656 1.513 202 HA LYS 38 HA LYS 38 -19.579 11.350 3.332 203 HB2 LYS 38 2HB LYS 38 -17.483 9.288 3.451 204 HB3 LYS 38 1HB LYS 38 -17.428 10.470 4.751 205 HG2 LYS 38 2HG LYS 38 -20.065 9.284 4.130 206 HG3 LYS 38 1HG LYS 38 -18.865 8.233 4.884 207 HD2 LYS 38 2HD LYS 38 -19.275 10.945 6.034 208 HD3 LYS 38 1HD LYS 38 -20.516 9.724 6.324 209 HE2 LYS 38 2HE LYS 38 -17.599 9.210 6.836 210 HE3 LYS 38 1HE LYS 38 -18.657 9.923 8.053 211 HZ1 LYS 38 3HZ LYS 38 -20.054 7.970 7.954 212 HZ2 LYS 38 1HZ LYS 38 -18.460 7.515 8.296 213 HZ3 LYS 38 2HZ LYS 38 -19.088 7.292 6.741 214 H LYS 39 H LYS 39 -16.059 11.195 2.977 215 HA LYS 39 HA LYS 39 -15.827 14.038 2.595 216 HB2 LYS 39 2HB LYS 39 -15.881 13.038 5.243 217 HB3 LYS 39 1HB LYS 39 -14.213 13.476 4.901 218 HG2 LYS 39 2HG LYS 39 -15.212 15.690 4.033 219 HG3 LYS 39 1HG LYS 39 -16.647 15.210 4.941 220 HD2 LYS 39 2HD LYS 39 -13.882 15.361 6.131 221 HD3 LYS 39 1HD LYS 39 -15.048 16.684 6.191 222 HE2 LYS 39 2HE LYS 39 -15.564 13.915 7.264 223 HE3 LYS 39 1HE LYS 39 -14.996 15.267 8.244 224 HZ1 LYS 39 3HZ LYS 39 -17.551 15.186 6.728 225 HZ2 LYS 39 1HZ LYS 39 -17.006 16.478 7.677 226 HZ3 LYS 39 2HZ LYS 39 -17.390 15.000 8.402 227 HA PRO 40 HA PRO 40 -12.505 11.674 0.489 228 HB2 PRO 40 2HB PRO 40 -12.342 14.298 -0.898 229 HB3 PRO 40 1HB PRO 40 -12.408 12.668 -1.577 230 HG2 PRO 40 2HG PRO 40 -14.537 14.256 -1.683 231 HG3 PRO 40 1HG PRO 40 -14.715 12.524 -1.347 232 HD2 PRO 40 2HD PRO 40 -14.823 14.842 0.543 233 HD3 PRO 40 1HD PRO 40 -15.827 13.376 0.498 234 H ARG 41 H ARG 41 -10.365 13.203 -0.478 235 HA ARG 41 HA ARG 41 -9.251 15.078 1.182 236 HB2 ARG 41 2HB ARG 41 -9.414 12.757 2.619 237 HB3 ARG 41 1HB ARG 41 -7.819 12.599 1.899 238 HG2 ARG 41 2HG ARG 41 -7.152 13.749 3.697 239 HG3 ARG 41 1HG ARG 41 -7.716 15.151 2.786 240 HD2 ARG 41 2HD ARG 41 -9.980 14.093 4.064 241 HD3 ARG 41 1HD ARG 41 -8.689 14.071 5.265 242 HE ARG 41 HE ARG 41 -8.907 16.557 3.837 243 HH11 ARG 41 1HH1 ARG 41 -10.048 14.716 6.572 244 HH12 ARG 41 2HH1 ARG 41 -10.527 16.116 7.473 245 HH21 ARG 41 1HH2 ARG 41 -9.536 18.400 5.019 246 HH22 ARG 41 2HH2 ARG 41 -10.237 18.206 6.592 247 H THR 42 H THR 42 -6.999 15.378 0.722 248 HA THR 42 HA THR 42 -6.402 14.796 -2.004 249 HB THR 42 HB THR 42 -4.497 16.093 -0.069 250 HG1 THR 42 1HG THR 42 -6.772 17.244 -1.301 251 HG21 THR 42 3HG2 THR 42 -3.727 15.727 -2.379 252 HG22 THR 42 1HG2 THR 42 -3.851 17.434 -1.954 253 HG23 THR 42 2HG2 THR 42 -5.092 16.682 -2.956 254 H ALA 43 H ALA 43 -3.394 14.804 -0.656 255 HA ALA 43 HA ALA 43 -2.705 12.256 -1.479 256 HB1 ALA 43 3HB ALA 43 -1.425 14.194 0.409 257 HB2 ALA 43 1HB ALA 43 -0.928 13.725 -1.217 258 HB3 ALA 43 2HB ALA 43 -0.717 12.603 0.126 259 H GLN 44 H GLN 44 -3.960 13.333 1.613 260 HA GLN 44 HA GLN 44 -3.312 11.098 3.159 261 HB2 GLN 44 2HB GLN 44 -4.833 13.459 3.480 262 HB3 GLN 44 1HB GLN 44 -5.884 12.122 3.925 263 HG2 GLN 44 2HG GLN 44 -4.924 12.500 5.935 264 HG3 GLN 44 1HG GLN 44 -3.738 11.371 5.278 265 HE21 GLN 44 1HE2 GLN 44 -2.701 12.723 7.168 266 HE22 GLN 44 2HE2 GLN 44 -1.738 14.053 6.636 267 H ASP 45 H ASP 45 -6.144 11.742 1.146 268 HA ASP 45 HA ASP 45 -7.445 9.286 1.775 269 HB2 ASP 45 2HB ASP 45 -8.705 11.208 0.916 270 HB3 ASP 45 1HB ASP 45 -7.809 11.132 -0.596 271 H GLU 46 H GLU 46 -5.196 10.353 -0.688 272 HA GLU 46 HA GLU 46 -5.374 8.073 -2.350 273 HB2 GLU 46 2HB GLU 46 -3.336 10.248 -2.004 274 HB3 GLU 46 1HB GLU 46 -3.013 8.885 -3.064 275 HG2 GLU 46 2HG GLU 46 -5.373 10.739 -3.298 276 HG3 GLU 46 1HG GLU 46 -3.897 10.842 -4.256 277 H LYS 47 H LYS 47 -3.279 8.878 0.386 278 HA LYS 47 HA LYS 47 -1.617 6.595 0.137 279 HB2 LYS 47 2HB LYS 47 -0.977 7.069 2.494 280 HB3 LYS 47 1HB LYS 47 -0.854 8.472 1.442 281 HG2 LYS 47 2HG LYS 47 -2.843 9.415 2.333 282 HG3 LYS 47 1HG LYS 47 -3.220 7.935 3.215 283 HD2 LYS 47 2HD LYS 47 -0.652 9.379 3.731 284 HD3 LYS 47 1HD LYS 47 -2.151 9.948 4.470 285 HE2 LYS 47 2HE LYS 47 -2.310 7.313 5.021 286 HE3 LYS 47 1HE LYS 47 -0.559 7.527 5.018 287 HZ1 LYS 47 3HZ LYS 47 -2.400 9.248 6.581 288 HZ2 LYS 47 1HZ LYS 47 -0.714 9.159 6.706 289 HZ3 LYS 47 2HZ LYS 47 -1.672 7.859 7.214 290 H PHE 48 H PHE 48 -4.631 7.231 1.819 291 HA PHE 48 HA PHE 48 -4.767 4.920 3.375 292 HB2 PHE 48 2HB PHE 48 -6.503 7.077 2.679 293 HB3 PHE 48 1HB PHE 48 -7.395 5.571 2.504 294 HD1 PHE 48 1HD PHE 48 -5.631 7.769 4.842 295 HD2 PHE 48 2HD PHE 48 -7.919 4.208 4.409 296 HE1 PHE 48 1HE PHE 48 -5.970 7.695 7.279 297 HE2 PHE 48 2HE PHE 48 -8.262 4.127 6.844 298 HZ PHE 48 HZ PHE 48 -7.287 5.873 8.282 299 H LEU 49 H LEU 49 -5.713 5.493 0.023 300 HA LEU 49 HA LEU 49 -6.966 2.984 -0.375 301 HB2 LEU 49 2HB LEU 49 -5.585 4.283 -2.661 302 HB3 LEU 49 1HB LEU 49 -7.175 3.553 -2.585 303 HG LEU 49 HG LEU 49 -6.375 6.294 -1.631 304 HD11 LEU 49 1HD1 LEU 49 -8.379 5.403 -3.695 305 HD12 LEU 49 2HD1 LEU 49 -6.763 6.015 -4.045 306 HD13 LEU 49 3HD1 LEU 49 -7.957 7.065 -3.284 307 HD21 LEU 49 3HD2 LEU 49 -9.133 5.115 -1.439 308 HD22 LEU 49 1HD2 LEU 49 -8.531 6.614 -0.736 309 HD23 LEU 49 2HD2 LEU 49 -7.992 5.062 -0.097 310 H ARG 50 H ARG 50 -3.683 4.139 -0.934 311 HA ARG 50 HA ARG 50 -2.676 1.775 -2.090 312 HB2 ARG 50 2HB ARG 50 -1.508 3.914 -2.270 313 HB3 ARG 50 1HB ARG 50 -1.231 3.925 -0.534 314 HG2 ARG 50 2HG ARG 50 -0.156 1.521 -1.290 315 HG3 ARG 50 1HG ARG 50 0.227 2.564 -2.658 316 HD2 ARG 50 2HD ARG 50 0.714 3.959 -0.197 317 HD3 ARG 50 1HD ARG 50 1.549 2.407 -0.182 318 HE ARG 50 HE ARG 50 2.002 3.671 -2.649 319 HH11 ARG 50 1HH1 ARG 50 2.841 3.994 0.723 320 HH12 ARG 50 2HH1 ARG 50 4.354 4.770 0.401 321 HH21 ARG 50 1HH2 ARG 50 3.994 4.691 -3.073 322 HH22 ARG 50 2HH2 ARG 50 5.009 5.166 -1.754 323 H GLU 51 H GLU 51 -2.889 2.870 1.248 324 HA GLU 51 HA GLU 51 -1.397 0.702 2.340 325 HB2 GLU 51 2HB GLU 51 -2.175 3.094 3.315 326 HB3 GLU 51 1HB GLU 51 -3.402 2.067 4.042 327 HG2 GLU 51 2HG GLU 51 -1.820 0.826 5.239 328 HG3 GLU 51 1HG GLU 51 -0.484 1.420 4.253 329 H SER 52 H SER 52 -4.762 1.234 1.566 330 HA SER 52 HA SER 52 -5.445 -1.374 2.741 331 HB2 SER 52 2HB SER 52 -7.472 0.614 1.748 332 HB3 SER 52 1HB SER 52 -7.665 -0.655 2.959 333 HG SER 52 HG SER 52 -7.233 0.837 4.361 334 H ALA 53 H ALA 53 -4.012 -1.411 0.376 335 HA ALA 53 HA ALA 53 -6.057 -2.227 -1.589 336 HB1 ALA 53 3HB ALA 53 -4.044 -0.344 -1.922 337 HB2 ALA 53 1HB ALA 53 -4.996 -1.105 -3.195 338 HB3 ALA 53 2HB ALA 53 -3.434 -1.784 -2.737 339 H CYS 54 H CYS 54 -5.618 -4.111 -2.841 340 HA CYS 54 HA CYS 54 -4.028 -6.068 -1.375 341 HB2 CYS 54 2HB CYS 54 -5.184 -7.753 -2.682 342 HB3 CYS 54 1HB CYS 54 -6.354 -6.627 -2.009 343 H GLY 55 H GLY 55 -2.838 -3.955 -3.158 344 HA2 GLY 55 2HA GLY 55 -1.167 -3.778 -4.730 345 HA3 GLY 55 1HA GLY 55 -0.690 -5.367 -4.162 346 H PHE 56 H PHE 56 -0.157 -6.364 -5.994 347 HA PHE 56 HA PHE 56 -0.440 -7.563 -7.908 348 HB2 PHE 56 2HB PHE 56 -3.154 -7.265 -6.901 349 HB3 PHE 56 1HB PHE 56 -3.113 -7.342 -8.659 350 HD1 PHE 56 2HD PHE 56 -2.292 -9.333 -9.797 351 HD2 PHE 56 1HD PHE 56 -2.552 -9.152 -5.553 352 HE1 PHE 56 2HE PHE 56 -2.068 -11.781 -9.683 353 HE2 PHE 56 1HE PHE 56 -2.327 -11.600 -5.431 354 HZ PHE 56 HZ PHE 56 -2.085 -12.917 -7.498 355 H ASP 57 H ASP 57 -2.816 -4.907 -8.178 356 HA ASP 57 HA ASP 57 -1.621 -4.217 -10.766 357 HB2 ASP 57 2HB ASP 57 -4.326 -4.003 -9.603 358 HB3 ASP 57 1HB ASP 57 -3.828 -2.640 -10.599 359 H GLY 58 H GLY 58 -0.880 -2.165 -11.237 360 HA2 GLY 58 2HA GLY 58 -0.375 -0.474 -8.877 361 HA3 GLY 58 1HA GLY 58 0.617 -0.510 -10.325 362 H GLN 59 H GLN 59 -1.490 -0.363 -12.229 363 HA GLN 59 HA GLN 59 -2.012 2.480 -12.082 364 HB2 GLN 59 2HB GLN 59 -2.036 0.401 -14.176 365 HB3 GLN 59 1HB GLN 59 -3.235 1.672 -14.373 366 HG2 GLN 59 2HG GLN 59 -1.589 3.348 -14.493 367 HG3 GLN 59 1HG GLN 59 -0.331 2.263 -13.903 368 HE21 GLN 59 1HE2 GLN 59 -1.652 3.677 -16.593 369 HE22 GLN 59 2HE2 GLN 59 -0.984 2.644 -17.805 370 H THR 60 H THR 60 -4.046 -0.376 -12.757 371 HA THR 60 HA THR 60 -6.499 0.938 -12.451 372 HB THR 60 HB THR 60 -5.868 -1.984 -11.996 373 HG1 THR 60 1HG THR 60 -5.279 -1.231 -14.072 374 HG21 THR 60 3HG2 THR 60 -8.441 -0.516 -12.324 375 HG22 THR 60 1HG2 THR 60 -8.025 -1.828 -11.221 376 HG23 THR 60 2HG2 THR 60 -8.275 -2.162 -12.934 377 HA PRO 61 HA PRO 61 -6.239 1.697 -8.012 378 HB2 PRO 61 2HB PRO 61 -9.111 2.324 -8.461 379 HB3 PRO 61 1HB PRO 61 -7.860 3.281 -7.659 380 HG2 PRO 61 2HG PRO 61 -8.722 3.928 -10.096 381 HG3 PRO 61 1HG PRO 61 -7.011 4.090 -9.657 382 HD2 PRO 61 2HD PRO 61 -8.357 1.998 -11.313 383 HD3 PRO 61 1HD PRO 61 -6.757 2.741 -11.513 384 H LYS 62 H LYS 62 -6.515 0.282 -6.411 385 HA LYS 62 HA LYS 62 -8.838 -1.506 -6.449 386 HB2 LYS 62 2HB LYS 62 -5.999 -2.430 -5.956 387 HB3 LYS 62 1HB LYS 62 -7.443 -3.432 -5.871 388 HG2 LYS 62 2HG LYS 62 -7.384 -2.164 -8.415 389 HG3 LYS 62 1HG LYS 62 -5.803 -2.883 -8.109 390 HD2 LYS 62 2HD LYS 62 -7.431 -4.877 -7.272 391 HD3 LYS 62 1HD LYS 62 -8.417 -4.166 -8.552 392 HE2 LYS 62 2HE LYS 62 -6.271 -4.279 -9.970 393 HE3 LYS 62 1HE LYS 62 -5.687 -5.394 -8.737 394 HZ1 LYS 62 3HZ LYS 62 -7.731 -5.775 -10.765 395 HZ2 LYS 62 1HZ LYS 62 -8.073 -6.441 -9.246 396 HZ3 LYS 62 2HZ LYS 62 -6.671 -6.895 -10.072 397 H VAL 63 H VAL 63 -9.562 -2.163 -4.418 398 HA VAL 63 HA VAL 63 -8.137 -1.070 -2.095 399 HB VAL 63 HB VAL 63 -11.117 -0.790 -2.520 400 HG11 VAL 63 1HG1 VAL 63 -9.310 0.215 -0.323 401 HG12 VAL 63 2HG1 VAL 63 -10.526 -1.052 -0.180 402 HG13 VAL 63 3HG1 VAL 63 -11.020 0.610 -0.499 403 HG21 VAL 63 3HG2 VAL 63 -10.776 1.529 -2.895 404 HG22 VAL 63 1HG2 VAL 63 -9.670 0.671 -3.969 405 HG23 VAL 63 2HG2 VAL 63 -9.063 1.410 -2.487 406 H CYS 64 H CYS 64 -8.586 -2.098 -0.100 407 HA CYS 64 HA CYS 64 -9.511 -4.859 -0.429 408 HB2 CYS 64 2HB CYS 64 -7.526 -3.511 1.308 409 HB3 CYS 64 1HB CYS 64 -8.417 -4.842 2.037 410 H CYS 65 H CYS 65 -11.401 -5.469 0.358 411 HA CYS 65 HA CYS 65 -12.649 -3.848 2.475 412 HB2 CYS 65 2HB CYS 65 -13.803 -5.225 0.073 413 HB3 CYS 65 1HB CYS 65 -14.806 -4.959 1.494 414 HA PRO 66 HA PRO 66 -11.889 -7.561 4.927 415 HB2 PRO 66 2HB PRO 66 -13.953 -6.203 6.602 416 HB3 PRO 66 1HB PRO 66 -12.395 -6.891 7.074 417 HG2 PRO 66 2HG PRO 66 -12.710 -4.254 6.854 418 HG3 PRO 66 1HG PRO 66 -11.206 -5.042 6.343 419 HD2 PRO 66 2HD PRO 66 -13.426 -3.944 4.689 420 HD3 PRO 66 1HD PRO 66 -11.686 -4.004 4.350 Start of MODEL 18 1 H GLN 11 H GLN 11 -10.645 -10.217 -5.507 2 HA GLN 11 HA GLN 11 -9.488 -12.914 -5.470 3 HB2 GLN 11 2HB GLN 11 -8.427 -10.419 -6.510 4 HB3 GLN 11 1HB GLN 11 -7.452 -11.018 -5.176 5 HG2 GLN 11 2HG GLN 11 -7.823 -13.281 -6.640 6 HG3 GLN 11 1HG GLN 11 -7.760 -12.044 -7.896 7 HE21 GLN 11 1HE2 GLN 11 -5.891 -14.231 -6.892 8 HE22 GLN 11 2HE2 GLN 11 -4.371 -13.428 -6.729 9 H ALA 12 H ALA 12 -9.070 -13.581 -3.456 10 HA ALA 12 HA ALA 12 -9.893 -11.984 -1.226 11 HB1 ALA 12 3HB ALA 12 -10.326 -14.318 -1.108 12 HB2 ALA 12 1HB ALA 12 -9.103 -13.958 0.110 13 HB3 ALA 12 2HB ALA 12 -8.635 -14.712 -1.414 14 H CYS 13 H CYS 13 -8.699 -10.547 -0.173 15 HA CYS 13 HA CYS 13 -5.766 -10.855 -0.228 16 HB2 CYS 13 2HB CYS 13 -5.551 -8.442 -0.179 17 HB3 CYS 13 1HB CYS 13 -6.565 -8.909 -1.539 18 H THR 14 H THR 14 -4.670 -9.714 1.622 19 HA THR 14 HA THR 14 -6.141 -10.312 4.093 20 HB THR 14 HB THR 14 -4.117 -11.589 3.896 21 HG1 THR 14 1HG THR 14 -3.568 -9.426 5.638 22 HG21 THR 14 3HG2 THR 14 -3.007 -9.139 2.819 23 HG22 THR 14 1HG2 THR 14 -2.458 -10.806 2.652 24 HG23 THR 14 2HG2 THR 14 -1.989 -9.861 4.064 25 H LEU 15 H LEU 15 -6.965 -8.631 5.120 26 HA LEU 15 HA LEU 15 -6.417 -5.950 4.548 27 HB2 LEU 15 2HB LEU 15 -7.505 -5.591 6.874 28 HB3 LEU 15 1HB LEU 15 -8.463 -6.266 5.570 29 HG LEU 15 HG LEU 15 -7.113 -8.267 7.252 30 HD11 LEU 15 1HD1 LEU 15 -7.601 -6.861 9.067 31 HD12 LEU 15 2HD1 LEU 15 -8.941 -8.005 9.002 32 HD13 LEU 15 3HD1 LEU 15 -9.147 -6.369 8.380 33 HD21 LEU 15 3HD2 LEU 15 -8.943 -8.462 5.381 34 HD22 LEU 15 1HD2 LEU 15 -10.040 -8.124 6.720 35 HD23 LEU 15 2HD2 LEU 15 -8.971 -9.525 6.786 36 HA PRO 16 HA PRO 16 -2.817 -4.649 6.709 37 HB2 PRO 16 2HB PRO 16 -3.869 -2.732 8.465 38 HB3 PRO 16 1HB PRO 16 -3.303 -2.438 6.818 39 HG2 PRO 16 2HG PRO 16 -6.078 -2.858 7.824 40 HG3 PRO 16 1HG PRO 16 -5.498 -1.794 6.529 41 HD2 PRO 16 2HD PRO 16 -6.752 -4.086 5.971 42 HD3 PRO 16 1HD PRO 16 -5.383 -3.529 4.986 43 H ASN 17 H ASN 17 -5.626 -5.563 8.571 44 HA ASN 17 HA ASN 17 -4.100 -5.936 11.008 45 HB2 ASN 17 2HB ASN 17 -6.835 -5.549 10.379 46 HB3 ASN 17 1HB ASN 17 -6.704 -7.128 11.147 47 HD21 ASN 17 1HD2 ASN 17 -6.181 -3.702 11.522 48 HD22 ASN 17 2HD2 ASN 17 -6.065 -3.709 13.245 49 H ASN 18 H ASN 18 -4.692 -7.712 8.215 50 HA ASN 18 HA ASN 18 -4.251 -9.850 7.598 51 HB2 ASN 18 2HB ASN 18 -2.709 -9.581 10.135 52 HB3 ASN 18 1HB ASN 18 -2.924 -11.198 9.473 53 HD21 ASN 18 1HD2 ASN 18 -1.692 -7.983 8.804 54 HD22 ASN 18 2HD2 ASN 18 -0.564 -8.465 7.587 55 H ASP 19 H ASP 19 -6.499 -10.312 7.630 56 HA ASP 19 HA ASP 19 -7.164 -12.448 9.463 57 HB2 ASP 19 2HB ASP 19 -8.306 -9.755 9.720 58 HB3 ASP 19 1HB ASP 19 -9.515 -11.032 9.615 59 H LYS 20 H LYS 20 -6.750 -11.958 6.548 60 HA LYS 20 HA LYS 20 -7.595 -12.709 4.575 61 HB2 LYS 20 2HB LYS 20 -9.685 -14.069 6.284 62 HB3 LYS 20 1HB LYS 20 -9.275 -14.467 4.621 63 HG2 LYS 20 2HG LYS 20 -7.643 -15.814 5.274 64 HG3 LYS 20 1HG LYS 20 -6.930 -14.556 6.284 65 HD2 LYS 20 2HD LYS 20 -9.378 -15.729 7.385 66 HD3 LYS 20 1HD LYS 20 -8.048 -16.877 7.204 67 HE2 LYS 20 2HE LYS 20 -7.286 -14.282 8.344 68 HE3 LYS 20 1HE LYS 20 -8.400 -15.218 9.336 69 HZ1 LYS 20 3HZ LYS 20 -6.498 -16.143 10.060 70 HZ2 LYS 20 1HZ LYS 20 -5.624 -15.745 8.667 71 HZ3 LYS 20 2HZ LYS 20 -6.642 -17.096 8.670 72 H GLY 21 H GLY 21 -8.995 -11.998 3.004 73 HA2 GLY 21 2HA GLY 21 -11.593 -10.982 3.545 74 HA3 GLY 21 1HA GLY 21 -10.436 -9.667 3.426 75 H THR 22 H THR 22 -11.886 -9.072 1.617 76 HA THR 22 HA THR 22 -11.126 -10.498 -0.848 77 HB THR 22 HB THR 22 -13.648 -8.883 -0.430 78 HG1 THR 22 1HG THR 22 -14.690 -10.823 -0.149 79 HG21 THR 22 3HG2 THR 22 -12.458 -10.118 -2.744 80 HG22 THR 22 1HG2 THR 22 -13.861 -9.057 -2.624 81 HG23 THR 22 2HG2 THR 22 -14.048 -10.796 -2.396 82 H CYS 23 H CYS 23 -10.564 -9.261 -2.654 83 HA CYS 23 HA CYS 23 -10.070 -6.411 -2.086 84 HB2 CYS 23 2HB CYS 23 -8.144 -8.272 -2.481 85 HB3 CYS 23 1HB CYS 23 -8.402 -7.734 -4.135 86 H LYS 24 H LYS 24 -11.135 -5.047 -3.324 87 HA LYS 24 HA LYS 24 -11.630 -5.678 -6.128 88 HB2 LYS 24 2HB LYS 24 -14.014 -4.908 -5.889 89 HB3 LYS 24 1HB LYS 24 -13.662 -6.465 -5.151 90 HG2 LYS 24 2HG LYS 24 -13.719 -5.567 -2.977 91 HG3 LYS 24 1HG LYS 24 -13.658 -3.909 -3.579 92 HD2 LYS 24 2HD LYS 24 -15.886 -3.947 -3.300 93 HD3 LYS 24 1HD LYS 24 -15.899 -4.863 -4.809 94 HE2 LYS 24 2HE LYS 24 -15.483 -6.882 -3.135 95 HE3 LYS 24 1HE LYS 24 -16.288 -5.785 -2.013 96 HZ1 LYS 24 3HZ LYS 24 -17.877 -7.237 -3.088 97 HZ2 LYS 24 1HZ LYS 24 -17.373 -6.714 -4.618 98 HZ3 LYS 24 2HZ LYS 24 -18.144 -5.636 -3.566 99 H SER 25 H SER 25 -12.608 -3.712 -7.259 100 HA SER 25 HA SER 25 -10.921 -1.506 -6.889 101 HB2 SER 25 2HB SER 25 -11.949 -1.961 -9.047 102 HB3 SER 25 1HB SER 25 -13.555 -1.690 -8.371 103 HG SER 25 HG SER 25 -11.477 0.229 -8.618 104 H LEU 26 H LEU 26 -12.022 0.813 -6.784 105 HA LEU 26 HA LEU 26 -13.343 0.896 -4.178 106 HB2 LEU 26 2HB LEU 26 -12.658 3.179 -4.044 107 HB3 LEU 26 1HB LEU 26 -11.285 2.231 -4.581 108 HG LEU 26 HG LEU 26 -12.596 3.132 -6.917 109 HD11 LEU 26 1HD1 LEU 26 -13.539 4.801 -5.146 110 HD12 LEU 26 2HD1 LEU 26 -12.945 5.392 -6.699 111 HD13 LEU 26 3HD1 LEU 26 -11.931 5.519 -5.260 112 HD21 LEU 26 3HD2 LEU 26 -10.079 4.196 -5.648 113 HD22 LEU 26 1HD2 LEU 26 -10.504 4.208 -7.360 114 HD23 LEU 26 2HD2 LEU 26 -10.176 2.679 -6.544 115 H LEU 27 H LEU 27 -14.887 0.087 -6.439 116 HA LEU 27 HA LEU 27 -16.860 2.265 -6.466 117 HB2 LEU 27 2HB LEU 27 -16.200 0.506 -8.827 118 HB3 LEU 27 1HB LEU 27 -17.404 1.778 -8.786 119 HG LEU 27 HG LEU 27 -14.638 2.597 -8.131 120 HD11 LEU 27 1HD1 LEU 27 -15.402 1.357 -10.713 121 HD12 LEU 27 2HD1 LEU 27 -13.840 1.408 -9.895 122 HD13 LEU 27 3HD1 LEU 27 -14.426 2.824 -10.767 123 HD21 LEU 27 3HD2 LEU 27 -16.270 3.949 -10.180 124 HD22 LEU 27 1HD2 LEU 27 -15.355 4.619 -8.830 125 HD23 LEU 27 2HD2 LEU 27 -16.949 3.914 -8.553 126 H GLN 28 H GLN 28 -16.727 -0.016 -4.750 127 HA GLN 28 HA GLN 28 -19.364 -1.075 -5.219 128 HB2 GLN 28 2HB GLN 28 -16.956 -2.900 -5.253 129 HB3 GLN 28 1HB GLN 28 -18.610 -3.460 -5.046 130 HG2 GLN 28 2HG GLN 28 -19.067 -2.244 -7.268 131 HG3 GLN 28 1HG GLN 28 -17.314 -2.268 -7.462 132 HE21 GLN 28 1HE2 GLN 28 -19.794 -3.711 -8.653 133 HE22 GLN 28 2HE2 GLN 28 -19.269 -5.354 -8.743 134 H CYS 29 H CYS 29 -16.382 -1.263 -3.326 135 HA CYS 29 HA CYS 29 -17.343 -2.420 -1.008 136 HB2 CYS 29 2HB CYS 29 -15.135 -0.508 -1.625 137 HB3 CYS 29 1HB CYS 29 -15.536 -0.810 0.059 138 H ASP 30 H ASP 30 -18.505 -1.747 0.722 139 HA ASP 30 HA ASP 30 -20.230 0.443 0.493 140 HB2 ASP 30 2HB ASP 30 -19.498 -1.442 2.685 141 HB3 ASP 30 1HB ASP 30 -20.388 0.017 3.113 142 H VAL 31 H VAL 31 -17.211 0.067 2.284 143 HA VAL 31 HA VAL 31 -17.283 2.630 3.503 144 HB VAL 31 HB VAL 31 -14.770 1.081 2.895 145 HG11 VAL 31 1HG1 VAL 31 -15.438 2.810 5.267 146 HG12 VAL 31 2HG1 VAL 31 -14.649 3.419 3.813 147 HG13 VAL 31 3HG1 VAL 31 -13.859 2.182 4.792 148 HG21 VAL 31 3HG2 VAL 31 -15.350 0.308 5.402 149 HG22 VAL 31 1HG2 VAL 31 -15.802 -0.621 3.973 150 HG23 VAL 31 2HG2 VAL 31 -16.981 0.438 4.746 151 H ALA 32 H ALA 32 -15.910 1.382 0.515 152 HA ALA 32 HA ALA 32 -14.478 3.706 -0.210 153 HB1 ALA 32 3HB ALA 32 -13.940 1.642 -1.281 154 HB2 ALA 32 1HB ALA 32 -14.565 2.735 -2.517 155 HB3 ALA 32 2HB ALA 32 -15.591 1.454 -1.872 156 H SER 33 H SER 33 -17.794 2.665 -0.731 157 HA SER 33 HA SER 33 -18.511 4.666 -2.587 158 HB2 SER 33 2HB SER 33 -19.739 2.443 -1.663 159 HB3 SER 33 1HB SER 33 -20.615 3.676 -0.757 160 HG SER 33 HG SER 33 -21.241 4.620 -2.665 161 H LYS 34 H LYS 34 -18.678 4.525 0.937 162 HA LYS 34 HA LYS 34 -20.084 6.945 1.288 163 HB2 LYS 34 2HB LYS 34 -19.468 6.809 3.605 164 HB3 LYS 34 1HB LYS 34 -19.822 5.186 3.035 165 HG2 LYS 34 2HG LYS 34 -17.714 4.469 3.341 166 HG3 LYS 34 1HG LYS 34 -16.998 6.013 2.887 167 HD2 LYS 34 2HD LYS 34 -17.377 6.932 5.025 168 HD3 LYS 34 1HD LYS 34 -18.476 5.626 5.473 169 HE2 LYS 34 2HE LYS 34 -16.794 4.205 5.995 170 HE3 LYS 34 1HE LYS 34 -15.735 4.826 4.728 171 HZ1 LYS 34 3HZ LYS 34 -14.902 5.330 6.951 172 HZ2 LYS 34 1HZ LYS 34 -16.313 6.197 7.300 173 HZ3 LYS 34 2HZ LYS 34 -15.259 6.746 6.096 174 H ILE 35 H ILE 35 -16.692 6.222 0.828 175 HA ILE 35 HA ILE 35 -15.709 8.775 1.616 176 HB ILE 35 HB ILE 35 -14.409 6.795 -0.258 177 HG12 ILE 35 2HG1 ILE 35 -13.664 7.022 2.621 178 HG13 ILE 35 1HG1 ILE 35 -15.139 6.147 2.218 179 HG21 ILE 35 1HG2 ILE 35 -13.653 9.366 0.273 180 HG22 ILE 35 2HG2 ILE 35 -12.571 8.075 -0.247 181 HG23 ILE 35 3HG2 ILE 35 -12.730 8.455 1.468 182 HD11 ILE 35 3HD1 ILE 35 -13.848 4.368 1.932 183 HD12 ILE 35 1HD1 ILE 35 -12.376 5.340 1.969 184 HD13 ILE 35 2HD1 ILE 35 -13.263 5.140 0.457 185 H ILE 36 H ILE 36 -16.752 7.389 -1.447 186 HA ILE 36 HA ILE 36 -15.880 9.508 -3.101 187 HB ILE 36 HB ILE 36 -18.139 7.554 -3.558 188 HG12 ILE 36 2HG1 ILE 36 -15.862 6.567 -3.174 189 HG13 ILE 36 1HG1 ILE 36 -16.549 6.210 -4.754 190 HG21 ILE 36 1HG2 ILE 36 -18.388 9.452 -5.019 191 HG22 ILE 36 2HG2 ILE 36 -17.794 8.080 -5.954 192 HG23 ILE 36 3HG2 ILE 36 -16.686 9.368 -5.480 193 HD11 ILE 36 3HD1 ILE 36 -14.812 7.120 -5.777 194 HD12 ILE 36 1HD1 ILE 36 -14.039 7.267 -4.200 195 HD13 ILE 36 2HD1 ILE 36 -14.974 8.612 -4.851 196 H SER 37 H SER 37 -18.811 8.956 -1.256 197 HA SER 37 HA SER 37 -20.211 11.193 -2.398 198 HB2 SER 37 2HB SER 37 -20.769 9.149 -0.313 199 HB3 SER 37 1HB SER 37 -21.642 10.676 -0.187 200 HG SER 37 HG SER 37 -22.791 9.200 -1.467 201 H LYS 38 H LYS 38 -17.959 10.722 0.165 202 HA LYS 38 HA LYS 38 -18.692 13.181 1.524 203 HB2 LYS 38 2HB LYS 38 -16.869 10.904 2.073 204 HB3 LYS 38 1HB LYS 38 -16.425 12.461 2.759 205 HG2 LYS 38 2HG LYS 38 -19.058 12.316 3.421 206 HG3 LYS 38 1HG LYS 38 -18.578 10.618 3.495 207 HD2 LYS 38 2HD LYS 38 -16.851 12.685 4.785 208 HD3 LYS 38 1HD LYS 38 -18.331 12.168 5.595 209 HE2 LYS 38 2HE LYS 38 -17.527 9.800 5.314 210 HE3 LYS 38 1HE LYS 38 -15.985 10.466 4.777 211 HZ1 LYS 38 3HZ LYS 38 -16.490 9.874 7.299 212 HZ2 LYS 38 1HZ LYS 38 -17.036 11.475 7.300 213 HZ3 LYS 38 2HZ LYS 38 -15.444 11.125 6.853 214 H LYS 39 H LYS 39 -15.717 11.894 0.060 215 HA LYS 39 HA LYS 39 -15.134 14.084 -1.540 216 HB2 LYS 39 2HB LYS 39 -13.204 15.025 -0.118 217 HB3 LYS 39 1HB LYS 39 -14.841 15.532 0.263 218 HG2 LYS 39 2HG LYS 39 -14.500 14.908 2.357 219 HG3 LYS 39 1HG LYS 39 -14.370 13.238 1.804 220 HD2 LYS 39 2HD LYS 39 -12.116 13.219 1.977 221 HD3 LYS 39 1HD LYS 39 -11.958 14.897 1.449 222 HE2 LYS 39 2HE LYS 39 -12.276 15.734 3.576 223 HE3 LYS 39 1HE LYS 39 -13.145 14.301 4.123 224 HZ1 LYS 39 3HZ LYS 39 -10.619 14.813 4.757 225 HZ2 LYS 39 1HZ LYS 39 -10.372 13.893 3.358 226 HZ3 LYS 39 2HZ LYS 39 -11.245 13.246 4.654 227 HA PRO 40 HA PRO 40 -12.314 10.518 -2.009 228 HB2 PRO 40 2HB PRO 40 -12.817 9.991 -4.588 229 HB3 PRO 40 1HB PRO 40 -13.916 9.464 -3.308 230 HG2 PRO 40 2HG PRO 40 -14.150 11.788 -5.169 231 HG3 PRO 40 1HG PRO 40 -15.408 10.680 -4.596 232 HD2 PRO 40 2HD PRO 40 -14.934 13.207 -3.569 233 HD3 PRO 40 1HD PRO 40 -15.778 11.904 -2.709 234 H ARG 41 H ARG 41 -10.984 12.683 -1.720 235 HA ARG 41 HA ARG 41 -8.976 12.687 -3.676 236 HB2 ARG 41 2HB ARG 41 -11.171 14.233 -4.445 237 HB3 ARG 41 1HB ARG 41 -9.996 15.399 -3.854 238 HG2 ARG 41 2HG ARG 41 -8.578 15.047 -5.569 239 HG3 ARG 41 1HG ARG 41 -8.947 13.323 -5.662 240 HD2 ARG 41 2HD ARG 41 -10.579 13.629 -7.180 241 HD3 ARG 41 1HD ARG 41 -11.164 15.098 -6.402 242 HE ARG 41 HE ARG 41 -9.848 16.335 -7.815 243 HH11 ARG 41 1HH1 ARG 41 -8.862 12.991 -7.974 244 HH12 ARG 41 2HH1 ARG 41 -7.802 13.236 -9.320 245 HH21 ARG 41 1HH2 ARG 41 -8.455 16.660 -9.587 246 HH22 ARG 41 2HH2 ARG 41 -7.571 15.320 -10.237 247 H THR 42 H THR 42 -7.836 12.455 -1.698 248 HA THR 42 HA THR 42 -6.886 14.939 -0.639 249 HB THR 42 HB THR 42 -8.066 13.114 1.431 250 HG1 THR 42 1HG THR 42 -9.424 15.276 0.200 251 HG21 THR 42 3HG2 THR 42 -7.528 14.691 2.890 252 HG22 THR 42 1HG2 THR 42 -8.214 15.965 1.882 253 HG23 THR 42 2HG2 THR 42 -6.561 15.418 1.608 254 H ALA 43 H ALA 43 -4.972 14.709 0.583 255 HA ALA 43 HA ALA 43 -3.292 12.616 -0.170 256 HB1 ALA 43 3HB ALA 43 -1.666 13.767 0.889 257 HB2 ALA 43 1HB ALA 43 -2.620 13.975 2.357 258 HB3 ALA 43 2HB ALA 43 -2.898 15.026 0.969 259 H GLN 44 H GLN 44 -5.369 12.983 2.624 260 HA GLN 44 HA GLN 44 -4.275 10.808 4.107 261 HB2 GLN 44 2HB GLN 44 -5.941 12.838 4.737 262 HB3 GLN 44 1HB GLN 44 -7.112 11.542 4.533 263 HG2 GLN 44 2HG GLN 44 -6.690 11.026 6.650 264 HG3 GLN 44 1HG GLN 44 -5.161 10.369 6.067 265 HE21 GLN 44 1HE2 GLN 44 -5.121 11.100 8.575 266 HE22 GLN 44 2HE2 GLN 44 -4.305 12.605 8.811 267 H ASP 45 H ASP 45 -6.732 11.122 1.646 268 HA ASP 45 HA ASP 45 -7.928 8.572 2.035 269 HB2 ASP 45 2HB ASP 45 -8.507 10.803 0.513 270 HB3 ASP 45 1HB ASP 45 -8.050 9.611 -0.699 271 H GLU 46 H GLU 46 -5.249 9.755 0.097 272 HA GLU 46 HA GLU 46 -4.908 7.430 -1.476 273 HB2 GLU 46 2HB GLU 46 -3.907 9.860 -1.703 274 HB3 GLU 46 1HB GLU 46 -2.586 9.168 -0.772 275 HG2 GLU 46 2HG GLU 46 -3.524 7.657 -3.139 276 HG3 GLU 46 1HG GLU 46 -2.633 9.153 -3.423 277 H LYS 47 H LYS 47 -3.517 8.474 1.592 278 HA LYS 47 HA LYS 47 -1.719 6.295 1.834 279 HB2 LYS 47 2HB LYS 47 -1.577 6.964 4.223 280 HB3 LYS 47 1HB LYS 47 -1.339 8.308 3.115 281 HG2 LYS 47 2HG LYS 47 -3.564 9.107 3.518 282 HG3 LYS 47 1HG LYS 47 -3.942 7.685 4.493 283 HD2 LYS 47 2HD LYS 47 -1.595 9.318 5.294 284 HD3 LYS 47 1HD LYS 47 -3.199 9.999 5.578 285 HE2 LYS 47 2HE LYS 47 -3.389 7.360 6.441 286 HE3 LYS 47 1HE LYS 47 -1.803 7.897 6.995 287 HZ1 LYS 47 3HZ LYS 47 -3.237 8.486 8.704 288 HZ2 LYS 47 1HZ LYS 47 -4.456 9.012 7.656 289 HZ3 LYS 47 2HZ LYS 47 -3.052 9.933 7.851 290 H PHE 48 H PHE 48 -5.042 6.825 2.838 291 HA PHE 48 HA PHE 48 -5.232 4.469 4.408 292 HB2 PHE 48 2HB PHE 48 -6.778 6.365 4.694 293 HB3 PHE 48 1HB PHE 48 -7.432 6.068 3.086 294 HD1 PHE 48 1HD PHE 48 -6.781 4.159 6.230 295 HD2 PHE 48 2HD PHE 48 -9.419 4.938 2.982 296 HE1 PHE 48 1HE PHE 48 -8.420 2.596 7.192 297 HE2 PHE 48 2HE PHE 48 -11.065 3.379 3.939 298 HZ PHE 48 HZ PHE 48 -10.566 2.207 6.047 299 H LEU 49 H LEU 49 -6.020 5.227 1.046 300 HA LEU 49 HA LEU 49 -7.098 2.638 0.515 301 HB2 LEU 49 2HB LEU 49 -6.994 3.293 -1.854 302 HB3 LEU 49 1HB LEU 49 -7.790 4.493 -0.856 303 HG LEU 49 HG LEU 49 -5.459 5.650 -0.823 304 HD11 LEU 49 1HD1 LEU 49 -4.873 4.838 -3.495 305 HD12 LEU 49 2HD1 LEU 49 -4.885 3.418 -2.450 306 HD13 LEU 49 3HD1 LEU 49 -3.840 4.786 -2.066 307 HD21 LEU 49 3HD2 LEU 49 -7.316 6.721 -1.822 308 HD22 LEU 49 1HD2 LEU 49 -7.343 5.578 -3.166 309 HD23 LEU 49 2HD2 LEU 49 -6.028 6.744 -3.026 310 H ARG 50 H ARG 50 -3.938 4.154 0.086 311 HA ARG 50 HA ARG 50 -2.781 1.962 -1.304 312 HB2 ARG 50 2HB ARG 50 -0.694 3.057 -1.045 313 HB3 ARG 50 1HB ARG 50 -1.888 4.328 -1.254 314 HG2 ARG 50 2HG ARG 50 -0.601 5.157 0.454 315 HG3 ARG 50 1HG ARG 50 -1.911 4.375 1.337 316 HD2 ARG 50 2HD ARG 50 -0.507 2.954 2.324 317 HD3 ARG 50 1HD ARG 50 0.239 2.524 0.785 318 HE ARG 50 HE ARG 50 1.214 4.415 2.722 319 HH11 ARG 50 1HH1 ARG 50 1.302 3.430 -0.626 320 HH12 ARG 50 2HH1 ARG 50 2.845 4.154 -0.928 321 HH21 ARG 50 1HH2 ARG 50 3.244 5.369 2.325 322 HH22 ARG 50 2HH2 ARG 50 3.948 5.256 0.747 323 H GLU 51 H GLU 51 -3.167 2.772 2.084 324 HA GLU 51 HA GLU 51 -1.401 0.751 3.061 325 HB2 GLU 51 2HB GLU 51 -1.958 2.740 4.388 326 HB3 GLU 51 1HB GLU 51 -3.638 2.226 4.461 327 HG2 GLU 51 2HG GLU 51 -2.782 1.583 6.511 328 HG3 GLU 51 1HG GLU 51 -2.734 0.098 5.562 329 H SER 52 H SER 52 -4.844 0.945 2.395 330 HA SER 52 HA SER 52 -5.174 -1.840 3.263 331 HB2 SER 52 2HB SER 52 -7.434 -0.028 2.456 332 HB3 SER 52 1HB SER 52 -7.467 -1.423 3.532 333 HG SER 52 HG SER 52 -6.463 1.169 4.026 334 H ALA 53 H ALA 53 -3.774 -1.379 0.882 335 HA ALA 53 HA ALA 53 -5.699 -2.353 -1.131 336 HB1 ALA 53 3HB ALA 53 -3.381 -0.481 -1.398 337 HB2 ALA 53 1HB ALA 53 -5.026 -0.323 -2.013 338 HB3 ALA 53 2HB ALA 53 -3.904 -1.452 -2.775 339 H CYS 54 H CYS 54 -5.139 -4.133 -2.342 340 HA CYS 54 HA CYS 54 -2.919 -5.711 -1.286 341 HB2 CYS 54 2HB CYS 54 -3.967 -7.599 -2.463 342 HB3 CYS 54 1HB CYS 54 -5.108 -6.792 -1.395 343 H GLY 55 H GLY 55 -2.434 -3.445 -3.089 344 HA2 GLY 55 2HA GLY 55 -1.112 -2.940 -4.898 345 HA3 GLY 55 1HA GLY 55 -0.452 -4.555 -4.707 346 H PHE 56 H PHE 56 -0.304 -5.153 -6.799 347 HA PHE 56 HA PHE 56 -0.951 -5.960 -8.823 348 HB2 PHE 56 2HB PHE 56 -3.491 -6.181 -7.249 349 HB3 PHE 56 1HB PHE 56 -3.513 -6.506 -8.978 350 HD1 PHE 56 1HD PHE 56 -1.605 -7.431 -5.913 351 HD2 PHE 56 2HD PHE 56 -3.106 -8.648 -9.705 352 HE1 PHE 56 1HE PHE 56 -0.810 -9.720 -5.488 353 HE2 PHE 56 2HE PHE 56 -2.316 -10.940 -9.285 354 HZ PHE 56 HZ PHE 56 -1.166 -11.478 -7.175 355 H ASP 57 H ASP 57 -2.400 -5.482 -10.749 356 HA ASP 57 HA ASP 57 -3.218 -4.014 -12.278 357 HB2 ASP 57 2HB ASP 57 -4.332 -3.039 -9.727 358 HB3 ASP 57 1HB ASP 57 -4.279 -1.844 -11.019 359 H GLY 58 H GLY 58 -2.344 -1.650 -9.773 360 HA2 GLY 58 2HA GLY 58 -0.418 -0.300 -9.697 361 HA3 GLY 58 1HA GLY 58 0.015 -0.867 -11.303 362 H GLN 59 H GLN 59 -2.164 -0.295 -12.800 363 HA GLN 59 HA GLN 59 -2.018 2.594 -12.937 364 HB2 GLN 59 2HB GLN 59 -2.333 0.507 -14.806 365 HB3 GLN 59 1HB GLN 59 -3.818 1.446 -14.869 366 HG2 GLN 59 2HG GLN 59 -2.149 2.212 -16.488 367 HG3 GLN 59 1HG GLN 59 -2.576 3.461 -15.319 368 HE21 GLN 59 1HE2 GLN 59 -0.959 4.520 -14.431 369 HE22 GLN 59 2HE2 GLN 59 0.678 3.976 -14.323 370 H THR 60 H THR 60 -4.382 0.110 -12.199 371 HA THR 60 HA THR 60 -6.442 2.158 -11.800 372 HB THR 60 HB THR 60 -7.105 -0.704 -11.417 373 HG1 THR 60 1HG THR 60 -6.407 0.379 -13.941 374 HG21 THR 60 3HG2 THR 60 -8.396 1.663 -12.702 375 HG22 THR 60 1HG2 THR 60 -8.983 0.645 -11.388 376 HG23 THR 60 2HG2 THR 60 -8.959 0.025 -13.038 377 HA PRO 61 HA PRO 61 -5.878 1.906 -7.411 378 HB2 PRO 61 2HB PRO 61 -8.210 2.990 -6.588 379 HB3 PRO 61 1HB PRO 61 -6.937 3.954 -7.346 380 HG2 PRO 61 2HG PRO 61 -9.437 2.834 -8.554 381 HG3 PRO 61 1HG PRO 61 -8.716 4.442 -8.763 382 HD2 PRO 61 2HD PRO 61 -8.424 2.436 -10.579 383 HD3 PRO 61 1HD PRO 61 -7.202 3.696 -10.324 384 H LYS 62 H LYS 62 -6.260 0.455 -5.820 385 HA LYS 62 HA LYS 62 -8.705 -1.157 -5.924 386 HB2 LYS 62 2HB LYS 62 -5.883 -2.157 -6.055 387 HB3 LYS 62 1HB LYS 62 -7.121 -3.138 -5.284 388 HG2 LYS 62 2HG LYS 62 -8.357 -2.507 -7.605 389 HG3 LYS 62 1HG LYS 62 -6.671 -2.549 -8.124 390 HD2 LYS 62 2HD LYS 62 -6.512 -4.782 -7.850 391 HD3 LYS 62 1HD LYS 62 -7.498 -4.773 -6.386 392 HE2 LYS 62 2HE LYS 62 -9.476 -4.945 -7.555 393 HE3 LYS 62 1HE LYS 62 -8.792 -4.241 -9.020 394 HZ1 LYS 62 3HZ LYS 62 -7.472 -6.308 -9.269 395 HZ2 LYS 62 1HZ LYS 62 -9.142 -6.556 -9.384 396 HZ3 LYS 62 2HZ LYS 62 -8.320 -6.975 -7.966 397 H VAL 63 H VAL 63 -9.235 -2.209 -3.927 398 HA VAL 63 HA VAL 63 -7.725 -1.377 -1.568 399 HB VAL 63 HB VAL 63 -10.697 -0.894 -1.772 400 HG11 VAL 63 1HG1 VAL 63 -10.251 0.437 0.313 401 HG12 VAL 63 2HG1 VAL 63 -8.640 -0.279 0.338 402 HG13 VAL 63 3HG1 VAL 63 -10.065 -1.309 0.481 403 HG21 VAL 63 3HG2 VAL 63 -8.380 0.993 -2.110 404 HG22 VAL 63 1HG2 VAL 63 -10.003 1.541 -1.691 405 HG23 VAL 63 2HG2 VAL 63 -9.723 0.700 -3.216 406 H CYS 64 H CYS 64 -8.362 -2.526 0.382 407 HA CYS 64 HA CYS 64 -9.353 -5.211 -0.257 408 HB2 CYS 64 2HB CYS 64 -7.481 -4.109 1.782 409 HB3 CYS 64 1HB CYS 64 -8.402 -5.547 2.206 410 H CYS 65 H CYS 65 -11.203 -5.973 0.539 411 HA CYS 65 HA CYS 65 -12.529 -4.491 2.705 412 HB2 CYS 65 2HB CYS 65 -13.521 -5.170 -0.002 413 HB3 CYS 65 1HB CYS 65 -14.654 -5.423 1.321 414 HA PRO 66 HA PRO 66 -12.271 -8.570 4.604 415 HB2 PRO 66 2HB PRO 66 -14.389 -7.303 6.284 416 HB3 PRO 66 1HB PRO 66 -12.943 -8.195 6.777 417 HG2 PRO 66 2HG PRO 66 -13.019 -5.543 6.953 418 HG3 PRO 66 1HG PRO 66 -11.543 -6.377 6.433 419 HD2 PRO 66 2HD PRO 66 -13.528 -4.850 4.817 420 HD3 PRO 66 1HD PRO 66 -11.773 -4.998 4.606 Start of MODEL 19 1 H GLN 11 H GLN 11 -12.228 -11.421 -4.577 2 HA GLN 11 HA GLN 11 -10.591 -13.258 -4.607 3 HB2 GLN 11 2HB GLN 11 -9.116 -12.064 -6.250 4 HB3 GLN 11 1HB GLN 11 -8.677 -10.944 -4.968 5 HG2 GLN 11 2HG GLN 11 -6.934 -12.398 -4.843 6 HG3 GLN 11 1HG GLN 11 -8.042 -13.151 -3.698 7 HE21 GLN 11 1HE2 GLN 11 -7.709 -13.139 -7.234 8 HE22 GLN 11 2HE2 GLN 11 -7.726 -14.857 -7.412 9 H ALA 12 H ALA 12 -9.627 -13.738 -2.597 10 HA ALA 12 HA ALA 12 -10.435 -11.932 -0.468 11 HB1 ALA 12 3HB ALA 12 -9.401 -14.021 0.858 12 HB2 ALA 12 1HB ALA 12 -9.778 -14.805 -0.677 13 HB3 ALA 12 2HB ALA 12 -11.051 -13.994 0.234 14 H CYS 13 H CYS 13 -9.082 -10.482 0.354 15 HA CYS 13 HA CYS 13 -6.189 -11.021 0.208 16 HB2 CYS 13 2HB CYS 13 -5.796 -8.675 0.027 17 HB3 CYS 13 1HB CYS 13 -7.072 -9.063 -1.122 18 H THR 14 H THR 14 -4.913 -9.867 1.930 19 HA THR 14 HA THR 14 -6.317 -10.094 4.510 20 HB THR 14 HB THR 14 -4.586 -11.777 4.285 21 HG1 THR 14 1HG THR 14 -3.668 -9.679 5.955 22 HG21 THR 14 3HG2 THR 14 -2.569 -9.578 3.940 23 HG22 THR 14 1HG2 THR 14 -3.190 -10.560 2.613 24 HG23 THR 14 2HG2 THR 14 -2.290 -11.319 3.924 25 H LEU 15 H LEU 15 -6.721 -8.196 5.410 26 HA LEU 15 HA LEU 15 -5.491 -5.780 4.568 27 HB2 LEU 15 2HB LEU 15 -6.698 -4.841 6.615 28 HB3 LEU 15 1HB LEU 15 -7.679 -5.543 5.343 29 HG LEU 15 HG LEU 15 -6.939 -7.447 7.449 30 HD11 LEU 15 1HD1 LEU 15 -8.409 -6.577 9.139 31 HD12 LEU 15 2HD1 LEU 15 -8.820 -5.193 8.127 32 HD13 LEU 15 3HD1 LEU 15 -7.186 -5.362 8.767 33 HD21 LEU 15 3HD2 LEU 15 -9.621 -7.478 7.280 34 HD22 LEU 15 1HD2 LEU 15 -8.564 -8.344 6.166 35 HD23 LEU 15 2HD2 LEU 15 -9.225 -6.773 5.713 36 HA PRO 16 HA PRO 16 -1.894 -5.148 7.014 37 HB2 PRO 16 2HB PRO 16 -3.308 -2.870 8.332 38 HB3 PRO 16 1HB PRO 16 -1.704 -2.920 7.590 39 HG2 PRO 16 2HG PRO 16 -3.754 -1.793 6.318 40 HG3 PRO 16 1HG PRO 16 -2.548 -2.750 5.437 41 HD2 PRO 16 2HD PRO 16 -5.343 -3.447 6.181 42 HD3 PRO 16 1HD PRO 16 -4.391 -3.942 4.768 43 H ASN 17 H ASN 17 -5.002 -5.167 8.633 44 HA ASN 17 HA ASN 17 -3.876 -5.636 11.249 45 HB2 ASN 17 2HB ASN 17 -6.190 -4.537 10.523 46 HB3 ASN 17 1HB ASN 17 -6.745 -6.201 10.669 47 HD21 ASN 17 1HD2 ASN 17 -8.001 -4.779 12.326 48 HD22 ASN 17 2HD2 ASN 17 -7.367 -4.818 13.932 49 H ASN 18 H ASN 18 -4.709 -7.546 8.541 50 HA ASN 18 HA ASN 18 -4.644 -9.777 8.138 51 HB2 ASN 18 2HB ASN 18 -3.286 -9.802 10.839 52 HB3 ASN 18 1HB ASN 18 -3.448 -11.225 9.814 53 HD21 ASN 18 1HD2 ASN 18 -2.238 -7.903 9.802 54 HD22 ASN 18 2HD2 ASN 18 -0.902 -8.208 8.749 55 H ASP 19 H ASP 19 -6.947 -9.800 8.187 56 HA ASP 19 HA ASP 19 -7.981 -11.581 10.227 57 HB2 ASP 19 2HB ASP 19 -8.357 -8.911 10.643 58 HB3 ASP 19 1HB ASP 19 -9.808 -9.322 9.733 59 H LYS 20 H LYS 20 -7.441 -11.488 7.271 60 HA LYS 20 HA LYS 20 -8.357 -12.332 5.372 61 HB2 LYS 20 2HB LYS 20 -10.700 -13.195 7.059 62 HB3 LYS 20 1HB LYS 20 -10.143 -13.906 5.551 63 HG2 LYS 20 2HG LYS 20 -8.385 -14.995 6.552 64 HG3 LYS 20 1HG LYS 20 -8.315 -13.866 7.905 65 HD2 LYS 20 2HD LYS 20 -10.628 -14.798 8.534 66 HD3 LYS 20 1HD LYS 20 -10.238 -16.120 7.433 67 HE2 LYS 20 2HE LYS 20 -8.226 -15.353 9.484 68 HE3 LYS 20 1HE LYS 20 -9.658 -16.235 10.013 69 HZ1 LYS 20 3HZ LYS 20 -8.288 -17.960 9.509 70 HZ2 LYS 20 1HZ LYS 20 -7.460 -17.118 8.296 71 HZ3 LYS 20 2HZ LYS 20 -8.999 -17.748 7.989 72 H GLY 21 H GLY 21 -9.400 -11.398 3.717 73 HA2 GLY 21 2HA GLY 21 -11.934 -10.076 4.048 74 HA3 GLY 21 1HA GLY 21 -10.599 -8.953 3.833 75 H THR 22 H THR 22 -12.185 -8.526 1.954 76 HA THR 22 HA THR 22 -11.373 -10.175 -0.352 77 HB THR 22 HB THR 22 -13.883 -8.505 -0.198 78 HG1 THR 22 1HG THR 22 -13.499 -11.227 0.480 79 HG21 THR 22 3HG2 THR 22 -13.217 -9.117 -2.449 80 HG22 THR 22 1HG2 THR 22 -14.680 -9.977 -1.967 81 HG23 THR 22 2HG2 THR 22 -13.127 -10.813 -1.974 82 H CYS 23 H CYS 23 -10.762 -9.101 -2.259 83 HA CYS 23 HA CYS 23 -10.341 -6.205 -1.938 84 HB2 CYS 23 2HB CYS 23 -8.242 -6.333 -2.974 85 HB3 CYS 23 1HB CYS 23 -8.275 -7.719 -1.897 86 H LYS 24 H LYS 24 -11.245 -4.929 -3.385 87 HA LYS 24 HA LYS 24 -11.745 -5.885 -6.093 88 HB2 LYS 24 2HB LYS 24 -14.093 -4.978 -5.985 89 HB3 LYS 24 1HB LYS 24 -13.820 -6.450 -5.063 90 HG2 LYS 24 2HG LYS 24 -13.533 -5.007 -3.032 91 HG3 LYS 24 1HG LYS 24 -14.081 -3.646 -4.014 92 HD2 LYS 24 2HD LYS 24 -16.115 -4.250 -3.240 93 HD3 LYS 24 1HD LYS 24 -16.028 -5.439 -4.541 94 HE2 LYS 24 2HE LYS 24 -14.921 -6.076 -1.837 95 HE3 LYS 24 1HE LYS 24 -16.653 -6.207 -2.139 96 HZ1 LYS 24 3HZ LYS 24 -15.648 -8.321 -2.522 97 HZ2 LYS 24 1HZ LYS 24 -14.481 -7.657 -3.552 98 HZ3 LYS 24 2HZ LYS 24 -16.106 -7.694 -4.023 99 H SER 25 H SER 25 -12.621 -4.037 -7.477 100 HA SER 25 HA SER 25 -10.836 -1.909 -7.451 101 HB2 SER 25 2HB SER 25 -13.586 -1.706 -8.672 102 HB3 SER 25 1HB SER 25 -12.076 -0.994 -9.244 103 HG SER 25 HG SER 25 -11.382 -3.275 -9.499 104 H LEU 26 H LEU 26 -11.968 0.476 -7.655 105 HA LEU 26 HA LEU 26 -12.944 0.978 -4.942 106 HB2 LEU 26 2HB LEU 26 -12.321 3.303 -5.338 107 HB3 LEU 26 1HB LEU 26 -10.972 2.221 -5.632 108 HG LEU 26 HG LEU 26 -11.949 2.417 -8.139 109 HD11 LEU 26 1HD1 LEU 26 -13.452 4.043 -8.315 110 HD12 LEU 26 2HD1 LEU 26 -12.150 5.180 -7.969 111 HD13 LEU 26 3HD1 LEU 26 -13.167 4.581 -6.659 112 HD21 LEU 26 3HD2 LEU 26 -10.123 3.871 -8.600 113 HD22 LEU 26 1HD2 LEU 26 -9.628 2.817 -7.276 114 HD23 LEU 26 2HD2 LEU 26 -10.110 4.480 -6.944 115 H LEU 27 H LEU 27 -14.695 -0.095 -6.993 116 HA LEU 27 HA LEU 27 -16.788 1.923 -6.815 117 HB2 LEU 27 2HB LEU 27 -16.109 0.573 -9.427 118 HB3 LEU 27 1HB LEU 27 -17.405 1.721 -9.153 119 HG LEU 27 HG LEU 27 -14.502 2.437 -8.793 120 HD11 LEU 27 1HD1 LEU 27 -15.320 1.645 -11.158 121 HD12 LEU 27 2HD1 LEU 27 -14.309 3.081 -10.981 122 HD13 LEU 27 3HD1 LEU 27 -16.050 3.250 -11.202 123 HD21 LEU 27 3HD2 LEU 27 -16.968 4.122 -9.207 124 HD22 LEU 27 1HD2 LEU 27 -15.324 4.716 -8.976 125 HD23 LEU 27 2HD2 LEU 27 -16.147 3.868 -7.667 126 H GLN 28 H GLN 28 -16.205 -0.682 -5.575 127 HA GLN 28 HA GLN 28 -18.640 -2.103 -6.430 128 HB2 GLN 28 2HB GLN 28 -16.105 -3.369 -5.377 129 HB3 GLN 28 1HB GLN 28 -17.566 -4.220 -5.857 130 HG2 GLN 28 2HG GLN 28 -16.650 -2.542 -7.996 131 HG3 GLN 28 1HG GLN 28 -15.350 -3.593 -7.440 132 HE21 GLN 28 1HE2 GLN 28 -18.850 -4.091 -7.640 133 HE22 GLN 28 2HE2 GLN 28 -18.769 -5.482 -8.661 134 H CYS 29 H CYS 29 -16.356 -1.699 -3.724 135 HA CYS 29 HA CYS 29 -18.109 -2.687 -1.744 136 HB2 CYS 29 2HB CYS 29 -15.465 -1.957 -1.810 137 HB3 CYS 29 1HB CYS 29 -16.172 -0.670 -0.840 138 H ASP 30 H ASP 30 -19.913 -1.817 -0.995 139 HA ASP 30 HA ASP 30 -20.870 0.709 -1.714 140 HB2 ASP 30 2HB ASP 30 -21.681 -1.376 0.249 141 HB3 ASP 30 1HB ASP 30 -22.378 0.231 0.432 142 H VAL 31 H VAL 31 -19.140 -0.375 1.151 143 HA VAL 31 HA VAL 31 -19.445 1.966 2.682 144 HB VAL 31 HB VAL 31 -17.467 1.193 3.948 145 HG11 VAL 31 1HG1 VAL 31 -18.514 -0.648 4.924 146 HG12 VAL 31 2HG1 VAL 31 -19.201 -1.187 3.392 147 HG13 VAL 31 3HG1 VAL 31 -19.842 0.250 4.190 148 HG21 VAL 31 3HG2 VAL 31 -15.969 0.250 2.482 149 HG22 VAL 31 1HG2 VAL 31 -17.218 -0.630 1.600 150 HG23 VAL 31 2HG2 VAL 31 -16.695 -1.193 3.188 151 H ALA 32 H ALA 32 -16.924 0.958 0.419 152 HA ALA 32 HA ALA 32 -15.205 3.139 0.777 153 HB1 ALA 32 3HB ALA 32 -14.522 1.116 -0.393 154 HB2 ALA 32 1HB ALA 32 -14.268 2.539 -1.405 155 HB3 ALA 32 2HB ALA 32 -15.646 1.480 -1.703 156 H SER 33 H SER 33 -18.040 2.720 -1.253 157 HA SER 33 HA SER 33 -17.733 5.064 -2.791 158 HB2 SER 33 2HB SER 33 -19.930 3.138 -2.253 159 HB3 SER 33 1HB SER 33 -20.388 4.716 -2.890 160 HG SER 33 HG SER 33 -19.992 3.392 -4.624 161 H LYS 34 H LYS 34 -19.344 4.437 0.286 162 HA LYS 34 HA LYS 34 -20.589 6.979 0.472 163 HB2 LYS 34 2HB LYS 34 -21.136 6.407 2.720 164 HB3 LYS 34 1HB LYS 34 -21.270 4.940 1.762 165 HG2 LYS 34 2HG LYS 34 -19.708 3.889 2.949 166 HG3 LYS 34 1HG LYS 34 -18.634 5.285 2.952 167 HD2 LYS 34 2HD LYS 34 -19.516 6.131 4.897 168 HD3 LYS 34 1HD LYS 34 -21.085 5.364 4.643 169 HE2 LYS 34 2HE LYS 34 -18.840 3.502 4.989 170 HE3 LYS 34 1HE LYS 34 -19.200 4.496 6.400 171 HZ1 LYS 34 3HZ LYS 34 -21.646 3.713 5.708 172 HZ2 LYS 34 1HZ LYS 34 -20.671 2.864 6.800 173 HZ3 LYS 34 2HZ LYS 34 -20.759 2.372 5.185 174 H ILE 35 H ILE 35 -17.423 5.782 1.351 175 HA ILE 35 HA ILE 35 -16.685 7.978 2.999 176 HB ILE 35 HB ILE 35 -14.912 6.072 1.465 177 HG12 ILE 35 2HG1 ILE 35 -16.448 4.993 3.097 178 HG13 ILE 35 1HG1 ILE 35 -14.752 4.823 3.537 179 HG21 ILE 35 1HG2 ILE 35 -13.739 8.118 2.097 180 HG22 ILE 35 2HG2 ILE 35 -13.157 6.736 3.026 181 HG23 ILE 35 3HG2 ILE 35 -14.252 7.902 3.770 182 HD11 ILE 35 3HD1 ILE 35 -15.489 7.118 4.840 183 HD12 ILE 35 1HD1 ILE 35 -15.388 5.508 5.553 184 HD13 ILE 35 2HD1 ILE 35 -16.934 6.113 4.955 185 H ILE 36 H ILE 36 -16.417 7.303 -0.441 186 HA ILE 36 HA ILE 36 -14.776 9.555 -1.050 187 HB ILE 36 HB ILE 36 -16.589 8.000 -2.899 188 HG12 ILE 36 2HG1 ILE 36 -14.846 6.664 -1.632 189 HG13 ILE 36 1HG1 ILE 36 -14.742 6.579 -3.386 190 HG21 ILE 36 1HG2 ILE 36 -14.569 8.838 -4.453 191 HG22 ILE 36 2HG2 ILE 36 -14.631 10.171 -3.301 192 HG23 ILE 36 3HG2 ILE 36 -16.065 9.747 -4.235 193 HD11 ILE 36 3HD1 ILE 36 -12.674 7.100 -1.682 194 HD12 ILE 36 1HD1 ILE 36 -13.129 8.713 -2.232 195 HD13 ILE 36 2HD1 ILE 36 -12.700 7.470 -3.407 196 H SER 37 H SER 37 -18.215 9.011 -0.782 197 HA SER 37 HA SER 37 -18.850 11.610 -1.927 198 HB2 SER 37 2HB SER 37 -20.197 9.282 -2.041 199 HB3 SER 37 1HB SER 37 -20.969 9.991 -0.624 200 HG SER 37 HG SER 37 -21.532 10.507 -3.103 201 H LYS 38 H LYS 38 -18.281 10.198 1.149 202 HA LYS 38 HA LYS 38 -19.861 11.695 2.852 203 HB2 LYS 38 2HB LYS 38 -17.268 10.295 3.074 204 HB3 LYS 38 1HB LYS 38 -17.594 11.504 4.310 205 HG2 LYS 38 2HG LYS 38 -19.932 9.933 4.000 206 HG3 LYS 38 1HG LYS 38 -18.552 8.840 4.131 207 HD2 LYS 38 2HD LYS 38 -19.365 9.257 6.340 208 HD3 LYS 38 1HD LYS 38 -17.838 10.123 6.159 209 HE2 LYS 38 2HE LYS 38 -19.247 11.662 7.212 210 HE3 LYS 38 1HE LYS 38 -19.272 12.140 5.515 211 HZ1 LYS 38 3HZ LYS 38 -21.346 10.535 6.908 212 HZ2 LYS 38 1HZ LYS 38 -21.366 10.933 5.262 213 HZ3 LYS 38 2HZ LYS 38 -21.490 12.151 6.428 214 H LYS 39 H LYS 39 -16.457 12.430 2.153 215 HA LYS 39 HA LYS 39 -16.804 15.102 1.454 216 HB2 LYS 39 2HB LYS 39 -17.231 14.711 4.203 217 HB3 LYS 39 1HB LYS 39 -15.627 15.420 4.073 218 HG2 LYS 39 2HG LYS 39 -17.035 16.995 2.370 219 HG3 LYS 39 1HG LYS 39 -18.260 16.603 3.580 220 HD2 LYS 39 2HD LYS 39 -17.303 18.484 4.503 221 HD3 LYS 39 1HD LYS 39 -16.356 17.208 5.270 222 HE2 LYS 39 2HE LYS 39 -14.632 18.496 4.568 223 HE3 LYS 39 1HE LYS 39 -14.872 17.580 3.081 224 HZ1 LYS 39 3HZ LYS 39 -14.787 20.217 3.139 225 HZ2 LYS 39 1HZ LYS 39 -16.447 20.010 3.387 226 HZ3 LYS 39 2HZ LYS 39 -15.711 19.364 2.008 227 HA PRO 40 HA PRO 40 -12.130 14.301 2.941 228 HB2 PRO 40 2HB PRO 40 -12.453 11.334 3.052 229 HB3 PRO 40 1HB PRO 40 -11.393 12.385 3.996 230 HG2 PRO 40 2HG PRO 40 -13.611 11.393 5.073 231 HG3 PRO 40 1HG PRO 40 -13.100 13.056 5.416 232 HD2 PRO 40 2HD PRO 40 -15.290 12.071 3.653 233 HD3 PRO 40 1HD PRO 40 -15.206 13.548 4.632 234 H ARG 41 H ARG 41 -10.864 14.430 1.200 235 HA ARG 41 HA ARG 41 -10.685 12.423 -0.793 236 HB2 ARG 41 2HB ARG 41 -12.895 13.612 -1.325 237 HB3 ARG 41 1HB ARG 41 -11.906 14.987 -1.795 238 HG2 ARG 41 2HG ARG 41 -10.702 13.378 -3.357 239 HG3 ARG 41 1HG ARG 41 -12.039 12.268 -3.049 240 HD2 ARG 41 2HD ARG 41 -12.134 14.993 -4.319 241 HD3 ARG 41 1HD ARG 41 -12.587 13.445 -5.029 242 HE ARG 41 HE ARG 41 -14.278 13.671 -2.934 243 HH11 ARG 41 1HH1 ARG 41 -13.461 15.808 -5.571 244 HH12 ARG 41 2HH1 ARG 41 -15.022 16.557 -5.612 245 HH21 ARG 41 1HH2 ARG 41 -16.332 14.654 -2.990 246 HH22 ARG 41 2HH2 ARG 41 -16.653 15.902 -4.148 247 H THR 42 H THR 42 -8.489 12.679 -0.285 248 HA THR 42 HA THR 42 -7.178 14.778 -1.785 249 HB THR 42 HB THR 42 -6.094 14.524 0.955 250 HG1 THR 42 1HG THR 42 -8.026 14.869 1.754 251 HG21 THR 42 3HG2 THR 42 -6.189 16.522 -1.176 252 HG22 THR 42 1HG2 THR 42 -4.957 16.215 0.048 253 HG23 THR 42 2HG2 THR 42 -6.384 17.171 0.452 254 H ALA 43 H ALA 43 -4.609 14.477 -0.995 255 HA ALA 43 HA ALA 43 -3.805 12.110 -2.244 256 HB1 ALA 43 3HB ALA 43 -1.898 13.307 -0.340 257 HB2 ALA 43 1HB ALA 43 -2.550 14.393 -1.566 258 HB3 ALA 43 2HB ALA 43 -1.708 12.922 -2.050 259 H GLN 44 H GLN 44 -4.399 12.845 1.130 260 HA GLN 44 HA GLN 44 -3.114 10.660 2.309 261 HB2 GLN 44 2HB GLN 44 -4.425 12.781 3.287 262 HB3 GLN 44 1HB GLN 44 -5.687 11.572 3.478 263 HG2 GLN 44 2HG GLN 44 -3.935 10.162 4.662 264 HG3 GLN 44 1HG GLN 44 -2.959 11.630 4.715 265 HE21 GLN 44 1HE2 GLN 44 -6.377 10.826 5.257 266 HE22 GLN 44 2HE2 GLN 44 -6.498 11.623 6.786 267 H ASP 45 H ASP 45 -6.197 10.923 0.689 268 HA ASP 45 HA ASP 45 -7.258 8.444 1.588 269 HB2 ASP 45 2HB ASP 45 -7.941 10.366 -0.606 270 HB3 ASP 45 1HB ASP 45 -8.696 8.776 -0.580 271 H GLU 46 H GLU 46 -5.289 9.416 -1.152 272 HA GLU 46 HA GLU 46 -5.501 6.978 -2.583 273 HB2 GLU 46 2HB GLU 46 -3.715 9.362 -2.702 274 HB3 GLU 46 1HB GLU 46 -3.211 7.903 -3.542 275 HG2 GLU 46 2HG GLU 46 -5.506 7.938 -4.639 276 HG3 GLU 46 1HG GLU 46 -5.647 9.583 -4.019 277 H LYS 47 H LYS 47 -3.232 8.159 -0.157 278 HA LYS 47 HA LYS 47 -1.420 5.987 -0.392 279 HB2 LYS 47 2HB LYS 47 -0.556 6.742 1.801 280 HB3 LYS 47 1HB LYS 47 -0.705 8.057 0.643 281 HG2 LYS 47 2HG LYS 47 -2.630 8.907 1.715 282 HG3 LYS 47 1HG LYS 47 -2.798 7.461 2.714 283 HD2 LYS 47 2HD LYS 47 -1.872 9.246 4.049 284 HD3 LYS 47 1HD LYS 47 -0.637 8.012 3.795 285 HE2 LYS 47 2HE LYS 47 -0.290 9.725 1.657 286 HE3 LYS 47 1HE LYS 47 -0.679 10.808 2.992 287 HZ1 LYS 47 3HZ LYS 47 1.630 9.042 2.642 288 HZ2 LYS 47 1HZ LYS 47 1.074 9.316 4.216 289 HZ3 LYS 47 2HZ LYS 47 1.560 10.618 3.253 290 H PHE 48 H PHE 48 -4.285 6.580 1.553 291 HA PHE 48 HA PHE 48 -4.034 4.350 3.258 292 HB2 PHE 48 2HB PHE 48 -5.699 6.476 3.191 293 HB3 PHE 48 1HB PHE 48 -6.765 5.236 2.539 294 HD1 PHE 48 2HD PHE 48 -6.764 2.977 3.915 295 HD2 PHE 48 1HD PHE 48 -5.644 6.780 5.462 296 HE1 PHE 48 2HE PHE 48 -7.236 2.184 6.196 297 HE2 PHE 48 1HE PHE 48 -6.112 5.993 7.745 298 HZ PHE 48 HZ PHE 48 -6.910 3.693 8.115 299 H LEU 49 H LEU 49 -5.726 4.789 0.177 300 HA LEU 49 HA LEU 49 -6.754 2.127 0.133 301 HB2 LEU 49 2HB LEU 49 -7.292 2.598 -2.232 302 HB3 LEU 49 1HB LEU 49 -7.889 3.823 -1.131 303 HG LEU 49 HG LEU 49 -5.709 5.098 -1.760 304 HD11 LEU 49 1HD1 LEU 49 -4.381 3.951 -3.142 305 HD12 LEU 49 2HD1 LEU 49 -5.544 4.373 -4.398 306 HD13 LEU 49 3HD1 LEU 49 -5.661 2.818 -3.575 307 HD21 LEU 49 3HD2 LEU 49 -7.728 6.093 -2.339 308 HD22 LEU 49 1HD2 LEU 49 -8.181 4.775 -3.419 309 HD23 LEU 49 2HD2 LEU 49 -6.912 5.906 -3.892 310 H ARG 50 H ARG 50 -3.842 3.685 -0.995 311 HA ARG 50 HA ARG 50 -2.917 1.587 -2.660 312 HB2 ARG 50 2HB ARG 50 -2.114 4.044 -2.507 313 HB3 ARG 50 1HB ARG 50 -1.102 3.477 -1.186 314 HG2 ARG 50 2HG ARG 50 0.355 2.504 -2.567 315 HG3 ARG 50 1HG ARG 50 -0.917 1.826 -3.584 316 HD2 ARG 50 2HD ARG 50 0.367 3.367 -4.898 317 HD3 ARG 50 1HD ARG 50 -1.222 4.073 -4.601 318 HE ARG 50 HE ARG 50 0.511 4.974 -2.607 319 HH11 ARG 50 1HH1 ARG 50 0.081 5.283 -6.057 320 HH12 ARG 50 2HH1 ARG 50 0.791 6.861 -6.130 321 HH21 ARG 50 1HH2 ARG 50 1.445 7.049 -2.701 322 HH22 ARG 50 2HH2 ARG 50 1.566 7.864 -4.226 323 H GLU 51 H GLU 51 -2.645 2.272 0.770 324 HA GLU 51 HA GLU 51 -0.678 0.284 1.320 325 HB2 GLU 51 2HB GLU 51 -1.722 2.375 2.726 326 HB3 GLU 51 1HB GLU 51 -2.525 1.015 3.498 327 HG2 GLU 51 2HG GLU 51 -0.713 0.818 4.756 328 HG3 GLU 51 1HG GLU 51 0.104 0.198 3.322 329 H SER 52 H SER 52 -4.172 0.342 1.196 330 HA SER 52 HA SER 52 -4.225 -2.518 1.903 331 HB2 SER 52 2HB SER 52 -6.517 -0.543 2.028 332 HB3 SER 52 1HB SER 52 -6.532 -2.213 2.595 333 HG SER 52 HG SER 52 -5.984 -1.295 4.415 334 H ALA 53 H ALA 53 -3.455 -1.927 -0.641 335 HA ALA 53 HA ALA 53 -5.859 -2.346 -2.283 336 HB1 ALA 53 3HB ALA 53 -3.294 -0.963 -2.756 337 HB2 ALA 53 1HB ALA 53 -4.916 -0.581 -3.333 338 HB3 ALA 53 2HB ALA 53 -3.977 -1.848 -4.122 339 H CYS 54 H CYS 54 -5.942 -4.013 -3.778 340 HA CYS 54 HA CYS 54 -4.609 -6.409 -3.046 341 HB2 CYS 54 2HB CYS 54 -6.922 -5.892 -4.330 342 HB3 CYS 54 1HB CYS 54 -5.898 -6.256 -5.713 343 H GLY 55 H GLY 55 -2.394 -5.403 -3.281 344 HA2 GLY 55 2HA GLY 55 -0.530 -6.302 -4.632 345 HA3 GLY 55 1HA GLY 55 -1.438 -5.804 -6.052 346 H PHE 56 H PHE 56 0.677 -4.754 -6.516 347 HA PHE 56 HA PHE 56 0.929 -2.170 -5.126 348 HB2 PHE 56 2HB PHE 56 2.950 -3.872 -6.573 349 HB3 PHE 56 1HB PHE 56 3.250 -2.174 -6.218 350 HD1 PHE 56 1HD PHE 56 2.519 -1.624 -3.622 351 HD2 PHE 56 2HD PHE 56 3.974 -5.323 -5.141 352 HE1 PHE 56 1HE PHE 56 3.307 -2.232 -1.372 353 HE2 PHE 56 2HE PHE 56 4.763 -5.940 -2.893 354 HZ PHE 56 HZ PHE 56 4.430 -4.394 -1.006 355 H ASP 57 H ASP 57 0.201 -3.686 -8.125 356 HA ASP 57 HA ASP 57 0.919 -1.829 -10.024 357 HB2 ASP 57 2HB ASP 57 -1.682 -3.374 -9.936 358 HB3 ASP 57 1HB ASP 57 -0.944 -2.666 -11.370 359 H GLY 58 H GLY 58 0.401 0.215 -10.451 360 HA2 GLY 58 2HA GLY 58 -1.665 1.496 -8.838 361 HA3 GLY 58 1HA GLY 58 -0.458 2.310 -9.823 362 H GLN 59 H GLN 59 -0.984 0.769 -12.213 363 HA GLN 59 HA GLN 59 -2.926 2.375 -13.411 364 HB2 GLN 59 2HB GLN 59 -1.337 0.026 -14.174 365 HB3 GLN 59 1HB GLN 59 -2.868 0.161 -15.028 366 HG2 GLN 59 2HG GLN 59 -2.166 1.886 -16.254 367 HG3 GLN 59 1HG GLN 59 -1.381 2.667 -14.884 368 HE21 GLN 59 1HE2 GLN 59 -0.803 1.467 -17.820 369 HE22 GLN 59 2HE2 GLN 59 0.840 0.963 -17.642 370 H THR 60 H THR 60 -3.189 -0.696 -11.770 371 HA THR 60 HA THR 60 -6.016 -0.913 -12.511 372 HB THR 60 HB THR 60 -4.683 -2.960 -10.808 373 HG1 THR 60 1HG THR 60 -4.205 -2.702 -13.592 374 HG21 THR 60 3HG2 THR 60 -6.567 -4.000 -11.327 375 HG22 THR 60 1HG2 THR 60 -5.917 -4.175 -12.957 376 HG23 THR 60 2HG2 THR 60 -6.967 -2.813 -12.570 377 HA PRO 61 HA PRO 61 -6.557 1.092 -8.445 378 HB2 PRO 61 2HB PRO 61 -9.190 1.694 -8.862 379 HB3 PRO 61 1HB PRO 61 -7.855 2.709 -9.419 380 HG2 PRO 61 2HG PRO 61 -9.475 0.704 -10.938 381 HG3 PRO 61 1HG PRO 61 -8.924 2.311 -11.442 382 HD2 PRO 61 2HD PRO 61 -7.684 0.058 -12.243 383 HD3 PRO 61 1HD PRO 61 -6.794 1.565 -11.939 384 H LYS 62 H LYS 62 -6.543 -0.517 -6.968 385 HA LYS 62 HA LYS 62 -9.028 -2.043 -6.640 386 HB2 LYS 62 2HB LYS 62 -6.240 -3.204 -6.458 387 HB3 LYS 62 1HB LYS 62 -7.724 -4.056 -6.054 388 HG2 LYS 62 2HG LYS 62 -7.205 -2.910 -8.781 389 HG3 LYS 62 1HG LYS 62 -6.727 -4.544 -8.318 390 HD2 LYS 62 2HD LYS 62 -9.143 -4.915 -7.650 391 HD3 LYS 62 1HD LYS 62 -9.504 -3.391 -8.461 392 HE2 LYS 62 2HE LYS 62 -8.915 -4.233 -10.560 393 HE3 LYS 62 1HE LYS 62 -8.016 -5.582 -9.866 394 HZ1 LYS 62 3HZ LYS 62 -9.872 -6.806 -9.616 395 HZ2 LYS 62 1HZ LYS 62 -10.470 -5.811 -10.848 396 HZ3 LYS 62 2HZ LYS 62 -10.850 -5.480 -9.234 397 H VAL 63 H VAL 63 -9.564 -2.574 -4.514 398 HA VAL 63 HA VAL 63 -7.810 -1.543 -2.399 399 HB VAL 63 HB VAL 63 -10.771 -0.965 -2.465 400 HG11 VAL 63 1HG1 VAL 63 -9.836 0.776 -0.719 401 HG12 VAL 63 2HG1 VAL 63 -8.555 -0.425 -0.558 402 HG13 VAL 63 3HG1 VAL 63 -10.230 -0.876 -0.245 403 HG21 VAL 63 3HG2 VAL 63 -9.638 1.464 -2.660 404 HG22 VAL 63 1HG2 VAL 63 -10.177 0.529 -4.054 405 HG23 VAL 63 2HG2 VAL 63 -8.477 0.513 -3.586 406 H CYS 64 H CYS 64 -8.281 -2.393 -0.280 407 HA CYS 64 HA CYS 64 -9.465 -5.071 -0.434 408 HB2 CYS 64 2HB CYS 64 -7.304 -3.836 1.190 409 HB3 CYS 64 1HB CYS 64 -8.267 -5.088 1.965 410 H CYS 65 H CYS 65 -11.360 -5.469 0.459 411 HA CYS 65 HA CYS 65 -12.377 -3.621 2.516 412 HB2 CYS 65 2HB CYS 65 -13.568 -4.650 0.058 413 HB3 CYS 65 1HB CYS 65 -14.589 -4.928 1.464 414 HA PRO 66 HA PRO 66 -12.105 -7.379 4.991 415 HB2 PRO 66 2HB PRO 66 -12.980 -6.250 7.310 416 HB3 PRO 66 1HB PRO 66 -11.323 -6.087 6.718 417 HG2 PRO 66 2HG PRO 66 -13.610 -4.168 6.495 418 HG3 PRO 66 1HG PRO 66 -11.912 -3.845 6.898 419 HD2 PRO 66 2HD PRO 66 -12.909 -3.400 4.431 420 HD3 PRO 66 1HD PRO 66 -11.238 -3.940 4.690 Start of MODEL 20 1 H GLN 11 H GLN 11 -11.977 -12.407 -4.911 2 HA GLN 11 HA GLN 11 -10.152 -13.749 -4.543 3 HB2 GLN 11 2HB GLN 11 -8.891 -12.215 -6.336 4 HB3 GLN 11 1HB GLN 11 -8.208 -11.518 -4.875 5 HG2 GLN 11 2HG GLN 11 -7.776 -14.041 -4.273 6 HG3 GLN 11 1HG GLN 11 -7.867 -14.234 -6.025 7 HE21 GLN 11 1HE2 GLN 11 -5.604 -14.928 -5.622 8 HE22 GLN 11 2HE2 GLN 11 -4.375 -13.715 -5.645 9 H ALA 12 H ALA 12 -9.291 -13.994 -2.492 10 HA ALA 12 HA ALA 12 -10.145 -12.031 -0.552 11 HB1 ALA 12 3HB ALA 12 -8.713 -14.642 -0.088 12 HB2 ALA 12 1HB ALA 12 -10.464 -14.459 -0.192 13 HB3 ALA 12 2HB ALA 12 -9.573 -13.675 1.110 14 H CYS 13 H CYS 13 -8.916 -10.472 0.265 15 HA CYS 13 HA CYS 13 -5.988 -10.739 0.036 16 HB2 CYS 13 2HB CYS 13 -5.834 -8.338 -0.199 17 HB3 CYS 13 1HB CYS 13 -6.965 -8.956 -1.396 18 H THR 14 H THR 14 -4.786 -9.385 1.673 19 HA THR 14 HA THR 14 -6.028 -9.800 4.298 20 HB THR 14 HB THR 14 -3.917 -10.952 3.981 21 HG1 THR 14 1HG THR 14 -3.484 -8.694 5.635 22 HG21 THR 14 3HG2 THR 14 -3.119 -8.589 2.627 23 HG22 THR 14 1HG2 THR 14 -2.257 -10.120 2.793 24 HG23 THR 14 2HG2 THR 14 -2.037 -8.849 3.997 25 H LEU 15 H LEU 15 -6.885 -8.085 5.243 26 HA LEU 15 HA LEU 15 -6.517 -5.433 4.382 27 HB2 LEU 15 2HB LEU 15 -7.601 -4.886 6.635 28 HB3 LEU 15 1HB LEU 15 -8.523 -5.845 5.495 29 HG LEU 15 HG LEU 15 -6.931 -7.431 7.389 30 HD11 LEU 15 1HD1 LEU 15 -9.362 -6.030 8.457 31 HD12 LEU 15 2HD1 LEU 15 -7.732 -5.412 8.720 32 HD13 LEU 15 3HD1 LEU 15 -8.178 -7.006 9.327 33 HD21 LEU 15 3HD2 LEU 15 -9.506 -8.256 7.566 34 HD22 LEU 15 1HD2 LEU 15 -8.361 -8.820 6.349 35 HD23 LEU 15 2HD2 LEU 15 -9.497 -7.528 5.960 36 HA PRO 16 HA PRO 16 -2.950 -3.736 6.314 37 HB2 PRO 16 2HB PRO 16 -4.728 -1.967 7.932 38 HB3 PRO 16 1HB PRO 16 -3.336 -1.547 6.926 39 HG2 PRO 16 2HG PRO 16 -5.810 -1.087 6.066 40 HG3 PRO 16 1HG PRO 16 -4.555 -1.671 4.955 41 HD2 PRO 16 2HD PRO 16 -6.835 -3.146 6.188 42 HD3 PRO 16 1HD PRO 16 -6.100 -3.338 4.584 43 H ASN 17 H ASN 17 -5.616 -4.685 8.374 44 HA ASN 17 HA ASN 17 -4.002 -4.787 10.765 45 HB2 ASN 17 2HB ASN 17 -6.687 -4.528 10.334 46 HB3 ASN 17 1HB ASN 17 -6.569 -6.232 10.764 47 HD21 ASN 17 1HD2 ASN 17 -7.647 -3.795 12.152 48 HD22 ASN 17 2HD2 ASN 17 -6.913 -3.832 13.716 49 H ASN 18 H ASN 18 -4.670 -6.859 8.131 50 HA ASN 18 HA ASN 18 -3.952 -8.952 7.614 51 HB2 ASN 18 2HB ASN 18 -1.992 -8.021 9.261 52 HB3 ASN 18 1HB ASN 18 -2.515 -9.451 10.144 53 HD21 ASN 18 1HD2 ASN 18 -1.286 -8.286 7.073 54 HD22 ASN 18 2HD2 ASN 18 -0.605 -9.790 6.563 55 H ASP 19 H ASP 19 -6.127 -9.653 7.828 56 HA ASP 19 HA ASP 19 -6.437 -11.764 9.751 57 HB2 ASP 19 2HB ASP 19 -7.819 -9.174 10.105 58 HB3 ASP 19 1HB ASP 19 -8.838 -10.603 10.252 59 H LYS 20 H LYS 20 -6.357 -11.380 6.850 60 HA LYS 20 HA LYS 20 -7.351 -12.226 4.990 61 HB2 LYS 20 2HB LYS 20 -9.190 -13.572 6.978 62 HB3 LYS 20 1HB LYS 20 -9.053 -13.983 5.275 63 HG2 LYS 20 2HG LYS 20 -7.598 -15.525 5.968 64 HG3 LYS 20 1HG LYS 20 -6.464 -14.178 6.094 65 HD2 LYS 20 2HD LYS 20 -7.739 -13.999 8.479 66 HD3 LYS 20 1HD LYS 20 -7.796 -15.741 8.204 67 HE2 LYS 20 2HE LYS 20 -5.204 -14.484 7.638 68 HE3 LYS 20 1HE LYS 20 -5.705 -14.415 9.326 69 HZ1 LYS 20 3HZ LYS 20 -5.492 -16.629 9.573 70 HZ2 LYS 20 1HZ LYS 20 -4.428 -16.485 8.264 71 HZ3 LYS 20 2HZ LYS 20 -6.025 -16.985 8.007 72 H GLY 21 H GLY 21 -8.912 -11.624 3.524 73 HA2 GLY 21 2HA GLY 21 -11.440 -10.542 4.337 74 HA3 GLY 21 1HA GLY 21 -10.304 -9.292 3.854 75 H THR 22 H THR 22 -11.535 -8.679 2.076 76 HA THR 22 HA THR 22 -11.391 -10.557 -0.176 77 HB THR 22 HB THR 22 -13.715 -8.677 0.200 78 HG1 THR 22 1HG THR 22 -13.645 -10.200 1.928 79 HG21 THR 22 3HG2 THR 22 -14.854 -10.355 -1.255 80 HG22 THR 22 1HG2 THR 22 -13.277 -11.101 -1.519 81 HG23 THR 22 2HG2 THR 22 -13.564 -9.440 -2.038 82 H CYS 23 H CYS 23 -11.021 -9.646 -2.202 83 HA CYS 23 HA CYS 23 -10.268 -6.797 -2.162 84 HB2 CYS 23 2HB CYS 23 -8.218 -7.838 -2.425 85 HB3 CYS 23 1HB CYS 23 -8.901 -9.200 -3.302 86 H LYS 24 H LYS 24 -11.432 -5.553 -3.441 87 HA LYS 24 HA LYS 24 -12.374 -6.554 -6.013 88 HB2 LYS 24 2HB LYS 24 -14.650 -5.535 -5.543 89 HB3 LYS 24 1HB LYS 24 -14.289 -7.035 -4.701 90 HG2 LYS 24 2HG LYS 24 -13.783 -5.811 -2.673 91 HG3 LYS 24 1HG LYS 24 -14.053 -4.279 -3.510 92 HD2 LYS 24 2HD LYS 24 -16.060 -4.651 -2.383 93 HD3 LYS 24 1HD LYS 24 -16.396 -5.213 -4.020 94 HE2 LYS 24 2HE LYS 24 -17.274 -6.822 -2.480 95 HE3 LYS 24 1HE LYS 24 -15.861 -7.524 -3.266 96 HZ1 LYS 24 3HZ LYS 24 -14.593 -7.320 -1.357 97 HZ2 LYS 24 1HZ LYS 24 -16.105 -7.766 -0.743 98 HZ3 LYS 24 2HZ LYS 24 -15.606 -6.152 -0.668 99 H SER 25 H SER 25 -13.305 -4.749 -7.351 100 HA SER 25 HA SER 25 -11.499 -2.600 -7.462 101 HB2 SER 25 2HB SER 25 -13.185 -1.634 -9.107 102 HB3 SER 25 1HB SER 25 -12.581 -3.248 -9.485 103 HG SER 25 HG SER 25 -15.036 -2.632 -9.405 104 H LEU 26 H LEU 26 -12.615 -0.254 -7.747 105 HA LEU 26 HA LEU 26 -13.664 0.345 -5.087 106 HB2 LEU 26 2HB LEU 26 -12.996 2.597 -5.462 107 HB3 LEU 26 1HB LEU 26 -11.680 1.561 -5.979 108 HG LEU 26 HG LEU 26 -13.547 2.297 -8.128 109 HD11 LEU 26 1HD1 LEU 26 -12.145 4.360 -6.503 110 HD12 LEU 26 2HD1 LEU 26 -13.709 4.430 -7.313 111 HD13 LEU 26 3HD1 LEU 26 -12.224 4.558 -8.254 112 HD21 LEU 26 3HD2 LEU 26 -11.736 1.966 -9.398 113 HD22 LEU 26 1HD2 LEU 26 -11.030 1.251 -7.949 114 HD23 LEU 26 2HD2 LEU 26 -10.703 2.937 -8.350 115 H LEU 27 H LEU 27 -15.415 -0.872 -7.030 116 HA LEU 27 HA LEU 27 -17.485 1.191 -7.070 117 HB2 LEU 27 2HB LEU 27 -17.051 -0.579 -9.461 118 HB3 LEU 27 1HB LEU 27 -18.092 0.826 -9.326 119 HG LEU 27 HG LEU 27 -15.093 1.027 -9.140 120 HD11 LEU 27 1HD1 LEU 27 -16.440 1.811 -11.641 121 HD12 LEU 27 2HD1 LEU 27 -16.281 0.078 -11.355 122 HD13 LEU 27 3HD1 LEU 27 -14.846 1.102 -11.379 123 HD21 LEU 27 3HD2 LEU 27 -16.791 3.205 -10.180 124 HD22 LEU 27 1HD2 LEU 27 -15.383 3.267 -9.118 125 HD23 LEU 27 2HD2 LEU 27 -16.965 2.836 -8.464 126 H GLN 28 H GLN 28 -16.940 -1.212 -5.463 127 HA GLN 28 HA GLN 28 -19.467 -2.617 -5.994 128 HB2 GLN 28 2HB GLN 28 -16.763 -3.783 -5.412 129 HB3 GLN 28 1HB GLN 28 -18.222 -4.651 -4.950 130 HG2 GLN 28 2HG GLN 28 -18.950 -4.380 -7.375 131 HG3 GLN 28 1HG GLN 28 -17.281 -3.907 -7.698 132 HE21 GLN 28 1HE2 GLN 28 -18.502 -6.126 -8.857 133 HE22 GLN 28 2HE2 GLN 28 -17.720 -7.554 -8.276 134 H CYS 29 H CYS 29 -16.912 -2.169 -3.550 135 HA CYS 29 HA CYS 29 -18.511 -2.808 -1.330 136 HB2 CYS 29 2HB CYS 29 -15.849 -2.177 -1.745 137 HB3 CYS 29 1HB CYS 29 -16.433 -0.827 -0.777 138 H ASP 30 H ASP 30 -20.300 -1.783 -0.730 139 HA ASP 30 HA ASP 30 -21.106 0.745 -1.564 140 HB2 ASP 30 2HB ASP 30 -21.982 -1.171 0.523 141 HB3 ASP 30 1HB ASP 30 -22.518 0.494 0.720 142 H VAL 31 H VAL 31 -19.291 -0.233 1.281 143 HA VAL 31 HA VAL 31 -19.390 2.278 2.597 144 HB VAL 31 HB VAL 31 -18.838 0.199 3.787 145 HG11 VAL 31 1HG1 VAL 31 -16.221 0.320 2.291 146 HG12 VAL 31 2HG1 VAL 31 -17.504 -0.862 2.028 147 HG13 VAL 31 3HG1 VAL 31 -16.641 -0.825 3.566 148 HG21 VAL 31 3HG2 VAL 31 -18.083 1.772 5.193 149 HG22 VAL 31 1HG2 VAL 31 -17.249 2.653 3.914 150 HG23 VAL 31 2HG2 VAL 31 -16.480 1.259 4.673 151 H ALA 32 H ALA 32 -17.121 0.801 0.341 152 HA ALA 32 HA ALA 32 -15.139 2.808 0.485 153 HB1 ALA 32 3HB ALA 32 -14.780 0.538 -0.450 154 HB2 ALA 32 1HB ALA 32 -14.223 1.830 -1.514 155 HB3 ALA 32 2HB ALA 32 -15.743 1.002 -1.853 156 H SER 33 H SER 33 -18.029 2.433 -1.480 157 HA SER 33 HA SER 33 -17.492 4.561 -3.267 158 HB2 SER 33 2HB SER 33 -19.509 2.612 -2.939 159 HB3 SER 33 1HB SER 33 -20.320 4.178 -2.915 160 HG SER 33 HG SER 33 -18.492 3.302 -4.903 161 H LYS 34 H LYS 34 -19.144 4.390 -0.163 162 HA LYS 34 HA LYS 34 -20.195 7.027 -0.258 163 HB2 LYS 34 2HB LYS 34 -20.776 6.725 2.046 164 HB3 LYS 34 1HB LYS 34 -21.063 5.205 1.214 165 HG2 LYS 34 2HG LYS 34 -19.347 4.135 2.283 166 HG3 LYS 34 1HG LYS 34 -18.457 5.624 2.591 167 HD2 LYS 34 2HD LYS 34 -20.445 6.228 4.121 168 HD3 LYS 34 1HD LYS 34 -20.830 4.508 4.037 169 HE2 LYS 34 2HE LYS 34 -19.397 4.206 5.712 170 HE3 LYS 34 1HE LYS 34 -18.106 4.580 4.571 171 HZ1 LYS 34 3HZ LYS 34 -17.800 6.615 5.447 172 HZ2 LYS 34 1HZ LYS 34 -18.513 5.930 6.822 173 HZ3 LYS 34 2HZ LYS 34 -19.443 6.866 5.763 174 H ILE 35 H ILE 35 -17.157 5.662 0.824 175 HA ILE 35 HA ILE 35 -16.257 7.969 2.228 176 HB ILE 35 HB ILE 35 -14.596 5.767 0.995 177 HG12 ILE 35 2HG1 ILE 35 -15.232 5.884 3.905 178 HG13 ILE 35 1HG1 ILE 35 -16.488 5.311 2.813 179 HG21 ILE 35 1HG2 ILE 35 -12.958 7.223 1.531 180 HG22 ILE 35 2HG2 ILE 35 -13.216 6.588 3.157 181 HG23 ILE 35 3HG2 ILE 35 -13.971 8.106 2.674 182 HD11 ILE 35 3HD1 ILE 35 -14.259 3.918 2.004 183 HD12 ILE 35 1HD1 ILE 35 -15.555 3.311 3.035 184 HD13 ILE 35 2HD1 ILE 35 -14.094 3.985 3.759 185 H ILE 36 H ILE 36 -15.993 6.860 -1.096 186 HA ILE 36 HA ILE 36 -14.120 8.868 -1.897 187 HB ILE 36 HB ILE 36 -15.960 7.188 -3.606 188 HG12 ILE 36 2HG1 ILE 36 -14.311 5.971 -2.094 189 HG13 ILE 36 1HG1 ILE 36 -14.194 5.618 -3.814 190 HG21 ILE 36 1HG2 ILE 36 -14.398 7.694 -5.424 191 HG22 ILE 36 2HG2 ILE 36 -13.489 8.752 -4.345 192 HG23 ILE 36 3HG2 ILE 36 -15.148 9.158 -4.785 193 HD11 ILE 36 3HD1 ILE 36 -11.993 5.841 -2.916 194 HD12 ILE 36 1HD1 ILE 36 -12.392 7.402 -2.198 195 HD13 ILE 36 2HD1 ILE 36 -12.314 7.232 -3.952 196 H SER 37 H SER 37 -17.610 8.591 -1.811 197 HA SER 37 HA SER 37 -17.913 11.148 -3.196 198 HB2 SER 37 2HB SER 37 -20.268 9.625 -2.183 199 HB3 SER 37 1HB SER 37 -20.080 10.543 -3.676 200 HG SER 37 HG SER 37 -19.422 7.901 -3.108 201 H LYS 38 H LYS 38 -17.335 10.198 -0.116 202 HA LYS 38 HA LYS 38 -19.234 11.499 1.451 203 HB2 LYS 38 2HB LYS 38 -16.646 10.303 1.829 204 HB3 LYS 38 1HB LYS 38 -16.750 11.796 2.750 205 HG2 LYS 38 2HG LYS 38 -18.827 9.627 2.884 206 HG3 LYS 38 1HG LYS 38 -17.438 9.717 3.968 207 HD2 LYS 38 2HD LYS 38 -19.038 12.183 3.691 208 HD3 LYS 38 1HD LYS 38 -19.823 10.834 4.514 209 HE2 LYS 38 2HE LYS 38 -18.598 12.388 6.032 210 HE3 LYS 38 1HE LYS 38 -18.070 10.710 6.132 211 HZ1 LYS 38 3HZ LYS 38 -16.170 12.151 6.094 212 HZ2 LYS 38 1HZ LYS 38 -16.700 12.905 4.676 213 HZ3 LYS 38 2HZ LYS 38 -16.218 11.284 4.641 214 H LYS 39 H LYS 39 -15.949 12.780 1.207 215 HA LYS 39 HA LYS 39 -16.558 15.235 0.026 216 HB2 LYS 39 2HB LYS 39 -17.570 15.085 2.628 217 HB3 LYS 39 1HB LYS 39 -16.096 16.034 2.776 218 HG2 LYS 39 2HG LYS 39 -16.981 17.802 1.729 219 HG3 LYS 39 1HG LYS 39 -17.794 16.806 0.521 220 HD2 LYS 39 2HD LYS 39 -19.206 16.212 2.781 221 HD3 LYS 39 1HD LYS 39 -18.800 17.909 3.043 222 HE2 LYS 39 2HE LYS 39 -19.892 18.586 1.077 223 HE3 LYS 39 1HE LYS 39 -19.954 16.940 0.447 224 HZ1 LYS 39 3HZ LYS 39 -22.106 17.740 1.292 225 HZ2 LYS 39 1HZ LYS 39 -21.439 17.878 2.841 226 HZ3 LYS 39 2HZ LYS 39 -21.565 16.360 2.108 227 HA PRO 40 HA PRO 40 -12.292 15.699 2.379 228 HB2 PRO 40 2HB PRO 40 -11.530 13.351 3.648 229 HB3 PRO 40 1HB PRO 40 -12.190 14.777 4.454 230 HG2 PRO 40 2HG PRO 40 -13.567 12.262 3.622 231 HG3 PRO 40 1HG PRO 40 -13.788 13.230 5.089 232 HD2 PRO 40 2HD PRO 40 -15.540 13.350 3.072 233 HD3 PRO 40 1HD PRO 40 -15.112 14.799 4.004 234 H ARG 41 H ARG 41 -10.492 15.382 1.193 235 HA ARG 41 HA ARG 41 -9.825 12.873 -0.006 236 HB2 ARG 41 2HB ARG 41 -11.617 14.458 -1.447 237 HB3 ARG 41 1HB ARG 41 -10.058 14.761 -2.201 238 HG2 ARG 41 2HG ARG 41 -9.870 12.150 -2.149 239 HG3 ARG 41 1HG ARG 41 -11.628 12.239 -2.036 240 HD2 ARG 41 2HD ARG 41 -11.158 14.003 -4.035 241 HD3 ARG 41 1HD ARG 41 -9.837 12.862 -4.286 242 HE ARG 41 HE ARG 41 -12.374 11.580 -3.937 243 HH11 ARG 41 1HH1 ARG 41 -10.278 13.137 -6.251 244 HH12 ARG 41 2HH1 ARG 41 -10.965 12.320 -7.613 245 HH21 ARG 41 1HH2 ARG 41 -13.282 10.504 -5.728 246 HH22 ARG 41 2HH2 ARG 41 -12.672 10.826 -7.318 247 H THR 42 H THR 42 -7.853 13.220 1.024 248 HA THR 42 HA THR 42 -6.147 15.233 -0.270 249 HB THR 42 HB THR 42 -5.016 15.107 2.184 250 HG1 THR 42 1HG THR 42 -6.499 14.899 3.734 251 HG21 THR 42 3HG2 THR 42 -6.203 17.066 0.737 252 HG22 THR 42 1HG2 THR 42 -5.510 17.276 2.345 253 HG23 THR 42 2HG2 THR 42 -7.244 16.999 2.160 254 H ALA 43 H ALA 43 -3.747 14.703 0.726 255 HA ALA 43 HA ALA 43 -2.873 12.440 -0.620 256 HB1 ALA 43 3HB ALA 43 -1.637 14.540 0.521 257 HB2 ALA 43 1HB ALA 43 -0.797 13.084 -0.015 258 HB3 ALA 43 2HB ALA 43 -1.234 13.276 1.682 259 H GLN 44 H GLN 44 -3.953 12.799 2.693 260 HA GLN 44 HA GLN 44 -2.959 10.413 3.761 261 HB2 GLN 44 2HB GLN 44 -5.405 12.043 4.432 262 HB3 GLN 44 1HB GLN 44 -4.938 10.621 5.352 263 HG2 GLN 44 2HG GLN 44 -2.617 12.092 5.257 264 HG3 GLN 44 1HG GLN 44 -3.872 13.321 5.414 265 HE21 GLN 44 1HE2 GLN 44 -3.077 13.802 7.497 266 HE22 GLN 44 2HE2 GLN 44 -3.441 12.789 8.848 267 H ASP 45 H ASP 45 -5.696 11.035 1.694 268 HA ASP 45 HA ASP 45 -6.991 8.539 2.126 269 HB2 ASP 45 2HB ASP 45 -7.302 10.824 0.280 270 HB3 ASP 45 1HB ASP 45 -7.863 9.274 -0.338 271 H GLU 46 H GLU 46 -4.548 9.690 -0.108 272 HA GLU 46 HA GLU 46 -4.580 7.437 -1.822 273 HB2 GLU 46 2HB GLU 46 -2.377 9.431 -1.278 274 HB3 GLU 46 1HB GLU 46 -2.384 8.273 -2.602 275 HG2 GLU 46 2HG GLU 46 -4.358 9.330 -3.541 276 HG3 GLU 46 1HG GLU 46 -4.410 10.463 -2.192 277 H LYS 47 H LYS 47 -2.610 8.282 0.994 278 HA LYS 47 HA LYS 47 -0.975 5.964 0.850 279 HB2 LYS 47 2HB LYS 47 -0.488 6.535 3.299 280 HB3 LYS 47 1HB LYS 47 -0.041 7.723 2.084 281 HG2 LYS 47 2HG LYS 47 -1.384 9.264 2.952 282 HG3 LYS 47 1HG LYS 47 -2.728 8.131 3.082 283 HD2 LYS 47 2HD LYS 47 -1.048 7.256 5.055 284 HD3 LYS 47 1HD LYS 47 -0.799 9.003 5.102 285 HE2 LYS 47 2HE LYS 47 -3.109 9.407 5.474 286 HE3 LYS 47 1HE LYS 47 -3.527 7.734 5.111 287 HZ1 LYS 47 3HZ LYS 47 -1.959 7.262 7.117 288 HZ2 LYS 47 1HZ LYS 47 -3.564 7.731 7.386 289 HZ3 LYS 47 2HZ LYS 47 -2.314 8.863 7.535 290 H PHE 48 H PHE 48 -3.992 6.721 2.488 291 HA PHE 48 HA PHE 48 -4.115 4.361 4.053 292 HB2 PHE 48 2HB PHE 48 -5.463 6.470 4.413 293 HB3 PHE 48 1HB PHE 48 -6.465 5.975 3.053 294 HD1 PHE 48 2HD PHE 48 -7.668 3.745 3.208 295 HD2 PHE 48 1HD PHE 48 -5.870 5.657 6.559 296 HE1 PHE 48 2HE PHE 48 -9.052 2.386 4.721 297 HE2 PHE 48 1HE PHE 48 -7.252 4.301 8.078 298 HZ PHE 48 HZ PHE 48 -8.845 2.663 7.159 299 H LEU 49 H LEU 49 -5.151 5.175 0.801 300 HA LEU 49 HA LEU 49 -6.628 2.775 0.366 301 HB2 LEU 49 2HB LEU 49 -7.320 4.369 -1.110 302 HB3 LEU 49 1HB LEU 49 -5.731 5.091 -1.247 303 HG LEU 49 HG LEU 49 -5.040 3.237 -2.730 304 HD11 LEU 49 1HD1 LEU 49 -7.411 2.158 -3.629 305 HD12 LEU 49 2HD1 LEU 49 -7.604 2.167 -1.876 306 HD13 LEU 49 3HD1 LEU 49 -6.222 1.351 -2.606 307 HD21 LEU 49 3HD2 LEU 49 -7.513 4.275 -3.984 308 HD22 LEU 49 1HD2 LEU 49 -5.855 4.263 -4.584 309 HD23 LEU 49 2HD2 LEU 49 -6.351 5.459 -3.386 310 H ARG 50 H ARG 50 -3.302 3.771 -0.060 311 HA ARG 50 HA ARG 50 -2.461 1.607 -1.678 312 HB2 ARG 50 2HB ARG 50 -1.241 3.806 -1.252 313 HB3 ARG 50 1HB ARG 50 -0.722 3.106 0.275 314 HG2 ARG 50 2HG ARG 50 0.375 1.285 -0.935 315 HG3 ARG 50 1HG ARG 50 -0.136 2.002 -2.465 316 HD2 ARG 50 2HD ARG 50 1.238 3.893 -2.153 317 HD3 ARG 50 1HD ARG 50 1.505 3.514 -0.452 318 HE ARG 50 HE ARG 50 3.176 2.069 -1.065 319 HH11 ARG 50 1HH1 ARG 50 1.308 2.916 -3.890 320 HH12 ARG 50 2HH1 ARG 50 2.412 2.171 -4.996 321 HH21 ARG 50 1HH2 ARG 50 4.629 1.088 -2.521 322 HH22 ARG 50 2HH2 ARG 50 4.295 1.133 -4.220 323 H GLU 51 H GLU 51 -2.747 2.063 1.788 324 HA GLU 51 HA GLU 51 -1.349 -0.315 2.512 325 HB2 GLU 51 2HB GLU 51 -2.124 1.865 3.894 326 HB3 GLU 51 1HB GLU 51 -3.416 0.760 4.345 327 HG2 GLU 51 2HG GLU 51 -2.070 -0.513 5.613 328 HG3 GLU 51 1HG GLU 51 -0.697 -0.340 4.521 329 H SER 52 H SER 52 -4.694 0.483 1.827 330 HA SER 52 HA SER 52 -5.465 -2.303 2.358 331 HB2 SER 52 2HB SER 52 -7.537 -0.269 1.725 332 HB3 SER 52 1HB SER 52 -7.568 -1.582 2.901 333 HG SER 52 HG SER 52 -6.104 -0.307 4.176 334 H ALA 53 H ALA 53 -3.972 -1.695 0.037 335 HA ALA 53 HA ALA 53 -5.990 -2.070 -2.081 336 HB1 ALA 53 3HB ALA 53 -4.968 -0.211 -2.872 337 HB2 ALA 53 1HB ALA 53 -3.816 -1.394 -3.494 338 HB3 ALA 53 2HB ALA 53 -3.469 -0.528 -1.997 339 H CYS 54 H CYS 54 -6.165 -4.202 -2.380 340 HA CYS 54 HA CYS 54 -4.262 -6.156 -1.872 341 HB2 CYS 54 2HB CYS 54 -5.618 -7.534 -3.556 342 HB3 CYS 54 1HB CYS 54 -6.476 -6.898 -2.158 343 H GLY 55 H GLY 55 -2.237 -5.541 -2.662 344 HA2 GLY 55 2HA GLY 55 -0.595 -6.073 -4.268 345 HA3 GLY 55 1HA GLY 55 -1.851 -6.159 -5.492 346 H PHE 56 H PHE 56 0.132 -4.910 -6.457 347 HA PHE 56 HA PHE 56 -0.573 -2.068 -6.304 348 HB2 PHE 56 2HB PHE 56 2.243 -3.168 -6.253 349 HB3 PHE 56 1HB PHE 56 1.835 -1.468 -6.459 350 HD1 PHE 56 1HD PHE 56 0.134 -0.590 -4.567 351 HD2 PHE 56 2HD PHE 56 2.868 -3.825 -4.154 352 HE1 PHE 56 1HE PHE 56 0.102 -0.300 -2.123 353 HE2 PHE 56 2HE PHE 56 2.841 -3.541 -1.710 354 HZ PHE 56 HZ PHE 56 1.456 -1.777 -0.691 355 H ASP 57 H ASP 57 -1.336 -1.606 -8.259 356 HA ASP 57 HA ASP 57 0.015 -2.768 -10.604 357 HB2 ASP 57 2HB ASP 57 -2.794 -2.409 -9.920 358 HB3 ASP 57 1HB ASP 57 -2.403 -1.718 -11.493 359 H GLY 58 H GLY 58 -2.075 0.075 -10.110 360 HA2 GLY 58 2HA GLY 58 -0.856 2.283 -10.112 361 HA3 GLY 58 1HA GLY 58 -0.041 1.668 -11.543 362 H GLN 59 H GLN 59 -2.072 0.544 -12.968 363 HA GLN 59 HA GLN 59 -3.583 2.916 -13.754 364 HB2 GLN 59 2HB GLN 59 -2.202 1.136 -15.256 365 HB3 GLN 59 1HB GLN 59 -3.814 0.437 -15.348 366 HG2 GLN 59 2HG GLN 59 -3.532 1.876 -17.215 367 HG3 GLN 59 1HG GLN 59 -4.658 2.653 -16.103 368 HE21 GLN 59 1HE2 GLN 59 -1.626 2.844 -17.686 369 HE22 GLN 59 2HE2 GLN 59 -1.161 4.399 -17.096 370 H THR 60 H THR 60 -4.066 -0.421 -12.733 371 HA THR 60 HA THR 60 -6.966 -0.072 -12.798 372 HB THR 60 HB THR 60 -5.508 -2.563 -11.946 373 HG1 THR 60 1HG THR 60 -6.238 -1.897 -14.600 374 HG21 THR 60 3HG2 THR 60 -7.450 -3.706 -12.863 375 HG22 THR 60 1HG2 THR 60 -8.170 -2.152 -13.285 376 HG23 THR 60 2HG2 THR 60 -7.910 -2.573 -11.591 377 HA PRO 61 HA PRO 61 -6.439 1.049 -8.419 378 HB2 PRO 61 2HB PRO 61 -8.969 2.008 -8.112 379 HB3 PRO 61 1HB PRO 61 -7.652 2.959 -8.805 380 HG2 PRO 61 2HG PRO 61 -9.836 1.456 -10.192 381 HG3 PRO 61 1HG PRO 61 -9.187 3.068 -10.547 382 HD2 PRO 61 2HD PRO 61 -8.480 0.882 -11.968 383 HD3 PRO 61 1HD PRO 61 -7.354 2.221 -11.666 384 H LYS 62 H LYS 62 -6.812 -0.198 -6.683 385 HA LYS 62 HA LYS 62 -9.158 -1.955 -6.660 386 HB2 LYS 62 2HB LYS 62 -7.739 -3.824 -5.829 387 HB3 LYS 62 1HB LYS 62 -7.396 -3.367 -7.491 388 HG2 LYS 62 2HG LYS 62 -5.779 -2.161 -5.301 389 HG3 LYS 62 1HG LYS 62 -5.459 -3.825 -5.796 390 HD2 LYS 62 2HD LYS 62 -5.239 -3.010 -8.143 391 HD3 LYS 62 1HD LYS 62 -5.386 -1.360 -7.534 392 HE2 LYS 62 2HE LYS 62 -3.366 -3.050 -6.208 393 HE3 LYS 62 1HE LYS 62 -3.034 -2.631 -7.888 394 HZ1 LYS 62 3HZ LYS 62 -3.891 -0.474 -6.119 395 HZ2 LYS 62 1HZ LYS 62 -2.774 -0.451 -7.390 396 HZ3 LYS 62 2HZ LYS 62 -2.330 -1.082 -5.885 397 H VAL 63 H VAL 63 -9.706 -2.768 -4.539 398 HA VAL 63 HA VAL 63 -8.436 -1.417 -2.278 399 HB VAL 63 HB VAL 63 -11.427 -1.340 -2.673 400 HG11 VAL 63 1HG1 VAL 63 -10.731 -1.337 -0.348 401 HG12 VAL 63 2HG1 VAL 63 -11.354 0.250 -0.800 402 HG13 VAL 63 3HG1 VAL 63 -9.615 -0.007 -0.664 403 HG21 VAL 63 3HG2 VAL 63 -10.347 0.073 -4.341 404 HG22 VAL 63 1HG2 VAL 63 -9.412 0.869 -3.075 405 HG23 VAL 63 2HG2 VAL 63 -11.164 1.052 -3.123 406 H CYS 64 H CYS 64 -8.863 -2.396 -0.243 407 HA CYS 64 HA CYS 64 -9.710 -5.195 -0.485 408 HB2 CYS 64 2HB CYS 64 -7.737 -3.765 1.211 409 HB3 CYS 64 1HB CYS 64 -8.571 -5.132 1.942 410 H CYS 65 H CYS 65 -11.572 -5.824 0.364 411 HA CYS 65 HA CYS 65 -12.740 -4.227 2.543 412 HB2 CYS 65 2HB CYS 65 -13.936 -5.109 -0.032 413 HB3 CYS 65 1HB CYS 65 -14.965 -5.181 1.393 414 HA PRO 66 HA PRO 66 -12.515 -8.281 4.486 415 HB2 PRO 66 2HB PRO 66 -13.694 -7.523 6.835 416 HB3 PRO 66 1HB PRO 66 -11.989 -7.249 6.462 417 HG2 PRO 66 2HG PRO 66 -14.300 -5.359 6.260 418 HG3 PRO 66 1HG PRO 66 -12.662 -5.065 6.876 419 HD2 PRO 66 2HD PRO 66 -13.417 -4.289 4.411 420 HD3 PRO 66 1HD PRO 66 -11.767 -4.850 4.753
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