NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
549668 | 2lji | 17939 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -8.941 0.730 -4.526 2 H2 MET 1 2H MET 1 -7.282 0.947 -4.911 3 H3 MET 1 3H MET 1 -7.820 1.121 -3.290 4 HA MET 1 HA MET 1 -8.516 -1.209 -3.337 5 HB2 MET 1 1HB MET 1 -8.499 -1.123 -5.926 6 HB3 MET 1 2HB MET 1 -6.773 -1.416 -5.783 7 HG2 MET 1 1HG MET 1 -7.944 -3.486 -6.175 8 HG3 MET 1 2HG MET 1 -7.223 -3.487 -4.567 9 HE1 MET 1 3HE MET 1 -10.344 -2.485 -6.523 10 HE2 MET 1 1HE MET 1 -10.669 -1.414 -5.160 11 HE3 MET 1 2HE MET 1 -11.691 -2.824 -5.436 12 H ASN 2 H ASN 2 -7.318 -1.998 -1.748 13 HA ASN 2 HA ASN 2 -4.535 -1.215 -1.493 14 HB2 ASN 2 1HB ASN 2 -6.395 -2.708 0.370 15 HB3 ASN 2 2HB ASN 2 -4.720 -2.320 0.749 16 HD21 ASN 2 2HD2 ASN 2 -4.541 -0.635 2.034 17 HD22 ASN 2 1HD2 ASN 2 -5.565 0.756 2.044 18 H VAL 3 H VAL 3 -2.821 -2.679 -1.250 19 HA VAL 3 HA VAL 3 -3.282 -5.266 -2.558 20 HB VAL 3 HB VAL 3 -0.842 -5.321 -2.945 21 HG11 VAL 3 1HG1 VAL 3 -2.161 -4.469 -4.723 22 HG12 VAL 3 2HG1 VAL 3 -0.769 -3.397 -4.565 23 HG13 VAL 3 3HG1 VAL 3 -2.339 -2.904 -3.933 24 HG21 VAL 3 3HG2 VAL 3 -0.836 -2.531 -1.793 25 HG22 VAL 3 1HG2 VAL 3 0.535 -3.366 -2.523 26 HG23 VAL 3 2HG2 VAL 3 -0.156 -3.959 -1.014 27 H THR 4 H THR 4 -2.719 -7.184 -1.609 28 HA THR 4 HA THR 4 -2.548 -7.198 1.247 29 HB THR 4 HB THR 4 -2.027 -9.650 -0.391 30 HG1 THR 4 HG1 THR 4 -4.553 -8.379 -0.135 31 HG21 THR 4 3HG2 THR 4 -3.740 -10.555 1.261 32 HG22 THR 4 1HG2 THR 4 -3.491 -9.055 2.151 33 HG23 THR 4 2HG2 THR 4 -2.138 -10.154 1.879 34 H VAL 5 H VAL 5 -0.753 -6.794 2.312 35 HA VAL 5 HA VAL 5 1.813 -7.713 1.190 36 HB VAL 5 HB VAL 5 2.868 -5.868 2.486 37 HG11 VAL 5 1HG1 VAL 5 2.085 -5.744 0.047 38 HG12 VAL 5 2HG1 VAL 5 2.461 -4.230 0.871 39 HG13 VAL 5 3HG1 VAL 5 0.782 -4.725 0.658 40 HG21 VAL 5 3HG2 VAL 5 0.296 -4.444 2.752 41 HG22 VAL 5 1HG2 VAL 5 1.726 -4.404 3.780 42 HG23 VAL 5 2HG2 VAL 5 0.587 -5.743 3.906 43 H GLU 6 H GLU 6 3.162 -8.896 2.436 44 HA GLU 6 HA GLU 6 2.106 -9.994 4.892 45 HB2 GLU 6 1HB GLU 6 4.718 -10.538 3.463 46 HB3 GLU 6 2HB GLU 6 4.088 -11.457 4.823 47 HG2 GLU 6 1HG GLU 6 2.105 -12.028 3.416 48 HG3 GLU 6 2HG GLU 6 2.927 -11.264 2.056 49 H VAL 7 H VAL 7 2.392 -9.008 6.778 50 HA VAL 7 HA VAL 7 4.585 -7.126 7.144 51 HB VAL 7 HB VAL 7 2.478 -7.831 9.188 52 HG11 VAL 7 1HG1 VAL 7 2.939 -5.581 10.030 53 HG12 VAL 7 2HG1 VAL 7 4.146 -5.351 8.766 54 HG13 VAL 7 3HG1 VAL 7 4.397 -6.574 10.014 55 HG21 VAL 7 3HG2 VAL 7 1.881 -5.378 7.855 56 HG22 VAL 7 1HG2 VAL 7 0.892 -6.832 8.000 57 HG23 VAL 7 2HG2 VAL 7 2.018 -6.663 6.655 58 H VAL 8 H VAL 8 6.348 -7.470 8.399 59 HA VAL 8 HA VAL 8 6.848 -10.149 9.345 60 HB VAL 8 HB VAL 8 8.592 -7.705 9.705 61 HG11 VAL 8 1HG1 VAL 8 10.405 -9.428 9.785 62 HG12 VAL 8 2HG1 VAL 8 9.147 -10.663 9.858 63 HG13 VAL 8 3HG1 VAL 8 9.288 -9.471 11.149 64 HG21 VAL 8 3HG2 VAL 8 8.048 -8.077 7.331 65 HG22 VAL 8 1HG2 VAL 8 8.653 -9.726 7.466 66 HG23 VAL 8 2HG2 VAL 8 9.751 -8.363 7.681 67 H GLY 9 H GLY 9 6.313 -10.870 11.299 68 HA2 GLY 9 1HA GLY 9 6.250 -10.875 13.641 69 HA3 GLY 9 2HA GLY 9 6.573 -9.144 13.632 70 H GLU 10 H GLU 10 4.300 -8.862 11.596 71 HA GLU 10 HA GLU 10 2.076 -9.051 13.516 72 HB2 GLU 10 1HB GLU 10 3.146 -6.749 12.588 73 HB3 GLU 10 2HB GLU 10 1.934 -7.040 11.349 74 HG2 GLU 10 1HG GLU 10 0.384 -7.414 13.454 75 HG3 GLU 10 2HG GLU 10 1.599 -6.394 14.227 76 H GLU 11 H GLU 11 -0.098 -9.130 12.476 77 HA GLU 11 HA GLU 11 -0.336 -11.302 10.740 78 HB2 GLU 11 1HB GLU 11 -2.052 -9.909 12.315 79 HB3 GLU 11 2HB GLU 11 -2.569 -9.367 10.726 80 HG2 GLU 11 1HG GLU 11 -2.349 -12.097 10.423 81 HG3 GLU 11 2HG GLU 11 -2.978 -11.914 12.060 82 H THR 12 H THR 12 -2.149 -10.702 8.751 83 HA THR 12 HA THR 12 -0.435 -9.251 6.869 84 HB THR 12 HB THR 12 -2.821 -10.934 6.124 85 HG1 THR 12 HG1 THR 12 -1.651 -12.419 7.162 86 HG21 THR 12 3HG2 THR 12 -1.382 -11.384 4.112 87 HG22 THR 12 1HG2 THR 12 -0.332 -10.086 4.680 88 HG23 THR 12 2HG2 THR 12 -2.010 -9.743 4.262 89 H SER 13 H SER 13 -0.942 -7.293 6.218 90 HA SER 13 HA SER 13 -3.750 -6.403 6.361 91 HB2 SER 13 1HB SER 13 -1.287 -4.722 6.893 92 HB3 SER 13 2HB SER 13 -2.958 -4.170 6.968 93 HG SER 13 HG SER 13 -1.615 -5.966 8.681 94 H GLU 14 H GLU 14 -4.256 -4.565 4.902 95 HA GLU 14 HA GLU 14 -2.850 -4.894 2.339 96 HB2 GLU 14 1HB GLU 14 -5.600 -3.722 2.749 97 HB3 GLU 14 2HB GLU 14 -4.872 -4.248 1.239 98 HG2 GLU 14 1HG GLU 14 -4.810 -6.576 2.291 99 HG3 GLU 14 2HG GLU 14 -5.919 -5.918 3.492 100 H VAL 15 H VAL 15 -2.044 -3.169 1.227 101 HA VAL 15 HA VAL 15 -2.235 -0.538 2.545 102 HB VAL 15 HB VAL 15 0.009 -1.483 2.785 103 HG11 VAL 15 1HG1 VAL 15 -0.013 -2.901 0.771 104 HG12 VAL 15 2HG1 VAL 15 1.440 -1.907 0.884 105 HG13 VAL 15 3HG1 VAL 15 0.145 -1.455 -0.225 106 HG21 VAL 15 3HG2 VAL 15 1.289 0.385 1.724 107 HG22 VAL 15 1HG2 VAL 15 -0.103 0.893 2.679 108 HG23 VAL 15 2HG2 VAL 15 -0.204 0.869 0.919 109 H ALA 16 H ALA 16 -2.505 1.270 1.275 110 HA ALA 16 HA ALA 16 -3.641 0.800 -1.345 111 HB1 ALA 16 3HB ALA 16 -4.954 2.342 -0.323 112 HB2 ALA 16 1HB ALA 16 -3.825 3.447 -1.108 113 HB3 ALA 16 2HB ALA 16 -3.619 3.038 0.595 114 H VAL 17 H VAL 17 -2.666 1.117 -3.232 115 HA VAL 17 HA VAL 17 -0.063 2.503 -3.246 116 HB VAL 17 HB VAL 17 0.525 1.096 -5.206 117 HG11 VAL 17 1HG1 VAL 17 0.782 -1.044 -3.888 118 HG12 VAL 17 2HG1 VAL 17 -0.133 -0.257 -2.602 119 HG13 VAL 17 3HG1 VAL 17 1.410 0.415 -3.124 120 HG21 VAL 17 3HG2 VAL 17 -1.275 -1.064 -4.834 121 HG22 VAL 17 1HG2 VAL 17 -1.031 -0.076 -6.274 122 HG23 VAL 17 2HG2 VAL 17 -2.233 0.396 -5.074 123 H ASP 18 H ASP 18 0.550 3.519 -5.283 124 HA ASP 18 HA ASP 18 -1.648 5.067 -6.367 125 HB2 ASP 18 1HB ASP 18 1.273 5.289 -7.105 126 HB3 ASP 18 2HB ASP 18 0.018 6.513 -7.277 127 H ASP 19 H ASP 19 0.627 2.610 -7.449 128 HA ASP 19 HA ASP 19 0.290 2.800 -10.208 129 HB2 ASP 19 1HB ASP 19 1.702 1.141 -8.538 130 HB3 ASP 19 2HB ASP 19 0.493 0.043 -9.194 131 H ASP 20 H ASP 20 -1.782 1.391 -7.768 132 HA ASP 20 HA ASP 20 -3.404 -0.268 -9.270 133 HB2 ASP 20 1HB ASP 20 -3.378 0.631 -6.672 134 HB3 ASP 20 2HB ASP 20 -4.871 1.327 -7.289 135 H GLY 21 H GLY 21 -3.784 3.235 -8.715 136 HA2 GLY 21 1HA GLY 21 -4.745 4.812 -10.128 137 HA3 GLY 21 2HA GLY 21 -5.152 3.514 -11.248 138 H THR 22 H THR 22 -6.057 3.289 -7.891 139 HA THR 22 HA THR 22 -8.871 3.397 -8.674 140 HB THR 22 HB THR 22 -8.948 2.657 -6.073 141 HG1 THR 22 HG1 THR 22 -6.648 2.716 -5.919 142 HG21 THR 22 3HG2 THR 22 -9.667 0.695 -6.835 143 HG22 THR 22 1HG2 THR 22 -8.179 0.386 -7.729 144 HG23 THR 22 2HG2 THR 22 -9.439 1.396 -8.437 145 H TYR 23 H TYR 23 -10.292 4.192 -6.669 146 HA TYR 23 HA TYR 23 -10.041 6.973 -6.561 147 HB2 TYR 23 1HB TYR 23 -11.634 4.997 -4.949 148 HB3 TYR 23 2HB TYR 23 -11.678 6.714 -4.568 149 HD1 TYR 23 HD1 TYR 23 -12.146 4.374 -7.445 150 HD2 TYR 23 HD2 TYR 23 -13.231 8.071 -5.637 151 HE1 TYR 23 HE1 TYR 23 -13.859 4.709 -9.173 152 HE2 TYR 23 HE2 TYR 23 -14.950 8.414 -7.360 153 HH TYR 23 HH TYR 23 -16.068 6.019 -9.356 154 H ALA 24 H ALA 24 -8.842 4.481 -4.383 155 HA ALA 24 HA ALA 24 -8.183 6.066 -2.171 156 HB1 ALA 24 3HB ALA 24 -8.116 3.702 -1.936 157 HB2 ALA 24 1HB ALA 24 -6.468 4.285 -1.704 158 HB3 ALA 24 2HB ALA 24 -6.932 3.541 -3.233 159 H ASP 25 H ASP 25 -6.476 5.488 -5.196 160 HA ASP 25 HA ASP 25 -3.978 6.555 -4.534 161 HB2 ASP 25 1HB ASP 25 -4.338 5.290 -6.584 162 HB3 ASP 25 2HB ASP 25 -5.437 6.519 -7.188 163 H LEU 26 H LEU 26 -6.914 8.135 -5.757 164 HA LEU 26 HA LEU 26 -5.870 10.705 -6.145 165 HB2 LEU 26 1HB LEU 26 -8.317 9.526 -6.470 166 HB3 LEU 26 2HB LEU 26 -8.625 10.583 -5.108 167 HG LEU 26 HG LEU 26 -9.200 11.576 -7.315 168 HD11 LEU 26 1HD1 LEU 26 -7.323 12.803 -5.382 169 HD12 LEU 26 2HD1 LEU 26 -8.968 13.262 -5.823 170 HD13 LEU 26 3HD1 LEU 26 -7.626 13.669 -6.890 171 HD21 LEU 26 3HD2 LEU 26 -7.017 10.468 -8.312 172 HD22 LEU 26 1HD2 LEU 26 -6.318 12.028 -7.879 173 HD23 LEU 26 2HD2 LEU 26 -7.692 11.952 -8.982 174 H VAL 27 H VAL 27 -7.382 9.247 -3.274 175 HA VAL 27 HA VAL 27 -7.241 11.530 -1.628 176 HB VAL 27 HB VAL 27 -7.117 8.667 -0.669 177 HG11 VAL 27 1HG1 VAL 27 -6.849 9.822 1.260 178 HG12 VAL 27 2HG1 VAL 27 -8.603 9.967 1.146 179 HG13 VAL 27 3HG1 VAL 27 -7.572 11.294 0.609 180 HG21 VAL 27 3HG2 VAL 27 -9.048 8.481 -1.846 181 HG22 VAL 27 1HG2 VAL 27 -9.343 10.220 -1.855 182 HG23 VAL 27 2HG2 VAL 27 -9.713 9.269 -0.417 183 H ARG 28 H ARG 28 -5.049 8.720 -1.886 184 HA ARG 28 HA ARG 28 -3.179 9.568 0.017 185 HB2 ARG 28 1HB ARG 28 -3.446 7.383 -1.656 186 HB3 ARG 28 2HB ARG 28 -1.985 8.160 -2.250 187 HG2 ARG 28 1HG ARG 28 -1.749 8.151 0.540 188 HG3 ARG 28 2HG ARG 28 -2.374 6.560 0.102 189 HD2 ARG 28 1HD ARG 28 -0.314 5.962 -0.470 190 HD3 ARG 28 2HD ARG 28 -0.366 7.147 -1.774 191 HE ARG 28 HE ARG 28 0.948 7.429 0.806 192 HH11 ARG 28 1HH1 ARG 28 -0.041 8.964 -2.184 193 HH12 ARG 28 2HH1 ARG 28 1.020 10.316 -1.983 194 HH21 ARG 28 1HH2 ARG 28 2.339 9.214 1.066 195 HH22 ARG 28 2HH2 ARG 28 2.371 10.460 -0.137 196 H ALA 29 H ALA 29 -3.477 10.337 -3.415 197 HA ALA 29 HA ALA 29 -1.013 11.540 -3.876 198 HB1 ALA 29 3HB ALA 29 -2.890 13.040 -5.321 199 HB2 ALA 29 1HB ALA 29 -3.563 11.416 -5.186 200 HB3 ALA 29 2HB ALA 29 -1.958 11.651 -5.880 201 H VAL 30 H VAL 30 -3.761 12.749 -2.093 202 HA VAL 30 HA VAL 30 -2.650 15.448 -1.984 203 HB VAL 30 HB VAL 30 -5.158 14.490 -0.613 204 HG11 VAL 30 1HG1 VAL 30 -5.177 17.184 -1.635 205 HG12 VAL 30 2HG1 VAL 30 -3.785 16.924 -0.583 206 HG13 VAL 30 3HG1 VAL 30 -5.413 16.608 0.016 207 HG21 VAL 30 3HG2 VAL 30 -6.219 15.628 -2.724 208 HG22 VAL 30 1HG2 VAL 30 -5.722 13.934 -2.770 209 HG23 VAL 30 2HG2 VAL 30 -4.688 15.177 -3.476 210 H ASP 31 H ASP 31 -1.413 13.029 -0.633 211 HA ASP 31 HA ASP 31 -0.318 12.541 1.282 212 HB2 ASP 31 1HB ASP 31 0.062 15.162 1.022 213 HB3 ASP 31 2HB ASP 31 -0.896 15.202 2.498 214 H LEU 32 H LEU 32 -2.825 11.590 1.224 215 HA LEU 32 HA LEU 32 -3.725 11.920 4.009 216 HB2 LEU 32 1HB LEU 32 -5.312 11.847 1.478 217 HB3 LEU 32 2HB LEU 32 -6.014 11.183 2.940 218 HG LEU 32 HG LEU 32 -4.983 13.740 3.601 219 HD11 LEU 32 1HD1 LEU 32 -5.030 14.729 1.568 220 HD12 LEU 32 2HD1 LEU 32 -6.742 14.887 1.954 221 HD13 LEU 32 3HD1 LEU 32 -6.192 13.579 0.908 222 HD21 LEU 32 3HD2 LEU 32 -7.594 12.344 3.503 223 HD22 LEU 32 1HD2 LEU 32 -7.621 14.103 3.631 224 HD23 LEU 32 2HD2 LEU 32 -6.782 13.142 4.850 225 H SER 33 H SER 33 -1.866 10.052 3.598 226 HA SER 33 HA SER 33 -3.167 7.519 2.984 227 HB2 SER 33 1HB SER 33 -1.001 6.529 3.015 228 HB3 SER 33 2HB SER 33 -0.811 8.082 2.212 229 HG SER 33 HG SER 33 -0.118 8.899 4.302 230 HA PRO 34 HA PRO 34 -3.988 6.993 7.356 231 HB2 PRO 34 1HB PRO 34 -5.538 4.811 7.153 232 HB3 PRO 34 2HB PRO 34 -6.109 6.407 6.648 233 HG2 PRO 34 1HG PRO 34 -5.094 4.142 4.984 234 HG3 PRO 34 2HG PRO 34 -6.444 5.244 4.670 235 HD2 PRO 34 1HD PRO 34 -3.930 5.488 3.562 236 HD3 PRO 34 2HD PRO 34 -5.082 6.824 3.743 237 H HIS 35 H HIS 35 -2.793 4.397 5.256 238 HA HIS 35 HA HIS 35 -1.948 2.751 7.462 239 HB2 HIS 35 1HB HIS 35 -2.438 2.320 4.752 240 HB3 HIS 35 2HB HIS 35 -0.697 2.119 4.915 241 HD1 HIS 35 HD1 HIS 35 0.037 0.343 6.838 242 HD2 HIS 35 HD2 HIS 35 -3.888 0.140 5.498 243 HE1 HIS 35 HE1 HIS 35 -0.794 -1.926 7.536 244 HE2 HIS 35 HE2 HIS 35 -3.207 -1.979 6.813 245 H GLU 36 H GLU 36 -0.396 4.950 5.173 246 HA GLU 36 HA GLU 36 1.772 5.631 4.925 247 HB2 GLU 36 1HB GLU 36 2.649 6.722 7.003 248 HB3 GLU 36 2HB GLU 36 1.018 7.198 6.556 249 HG2 GLU 36 1HG GLU 36 0.081 5.823 8.280 250 HG3 GLU 36 2HG GLU 36 1.659 5.129 8.646 251 H VAL 37 H VAL 37 2.197 3.183 4.540 252 HA VAL 37 HA VAL 37 4.355 2.364 6.382 253 HB VAL 37 HB VAL 37 3.848 -0.009 5.582 254 HG11 VAL 37 1HG1 VAL 37 2.026 -0.277 7.263 255 HG12 VAL 37 2HG1 VAL 37 1.943 1.481 7.375 256 HG13 VAL 37 3HG1 VAL 37 3.420 0.637 7.839 257 HG21 VAL 37 3HG2 VAL 37 1.468 -0.404 4.965 258 HG22 VAL 37 1HG2 VAL 37 2.387 0.459 3.732 259 HG23 VAL 37 2HG2 VAL 37 1.271 1.339 4.775 260 H THR 38 H THR 38 6.135 1.256 5.455 261 HA THR 38 HA THR 38 6.795 2.198 2.794 262 HB THR 38 HB THR 38 8.620 0.419 4.357 263 HG1 THR 38 HG1 THR 38 8.403 1.670 6.025 264 HG21 THR 38 3HG2 THR 38 9.766 2.885 3.509 265 HG22 THR 38 1HG2 THR 38 8.906 2.145 2.161 266 HG23 THR 38 2HG2 THR 38 10.160 1.240 3.011 267 H VAL 39 H VAL 39 7.022 0.965 0.982 268 HA VAL 39 HA VAL 39 6.182 -1.842 1.208 269 HB VAL 39 HB VAL 39 5.576 -1.728 -1.157 270 HG11 VAL 39 1HG1 VAL 39 3.897 0.340 -0.812 271 HG12 VAL 39 2HG1 VAL 39 4.414 0.093 0.857 272 HG13 VAL 39 3HG1 VAL 39 3.673 -1.232 -0.041 273 HG21 VAL 39 3HG2 VAL 39 5.556 0.517 -2.282 274 HG22 VAL 39 1HG2 VAL 39 7.157 -0.182 -2.041 275 HG23 VAL 39 2HG2 VAL 39 6.586 1.105 -0.978 276 H LEU 40 H LEU 40 7.440 -3.483 0.543 277 HA LEU 40 HA LEU 40 10.142 -2.821 -0.399 278 HB2 LEU 40 1HB LEU 40 8.970 -4.979 1.239 279 HB3 LEU 40 2HB LEU 40 10.208 -5.497 0.106 280 HG LEU 40 HG LEU 40 11.783 -3.894 1.102 281 HD11 LEU 40 1HD1 LEU 40 11.216 -2.746 3.184 282 HD12 LEU 40 2HD1 LEU 40 9.560 -3.340 3.064 283 HD13 LEU 40 3HD1 LEU 40 10.182 -2.214 1.857 284 HD21 LEU 40 3HD2 LEU 40 10.496 -6.064 2.650 285 HD22 LEU 40 1HD2 LEU 40 11.621 -5.013 3.513 286 HD23 LEU 40 2HD2 LEU 40 12.160 -5.902 2.089 287 H VAL 41 H VAL 41 11.041 -3.838 -2.218 288 HA VAL 41 HA VAL 41 9.056 -4.917 -4.087 289 HB VAL 41 HB VAL 41 11.828 -4.176 -4.945 290 HG11 VAL 41 1HG1 VAL 41 9.361 -3.547 -6.470 291 HG12 VAL 41 2HG1 VAL 41 9.824 -5.242 -6.310 292 HG13 VAL 41 3HG1 VAL 41 10.940 -4.087 -7.040 293 HG21 VAL 41 3HG2 VAL 41 10.658 -1.871 -5.486 294 HG22 VAL 41 1HG2 VAL 41 11.456 -2.151 -3.939 295 HG23 VAL 41 2HG2 VAL 41 9.703 -2.286 -4.064 296 H ASP 42 H ASP 42 9.010 -7.040 -4.306 297 HA ASP 42 HA ASP 42 10.899 -8.763 -3.152 298 HB2 ASP 42 1HB ASP 42 8.662 -9.547 -3.395 299 HB3 ASP 42 2HB ASP 42 8.654 -9.194 -5.118 300 H GLY 43 H GLY 43 12.806 -9.277 -3.828 301 HA2 GLY 43 1HA GLY 43 14.682 -9.216 -5.164 302 HA3 GLY 43 2HA GLY 43 13.743 -10.414 -6.024 303 H ARG 44 H ARG 44 13.090 -6.919 -5.889 304 HA ARG 44 HA ARG 44 13.900 -6.724 -8.707 305 HB2 ARG 44 1HB ARG 44 11.260 -5.998 -7.492 306 HB3 ARG 44 2HB ARG 44 11.842 -5.151 -8.918 307 HG2 ARG 44 1HG ARG 44 12.222 -7.706 -9.677 308 HG3 ARG 44 2HG ARG 44 10.822 -7.887 -8.620 309 HD2 ARG 44 1HD ARG 44 9.589 -6.261 -9.899 310 HD3 ARG 44 2HD ARG 44 11.006 -5.912 -10.891 311 HE ARG 44 HE ARG 44 10.536 -7.765 -12.141 312 HH11 ARG 44 1HH1 ARG 44 8.761 -7.989 -9.128 313 HH12 ARG 44 2HH1 ARG 44 7.913 -9.428 -9.591 314 HH21 ARG 44 1HH2 ARG 44 9.418 -9.664 -12.746 315 HH22 ARG 44 2HH2 ARG 44 8.292 -10.383 -11.644 316 HA PRO 45 HA PRO 45 15.945 -3.148 -6.955 317 HB2 PRO 45 1HB PRO 45 17.381 -2.492 -9.142 318 HB3 PRO 45 2HB PRO 45 17.802 -3.865 -8.114 319 HG2 PRO 45 1HG PRO 45 16.382 -3.826 -10.741 320 HG3 PRO 45 2HG PRO 45 17.602 -4.962 -10.143 321 HD2 PRO 45 1HD PRO 45 14.903 -5.465 -10.157 322 HD3 PRO 45 2HD PRO 45 16.050 -6.230 -9.042 323 H VAL 46 H VAL 46 14.420 -3.044 -10.188 324 HA VAL 46 HA VAL 46 13.416 -0.364 -9.531 325 HB VAL 46 HB VAL 46 13.676 0.219 -11.994 326 HG11 VAL 46 1HG1 VAL 46 15.862 0.036 -9.987 327 HG12 VAL 46 2HG1 VAL 46 15.071 1.455 -10.673 328 HG13 VAL 46 3HG1 VAL 46 16.264 0.566 -11.620 329 HG21 VAL 46 3HG2 VAL 46 15.414 -2.231 -11.862 330 HG22 VAL 46 1HG2 VAL 46 15.661 -0.964 -13.064 331 HG23 VAL 46 2HG2 VAL 46 14.137 -1.850 -13.017 332 HA PRO 47 HA PRO 47 9.688 -2.774 -10.531 333 HB2 PRO 47 1HB PRO 47 8.463 -0.198 -9.717 334 HB3 PRO 47 2HB PRO 47 8.118 -1.837 -9.153 335 HG2 PRO 47 1HG PRO 47 9.447 -0.120 -7.614 336 HG3 PRO 47 2HG PRO 47 9.896 -1.836 -7.661 337 HD2 PRO 47 1HD PRO 47 11.205 0.504 -8.998 338 HD3 PRO 47 2HD PRO 47 11.950 -0.891 -8.189 339 H GLU 48 H GLU 48 10.835 0.257 -11.761 340 HA GLU 48 HA GLU 48 8.805 0.948 -13.553 341 HB2 GLU 48 1HB GLU 48 10.679 2.426 -12.961 342 HB3 GLU 48 2HB GLU 48 11.787 1.368 -13.822 343 HG2 GLU 48 1HG GLU 48 10.439 1.830 -15.896 344 HG3 GLU 48 2HG GLU 48 9.599 3.076 -14.973 345 H ASP 49 H ASP 49 11.080 -1.657 -13.673 346 HA ASP 49 HA ASP 49 11.016 -2.039 -16.518 347 HB2 ASP 49 1HB ASP 49 12.119 -3.517 -14.171 348 HB3 ASP 49 2HB ASP 49 11.873 -4.415 -15.664 349 H GLN 50 H GLN 50 8.825 -2.712 -13.998 350 HA GLN 50 HA GLN 50 7.496 -4.831 -15.547 351 HB2 GLN 50 1HB GLN 50 7.172 -4.032 -12.645 352 HB3 GLN 50 2HB GLN 50 6.263 -5.306 -13.449 353 HG2 GLN 50 1HG GLN 50 9.231 -5.437 -13.506 354 HG3 GLN 50 2HG GLN 50 8.399 -5.821 -12.002 355 HE21 GLN 50 2HE2 GLN 50 6.324 -7.259 -12.548 356 HE22 GLN 50 1HE2 GLN 50 6.691 -8.656 -13.493 357 H SER 51 H SER 51 5.055 -4.775 -15.422 358 HA SER 51 HA SER 51 3.907 -2.110 -15.176 359 HB2 SER 51 1HB SER 51 4.711 -2.318 -17.541 360 HB3 SER 51 2HB SER 51 3.616 -3.685 -17.746 361 HG SER 51 HG SER 51 2.847 -1.498 -18.383 362 H VAL 52 H VAL 52 2.638 -2.846 -13.496 363 HA VAL 52 HA VAL 52 0.354 -4.490 -14.282 364 HB VAL 52 HB VAL 52 1.795 -5.087 -11.698 365 HG11 VAL 52 1HG1 VAL 52 0.222 -6.667 -11.312 366 HG12 VAL 52 2HG1 VAL 52 0.023 -7.047 -13.022 367 HG13 VAL 52 3HG1 VAL 52 -0.752 -5.618 -12.341 368 HG21 VAL 52 3HG2 VAL 52 2.030 -6.523 -14.339 369 HG22 VAL 52 1HG2 VAL 52 2.570 -7.178 -12.794 370 HG23 VAL 52 2HG2 VAL 52 3.321 -5.721 -13.443 371 H GLU 53 H GLU 53 -1.540 -3.958 -13.235 372 HA GLU 53 HA GLU 53 -1.828 -1.412 -12.150 373 HB2 GLU 53 1HB GLU 53 -4.089 -2.112 -11.477 374 HB3 GLU 53 2HB GLU 53 -3.707 -2.627 -13.115 375 HG2 GLU 53 1HG GLU 53 -3.007 -4.855 -11.919 376 HG3 GLU 53 2HG GLU 53 -4.068 -4.257 -10.647 377 H VAL 54 H VAL 54 -1.601 -4.541 -10.469 378 HA VAL 54 HA VAL 54 -1.018 -3.060 -7.989 379 HB VAL 54 HB VAL 54 -2.038 -4.869 -6.694 380 HG11 VAL 54 1HG1 VAL 54 -3.344 -2.875 -7.951 381 HG12 VAL 54 2HG1 VAL 54 -4.105 -3.987 -6.815 382 HG13 VAL 54 3HG1 VAL 54 -4.243 -4.269 -8.551 383 HG21 VAL 54 3HG2 VAL 54 -3.455 -6.554 -7.870 384 HG22 VAL 54 1HG2 VAL 54 -1.721 -6.755 -8.136 385 HG23 VAL 54 2HG2 VAL 54 -2.728 -6.029 -9.390 386 H ASP 55 H ASP 55 0.307 -4.283 -6.423 387 HA ASP 55 HA ASP 55 1.903 -6.456 -7.505 388 HB2 ASP 55 1HB ASP 55 3.025 -4.338 -8.241 389 HB3 ASP 55 2HB ASP 55 3.237 -3.915 -6.545 390 H ARG 56 H ARG 56 3.158 -7.563 -5.905 391 HA ARG 56 HA ARG 56 2.038 -7.247 -3.218 392 HB2 ARG 56 1HB ARG 56 2.365 -9.480 -4.688 393 HB3 ARG 56 2HB ARG 56 3.906 -9.474 -3.840 394 HG2 ARG 56 1HG ARG 56 2.769 -9.470 -1.703 395 HG3 ARG 56 2HG ARG 56 1.203 -9.366 -2.511 396 HD2 ARG 56 1HD ARG 56 3.168 -11.640 -2.788 397 HD3 ARG 56 2HD ARG 56 1.730 -11.654 -1.772 398 HE ARG 56 HE ARG 56 0.403 -11.857 -3.667 399 HH11 ARG 56 1HH1 ARG 56 3.773 -11.492 -4.569 400 HH12 ARG 56 2HH1 ARG 56 3.506 -11.947 -6.218 401 HH21 ARG 56 1HH2 ARG 56 0.065 -12.458 -5.845 402 HH22 ARG 56 2HH2 ARG 56 1.405 -12.490 -6.943 403 H VAL 57 H VAL 57 3.170 -6.323 -1.645 404 HA VAL 57 HA VAL 57 6.106 -6.283 -1.815 405 HB VAL 57 HB VAL 57 6.107 -3.936 -1.007 406 HG11 VAL 57 1HG1 VAL 57 5.953 -3.007 -3.111 407 HG12 VAL 57 2HG1 VAL 57 4.523 -3.945 -3.539 408 HG13 VAL 57 3HG1 VAL 57 6.107 -4.719 -3.500 409 HG21 VAL 57 3HG2 VAL 57 3.166 -4.336 -1.189 410 HG22 VAL 57 1HG2 VAL 57 3.825 -2.747 -1.574 411 HG23 VAL 57 2HG2 VAL 57 4.114 -3.462 0.013 412 H LYS 58 H LYS 58 7.115 -5.590 0.300 413 HA LYS 58 HA LYS 58 5.616 -6.810 2.517 414 HB2 LYS 58 1HB LYS 58 8.561 -6.252 2.628 415 HB3 LYS 58 2HB LYS 58 7.634 -7.473 3.484 416 HG2 LYS 58 1HG LYS 58 7.351 -8.083 0.767 417 HG3 LYS 58 2HG LYS 58 9.050 -7.661 0.993 418 HD2 LYS 58 1HD LYS 58 9.468 -9.503 2.223 419 HD3 LYS 58 2HD LYS 58 7.929 -9.398 3.082 420 HE2 LYS 58 1HE LYS 58 7.035 -10.096 0.651 421 HE3 LYS 58 2HE LYS 58 8.632 -10.843 0.596 422 HZ1 LYS 58 3HZ LYS 58 7.448 -12.515 1.543 423 HZ2 LYS 58 1HZ LYS 58 6.334 -11.483 2.290 424 HZ3 LYS 58 2HZ LYS 58 7.875 -11.690 2.957 425 H VAL 59 H VAL 59 5.175 -5.689 4.360 426 HA VAL 59 HA VAL 59 5.985 -2.861 4.391 427 HB VAL 59 HB VAL 59 4.075 -2.632 6.082 428 HG11 VAL 59 1HG1 VAL 59 2.374 -2.512 4.263 429 HG12 VAL 59 2HG1 VAL 59 3.545 -3.270 3.186 430 HG13 VAL 59 3HG1 VAL 59 3.890 -1.692 3.895 431 HG21 VAL 59 3HG2 VAL 59 3.220 -5.247 4.838 432 HG22 VAL 59 1HG2 VAL 59 2.309 -4.275 5.993 433 HG23 VAL 59 2HG2 VAL 59 3.808 -5.058 6.490 434 H LEU 60 H LEU 60 6.919 -1.936 6.162 435 HA LEU 60 HA LEU 60 7.808 -3.806 8.260 436 HB2 LEU 60 1HB LEU 60 9.167 -1.773 6.701 437 HB3 LEU 60 2HB LEU 60 9.366 -1.492 8.420 438 HG LEU 60 HG LEU 60 10.054 -3.996 8.512 439 HD11 LEU 60 1HD1 LEU 60 11.276 -4.565 6.327 440 HD12 LEU 60 2HD1 LEU 60 10.194 -3.388 5.581 441 HD13 LEU 60 3HD1 LEU 60 9.529 -4.805 6.394 442 HD21 LEU 60 3HD2 LEU 60 12.140 -2.480 7.086 443 HD22 LEU 60 1HD2 LEU 60 12.186 -3.274 8.659 444 HD23 LEU 60 2HD2 LEU 60 11.440 -1.683 8.497 445 H ARG 61 H ARG 61 6.882 -3.568 10.179 446 HA ARG 61 HA ARG 61 5.194 -1.382 10.829 447 HB2 ARG 61 1HB ARG 61 5.127 -3.806 11.712 448 HB3 ARG 61 2HB ARG 61 6.350 -3.278 12.860 449 HG2 ARG 61 1HG ARG 61 4.066 -1.483 12.752 450 HG3 ARG 61 2HG ARG 61 3.624 -3.133 13.197 451 HD2 ARG 61 1HD ARG 61 4.527 -2.920 15.222 452 HD3 ARG 61 2HD ARG 61 6.025 -2.266 14.563 453 HE ARG 61 HE ARG 61 4.147 -0.233 14.440 454 HH11 ARG 61 1HH1 ARG 61 5.703 -2.146 16.924 455 HH12 ARG 61 2HH1 ARG 61 5.598 -0.902 18.121 456 HH21 ARG 61 1HH2 ARG 61 4.013 1.405 16.024 457 HH22 ARG 61 2HH2 ARG 61 4.638 1.114 17.612 458 H LEU 62 H LEU 62 8.546 -2.163 11.587 459 HA LEU 62 HA LEU 62 8.979 0.578 12.453 460 HB2 LEU 62 1HB LEU 62 8.412 -0.632 14.526 461 HB3 LEU 62 2HB LEU 62 9.704 -1.771 14.210 462 HG LEU 62 HG LEU 62 11.364 0.010 14.458 463 HD11 LEU 62 1HD1 LEU 62 8.937 1.702 14.539 464 HD12 LEU 62 2HD1 LEU 62 10.538 2.037 13.878 465 HD13 LEU 62 3HD1 LEU 62 10.262 2.146 15.616 466 HD21 LEU 62 3HD2 LEU 62 9.393 -0.287 16.715 467 HD22 LEU 62 1HD2 LEU 62 10.979 0.468 16.889 468 HD23 LEU 62 2HD2 LEU 62 10.855 -1.231 16.428 469 H ILE 63 H ILE 63 10.561 1.191 11.124 470 HA ILE 63 HA ILE 63 12.400 -0.594 9.907 471 HB ILE 63 HB ILE 63 13.572 1.433 9.099 472 HG12 ILE 63 1HG1 ILE 63 12.054 3.588 9.635 473 HG13 ILE 63 2HG1 ILE 63 11.835 2.713 11.145 474 HG21 ILE 63 1HG2 ILE 63 11.379 2.457 8.040 475 HG22 ILE 63 2HG2 ILE 63 10.652 1.020 8.756 476 HG23 ILE 63 3HG2 ILE 63 11.967 0.857 7.592 477 HD11 ILE 63 3HD1 ILE 63 14.597 2.685 10.494 478 HD12 ILE 63 1HD1 ILE 63 13.788 3.449 11.861 479 HD13 ILE 63 2HD1 ILE 63 13.999 4.337 10.351 480 H LYS 64 H LYS 64 14.735 -0.577 10.096 481 HA LYS 64 HA LYS 64 15.567 -0.501 12.877 482 HB2 LYS 64 1HB LYS 64 16.234 -2.099 10.682 483 HB3 LYS 64 2HB LYS 64 17.679 -1.143 10.991 484 HG2 LYS 64 1HG LYS 64 17.035 -1.920 13.505 485 HG3 LYS 64 2HG LYS 64 16.467 -3.303 12.566 486 HD2 LYS 64 1HD LYS 64 19.225 -2.112 12.282 487 HD3 LYS 64 2HD LYS 64 18.847 -3.445 13.375 488 HE2 LYS 64 1HE LYS 64 17.944 -3.766 10.583 489 HE3 LYS 64 2HE LYS 64 19.691 -3.772 10.832 490 HZ1 LYS 64 3HZ LYS 64 17.683 -5.600 12.022 491 HZ2 LYS 64 1HZ LYS 64 19.274 -5.496 12.592 492 HZ3 LYS 64 2HZ LYS 64 18.973 -5.996 11.005 493 H GLY 65 H GLY 65 16.459 1.058 9.815 494 HA2 GLY 65 1HA GLY 65 17.913 3.099 11.384 495 HA3 GLY 65 2HA GLY 65 18.497 2.517 9.833 496 H GLY 66 H GLY 66 16.285 2.521 8.257 497 HA2 GLY 66 1HA GLY 66 14.481 4.582 8.345 498 HA3 GLY 66 2HA GLY 66 15.952 5.318 7.728 Start of MODEL 2 1 H1 MET 1 1H MET 1 -7.592 -1.849 -4.857 2 H2 MET 1 2H MET 1 -9.040 -0.933 -4.857 3 H3 MET 1 3H MET 1 -8.649 -1.923 -3.512 4 HA MET 1 HA MET 1 -7.143 0.440 -4.431 5 HB2 MET 1 1HB MET 1 -8.964 0.003 -2.051 6 HB3 MET 1 2HB MET 1 -8.012 1.451 -2.343 7 HG2 MET 1 1HG MET 1 -9.723 2.293 -3.455 8 HG3 MET 1 2HG MET 1 -9.500 1.043 -4.677 9 HE1 MET 1 3HE MET 1 -11.021 -0.128 -0.920 10 HE2 MET 1 1HE MET 1 -12.301 1.071 -1.112 11 HE3 MET 1 2HE MET 1 -10.609 1.568 -1.169 12 H ASN 2 H ASN 2 -7.674 -1.734 -1.631 13 HA ASN 2 HA ASN 2 -4.981 -1.256 -0.707 14 HB2 ASN 2 1HB ASN 2 -7.058 -3.146 0.413 15 HB3 ASN 2 2HB ASN 2 -5.587 -2.607 1.215 16 HD21 ASN 2 2HD2 ASN 2 -5.440 -0.070 1.188 17 HD22 ASN 2 1HD2 ASN 2 -6.866 0.724 1.751 18 H VAL 3 H VAL 3 -3.354 -2.771 -0.509 19 HA VAL 3 HA VAL 3 -3.657 -5.196 -2.155 20 HB VAL 3 HB VAL 3 -2.150 -3.556 -3.194 21 HG11 VAL 3 1HG1 VAL 3 -0.643 -3.775 -0.601 22 HG12 VAL 3 2HG1 VAL 3 -1.299 -2.328 -1.364 23 HG13 VAL 3 3HG1 VAL 3 0.079 -3.155 -2.086 24 HG21 VAL 3 3HG2 VAL 3 -0.017 -5.296 -2.697 25 HG22 VAL 3 1HG2 VAL 3 -1.193 -5.386 -4.007 26 HG23 VAL 3 2HG2 VAL 3 -1.477 -6.264 -2.507 27 H THR 4 H THR 4 -2.913 -7.129 -1.345 28 HA THR 4 HA THR 4 -2.599 -7.291 1.499 29 HB THR 4 HB THR 4 -2.036 -9.573 -0.375 30 HG1 THR 4 HG1 THR 4 -4.604 -8.575 0.315 31 HG21 THR 4 3HG2 THR 4 -3.298 -10.846 1.343 32 HG22 THR 4 1HG2 THR 4 -3.332 -9.382 2.330 33 HG23 THR 4 2HG2 THR 4 -1.790 -10.137 1.922 34 H VAL 5 H VAL 5 -0.773 -6.812 2.491 35 HA VAL 5 HA VAL 5 1.778 -7.514 1.190 36 HB VAL 5 HB VAL 5 2.788 -5.649 2.512 37 HG11 VAL 5 1HG1 VAL 5 2.337 -4.079 0.897 38 HG12 VAL 5 2HG1 VAL 5 0.616 -4.460 0.850 39 HG13 VAL 5 3HG1 VAL 5 1.781 -5.547 0.096 40 HG21 VAL 5 3HG2 VAL 5 1.270 -3.918 3.410 41 HG22 VAL 5 1HG2 VAL 5 1.140 -5.449 4.276 42 HG23 VAL 5 2HG2 VAL 5 -0.096 -4.989 3.106 43 H GLU 6 H GLU 6 3.250 -8.679 2.326 44 HA GLU 6 HA GLU 6 2.369 -9.892 4.796 45 HB2 GLU 6 1HB GLU 6 4.946 -10.249 3.251 46 HB3 GLU 6 2HB GLU 6 4.434 -11.230 4.615 47 HG2 GLU 6 1HG GLU 6 3.037 -12.462 3.372 48 HG3 GLU 6 2HG GLU 6 2.496 -11.080 2.421 49 H VAL 7 H VAL 7 2.666 -8.936 6.689 50 HA VAL 7 HA VAL 7 4.761 -6.943 7.028 51 HB VAL 7 HB VAL 7 2.721 -7.838 9.069 52 HG11 VAL 7 1HG1 VAL 7 3.197 -5.324 9.723 53 HG12 VAL 7 2HG1 VAL 7 4.730 -5.652 8.914 54 HG13 VAL 7 3HG1 VAL 7 4.229 -6.637 10.289 55 HG21 VAL 7 3HG2 VAL 7 1.121 -6.582 8.134 56 HG22 VAL 7 1HG2 VAL 7 2.094 -6.672 6.667 57 HG23 VAL 7 2HG2 VAL 7 2.242 -5.281 7.740 58 H VAL 8 H VAL 8 6.585 -7.221 8.191 59 HA VAL 8 HA VAL 8 7.409 -9.847 8.909 60 HB VAL 8 HB VAL 8 8.722 -7.255 9.745 61 HG11 VAL 8 1HG1 VAL 8 10.712 -8.514 10.000 62 HG12 VAL 8 2HG1 VAL 8 9.995 -9.935 9.244 63 HG13 VAL 8 3HG1 VAL 8 9.444 -9.412 10.835 64 HG21 VAL 8 3HG2 VAL 8 8.824 -6.907 7.510 65 HG22 VAL 8 1HG2 VAL 8 8.578 -8.609 7.121 66 HG23 VAL 8 2HG2 VAL 8 10.170 -8.040 7.622 67 H GLY 9 H GLY 9 6.935 -10.940 10.697 68 HA2 GLY 9 1HA GLY 9 6.751 -11.350 12.985 69 HA3 GLY 9 2HA GLY 9 6.854 -9.614 13.280 70 H GLU 10 H GLU 10 4.833 -8.474 12.088 71 HA GLU 10 HA GLU 10 2.540 -9.404 13.546 72 HB2 GLU 10 1HB GLU 10 3.397 -6.950 12.835 73 HB3 GLU 10 2HB GLU 10 2.240 -7.238 11.544 74 HG2 GLU 10 1HG GLU 10 0.769 -7.969 13.684 75 HG3 GLU 10 2HG GLU 10 1.804 -6.740 14.408 76 H GLU 11 H GLU 11 0.379 -9.585 12.502 77 HA GLU 11 HA GLU 11 0.316 -11.622 10.594 78 HB2 GLU 11 1HB GLU 11 -1.865 -9.675 11.373 79 HB3 GLU 11 2HB GLU 11 -2.119 -11.170 10.480 80 HG2 GLU 11 1HG GLU 11 -0.666 -11.544 12.982 81 HG3 GLU 11 2HG GLU 11 -2.280 -10.871 13.196 82 H THR 12 H THR 12 -1.476 -11.117 8.633 83 HA THR 12 HA THR 12 0.010 -9.276 6.902 84 HB THR 12 HB THR 12 -2.102 -11.172 5.920 85 HG1 THR 12 HG1 THR 12 0.572 -11.832 6.597 86 HG21 THR 12 3HG2 THR 12 -0.702 -9.427 4.518 87 HG22 THR 12 1HG2 THR 12 -1.123 -11.016 3.884 88 HG23 THR 12 2HG2 THR 12 0.485 -10.733 4.551 89 H SER 13 H SER 13 -0.782 -7.357 6.457 90 HA SER 13 HA SER 13 -3.696 -6.924 6.617 91 HB2 SER 13 1HB SER 13 -2.581 -5.813 8.478 92 HB3 SER 13 2HB SER 13 -1.459 -5.021 7.371 93 HG SER 13 HG SER 13 -3.562 -3.936 8.193 94 H GLU 14 H GLU 14 -4.498 -5.114 5.278 95 HA GLU 14 HA GLU 14 -3.112 -5.081 2.695 96 HB2 GLU 14 1HB GLU 14 -5.921 -4.128 3.245 97 HB3 GLU 14 2HB GLU 14 -5.200 -4.510 1.690 98 HG2 GLU 14 1HG GLU 14 -5.794 -6.638 1.841 99 HG3 GLU 14 2HG GLU 14 -5.107 -6.788 3.455 100 H VAL 15 H VAL 15 -2.506 -3.217 1.677 101 HA VAL 15 HA VAL 15 -2.923 -0.685 3.126 102 HB VAL 15 HB VAL 15 -0.634 -1.472 3.538 103 HG11 VAL 15 1HG1 VAL 15 -0.221 -1.285 0.558 104 HG12 VAL 15 2HG1 VAL 15 -0.415 -2.794 1.450 105 HG13 VAL 15 3HG1 VAL 15 0.971 -1.752 1.771 106 HG21 VAL 15 3HG2 VAL 15 0.571 0.529 2.765 107 HG22 VAL 15 1HG2 VAL 15 -1.012 0.924 3.432 108 HG23 VAL 15 2HG2 VAL 15 -0.769 0.908 1.686 109 H ALA 16 H ALA 16 -2.991 1.211 1.841 110 HA ALA 16 HA ALA 16 -3.999 0.748 -0.835 111 HB1 ALA 16 3HB ALA 16 -4.027 3.002 1.087 112 HB2 ALA 16 1HB ALA 16 -5.320 2.351 0.080 113 HB3 ALA 16 2HB ALA 16 -4.100 3.409 -0.626 114 H VAL 17 H VAL 17 -2.843 0.902 -2.633 115 HA VAL 17 HA VAL 17 -0.248 2.304 -2.519 116 HB VAL 17 HB VAL 17 0.412 0.795 -4.424 117 HG11 VAL 17 1HG1 VAL 17 0.693 -1.232 -2.919 118 HG12 VAL 17 2HG1 VAL 17 -0.202 -0.324 -1.701 119 HG13 VAL 17 3HG1 VAL 17 1.332 0.295 -2.313 120 HG21 VAL 17 3HG2 VAL 17 -2.196 0.185 -4.641 121 HG22 VAL 17 1HG2 VAL 17 -1.660 -1.164 -3.639 122 HG23 VAL 17 2HG2 VAL 17 -0.906 -0.876 -5.206 123 H ASP 18 H ASP 18 0.527 3.123 -4.645 124 HA ASP 18 HA ASP 18 -1.614 4.585 -5.964 125 HB2 ASP 18 1HB ASP 18 0.201 5.868 -7.028 126 HB3 ASP 18 2HB ASP 18 0.343 5.853 -5.275 127 H ASP 19 H ASP 19 0.631 1.989 -6.647 128 HA ASP 19 HA ASP 19 0.664 1.942 -9.415 129 HB2 ASP 19 1HB ASP 19 0.823 -0.214 -7.335 130 HB3 ASP 19 2HB ASP 19 0.746 -0.654 -9.037 131 H ASP 20 H ASP 20 -1.858 0.736 -7.232 132 HA ASP 20 HA ASP 20 -3.356 -0.791 -8.954 133 HB2 ASP 20 1HB ASP 20 -5.325 -0.218 -7.541 134 HB3 ASP 20 2HB ASP 20 -3.911 -0.733 -6.635 135 H GLY 21 H GLY 21 -3.148 2.706 -8.886 136 HA2 GLY 21 1HA GLY 21 -3.858 4.248 -10.438 137 HA3 GLY 21 2HA GLY 21 -4.326 2.900 -11.471 138 H THR 22 H THR 22 -5.615 3.152 -8.240 139 HA THR 22 HA THR 22 -8.255 3.706 -9.403 140 HB THR 22 HB THR 22 -9.093 2.834 -7.165 141 HG1 THR 22 HG1 THR 22 -7.239 2.994 -5.937 142 HG21 THR 22 3HG2 THR 22 -7.477 0.945 -8.860 143 HG22 THR 22 1HG2 THR 22 -9.169 1.385 -9.092 144 HG23 THR 22 2HG2 THR 22 -8.684 0.471 -7.664 145 H TYR 23 H TYR 23 -9.756 4.734 -7.565 146 HA TYR 23 HA TYR 23 -9.019 7.415 -7.345 147 HB2 TYR 23 1HB TYR 23 -11.060 5.858 -5.744 148 HB3 TYR 23 2HB TYR 23 -10.931 7.613 -5.755 149 HD1 TYR 23 HD2 TYR 23 -10.828 8.582 -8.308 150 HD2 TYR 23 HD1 TYR 23 -12.726 4.981 -7.066 151 HE1 TYR 23 HE2 TYR 23 -12.292 8.680 -10.281 152 HE2 TYR 23 HE1 TYR 23 -14.194 5.068 -9.035 153 HH TYR 23 HH TYR 23 -14.897 7.516 -10.697 154 H ALA 24 H ALA 24 -8.499 4.740 -5.121 155 HA ALA 24 HA ALA 24 -7.877 6.133 -2.788 156 HB1 ALA 24 3HB ALA 24 -7.134 3.464 -3.877 157 HB2 ALA 24 1HB ALA 24 -8.006 3.884 -2.402 158 HB3 ALA 24 2HB ALA 24 -6.254 4.073 -2.476 159 H ASP 25 H ASP 25 -5.888 5.443 -5.627 160 HA ASP 25 HA ASP 25 -3.387 6.203 -4.612 161 HB2 ASP 25 1HB ASP 25 -3.573 5.026 -6.720 162 HB3 ASP 25 2HB ASP 25 -4.503 6.338 -7.426 163 H LEU 26 H LEU 26 -5.914 8.122 -6.221 164 HA LEU 26 HA LEU 26 -4.563 10.560 -6.352 165 HB2 LEU 26 1HB LEU 26 -6.858 9.849 -7.318 166 HB3 LEU 26 2HB LEU 26 -7.504 10.384 -5.779 167 HG LEU 26 HG LEU 26 -5.947 12.523 -6.569 168 HD11 LEU 26 1HD1 LEU 26 -5.530 12.051 -8.758 169 HD12 LEU 26 2HD1 LEU 26 -7.098 12.841 -8.926 170 HD13 LEU 26 3HD1 LEU 26 -6.990 11.081 -8.947 171 HD21 LEU 26 3HD2 LEU 26 -7.907 13.677 -6.468 172 HD22 LEU 26 1HD2 LEU 26 -8.416 12.184 -5.678 173 HD23 LEU 26 2HD2 LEU 26 -8.803 12.458 -7.377 174 H VAL 27 H VAL 27 -6.325 9.058 -3.692 175 HA VAL 27 HA VAL 27 -6.298 11.344 -1.990 176 HB VAL 27 HB VAL 27 -6.529 8.446 -1.158 177 HG11 VAL 27 1HG1 VAL 27 -8.046 9.787 0.589 178 HG12 VAL 27 2HG1 VAL 27 -6.860 11.039 0.224 179 HG13 VAL 27 3HG1 VAL 27 -6.329 9.478 0.847 180 HG21 VAL 27 3HG2 VAL 27 -8.175 9.367 -2.948 181 HG22 VAL 27 1HG2 VAL 27 -8.879 10.248 -1.593 182 HG23 VAL 27 2HG2 VAL 27 -8.810 8.487 -1.559 183 H ARG 28 H ARG 28 -4.328 8.364 -2.076 184 HA ARG 28 HA ARG 28 -2.601 9.033 0.032 185 HB2 ARG 28 1HB ARG 28 -2.885 6.781 -1.148 186 HB3 ARG 28 2HB ARG 28 -1.777 7.403 -2.363 187 HG2 ARG 28 1HG ARG 28 -0.426 7.914 -0.041 188 HG3 ARG 28 2HG ARG 28 -1.248 6.397 0.328 189 HD2 ARG 28 1HD ARG 28 -0.072 5.222 -1.229 190 HD3 ARG 28 2HD ARG 28 0.096 6.606 -2.308 191 HE ARG 28 HE ARG 28 1.902 5.801 -0.223 192 HH11 ARG 28 1HH1 ARG 28 0.804 8.499 -2.165 193 HH12 ARG 28 2HH1 ARG 28 2.275 9.392 -1.980 194 HH21 ARG 28 1HH2 ARG 28 3.840 6.981 0.018 195 HH22 ARG 28 2HH2 ARG 28 4.001 8.529 -0.741 196 H ALA 29 H ALA 29 -2.498 9.838 -3.400 197 HA ALA 29 HA ALA 29 0.118 10.804 -3.578 198 HB1 ALA 29 3HB ALA 29 -0.961 12.319 -5.411 199 HB2 ALA 29 1HB ALA 29 -2.394 11.339 -5.099 200 HB3 ALA 29 2HB ALA 29 -0.897 10.570 -5.630 201 H VAL 30 H VAL 30 -2.739 12.256 -2.184 202 HA VAL 30 HA VAL 30 -1.439 14.861 -1.938 203 HB VAL 30 HB VAL 30 -4.185 14.098 -0.942 204 HG11 VAL 30 1HG1 VAL 30 -4.353 16.212 -0.282 205 HG12 VAL 30 2HG1 VAL 30 -3.875 16.798 -1.874 206 HG13 VAL 30 3HG1 VAL 30 -2.646 16.425 -0.667 207 HG21 VAL 30 3HG2 VAL 30 -5.135 14.768 -3.002 208 HG22 VAL 30 1HG2 VAL 30 -3.838 13.645 -3.406 209 HG23 VAL 30 2HG2 VAL 30 -3.594 15.380 -3.599 210 H ASP 31 H ASP 31 -0.693 12.308 -0.398 211 HA ASP 31 HA ASP 31 0.086 11.772 1.657 212 HB2 ASP 31 1HB ASP 31 0.703 14.387 1.394 213 HB3 ASP 31 2HB ASP 31 -0.343 14.472 2.807 214 H LEU 32 H LEU 32 -2.503 11.105 1.255 215 HA LEU 32 HA LEU 32 -3.722 11.632 3.885 216 HB2 LEU 32 1HB LEU 32 -4.903 11.777 1.169 217 HB3 LEU 32 2HB LEU 32 -5.894 11.050 2.417 218 HG LEU 32 HG LEU 32 -5.324 13.218 3.762 219 HD11 LEU 32 1HD1 LEU 32 -5.354 15.059 1.795 220 HD12 LEU 32 2HD1 LEU 32 -4.342 13.820 1.051 221 HD13 LEU 32 3HD1 LEU 32 -3.887 14.512 2.608 222 HD21 LEU 32 3HD2 LEU 32 -7.347 14.180 3.028 223 HD22 LEU 32 1HD2 LEU 32 -7.538 12.441 2.803 224 HD23 LEU 32 2HD2 LEU 32 -7.189 13.476 1.418 225 H SER 33 H SER 33 -2.033 9.553 3.695 226 HA SER 33 HA SER 33 -3.580 7.155 3.080 227 HB2 SER 33 1HB SER 33 -1.310 6.081 3.886 228 HB3 SER 33 2HB SER 33 -1.425 6.823 2.292 229 HG SER 33 HG SER 33 -0.391 8.026 4.651 230 HA PRO 34 HA PRO 34 -4.797 6.951 7.392 231 HB2 PRO 34 1HB PRO 34 -5.933 4.343 6.679 232 HB3 PRO 34 2HB PRO 34 -6.751 5.801 7.241 233 HG2 PRO 34 1HG PRO 34 -6.984 4.910 4.708 234 HG3 PRO 34 2HG PRO 34 -7.011 6.637 5.112 235 HD2 PRO 34 1HD PRO 34 -4.771 4.981 4.005 236 HD3 PRO 34 2HD PRO 34 -5.279 6.627 3.567 237 H HIS 35 H HIS 35 -3.256 4.286 5.645 238 HA HIS 35 HA HIS 35 -2.500 2.894 8.050 239 HB2 HIS 35 1HB HIS 35 -2.568 2.309 5.256 240 HB3 HIS 35 2HB HIS 35 -0.928 2.036 5.831 241 HD1 HIS 35 HD1 HIS 35 -1.816 0.988 8.708 242 HD2 HIS 35 HD2 HIS 35 -3.245 -0.351 5.042 243 HE1 HIS 35 HE1 HIS 35 -2.672 -1.340 9.128 244 HE2 HIS 35 HE2 HIS 35 -3.543 -2.128 6.896 245 H GLU 36 H GLU 36 -0.855 4.929 5.651 246 HA GLU 36 HA GLU 36 1.154 5.978 5.639 247 HB2 GLU 36 1HB GLU 36 -0.049 6.663 7.962 248 HB3 GLU 36 2HB GLU 36 1.429 5.942 8.587 249 HG2 GLU 36 1HG GLU 36 1.394 8.100 6.496 250 HG3 GLU 36 2HG GLU 36 1.502 8.416 8.226 251 H VAL 37 H VAL 37 1.564 3.476 5.040 252 HA VAL 37 HA VAL 37 3.900 2.655 6.642 253 HB VAL 37 HB VAL 37 3.414 0.302 5.870 254 HG11 VAL 37 1HG1 VAL 37 1.073 1.059 7.494 255 HG12 VAL 37 2HG1 VAL 37 2.639 1.601 8.097 256 HG13 VAL 37 3HG1 VAL 37 2.348 -0.115 7.814 257 HG21 VAL 37 3HG2 VAL 37 0.569 0.740 5.564 258 HG22 VAL 37 1HG2 VAL 37 1.682 -0.184 4.555 259 HG23 VAL 37 2HG2 VAL 37 1.493 1.550 4.299 260 H THR 38 H THR 38 5.679 1.808 5.527 261 HA THR 38 HA THR 38 5.961 2.803 2.820 262 HB THR 38 HB THR 38 7.981 1.368 4.559 263 HG1 THR 38 HG1 THR 38 7.932 3.168 5.627 264 HG21 THR 38 3HG2 THR 38 8.665 1.355 2.243 265 HG22 THR 38 1HG2 THR 38 9.655 2.486 3.168 266 HG23 THR 38 2HG2 THR 38 8.369 3.090 2.123 267 H VAL 39 H VAL 39 6.010 1.622 0.998 268 HA VAL 39 HA VAL 39 5.681 -1.291 1.268 269 HB VAL 39 HB VAL 39 4.589 -1.270 -0.914 270 HG11 VAL 39 1HG1 VAL 39 3.486 -0.547 1.426 271 HG12 VAL 39 2HG1 VAL 39 2.568 -0.732 -0.068 272 HG13 VAL 39 3HG1 VAL 39 3.089 0.870 0.453 273 HG21 VAL 39 3HG2 VAL 39 3.898 1.269 -1.546 274 HG22 VAL 39 1HG2 VAL 39 5.251 0.402 -2.271 275 HG23 VAL 39 2HG2 VAL 39 5.534 1.519 -0.937 276 H LEU 40 H LEU 40 7.118 -2.635 0.385 277 HA LEU 40 HA LEU 40 9.252 -1.468 -1.274 278 HB2 LEU 40 1HB LEU 40 9.198 -3.613 0.782 279 HB3 LEU 40 2HB LEU 40 10.295 -3.828 -0.573 280 HG LEU 40 HG LEU 40 11.397 -2.824 1.384 281 HD11 LEU 40 1HD1 LEU 40 12.006 -2.308 -1.044 282 HD12 LEU 40 2HD1 LEU 40 12.636 -1.234 0.205 283 HD13 LEU 40 3HD1 LEU 40 11.250 -0.739 -0.767 284 HD21 LEU 40 3HD2 LEU 40 9.148 -1.492 1.875 285 HD22 LEU 40 1HD2 LEU 40 10.004 -0.239 0.975 286 HD23 LEU 40 2HD2 LEU 40 10.721 -0.924 2.433 287 H VAL 41 H VAL 41 9.803 -2.396 -3.204 288 HA VAL 41 HA VAL 41 7.910 -4.388 -4.253 289 HB VAL 41 HB VAL 41 9.877 -2.706 -5.823 290 HG11 VAL 41 1HG1 VAL 41 9.330 -4.276 -7.352 291 HG12 VAL 41 2HG1 VAL 41 7.872 -3.299 -7.527 292 HG13 VAL 41 3HG1 VAL 41 7.852 -4.739 -6.508 293 HG21 VAL 41 3HG2 VAL 41 7.245 -2.040 -4.700 294 HG22 VAL 41 1HG2 VAL 41 7.433 -1.678 -6.416 295 HG23 VAL 41 2HG2 VAL 41 8.552 -0.985 -5.241 296 H ASP 42 H ASP 42 8.649 -6.369 -5.012 297 HA ASP 42 HA ASP 42 11.182 -7.215 -4.023 298 HB2 ASP 42 1HB ASP 42 10.585 -9.412 -4.998 299 HB3 ASP 42 2HB ASP 42 9.304 -8.766 -3.984 300 H GLY 43 H GLY 43 13.026 -7.003 -4.986 301 HA2 GLY 43 1HA GLY 43 14.420 -7.484 -6.874 302 HA3 GLY 43 2HA GLY 43 13.104 -7.025 -7.932 303 H ARG 44 H ARG 44 12.318 -4.620 -7.134 304 HA ARG 44 HA ARG 44 14.745 -2.943 -7.152 305 HB2 ARG 44 1HB ARG 44 12.458 -3.022 -9.011 306 HB3 ARG 44 2HB ARG 44 12.922 -1.411 -8.484 307 HG2 ARG 44 1HG ARG 44 14.191 -1.672 -10.379 308 HG3 ARG 44 2HG ARG 44 15.322 -2.173 -9.121 309 HD2 ARG 44 1HD ARG 44 15.573 -3.871 -10.651 310 HD3 ARG 44 2HD ARG 44 14.342 -4.548 -9.589 311 HE ARG 44 HE ARG 44 12.845 -4.463 -11.317 312 HH11 ARG 44 1HH1 ARG 44 15.610 -2.474 -12.139 313 HH12 ARG 44 2HH1 ARG 44 15.093 -2.212 -13.769 314 HH21 ARG 44 1HH2 ARG 44 12.170 -4.113 -13.472 315 HH22 ARG 44 2HH2 ARG 44 13.139 -3.141 -14.527 316 HA PRO 45 HA PRO 45 13.102 -0.519 -3.860 317 HB2 PRO 45 1HB PRO 45 13.429 2.063 -4.734 318 HB3 PRO 45 2HB PRO 45 14.734 1.059 -4.095 319 HG2 PRO 45 1HG PRO 45 14.007 1.641 -6.936 320 HG3 PRO 45 2HG PRO 45 15.611 1.542 -6.187 321 HD2 PRO 45 1HD PRO 45 14.599 -0.467 -7.666 322 HD3 PRO 45 2HD PRO 45 15.639 -0.769 -6.260 323 H VAL 46 H VAL 46 12.068 0.921 -6.972 324 HA VAL 46 HA VAL 46 9.304 0.900 -5.992 325 HB VAL 46 HB VAL 46 8.905 3.132 -7.016 326 HG11 VAL 46 1HG1 VAL 46 9.750 2.565 -4.531 327 HG12 VAL 46 2HG1 VAL 46 9.326 4.191 -5.067 328 HG13 VAL 46 3HG1 VAL 46 11.016 3.687 -5.030 329 HG21 VAL 46 3HG2 VAL 46 11.252 2.822 -8.296 330 HG22 VAL 46 1HG2 VAL 46 11.777 3.822 -6.941 331 HG23 VAL 46 2HG2 VAL 46 10.498 4.390 -8.013 332 HA PRO 47 HA PRO 47 8.240 -0.792 -9.919 333 HB2 PRO 47 1HB PRO 47 5.891 1.018 -9.963 334 HB3 PRO 47 2HB PRO 47 5.952 -0.746 -10.010 335 HG2 PRO 47 1HG PRO 47 5.159 0.536 -7.812 336 HG3 PRO 47 2HG PRO 47 6.153 -0.930 -7.705 337 HD2 PRO 47 1HD PRO 47 6.963 1.940 -7.411 338 HD3 PRO 47 2HD PRO 47 7.466 0.526 -6.460 339 H GLU 48 H GLU 48 9.865 0.049 -11.241 340 HA GLU 48 HA GLU 48 9.883 2.704 -12.242 341 HB2 GLU 48 1HB GLU 48 11.194 0.268 -13.460 342 HB3 GLU 48 2HB GLU 48 11.627 1.946 -13.745 343 HG2 GLU 48 1HG GLU 48 11.777 1.607 -10.978 344 HG3 GLU 48 2HG GLU 48 12.494 0.155 -11.671 345 H ASP 49 H ASP 49 8.505 -0.318 -13.426 346 HA ASP 49 HA ASP 49 7.436 1.118 -15.761 347 HB2 ASP 49 1HB ASP 49 7.878 -1.838 -15.305 348 HB3 ASP 49 2HB ASP 49 7.042 -1.174 -16.706 349 H GLN 50 H GLN 50 6.550 -0.364 -12.781 350 HA GLN 50 HA GLN 50 4.570 -0.727 -11.743 351 HB2 GLN 50 1HB GLN 50 4.272 1.676 -12.538 352 HB3 GLN 50 2HB GLN 50 3.305 1.020 -13.850 353 HG2 GLN 50 1HG GLN 50 1.638 0.264 -12.402 354 HG3 GLN 50 2HG GLN 50 2.680 0.409 -10.991 355 HE21 GLN 50 2HE2 GLN 50 0.212 1.824 -12.692 356 HE22 GLN 50 1HE2 GLN 50 0.303 3.416 -12.029 357 H SER 51 H SER 51 5.217 -2.821 -13.162 358 HA SER 51 HA SER 51 3.492 -3.616 -15.238 359 HB2 SER 51 1HB SER 51 5.421 -4.973 -13.427 360 HB3 SER 51 2HB SER 51 4.230 -5.993 -14.234 361 HG SER 51 HG SER 51 5.793 -5.891 -15.706 362 H VAL 52 H VAL 52 1.494 -4.439 -15.261 363 HA VAL 52 HA VAL 52 -0.522 -5.259 -14.590 364 HB VAL 52 HB VAL 52 0.779 -6.008 -11.964 365 HG11 VAL 52 1HG1 VAL 52 -1.024 -7.901 -12.309 366 HG12 VAL 52 2HG1 VAL 52 -1.800 -6.665 -13.298 367 HG13 VAL 52 3HG1 VAL 52 -1.455 -6.346 -11.598 368 HG21 VAL 52 3HG2 VAL 52 2.086 -6.965 -13.765 369 HG22 VAL 52 1HG2 VAL 52 0.625 -7.593 -14.527 370 HG23 VAL 52 2HG2 VAL 52 1.150 -8.230 -12.969 371 H GLU 53 H GLU 53 -2.363 -4.659 -13.311 372 HA GLU 53 HA GLU 53 -2.395 -1.976 -12.530 373 HB2 GLU 53 1HB GLU 53 -4.644 -2.448 -11.598 374 HB3 GLU 53 2HB GLU 53 -4.434 -3.063 -13.231 375 HG2 GLU 53 1HG GLU 53 -3.813 -5.286 -11.994 376 HG3 GLU 53 2HG GLU 53 -4.703 -4.549 -10.664 377 H VAL 54 H VAL 54 -2.345 -4.919 -10.516 378 HA VAL 54 HA VAL 54 -1.517 -3.222 -8.255 379 HB VAL 54 HB VAL 54 -2.479 -4.854 -6.724 380 HG11 VAL 54 1HG1 VAL 54 -3.845 -3.003 -8.105 381 HG12 VAL 54 2HG1 VAL 54 -4.571 -4.009 -6.852 382 HG13 VAL 54 3HG1 VAL 54 -4.762 -4.442 -8.551 383 HG21 VAL 54 3HG2 VAL 54 -2.223 -6.896 -7.954 384 HG22 VAL 54 1HG2 VAL 54 -3.299 -6.321 -9.230 385 HG23 VAL 54 2HG2 VAL 54 -3.941 -6.668 -7.624 386 H ASP 55 H ASP 55 -0.119 -4.303 -6.653 387 HA ASP 55 HA ASP 55 1.438 -6.563 -7.624 388 HB2 ASP 55 1HB ASP 55 2.478 -4.440 -8.540 389 HB3 ASP 55 2HB ASP 55 2.823 -3.982 -6.875 390 H ARG 56 H ARG 56 2.818 -7.496 -5.971 391 HA ARG 56 HA ARG 56 1.737 -7.023 -3.292 392 HB2 ARG 56 1HB ARG 56 1.949 -9.344 -4.439 393 HB3 ARG 56 2HB ARG 56 3.649 -9.232 -4.009 394 HG2 ARG 56 1HG ARG 56 3.073 -9.046 -1.662 395 HG3 ARG 56 2HG ARG 56 1.355 -9.063 -2.063 396 HD2 ARG 56 1HD ARG 56 2.808 -11.327 -3.186 397 HD3 ARG 56 2HD ARG 56 2.908 -11.254 -1.431 398 HE ARG 56 HE ARG 56 0.627 -11.638 -1.288 399 HH11 ARG 56 1HH1 ARG 56 1.591 -11.289 -4.638 400 HH12 ARG 56 2HH1 ARG 56 0.095 -11.896 -5.260 401 HH21 ARG 56 1HH2 ARG 56 -1.341 -12.446 -2.117 402 HH22 ARG 56 2HH2 ARG 56 -1.569 -12.554 -3.830 403 H VAL 57 H VAL 57 2.857 -6.019 -1.750 404 HA VAL 57 HA VAL 57 5.773 -5.745 -2.051 405 HB VAL 57 HB VAL 57 5.539 -3.410 -1.118 406 HG11 VAL 57 1HG1 VAL 57 5.355 -2.447 -3.223 407 HG12 VAL 57 2HG1 VAL 57 4.139 -3.605 -3.760 408 HG13 VAL 57 3HG1 VAL 57 5.821 -4.107 -3.590 409 HG21 VAL 57 3HG2 VAL 57 3.507 -2.949 -0.282 410 HG22 VAL 57 1HG2 VAL 57 2.708 -4.163 -1.279 411 HG23 VAL 57 2HG2 VAL 57 3.086 -2.580 -1.954 412 H LYS 58 H LYS 58 6.828 -4.951 0.008 413 HA LYS 58 HA LYS 58 5.633 -6.358 2.303 414 HB2 LYS 58 1HB LYS 58 8.468 -5.390 2.283 415 HB3 LYS 58 2HB LYS 58 7.769 -6.769 3.118 416 HG2 LYS 58 1HG LYS 58 8.078 -6.657 0.130 417 HG3 LYS 58 2HG LYS 58 9.325 -7.286 1.207 418 HD2 LYS 58 1HD LYS 58 8.300 -9.259 1.174 419 HD3 LYS 58 2HD LYS 58 6.917 -8.519 1.982 420 HE2 LYS 58 1HE LYS 58 5.807 -8.116 -0.047 421 HE3 LYS 58 2HE LYS 58 7.273 -8.360 -0.996 422 HZ1 LYS 58 3HZ LYS 58 7.033 -10.592 -0.958 423 HZ2 LYS 58 1HZ LYS 58 5.401 -10.208 -0.739 424 HZ3 LYS 58 2HZ LYS 58 6.355 -10.628 0.592 425 H VAL 59 H VAL 59 5.298 -5.358 4.251 426 HA VAL 59 HA VAL 59 5.779 -2.448 4.326 427 HB VAL 59 HB VAL 59 3.803 -2.398 5.942 428 HG11 VAL 59 1HG1 VAL 59 3.291 -3.088 3.050 429 HG12 VAL 59 2HG1 VAL 59 3.706 -1.493 3.680 430 HG13 VAL 59 3HG1 VAL 59 2.175 -2.247 4.126 431 HG21 VAL 59 3HG2 VAL 59 3.186 -5.044 4.631 432 HG22 VAL 59 1HG2 VAL 59 2.170 -4.168 5.776 433 HG23 VAL 59 2HG2 VAL 59 3.711 -4.844 6.302 434 H LEU 60 H LEU 60 6.588 -1.541 6.183 435 HA LEU 60 HA LEU 60 7.529 -3.448 8.223 436 HB2 LEU 60 1HB LEU 60 8.797 -1.248 6.825 437 HB3 LEU 60 2HB LEU 60 8.903 -1.039 8.562 438 HG LEU 60 HG LEU 60 10.880 -2.166 7.749 439 HD11 LEU 60 1HD1 LEU 60 11.006 -3.713 9.410 440 HD12 LEU 60 2HD1 LEU 60 9.435 -4.417 9.029 441 HD13 LEU 60 3HD1 LEU 60 9.528 -2.892 9.910 442 HD21 LEU 60 3HD2 LEU 60 9.052 -4.343 6.743 443 HD22 LEU 60 1HD2 LEU 60 10.811 -4.291 6.624 444 HD23 LEU 60 2HD2 LEU 60 9.832 -3.134 5.722 445 H ARG 61 H ARG 61 6.407 -3.410 10.049 446 HA ARG 61 HA ARG 61 4.637 -1.292 10.738 447 HB2 ARG 61 1HB ARG 61 4.341 -2.550 12.878 448 HB3 ARG 61 2HB ARG 61 4.062 -3.509 11.433 449 HG2 ARG 61 1HG ARG 61 5.370 -5.020 12.421 450 HG3 ARG 61 2HG ARG 61 6.705 -3.987 11.911 451 HD2 ARG 61 1HD ARG 61 7.200 -3.438 14.013 452 HD3 ARG 61 2HD ARG 61 5.519 -3.056 14.383 453 HE ARG 61 HE ARG 61 5.549 -5.759 14.406 454 HH11 ARG 61 1HH1 ARG 61 7.516 -3.344 16.006 455 HH12 ARG 61 2HH1 ARG 61 7.840 -4.343 17.381 456 HH21 ARG 61 1HH2 ARG 61 5.978 -7.070 16.222 457 HH22 ARG 61 2HH2 ARG 61 6.968 -6.460 17.505 458 H LEU 62 H LEU 62 7.795 -2.321 12.011 459 HA LEU 62 HA LEU 62 8.624 0.281 12.663 460 HB2 LEU 62 1HB LEU 62 6.816 -0.267 14.456 461 HB3 LEU 62 2HB LEU 62 8.053 -1.292 15.156 462 HG LEU 62 HG LEU 62 9.530 0.845 15.103 463 HD11 LEU 62 1HD1 LEU 62 7.455 1.938 13.792 464 HD12 LEU 62 2HD1 LEU 62 8.588 2.868 14.773 465 HD13 LEU 62 3HD1 LEU 62 7.033 2.378 15.448 466 HD21 LEU 62 3HD2 LEU 62 8.159 1.625 17.242 467 HD22 LEU 62 1HD2 LEU 62 9.111 0.141 17.226 468 HD23 LEU 62 2HD2 LEU 62 7.367 0.072 16.980 469 H ILE 63 H ILE 63 10.590 -0.250 11.829 470 HA ILE 63 HA ILE 63 11.988 -2.601 12.865 471 HB ILE 63 HB ILE 63 11.972 -2.280 10.435 472 HG12 ILE 63 1HG1 ILE 63 14.453 -2.443 10.068 473 HG13 ILE 63 2HG1 ILE 63 14.675 -2.012 11.761 474 HG21 ILE 63 1HG2 ILE 63 11.884 0.050 10.132 475 HG22 ILE 63 2HG2 ILE 63 13.453 -0.445 9.500 476 HG23 ILE 63 3HG2 ILE 63 13.342 0.311 11.089 477 HD11 ILE 63 3HD1 ILE 63 13.862 -4.029 12.514 478 HD12 ILE 63 1HD1 ILE 63 14.708 -4.499 11.039 479 HD13 ILE 63 2HD1 ILE 63 12.951 -4.336 11.036 480 H LYS 64 H LYS 64 13.893 -2.532 13.976 481 HA LYS 64 HA LYS 64 15.393 -0.142 14.399 482 HB2 LYS 64 1HB LYS 64 13.159 -0.229 15.949 483 HB3 LYS 64 2HB LYS 64 14.316 -1.032 16.999 484 HG2 LYS 64 1HG LYS 64 15.592 0.846 17.272 485 HG3 LYS 64 2HG LYS 64 15.102 1.537 15.723 486 HD2 LYS 64 1HD LYS 64 12.974 2.164 16.580 487 HD3 LYS 64 2HD LYS 64 13.223 1.229 18.056 488 HE2 LYS 64 1HE LYS 64 15.365 2.883 18.136 489 HE3 LYS 64 2HE LYS 64 14.188 3.913 17.322 490 HZ1 LYS 64 3HZ LYS 64 13.853 4.341 19.563 491 HZ2 LYS 64 1HZ LYS 64 14.043 2.723 20.020 492 HZ3 LYS 64 2HZ LYS 64 12.637 3.218 19.219 493 H GLY 65 H GLY 65 15.934 -2.865 13.599 494 HA2 GLY 65 1HA GLY 65 17.702 -4.318 13.891 495 HA3 GLY 65 2HA GLY 65 18.189 -3.374 15.291 496 H GLY 66 H GLY 66 17.334 -6.371 14.404 497 HA2 GLY 66 1HA GLY 66 16.854 -7.227 17.084 498 HA3 GLY 66 2HA GLY 66 15.383 -7.291 16.128 Start of MODEL 3 1 H1 MET 1 1H MET 1 -5.134 0.645 -5.536 2 H2 MET 1 2H MET 1 -5.151 1.975 -4.454 3 H3 MET 1 3H MET 1 -6.369 1.830 -5.653 4 HA MET 1 HA MET 1 -7.255 1.212 -3.575 5 HB2 MET 1 1HB MET 1 -8.077 -0.984 -4.200 6 HB3 MET 1 2HB MET 1 -7.921 0.009 -5.642 7 HG2 MET 1 1HG MET 1 -6.328 -1.302 -6.534 8 HG3 MET 1 2HG MET 1 -5.581 -1.646 -4.976 9 HE1 MET 1 3HE MET 1 -8.892 -3.131 -7.263 10 HE2 MET 1 1HE MET 1 -7.642 -4.344 -7.543 11 HE3 MET 1 2HE MET 1 -7.285 -2.636 -7.799 12 H ASN 2 H ASN 2 -7.298 -1.159 -2.306 13 HA ASN 2 HA ASN 2 -4.850 -1.075 -0.764 14 HB2 ASN 2 1HB ASN 2 -7.517 -2.414 -0.392 15 HB3 ASN 2 2HB ASN 2 -6.139 -2.850 0.614 16 HD21 ASN 2 2HD2 ASN 2 -7.869 -2.038 2.182 17 HD22 ASN 2 1HD2 ASN 2 -7.770 -0.368 2.612 18 H VAL 3 H VAL 3 -3.393 -2.716 -0.494 19 HA VAL 3 HA VAL 3 -3.722 -5.112 -2.173 20 HB VAL 3 HB VAL 3 -1.127 -3.600 -1.819 21 HG11 VAL 3 1HG1 VAL 3 -0.114 -5.408 -2.613 22 HG12 VAL 3 2HG1 VAL 3 -1.162 -5.406 -4.031 23 HG13 VAL 3 3HG1 VAL 3 -1.651 -6.271 -2.575 24 HG21 VAL 3 3HG2 VAL 3 -2.666 -2.329 -3.212 25 HG22 VAL 3 1HG2 VAL 3 -2.958 -3.751 -4.214 26 HG23 VAL 3 2HG2 VAL 3 -1.362 -3.004 -4.189 27 H THR 4 H THR 4 -3.034 -7.027 -1.297 28 HA THR 4 HA THR 4 -2.683 -7.097 1.547 29 HB THR 4 HB THR 4 -2.517 -9.322 -0.499 30 HG1 THR 4 HG1 THR 4 -4.564 -8.476 -0.490 31 HG21 THR 4 3HG2 THR 4 -1.704 -10.502 1.222 32 HG22 THR 4 1HG2 THR 4 -3.385 -10.511 1.754 33 HG23 THR 4 2HG2 THR 4 -2.255 -9.334 2.424 34 H VAL 5 H VAL 5 -0.827 -6.666 2.497 35 HA VAL 5 HA VAL 5 1.679 -7.504 1.185 36 HB VAL 5 HB VAL 5 2.787 -5.665 2.444 37 HG11 VAL 5 1HG1 VAL 5 1.817 -5.532 0.056 38 HG12 VAL 5 2HG1 VAL 5 2.302 -4.039 0.861 39 HG13 VAL 5 3HG1 VAL 5 0.598 -4.484 0.777 40 HG21 VAL 5 3HG2 VAL 5 1.332 -3.845 3.328 41 HG22 VAL 5 1HG2 VAL 5 1.244 -5.341 4.257 42 HG23 VAL 5 2HG2 VAL 5 -0.051 -4.920 3.137 43 H GLU 6 H GLU 6 3.140 -8.670 2.334 44 HA GLU 6 HA GLU 6 2.245 -9.814 4.830 45 HB2 GLU 6 1HB GLU 6 4.390 -11.150 4.641 46 HB3 GLU 6 2HB GLU 6 3.232 -11.369 3.337 47 HG2 GLU 6 1HG GLU 6 4.522 -10.078 1.843 48 HG3 GLU 6 2HG GLU 6 5.550 -9.469 3.138 49 H VAL 7 H VAL 7 2.596 -8.868 6.706 50 HA VAL 7 HA VAL 7 4.733 -6.918 7.016 51 HB VAL 7 HB VAL 7 2.761 -7.765 9.136 52 HG11 VAL 7 1HG1 VAL 7 3.195 -5.207 9.645 53 HG12 VAL 7 2HG1 VAL 7 4.701 -5.540 8.788 54 HG13 VAL 7 3HG1 VAL 7 4.284 -6.465 10.230 55 HG21 VAL 7 3HG2 VAL 7 1.971 -5.310 7.966 56 HG22 VAL 7 1HG2 VAL 7 1.091 -6.837 8.003 57 HG23 VAL 7 2HG2 VAL 7 2.178 -6.477 6.661 58 H VAL 8 H VAL 8 6.562 -7.209 8.167 59 HA VAL 8 HA VAL 8 7.404 -9.827 8.849 60 HB VAL 8 HB VAL 8 8.675 -7.237 9.760 61 HG11 VAL 8 1HG1 VAL 8 10.310 -9.592 9.078 62 HG12 VAL 8 2HG1 VAL 8 9.314 -9.744 10.527 63 HG13 VAL 8 3HG1 VAL 8 10.480 -8.429 10.391 64 HG21 VAL 8 3HG2 VAL 8 10.148 -7.939 7.630 65 HG22 VAL 8 1HG2 VAL 8 8.778 -6.832 7.535 66 HG23 VAL 8 2HG2 VAL 8 8.573 -8.529 7.101 67 H GLY 9 H GLY 9 6.935 -10.966 10.613 68 HA2 GLY 9 1HA GLY 9 6.729 -11.426 12.889 69 HA3 GLY 9 2HA GLY 9 6.819 -9.697 13.223 70 H GLU 10 H GLU 10 4.803 -8.547 12.026 71 HA GLU 10 HA GLU 10 2.503 -9.509 13.450 72 HB2 GLU 10 1HB GLU 10 3.296 -7.050 12.920 73 HB3 GLU 10 2HB GLU 10 2.343 -7.283 11.461 74 HG2 GLU 10 1HG GLU 10 0.446 -6.949 12.553 75 HG3 GLU 10 2HG GLU 10 0.874 -8.132 13.788 76 H GLU 11 H GLU 11 0.347 -9.680 12.392 77 HA GLU 11 HA GLU 11 0.315 -11.692 10.456 78 HB2 GLU 11 1HB GLU 11 -2.082 -11.429 10.421 79 HB3 GLU 11 2HB GLU 11 -1.514 -11.229 12.072 80 HG2 GLU 11 1HG GLU 11 -1.502 -8.658 11.147 81 HG3 GLU 11 2HG GLU 11 -2.891 -9.350 10.312 82 H THR 12 H THR 12 -1.530 -11.124 8.521 83 HA THR 12 HA THR 12 -0.013 -9.304 6.795 84 HB THR 12 HB THR 12 -2.139 -11.295 5.983 85 HG1 THR 12 HG1 THR 12 0.679 -11.601 6.116 86 HG21 THR 12 3HG2 THR 12 0.006 -10.693 4.116 87 HG22 THR 12 1HG2 THR 12 -1.017 -9.305 4.483 88 HG23 THR 12 2HG2 THR 12 -1.736 -10.789 3.859 89 H SER 13 H SER 13 -0.765 -7.363 6.344 90 HA SER 13 HA SER 13 -3.663 -6.861 6.570 91 HB2 SER 13 1HB SER 13 -1.545 -4.770 7.077 92 HB3 SER 13 2HB SER 13 -3.252 -4.724 7.509 93 HG SER 13 HG SER 13 -1.133 -5.862 8.832 94 H GLU 14 H GLU 14 -4.438 -5.003 5.263 95 HA GLU 14 HA GLU 14 -3.112 -5.014 2.647 96 HB2 GLU 14 1HB GLU 14 -5.926 -4.203 3.401 97 HB3 GLU 14 2HB GLU 14 -5.273 -4.190 1.770 98 HG2 GLU 14 1HG GLU 14 -5.514 -6.404 1.515 99 HG3 GLU 14 2HG GLU 14 -5.024 -6.754 3.172 100 H VAL 15 H VAL 15 -2.417 -3.187 1.653 101 HA VAL 15 HA VAL 15 -2.832 -0.623 3.040 102 HB VAL 15 HB VAL 15 -0.493 0.005 2.548 103 HG11 VAL 15 1HG1 VAL 15 0.560 -1.516 4.253 104 HG12 VAL 15 2HG1 VAL 15 -0.945 -2.432 4.256 105 HG13 VAL 15 3HG1 VAL 15 -0.941 -0.742 4.757 106 HG21 VAL 15 3HG2 VAL 15 1.132 -1.714 1.925 107 HG22 VAL 15 1HG2 VAL 15 -0.091 -1.509 0.669 108 HG23 VAL 15 2HG2 VAL 15 -0.169 -2.891 1.762 109 H ALA 16 H ALA 16 -2.761 1.250 1.718 110 HA ALA 16 HA ALA 16 -3.587 0.755 -1.011 111 HB1 ALA 16 3HB ALA 16 -3.662 3.417 -0.860 112 HB2 ALA 16 1HB ALA 16 -3.706 3.043 0.863 113 HB3 ALA 16 2HB ALA 16 -4.942 2.390 -0.213 114 H VAL 17 H VAL 17 -2.353 0.925 -2.761 115 HA VAL 17 HA VAL 17 0.217 2.350 -2.532 116 HB VAL 17 HB VAL 17 1.011 0.733 -4.344 117 HG11 VAL 17 1HG1 VAL 17 1.232 0.724 -1.625 118 HG12 VAL 17 2HG1 VAL 17 2.118 -0.346 -2.712 119 HG13 VAL 17 3HG1 VAL 17 0.634 -0.904 -1.941 120 HG21 VAL 17 3HG2 VAL 17 -0.055 -1.404 -4.503 121 HG22 VAL 17 1HG2 VAL 17 -1.270 -0.167 -4.824 122 HG23 VAL 17 2HG2 VAL 17 -1.223 -0.972 -3.256 123 H ASP 18 H ASP 18 0.813 3.700 -4.151 124 HA ASP 18 HA ASP 18 -1.204 4.716 -5.869 125 HB2 ASP 18 1HB ASP 18 1.770 5.229 -5.796 126 HB3 ASP 18 2HB ASP 18 0.641 6.122 -6.809 127 H ASP 19 H ASP 19 1.149 2.216 -6.251 128 HA ASP 19 HA ASP 19 1.667 2.191 -8.961 129 HB2 ASP 19 1HB ASP 19 1.514 0.106 -6.846 130 HB3 ASP 19 2HB ASP 19 1.530 -0.450 -8.515 131 H ASP 20 H ASP 20 -1.243 1.126 -7.278 132 HA ASP 20 HA ASP 20 -2.448 -0.271 -9.394 133 HB2 ASP 20 1HB ASP 20 -3.930 1.282 -7.272 134 HB3 ASP 20 2HB ASP 20 -4.501 -0.122 -8.162 135 H GLY 21 H GLY 21 -2.795 3.134 -8.399 136 HA2 GLY 21 1HA GLY 21 -3.195 4.983 -9.756 137 HA3 GLY 21 2HA GLY 21 -3.312 3.907 -11.143 138 H THR 22 H THR 22 -5.274 3.345 -8.287 139 HA THR 22 HA THR 22 -7.659 3.746 -9.904 140 HB THR 22 HB THR 22 -8.868 2.737 -8.014 141 HG1 THR 22 HG1 THR 22 -7.917 3.149 -6.172 142 HG21 THR 22 3HG2 THR 22 -8.127 0.554 -8.214 143 HG22 THR 22 1HG2 THR 22 -6.438 1.036 -8.380 144 HG23 THR 22 2HG2 THR 22 -7.568 1.310 -9.705 145 H TYR 23 H TYR 23 -9.622 4.655 -8.552 146 HA TYR 23 HA TYR 23 -9.202 7.410 -8.229 147 HB2 TYR 23 1HB TYR 23 -11.486 5.680 -7.250 148 HB3 TYR 23 2HB TYR 23 -11.501 7.441 -7.259 149 HD1 TYR 23 HD1 TYR 23 -11.197 8.605 -9.540 150 HD2 TYR 23 HD2 TYR 23 -12.194 4.490 -9.130 151 HE1 TYR 23 HE1 TYR 23 -12.053 8.588 -11.846 152 HE2 TYR 23 HE2 TYR 23 -13.049 4.461 -11.434 153 HH TYR 23 HH TYR 23 -14.043 6.575 -13.055 154 H ALA 24 H ALA 24 -9.354 4.783 -5.867 155 HA ALA 24 HA ALA 24 -9.394 6.329 -3.529 156 HB1 ALA 24 3HB ALA 24 -7.873 3.793 -3.459 157 HB2 ALA 24 1HB ALA 24 -9.552 3.700 -3.990 158 HB3 ALA 24 2HB ALA 24 -9.164 4.375 -2.408 159 H ASP 25 H ASP 25 -6.731 5.310 -5.597 160 HA ASP 25 HA ASP 25 -4.599 5.973 -3.894 161 HB2 ASP 25 1HB ASP 25 -4.806 5.829 -6.900 162 HB3 ASP 25 2HB ASP 25 -3.295 6.188 -6.070 163 H LEU 26 H LEU 26 -6.492 7.946 -6.141 164 HA LEU 26 HA LEU 26 -4.897 10.230 -6.217 165 HB2 LEU 26 1HB LEU 26 -7.257 9.558 -7.319 166 HB3 LEU 26 2HB LEU 26 -7.840 10.606 -6.042 167 HG LEU 26 HG LEU 26 -7.543 11.752 -8.224 168 HD11 LEU 26 1HD1 LEU 26 -6.658 13.737 -7.338 169 HD12 LEU 26 2HD1 LEU 26 -5.622 12.869 -6.205 170 HD13 LEU 26 3HD1 LEU 26 -7.370 12.888 -5.966 171 HD21 LEU 26 3HD2 LEU 26 -4.606 11.829 -7.885 172 HD22 LEU 26 1HD2 LEU 26 -5.587 11.881 -9.351 173 HD23 LEU 26 2HD2 LEU 26 -5.296 10.342 -8.539 174 H VAL 27 H VAL 27 -7.158 9.104 -3.762 175 HA VAL 27 HA VAL 27 -7.228 11.481 -2.217 176 HB VAL 27 HB VAL 27 -7.618 8.670 -1.175 177 HG11 VAL 27 1HG1 VAL 27 -8.964 9.678 0.526 178 HG12 VAL 27 2HG1 VAL 27 -8.846 11.260 -0.246 179 HG13 VAL 27 3HG1 VAL 27 -7.417 10.526 0.481 180 HG21 VAL 27 3HG2 VAL 27 -9.575 10.477 -2.585 181 HG22 VAL 27 1HG2 VAL 27 -10.041 9.058 -1.648 182 HG23 VAL 27 2HG2 VAL 27 -9.040 8.874 -3.088 183 H ARG 28 H ARG 28 -5.340 8.481 -1.906 184 HA ARG 28 HA ARG 28 -3.850 9.324 0.350 185 HB2 ARG 28 1HB ARG 28 -3.683 7.091 -1.610 186 HB3 ARG 28 2HB ARG 28 -2.237 7.456 -0.679 187 HG2 ARG 28 1HG ARG 28 -3.315 5.816 0.565 188 HG3 ARG 28 2HG ARG 28 -3.749 7.320 1.379 189 HD2 ARG 28 1HD ARG 28 -5.786 7.168 -0.347 190 HD3 ARG 28 2HD ARG 28 -5.425 5.449 -0.194 191 HE ARG 28 HE ARG 28 -5.569 6.604 2.368 192 HH11 ARG 28 1HH1 ARG 28 -7.648 5.755 -0.314 193 HH12 ARG 28 2HH1 ARG 28 -9.038 5.494 0.684 194 HH21 ARG 28 1HH2 ARG 28 -7.404 6.262 3.681 195 HH22 ARG 28 2HH2 ARG 28 -8.900 5.782 2.953 196 H ALA 29 H ALA 29 -3.335 9.599 -3.124 197 HA ALA 29 HA ALA 29 -0.654 10.338 -3.184 198 HB1 ALA 29 3HB ALA 29 -2.526 9.994 -5.073 199 HB2 ALA 29 1HB ALA 29 -0.986 10.802 -5.366 200 HB3 ALA 29 2HB ALA 29 -2.438 11.757 -5.061 201 H VAL 30 H VAL 30 -3.412 12.168 -2.103 202 HA VAL 30 HA VAL 30 -2.002 14.704 -2.207 203 HB VAL 30 HB VAL 30 -4.674 14.176 -0.911 204 HG11 VAL 30 1HG1 VAL 30 -4.883 16.642 -1.861 205 HG12 VAL 30 2HG1 VAL 30 -3.128 16.588 -1.690 206 HG13 VAL 30 3HG1 VAL 30 -4.160 16.307 -0.287 207 HG21 VAL 30 3HG2 VAL 30 -5.288 15.272 -3.321 208 HG22 VAL 30 1HG2 VAL 30 -5.359 13.548 -2.958 209 HG23 VAL 30 2HG2 VAL 30 -3.937 14.224 -3.753 210 H ASP 31 H ASP 31 -1.081 12.408 -0.456 211 HA ASP 31 HA ASP 31 -0.109 12.121 1.565 212 HB2 ASP 31 1HB ASP 31 -0.580 15.081 1.980 213 HB3 ASP 31 2HB ASP 31 0.573 14.067 2.839 214 H LEU 32 H LEU 32 -2.680 11.341 1.470 215 HA LEU 32 HA LEU 32 -3.639 12.002 4.167 216 HB2 LEU 32 1HB LEU 32 -5.343 11.742 1.687 217 HB3 LEU 32 2HB LEU 32 -5.973 11.844 3.320 218 HG LEU 32 HG LEU 32 -4.166 14.045 2.595 219 HD11 LEU 32 1HD1 LEU 32 -5.833 13.294 0.571 220 HD12 LEU 32 2HD1 LEU 32 -5.224 14.927 0.837 221 HD13 LEU 32 3HD1 LEU 32 -6.817 14.471 1.441 222 HD21 LEU 32 3HD2 LEU 32 -6.973 14.382 3.511 223 HD22 LEU 32 1HD2 LEU 32 -5.516 15.257 3.978 224 HD23 LEU 32 2HD2 LEU 32 -5.819 13.642 4.617 225 H SER 33 H SER 33 -2.046 9.865 3.751 226 HA SER 33 HA SER 33 -3.769 7.522 3.423 227 HB2 SER 33 1HB SER 33 -0.773 7.556 3.839 228 HB3 SER 33 2HB SER 33 -1.760 6.224 3.233 229 HG SER 33 HG SER 33 -1.105 7.060 1.386 230 HA PRO 34 HA PRO 34 -3.943 7.267 7.895 231 HB2 PRO 34 1HB PRO 34 -5.610 5.165 8.062 232 HB3 PRO 34 2HB PRO 34 -6.173 6.765 7.563 233 HG2 PRO 34 1HG PRO 34 -5.518 4.378 5.882 234 HG3 PRO 34 2HG PRO 34 -6.872 5.512 5.738 235 HD2 PRO 34 1HD PRO 34 -4.607 5.638 4.201 236 HD3 PRO 34 2HD PRO 34 -5.626 7.042 4.576 237 H HIS 35 H HIS 35 -3.070 4.606 5.758 238 HA HIS 35 HA HIS 35 -2.152 2.860 7.824 239 HB2 HIS 35 1HB HIS 35 -1.535 2.863 4.860 240 HB3 HIS 35 2HB HIS 35 -1.157 1.556 5.975 241 HD1 HIS 35 HD1 HIS 35 -3.651 0.995 7.425 242 HD2 HIS 35 HD2 HIS 35 -3.686 2.105 3.421 243 HE1 HIS 35 HE1 HIS 35 -5.838 0.153 6.514 244 HE2 HIS 35 HE2 HIS 35 -5.778 0.723 4.061 245 H GLU 36 H GLU 36 -0.555 5.134 5.610 246 HA GLU 36 HA GLU 36 1.586 5.907 5.484 247 HB2 GLU 36 1HB GLU 36 0.987 5.915 8.431 248 HB3 GLU 36 2HB GLU 36 2.511 6.530 7.808 249 HG2 GLU 36 1HG GLU 36 0.056 7.556 6.535 250 HG3 GLU 36 2HG GLU 36 0.360 8.058 8.196 251 H VAL 37 H VAL 37 1.902 3.471 4.802 252 HA VAL 37 HA VAL 37 4.100 2.392 6.459 253 HB VAL 37 HB VAL 37 3.487 0.133 5.561 254 HG11 VAL 37 1HG1 VAL 37 2.877 0.469 7.778 255 HG12 VAL 37 2HG1 VAL 37 1.369 -0.039 7.017 256 HG13 VAL 37 3HG1 VAL 37 1.650 1.667 7.362 257 HG21 VAL 37 3HG2 VAL 37 1.935 -0.099 3.989 258 HG22 VAL 37 1HG2 VAL 37 1.722 1.649 3.962 259 HG23 VAL 37 2HG2 VAL 37 0.730 0.658 5.030 260 H THR 38 H THR 38 5.871 1.484 5.374 261 HA THR 38 HA THR 38 6.339 2.579 2.730 262 HB THR 38 HB THR 38 8.560 1.046 3.383 263 HG1 THR 38 HG1 THR 38 7.840 2.387 5.756 264 HG21 THR 38 3HG2 THR 38 9.676 3.105 3.905 265 HG22 THR 38 1HG2 THR 38 8.134 3.922 4.152 266 HG23 THR 38 2HG2 THR 38 8.585 3.360 2.542 267 H VAL 39 H VAL 39 6.515 1.440 0.850 268 HA VAL 39 HA VAL 39 5.810 -1.414 0.994 269 HB VAL 39 HB VAL 39 4.973 -1.228 -1.280 270 HG11 VAL 39 1HG1 VAL 39 3.914 0.958 0.506 271 HG12 VAL 39 2HG1 VAL 39 3.441 -0.739 0.543 272 HG13 VAL 39 3HG1 VAL 39 3.064 0.250 -0.866 273 HG21 VAL 39 3HG2 VAL 39 6.181 1.497 -1.131 274 HG22 VAL 39 1HG2 VAL 39 4.749 1.245 -2.130 275 HG23 VAL 39 2HG2 VAL 39 6.216 0.317 -2.441 276 H LEU 40 H LEU 40 7.177 -2.921 0.297 277 HA LEU 40 HA LEU 40 9.552 -2.060 -1.224 278 HB2 LEU 40 1HB LEU 40 9.232 -3.831 1.122 279 HB3 LEU 40 2HB LEU 40 10.336 -4.405 -0.115 280 HG LEU 40 HG LEU 40 11.612 -3.237 1.529 281 HD11 LEU 40 1HD1 LEU 40 11.912 -2.785 -1.036 282 HD12 LEU 40 2HD1 LEU 40 12.851 -1.890 0.156 283 HD13 LEU 40 3HD1 LEU 40 11.433 -1.149 -0.585 284 HD21 LEU 40 3HD2 LEU 40 10.365 -1.814 2.764 285 HD22 LEU 40 1HD2 LEU 40 9.391 -1.296 1.388 286 HD23 LEU 40 2HD2 LEU 40 11.005 -0.627 1.628 287 H VAL 41 H VAL 41 10.093 -3.191 -3.038 288 HA VAL 41 HA VAL 41 8.188 -5.247 -3.914 289 HB VAL 41 HB VAL 41 10.221 -3.885 -5.676 290 HG11 VAL 41 1HG1 VAL 41 8.870 -4.592 -7.475 291 HG12 VAL 41 2HG1 VAL 41 7.524 -4.997 -6.408 292 HG13 VAL 41 3HG1 VAL 41 8.988 -5.982 -6.396 293 HG21 VAL 41 3HG2 VAL 41 9.052 -1.986 -5.817 294 HG22 VAL 41 1HG2 VAL 41 8.249 -2.497 -4.332 295 HG23 VAL 41 2HG2 VAL 41 7.512 -2.842 -5.896 296 H ASP 42 H ASP 42 8.858 -7.306 -4.337 297 HA ASP 42 HA ASP 42 11.254 -8.223 -3.212 298 HB2 ASP 42 1HB ASP 42 10.677 -10.400 -4.215 299 HB3 ASP 42 2HB ASP 42 9.288 -9.660 -3.425 300 H GLY 43 H GLY 43 13.211 -8.104 -3.934 301 HA2 GLY 43 1HA GLY 43 14.897 -7.400 -5.364 302 HA3 GLY 43 2HA GLY 43 14.484 -8.952 -6.056 303 H ARG 44 H ARG 44 12.692 -5.861 -6.205 304 HA ARG 44 HA ARG 44 13.213 -5.796 -9.097 305 HB2 ARG 44 1HB ARG 44 10.563 -5.737 -7.700 306 HB3 ARG 44 2HB ARG 44 10.762 -4.929 -9.249 307 HG2 ARG 44 1HG ARG 44 11.247 -7.848 -8.694 308 HG3 ARG 44 2HG ARG 44 9.855 -7.162 -9.532 309 HD2 ARG 44 1HD ARG 44 11.478 -6.208 -11.207 310 HD3 ARG 44 2HD ARG 44 12.731 -7.173 -10.431 311 HE ARG 44 HE ARG 44 11.862 -9.056 -11.409 312 HH11 ARG 44 1HH1 ARG 44 9.579 -6.425 -11.777 313 HH12 ARG 44 2HH1 ARG 44 8.575 -7.288 -12.892 314 HH21 ARG 44 1HH2 ARG 44 10.532 -10.191 -12.878 315 HH22 ARG 44 2HH2 ARG 44 9.114 -9.427 -13.516 316 HA PRO 45 HA PRO 45 14.121 -1.561 -8.050 317 HB2 PRO 45 1HB PRO 45 14.883 -0.729 -10.494 318 HB3 PRO 45 2HB PRO 45 15.887 -1.797 -9.508 319 HG2 PRO 45 1HG PRO 45 14.127 -2.454 -11.827 320 HG3 PRO 45 2HG PRO 45 15.717 -3.111 -11.402 321 HD2 PRO 45 1HD PRO 45 13.311 -4.370 -10.898 322 HD3 PRO 45 2HD PRO 45 14.818 -4.687 -10.019 323 H VAL 46 H VAL 46 12.179 -2.238 -10.982 324 HA VAL 46 HA VAL 46 10.488 0.066 -10.280 325 HB VAL 46 HB VAL 46 11.157 -0.725 -13.116 326 HG11 VAL 46 1HG1 VAL 46 8.992 0.389 -12.792 327 HG12 VAL 46 2HG1 VAL 46 10.119 1.385 -13.711 328 HG13 VAL 46 3HG1 VAL 46 9.816 1.739 -12.010 329 HG21 VAL 46 3HG2 VAL 46 12.309 1.678 -12.883 330 HG22 VAL 46 1HG2 VAL 46 13.175 0.169 -12.597 331 HG23 VAL 46 2HG2 VAL 46 12.543 1.094 -11.235 332 HA PRO 47 HA PRO 47 7.668 -3.518 -10.605 333 HB2 PRO 47 1HB PRO 47 5.866 -2.634 -8.816 334 HB3 PRO 47 2HB PRO 47 7.390 -3.377 -8.316 335 HG2 PRO 47 1HG PRO 47 6.659 -0.478 -8.478 336 HG3 PRO 47 2HG PRO 47 7.540 -1.338 -7.203 337 HD2 PRO 47 1HD PRO 47 8.766 0.146 -9.137 338 HD3 PRO 47 2HD PRO 47 9.530 -1.249 -8.347 339 H GLU 48 H GLU 48 7.188 -0.116 -11.115 340 HA GLU 48 HA GLU 48 4.500 -0.073 -11.898 341 HB2 GLU 48 1HB GLU 48 5.816 1.948 -11.425 342 HB3 GLU 48 2HB GLU 48 6.784 1.660 -12.864 343 HG2 GLU 48 1HG GLU 48 5.270 3.292 -13.518 344 HG3 GLU 48 2HG GLU 48 4.581 1.801 -14.153 345 H ASP 49 H ASP 49 7.300 -1.292 -13.550 346 HA ASP 49 HA ASP 49 6.048 -1.244 -16.166 347 HB2 ASP 49 1HB ASP 49 8.709 -2.130 -15.106 348 HB3 ASP 49 2HB ASP 49 8.186 -2.645 -16.706 349 H GLN 50 H GLN 50 5.011 -2.943 -13.785 350 HA GLN 50 HA GLN 50 5.135 -5.582 -15.070 351 HB2 GLN 50 1HB GLN 50 4.895 -4.663 -12.286 352 HB3 GLN 50 2HB GLN 50 3.805 -5.977 -12.702 353 HG2 GLN 50 1HG GLN 50 6.751 -6.082 -13.266 354 HG3 GLN 50 2HG GLN 50 6.055 -6.608 -11.736 355 HE21 GLN 50 2HE2 GLN 50 6.935 -8.697 -12.237 356 HE22 GLN 50 1HE2 GLN 50 6.092 -9.754 -13.312 357 H SER 51 H SER 51 3.158 -6.848 -15.203 358 HA SER 51 HA SER 51 0.989 -5.297 -16.251 359 HB2 SER 51 1HB SER 51 1.716 -7.533 -17.163 360 HB3 SER 51 2HB SER 51 1.024 -8.278 -15.720 361 HG SER 51 HG SER 51 -0.338 -6.759 -17.696 362 H VAL 52 H VAL 52 -1.338 -6.174 -15.583 363 HA VAL 52 HA VAL 52 -3.000 -6.296 -14.021 364 HB VAL 52 HB VAL 52 -0.902 -6.744 -11.893 365 HG11 VAL 52 1HG1 VAL 52 -3.045 -6.290 -10.961 366 HG12 VAL 52 2HG1 VAL 52 -2.777 -8.029 -10.834 367 HG13 VAL 52 3HG1 VAL 52 -3.837 -7.388 -12.089 368 HG21 VAL 52 3HG2 VAL 52 -1.760 -9.233 -12.396 369 HG22 VAL 52 1HG2 VAL 52 -0.330 -8.536 -13.157 370 HG23 VAL 52 2HG2 VAL 52 -1.867 -8.557 -14.022 371 H GLU 53 H GLU 53 -3.999 -4.961 -12.381 372 HA GLU 53 HA GLU 53 -2.758 -2.326 -12.246 373 HB2 GLU 53 1HB GLU 53 -4.952 -1.525 -11.518 374 HB3 GLU 53 2HB GLU 53 -5.077 -2.444 -13.010 375 HG2 GLU 53 1HG GLU 53 -5.479 -4.331 -11.021 376 HG3 GLU 53 2HG GLU 53 -6.319 -2.897 -10.436 377 H VAL 54 H VAL 54 -1.949 -4.696 -10.518 378 HA VAL 54 HA VAL 54 -1.734 -3.194 -8.064 379 HB VAL 54 HB VAL 54 -2.513 -5.053 -6.617 380 HG11 VAL 54 1HG1 VAL 54 -4.829 -4.543 -6.735 381 HG12 VAL 54 2HG1 VAL 54 -4.715 -4.127 -8.444 382 HG13 VAL 54 3HG1 VAL 54 -3.953 -3.096 -7.234 383 HG21 VAL 54 3HG2 VAL 54 -2.270 -6.798 -8.419 384 HG22 VAL 54 1HG2 VAL 54 -3.797 -6.210 -9.077 385 HG23 VAL 54 2HG2 VAL 54 -3.741 -6.894 -7.452 386 H ASP 55 H ASP 55 -0.266 -4.237 -6.501 387 HA ASP 55 HA ASP 55 1.428 -6.367 -7.537 388 HB2 ASP 55 1HB ASP 55 2.198 -3.534 -7.495 389 HB3 ASP 55 2HB ASP 55 3.341 -4.577 -6.657 390 H ARG 56 H ARG 56 2.622 -7.439 -5.913 391 HA ARG 56 HA ARG 56 1.645 -6.901 -3.204 392 HB2 ARG 56 1HB ARG 56 1.574 -9.220 -4.290 393 HB3 ARG 56 2HB ARG 56 3.318 -9.263 -4.072 394 HG2 ARG 56 1HG ARG 56 3.166 -9.635 -1.863 395 HG3 ARG 56 2HG ARG 56 1.784 -8.556 -1.667 396 HD2 ARG 56 1HD ARG 56 0.309 -10.267 -2.592 397 HD3 ARG 56 2HD ARG 56 1.688 -11.342 -2.825 398 HE ARG 56 HE ARG 56 0.291 -10.811 -0.369 399 HH11 ARG 56 1HH1 ARG 56 3.330 -11.876 -1.750 400 HH12 ARG 56 2HH1 ARG 56 3.800 -12.767 -0.342 401 HH21 ARG 56 1HH2 ARG 56 0.916 -11.993 1.484 402 HH22 ARG 56 2HH2 ARG 56 2.429 -12.836 1.494 403 H VAL 57 H VAL 57 2.866 -5.941 -1.724 404 HA VAL 57 HA VAL 57 5.793 -5.941 -2.058 405 HB VAL 57 HB VAL 57 5.817 -3.605 -1.168 406 HG11 VAL 57 1HG1 VAL 57 4.652 -2.694 -3.402 407 HG12 VAL 57 2HG1 VAL 57 4.787 -4.402 -3.818 408 HG13 VAL 57 3HG1 VAL 57 6.227 -3.481 -3.387 409 HG21 VAL 57 3HG2 VAL 57 2.892 -4.047 -1.244 410 HG22 VAL 57 1HG2 VAL 57 3.475 -2.461 -1.749 411 HG23 VAL 57 2HG2 VAL 57 3.865 -3.075 -0.141 412 H LYS 58 H LYS 58 6.940 -5.246 -0.021 413 HA LYS 58 HA LYS 58 5.651 -6.533 2.287 414 HB2 LYS 58 1HB LYS 58 8.543 -5.821 2.340 415 HB3 LYS 58 2HB LYS 58 7.718 -7.216 3.020 416 HG2 LYS 58 1HG LYS 58 7.402 -7.646 0.348 417 HG3 LYS 58 2HG LYS 58 8.983 -6.864 0.407 418 HD2 LYS 58 1HD LYS 58 9.765 -8.509 2.013 419 HD3 LYS 58 2HD LYS 58 8.168 -9.260 2.054 420 HE2 LYS 58 1HE LYS 58 9.115 -10.645 0.535 421 HE3 LYS 58 2HE LYS 58 8.627 -9.370 -0.580 422 HZ1 LYS 58 3HZ LYS 58 11.022 -8.480 0.142 423 HZ2 LYS 58 1HZ LYS 58 10.782 -9.513 -1.177 424 HZ3 LYS 58 2HZ LYS 58 11.288 -10.143 0.308 425 H VAL 59 H VAL 59 5.297 -5.454 4.175 426 HA VAL 59 HA VAL 59 5.944 -2.583 4.179 427 HB VAL 59 HB VAL 59 4.170 -2.471 6.012 428 HG11 VAL 59 1HG1 VAL 59 3.341 -3.231 3.214 429 HG12 VAL 59 2HG1 VAL 59 3.799 -1.620 3.769 430 HG13 VAL 59 3HG1 VAL 59 2.337 -2.384 4.390 431 HG21 VAL 59 3HG2 VAL 59 3.205 -5.065 4.844 432 HG22 VAL 59 1HG2 VAL 59 2.617 -4.208 6.270 433 HG23 VAL 59 2HG2 VAL 59 4.189 -5.006 6.305 434 H LEU 60 H LEU 60 7.026 -1.636 5.842 435 HA LEU 60 HA LEU 60 8.022 -3.430 7.963 436 HB2 LEU 60 1HB LEU 60 9.525 -2.161 6.063 437 HB3 LEU 60 2HB LEU 60 9.593 -1.012 7.385 438 HG LEU 60 HG LEU 60 10.311 -3.925 7.694 439 HD11 LEU 60 1HD1 LEU 60 12.682 -2.741 7.819 440 HD12 LEU 60 2HD1 LEU 60 11.896 -1.623 6.702 441 HD13 LEU 60 3HD1 LEU 60 12.008 -3.336 6.301 442 HD21 LEU 60 3HD2 LEU 60 11.217 -1.648 9.414 443 HD22 LEU 60 1HD2 LEU 60 11.129 -3.366 9.794 444 HD23 LEU 60 2HD2 LEU 60 9.651 -2.411 9.682 445 H ARG 61 H ARG 61 7.352 -2.933 9.945 446 HA ARG 61 HA ARG 61 6.860 -0.113 10.609 447 HB2 ARG 61 1HB ARG 61 4.785 -1.753 10.137 448 HB3 ARG 61 2HB ARG 61 5.049 -2.120 11.836 449 HG2 ARG 61 1HG ARG 61 3.584 -0.411 12.070 450 HG3 ARG 61 2HG ARG 61 5.078 0.527 12.012 451 HD2 ARG 61 1HD ARG 61 4.749 0.909 9.622 452 HD3 ARG 61 2HD ARG 61 3.270 -0.049 9.665 453 HE ARG 61 HE ARG 61 2.167 1.746 10.565 454 HH11 ARG 61 1HH1 ARG 61 5.614 2.323 10.789 455 HH12 ARG 61 2HH1 ARG 61 5.432 3.974 11.280 456 HH21 ARG 61 1HH2 ARG 61 1.932 3.925 11.214 457 HH22 ARG 61 2HH2 ARG 61 3.341 4.883 11.523 458 H LEU 62 H LEU 62 6.816 -3.333 12.171 459 HA LEU 62 HA LEU 62 8.166 -2.180 14.493 460 HB2 LEU 62 1HB LEU 62 7.029 -4.957 14.154 461 HB3 LEU 62 2HB LEU 62 7.577 -4.227 15.650 462 HG LEU 62 HG LEU 62 5.663 -2.445 14.837 463 HD11 LEU 62 1HD1 LEU 62 4.428 -5.126 14.327 464 HD12 LEU 62 2HD1 LEU 62 5.143 -4.187 13.016 465 HD13 LEU 62 3HD1 LEU 62 3.806 -3.519 13.948 466 HD21 LEU 62 3HD2 LEU 62 5.797 -4.688 16.763 467 HD22 LEU 62 1HD2 LEU 62 4.207 -3.994 16.447 468 HD23 LEU 62 2HD2 LEU 62 5.515 -2.969 17.036 469 H ILE 63 H ILE 63 10.317 -2.212 14.492 470 HA ILE 63 HA ILE 63 11.806 -4.057 12.854 471 HB ILE 63 HB ILE 63 12.559 -1.724 13.149 472 HG12 ILE 63 1HG1 ILE 63 14.615 -3.585 14.340 473 HG13 ILE 63 2HG1 ILE 63 14.133 -3.672 12.648 474 HG21 ILE 63 1HG2 ILE 63 11.999 -1.197 15.370 475 HG22 ILE 63 2HG2 ILE 63 13.763 -1.191 15.318 476 HG23 ILE 63 3HG2 ILE 63 12.905 -2.567 16.011 477 HD11 ILE 63 3HD1 ILE 63 15.884 -2.293 12.380 478 HD12 ILE 63 1HD1 ILE 63 15.817 -1.710 14.043 479 HD13 ILE 63 2HD1 ILE 63 14.712 -1.055 12.835 480 H LYS 64 H LYS 64 13.335 -5.585 13.579 481 HA LYS 64 HA LYS 64 14.196 -7.239 14.876 482 HB2 LYS 64 1HB LYS 64 13.453 -5.211 16.897 483 HB3 LYS 64 2HB LYS 64 13.642 -6.854 17.491 484 HG2 LYS 64 1HG LYS 64 15.882 -6.754 16.135 485 HG3 LYS 64 2HG LYS 64 15.663 -5.012 16.326 486 HD2 LYS 64 1HD LYS 64 15.318 -6.710 18.736 487 HD3 LYS 64 2HD LYS 64 16.958 -6.497 18.119 488 HE2 LYS 64 1HE LYS 64 16.713 -4.757 19.651 489 HE3 LYS 64 2HE LYS 64 16.412 -3.990 18.092 490 HZ1 LYS 64 3HZ LYS 64 14.272 -4.974 19.902 491 HZ2 LYS 64 1HZ LYS 64 14.070 -4.066 18.489 492 HZ3 LYS 64 2HZ LYS 64 14.801 -3.370 19.844 493 H GLY 65 H GLY 65 13.561 -9.183 15.902 494 HA2 GLY 65 1HA GLY 65 11.900 -10.533 17.016 495 HA3 GLY 65 2HA GLY 65 10.659 -9.508 16.311 496 H GLY 66 H GLY 66 13.326 -11.648 15.278 497 HA2 GLY 66 1HA GLY 66 11.970 -13.568 13.951 498 HA3 GLY 66 2HA GLY 66 11.970 -12.246 12.793 Start of MODEL 4 1 H1 MET 1 1H MET 1 -8.270 -2.327 -3.670 2 H2 MET 1 2H MET 1 -7.786 -2.297 -5.313 3 H3 MET 1 3H MET 1 -9.203 -1.468 -4.820 4 HA MET 1 HA MET 1 -7.100 -0.168 -5.248 5 HB2 MET 1 1HB MET 1 -7.691 1.355 -3.331 6 HB3 MET 1 2HB MET 1 -9.031 0.886 -4.362 7 HG2 MET 1 1HG MET 1 -9.263 -1.006 -2.494 8 HG3 MET 1 2HG MET 1 -8.497 0.253 -1.528 9 HE1 MET 1 3HE MET 1 -11.107 3.209 -2.534 10 HE2 MET 1 1HE MET 1 -9.678 2.685 -3.421 11 HE3 MET 1 2HE MET 1 -9.592 2.930 -1.678 12 H ASN 2 H ASN 2 -7.321 -1.688 -2.000 13 HA ASN 2 HA ASN 2 -4.552 -1.017 -1.476 14 HB2 ASN 2 1HB ASN 2 -6.595 -2.516 0.182 15 HB3 ASN 2 2HB ASN 2 -4.958 -2.150 0.715 16 HD21 ASN 2 2HD2 ASN 2 -6.142 -1.098 2.482 17 HD22 ASN 2 1HD2 ASN 2 -6.670 0.532 2.261 18 H VAL 3 H VAL 3 -2.863 -2.453 -1.279 19 HA VAL 3 HA VAL 3 -3.299 -5.079 -2.520 20 HB VAL 3 HB VAL 3 -0.848 -5.121 -2.881 21 HG11 VAL 3 1HG1 VAL 3 -1.645 -4.402 -4.844 22 HG12 VAL 3 2HG1 VAL 3 -1.002 -2.833 -4.358 23 HG13 VAL 3 3HG1 VAL 3 -2.704 -3.210 -4.090 24 HG21 VAL 3 3HG2 VAL 3 0.581 -3.364 -2.360 25 HG22 VAL 3 1HG2 VAL 3 -0.447 -3.470 -0.932 26 HG23 VAL 3 2HG2 VAL 3 -0.741 -2.220 -2.139 27 H THR 4 H THR 4 -2.726 -6.966 -1.517 28 HA THR 4 HA THR 4 -2.531 -6.901 1.342 29 HB THR 4 HB THR 4 -2.217 -9.286 -0.495 30 HG1 THR 4 HG1 THR 4 -4.198 -8.572 -0.965 31 HG21 THR 4 3HG2 THR 4 -1.719 -9.346 2.103 32 HG22 THR 4 1HG2 THR 4 -2.538 -10.666 1.269 33 HG23 THR 4 2HG2 THR 4 -3.476 -9.478 2.175 34 H VAL 5 H VAL 5 -0.725 -6.538 2.415 35 HA VAL 5 HA VAL 5 1.832 -7.401 1.228 36 HB VAL 5 HB VAL 5 2.888 -5.613 2.627 37 HG11 VAL 5 1HG1 VAL 5 2.522 -3.921 1.062 38 HG12 VAL 5 2HG1 VAL 5 0.845 -4.396 0.799 39 HG13 VAL 5 3HG1 VAL 5 2.153 -5.401 0.178 40 HG21 VAL 5 3HG2 VAL 5 1.560 -3.876 3.603 41 HG22 VAL 5 1HG2 VAL 5 0.991 -5.416 4.245 42 HG23 VAL 5 2HG2 VAL 5 0.074 -4.593 2.985 43 H GLU 6 H GLU 6 3.214 -8.627 2.414 44 HA GLU 6 HA GLU 6 2.151 -9.837 4.809 45 HB2 GLU 6 1HB GLU 6 4.169 -11.270 4.719 46 HB3 GLU 6 2HB GLU 6 3.258 -11.282 3.216 47 HG2 GLU 6 1HG GLU 6 5.081 -10.723 2.102 48 HG3 GLU 6 2HG GLU 6 5.205 -9.230 3.029 49 H VAL 7 H VAL 7 2.422 -9.018 6.755 50 HA VAL 7 HA VAL 7 4.524 -7.067 7.247 51 HB VAL 7 HB VAL 7 2.414 -8.021 9.192 52 HG11 VAL 7 1HG1 VAL 7 3.801 -6.843 10.536 53 HG12 VAL 7 2HG1 VAL 7 2.915 -5.473 9.865 54 HG13 VAL 7 3HG1 VAL 7 4.489 -5.916 9.203 55 HG21 VAL 7 3HG2 VAL 7 2.078 -6.475 6.803 56 HG22 VAL 7 1HG2 VAL 7 1.747 -5.466 8.211 57 HG23 VAL 7 2HG2 VAL 7 0.869 -6.978 7.985 58 H VAL 8 H VAL 8 6.306 -7.418 8.455 59 HA VAL 8 HA VAL 8 7.240 -10.001 8.938 60 HB VAL 8 HB VAL 8 8.164 -7.534 10.425 61 HG11 VAL 8 1HG1 VAL 8 10.064 -9.617 9.568 62 HG12 VAL 8 2HG1 VAL 8 8.928 -10.092 10.831 63 HG13 VAL 8 3HG1 VAL 8 9.983 -8.701 11.073 64 HG21 VAL 8 3HG2 VAL 8 9.887 -7.454 8.536 65 HG22 VAL 8 1HG2 VAL 8 8.261 -6.881 8.173 66 HG23 VAL 8 2HG2 VAL 8 8.770 -8.481 7.638 67 H GLY 9 H GLY 9 6.674 -11.460 10.398 68 HA2 GLY 9 1HA GLY 9 6.519 -12.074 12.747 69 HA3 GLY 9 2HA GLY 9 5.694 -10.541 13.030 70 H GLU 10 H GLU 10 3.565 -10.694 13.294 71 HA GLU 10 HA GLU 10 2.146 -12.896 11.945 72 HB2 GLU 10 1HB GLU 10 2.439 -12.699 14.628 73 HB3 GLU 10 2HB GLU 10 0.956 -11.777 14.413 74 HG2 GLU 10 1HG GLU 10 0.324 -14.003 14.877 75 HG3 GLU 10 2HG GLU 10 0.030 -13.739 13.159 76 H GLU 11 H GLU 11 -0.141 -12.494 11.495 77 HA GLU 11 HA GLU 11 -1.910 -11.297 10.724 78 HB2 GLU 11 1HB GLU 11 -1.551 -9.959 12.853 79 HB3 GLU 11 2HB GLU 11 -0.660 -8.805 11.874 80 HG2 GLU 11 1HG GLU 11 -2.519 -7.903 11.030 81 HG3 GLU 11 2HG GLU 11 -3.281 -9.473 10.782 82 H THR 12 H THR 12 -2.489 -10.147 8.886 83 HA THR 12 HA THR 12 -0.241 -9.149 7.259 84 HB THR 12 HB THR 12 -1.201 -11.274 6.418 85 HG1 THR 12 HG1 THR 12 -0.736 -10.524 4.533 86 HG21 THR 12 3HG2 THR 12 -3.401 -11.225 5.297 87 HG22 THR 12 1HG2 THR 12 -3.725 -9.675 6.074 88 HG23 THR 12 2HG2 THR 12 -3.503 -11.123 7.055 89 H SER 13 H SER 13 -0.407 -7.173 6.353 90 HA SER 13 HA SER 13 -2.913 -5.688 6.811 91 HB2 SER 13 1HB SER 13 -0.033 -4.885 7.014 92 HB3 SER 13 2HB SER 13 -1.241 -3.666 6.612 93 HG SER 13 HG SER 13 -2.192 -3.947 8.552 94 H GLU 14 H GLU 14 -3.330 -3.900 5.261 95 HA GLU 14 HA GLU 14 -2.309 -4.516 2.569 96 HB2 GLU 14 1HB GLU 14 -5.151 -3.963 3.412 97 HB3 GLU 14 2HB GLU 14 -4.617 -3.835 1.742 98 HG2 GLU 14 1HG GLU 14 -4.560 -6.054 1.451 99 HG3 GLU 14 2HG GLU 14 -3.896 -6.351 3.058 100 H VAL 15 H VAL 15 -1.647 -2.824 1.364 101 HA VAL 15 HA VAL 15 -2.177 -0.116 2.412 102 HB VAL 15 HB VAL 15 0.149 -0.780 2.823 103 HG11 VAL 15 1HG1 VAL 15 0.896 -0.710 -0.029 104 HG12 VAL 15 2HG1 VAL 15 0.068 -2.163 0.526 105 HG13 VAL 15 3HG1 VAL 15 1.566 -1.652 1.300 106 HG21 VAL 15 3HG2 VAL 15 -0.338 1.571 2.430 107 HG22 VAL 15 1HG2 VAL 15 -0.113 1.343 0.697 108 HG23 VAL 15 2HG2 VAL 15 1.252 1.149 1.796 109 H ALA 16 H ALA 16 -2.484 1.554 0.914 110 HA ALA 16 HA ALA 16 -3.510 0.697 -1.651 111 HB1 ALA 16 3HB ALA 16 -4.882 2.262 -0.553 112 HB2 ALA 16 1HB ALA 16 -4.098 3.160 -1.853 113 HB3 ALA 16 2HB ALA 16 -3.522 3.326 -0.195 114 H VAL 17 H VAL 17 -2.569 0.987 -3.584 115 HA VAL 17 HA VAL 17 0.004 2.430 -3.659 116 HB VAL 17 HB VAL 17 0.626 0.932 -5.555 117 HG11 VAL 17 1HG1 VAL 17 1.637 -0.476 -4.127 118 HG12 VAL 17 2HG1 VAL 17 0.119 -0.976 -3.380 119 HG13 VAL 17 3HG1 VAL 17 0.888 0.531 -2.888 120 HG21 VAL 17 3HG2 VAL 17 -0.618 -0.941 -6.164 121 HG22 VAL 17 1HG2 VAL 17 -1.843 0.312 -5.972 122 HG23 VAL 17 2HG2 VAL 17 -1.602 -0.887 -4.703 123 H ASP 18 H ASP 18 0.640 3.327 -5.739 124 HA ASP 18 HA ASP 18 -1.497 4.841 -6.950 125 HB2 ASP 18 1HB ASP 18 0.801 5.758 -6.411 126 HB3 ASP 18 2HB ASP 18 1.427 4.778 -7.728 127 H ASP 19 H ASP 19 0.703 2.250 -7.885 128 HA ASP 19 HA ASP 19 0.352 2.125 -10.608 129 HB2 ASP 19 1HB ASP 19 0.813 -0.012 -8.542 130 HB3 ASP 19 2HB ASP 19 0.631 -0.436 -10.241 131 H ASP 20 H ASP 20 -1.894 1.093 -8.116 132 HA ASP 20 HA ASP 20 -3.575 -0.450 -9.791 133 HB2 ASP 20 1HB ASP 20 -3.432 -0.244 -7.162 134 HB3 ASP 20 2HB ASP 20 -4.677 0.974 -7.410 135 H GLY 21 H GLY 21 -3.892 2.915 -8.600 136 HA2 GLY 21 1HA GLY 21 -4.742 4.734 -9.804 137 HA3 GLY 21 2HA GLY 21 -5.299 3.622 -11.051 138 H THR 22 H THR 22 -6.079 3.025 -7.699 139 HA THR 22 HA THR 22 -8.904 3.320 -8.315 140 HB THR 22 HB THR 22 -8.922 2.581 -5.731 141 HG1 THR 22 HG1 THR 22 -6.734 2.578 -5.406 142 HG21 THR 22 3HG2 THR 22 -8.393 0.152 -6.805 143 HG22 THR 22 1HG2 THR 22 -8.836 1.080 -8.237 144 HG23 THR 22 2HG2 THR 22 -9.954 0.969 -6.877 145 H TYR 23 H TYR 23 -10.214 4.168 -6.246 146 HA TYR 23 HA TYR 23 -9.904 6.941 -6.176 147 HB2 TYR 23 1HB TYR 23 -11.417 5.034 -4.397 148 HB3 TYR 23 2HB TYR 23 -11.447 6.772 -4.125 149 HD1 TYR 23 HD1 TYR 23 -12.217 4.160 -6.659 150 HD2 TYR 23 HD2 TYR 23 -12.914 8.148 -5.345 151 HE1 TYR 23 HE1 TYR 23 -14.026 4.379 -8.305 152 HE2 TYR 23 HE2 TYR 23 -14.727 8.375 -6.990 153 HH TYR 23 HH TYR 23 -15.151 6.369 -9.554 154 H ALA 24 H ALA 24 -8.684 4.445 -4.002 155 HA ALA 24 HA ALA 24 -7.832 6.048 -1.871 156 HB1 ALA 24 3HB ALA 24 -6.941 3.397 -2.940 157 HB2 ALA 24 1HB ALA 24 -7.773 3.770 -1.430 158 HB3 ALA 24 2HB ALA 24 -6.064 4.167 -1.618 159 H ASP 25 H ASP 25 -6.307 5.300 -4.961 160 HA ASP 25 HA ASP 25 -3.749 6.313 -4.427 161 HB2 ASP 25 1HB ASP 25 -4.252 4.940 -6.398 162 HB3 ASP 25 2HB ASP 25 -5.248 6.231 -7.055 163 H LEU 26 H LEU 26 -6.655 7.917 -5.725 164 HA LEU 26 HA LEU 26 -5.498 10.418 -6.248 165 HB2 LEU 26 1HB LEU 26 -7.856 9.495 -6.830 166 HB3 LEU 26 2HB LEU 26 -8.319 10.131 -5.263 167 HG LEU 26 HG LEU 26 -7.097 12.307 -6.348 168 HD11 LEU 26 1HD1 LEU 26 -8.391 12.280 -8.679 169 HD12 LEU 26 2HD1 LEU 26 -8.003 10.564 -8.564 170 HD13 LEU 26 3HD1 LEU 26 -6.712 11.763 -8.517 171 HD21 LEU 26 3HD2 LEU 26 -9.191 12.475 -5.269 172 HD22 LEU 26 1HD2 LEU 26 -9.967 11.413 -6.445 173 HD23 LEU 26 2HD2 LEU 26 -9.457 13.031 -6.923 174 H VAL 27 H VAL 27 -7.051 9.165 -3.312 175 HA VAL 27 HA VAL 27 -6.829 11.549 -1.799 176 HB VAL 27 HB VAL 27 -6.928 8.737 -0.693 177 HG11 VAL 27 1HG1 VAL 27 -6.633 9.961 1.186 178 HG12 VAL 27 2HG1 VAL 27 -8.367 10.226 1.011 179 HG13 VAL 27 3HG1 VAL 27 -7.227 11.447 0.445 180 HG21 VAL 27 3HG2 VAL 27 -8.844 8.611 -1.893 181 HG22 VAL 27 1HG2 VAL 27 -9.002 10.361 -2.036 182 HG23 VAL 27 2HG2 VAL 27 -9.484 9.549 -0.546 183 H ARG 28 H ARG 28 -4.840 8.584 -1.849 184 HA ARG 28 HA ARG 28 -2.934 9.393 0.036 185 HB2 ARG 28 1HB ARG 28 -3.259 7.075 -0.914 186 HB3 ARG 28 2HB ARG 28 -2.392 7.615 -2.343 187 HG2 ARG 28 1HG ARG 28 -0.610 8.323 -0.487 188 HG3 ARG 28 2HG ARG 28 -1.390 6.990 0.365 189 HD2 ARG 28 1HD ARG 28 -0.058 5.618 -0.777 190 HD3 ARG 28 2HD ARG 28 -1.008 6.022 -2.205 191 HE ARG 28 HE ARG 28 0.761 7.230 -2.995 192 HH11 ARG 28 1HH1 ARG 28 1.250 6.706 0.435 193 HH12 ARG 28 2HH1 ARG 28 2.854 7.356 0.430 194 HH21 ARG 28 1HH2 ARG 28 2.874 8.086 -2.993 195 HH22 ARG 28 2HH2 ARG 28 3.777 8.141 -1.516 196 H ALA 29 H ALA 29 -3.135 9.990 -3.442 197 HA ALA 29 HA ALA 29 -0.562 10.992 -3.885 198 HB1 ALA 29 3HB ALA 29 -1.377 11.881 -5.912 199 HB2 ALA 29 1HB ALA 29 -3.020 12.017 -5.283 200 HB3 ALA 29 2HB ALA 29 -2.330 10.428 -5.613 201 H VAL 30 H VAL 30 -3.330 12.467 -2.356 202 HA VAL 30 HA VAL 30 -2.104 15.116 -2.387 203 HB VAL 30 HB VAL 30 -4.716 14.354 -1.079 204 HG11 VAL 30 1HG1 VAL 30 -3.299 16.879 -1.669 205 HG12 VAL 30 2HG1 VAL 30 -4.396 16.472 -0.351 206 HG13 VAL 30 3HG1 VAL 30 -5.041 16.876 -1.942 207 HG21 VAL 30 3HG2 VAL 30 -5.512 15.515 -3.371 208 HG22 VAL 30 1HG2 VAL 30 -5.354 13.771 -3.167 209 HG23 VAL 30 2HG2 VAL 30 -4.062 14.687 -3.939 210 H ASP 31 H ASP 31 -1.027 12.760 -0.814 211 HA ASP 31 HA ASP 31 -0.053 12.344 1.183 212 HB2 ASP 31 1HB ASP 31 -0.327 15.324 1.228 213 HB3 ASP 31 2HB ASP 31 0.183 14.501 2.696 214 H LEU 32 H LEU 32 -2.624 11.554 1.102 215 HA LEU 32 HA LEU 32 -3.568 12.132 3.832 216 HB2 LEU 32 1HB LEU 32 -5.139 12.026 1.278 217 HB3 LEU 32 2HB LEU 32 -5.906 11.641 2.806 218 HG LEU 32 HG LEU 32 -4.446 14.150 2.941 219 HD11 LEU 32 1HD1 LEU 32 -6.498 15.159 1.530 220 HD12 LEU 32 2HD1 LEU 32 -6.215 13.668 0.632 221 HD13 LEU 32 3HD1 LEU 32 -4.907 14.832 0.843 222 HD21 LEU 32 3HD2 LEU 32 -6.454 13.000 4.302 223 HD22 LEU 32 1HD2 LEU 32 -7.386 14.024 3.208 224 HD23 LEU 32 2HD2 LEU 32 -6.176 14.741 4.272 225 H SER 33 H SER 33 -1.856 10.042 3.300 226 HA SER 33 HA SER 33 -3.397 7.630 2.872 227 HB2 SER 33 1HB SER 33 -0.988 7.946 2.114 228 HB3 SER 33 2HB SER 33 -0.527 7.798 3.809 229 HG SER 33 HG SER 33 -1.978 5.853 2.327 230 HA PRO 34 HA PRO 34 -4.323 7.365 7.250 231 HB2 PRO 34 1HB PRO 34 -5.975 5.247 7.113 232 HB3 PRO 34 2HB PRO 34 -6.461 6.851 6.549 233 HG2 PRO 34 1HG PRO 34 -5.524 4.489 4.970 234 HG3 PRO 34 2HG PRO 34 -6.838 5.623 4.615 235 HD2 PRO 34 1HD PRO 34 -4.345 5.766 3.484 236 HD3 PRO 34 2HD PRO 34 -5.420 7.161 3.689 237 H HIS 35 H HIS 35 -3.175 4.663 5.277 238 HA HIS 35 HA HIS 35 -2.496 3.010 7.525 239 HB2 HIS 35 1HB HIS 35 -1.406 2.683 4.732 240 HB3 HIS 35 2HB HIS 35 -1.667 1.444 5.952 241 HD1 HIS 35 HD1 HIS 35 -3.334 3.235 3.190 242 HD2 HIS 35 HD2 HIS 35 -4.405 0.673 6.281 243 HE1 HIS 35 HE1 HIS 35 -5.657 2.449 2.636 244 HE2 HIS 35 HE2 HIS 35 -6.323 0.984 4.576 245 H GLU 36 H GLU 36 -0.710 5.108 5.290 246 HA GLU 36 HA GLU 36 1.432 5.878 5.280 247 HB2 GLU 36 1HB GLU 36 0.225 6.872 7.399 248 HB3 GLU 36 2HB GLU 36 1.389 5.887 8.272 249 HG2 GLU 36 1HG GLU 36 3.120 7.221 7.746 250 HG3 GLU 36 2HG GLU 36 2.508 7.557 6.127 251 H VAL 37 H VAL 37 1.812 3.453 4.671 252 HA VAL 37 HA VAL 37 3.859 2.389 6.512 253 HB VAL 37 HB VAL 37 3.324 0.118 5.572 254 HG11 VAL 37 1HG1 VAL 37 2.473 0.172 7.657 255 HG12 VAL 37 2HG1 VAL 37 0.928 0.190 6.808 256 HG13 VAL 37 3HG1 VAL 37 1.631 1.699 7.390 257 HG21 VAL 37 3HG2 VAL 37 1.620 -0.278 4.138 258 HG22 VAL 37 1HG2 VAL 37 1.923 1.395 3.671 259 HG23 VAL 37 2HG2 VAL 37 0.619 1.016 4.795 260 H THR 38 H THR 38 5.739 1.561 5.619 261 HA THR 38 HA THR 38 6.407 2.599 2.994 262 HB THR 38 HB THR 38 8.270 1.002 4.735 263 HG1 THR 38 HG1 THR 38 7.808 2.446 6.214 264 HG21 THR 38 3HG2 THR 38 9.847 2.839 3.886 265 HG22 THR 38 1HG2 THR 38 8.603 3.138 2.673 266 HG23 THR 38 2HG2 THR 38 9.373 1.553 2.778 267 H VAL 39 H VAL 39 6.201 1.449 1.196 268 HA VAL 39 HA VAL 39 5.827 -1.430 1.346 269 HB VAL 39 HB VAL 39 5.210 -1.322 -1.011 270 HG11 VAL 39 1HG1 VAL 39 3.286 -0.978 0.133 271 HG12 VAL 39 2HG1 VAL 39 3.377 0.590 -0.668 272 HG13 VAL 39 3HG1 VAL 39 3.918 0.421 1.001 273 HG21 VAL 39 3HG2 VAL 39 5.002 0.983 -2.063 274 HG22 VAL 39 1HG2 VAL 39 6.628 0.318 -1.934 275 HG23 VAL 39 2HG2 VAL 39 6.087 1.548 -0.795 276 H LEU 40 H LEU 40 7.223 -2.946 0.657 277 HA LEU 40 HA LEU 40 9.836 -2.032 -0.348 278 HB2 LEU 40 1HB LEU 40 8.974 -4.193 1.477 279 HB3 LEU 40 2HB LEU 40 10.258 -4.618 0.358 280 HG LEU 40 HG LEU 40 11.592 -2.713 1.207 281 HD11 LEU 40 1HD1 LEU 40 9.281 -1.682 2.129 282 HD12 LEU 40 2HD1 LEU 40 10.870 -1.225 2.737 283 HD13 LEU 40 3HD1 LEU 40 9.905 -2.419 3.604 284 HD21 LEU 40 3HD2 LEU 40 11.917 -4.951 2.113 285 HD22 LEU 40 1HD2 LEU 40 10.661 -4.657 3.316 286 HD23 LEU 40 2HD2 LEU 40 12.159 -3.725 3.357 287 H VAL 41 H VAL 41 10.770 -2.991 -2.150 288 HA VAL 41 HA VAL 41 8.907 -4.509 -3.839 289 HB VAL 41 HB VAL 41 11.475 -3.202 -4.736 290 HG11 VAL 41 1HG1 VAL 41 10.514 -4.959 -6.186 291 HG12 VAL 41 2HG1 VAL 41 10.525 -3.370 -6.951 292 HG13 VAL 41 3HG1 VAL 41 9.024 -4.021 -6.292 293 HG21 VAL 41 3HG2 VAL 41 10.367 -1.306 -4.086 294 HG22 VAL 41 1HG2 VAL 41 8.773 -2.029 -4.308 295 HG23 VAL 41 2HG2 VAL 41 9.708 -1.505 -5.709 296 H ASP 42 H ASP 42 9.439 -6.506 -4.631 297 HA ASP 42 HA ASP 42 11.259 -8.058 -3.174 298 HB2 ASP 42 1HB ASP 42 10.632 -9.880 -4.674 299 HB3 ASP 42 2HB ASP 42 9.206 -8.983 -4.167 300 H GLY 43 H GLY 43 13.327 -8.241 -3.392 301 HA2 GLY 43 1HA GLY 43 15.325 -8.580 -4.465 302 HA3 GLY 43 2HA GLY 43 14.563 -8.269 -6.005 303 H ARG 44 H ARG 44 13.921 -5.923 -6.356 304 HA ARG 44 HA ARG 44 15.862 -4.086 -5.116 305 HB2 ARG 44 1HB ARG 44 15.188 -4.004 -8.055 306 HB3 ARG 44 2HB ARG 44 16.463 -3.135 -7.214 307 HG2 ARG 44 1HG ARG 44 17.814 -5.015 -7.049 308 HG3 ARG 44 2HG ARG 44 16.465 -6.125 -7.307 309 HD2 ARG 44 1HD ARG 44 16.302 -5.447 -9.624 310 HD3 ARG 44 2HD ARG 44 17.564 -4.239 -9.389 311 HE ARG 44 HE ARG 44 18.738 -6.591 -8.663 312 HH11 ARG 44 1HH1 ARG 44 17.123 -5.453 -11.556 313 HH12 ARG 44 2HH1 ARG 44 18.042 -6.472 -12.612 314 HH21 ARG 44 1HH2 ARG 44 19.943 -7.925 -10.058 315 HH22 ARG 44 2HH2 ARG 44 19.643 -7.875 -11.762 316 HA PRO 45 HA PRO 45 12.304 -1.470 -4.687 317 HB2 PRO 45 1HB PRO 45 13.490 0.896 -4.212 318 HB3 PRO 45 2HB PRO 45 13.548 -0.432 -3.047 319 HG2 PRO 45 1HG PRO 45 15.622 0.441 -5.026 320 HG3 PRO 45 2HG PRO 45 15.824 -0.018 -3.326 321 HD2 PRO 45 1HD PRO 45 16.334 -1.708 -5.402 322 HD3 PRO 45 2HD PRO 45 15.806 -2.265 -3.800 323 H VAL 46 H VAL 46 12.762 -2.025 -7.387 324 HA VAL 46 HA VAL 46 11.854 0.447 -8.609 325 HB VAL 46 HB VAL 46 14.191 -1.056 -9.810 326 HG11 VAL 46 1HG1 VAL 46 13.134 -0.156 -11.631 327 HG12 VAL 46 2HG1 VAL 46 14.186 1.184 -11.182 328 HG13 VAL 46 3HG1 VAL 46 12.485 1.209 -10.722 329 HG21 VAL 46 3HG2 VAL 46 15.003 0.144 -7.893 330 HG22 VAL 46 1HG2 VAL 46 14.143 1.602 -8.386 331 HG23 VAL 46 2HG2 VAL 46 15.494 1.009 -9.351 332 HA PRO 47 HA PRO 47 9.326 -2.907 -10.293 333 HB2 PRO 47 1HB PRO 47 7.774 -0.729 -11.509 334 HB3 PRO 47 2HB PRO 47 7.267 -1.936 -10.325 335 HG2 PRO 47 1HG PRO 47 7.570 0.656 -9.670 336 HG3 PRO 47 2HG PRO 47 7.944 -0.652 -8.531 337 HD2 PRO 47 1HD PRO 47 9.814 0.969 -10.230 338 HD3 PRO 47 2HD PRO 47 9.970 0.494 -8.524 339 H GLU 48 H GLU 48 11.616 -2.701 -11.639 340 HA GLU 48 HA GLU 48 11.425 -1.665 -14.277 341 HB2 GLU 48 1HB GLU 48 13.445 -3.138 -14.692 342 HB3 GLU 48 2HB GLU 48 13.610 -1.956 -13.402 343 HG2 GLU 48 1HG GLU 48 13.419 -3.603 -11.728 344 HG3 GLU 48 2HG GLU 48 12.838 -4.810 -12.874 345 H ASP 49 H ASP 49 10.717 -4.807 -12.843 346 HA ASP 49 HA ASP 49 10.310 -6.119 -15.370 347 HB2 ASP 49 1HB ASP 49 10.564 -6.909 -12.652 348 HB3 ASP 49 2HB ASP 49 9.009 -7.504 -13.226 349 H GLN 50 H GLN 50 8.381 -4.122 -13.331 350 HA GLN 50 HA GLN 50 6.236 -3.400 -13.434 351 HB2 GLN 50 1HB GLN 50 7.023 -3.648 -16.044 352 HB3 GLN 50 2HB GLN 50 5.578 -4.647 -16.014 353 HG2 GLN 50 1HG GLN 50 5.187 -2.108 -14.666 354 HG3 GLN 50 2HG GLN 50 5.682 -1.911 -16.346 355 HE21 GLN 50 2HE2 GLN 50 4.482 -3.960 -17.621 356 HE22 GLN 50 1HE2 GLN 50 2.765 -3.846 -17.479 357 H SER 51 H SER 51 3.871 -4.219 -13.851 358 HA SER 51 HA SER 51 3.394 -7.021 -13.762 359 HB2 SER 51 1HB SER 51 4.367 -6.241 -11.402 360 HB3 SER 51 2HB SER 51 2.685 -5.778 -11.144 361 HG SER 51 HG SER 51 3.073 -7.921 -10.476 362 H VAL 52 H VAL 52 1.017 -7.141 -12.393 363 HA VAL 52 HA VAL 52 -0.768 -5.851 -14.201 364 HB VAL 52 HB VAL 52 -2.571 -6.808 -12.744 365 HG11 VAL 52 1HG1 VAL 52 -0.412 -8.452 -13.970 366 HG12 VAL 52 2HG1 VAL 52 -2.086 -8.225 -14.475 367 HG13 VAL 52 3HG1 VAL 52 -1.715 -9.262 -13.099 368 HG21 VAL 52 3HG2 VAL 52 -0.321 -8.096 -11.207 369 HG22 VAL 52 1HG2 VAL 52 -2.052 -8.225 -10.900 370 HG23 VAL 52 2HG2 VAL 52 -1.221 -6.693 -10.633 371 H GLU 53 H GLU 53 -2.892 -4.914 -12.912 372 HA GLU 53 HA GLU 53 -2.324 -2.310 -12.249 373 HB2 GLU 53 1HB GLU 53 -4.586 -2.253 -11.164 374 HB3 GLU 53 2HB GLU 53 -4.576 -2.929 -12.786 375 HG2 GLU 53 1HG GLU 53 -4.718 -5.170 -11.902 376 HG3 GLU 53 2HG GLU 53 -4.587 -4.559 -10.254 377 H VAL 54 H VAL 54 -2.444 -5.104 -10.106 378 HA VAL 54 HA VAL 54 -1.644 -3.394 -7.846 379 HB VAL 54 HB VAL 54 -2.293 -5.304 -6.394 380 HG11 VAL 54 1HG1 VAL 54 -3.846 -3.373 -7.323 381 HG12 VAL 54 2HG1 VAL 54 -4.470 -4.648 -6.277 382 HG13 VAL 54 3HG1 VAL 54 -4.710 -4.742 -8.022 383 HG21 VAL 54 3HG2 VAL 54 -2.025 -7.135 -7.952 384 HG22 VAL 54 1HG2 VAL 54 -3.313 -6.493 -8.973 385 HG23 VAL 54 2HG2 VAL 54 -3.687 -7.101 -7.361 386 H ASP 55 H ASP 55 -0.108 -4.391 -6.288 387 HA ASP 55 HA ASP 55 1.695 -6.397 -7.385 388 HB2 ASP 55 1HB ASP 55 2.329 -3.527 -7.208 389 HB3 ASP 55 2HB ASP 55 3.534 -4.580 -6.473 390 H ARG 56 H ARG 56 3.035 -7.389 -5.817 391 HA ARG 56 HA ARG 56 2.023 -7.079 -3.088 392 HB2 ARG 56 1HB ARG 56 2.194 -9.338 -4.326 393 HB3 ARG 56 2HB ARG 56 3.920 -9.230 -4.003 394 HG2 ARG 56 1HG ARG 56 3.668 -9.555 -1.758 395 HG3 ARG 56 2HG ARG 56 2.044 -8.862 -1.727 396 HD2 ARG 56 1HD ARG 56 2.685 -11.492 -3.049 397 HD3 ARG 56 2HD ARG 56 2.206 -11.360 -1.358 398 HE ARG 56 HE ARG 56 0.377 -10.076 -3.163 399 HH11 ARG 56 1HH1 ARG 56 1.235 -13.130 -1.679 400 HH12 ARG 56 2HH1 ARG 56 -0.353 -13.798 -1.853 401 HH21 ARG 56 1HH2 ARG 56 -1.710 -10.964 -3.391 402 HH22 ARG 56 2HH2 ARG 56 -2.024 -12.570 -2.825 403 H VAL 57 H VAL 57 3.152 -6.109 -1.548 404 HA VAL 57 HA VAL 57 6.071 -5.882 -1.824 405 HB VAL 57 HB VAL 57 5.919 -3.539 -0.933 406 HG11 VAL 57 1HG1 VAL 57 6.403 -3.229 -3.092 407 HG12 VAL 57 2HG1 VAL 57 4.699 -2.824 -3.290 408 HG13 VAL 57 3HG1 VAL 57 5.260 -4.464 -3.617 409 HG21 VAL 57 3HG2 VAL 57 3.544 -2.546 -1.672 410 HG22 VAL 57 1HG2 VAL 57 3.892 -3.092 -0.032 411 HG23 VAL 57 2HG2 VAL 57 3.035 -4.151 -1.151 412 H LYS 58 H LYS 58 7.103 -5.120 0.266 413 HA LYS 58 HA LYS 58 5.785 -6.474 2.525 414 HB2 LYS 58 1HB LYS 58 8.644 -5.655 2.690 415 HB3 LYS 58 2HB LYS 58 7.845 -7.080 3.337 416 HG2 LYS 58 1HG LYS 58 7.677 -7.427 0.600 417 HG3 LYS 58 2HG LYS 58 9.275 -6.716 0.842 418 HD2 LYS 58 1HD LYS 58 10.052 -8.522 1.989 419 HD3 LYS 58 2HD LYS 58 8.476 -8.893 2.688 420 HE2 LYS 58 1HE LYS 58 7.980 -9.393 0.083 421 HE3 LYS 58 2HE LYS 58 9.695 -9.795 0.158 422 HZ1 LYS 58 3HZ LYS 58 8.783 -11.048 2.332 423 HZ2 LYS 58 1HZ LYS 58 8.899 -11.780 0.810 424 HZ3 LYS 58 2HZ LYS 58 7.420 -11.156 1.338 425 H VAL 59 H VAL 59 5.372 -5.424 4.431 426 HA VAL 59 HA VAL 59 5.963 -2.535 4.467 427 HB VAL 59 HB VAL 59 4.013 -2.450 6.144 428 HG11 VAL 59 1HG1 VAL 59 2.406 -2.136 4.372 429 HG12 VAL 59 2HG1 VAL 59 3.398 -3.082 3.262 430 HG13 VAL 59 3HG1 VAL 59 3.981 -1.529 3.858 431 HG21 VAL 59 3HG2 VAL 59 3.169 -4.976 4.743 432 HG22 VAL 59 1HG2 VAL 59 2.382 -4.157 6.093 433 HG23 VAL 59 2HG2 VAL 59 3.924 -4.978 6.335 434 H LEU 60 H LEU 60 6.873 -1.602 6.233 435 HA LEU 60 HA LEU 60 7.789 -3.441 8.344 436 HB2 LEU 60 1HB LEU 60 9.416 -2.109 6.808 437 HB3 LEU 60 2HB LEU 60 8.993 -0.745 7.826 438 HG LEU 60 HG LEU 60 9.701 -2.224 9.802 439 HD11 LEU 60 1HD1 LEU 60 9.795 -4.363 8.777 440 HD12 LEU 60 2HD1 LEU 60 11.454 -3.899 9.154 441 HD13 LEU 60 3HD1 LEU 60 10.861 -3.775 7.499 442 HD21 LEU 60 3HD2 LEU 60 11.702 -1.219 7.783 443 HD22 LEU 60 1HD2 LEU 60 12.091 -1.660 9.446 444 HD23 LEU 60 2HD2 LEU 60 10.995 -0.316 9.124 445 H ARG 61 H ARG 61 6.838 -3.255 10.252 446 HA ARG 61 HA ARG 61 5.095 -1.073 10.877 447 HB2 ARG 61 1HB ARG 61 5.332 -3.688 11.731 448 HB3 ARG 61 2HB ARG 61 5.878 -2.774 13.129 449 HG2 ARG 61 1HG ARG 61 3.829 -1.855 13.506 450 HG3 ARG 61 2HG ARG 61 3.367 -1.912 11.804 451 HD2 ARG 61 1HD ARG 61 3.280 -4.433 12.056 452 HD3 ARG 61 2HD ARG 61 3.415 -4.169 13.794 453 HE ARG 61 HE ARG 61 1.285 -2.671 12.579 454 HH11 ARG 61 1HH1 ARG 61 2.151 -5.779 13.943 455 HH12 ARG 61 2HH1 ARG 61 0.521 -6.193 14.349 456 HH21 ARG 61 1HH2 ARG 61 -0.862 -3.226 13.115 457 HH22 ARG 61 2HH2 ARG 61 -1.191 -4.746 13.877 458 H LEU 62 H LEU 62 8.325 -2.069 11.943 459 HA LEU 62 HA LEU 62 8.520 0.362 13.577 460 HB2 LEU 62 1HB LEU 62 9.815 -2.302 13.650 461 HB3 LEU 62 2HB LEU 62 10.819 -0.938 14.104 462 HG LEU 62 HG LEU 62 8.447 -0.555 15.524 463 HD11 LEU 62 1HD1 LEU 62 8.229 -3.108 14.791 464 HD12 LEU 62 2HD1 LEU 62 7.687 -2.517 16.360 465 HD13 LEU 62 3HD1 LEU 62 9.251 -3.319 16.213 466 HD21 LEU 62 3HD2 LEU 62 10.058 -1.557 17.397 467 HD22 LEU 62 1HD2 LEU 62 10.307 0.037 16.683 468 HD23 LEU 62 2HD2 LEU 62 11.244 -1.343 16.109 469 H ILE 63 H ILE 63 8.829 1.856 11.902 470 HA ILE 63 HA ILE 63 11.003 1.525 10.024 471 HB ILE 63 HB ILE 63 10.406 3.761 9.206 472 HG12 ILE 63 1HG1 ILE 63 8.052 4.501 10.340 473 HG13 ILE 63 2HG1 ILE 63 8.880 3.834 11.742 474 HG21 ILE 63 1HG2 ILE 63 7.927 2.100 9.602 475 HG22 ILE 63 2HG2 ILE 63 9.205 1.710 8.451 476 HG23 ILE 63 3HG2 ILE 63 8.284 3.203 8.273 477 HD11 ILE 63 3HD1 ILE 63 9.219 6.368 10.482 478 HD12 ILE 63 1HD1 ILE 63 10.739 5.478 10.426 479 HD13 ILE 63 2HD1 ILE 63 9.937 5.759 11.973 480 H LYS 64 H LYS 64 12.771 3.058 9.807 481 HA LYS 64 HA LYS 64 13.487 4.470 12.280 482 HB2 LYS 64 1HB LYS 64 15.293 2.565 10.778 483 HB3 LYS 64 2HB LYS 64 15.812 3.614 12.089 484 HG2 LYS 64 1HG LYS 64 14.858 2.323 13.690 485 HG3 LYS 64 2HG LYS 64 13.537 1.806 12.642 486 HD2 LYS 64 1HD LYS 64 14.622 -0.143 12.492 487 HD3 LYS 64 2HD LYS 64 15.747 0.704 11.429 488 HE2 LYS 64 1HE LYS 64 16.632 1.348 13.969 489 HE3 LYS 64 2HE LYS 64 16.141 -0.338 14.116 490 HZ1 LYS 64 3HZ LYS 64 18.184 0.828 12.326 491 HZ2 LYS 64 1HZ LYS 64 17.514 -0.697 12.020 492 HZ3 LYS 64 2HZ LYS 64 18.361 -0.417 13.458 493 H GLY 65 H GLY 65 13.406 6.521 11.542 494 HA2 GLY 65 1HA GLY 65 14.428 8.390 10.579 495 HA3 GLY 65 2HA GLY 65 15.382 7.321 9.564 496 H GLY 66 H GLY 66 11.856 7.699 9.994 497 HA2 GLY 66 1HA GLY 66 10.645 9.006 8.264 498 HA3 GLY 66 2HA GLY 66 11.677 8.212 7.086 Start of MODEL 5 1 H1 MET 1 1H MET 1 -8.526 1.562 -4.898 2 H2 MET 1 2H MET 1 -6.887 1.369 -5.375 3 H3 MET 1 3H MET 1 -7.264 1.936 -3.800 4 HA MET 1 HA MET 1 -8.429 -0.188 -3.419 5 HB2 MET 1 1HB MET 1 -8.569 -0.673 -5.889 6 HB3 MET 1 2HB MET 1 -6.846 -1.013 -5.859 7 HG2 MET 1 1HG MET 1 -7.335 -3.115 -5.380 8 HG3 MET 1 2HG MET 1 -7.926 -2.569 -3.813 9 HE1 MET 1 3HE MET 1 -9.015 -2.253 -7.487 10 HE2 MET 1 1HE MET 1 -10.543 -3.132 -7.558 11 HE3 MET 1 2HE MET 1 -9.025 -4.012 -7.370 12 H ASN 2 H ASN 2 -7.372 -1.164 -1.804 13 HA ASN 2 HA ASN 2 -4.546 -0.603 -1.466 14 HB2 ASN 2 1HB ASN 2 -6.683 -1.734 0.330 15 HB3 ASN 2 2HB ASN 2 -4.982 -1.832 0.773 16 HD21 ASN 2 2HD2 ASN 2 -4.674 -0.383 2.323 17 HD22 ASN 2 1HD2 ASN 2 -5.170 1.270 2.269 18 H VAL 3 H VAL 3 -2.921 -2.091 -1.300 19 HA VAL 3 HA VAL 3 -3.509 -4.747 -2.403 20 HB VAL 3 HB VAL 3 -1.867 -3.407 -3.657 21 HG11 VAL 3 1HG1 VAL 3 -0.773 -2.927 -1.033 22 HG12 VAL 3 2HG1 VAL 3 -0.437 -2.110 -2.558 23 HG13 VAL 3 3HG1 VAL 3 0.456 -3.566 -2.122 24 HG21 VAL 3 3HG2 VAL 3 -1.554 -6.064 -2.732 25 HG22 VAL 3 1HG2 VAL 3 0.049 -5.336 -2.824 26 HG23 VAL 3 2HG2 VAL 3 -0.995 -5.356 -4.246 27 H THR 4 H THR 4 -2.934 -6.608 -1.358 28 HA THR 4 HA THR 4 -2.620 -6.442 1.481 29 HB THR 4 HB THR 4 -2.438 -8.918 -0.247 30 HG1 THR 4 HG1 THR 4 -4.398 -8.207 -0.747 31 HG21 THR 4 3HG2 THR 4 -2.834 -8.451 2.659 32 HG22 THR 4 1HG2 THR 4 -1.907 -9.698 1.826 33 HG23 THR 4 2HG2 THR 4 -3.667 -9.801 1.889 34 H VAL 5 H VAL 5 -0.774 -6.086 2.465 35 HA VAL 5 HA VAL 5 1.708 -7.119 1.256 36 HB VAL 5 HB VAL 5 2.888 -5.294 2.459 37 HG11 VAL 5 1HG1 VAL 5 0.773 -4.022 0.773 38 HG12 VAL 5 2HG1 VAL 5 1.901 -5.178 0.063 39 HG13 VAL 5 3HG1 VAL 5 2.506 -3.704 0.822 40 HG21 VAL 5 3HG2 VAL 5 1.721 -3.492 3.485 41 HG22 VAL 5 1HG2 VAL 5 1.095 -4.979 4.196 42 HG23 VAL 5 2HG2 VAL 5 0.160 -4.125 2.969 43 H GLU 6 H GLU 6 3.065 -8.329 2.476 44 HA GLU 6 HA GLU 6 2.028 -9.357 4.965 45 HB2 GLU 6 1HB GLU 6 3.437 -10.516 2.989 46 HB3 GLU 6 2HB GLU 6 4.758 -10.101 4.070 47 HG2 GLU 6 1HG GLU 6 3.239 -11.230 5.873 48 HG3 GLU 6 2HG GLU 6 2.500 -12.001 4.471 49 H VAL 7 H VAL 7 2.347 -8.369 6.810 50 HA VAL 7 HA VAL 7 4.562 -6.519 7.167 51 HB VAL 7 HB VAL 7 2.391 -7.224 9.154 52 HG11 VAL 7 1HG1 VAL 7 3.098 -5.470 10.435 53 HG12 VAL 7 2HG1 VAL 7 3.774 -4.591 9.065 54 HG13 VAL 7 3HG1 VAL 7 4.640 -5.969 9.742 55 HG21 VAL 7 3HG2 VAL 7 1.884 -6.129 6.732 56 HG22 VAL 7 1HG2 VAL 7 2.212 -4.681 7.683 57 HG23 VAL 7 2HG2 VAL 7 0.943 -5.796 8.186 58 H VAL 8 H VAL 8 6.323 -6.876 8.388 59 HA VAL 8 HA VAL 8 7.124 -9.463 9.070 60 HB VAL 8 HB VAL 8 8.184 -6.935 10.349 61 HG11 VAL 8 1HG1 VAL 8 9.075 -9.752 10.226 62 HG12 VAL 8 2HG1 VAL 8 9.304 -8.543 11.486 63 HG13 VAL 8 3HG1 VAL 8 10.322 -8.517 10.047 64 HG21 VAL 8 3HG2 VAL 8 9.938 -7.323 8.407 65 HG22 VAL 8 1HG2 VAL 8 8.477 -6.369 8.153 66 HG23 VAL 8 2HG2 VAL 8 8.539 -8.044 7.612 67 H GLY 9 H GLY 9 6.494 -10.768 10.646 68 HA2 GLY 9 1HA GLY 9 6.377 -11.115 13.076 69 HA3 GLY 9 2HA GLY 9 5.520 -9.576 13.174 70 H GLU 10 H GLU 10 3.397 -9.736 13.423 71 HA GLU 10 HA GLU 10 2.024 -12.106 12.333 72 HB2 GLU 10 1HB GLU 10 1.904 -10.838 15.010 73 HB3 GLU 10 2HB GLU 10 0.366 -11.358 14.330 74 HG2 GLU 10 1HG GLU 10 1.840 -13.555 13.863 75 HG3 GLU 10 2HG GLU 10 2.652 -12.945 15.302 76 H GLU 11 H GLU 11 -0.255 -11.798 11.815 77 HA GLU 11 HA GLU 11 -2.006 -10.757 10.822 78 HB2 GLU 11 1HB GLU 11 -0.908 -8.156 11.892 79 HB3 GLU 11 2HB GLU 11 -2.556 -8.483 11.373 80 HG2 GLU 11 1HG GLU 11 -2.995 -9.822 13.256 81 HG3 GLU 11 2HG GLU 11 -1.285 -9.933 13.674 82 H THR 12 H THR 12 -2.588 -9.274 9.046 83 HA THR 12 HA THR 12 -0.270 -8.534 7.385 84 HB THR 12 HB THR 12 -2.839 -9.668 6.275 85 HG1 THR 12 HG1 THR 12 -0.434 -11.007 6.953 86 HG21 THR 12 3HG2 THR 12 -0.101 -9.353 5.072 87 HG22 THR 12 1HG2 THR 12 -1.544 -8.428 4.657 88 HG23 THR 12 2HG2 THR 12 -1.472 -10.154 4.306 89 H SER 13 H SER 13 -0.346 -6.580 6.425 90 HA SER 13 HA SER 13 -2.786 -4.979 6.823 91 HB2 SER 13 1HB SER 13 0.126 -4.173 6.787 92 HB3 SER 13 2HB SER 13 -1.186 -3.001 6.668 93 HG SER 13 HG SER 13 -0.882 -4.870 8.786 94 H GLU 14 H GLU 14 -3.131 -3.220 5.211 95 HA GLU 14 HA GLU 14 -2.231 -4.030 2.526 96 HB2 GLU 14 1HB GLU 14 -4.977 -2.989 3.243 97 HB3 GLU 14 2HB GLU 14 -4.427 -3.451 1.638 98 HG2 GLU 14 1HG GLU 14 -4.397 -5.718 2.164 99 HG3 GLU 14 2HG GLU 14 -4.398 -5.412 3.897 100 H VAL 15 H VAL 15 -1.587 -2.453 1.154 101 HA VAL 15 HA VAL 15 -1.820 0.336 2.082 102 HB VAL 15 HB VAL 15 0.458 -0.470 2.465 103 HG11 VAL 15 1HG1 VAL 15 0.297 -2.129 0.497 104 HG12 VAL 15 2HG1 VAL 15 1.853 -1.377 0.846 105 HG13 VAL 15 3HG1 VAL 15 0.863 -0.778 -0.484 106 HG21 VAL 15 3HG2 VAL 15 0.342 1.838 2.008 107 HG22 VAL 15 1HG2 VAL 15 0.111 1.566 0.281 108 HG23 VAL 15 2HG2 VAL 15 1.671 1.225 1.027 109 H ALA 16 H ALA 16 -2.153 1.907 0.523 110 HA ALA 16 HA ALA 16 -3.222 0.952 -1.998 111 HB1 ALA 16 3HB ALA 16 -3.448 3.662 -2.120 112 HB2 ALA 16 1HB ALA 16 -3.493 3.376 -0.382 113 HB3 ALA 16 2HB ALA 16 -4.660 2.577 -1.437 114 H VAL 17 H VAL 17 -2.266 1.105 -3.927 115 HA VAL 17 HA VAL 17 0.282 2.581 -4.091 116 HB VAL 17 HB VAL 17 0.867 0.966 -5.940 117 HG11 VAL 17 1HG1 VAL 17 0.526 -0.433 -3.312 118 HG12 VAL 17 2HG1 VAL 17 1.624 0.935 -3.492 119 HG13 VAL 17 3HG1 VAL 17 1.868 -0.524 -4.452 120 HG21 VAL 17 3HG2 VAL 17 -1.383 0.096 -6.366 121 HG22 VAL 17 1HG2 VAL 17 -1.411 -0.624 -4.756 122 HG23 VAL 17 2HG2 VAL 17 -0.259 -1.199 -5.959 123 H ASP 18 H ASP 18 0.549 4.049 -5.650 124 HA ASP 18 HA ASP 18 -1.619 5.068 -7.104 125 HB2 ASP 18 1HB ASP 18 1.357 5.461 -7.353 126 HB3 ASP 18 2HB ASP 18 0.217 6.298 -8.405 127 H ASP 19 H ASP 19 0.711 2.610 -7.898 128 HA ASP 19 HA ASP 19 0.607 2.552 -10.667 129 HB2 ASP 19 1HB ASP 19 0.886 0.303 -8.666 130 HB3 ASP 19 2HB ASP 19 1.090 0.081 -10.401 131 H ASP 20 H ASP 20 -1.716 1.346 -8.316 132 HA ASP 20 HA ASP 20 -3.278 -0.262 -9.997 133 HB2 ASP 20 1HB ASP 20 -3.350 0.080 -7.406 134 HB3 ASP 20 2HB ASP 20 -4.499 1.358 -7.782 135 H GLY 21 H GLY 21 -3.807 3.145 -9.023 136 HA2 GLY 21 1HA GLY 21 -4.520 4.872 -10.461 137 HA3 GLY 21 2HA GLY 21 -5.001 3.660 -11.647 138 H THR 22 H THR 22 -5.979 3.375 -8.294 139 HA THR 22 HA THR 22 -8.760 3.704 -9.136 140 HB THR 22 HB THR 22 -8.130 2.841 -6.370 141 HG1 THR 22 HG1 THR 22 -7.803 0.642 -7.388 142 HG21 THR 22 3HG2 THR 22 -10.158 1.982 -6.477 143 HG22 THR 22 1HG2 THR 22 -9.730 1.028 -7.895 144 HG23 THR 22 2HG2 THR 22 -10.326 2.674 -8.090 145 H TYR 23 H TYR 23 -10.258 4.655 -7.386 146 HA TYR 23 HA TYR 23 -9.600 7.367 -7.012 147 HB2 TYR 23 1HB TYR 23 -11.850 5.597 -6.201 148 HB3 TYR 23 2HB TYR 23 -11.659 7.104 -5.310 149 HD1 TYR 23 HD1 TYR 23 -11.306 6.178 -8.928 150 HD2 TYR 23 HD2 TYR 23 -13.174 8.676 -6.034 151 HE1 TYR 23 HE1 TYR 23 -12.466 7.388 -10.729 152 HE2 TYR 23 HE2 TYR 23 -14.337 9.891 -7.824 153 HH TYR 23 HH TYR 23 -15.074 9.364 -10.235 154 H ALA 24 H ALA 24 -9.480 4.601 -4.810 155 HA ALA 24 HA ALA 24 -9.035 5.961 -2.414 156 HB1 ALA 24 3HB ALA 24 -8.915 3.260 -3.325 157 HB2 ALA 24 1HB ALA 24 -9.114 3.870 -1.683 158 HB3 ALA 24 2HB ALA 24 -7.497 3.595 -2.330 159 H ASP 25 H ASP 25 -6.755 5.026 -4.961 160 HA ASP 25 HA ASP 25 -4.383 5.695 -3.576 161 HB2 ASP 25 1HB ASP 25 -4.814 5.781 -6.570 162 HB3 ASP 25 2HB ASP 25 -3.280 5.603 -5.724 163 H LEU 26 H LEU 26 -6.586 7.590 -5.598 164 HA LEU 26 HA LEU 26 -5.038 9.900 -5.888 165 HB2 LEU 26 1HB LEU 26 -7.270 9.326 -6.987 166 HB3 LEU 26 2HB LEU 26 -8.029 9.899 -5.515 167 HG LEU 26 HG LEU 26 -6.460 12.026 -6.094 168 HD11 LEU 26 1HD1 LEU 26 -6.041 12.354 -8.284 169 HD12 LEU 26 2HD1 LEU 26 -7.476 11.476 -8.807 170 HD13 LEU 26 3HD1 LEU 26 -6.030 10.592 -8.318 171 HD21 LEU 26 3HD2 LEU 26 -9.235 11.460 -7.128 172 HD22 LEU 26 1HD2 LEU 26 -8.491 13.057 -7.045 173 HD23 LEU 26 2HD2 LEU 26 -8.808 12.154 -5.563 174 H VAL 27 H VAL 27 -7.223 8.901 -3.283 175 HA VAL 27 HA VAL 27 -7.065 11.285 -1.765 176 HB VAL 27 HB VAL 27 -7.574 8.503 -0.693 177 HG11 VAL 27 1HG1 VAL 27 -7.212 10.777 0.722 178 HG12 VAL 27 2HG1 VAL 27 -8.235 9.439 1.244 179 HG13 VAL 27 3HG1 VAL 27 -8.953 10.840 0.448 180 HG21 VAL 27 3HG2 VAL 27 -9.914 10.167 -1.204 181 HG22 VAL 27 1HG2 VAL 27 -9.624 8.471 -1.586 182 HG23 VAL 27 2HG2 VAL 27 -9.039 9.730 -2.672 183 H ARG 28 H ARG 28 -5.331 8.184 -1.481 184 HA ARG 28 HA ARG 28 -3.717 8.879 0.708 185 HB2 ARG 28 1HB ARG 28 -2.862 7.015 -1.503 186 HB3 ARG 28 2HB ARG 28 -2.393 6.971 0.189 187 HG2 ARG 28 1HG ARG 28 -5.253 6.748 -0.079 188 HG3 ARG 28 2HG ARG 28 -4.428 5.525 -1.046 189 HD2 ARG 28 1HD ARG 28 -3.164 4.813 0.908 190 HD3 ARG 28 2HD ARG 28 -3.940 6.061 1.881 191 HE ARG 28 HE ARG 28 -5.067 3.539 1.056 192 HH11 ARG 28 1HH1 ARG 28 -5.782 6.780 2.190 193 HH12 ARG 28 2HH1 ARG 28 -7.338 6.347 2.815 194 HH21 ARG 28 1HH2 ARG 28 -7.115 2.979 1.867 195 HH22 ARG 28 2HH2 ARG 28 -8.097 4.184 2.632 196 H ALA 29 H ALA 29 -3.315 9.427 -2.751 197 HA ALA 29 HA ALA 29 -0.628 10.214 -2.788 198 HB1 ALA 29 3HB ALA 29 -1.784 11.757 -4.745 199 HB2 ALA 29 1HB ALA 29 -2.918 10.415 -4.582 200 HB3 ALA 29 2HB ALA 29 -1.219 10.099 -4.939 201 H VAL 30 H VAL 30 -3.455 11.906 -1.653 202 HA VAL 30 HA VAL 30 -2.092 14.483 -1.608 203 HB VAL 30 HB VAL 30 -4.826 13.884 -0.480 204 HG11 VAL 30 1HG1 VAL 30 -4.465 16.452 -1.736 205 HG12 VAL 30 2HG1 VAL 30 -3.242 16.184 -0.497 206 HG13 VAL 30 3HG1 VAL 30 -4.953 16.068 -0.085 207 HG21 VAL 30 3HG2 VAL 30 -5.401 14.982 -2.864 208 HG22 VAL 30 1HG2 VAL 30 -5.336 13.242 -2.588 209 HG23 VAL 30 2HG2 VAL 30 -3.953 14.075 -3.295 210 H ASP 31 H ASP 31 -1.262 12.111 0.092 211 HA ASP 31 HA ASP 31 -0.403 11.743 2.149 212 HB2 ASP 31 1HB ASP 31 -0.670 14.703 2.091 213 HB3 ASP 31 2HB ASP 31 -0.430 13.961 3.668 214 H LEU 32 H LEU 32 -2.967 10.940 1.815 215 HA LEU 32 HA LEU 32 -4.182 11.498 4.442 216 HB2 LEU 32 1HB LEU 32 -5.392 11.424 1.736 217 HB3 LEU 32 2HB LEU 32 -6.320 10.692 3.029 218 HG LEU 32 HG LEU 32 -5.863 12.972 4.252 219 HD11 LEU 32 1HD1 LEU 32 -5.092 14.691 3.058 220 HD12 LEU 32 2HD1 LEU 32 -6.105 14.292 1.671 221 HD13 LEU 32 3HD1 LEU 32 -4.549 13.491 1.887 222 HD21 LEU 32 3HD2 LEU 32 -7.838 12.809 1.982 223 HD22 LEU 32 1HD2 LEU 32 -7.971 13.782 3.448 224 HD23 LEU 32 2HD2 LEU 32 -8.048 12.022 3.546 225 H SER 33 H SER 33 -2.267 9.429 3.817 226 HA SER 33 HA SER 33 -3.839 6.980 3.700 227 HB2 SER 33 1HB SER 33 -1.603 5.847 3.717 228 HB3 SER 33 2HB SER 33 -1.808 6.979 2.381 229 HG SER 33 HG SER 33 0.223 7.017 3.755 230 HA PRO 34 HA PRO 34 -3.925 6.917 8.181 231 HB2 PRO 34 1HB PRO 34 -5.360 4.636 8.442 232 HB3 PRO 34 2HB PRO 34 -6.095 6.173 7.972 233 HG2 PRO 34 1HG PRO 34 -5.287 3.855 6.258 234 HG3 PRO 34 2HG PRO 34 -6.748 4.857 6.173 235 HD2 PRO 34 1HD PRO 34 -4.611 5.195 4.523 236 HD3 PRO 34 2HD PRO 34 -5.691 6.521 4.998 237 H HIS 35 H HIS 35 -2.931 4.195 6.160 238 HA HIS 35 HA HIS 35 -1.657 2.786 8.324 239 HB2 HIS 35 1HB HIS 35 -0.734 1.353 6.421 240 HB3 HIS 35 2HB HIS 35 -2.482 1.379 6.610 241 HD1 HIS 35 HD1 HIS 35 -3.840 2.147 4.632 242 HD2 HIS 35 HD2 HIS 35 0.223 2.877 4.168 243 HE1 HIS 35 HE1 HIS 35 -3.562 2.918 2.255 244 HE2 HIS 35 HE2 HIS 35 -1.117 3.479 2.040 245 H GLU 36 H GLU 36 -0.580 4.815 5.620 246 HA GLU 36 HA GLU 36 1.470 5.635 5.035 247 HB2 GLU 36 1HB GLU 36 0.627 6.764 7.325 248 HB3 GLU 36 2HB GLU 36 2.152 6.091 7.886 249 HG2 GLU 36 1HG GLU 36 2.650 7.359 5.413 250 HG3 GLU 36 2HG GLU 36 1.683 8.462 6.391 251 H VAL 37 H VAL 37 2.154 3.420 4.450 252 HA VAL 37 HA VAL 37 4.503 2.632 6.040 253 HB VAL 37 HB VAL 37 4.008 0.240 5.427 254 HG11 VAL 37 1HG1 VAL 37 1.755 1.243 7.105 255 HG12 VAL 37 2HG1 VAL 37 3.413 1.513 7.637 256 HG13 VAL 37 3HG1 VAL 37 2.830 -0.129 7.365 257 HG21 VAL 37 3HG2 VAL 37 1.605 -0.279 4.951 258 HG22 VAL 37 1HG2 VAL 37 2.455 0.521 3.629 259 HG23 VAL 37 2HG2 VAL 37 1.353 1.439 4.654 260 H THR 38 H THR 38 6.238 1.761 4.884 261 HA THR 38 HA THR 38 6.357 2.596 2.108 262 HB THR 38 HB THR 38 8.257 3.151 3.489 263 HG1 THR 38 HG1 THR 38 9.140 2.785 1.598 264 HG21 THR 38 3HG2 THR 38 9.780 1.267 4.265 265 HG22 THR 38 1HG2 THR 38 8.366 0.225 4.120 266 HG23 THR 38 2HG2 THR 38 8.339 1.597 5.227 267 H VAL 39 H VAL 39 6.492 1.293 0.346 268 HA VAL 39 HA VAL 39 5.905 -1.537 0.784 269 HB VAL 39 HB VAL 39 5.234 -1.629 -1.553 270 HG11 VAL 39 1HG1 VAL 39 3.221 -0.540 -1.316 271 HG12 VAL 39 2HG1 VAL 39 3.950 0.875 -0.559 272 HG13 VAL 39 3HG1 VAL 39 3.772 -0.621 0.357 273 HG21 VAL 39 3HG2 VAL 39 6.688 -0.190 -2.697 274 HG22 VAL 39 1HG2 VAL 39 6.299 1.178 -1.653 275 HG23 VAL 39 2HG2 VAL 39 5.112 0.592 -2.817 276 H LEU 40 H LEU 40 7.353 -3.100 0.452 277 HA LEU 40 HA LEU 40 9.858 -2.399 -0.924 278 HB2 LEU 40 1HB LEU 40 9.220 -4.125 1.405 279 HB3 LEU 40 2HB LEU 40 10.500 -4.675 0.334 280 HG LEU 40 HG LEU 40 11.284 -2.120 0.705 281 HD11 LEU 40 1HD1 LEU 40 10.504 -2.736 3.486 282 HD12 LEU 40 2HD1 LEU 40 9.225 -2.147 2.424 283 HD13 LEU 40 3HD1 LEU 40 10.680 -1.183 2.668 284 HD21 LEU 40 3HD2 LEU 40 11.862 -4.517 2.438 285 HD22 LEU 40 1HD2 LEU 40 12.814 -3.033 2.445 286 HD23 LEU 40 2HD2 LEU 40 12.723 -4.013 0.983 287 H VAL 41 H VAL 41 10.645 -3.688 -2.546 288 HA VAL 41 HA VAL 41 8.771 -5.669 -3.629 289 HB VAL 41 HB VAL 41 11.128 -4.368 -5.019 290 HG11 VAL 41 1HG1 VAL 41 9.274 -5.188 -6.905 291 HG12 VAL 41 2HG1 VAL 41 9.310 -6.509 -5.736 292 HG13 VAL 41 3HG1 VAL 41 10.800 -5.981 -6.517 293 HG21 VAL 41 3HG2 VAL 41 8.896 -3.030 -4.264 294 HG22 VAL 41 1HG2 VAL 41 8.401 -3.636 -5.844 295 HG23 VAL 41 2HG2 VAL 41 9.850 -2.643 -5.695 296 H ASP 42 H ASP 42 9.237 -7.722 -3.218 297 HA ASP 42 HA ASP 42 11.620 -8.576 -2.008 298 HB2 ASP 42 1HB ASP 42 9.632 -9.842 -1.644 299 HB3 ASP 42 2HB ASP 42 9.376 -10.065 -3.368 300 H GLY 43 H GLY 43 13.516 -8.862 -2.840 301 HA2 GLY 43 1HA GLY 43 15.082 -8.625 -4.601 302 HA3 GLY 43 2HA GLY 43 14.692 -10.331 -4.564 303 H ARG 44 H ARG 44 13.131 -7.409 -5.918 304 HA ARG 44 HA ARG 44 13.179 -8.724 -8.550 305 HB2 ARG 44 1HB ARG 44 10.861 -7.882 -6.977 306 HB3 ARG 44 2HB ARG 44 10.861 -7.241 -8.616 307 HG2 ARG 44 1HG ARG 44 10.453 -9.241 -9.536 308 HG3 ARG 44 2HG ARG 44 11.518 -10.091 -8.414 309 HD2 ARG 44 1HD ARG 44 9.594 -9.463 -6.702 310 HD3 ARG 44 2HD ARG 44 8.629 -9.443 -8.178 311 HE ARG 44 HE ARG 44 9.700 -11.740 -6.843 312 HH11 ARG 44 1HH1 ARG 44 8.709 -10.495 -9.966 313 HH12 ARG 44 2HH1 ARG 44 8.376 -12.061 -10.624 314 HH21 ARG 44 1HH2 ARG 44 9.260 -13.805 -7.718 315 HH22 ARG 44 2HH2 ARG 44 8.689 -13.941 -9.348 316 HA PRO 45 HA PRO 45 14.793 -4.660 -9.558 317 HB2 PRO 45 1HB PRO 45 15.834 -5.296 -11.935 318 HB3 PRO 45 2HB PRO 45 16.553 -5.900 -10.438 319 HG2 PRO 45 1HG PRO 45 14.769 -7.301 -12.384 320 HG3 PRO 45 2HG PRO 45 16.190 -7.917 -11.523 321 HD2 PRO 45 1HD PRO 45 13.558 -8.347 -10.766 322 HD3 PRO 45 2HD PRO 45 14.963 -8.489 -9.691 323 H VAL 46 H VAL 46 12.072 -4.747 -9.746 324 HA VAL 46 HA VAL 46 10.284 -3.839 -10.808 325 HB VAL 46 HB VAL 46 12.245 -2.682 -12.788 326 HG11 VAL 46 1HG1 VAL 46 10.334 -0.827 -12.520 327 HG12 VAL 46 2HG1 VAL 46 9.379 -2.272 -12.185 328 HG13 VAL 46 3HG1 VAL 46 10.253 -2.127 -13.709 329 HG21 VAL 46 3HG2 VAL 46 11.837 -0.640 -11.125 330 HG22 VAL 46 1HG2 VAL 46 13.154 -1.793 -10.905 331 HG23 VAL 46 2HG2 VAL 46 11.668 -1.962 -9.970 332 HA PRO 47 HA PRO 47 10.043 -7.472 -13.631 333 HB2 PRO 47 1HB PRO 47 7.181 -6.894 -13.015 334 HB3 PRO 47 2HB PRO 47 8.041 -8.438 -13.031 335 HG2 PRO 47 1HG PRO 47 7.422 -7.264 -10.730 336 HG3 PRO 47 2HG PRO 47 8.980 -8.085 -10.937 337 HD2 PRO 47 1HD PRO 47 8.363 -5.163 -10.932 338 HD3 PRO 47 2HD PRO 47 9.777 -6.019 -10.288 339 H GLU 48 H GLU 48 10.675 -6.353 -15.488 340 HA GLU 48 HA GLU 48 9.145 -4.353 -16.768 341 HB2 GLU 48 1HB GLU 48 11.555 -4.716 -17.174 342 HB3 GLU 48 2HB GLU 48 11.183 -6.238 -17.970 343 HG2 GLU 48 1HG GLU 48 10.783 -5.221 -19.892 344 HG3 GLU 48 2HG GLU 48 9.667 -4.088 -19.135 345 H ASP 49 H ASP 49 9.036 -7.854 -16.875 346 HA ASP 49 HA ASP 49 7.257 -7.875 -19.175 347 HB2 ASP 49 1HB ASP 49 9.109 -9.677 -18.184 348 HB3 ASP 49 2HB ASP 49 7.567 -10.408 -17.747 349 H GLN 50 H GLN 50 6.545 -6.771 -16.373 350 HA GLN 50 HA GLN 50 4.094 -8.357 -15.996 351 HB2 GLN 50 1HB GLN 50 5.857 -8.150 -14.097 352 HB3 GLN 50 2HB GLN 50 5.222 -6.520 -13.902 353 HG2 GLN 50 1HG GLN 50 3.334 -7.231 -12.937 354 HG3 GLN 50 2HG GLN 50 3.180 -8.619 -14.012 355 HE21 GLN 50 2HE2 GLN 50 2.566 -8.885 -11.382 356 HE22 GLN 50 1HE2 GLN 50 3.754 -9.854 -10.587 357 H SER 51 H SER 51 2.644 -7.312 -17.268 358 HA SER 51 HA SER 51 2.437 -4.394 -17.086 359 HB2 SER 51 1HB SER 51 0.711 -6.036 -18.911 360 HB3 SER 51 2HB SER 51 1.359 -4.413 -19.145 361 HG SER 51 HG SER 51 3.447 -5.419 -19.368 362 H VAL 52 H VAL 52 1.631 -5.994 -14.837 363 HA VAL 52 HA VAL 52 -1.241 -6.169 -14.829 364 HB VAL 52 HB VAL 52 -1.009 -6.781 -12.464 365 HG11 VAL 52 1HG1 VAL 52 -0.824 -8.727 -13.596 366 HG12 VAL 52 2HG1 VAL 52 0.821 -8.680 -12.963 367 HG13 VAL 52 3HG1 VAL 52 0.495 -8.141 -14.610 368 HG21 VAL 52 3HG2 VAL 52 1.431 -7.096 -11.660 369 HG22 VAL 52 1HG2 VAL 52 0.717 -5.485 -11.597 370 HG23 VAL 52 2HG2 VAL 52 1.824 -5.908 -12.900 371 H GLU 53 H GLU 53 -2.286 -5.189 -12.704 372 HA GLU 53 HA GLU 53 -1.783 -2.304 -12.835 373 HB2 GLU 53 1HB GLU 53 -4.053 -2.086 -11.815 374 HB3 GLU 53 2HB GLU 53 -4.048 -2.876 -13.383 375 HG2 GLU 53 1HG GLU 53 -4.847 -4.801 -12.565 376 HG3 GLU 53 2HG GLU 53 -3.860 -4.715 -11.110 377 H VAL 54 H VAL 54 -1.871 -5.013 -10.605 378 HA VAL 54 HA VAL 54 -0.842 -3.240 -8.489 379 HB VAL 54 HB VAL 54 -1.989 -4.583 -6.795 380 HG11 VAL 54 1HG1 VAL 54 -4.201 -3.850 -8.618 381 HG12 VAL 54 2HG1 VAL 54 -3.042 -2.592 -8.196 382 HG13 VAL 54 3HG1 VAL 54 -3.936 -3.429 -6.928 383 HG21 VAL 54 3HG2 VAL 54 -2.162 -6.709 -7.914 384 HG22 VAL 54 1HG2 VAL 54 -3.210 -6.017 -9.152 385 HG23 VAL 54 2HG2 VAL 54 -3.783 -6.155 -7.490 386 H ASP 55 H ASP 55 0.424 -4.357 -6.831 387 HA ASP 55 HA ASP 55 1.569 -6.924 -7.628 388 HB2 ASP 55 1HB ASP 55 3.162 -4.388 -7.210 389 HB3 ASP 55 2HB ASP 55 3.882 -5.995 -7.195 390 H ARG 56 H ARG 56 2.776 -7.967 -5.894 391 HA ARG 56 HA ARG 56 1.693 -7.238 -3.274 392 HB2 ARG 56 1HB ARG 56 1.449 -9.575 -4.098 393 HB3 ARG 56 2HB ARG 56 3.201 -9.733 -4.093 394 HG2 ARG 56 1HG ARG 56 3.269 -9.452 -1.699 395 HG3 ARG 56 2HG ARG 56 1.533 -9.138 -1.656 396 HD2 ARG 56 1HD ARG 56 2.245 -11.645 -2.978 397 HD3 ARG 56 2HD ARG 56 2.728 -11.578 -1.284 398 HE ARG 56 HE ARG 56 0.044 -11.701 -2.331 399 HH11 ARG 56 1HH1 ARG 56 2.008 -10.841 0.442 400 HH12 ARG 56 2HH1 ARG 56 0.709 -11.023 1.573 401 HH21 ARG 56 1HH2 ARG 56 -1.662 -11.933 -0.837 402 HH22 ARG 56 2HH2 ARG 56 -1.374 -11.644 0.847 403 H VAL 57 H VAL 57 2.876 -6.271 -1.778 404 HA VAL 57 HA VAL 57 5.811 -6.475 -1.870 405 HB VAL 57 HB VAL 57 5.912 -4.054 -1.182 406 HG11 VAL 57 1HG1 VAL 57 6.590 -4.412 -3.363 407 HG12 VAL 57 2HG1 VAL 57 5.291 -3.238 -3.567 408 HG13 VAL 57 3HG1 VAL 57 4.992 -4.946 -3.884 409 HG21 VAL 57 3HG2 VAL 57 2.998 -4.342 -1.523 410 HG22 VAL 57 1HG2 VAL 57 3.706 -2.891 -2.230 411 HG23 VAL 57 2HG2 VAL 57 3.920 -3.230 -0.513 412 H LYS 58 H LYS 58 6.814 -5.635 0.219 413 HA LYS 58 HA LYS 58 5.123 -6.437 2.501 414 HB2 LYS 58 1HB LYS 58 7.485 -6.745 3.607 415 HB3 LYS 58 2HB LYS 58 6.808 -8.002 2.583 416 HG2 LYS 58 1HG LYS 58 8.125 -6.951 0.679 417 HG3 LYS 58 2HG LYS 58 8.967 -6.025 1.922 418 HD2 LYS 58 1HD LYS 58 10.370 -7.816 1.798 419 HD3 LYS 58 2HD LYS 58 9.233 -8.444 2.993 420 HE2 LYS 58 1HE LYS 58 9.008 -8.930 0.024 421 HE3 LYS 58 2HE LYS 58 9.803 -10.036 1.143 422 HZ1 LYS 58 3HZ LYS 58 7.656 -10.865 0.935 423 HZ2 LYS 58 1HZ LYS 58 6.938 -9.334 0.972 424 HZ3 LYS 58 2HZ LYS 58 7.587 -9.999 2.386 425 H VAL 59 H VAL 59 4.977 -5.135 4.272 426 HA VAL 59 HA VAL 59 6.153 -2.458 3.984 427 HB VAL 59 HB VAL 59 4.410 -1.820 5.737 428 HG11 VAL 59 1HG1 VAL 59 4.070 -1.028 3.566 429 HG12 VAL 59 2HG1 VAL 59 2.559 -1.844 3.969 430 HG13 VAL 59 3HG1 VAL 59 3.740 -2.640 2.930 431 HG21 VAL 59 3HG2 VAL 59 2.475 -3.217 5.991 432 HG22 VAL 59 1HG2 VAL 59 3.902 -4.157 6.427 433 HG23 VAL 59 2HG2 VAL 59 3.128 -4.407 4.864 434 H LEU 60 H LEU 60 7.314 -1.501 5.589 435 HA LEU 60 HA LEU 60 8.178 -3.269 7.776 436 HB2 LEU 60 1HB LEU 60 9.747 -2.114 5.974 437 HB3 LEU 60 2HB LEU 60 9.639 -0.764 7.087 438 HG LEU 60 HG LEU 60 10.439 -2.326 8.904 439 HD11 LEU 60 1HD1 LEU 60 11.610 -4.354 8.190 440 HD12 LEU 60 2HD1 LEU 60 11.043 -4.099 6.539 441 HD13 LEU 60 3HD1 LEU 60 9.885 -4.437 7.827 442 HD21 LEU 60 3HD2 LEU 60 12.010 -1.340 6.597 443 HD22 LEU 60 1HD2 LEU 60 12.821 -2.444 7.707 444 HD23 LEU 60 2HD2 LEU 60 12.130 -0.938 8.308 445 H ARG 61 H ARG 61 7.942 -2.694 9.874 446 HA ARG 61 HA ARG 61 6.148 -0.553 10.505 447 HB2 ARG 61 1HB ARG 61 7.457 -2.765 11.982 448 HB3 ARG 61 2HB ARG 61 7.014 -1.354 12.933 449 HG2 ARG 61 1HG ARG 61 4.752 -1.636 12.540 450 HG3 ARG 61 2HG ARG 61 5.019 -2.623 11.104 451 HD2 ARG 61 1HD ARG 61 4.950 -4.484 12.314 452 HD3 ARG 61 2HD ARG 61 6.220 -3.885 13.381 453 HE ARG 61 HE ARG 61 3.388 -3.911 13.888 454 HH11 ARG 61 1HH1 ARG 61 6.423 -2.370 14.720 455 HH12 ARG 61 2HH1 ARG 61 5.875 -1.854 16.278 456 HH21 ARG 61 1HH2 ARG 61 2.671 -3.226 15.943 457 HH22 ARG 61 2HH2 ARG 61 3.743 -2.341 16.974 458 H LEU 62 H LEU 62 9.301 -1.218 12.051 459 HA LEU 62 HA LEU 62 9.681 1.652 12.413 460 HB2 LEU 62 1HB LEU 62 10.000 0.037 14.297 461 HB3 LEU 62 2HB LEU 62 11.378 -0.624 13.438 462 HG LEU 62 HG LEU 62 12.353 1.743 13.513 463 HD11 LEU 62 1HD1 LEU 62 9.920 2.060 15.173 464 HD12 LEU 62 2HD1 LEU 62 10.756 3.225 14.147 465 HD13 LEU 62 3HD1 LEU 62 11.400 2.833 15.741 466 HD21 LEU 62 3HD2 LEU 62 12.067 0.633 16.265 467 HD22 LEU 62 1HD2 LEU 62 13.505 1.226 15.431 468 HD23 LEU 62 2HD2 LEU 62 12.831 -0.349 15.015 469 H ILE 63 H ILE 63 11.555 2.762 11.768 470 HA ILE 63 HA ILE 63 13.536 1.473 10.125 471 HB ILE 63 HB ILE 63 11.698 1.758 8.518 472 HG12 ILE 63 1HG1 ILE 63 14.229 2.066 7.978 473 HG13 ILE 63 2HG1 ILE 63 13.031 2.474 6.760 474 HG21 ILE 63 1HG2 ILE 63 11.180 4.121 7.765 475 HG22 ILE 63 2HG2 ILE 63 11.917 4.654 9.276 476 HG23 ILE 63 3HG2 ILE 63 10.495 3.613 9.308 477 HD11 ILE 63 3HD1 ILE 63 13.754 4.560 6.658 478 HD12 ILE 63 1HD1 ILE 63 15.089 4.080 7.704 479 HD13 ILE 63 2HD1 ILE 63 13.621 4.759 8.406 480 H LYS 64 H LYS 64 15.385 2.673 9.882 481 HA LYS 64 HA LYS 64 15.400 5.383 11.040 482 HB2 LYS 64 1HB LYS 64 16.741 3.033 12.027 483 HB3 LYS 64 2HB LYS 64 17.931 4.231 11.533 484 HG2 LYS 64 1HG LYS 64 16.433 5.865 12.911 485 HG3 LYS 64 2HG LYS 64 15.869 4.380 13.679 486 HD2 LYS 64 1HD LYS 64 18.022 3.851 14.473 487 HD3 LYS 64 2HD LYS 64 18.794 5.020 13.399 488 HE2 LYS 64 1HE LYS 64 17.355 6.753 14.716 489 HE3 LYS 64 2HE LYS 64 17.277 5.481 15.935 490 HZ1 LYS 64 3HZ LYS 64 19.824 5.441 15.643 491 HZ2 LYS 64 1HZ LYS 64 19.127 6.682 16.557 492 HZ3 LYS 64 2HZ LYS 64 19.622 6.979 14.969 493 H GLY 65 H GLY 65 17.235 3.048 9.076 494 HA2 GLY 65 1HA GLY 65 17.568 4.717 6.871 495 HA3 GLY 65 2HA GLY 65 18.966 4.955 7.905 496 H GLY 66 H GLY 66 19.838 2.713 8.759 497 HA2 GLY 66 1HA GLY 66 20.603 0.567 8.298 498 HA3 GLY 66 2HA GLY 66 19.665 0.575 6.812 Start of MODEL 6 1 H1 MET 1 1H MET 1 -9.062 0.933 -4.800 2 H2 MET 1 2H MET 1 -7.460 1.546 -4.728 3 H3 MET 1 3H MET 1 -8.257 1.055 -3.290 4 HA MET 1 HA MET 1 -8.396 -1.195 -4.247 5 HB2 MET 1 1HB MET 1 -7.959 -0.250 -6.580 6 HB3 MET 1 2HB MET 1 -6.267 -0.153 -6.113 7 HG2 MET 1 1HG MET 1 -6.125 -2.204 -6.972 8 HG3 MET 1 2HG MET 1 -6.854 -2.718 -5.451 9 HE1 MET 1 3HE MET 1 -8.587 -5.006 -8.117 10 HE2 MET 1 1HE MET 1 -8.011 -5.002 -6.450 11 HE3 MET 1 2HE MET 1 -6.915 -4.574 -7.763 12 H ASN 2 H ASN 2 -7.623 -1.641 -2.225 13 HA ASN 2 HA ASN 2 -4.896 -0.932 -1.509 14 HB2 ASN 2 1HB ASN 2 -7.273 -1.985 -0.056 15 HB3 ASN 2 2HB ASN 2 -5.687 -2.397 0.586 16 HD21 ASN 2 2HD2 ASN 2 -7.378 0.453 -0.716 17 HD22 ASN 2 1HD2 ASN 2 -6.812 1.544 0.498 18 H VAL 3 H VAL 3 -3.208 -2.313 -1.392 19 HA VAL 3 HA VAL 3 -3.649 -5.022 -2.438 20 HB VAL 3 HB VAL 3 -1.200 -5.054 -2.867 21 HG11 VAL 3 1HG1 VAL 3 -3.006 -4.244 -4.500 22 HG12 VAL 3 2HG1 VAL 3 -1.323 -3.867 -4.867 23 HG13 VAL 3 3HG1 VAL 3 -2.374 -2.630 -4.179 24 HG21 VAL 3 3HG2 VAL 3 0.222 -3.347 -2.382 25 HG22 VAL 3 1HG2 VAL 3 -0.939 -3.093 -1.079 26 HG23 VAL 3 2HG2 VAL 3 -1.027 -2.113 -2.542 27 H THR 4 H THR 4 -3.019 -6.828 -1.349 28 HA THR 4 HA THR 4 -2.699 -6.595 1.487 29 HB THR 4 HB THR 4 -2.400 -9.098 -0.180 30 HG1 THR 4 HG1 THR 4 -4.589 -9.328 -0.059 31 HG21 THR 4 3HG2 THR 4 -3.582 -10.029 1.929 32 HG22 THR 4 1HG2 THR 4 -2.941 -8.580 2.706 33 HG23 THR 4 2HG2 THR 4 -1.843 -9.739 1.957 34 H VAL 5 H VAL 5 -0.861 -6.212 2.482 35 HA VAL 5 HA VAL 5 1.652 -7.125 1.240 36 HB VAL 5 HB VAL 5 2.733 -5.236 2.514 37 HG11 VAL 5 1HG1 VAL 5 2.149 -5.181 0.078 38 HG12 VAL 5 2HG1 VAL 5 2.237 -3.598 0.851 39 HG13 VAL 5 3HG1 VAL 5 0.669 -4.328 0.516 40 HG21 VAL 5 3HG2 VAL 5 1.337 -3.403 3.280 41 HG22 VAL 5 1HG2 VAL 5 0.903 -4.886 4.129 42 HG23 VAL 5 2HG2 VAL 5 -0.115 -4.288 2.820 43 H GLU 6 H GLU 6 3.072 -8.271 2.466 44 HA GLU 6 HA GLU 6 2.094 -9.317 4.970 45 HB2 GLU 6 1HB GLU 6 3.516 -10.454 3.009 46 HB3 GLU 6 2HB GLU 6 4.846 -9.943 4.037 47 HG2 GLU 6 1HG GLU 6 3.125 -11.110 5.823 48 HG3 GLU 6 2HG GLU 6 2.930 -12.108 4.383 49 H VAL 7 H VAL 7 2.377 -8.298 6.807 50 HA VAL 7 HA VAL 7 4.488 -6.336 7.142 51 HB VAL 7 HB VAL 7 2.415 -7.210 9.163 52 HG11 VAL 7 1HG1 VAL 7 2.894 -5.139 10.280 53 HG12 VAL 7 2HG1 VAL 7 3.994 -4.646 8.993 54 HG13 VAL 7 3HG1 VAL 7 4.408 -6.008 10.036 55 HG21 VAL 7 3HG2 VAL 7 2.180 -4.710 7.543 56 HG22 VAL 7 1HG2 VAL 7 0.926 -5.637 8.367 57 HG23 VAL 7 2HG2 VAL 7 1.629 -6.243 6.868 58 H VAL 8 H VAL 8 6.303 -6.590 8.311 59 HA VAL 8 HA VAL 8 7.298 -9.122 8.924 60 HB VAL 8 HB VAL 8 8.198 -6.541 10.221 61 HG11 VAL 8 1HG1 VAL 8 9.295 -9.283 10.044 62 HG12 VAL 8 2HG1 VAL 8 9.463 -8.072 11.314 63 HG13 VAL 8 3HG1 VAL 8 10.441 -7.957 9.851 64 HG21 VAL 8 3HG2 VAL 8 8.490 -7.545 7.455 65 HG22 VAL 8 1HG2 VAL 8 9.938 -6.871 8.204 66 HG23 VAL 8 2HG2 VAL 8 8.475 -5.891 8.068 67 H GLY 9 H GLY 9 6.801 -10.501 10.487 68 HA2 GLY 9 1HA GLY 9 6.780 -10.891 12.914 69 HA3 GLY 9 2HA GLY 9 5.808 -9.427 13.056 70 H GLU 10 H GLU 10 3.687 -9.717 13.275 71 HA GLU 10 HA GLU 10 2.520 -12.212 12.234 72 HB2 GLU 10 1HB GLU 10 0.883 -12.056 14.124 73 HB3 GLU 10 2HB GLU 10 2.537 -12.396 14.608 74 HG2 GLU 10 1HG GLU 10 1.509 -9.588 14.614 75 HG3 GLU 10 2HG GLU 10 1.127 -10.684 15.940 76 H GLU 11 H GLU 11 0.234 -12.123 11.691 77 HA GLU 11 HA GLU 11 -1.588 -11.266 10.650 78 HB2 GLU 11 1HB GLU 11 -0.706 -8.889 12.244 79 HB3 GLU 11 2HB GLU 11 -1.997 -8.717 11.065 80 HG2 GLU 11 1HG GLU 11 -3.485 -9.692 12.396 81 HG3 GLU 11 2HG GLU 11 -2.389 -11.015 12.791 82 H THR 12 H THR 12 -2.301 -9.788 8.917 83 HA THR 12 HA THR 12 -0.056 -8.788 7.290 84 HB THR 12 HB THR 12 -2.504 -10.191 6.198 85 HG1 THR 12 HG1 THR 12 -1.338 -11.775 7.158 86 HG21 THR 12 3HG2 THR 12 0.078 -9.799 4.752 87 HG22 THR 12 1HG2 THR 12 -1.158 -8.542 4.750 88 HG23 THR 12 2HG2 THR 12 -1.526 -10.143 4.106 89 H SER 13 H SER 13 -0.324 -6.806 6.413 90 HA SER 13 HA SER 13 -2.922 -5.485 6.842 91 HB2 SER 13 1HB SER 13 -0.143 -4.295 6.699 92 HB3 SER 13 2HB SER 13 -1.630 -3.356 6.836 93 HG SER 13 HG SER 13 -1.229 -3.604 8.898 94 H GLU 14 H GLU 14 -3.471 -3.749 5.281 95 HA GLU 14 HA GLU 14 -2.486 -4.361 2.574 96 HB2 GLU 14 1HB GLU 14 -5.331 -3.583 3.217 97 HB3 GLU 14 2HB GLU 14 -4.694 -4.138 1.675 98 HG2 GLU 14 1HG GLU 14 -4.549 -6.339 2.377 99 HG3 GLU 14 2HG GLU 14 -4.556 -5.902 4.084 100 H VAL 15 H VAL 15 -1.948 -2.655 1.317 101 HA VAL 15 HA VAL 15 -2.635 0.042 2.284 102 HB VAL 15 HB VAL 15 0.062 -0.676 1.124 103 HG11 VAL 15 1HG1 VAL 15 -0.104 1.579 0.807 104 HG12 VAL 15 2HG1 VAL 15 0.531 1.556 2.452 105 HG13 VAL 15 3HG1 VAL 15 -1.192 1.808 2.176 106 HG21 VAL 15 3HG2 VAL 15 0.972 -0.596 3.358 107 HG22 VAL 15 1HG2 VAL 15 -0.293 -1.823 3.283 108 HG23 VAL 15 2HG2 VAL 15 -0.623 -0.261 4.032 109 H ALA 16 H ALA 16 -2.824 1.664 0.710 110 HA ALA 16 HA ALA 16 -3.559 0.676 -1.918 111 HB1 ALA 16 3HB ALA 16 -4.651 2.734 -2.259 112 HB2 ALA 16 1HB ALA 16 -3.728 3.528 -0.983 113 HB3 ALA 16 2HB ALA 16 -4.944 2.318 -0.570 114 H VAL 17 H VAL 17 -2.357 0.848 -3.695 115 HA VAL 17 HA VAL 17 0.025 2.589 -3.609 116 HB VAL 17 HB VAL 17 0.977 0.987 -5.331 117 HG11 VAL 17 1HG1 VAL 17 2.077 -0.094 -3.685 118 HG12 VAL 17 2HG1 VAL 17 0.594 -0.625 -2.895 119 HG13 VAL 17 3HG1 VAL 17 1.186 1.017 -2.644 120 HG21 VAL 17 3HG2 VAL 17 -1.427 -0.031 -5.627 121 HG22 VAL 17 1HG2 VAL 17 -0.922 -1.063 -4.290 122 HG23 VAL 17 2HG2 VAL 17 0.005 -1.045 -5.790 123 H ASP 18 H ASP 18 0.797 3.321 -5.772 124 HA ASP 18 HA ASP 18 -1.400 4.434 -7.276 125 HB2 ASP 18 1HB ASP 18 0.450 5.502 -8.627 126 HB3 ASP 18 2HB ASP 18 0.429 5.911 -6.915 127 H ASP 19 H ASP 19 0.487 1.604 -7.518 128 HA ASP 19 HA ASP 19 0.803 1.224 -10.244 129 HB2 ASP 19 1HB ASP 19 1.336 -0.283 -8.060 130 HB3 ASP 19 2HB ASP 19 -0.047 -1.163 -8.709 131 H ASP 20 H ASP 20 -2.097 0.797 -8.278 132 HA ASP 20 HA ASP 20 -3.596 -0.416 -10.417 133 HB2 ASP 20 1HB ASP 20 -5.564 0.103 -8.789 134 HB3 ASP 20 2HB ASP 20 -4.382 -1.124 -8.343 135 H GLY 21 H GLY 21 -3.503 2.803 -8.881 136 HA2 GLY 21 1HA GLY 21 -3.890 4.848 -9.943 137 HA3 GLY 21 2HA GLY 21 -4.447 3.971 -11.367 138 H THR 22 H THR 22 -5.734 3.244 -8.204 139 HA THR 22 HA THR 22 -8.368 4.057 -9.127 140 HB THR 22 HB THR 22 -8.043 2.887 -6.417 141 HG1 THR 22 HG1 THR 22 -7.420 1.449 -8.784 142 HG21 THR 22 3HG2 THR 22 -9.895 2.529 -8.726 143 HG22 THR 22 1HG2 THR 22 -10.253 2.957 -7.055 144 HG23 THR 22 2HG2 THR 22 -9.788 1.305 -7.459 145 H TYR 23 H TYR 23 -9.843 4.919 -7.246 146 HA TYR 23 HA TYR 23 -9.106 7.555 -6.730 147 HB2 TYR 23 1HB TYR 23 -11.046 7.585 -5.148 148 HB3 TYR 23 2HB TYR 23 -11.432 6.941 -6.741 149 HD1 TYR 23 HD2 TYR 23 -10.895 6.072 -3.199 150 HD2 TYR 23 HD1 TYR 23 -12.112 4.658 -7.023 151 HE1 TYR 23 HE2 TYR 23 -11.801 4.041 -2.153 152 HE2 TYR 23 HE1 TYR 23 -13.024 2.627 -5.989 153 HH TYR 23 HH TYR 23 -12.301 1.657 -2.882 154 H ALA 24 H ALA 24 -8.648 4.665 -4.788 155 HA ALA 24 HA ALA 24 -8.080 5.808 -2.311 156 HB1 ALA 24 3HB ALA 24 -6.475 3.692 -2.213 157 HB2 ALA 24 1HB ALA 24 -7.393 3.256 -3.654 158 HB3 ALA 24 2HB ALA 24 -8.230 3.546 -2.130 159 H ASP 25 H ASP 25 -5.992 5.310 -5.129 160 HA ASP 25 HA ASP 25 -3.560 6.038 -3.896 161 HB2 ASP 25 1HB ASP 25 -3.632 4.859 -6.045 162 HB3 ASP 25 2HB ASP 25 -4.370 6.266 -6.804 163 H LEU 26 H LEU 26 -6.023 7.936 -5.592 164 HA LEU 26 HA LEU 26 -4.688 10.381 -5.738 165 HB2 LEU 26 1HB LEU 26 -7.134 9.492 -6.493 166 HB3 LEU 26 2HB LEU 26 -7.579 10.472 -5.112 167 HG LEU 26 HG LEU 26 -7.770 11.742 -7.180 168 HD11 LEU 26 1HD1 LEU 26 -6.808 13.696 -6.423 169 HD12 LEU 26 2HD1 LEU 26 -5.365 12.880 -5.823 170 HD13 LEU 26 3HD1 LEU 26 -6.889 12.729 -4.950 171 HD21 LEU 26 3HD2 LEU 26 -5.952 12.194 -8.627 172 HD22 LEU 26 1HD2 LEU 26 -5.972 10.449 -8.377 173 HD23 LEU 26 2HD2 LEU 26 -4.796 11.448 -7.524 174 H VAL 27 H VAL 27 -6.566 8.950 -3.106 175 HA VAL 27 HA VAL 27 -6.525 11.220 -1.406 176 HB VAL 27 HB VAL 27 -6.738 8.337 -0.524 177 HG11 VAL 27 1HG1 VAL 27 -6.504 9.622 1.392 178 HG12 VAL 27 2HG1 VAL 27 -8.254 9.503 1.210 179 HG13 VAL 27 3HG1 VAL 27 -7.415 10.974 0.719 180 HG21 VAL 27 3HG2 VAL 27 -9.212 8.711 -0.681 181 HG22 VAL 27 1HG2 VAL 27 -8.381 8.623 -2.235 182 HG23 VAL 27 2HG2 VAL 27 -8.870 10.187 -1.582 183 H ARG 28 H ARG 28 -4.540 8.251 -1.442 184 HA ARG 28 HA ARG 28 -2.858 8.961 0.691 185 HB2 ARG 28 1HB ARG 28 -3.070 6.680 -0.320 186 HB3 ARG 28 2HB ARG 28 -2.116 7.248 -1.682 187 HG2 ARG 28 1HG ARG 28 -0.813 7.796 0.844 188 HG3 ARG 28 2HG ARG 28 -1.165 6.080 0.638 189 HD2 ARG 28 1HD ARG 28 0.754 6.035 -0.519 190 HD3 ARG 28 2HD ARG 28 -0.204 6.738 -1.823 191 HE ARG 28 HE ARG 28 0.747 8.816 -0.205 192 HH11 ARG 28 1HH1 ARG 28 1.988 6.411 -2.424 193 HH12 ARG 28 2HH1 ARG 28 3.350 7.370 -2.895 194 HH21 ARG 28 1HH2 ARG 28 2.541 10.075 -0.832 195 HH22 ARG 28 2HH2 ARG 28 3.664 9.447 -1.991 196 H ALA 29 H ALA 29 -2.699 9.703 -2.749 197 HA ALA 29 HA ALA 29 -0.082 10.674 -2.899 198 HB1 ALA 29 3HB ALA 29 -1.258 12.196 -4.745 199 HB2 ALA 29 1HB ALA 29 -2.554 11.025 -4.495 200 HB3 ALA 29 2HB ALA 29 -0.950 10.478 -4.987 201 H VAL 30 H VAL 30 -2.989 12.160 -1.642 202 HA VAL 30 HA VAL 30 -1.674 14.756 -1.382 203 HB VAL 30 HB VAL 30 -4.476 14.072 -0.499 204 HG11 VAL 30 1HG1 VAL 30 -2.913 16.373 -0.241 205 HG12 VAL 30 2HG1 VAL 30 -4.647 16.222 0.035 206 HG13 VAL 30 3HG1 VAL 30 -4.047 16.722 -1.546 207 HG21 VAL 30 3HG2 VAL 30 -4.948 13.662 -2.648 208 HG22 VAL 30 1HG2 VAL 30 -3.406 14.313 -3.206 209 HG23 VAL 30 2HG2 VAL 30 -4.758 15.398 -2.884 210 H ASP 31 H ASP 31 -0.949 12.284 0.210 211 HA ASP 31 HA ASP 31 -0.311 11.739 2.310 212 HB2 ASP 31 1HB ASP 31 -0.383 14.716 2.371 213 HB3 ASP 31 2HB ASP 31 -0.237 13.874 3.911 214 H LEU 32 H LEU 32 -2.883 11.104 1.841 215 HA LEU 32 HA LEU 32 -4.166 11.670 4.430 216 HB2 LEU 32 1HB LEU 32 -5.372 11.725 1.684 217 HB3 LEU 32 2HB LEU 32 -6.361 11.348 3.079 218 HG LEU 32 HG LEU 32 -4.807 13.754 3.521 219 HD11 LEU 32 1HD1 LEU 32 -6.541 14.937 1.846 220 HD12 LEU 32 2HD1 LEU 32 -6.210 13.458 0.943 221 HD13 LEU 32 3HD1 LEU 32 -4.884 14.526 1.404 222 HD21 LEU 32 3HD2 LEU 32 -7.775 13.223 3.424 223 HD22 LEU 32 1HD2 LEU 32 -6.994 14.645 4.116 224 HD23 LEU 32 2HD2 LEU 32 -6.745 13.057 4.845 225 H SER 33 H SER 33 -2.507 9.487 3.991 226 HA SER 33 HA SER 33 -4.301 7.215 3.537 227 HB2 SER 33 1HB SER 33 -1.918 7.483 2.493 228 HB3 SER 33 2HB SER 33 -1.362 6.936 4.075 229 HG SER 33 HG SER 33 -2.802 5.557 2.113 230 HA PRO 34 HA PRO 34 -4.578 6.663 7.951 231 HB2 PRO 34 1HB PRO 34 -5.908 4.315 7.964 232 HB3 PRO 34 2HB PRO 34 -6.687 5.836 7.513 233 HG2 PRO 34 1HG PRO 34 -5.627 3.656 5.761 234 HG3 PRO 34 2HG PRO 34 -7.122 4.593 5.603 235 HD2 PRO 34 1HD PRO 34 -4.851 5.107 4.171 236 HD3 PRO 34 2HD PRO 34 -6.063 6.341 4.570 237 H HIS 35 H HIS 35 -3.341 4.105 5.837 238 HA HIS 35 HA HIS 35 -2.115 2.652 8.001 239 HB2 HIS 35 1HB HIS 35 -1.809 2.351 5.004 240 HB3 HIS 35 2HB HIS 35 -1.167 1.237 6.207 241 HD1 HIS 35 HD1 HIS 35 -3.904 1.504 4.000 242 HD2 HIS 35 HD2 HIS 35 -3.519 0.327 7.968 243 HE1 HIS 35 HE1 HIS 35 -5.958 0.140 4.501 244 HE2 HIS 35 HE2 HIS 35 -5.688 -0.588 6.898 245 H GLU 36 H GLU 36 -0.998 4.799 5.406 246 HA GLU 36 HA GLU 36 1.012 5.772 4.972 247 HB2 GLU 36 1HB GLU 36 0.471 6.141 7.866 248 HB3 GLU 36 2HB GLU 36 2.083 6.556 7.306 249 HG2 GLU 36 1HG GLU 36 1.160 8.108 5.696 250 HG3 GLU 36 2HG GLU 36 -0.476 7.651 6.166 251 H VAL 37 H VAL 37 1.585 3.348 4.466 252 HA VAL 37 HA VAL 37 4.046 2.725 5.975 253 HB VAL 37 HB VAL 37 3.294 0.300 4.852 254 HG11 VAL 37 1HG1 VAL 37 4.239 0.150 6.923 255 HG12 VAL 37 2HG1 VAL 37 2.547 -0.094 7.361 256 HG13 VAL 37 3HG1 VAL 37 3.295 1.489 7.576 257 HG21 VAL 37 3HG2 VAL 37 1.041 1.232 4.409 258 HG22 VAL 37 1HG2 VAL 37 0.853 1.526 6.138 259 HG23 VAL 37 2HG2 VAL 37 1.017 -0.123 5.536 260 H THR 38 H THR 38 5.819 1.996 4.800 261 HA THR 38 HA THR 38 5.821 2.760 1.999 262 HB THR 38 HB THR 38 8.351 1.832 2.511 263 HG1 THR 38 HG1 THR 38 8.233 1.471 4.624 264 HG21 THR 38 3HG2 THR 38 7.501 4.593 3.313 265 HG22 THR 38 1HG2 THR 38 7.651 4.083 1.630 266 HG23 THR 38 2HG2 THR 38 9.063 4.063 2.688 267 H VAL 39 H VAL 39 5.966 1.418 0.289 268 HA VAL 39 HA VAL 39 5.670 -1.435 0.800 269 HB VAL 39 HB VAL 39 5.120 -1.623 -1.594 270 HG11 VAL 39 1HG1 VAL 39 3.539 -0.722 0.366 271 HG12 VAL 39 2HG1 VAL 39 2.976 -0.966 -1.288 272 HG13 VAL 39 3HG1 VAL 39 3.430 0.647 -0.738 273 HG21 VAL 39 3HG2 VAL 39 4.673 0.989 -2.421 274 HG22 VAL 39 1HG2 VAL 39 5.944 -0.093 -2.991 275 HG23 VAL 39 2HG2 VAL 39 6.273 1.038 -1.679 276 H LEU 40 H LEU 40 7.124 -2.972 0.292 277 HA LEU 40 HA LEU 40 9.739 -2.073 -0.694 278 HB2 LEU 40 1HB LEU 40 8.818 -4.269 1.090 279 HB3 LEU 40 2HB LEU 40 10.248 -4.566 0.118 280 HG LEU 40 HG LEU 40 11.342 -2.607 1.126 281 HD11 LEU 40 1HD1 LEU 40 9.331 -1.285 1.597 282 HD12 LEU 40 2HD1 LEU 40 10.341 -1.472 3.030 283 HD13 LEU 40 3HD1 LEU 40 8.874 -2.434 2.854 284 HD21 LEU 40 3HD2 LEU 40 11.792 -4.697 2.159 285 HD22 LEU 40 1HD2 LEU 40 10.248 -4.685 3.009 286 HD23 LEU 40 2HD2 LEU 40 11.509 -3.536 3.455 287 H VAL 41 H VAL 41 10.879 -3.302 -2.261 288 HA VAL 41 HA VAL 41 9.172 -4.978 -3.980 289 HB VAL 41 HB VAL 41 11.556 -3.485 -5.032 290 HG11 VAL 41 1HG1 VAL 41 9.009 -4.473 -6.310 291 HG12 VAL 41 2HG1 VAL 41 10.593 -5.240 -6.416 292 HG13 VAL 41 3HG1 VAL 41 10.329 -3.657 -7.146 293 HG21 VAL 41 3HG2 VAL 41 10.022 -1.676 -5.760 294 HG22 VAL 41 1HG2 VAL 41 10.226 -1.756 -4.010 295 HG23 VAL 41 2HG2 VAL 41 8.760 -2.389 -4.757 296 H ASP 42 H ASP 42 9.808 -7.036 -4.017 297 HA ASP 42 HA ASP 42 12.053 -8.003 -2.708 298 HB2 ASP 42 1HB ASP 42 10.111 -9.399 -3.166 299 HB3 ASP 42 2HB ASP 42 10.402 -9.277 -4.895 300 H GLY 43 H GLY 43 14.077 -7.880 -3.192 301 HA2 GLY 43 1HA GLY 43 15.954 -7.265 -4.360 302 HA3 GLY 43 2HA GLY 43 15.537 -8.717 -5.243 303 H ARG 44 H ARG 44 13.703 -5.684 -5.370 304 HA ARG 44 HA ARG 44 14.753 -5.221 -8.077 305 HB2 ARG 44 1HB ARG 44 12.157 -6.144 -7.444 306 HB3 ARG 44 2HB ARG 44 11.988 -4.466 -7.942 307 HG2 ARG 44 1HG ARG 44 12.218 -5.025 -10.069 308 HG3 ARG 44 2HG ARG 44 13.753 -5.830 -9.738 309 HD2 ARG 44 1HD ARG 44 12.051 -7.666 -8.759 310 HD3 ARG 44 2HD ARG 44 11.033 -6.953 -10.011 311 HE ARG 44 HE ARG 44 12.374 -7.904 -11.607 312 HH11 ARG 44 1HH1 ARG 44 13.997 -8.087 -8.510 313 HH12 ARG 44 2HH1 ARG 44 15.257 -9.124 -9.091 314 HH21 ARG 44 1HH2 ARG 44 14.041 -9.271 -12.372 315 HH22 ARG 44 2HH2 ARG 44 15.284 -9.795 -11.284 316 HA PRO 45 HA PRO 45 15.014 -0.999 -6.729 317 HB2 PRO 45 1HB PRO 45 15.118 0.273 -9.117 318 HB3 PRO 45 2HB PRO 45 16.468 -0.675 -8.484 319 HG2 PRO 45 1HG PRO 45 14.451 -1.393 -10.559 320 HG3 PRO 45 2HG PRO 45 16.180 -1.776 -10.489 321 HD2 PRO 45 1HD PRO 45 14.169 -3.536 -9.822 322 HD3 PRO 45 2HD PRO 45 15.833 -3.642 -9.220 323 H VAL 46 H VAL 46 12.744 -1.496 -9.452 324 HA VAL 46 HA VAL 46 10.561 -0.328 -8.002 325 HB VAL 46 HB VAL 46 10.125 1.347 -9.945 326 HG11 VAL 46 1HG1 VAL 46 10.789 3.059 -8.583 327 HG12 VAL 46 2HG1 VAL 46 12.325 2.290 -8.177 328 HG13 VAL 46 3HG1 VAL 46 10.830 1.717 -7.439 329 HG21 VAL 46 3HG2 VAL 46 12.387 0.366 -10.990 330 HG22 VAL 46 1HG2 VAL 46 13.055 1.715 -10.075 331 HG23 VAL 46 2HG2 VAL 46 11.817 2.007 -11.296 332 HA PRO 47 HA PRO 47 8.776 -3.195 -10.948 333 HB2 PRO 47 1HB PRO 47 6.317 -3.344 -9.890 334 HB3 PRO 47 2HB PRO 47 7.715 -4.065 -9.083 335 HG2 PRO 47 1HG PRO 47 6.306 -1.493 -8.504 336 HG3 PRO 47 2HG PRO 47 6.958 -2.692 -7.374 337 HD2 PRO 47 1HD PRO 47 8.228 -0.343 -8.083 338 HD3 PRO 47 2HD PRO 47 9.047 -1.778 -7.439 339 H GLU 48 H GLU 48 9.059 -0.688 -12.035 340 HA GLU 48 HA GLU 48 6.606 0.592 -12.677 341 HB2 GLU 48 1HB GLU 48 9.215 0.707 -14.201 342 HB3 GLU 48 2HB GLU 48 7.883 1.848 -14.320 343 HG2 GLU 48 1HG GLU 48 9.593 1.375 -11.888 344 HG3 GLU 48 2HG GLU 48 9.702 2.747 -12.987 345 H ASP 49 H ASP 49 8.489 -1.951 -14.216 346 HA ASP 49 HA ASP 49 6.578 -2.074 -16.435 347 HB2 ASP 49 1HB ASP 49 9.398 -2.737 -16.087 348 HB3 ASP 49 2HB ASP 49 8.497 -4.016 -16.897 349 H GLN 50 H GLN 50 6.186 -3.068 -13.553 350 HA GLN 50 HA GLN 50 6.021 -5.916 -13.753 351 HB2 GLN 50 1HB GLN 50 6.271 -4.413 -11.644 352 HB3 GLN 50 2HB GLN 50 4.520 -4.287 -11.726 353 HG2 GLN 50 1HG GLN 50 4.943 -6.029 -10.230 354 HG3 GLN 50 2HG GLN 50 4.484 -6.822 -11.735 355 HE21 GLN 50 2HE2 GLN 50 6.821 -6.561 -9.311 356 HE22 GLN 50 1HE2 GLN 50 8.046 -7.534 -10.042 357 H SER 51 H SER 51 4.266 -7.210 -14.125 358 HA SER 51 HA SER 51 2.078 -6.037 -15.593 359 HB2 SER 51 1HB SER 51 3.364 -8.408 -15.832 360 HB3 SER 51 2HB SER 51 1.971 -8.914 -14.878 361 HG SER 51 HG SER 51 2.093 -7.937 -17.483 362 H VAL 52 H VAL 52 -0.200 -6.817 -15.130 363 HA VAL 52 HA VAL 52 -2.029 -7.033 -13.780 364 HB VAL 52 HB VAL 52 -0.151 -7.516 -11.459 365 HG11 VAL 52 1HG1 VAL 52 -1.950 -7.986 -10.204 366 HG12 VAL 52 2HG1 VAL 52 -2.784 -8.806 -11.525 367 HG13 VAL 52 3HG1 VAL 52 -2.829 -7.048 -11.409 368 HG21 VAL 52 3HG2 VAL 52 0.173 -9.652 -12.077 369 HG22 VAL 52 1HG2 VAL 52 -0.262 -9.086 -13.689 370 HG23 VAL 52 2HG2 VAL 52 -1.481 -9.836 -12.659 371 H GLU 53 H GLU 53 -3.292 -5.496 -12.866 372 HA GLU 53 HA GLU 53 -2.374 -2.887 -12.560 373 HB2 GLU 53 1HB GLU 53 -4.580 -2.467 -11.413 374 HB3 GLU 53 2HB GLU 53 -4.688 -3.215 -12.997 375 HG2 GLU 53 1HG GLU 53 -4.568 -5.309 -11.116 376 HG3 GLU 53 2HG GLU 53 -5.714 -4.122 -10.495 377 H VAL 54 H VAL 54 -2.807 -5.424 -10.144 378 HA VAL 54 HA VAL 54 -1.670 -3.619 -8.114 379 HB VAL 54 HB VAL 54 -2.612 -5.091 -6.404 380 HG11 VAL 54 1HG1 VAL 54 -4.815 -4.347 -6.539 381 HG12 VAL 54 2HG1 VAL 54 -4.858 -4.492 -8.296 382 HG13 VAL 54 3HG1 VAL 54 -3.929 -3.196 -7.540 383 HG21 VAL 54 3HG2 VAL 54 -2.556 -7.217 -7.512 384 HG22 VAL 54 1HG2 VAL 54 -3.693 -6.661 -8.741 385 HG23 VAL 54 2HG2 VAL 54 -4.229 -6.868 -7.073 386 H ASP 55 H ASP 55 -0.221 -4.652 -6.511 387 HA ASP 55 HA ASP 55 1.136 -7.070 -7.413 388 HB2 ASP 55 1HB ASP 55 2.217 -4.981 -8.455 389 HB3 ASP 55 2HB ASP 55 2.768 -4.602 -6.826 390 H ARG 56 H ARG 56 2.571 -7.981 -5.793 391 HA ARG 56 HA ARG 56 1.651 -7.332 -3.093 392 HB2 ARG 56 1HB ARG 56 1.751 -9.724 -4.185 393 HB3 ARG 56 2HB ARG 56 3.440 -9.656 -3.699 394 HG2 ARG 56 1HG ARG 56 2.961 -9.908 -1.519 395 HG3 ARG 56 2HG ARG 56 1.514 -8.905 -1.610 396 HD2 ARG 56 1HD ARG 56 0.186 -10.680 -2.342 397 HD3 ARG 56 2HD ARG 56 1.579 -11.637 -2.840 398 HE ARG 56 HE ARG 56 0.402 -11.519 -0.228 399 HH11 ARG 56 1HH1 ARG 56 3.375 -12.139 -1.969 400 HH12 ARG 56 2HH1 ARG 56 4.040 -13.144 -0.726 401 HH21 ARG 56 1HH2 ARG 56 1.277 -12.851 1.407 402 HH22 ARG 56 2HH2 ARG 56 2.847 -13.549 1.193 403 H VAL 57 H VAL 57 2.876 -6.287 -1.680 404 HA VAL 57 HA VAL 57 5.793 -6.249 -2.055 405 HB VAL 57 HB VAL 57 5.751 -3.817 -1.349 406 HG11 VAL 57 1HG1 VAL 57 6.141 -4.623 -3.677 407 HG12 VAL 57 2HG1 VAL 57 5.434 -3.009 -3.582 408 HG13 VAL 57 3HG1 VAL 57 4.420 -4.392 -3.992 409 HG21 VAL 57 3HG2 VAL 57 2.829 -4.290 -1.749 410 HG22 VAL 57 1HG2 VAL 57 3.519 -2.709 -2.116 411 HG23 VAL 57 2HG2 VAL 57 3.656 -3.376 -0.489 412 H LYS 58 H LYS 58 6.928 -5.329 -0.085 413 HA LYS 58 HA LYS 58 5.646 -6.421 2.329 414 HB2 LYS 58 1HB LYS 58 8.489 -5.658 2.488 415 HB3 LYS 58 2HB LYS 58 7.680 -7.111 3.053 416 HG2 LYS 58 1HG LYS 58 7.577 -7.558 0.415 417 HG3 LYS 58 2HG LYS 58 9.029 -6.557 0.486 418 HD2 LYS 58 1HD LYS 58 10.237 -8.195 1.423 419 HD3 LYS 58 2HD LYS 58 8.955 -8.601 2.564 420 HE2 LYS 58 1HE LYS 58 9.027 -10.534 1.341 421 HE3 LYS 58 2HE LYS 58 7.823 -9.630 0.422 422 HZ1 LYS 58 3HZ LYS 58 10.030 -8.843 -0.814 423 HZ2 LYS 58 1HZ LYS 58 9.167 -10.223 -1.275 424 HZ3 LYS 58 2HZ LYS 58 10.546 -10.371 -0.306 425 H VAL 59 H VAL 59 5.241 -5.166 4.100 426 HA VAL 59 HA VAL 59 6.043 -2.334 3.911 427 HB VAL 59 HB VAL 59 4.021 -1.873 5.371 428 HG11 VAL 59 1HG1 VAL 59 4.302 -1.605 2.800 429 HG12 VAL 59 2HG1 VAL 59 2.704 -1.444 3.527 430 HG13 VAL 59 3HG1 VAL 59 3.157 -2.944 2.718 431 HG21 VAL 59 3HG2 VAL 59 3.602 -4.176 6.090 432 HG22 VAL 59 1HG2 VAL 59 3.219 -4.625 4.429 433 HG23 VAL 59 2HG2 VAL 59 2.191 -3.482 5.292 434 H LEU 60 H LEU 60 6.880 -1.322 5.664 435 HA LEU 60 HA LEU 60 7.427 -3.018 8.014 436 HB2 LEU 60 1HB LEU 60 9.185 -1.585 6.325 437 HB3 LEU 60 2HB LEU 60 9.163 -0.734 7.859 438 HG LEU 60 HG LEU 60 9.586 -3.057 8.913 439 HD11 LEU 60 1HD1 LEU 60 10.681 -4.673 7.529 440 HD12 LEU 60 2HD1 LEU 60 10.588 -3.607 6.128 441 HD13 LEU 60 3HD1 LEU 60 9.115 -4.296 6.811 442 HD21 LEU 60 3HD2 LEU 60 11.206 -0.992 8.288 443 HD22 LEU 60 1HD2 LEU 60 11.983 -2.292 7.383 444 HD23 LEU 60 2HD2 LEU 60 11.746 -2.449 9.123 445 H ARG 61 H ARG 61 6.388 -2.446 9.799 446 HA ARG 61 HA ARG 61 4.811 -0.141 10.051 447 HB2 ARG 61 1HB ARG 61 5.891 -2.045 12.131 448 HB3 ARG 61 2HB ARG 61 4.758 -0.753 12.506 449 HG2 ARG 61 1HG ARG 61 3.310 -1.839 10.639 450 HG3 ARG 61 2HG ARG 61 4.327 -3.252 10.929 451 HD2 ARG 61 1HD ARG 61 2.803 -1.789 13.078 452 HD3 ARG 61 2HD ARG 61 2.202 -3.218 12.240 453 HE ARG 61 HE ARG 61 4.603 -4.028 13.186 454 HH11 ARG 61 1HH1 ARG 61 1.831 -2.519 14.694 455 HH12 ARG 61 2HH1 ARG 61 2.117 -3.249 16.237 456 HH21 ARG 61 1HH2 ARG 61 4.974 -4.992 15.225 457 HH22 ARG 61 2HH2 ARG 61 3.900 -4.651 16.539 458 H LEU 62 H LEU 62 8.152 -0.774 10.939 459 HA LEU 62 HA LEU 62 8.384 2.000 11.909 460 HB2 LEU 62 1HB LEU 62 10.009 -0.435 12.650 461 HB3 LEU 62 2HB LEU 62 10.389 1.198 13.160 462 HG LEU 62 HG LEU 62 7.682 0.128 13.804 463 HD11 LEU 62 1HD1 LEU 62 9.278 -1.690 14.368 464 HD12 LEU 62 2HD1 LEU 62 8.462 -1.000 15.772 465 HD13 LEU 62 3HD1 LEU 62 10.133 -0.558 15.419 466 HD21 LEU 62 3HD2 LEU 62 9.603 2.137 14.883 467 HD22 LEU 62 1HD2 LEU 62 8.425 1.405 15.975 468 HD23 LEU 62 2HD2 LEU 62 7.877 2.288 14.551 469 H ILE 63 H ILE 63 10.119 3.256 11.192 470 HA ILE 63 HA ILE 63 12.066 2.153 9.360 471 HB ILE 63 HB ILE 63 10.141 2.546 7.873 472 HG12 ILE 63 1HG1 ILE 63 12.056 4.716 7.147 473 HG13 ILE 63 2HG1 ILE 63 12.689 3.084 7.337 474 HG21 ILE 63 1HG2 ILE 63 9.508 4.645 9.400 475 HG22 ILE 63 2HG2 ILE 63 8.961 4.473 7.734 476 HG23 ILE 63 3HG2 ILE 63 10.357 5.485 8.103 477 HD11 ILE 63 3HD1 ILE 63 10.691 2.477 5.748 478 HD12 ILE 63 1HD1 ILE 63 12.214 3.096 5.110 479 HD13 ILE 63 2HD1 ILE 63 10.832 4.176 5.297 480 H LYS 64 H LYS 64 13.858 3.507 9.035 481 HA LYS 64 HA LYS 64 15.394 5.105 9.562 482 HB2 LYS 64 1HB LYS 64 13.338 6.520 8.693 483 HB3 LYS 64 2HB LYS 64 13.249 7.025 10.374 484 HG2 LYS 64 1HG LYS 64 15.764 7.574 10.091 485 HG3 LYS 64 2HG LYS 64 15.402 7.527 8.365 486 HD2 LYS 64 1HD LYS 64 13.471 9.124 8.933 487 HD3 LYS 64 2HD LYS 64 14.304 9.366 10.469 488 HE2 LYS 64 1HE LYS 64 15.945 9.603 8.019 489 HE3 LYS 64 2HE LYS 64 14.750 10.869 8.287 490 HZ1 LYS 64 3HZ LYS 64 16.461 10.122 10.540 491 HZ2 LYS 64 1HZ LYS 64 15.828 11.634 10.117 492 HZ3 LYS 64 2HZ LYS 64 17.164 11.014 9.287 493 H GLY 65 H GLY 65 14.663 3.255 11.564 494 HA2 GLY 65 1HA GLY 65 15.736 3.216 13.732 495 HA3 GLY 65 2HA GLY 65 15.195 4.871 13.972 496 H GLY 66 H GLY 66 13.147 5.274 14.734 497 HA2 GLY 66 1HA GLY 66 10.900 4.658 15.239 498 HA3 GLY 66 2HA GLY 66 11.382 2.969 15.183 Start of MODEL 7 1 H1 MET 1 1H MET 1 -6.267 -0.054 -5.822 2 H2 MET 1 2H MET 1 -6.354 1.273 -4.737 3 H3 MET 1 3H MET 1 -7.639 0.974 -5.834 4 HA MET 1 HA MET 1 -8.301 0.261 -3.715 5 HB2 MET 1 1HB MET 1 -8.393 -1.223 -5.990 6 HB3 MET 1 2HB MET 1 -7.598 -2.358 -4.909 7 HG2 MET 1 1HG MET 1 -9.673 -1.452 -3.371 8 HG3 MET 1 2HG MET 1 -10.374 -1.466 -4.989 9 HE1 MET 1 3HE MET 1 -10.135 -3.161 -6.558 10 HE2 MET 1 1HE MET 1 -11.097 -4.550 -6.051 11 HE3 MET 1 2HE MET 1 -9.365 -4.732 -6.327 12 H ASN 2 H ASN 2 -7.968 -1.911 -2.280 13 HA ASN 2 HA ASN 2 -5.400 -1.513 -1.006 14 HB2 ASN 2 1HB ASN 2 -7.993 -2.725 -0.248 15 HB3 ASN 2 2HB ASN 2 -6.569 -3.470 0.468 16 HD21 ASN 2 2HD2 ASN 2 -8.801 -0.994 0.727 17 HD22 ASN 2 1HD2 ASN 2 -7.986 -0.031 1.905 18 H VAL 3 H VAL 3 -3.839 -3.057 -0.660 19 HA VAL 3 HA VAL 3 -4.048 -5.550 -2.217 20 HB VAL 3 HB VAL 3 -1.545 -3.870 -1.960 21 HG11 VAL 3 1HG1 VAL 3 -1.768 -6.548 -2.491 22 HG12 VAL 3 2HG1 VAL 3 -0.420 -5.519 -2.969 23 HG13 VAL 3 3HG1 VAL 3 -1.725 -5.843 -4.107 24 HG21 VAL 3 3HG2 VAL 3 -3.494 -4.108 -4.247 25 HG22 VAL 3 1HG2 VAL 3 -1.880 -3.409 -4.389 26 HG23 VAL 3 2HG2 VAL 3 -3.080 -2.655 -3.338 27 H THR 4 H THR 4 -3.232 -7.376 -1.248 28 HA THR 4 HA THR 4 -2.812 -7.264 1.585 29 HB THR 4 HB THR 4 -2.195 -9.733 0.016 30 HG1 THR 4 HG1 THR 4 -4.269 -10.089 -0.484 31 HG21 THR 4 3HG2 THR 4 -2.424 -9.356 2.650 32 HG22 THR 4 1HG2 THR 4 -2.836 -10.871 1.847 33 HG23 THR 4 2HG2 THR 4 -4.106 -9.718 2.259 34 H VAL 5 H VAL 5 -0.972 -6.659 2.465 35 HA VAL 5 HA VAL 5 1.556 -7.411 1.147 36 HB VAL 5 HB VAL 5 2.581 -5.436 2.217 37 HG11 VAL 5 1HG1 VAL 5 1.447 -5.460 -0.095 38 HG12 VAL 5 2HG1 VAL 5 1.867 -3.904 0.620 39 HG13 VAL 5 3HG1 VAL 5 0.199 -4.479 0.671 40 HG21 VAL 5 3HG2 VAL 5 1.024 -5.236 4.114 41 HG22 VAL 5 1HG2 VAL 5 -0.237 -4.697 3.007 42 HG23 VAL 5 2HG2 VAL 5 1.208 -3.716 3.242 43 H GLU 6 H GLU 6 3.110 -8.412 2.330 44 HA GLU 6 HA GLU 6 2.344 -9.468 4.910 45 HB2 GLU 6 1HB GLU 6 3.521 -10.806 3.121 46 HB3 GLU 6 2HB GLU 6 4.964 -9.859 3.451 47 HG2 GLU 6 1HG GLU 6 5.246 -11.832 4.662 48 HG3 GLU 6 2HG GLU 6 4.738 -10.640 5.859 49 H VAL 7 H VAL 7 2.671 -8.367 6.717 50 HA VAL 7 HA VAL 7 4.701 -6.283 6.830 51 HB VAL 7 HB VAL 7 2.834 -7.042 9.071 52 HG11 VAL 7 1HG1 VAL 7 4.215 -4.463 8.332 53 HG12 VAL 7 2HG1 VAL 7 4.641 -5.539 9.662 54 HG13 VAL 7 3HG1 VAL 7 3.103 -4.676 9.685 55 HG21 VAL 7 3HG2 VAL 7 1.147 -6.574 7.657 56 HG22 VAL 7 1HG2 VAL 7 2.201 -5.756 6.504 57 HG23 VAL 7 2HG2 VAL 7 1.621 -4.898 7.931 58 H VAL 8 H VAL 8 6.568 -6.409 7.928 59 HA VAL 8 HA VAL 8 7.472 -8.946 8.876 60 HB VAL 8 HB VAL 8 8.828 -6.279 9.296 61 HG11 VAL 8 1HG1 VAL 8 10.671 -7.410 9.933 62 HG12 VAL 8 2HG1 VAL 8 10.380 -8.737 8.810 63 HG13 VAL 8 3HG1 VAL 8 9.509 -8.670 10.341 64 HG21 VAL 8 3HG2 VAL 8 8.724 -6.186 7.031 65 HG22 VAL 8 1HG2 VAL 8 8.512 -7.929 6.855 66 HG23 VAL 8 2HG2 VAL 8 10.115 -7.262 7.168 67 H GLY 9 H GLY 9 7.139 -9.797 10.822 68 HA2 GLY 9 1HA GLY 9 7.117 -9.908 13.150 69 HA3 GLY 9 2HA GLY 9 7.244 -8.150 13.212 70 H GLU 10 H GLU 10 5.134 -7.162 12.022 71 HA GLU 10 HA GLU 10 2.956 -7.863 13.759 72 HB2 GLU 10 1HB GLU 10 3.350 -5.782 11.621 73 HB3 GLU 10 2HB GLU 10 1.777 -6.040 12.363 74 HG2 GLU 10 1HG GLU 10 4.174 -5.573 14.077 75 HG3 GLU 10 2HG GLU 10 3.367 -4.218 13.293 76 H GLU 11 H GLU 11 0.725 -8.175 12.909 77 HA GLU 11 HA GLU 11 0.542 -10.460 11.308 78 HB2 GLU 11 1HB GLU 11 -1.170 -9.097 12.951 79 HB3 GLU 11 2HB GLU 11 -1.874 -8.774 11.374 80 HG2 GLU 11 1HG GLU 11 -2.396 -10.979 11.002 81 HG3 GLU 11 2HG GLU 11 -1.147 -11.573 12.096 82 H THR 12 H THR 12 -1.342 -10.282 9.417 83 HA THR 12 HA THR 12 -0.039 -8.649 7.361 84 HB THR 12 HB THR 12 -2.119 -10.743 6.802 85 HG1 THR 12 HG1 THR 12 -0.709 -12.322 7.080 86 HG21 THR 12 3HG2 THR 12 -1.000 -9.177 5.048 87 HG22 THR 12 1HG2 THR 12 -1.226 -10.892 4.702 88 HG23 THR 12 2HG2 THR 12 0.354 -10.294 5.211 89 H SER 13 H SER 13 -1.017 -6.991 6.384 90 HA SER 13 HA SER 13 -3.920 -6.669 6.648 91 HB2 SER 13 1HB SER 13 -2.239 -4.217 6.957 92 HB3 SER 13 2HB SER 13 -3.838 -4.575 7.609 93 HG SER 13 HG SER 13 -2.095 -4.558 9.178 94 H GLU 14 H GLU 14 -4.809 -5.026 5.156 95 HA GLU 14 HA GLU 14 -3.420 -5.167 2.588 96 HB2 GLU 14 1HB GLU 14 -6.219 -4.150 3.071 97 HB3 GLU 14 2HB GLU 14 -5.514 -4.688 1.554 98 HG2 GLU 14 1HG GLU 14 -5.483 -6.964 2.308 99 HG3 GLU 14 2HG GLU 14 -6.008 -6.480 3.920 100 H VAL 15 H VAL 15 -2.767 -3.412 1.434 101 HA VAL 15 HA VAL 15 -3.234 -0.750 2.597 102 HB VAL 15 HB VAL 15 -0.908 -0.114 2.126 103 HG11 VAL 15 1HG1 VAL 15 -1.427 -2.407 3.987 104 HG12 VAL 15 2HG1 VAL 15 -1.265 -0.692 4.361 105 HG13 VAL 15 3HG1 VAL 15 0.155 -1.633 3.898 106 HG21 VAL 15 3HG2 VAL 15 -0.808 -2.856 1.019 107 HG22 VAL 15 1HG2 VAL 15 0.610 -2.312 1.913 108 HG23 VAL 15 2HG2 VAL 15 0.044 -1.398 0.517 109 H ALA 16 H ALA 16 -3.246 0.989 1.133 110 HA ALA 16 HA ALA 16 -3.964 0.242 -1.568 111 HB1 ALA 16 3HB ALA 16 -5.077 2.208 -1.689 112 HB2 ALA 16 1HB ALA 16 -3.820 3.099 -0.832 113 HB3 ALA 16 2HB ALA 16 -4.967 2.108 0.069 114 H VAL 17 H VAL 17 -2.725 0.393 -3.311 115 HA VAL 17 HA VAL 17 -0.149 1.815 -3.089 116 HB VAL 17 HB VAL 17 0.608 0.234 -4.934 117 HG11 VAL 17 1HG1 VAL 17 1.648 -0.978 -3.347 118 HG12 VAL 17 2HG1 VAL 17 0.134 -1.475 -2.592 119 HG13 VAL 17 3HG1 VAL 17 0.821 0.108 -2.228 120 HG21 VAL 17 3HG2 VAL 17 -0.535 -1.931 -5.049 121 HG22 VAL 17 1HG2 VAL 17 -1.577 -0.615 -5.591 122 HG23 VAL 17 2HG2 VAL 17 -1.802 -1.315 -3.989 123 H ASP 18 H ASP 18 0.655 2.915 -4.903 124 HA ASP 18 HA ASP 18 -1.318 4.239 -6.477 125 HB2 ASP 18 1HB ASP 18 0.688 5.292 -7.599 126 HB3 ASP 18 2HB ASP 18 0.593 5.508 -5.855 127 H ASP 19 H ASP 19 0.543 1.378 -6.977 128 HA ASP 19 HA ASP 19 0.881 1.267 -9.716 129 HB2 ASP 19 1HB ASP 19 1.319 -0.473 -7.691 130 HB3 ASP 19 2HB ASP 19 -0.085 -1.230 -8.439 131 H ASP 20 H ASP 20 -2.006 0.524 -7.813 132 HA ASP 20 HA ASP 20 -3.631 -0.546 -9.789 133 HB2 ASP 20 1HB ASP 20 -4.015 -0.207 -7.225 134 HB3 ASP 20 2HB ASP 20 -4.752 1.313 -7.713 135 H GLY 21 H GLY 21 -3.147 2.866 -8.897 136 HA2 GLY 21 1HA GLY 21 -3.279 4.732 -10.283 137 HA3 GLY 21 2HA GLY 21 -3.836 3.693 -11.593 138 H THR 22 H THR 22 -5.426 3.633 -8.474 139 HA THR 22 HA THR 22 -7.851 4.655 -9.743 140 HB THR 22 HB THR 22 -8.701 3.925 -7.289 141 HG1 THR 22 HG1 THR 22 -6.639 2.058 -7.796 142 HG21 THR 22 3HG2 THR 22 -9.389 1.818 -8.181 143 HG22 THR 22 1HG2 THR 22 -8.169 1.907 -9.451 144 HG23 THR 22 2HG2 THR 22 -9.517 3.042 -9.445 145 H TYR 23 H TYR 23 -9.339 5.959 -8.240 146 HA TYR 23 HA TYR 23 -8.174 8.448 -7.726 147 HB2 TYR 23 1HB TYR 23 -10.791 7.311 -7.612 148 HB3 TYR 23 2HB TYR 23 -10.515 8.203 -6.120 149 HD1 TYR 23 HD2 TYR 23 -10.597 8.489 -9.805 150 HD2 TYR 23 HD1 TYR 23 -10.480 10.579 -6.101 151 HE1 TYR 23 HE2 TYR 23 -11.096 10.590 -10.980 152 HE2 TYR 23 HE1 TYR 23 -10.981 12.687 -7.267 153 HH TYR 23 HH TYR 23 -10.613 13.180 -10.417 154 H ALA 24 H ALA 24 -8.839 5.733 -5.569 155 HA ALA 24 HA ALA 24 -8.380 6.948 -3.101 156 HB1 ALA 24 3HB ALA 24 -8.000 4.751 -2.226 157 HB2 ALA 24 1HB ALA 24 -7.622 4.124 -3.831 158 HB3 ALA 24 2HB ALA 24 -9.264 4.644 -3.452 159 H ASP 25 H ASP 25 -6.114 5.732 -5.501 160 HA ASP 25 HA ASP 25 -3.791 5.870 -3.875 161 HB2 ASP 25 1HB ASP 25 -3.895 6.065 -6.889 162 HB3 ASP 25 2HB ASP 25 -2.532 5.557 -5.899 163 H LEU 26 H LEU 26 -5.299 8.125 -6.161 164 HA LEU 26 HA LEU 26 -3.300 10.102 -6.096 165 HB2 LEU 26 1HB LEU 26 -5.255 9.922 -7.708 166 HB3 LEU 26 2HB LEU 26 -6.251 10.618 -6.444 167 HG LEU 26 HG LEU 26 -4.266 12.456 -6.551 168 HD11 LEU 26 1HD1 LEU 26 -4.678 11.957 -9.449 169 HD12 LEU 26 2HD1 LEU 26 -3.464 10.999 -8.601 170 HD13 LEU 26 3HD1 LEU 26 -3.348 12.758 -8.612 171 HD21 LEU 26 3HD2 LEU 26 -6.330 13.383 -6.628 172 HD22 LEU 26 1HD2 LEU 26 -6.942 12.203 -7.786 173 HD23 LEU 26 2HD2 LEU 26 -5.928 13.536 -8.337 174 H VAL 27 H VAL 27 -6.203 9.623 -4.109 175 HA VAL 27 HA VAL 27 -5.829 11.979 -2.550 176 HB VAL 27 HB VAL 27 -8.022 10.812 -2.831 177 HG11 VAL 27 1HG1 VAL 27 -7.394 8.524 -2.574 178 HG12 VAL 27 2HG1 VAL 27 -8.531 8.935 -1.294 179 HG13 VAL 27 3HG1 VAL 27 -6.809 8.813 -0.936 180 HG21 VAL 27 3HG2 VAL 27 -7.158 12.339 -0.794 181 HG22 VAL 27 1HG2 VAL 27 -7.643 10.895 0.096 182 HG23 VAL 27 2HG2 VAL 27 -8.810 11.735 -0.924 183 H ARG 28 H ARG 28 -4.924 8.576 -2.119 184 HA ARG 28 HA ARG 28 -3.954 8.842 0.535 185 HB2 ARG 28 1HB ARG 28 -4.478 6.707 -0.961 186 HB3 ARG 28 2HB ARG 28 -2.757 6.818 -1.299 187 HG2 ARG 28 1HG ARG 28 -2.747 7.047 1.392 188 HG3 ARG 28 2HG ARG 28 -4.160 6.020 1.155 189 HD2 ARG 28 1HD ARG 28 -2.531 4.721 -0.458 190 HD3 ARG 28 2HD ARG 28 -1.292 5.490 0.535 191 HE ARG 28 HE ARG 28 -3.377 4.112 2.000 192 HH11 ARG 28 1HH1 ARG 28 -0.196 3.852 0.553 193 HH12 ARG 28 2HH1 ARG 28 0.287 2.528 1.556 194 HH21 ARG 28 1HH2 ARG 28 -2.734 2.366 3.318 195 HH22 ARG 28 2HH2 ARG 28 -1.153 1.684 3.127 196 H ALA 29 H ALA 29 -2.475 9.265 -2.633 197 HA ALA 29 HA ALA 29 0.216 9.321 -1.969 198 HB1 ALA 29 3HB ALA 29 -1.421 10.506 -4.135 199 HB2 ALA 29 1HB ALA 29 -0.037 9.416 -4.222 200 HB3 ALA 29 2HB ALA 29 0.211 11.136 -3.918 201 H VAL 30 H VAL 30 -2.247 11.679 -1.261 202 HA VAL 30 HA VAL 30 -0.316 13.759 -0.618 203 HB VAL 30 HB VAL 30 -3.290 13.852 -0.120 204 HG11 VAL 30 1HG1 VAL 30 -2.043 16.316 -0.921 205 HG12 VAL 30 2HG1 VAL 30 -1.201 15.622 0.465 206 HG13 VAL 30 3HG1 VAL 30 -2.933 15.938 0.554 207 HG21 VAL 30 3HG2 VAL 30 -3.584 14.843 -2.302 208 HG22 VAL 30 1HG2 VAL 30 -2.835 13.256 -2.482 209 HG23 VAL 30 2HG2 VAL 30 -1.855 14.715 -2.631 210 H ASP 31 H ASP 31 -0.508 11.144 0.912 211 HA ASP 31 HA ASP 31 -0.265 10.416 3.035 212 HB2 ASP 31 1HB ASP 31 1.024 12.782 3.013 213 HB3 ASP 31 2HB ASP 31 -0.198 13.130 4.232 214 H LEU 32 H LEU 32 -2.822 10.401 2.196 215 HA LEU 32 HA LEU 32 -4.359 11.402 4.503 216 HB2 LEU 32 1HB LEU 32 -4.962 11.209 1.614 217 HB3 LEU 32 2HB LEU 32 -6.274 10.794 2.697 218 HG LEU 32 HG LEU 32 -5.471 13.131 3.802 219 HD11 LEU 32 1HD1 LEU 32 -5.070 14.736 2.006 220 HD12 LEU 32 2HD1 LEU 32 -5.013 13.417 0.837 221 HD13 LEU 32 3HD1 LEU 32 -3.783 13.535 2.093 222 HD21 LEU 32 3HD2 LEU 32 -7.753 12.461 3.173 223 HD22 LEU 32 1HD2 LEU 32 -7.390 12.852 1.493 224 HD23 LEU 32 2HD2 LEU 32 -7.393 14.125 2.712 225 H SER 33 H SER 33 -2.828 8.929 4.477 226 HA SER 33 HA SER 33 -5.009 6.955 4.624 227 HB2 SER 33 1HB SER 33 -2.835 5.372 4.626 228 HB3 SER 33 2HB SER 33 -3.625 5.900 3.142 229 HG SER 33 HG SER 33 -1.241 6.193 3.357 230 HA PRO 34 HA PRO 34 -4.297 6.834 8.999 231 HB2 PRO 34 1HB PRO 34 -5.576 4.531 9.595 232 HB3 PRO 34 2HB PRO 34 -6.442 6.003 9.138 233 HG2 PRO 34 1HG PRO 34 -5.764 3.608 7.476 234 HG3 PRO 34 2HG PRO 34 -7.273 4.535 7.540 235 HD2 PRO 34 1HD PRO 34 -5.403 4.856 5.583 236 HD3 PRO 34 2HD PRO 34 -6.484 6.157 6.121 237 H HIS 35 H HIS 35 -3.508 4.003 7.016 238 HA HIS 35 HA HIS 35 -1.856 2.796 9.039 239 HB2 HIS 35 1HB HIS 35 -2.625 2.155 6.238 240 HB3 HIS 35 2HB HIS 35 -1.109 1.481 6.825 241 HD1 HIS 35 HD1 HIS 35 -1.254 -0.275 8.734 242 HD2 HIS 35 HD2 HIS 35 -4.937 1.049 7.340 243 HE1 HIS 35 HE1 HIS 35 -2.942 -1.899 9.649 244 HE2 HIS 35 HE2 HIS 35 -5.173 -1.009 8.888 245 H GLU 36 H GLU 36 -1.295 4.643 6.058 246 HA GLU 36 HA GLU 36 0.568 5.592 5.157 247 HB2 GLU 36 1HB GLU 36 0.175 6.590 7.691 248 HB3 GLU 36 2HB GLU 36 1.868 6.120 7.732 249 HG2 GLU 36 1HG GLU 36 1.104 7.581 5.320 250 HG3 GLU 36 2HG GLU 36 0.905 8.496 6.814 251 H VAL 37 H VAL 37 1.162 3.368 4.472 252 HA VAL 37 HA VAL 37 3.727 2.561 5.692 253 HB VAL 37 HB VAL 37 3.233 0.240 4.910 254 HG11 VAL 37 1HG1 VAL 37 2.844 1.079 7.254 255 HG12 VAL 37 2HG1 VAL 37 1.914 -0.346 6.790 256 HG13 VAL 37 3HG1 VAL 37 1.140 1.240 6.830 257 HG21 VAL 37 3HG2 VAL 37 1.499 -0.172 3.584 258 HG22 VAL 37 1HG2 VAL 37 1.046 1.531 3.646 259 HG23 VAL 37 2HG2 VAL 37 0.392 0.402 4.831 260 H THR 38 H THR 38 5.380 1.918 4.321 261 HA THR 38 HA THR 38 5.107 2.851 1.559 262 HB THR 38 HB THR 38 7.752 1.996 2.623 263 HG1 THR 38 HG1 THR 38 7.357 3.136 4.374 264 HG21 THR 38 3HG2 THR 38 7.973 4.551 1.651 265 HG22 THR 38 1HG2 THR 38 6.730 3.837 0.622 266 HG23 THR 38 2HG2 THR 38 8.310 3.066 0.761 267 H VAL 39 H VAL 39 5.387 1.559 -0.189 268 HA VAL 39 HA VAL 39 5.302 -1.305 0.267 269 HB VAL 39 HB VAL 39 4.802 -1.511 -2.108 270 HG11 VAL 39 1HG1 VAL 39 2.769 -1.211 -1.205 271 HG12 VAL 39 2HG1 VAL 39 2.832 0.355 -2.014 272 HG13 VAL 39 3HG1 VAL 39 3.264 0.225 -0.310 273 HG21 VAL 39 3HG2 VAL 39 5.924 0.023 -3.358 274 HG22 VAL 39 1HG2 VAL 39 5.711 1.313 -2.175 275 HG23 VAL 39 2HG2 VAL 39 4.379 0.866 -3.238 276 H LEU 40 H LEU 40 6.916 -2.718 -0.083 277 HA LEU 40 HA LEU 40 9.408 -1.672 -1.254 278 HB2 LEU 40 1HB LEU 40 8.851 -3.472 1.039 279 HB3 LEU 40 2HB LEU 40 10.259 -3.846 0.062 280 HG LEU 40 HG LEU 40 10.030 -1.027 0.896 281 HD11 LEU 40 1HD1 LEU 40 11.167 -1.932 3.135 282 HD12 LEU 40 2HD1 LEU 40 10.030 -3.249 2.843 283 HD13 LEU 40 3HD1 LEU 40 9.442 -1.595 3.003 284 HD21 LEU 40 3HD2 LEU 40 12.431 -1.349 1.307 285 HD22 LEU 40 1HD2 LEU 40 11.964 -1.850 -0.318 286 HD23 LEU 40 2HD2 LEU 40 12.257 -3.062 0.929 287 H VAL 41 H VAL 41 10.579 -2.950 -2.684 288 HA VAL 41 HA VAL 41 9.099 -5.202 -3.871 289 HB VAL 41 HB VAL 41 11.219 -3.732 -5.395 290 HG11 VAL 41 1HG1 VAL 41 9.971 -5.880 -6.105 291 HG12 VAL 41 2HG1 VAL 41 10.165 -4.578 -7.279 292 HG13 VAL 41 3HG1 VAL 41 8.626 -4.793 -6.447 293 HG21 VAL 41 3HG2 VAL 41 8.583 -2.633 -4.616 294 HG22 VAL 41 1HG2 VAL 41 9.058 -2.439 -6.303 295 HG23 VAL 41 2HG2 VAL 41 10.085 -1.803 -5.020 296 H ASP 42 H ASP 42 10.018 -7.108 -3.456 297 HA ASP 42 HA ASP 42 12.430 -7.480 -2.153 298 HB2 ASP 42 1HB ASP 42 10.713 -9.201 -2.185 299 HB3 ASP 42 2HB ASP 42 10.882 -9.379 -3.927 300 H GLY 43 H GLY 43 14.401 -7.195 -2.785 301 HA2 GLY 43 1HA GLY 43 16.063 -6.475 -4.252 302 HA3 GLY 43 2HA GLY 43 15.997 -8.196 -4.569 303 H ARG 44 H ARG 44 13.761 -5.591 -5.569 304 HA ARG 44 HA ARG 44 14.536 -6.104 -8.356 305 HB2 ARG 44 1HB ARG 44 12.486 -7.366 -7.876 306 HB3 ARG 44 2HB ARG 44 11.704 -5.892 -7.324 307 HG2 ARG 44 1HG ARG 44 10.930 -6.328 -9.519 308 HG3 ARG 44 2HG ARG 44 12.036 -4.957 -9.621 309 HD2 ARG 44 1HD ARG 44 12.859 -6.169 -11.348 310 HD3 ARG 44 2HD ARG 44 13.785 -6.917 -10.049 311 HE ARG 44 HE ARG 44 11.548 -8.440 -10.176 312 HH11 ARG 44 1HH1 ARG 44 13.890 -7.424 -12.573 313 HH12 ARG 44 2HH1 ARG 44 13.690 -8.840 -13.548 314 HH21 ARG 44 1HH2 ARG 44 11.295 -10.311 -11.464 315 HH22 ARG 44 2HH2 ARG 44 12.217 -10.477 -12.921 316 HA PRO 45 HA PRO 45 14.756 -1.638 -8.252 317 HB2 PRO 45 1HB PRO 45 15.429 -1.276 -10.863 318 HB3 PRO 45 2HB PRO 45 16.586 -1.803 -9.635 319 HG2 PRO 45 1HG PRO 45 15.122 -3.413 -11.680 320 HG3 PRO 45 2HG PRO 45 16.798 -3.560 -11.125 321 HD2 PRO 45 1HD PRO 45 14.788 -5.196 -10.275 322 HD3 PRO 45 2HD PRO 45 16.214 -4.812 -9.293 323 H VAL 46 H VAL 46 13.189 -3.227 -11.038 324 HA VAL 46 HA VAL 46 10.773 -1.688 -10.660 325 HB VAL 46 HB VAL 46 10.734 -0.928 -13.069 326 HG11 VAL 46 1HG1 VAL 46 11.880 1.114 -12.648 327 HG12 VAL 46 2HG1 VAL 46 12.934 0.347 -11.459 328 HG13 VAL 46 3HG1 VAL 46 11.218 0.557 -11.111 329 HG21 VAL 46 3HG2 VAL 46 13.440 -2.095 -12.964 330 HG22 VAL 46 1HG2 VAL 46 13.311 -0.533 -13.774 331 HG23 VAL 46 2HG2 VAL 46 12.340 -1.897 -14.328 332 HA PRO 47 HA PRO 47 8.950 -5.380 -12.284 333 HB2 PRO 47 1HB PRO 47 6.881 -3.743 -13.606 334 HB3 PRO 47 2HB PRO 47 6.714 -4.931 -12.311 335 HG2 PRO 47 1HG PRO 47 6.430 -2.310 -11.846 336 HG3 PRO 47 2HG PRO 47 7.183 -3.387 -10.655 337 HD2 PRO 47 1HD PRO 47 8.482 -1.505 -12.598 338 HD3 PRO 47 2HD PRO 47 8.867 -1.799 -10.889 339 H GLU 48 H GLU 48 10.877 -5.431 -13.781 340 HA GLU 48 HA GLU 48 10.661 -4.506 -16.454 341 HB2 GLU 48 1HB GLU 48 12.378 -6.808 -15.535 342 HB3 GLU 48 2HB GLU 48 12.660 -5.717 -16.885 343 HG2 GLU 48 1HG GLU 48 12.520 -4.031 -14.705 344 HG3 GLU 48 2HG GLU 48 13.370 -5.445 -14.089 345 H ASP 49 H ASP 49 9.403 -7.294 -14.833 346 HA ASP 49 HA ASP 49 9.019 -8.820 -17.262 347 HB2 ASP 49 1HB ASP 49 9.413 -9.641 -14.758 348 HB3 ASP 49 2HB ASP 49 7.655 -9.570 -14.715 349 H GLN 50 H GLN 50 7.508 -6.130 -16.253 350 HA GLN 50 HA GLN 50 5.525 -5.153 -16.737 351 HB2 GLN 50 1HB GLN 50 5.952 -6.784 -18.859 352 HB3 GLN 50 2HB GLN 50 4.425 -7.433 -18.274 353 HG2 GLN 50 1HG GLN 50 3.649 -4.974 -18.261 354 HG3 GLN 50 2HG GLN 50 5.042 -4.695 -19.302 355 HE21 GLN 50 2HE2 GLN 50 4.757 -4.941 -21.405 356 HE22 GLN 50 1HE2 GLN 50 3.437 -5.768 -22.155 357 H SER 51 H SER 51 4.619 -5.101 -14.747 358 HA SER 51 HA SER 51 3.155 -7.426 -13.761 359 HB2 SER 51 1HB SER 51 3.737 -4.764 -12.440 360 HB3 SER 51 2HB SER 51 2.956 -6.142 -11.665 361 HG SER 51 HG SER 51 4.828 -7.172 -11.562 362 H VAL 52 H VAL 52 0.970 -7.260 -13.025 363 HA VAL 52 HA VAL 52 -0.726 -5.889 -14.850 364 HB VAL 52 HB VAL 52 -2.594 -6.782 -13.497 365 HG11 VAL 52 1HG1 VAL 52 -0.753 -9.086 -13.729 366 HG12 VAL 52 2HG1 VAL 52 -1.034 -8.120 -15.176 367 HG13 VAL 52 3HG1 VAL 52 -2.391 -8.873 -14.343 368 HG21 VAL 52 3HG2 VAL 52 -1.841 -6.705 -11.275 369 HG22 VAL 52 1HG2 VAL 52 -0.373 -7.607 -11.648 370 HG23 VAL 52 2HG2 VAL 52 -1.936 -8.422 -11.657 371 H GLU 53 H GLU 53 -2.842 -4.889 -13.596 372 HA GLU 53 HA GLU 53 -2.169 -2.297 -12.945 373 HB2 GLU 53 1HB GLU 53 -4.461 -2.062 -12.052 374 HB3 GLU 53 2HB GLU 53 -4.425 -2.883 -13.605 375 HG2 GLU 53 1HG GLU 53 -4.478 -5.051 -12.220 376 HG3 GLU 53 2HG GLU 53 -4.985 -4.013 -10.888 377 H VAL 54 H VAL 54 -2.715 -5.019 -10.738 378 HA VAL 54 HA VAL 54 -1.717 -3.337 -8.534 379 HB VAL 54 HB VAL 54 -2.784 -4.903 -6.983 380 HG11 VAL 54 1HG1 VAL 54 -5.231 -4.479 -7.909 381 HG12 VAL 54 2HG1 VAL 54 -4.356 -3.442 -9.035 382 HG13 VAL 54 3HG1 VAL 54 -4.226 -3.166 -7.299 383 HG21 VAL 54 3HG2 VAL 54 -4.385 -6.590 -7.876 384 HG22 VAL 54 1HG2 VAL 54 -2.696 -6.948 -8.238 385 HG23 VAL 54 2HG2 VAL 54 -3.745 -6.281 -9.489 386 H ASP 55 H ASP 55 -0.398 -4.481 -6.887 387 HA ASP 55 HA ASP 55 0.998 -6.867 -7.795 388 HB2 ASP 55 1HB ASP 55 2.201 -4.897 -8.792 389 HB3 ASP 55 2HB ASP 55 2.533 -4.341 -7.156 390 H ARG 56 H ARG 56 2.271 -7.879 -6.136 391 HA ARG 56 HA ARG 56 1.294 -7.231 -3.452 392 HB2 ARG 56 1HB ARG 56 1.039 -9.551 -4.186 393 HB3 ARG 56 2HB ARG 56 2.766 -9.667 -4.496 394 HG2 ARG 56 1HG ARG 56 3.241 -9.422 -2.136 395 HG3 ARG 56 2HG ARG 56 1.526 -9.191 -1.790 396 HD2 ARG 56 1HD ARG 56 1.369 -11.523 -3.069 397 HD3 ARG 56 2HD ARG 56 3.022 -11.663 -2.469 398 HE ARG 56 HE ARG 56 0.603 -11.811 -0.933 399 HH11 ARG 56 1HH1 ARG 56 4.014 -11.022 -0.779 400 HH12 ARG 56 2HH1 ARG 56 4.141 -11.357 0.915 401 HH21 ARG 56 1HH2 ARG 56 0.776 -12.248 1.301 402 HH22 ARG 56 2HH2 ARG 56 2.302 -12.056 2.097 403 H VAL 57 H VAL 57 2.530 -6.233 -2.016 404 HA VAL 57 HA VAL 57 5.456 -6.365 -2.265 405 HB VAL 57 HB VAL 57 5.551 -3.931 -1.628 406 HG11 VAL 57 1HG1 VAL 57 5.238 -3.123 -3.892 407 HG12 VAL 57 2HG1 VAL 57 4.251 -4.532 -4.284 408 HG13 VAL 57 3HG1 VAL 57 5.965 -4.730 -3.919 409 HG21 VAL 57 3HG2 VAL 57 3.313 -2.784 -2.553 410 HG22 VAL 57 1HG2 VAL 57 3.555 -3.182 -0.853 411 HG23 VAL 57 2HG2 VAL 57 2.622 -4.262 -1.888 412 H LYS 58 H LYS 58 6.542 -5.477 -0.254 413 HA LYS 58 HA LYS 58 5.007 -6.328 2.114 414 HB2 LYS 58 1HB LYS 58 7.387 -6.501 3.128 415 HB3 LYS 58 2HB LYS 58 6.838 -7.756 2.026 416 HG2 LYS 58 1HG LYS 58 8.075 -6.710 0.204 417 HG3 LYS 58 2HG LYS 58 8.613 -5.434 1.297 418 HD2 LYS 58 1HD LYS 58 10.394 -6.995 1.132 419 HD3 LYS 58 2HD LYS 58 9.651 -7.242 2.714 420 HE2 LYS 58 1HE LYS 58 8.509 -8.867 0.549 421 HE3 LYS 58 2HE LYS 58 10.198 -9.217 0.914 422 HZ1 LYS 58 3HZ LYS 58 9.673 -9.787 3.106 423 HZ2 LYS 58 1HZ LYS 58 8.446 -10.504 2.189 424 HZ3 LYS 58 2HZ LYS 58 8.141 -9.075 3.040 425 H VAL 59 H VAL 59 4.880 -5.032 3.904 426 HA VAL 59 HA VAL 59 5.743 -2.256 3.513 427 HB VAL 59 HB VAL 59 4.158 -1.775 5.436 428 HG11 VAL 59 1HG1 VAL 59 2.124 -2.020 3.970 429 HG12 VAL 59 2HG1 VAL 59 3.159 -2.861 2.815 430 HG13 VAL 59 3HG1 VAL 59 3.496 -1.183 3.242 431 HG21 VAL 59 3HG2 VAL 59 4.125 -4.284 6.076 432 HG22 VAL 59 1HG2 VAL 59 2.897 -4.420 4.816 433 HG23 VAL 59 2HG2 VAL 59 2.634 -3.351 6.194 434 H LEU 60 H LEU 60 6.985 -1.171 4.963 435 HA LEU 60 HA LEU 60 8.180 -2.788 7.120 436 HB2 LEU 60 1HB LEU 60 9.401 -1.426 4.981 437 HB3 LEU 60 2HB LEU 60 9.746 -0.471 6.411 438 HG LEU 60 HG LEU 60 11.539 -2.051 5.985 439 HD11 LEU 60 1HD1 LEU 60 10.431 -1.556 8.375 440 HD12 LEU 60 2HD1 LEU 60 11.870 -2.549 8.158 441 HD13 LEU 60 3HD1 LEU 60 10.291 -3.313 8.340 442 HD21 LEU 60 3HD2 LEU 60 9.331 -4.086 6.079 443 HD22 LEU 60 1HD2 LEU 60 11.022 -4.516 6.348 444 HD23 LEU 60 2HD2 LEU 60 10.524 -3.814 4.809 445 H ARG 61 H ARG 61 7.860 -2.129 9.141 446 HA ARG 61 HA ARG 61 7.374 0.708 9.678 447 HB2 ARG 61 1HB ARG 61 5.293 -1.100 9.570 448 HB3 ARG 61 2HB ARG 61 5.675 -1.057 11.285 449 HG2 ARG 61 1HG ARG 61 5.660 1.614 10.447 450 HG3 ARG 61 2HG ARG 61 4.262 0.855 9.683 451 HD2 ARG 61 1HD ARG 61 3.417 0.121 11.788 452 HD3 ARG 61 2HD ARG 61 4.905 0.584 12.612 453 HE ARG 61 HE ARG 61 3.819 2.866 11.409 454 HH11 ARG 61 1HH1 ARG 61 3.068 0.627 13.995 455 HH12 ARG 61 2HH1 ARG 61 2.193 1.798 14.923 456 HH21 ARG 61 1HH2 ARG 61 2.665 4.409 12.639 457 HH22 ARG 61 2HH2 ARG 61 1.965 3.944 14.154 458 H LEU 62 H LEU 62 9.757 -0.443 10.131 459 HA LEU 62 HA LEU 62 10.018 -0.224 12.990 460 HB2 LEU 62 1HB LEU 62 11.359 -2.412 13.086 461 HB3 LEU 62 2HB LEU 62 9.611 -2.504 13.117 462 HG LEU 62 HG LEU 62 10.437 -2.681 10.396 463 HD11 LEU 62 1HD1 LEU 62 12.610 -3.382 11.598 464 HD12 LEU 62 2HD1 LEU 62 11.975 -4.412 10.315 465 HD13 LEU 62 3HD1 LEU 62 11.723 -4.851 12.003 466 HD21 LEU 62 3HD2 LEU 62 8.986 -4.309 12.400 467 HD22 LEU 62 1HD2 LEU 62 9.575 -5.141 10.960 468 HD23 LEU 62 2HD2 LEU 62 8.484 -3.765 10.800 469 H ILE 63 H ILE 63 11.707 -1.192 10.003 470 HA ILE 63 HA ILE 63 13.895 0.624 10.744 471 HB ILE 63 HB ILE 63 14.606 -1.707 11.152 472 HG12 ILE 63 1HG1 ILE 63 16.079 -0.743 8.714 473 HG13 ILE 63 2HG1 ILE 63 16.118 0.183 10.211 474 HG21 ILE 63 1HG2 ILE 63 13.263 -2.898 9.567 475 HG22 ILE 63 2HG2 ILE 63 14.959 -3.205 9.198 476 HG23 ILE 63 3HG2 ILE 63 14.036 -2.070 8.215 477 HD11 ILE 63 3HD1 ILE 63 16.825 -2.718 10.192 478 HD12 ILE 63 1HD1 ILE 63 17.283 -1.464 11.343 479 HD13 ILE 63 2HD1 ILE 63 18.003 -1.489 9.734 480 H LYS 64 H LYS 64 15.068 1.531 8.950 481 HA LYS 64 HA LYS 64 15.245 2.536 6.920 482 HB2 LYS 64 1HB LYS 64 15.293 0.055 6.249 483 HB3 LYS 64 2HB LYS 64 13.622 0.282 5.754 484 HG2 LYS 64 1HG LYS 64 14.181 1.652 3.995 485 HG3 LYS 64 2HG LYS 64 15.712 2.139 4.722 486 HD2 LYS 64 1HD LYS 64 16.333 0.724 2.965 487 HD3 LYS 64 2HD LYS 64 16.427 -0.299 4.399 488 HE2 LYS 64 1HE LYS 64 14.450 -1.431 3.862 489 HE3 LYS 64 2HE LYS 64 13.937 -0.182 2.729 490 HZ1 LYS 64 3HZ LYS 64 16.257 -1.992 2.323 491 HZ2 LYS 64 1HZ LYS 64 15.677 -0.845 1.222 492 HZ3 LYS 64 2HZ LYS 64 14.736 -2.194 1.614 493 H GLY 65 H GLY 65 13.094 3.318 8.607 494 HA2 GLY 65 1HA GLY 65 10.772 3.679 6.893 495 HA3 GLY 65 2HA GLY 65 10.924 4.191 8.565 496 H GLY 66 H GLY 66 10.000 5.619 6.109 497 HA2 GLY 66 1HA GLY 66 10.096 8.061 6.102 498 HA3 GLY 66 2HA GLY 66 11.833 7.928 6.330 Start of MODEL 8 1 H1 MET 1 1H MET 1 -8.654 -2.305 -3.723 2 H2 MET 1 2H MET 1 -7.795 -2.242 -5.207 3 H3 MET 1 3H MET 1 -9.368 -1.567 -5.096 4 HA MET 1 HA MET 1 -7.678 0.110 -5.101 5 HB2 MET 1 1HB MET 1 -9.545 -0.382 -2.839 6 HB3 MET 1 2HB MET 1 -8.379 0.917 -2.623 7 HG2 MET 1 1HG MET 1 -9.350 2.240 -4.174 8 HG3 MET 1 2HG MET 1 -9.851 0.882 -5.180 9 HE1 MET 1 3HE MET 1 -12.677 3.139 -4.576 10 HE2 MET 1 1HE MET 1 -10.990 3.577 -4.309 11 HE3 MET 1 2HE MET 1 -12.132 3.606 -2.965 12 H ASN 2 H ASN 2 -7.548 -1.642 -1.983 13 HA ASN 2 HA ASN 2 -4.794 -0.791 -1.610 14 HB2 ASN 2 1HB ASN 2 -6.471 -2.499 0.236 15 HB3 ASN 2 2HB ASN 2 -5.004 -1.614 0.641 16 HD21 ASN 2 2HD2 ASN 2 -5.183 0.415 1.373 17 HD22 ASN 2 1HD2 ASN 2 -6.650 1.326 1.420 18 H VAL 3 H VAL 3 -3.057 -2.237 -1.323 19 HA VAL 3 HA VAL 3 -3.465 -4.841 -2.623 20 HB VAL 3 HB VAL 3 -1.028 -4.885 -2.976 21 HG11 VAL 3 1HG1 VAL 3 -0.921 -3.121 -4.673 22 HG12 VAL 3 2HG1 VAL 3 -2.367 -2.379 -3.986 23 HG13 VAL 3 3HG1 VAL 3 -2.460 -3.982 -4.715 24 HG21 VAL 3 3HG2 VAL 3 -1.088 -2.680 -1.115 25 HG22 VAL 3 1HG2 VAL 3 -0.245 -2.233 -2.598 26 HG23 VAL 3 2HG2 VAL 3 0.279 -3.641 -1.676 27 H THR 4 H THR 4 -2.894 -6.750 -1.654 28 HA THR 4 HA THR 4 -2.734 -6.738 1.208 29 HB THR 4 HB THR 4 -2.257 -9.164 -0.513 30 HG1 THR 4 HG1 THR 4 -4.752 -7.931 0.046 31 HG21 THR 4 3HG2 THR 4 -2.090 -9.630 1.812 32 HG22 THR 4 1HG2 THR 4 -3.638 -10.256 1.245 33 HG23 THR 4 2HG2 THR 4 -3.579 -8.746 2.154 34 H VAL 5 H VAL 5 -0.928 -6.306 2.260 35 HA VAL 5 HA VAL 5 1.637 -7.228 1.133 36 HB VAL 5 HB VAL 5 2.717 -5.373 2.335 37 HG11 VAL 5 1HG1 VAL 5 2.252 -3.767 0.741 38 HG12 VAL 5 2HG1 VAL 5 0.527 -4.138 0.720 39 HG13 VAL 5 3HG1 VAL 5 1.677 -5.239 -0.041 40 HG21 VAL 5 3HG2 VAL 5 1.206 -3.522 3.173 41 HG22 VAL 5 1HG2 VAL 5 1.278 -4.971 4.173 42 HG23 VAL 5 2HG2 VAL 5 -0.108 -4.694 3.120 43 H GLU 6 H GLU 6 2.955 -8.442 2.390 44 HA GLU 6 HA GLU 6 1.887 -9.386 4.913 45 HB2 GLU 6 1HB GLU 6 3.029 -10.789 3.027 46 HB3 GLU 6 2HB GLU 6 4.525 -10.259 3.786 47 HG2 GLU 6 1HG GLU 6 4.146 -12.278 4.815 48 HG3 GLU 6 2HG GLU 6 3.449 -11.143 5.968 49 H VAL 7 H VAL 7 2.311 -8.359 6.732 50 HA VAL 7 HA VAL 7 4.581 -6.577 6.966 51 HB VAL 7 HB VAL 7 2.642 -7.298 9.165 52 HG11 VAL 7 1HG1 VAL 7 3.789 -4.587 8.845 53 HG12 VAL 7 2HG1 VAL 7 4.887 -5.866 9.360 54 HG13 VAL 7 3HG1 VAL 7 3.444 -5.510 10.307 55 HG21 VAL 7 3HG2 VAL 7 1.945 -4.821 7.948 56 HG22 VAL 7 1HG2 VAL 7 0.973 -6.283 8.108 57 HG23 VAL 7 2HG2 VAL 7 2.003 -6.058 6.694 58 H VAL 8 H VAL 8 6.469 -7.022 7.965 59 HA VAL 8 HA VAL 8 7.075 -9.695 8.724 60 HB VAL 8 HB VAL 8 8.714 -7.235 9.360 61 HG11 VAL 8 1HG1 VAL 8 9.169 -9.630 10.349 62 HG12 VAL 8 2HG1 VAL 8 10.493 -8.623 9.768 63 HG13 VAL 8 3HG1 VAL 8 9.860 -9.918 8.752 64 HG21 VAL 8 3HG2 VAL 8 8.426 -8.805 6.822 65 HG22 VAL 8 1HG2 VAL 8 9.943 -7.992 7.211 66 HG23 VAL 8 2HG2 VAL 8 8.455 -7.056 7.056 67 H GLY 9 H GLY 9 6.617 -10.676 10.574 68 HA2 GLY 9 1HA GLY 9 6.567 -10.987 12.891 69 HA3 GLY 9 2HA GLY 9 6.829 -9.255 13.106 70 H GLU 10 H GLU 10 4.844 -7.999 11.980 71 HA GLU 10 HA GLU 10 2.572 -8.676 13.602 72 HB2 GLU 10 1HB GLU 10 3.600 -6.343 12.421 73 HB3 GLU 10 2HB GLU 10 2.032 -6.602 11.667 74 HG2 GLU 10 1HG GLU 10 1.440 -5.331 13.465 75 HG3 GLU 10 2HG GLU 10 1.232 -6.946 14.133 76 H GLU 11 H GLU 11 0.341 -8.713 12.695 77 HA GLU 11 HA GLU 11 -0.008 -10.814 10.883 78 HB2 GLU 11 1HB GLU 11 -1.965 -8.663 11.716 79 HB3 GLU 11 2HB GLU 11 -2.404 -10.134 10.864 80 HG2 GLU 11 1HG GLU 11 -0.949 -10.977 13.096 81 HG3 GLU 11 2HG GLU 11 -2.009 -9.694 13.675 82 H THR 12 H THR 12 -1.771 -10.342 8.961 83 HA THR 12 HA THR 12 -0.312 -8.586 7.122 84 HB THR 12 HB THR 12 -0.548 -10.906 6.410 85 HG1 THR 12 HG1 THR 12 -1.019 -10.394 4.401 86 HG21 THR 12 3HG2 THR 12 -3.516 -10.443 6.535 87 HG22 THR 12 1HG2 THR 12 -2.579 -11.596 7.481 88 HG23 THR 12 2HG2 THR 12 -2.735 -11.809 5.739 89 H SER 13 H SER 13 -1.186 -6.836 6.194 90 HA SER 13 HA SER 13 -4.066 -6.344 6.483 91 HB2 SER 13 1HB SER 13 -1.831 -4.538 7.402 92 HB3 SER 13 2HB SER 13 -3.441 -3.917 7.038 93 HG SER 13 HG SER 13 -4.215 -4.853 8.783 94 H GLU 14 H GLU 14 -4.866 -4.609 5.077 95 HA GLU 14 HA GLU 14 -3.490 -4.668 2.504 96 HB2 GLU 14 1HB GLU 14 -6.209 -3.501 3.114 97 HB3 GLU 14 2HB GLU 14 -5.559 -3.930 1.538 98 HG2 GLU 14 1HG GLU 14 -5.448 -6.325 2.478 99 HG3 GLU 14 2HG GLU 14 -6.548 -5.722 3.718 100 H VAL 15 H VAL 15 -2.654 -2.917 1.482 101 HA VAL 15 HA VAL 15 -2.941 -0.292 2.786 102 HB VAL 15 HB VAL 15 -0.768 -1.219 3.428 103 HG11 VAL 15 1HG1 VAL 15 -0.526 -2.665 1.390 104 HG12 VAL 15 2HG1 VAL 15 0.932 -1.799 1.873 105 HG13 VAL 15 3HG1 VAL 15 -0.027 -1.221 0.510 106 HG21 VAL 15 3HG2 VAL 15 -0.829 1.147 3.247 107 HG22 VAL 15 1HG2 VAL 15 -0.691 1.085 1.491 108 HG23 VAL 15 2HG2 VAL 15 0.678 0.619 2.497 109 H ALA 16 H ALA 16 -2.924 1.499 1.429 110 HA ALA 16 HA ALA 16 -3.616 0.947 -1.325 111 HB1 ALA 16 3HB ALA 16 -5.042 2.560 -0.620 112 HB2 ALA 16 1HB ALA 16 -3.754 3.611 -1.213 113 HB3 ALA 16 2HB ALA 16 -3.879 3.253 0.509 114 H VAL 17 H VAL 17 -2.282 1.076 -2.995 115 HA VAL 17 HA VAL 17 0.268 2.522 -2.651 116 HB VAL 17 HB VAL 17 1.194 0.906 -4.359 117 HG11 VAL 17 1HG1 VAL 17 1.618 0.811 -1.904 118 HG12 VAL 17 2HG1 VAL 17 1.748 -0.744 -2.724 119 HG13 VAL 17 3HG1 VAL 17 0.311 -0.367 -1.776 120 HG21 VAL 17 3HG2 VAL 17 -1.288 -0.659 -3.655 121 HG22 VAL 17 1HG2 VAL 17 0.068 -1.244 -4.618 122 HG23 VAL 17 2HG2 VAL 17 -0.939 0.071 -5.220 123 H ASP 18 H ASP 18 1.261 3.297 -4.642 124 HA ASP 18 HA ASP 18 -0.613 4.749 -6.238 125 HB2 ASP 18 1HB ASP 18 2.377 4.554 -6.113 126 HB3 ASP 18 2HB ASP 18 1.610 5.376 -7.467 127 H ASP 19 H ASP 19 1.448 1.938 -6.749 128 HA ASP 19 HA ASP 19 1.249 1.673 -9.520 129 HB2 ASP 19 1HB ASP 19 1.891 -0.111 -7.247 130 HB3 ASP 19 2HB ASP 19 1.354 -0.924 -8.714 131 H ASP 20 H ASP 20 -1.056 0.851 -7.010 132 HA ASP 20 HA ASP 20 -2.727 -0.913 -8.336 133 HB2 ASP 20 1HB ASP 20 -2.761 0.201 -5.892 134 HB3 ASP 20 2HB ASP 20 -4.040 1.145 -6.649 135 H GLY 21 H GLY 21 -2.905 2.660 -8.330 136 HA2 GLY 21 1HA GLY 21 -3.707 4.076 -9.975 137 HA3 GLY 21 2HA GLY 21 -4.012 2.667 -10.985 138 H THR 22 H THR 22 -5.377 2.859 -7.768 139 HA THR 22 HA THR 22 -8.043 3.050 -8.981 140 HB THR 22 HB THR 22 -8.615 2.402 -6.450 141 HG1 THR 22 HG1 THR 22 -6.236 0.957 -6.723 142 HG21 THR 22 3HG2 THR 22 -8.635 0.062 -7.054 143 HG22 THR 22 1HG2 THR 22 -7.576 0.387 -8.426 144 HG23 THR 22 2HG2 THR 22 -9.210 1.050 -8.398 145 H TYR 23 H TYR 23 -9.687 4.041 -7.237 146 HA TYR 23 HA TYR 23 -9.214 6.802 -7.173 147 HB2 TYR 23 1HB TYR 23 -11.302 4.982 -6.227 148 HB3 TYR 23 2HB TYR 23 -11.116 6.404 -5.207 149 HD1 TYR 23 HD1 TYR 23 -11.213 8.696 -6.332 150 HD2 TYR 23 HD2 TYR 23 -12.471 5.114 -8.256 151 HE1 TYR 23 HE1 TYR 23 -12.528 10.023 -7.933 152 HE2 TYR 23 HE2 TYR 23 -13.786 6.432 -9.861 153 HH TYR 23 HH TYR 23 -13.585 8.967 -10.767 154 H ALA 24 H ALA 24 -8.628 4.303 -4.763 155 HA ALA 24 HA ALA 24 -8.188 5.901 -2.511 156 HB1 ALA 24 3HB ALA 24 -6.639 3.393 -3.108 157 HB2 ALA 24 1HB ALA 24 -8.338 3.365 -2.634 158 HB3 ALA 24 2HB ALA 24 -7.126 4.031 -1.539 159 H ASP 25 H ASP 25 -6.079 5.078 -5.208 160 HA ASP 25 HA ASP 25 -3.640 5.978 -4.181 161 HB2 ASP 25 1HB ASP 25 -3.855 4.660 -6.263 162 HB3 ASP 25 2HB ASP 25 -4.587 6.048 -7.058 163 H LEU 26 H LEU 26 -6.261 7.745 -5.790 164 HA LEU 26 HA LEU 26 -4.938 10.186 -6.176 165 HB2 LEU 26 1HB LEU 26 -7.216 9.483 -7.058 166 HB3 LEU 26 2HB LEU 26 -7.856 9.908 -5.484 167 HG LEU 26 HG LEU 26 -6.575 12.205 -6.078 168 HD11 LEU 26 1HD1 LEU 26 -6.161 10.945 -8.393 169 HD12 LEU 26 2HD1 LEU 26 -6.402 12.688 -8.285 170 HD13 LEU 26 3HD1 LEU 26 -7.746 11.640 -8.735 171 HD21 LEU 26 3HD2 LEU 26 -8.893 12.863 -7.098 172 HD22 LEU 26 1HD2 LEU 26 -8.764 12.403 -5.400 173 HD23 LEU 26 2HD2 LEU 26 -9.350 11.239 -6.587 174 H VAL 27 H VAL 27 -6.816 8.996 -3.410 175 HA VAL 27 HA VAL 27 -6.511 11.365 -1.853 176 HB VAL 27 HB VAL 27 -7.106 8.587 -0.821 177 HG11 VAL 27 1HG1 VAL 27 -6.872 9.749 1.102 178 HG12 VAL 27 2HG1 VAL 27 -8.522 10.249 0.736 179 HG13 VAL 27 3HG1 VAL 27 -7.172 11.306 0.328 180 HG21 VAL 27 3HG2 VAL 27 -9.520 9.360 -0.989 181 HG22 VAL 27 1HG2 VAL 27 -8.725 8.939 -2.506 182 HG23 VAL 27 2HG2 VAL 27 -8.935 10.633 -2.059 183 H ARG 28 H ARG 28 -4.905 8.186 -1.811 184 HA ARG 28 HA ARG 28 -3.158 8.731 0.327 185 HB2 ARG 28 1HB ARG 28 -3.684 6.562 -1.367 186 HB3 ARG 28 2HB ARG 28 -1.986 6.936 -1.616 187 HG2 ARG 28 1HG ARG 28 -2.499 7.006 1.174 188 HG3 ARG 28 2HG ARG 28 -3.190 5.520 0.519 189 HD2 ARG 28 1HD ARG 28 -0.896 5.141 1.198 190 HD3 ARG 28 2HD ARG 28 -1.036 5.012 -0.555 191 HE ARG 28 HE ARG 28 -0.298 7.588 -0.196 192 HH11 ARG 28 1HH1 ARG 28 1.023 4.567 0.982 193 HH12 ARG 28 2HH1 ARG 28 2.651 5.155 1.027 194 HH21 ARG 28 1HH2 ARG 28 1.850 8.352 -0.146 195 HH22 ARG 28 2HH2 ARG 28 3.121 7.302 0.385 196 H ALA 29 H ALA 29 -2.873 9.335 -3.138 197 HA ALA 29 HA ALA 29 -0.156 9.903 -3.328 198 HB1 ALA 29 3HB ALA 29 -1.126 9.815 -5.388 199 HB2 ALA 29 1HB ALA 29 -1.050 11.565 -5.179 200 HB3 ALA 29 2HB ALA 29 -2.561 10.706 -4.878 201 H VAL 30 H VAL 30 -2.721 11.817 -1.942 202 HA VAL 30 HA VAL 30 -1.074 14.215 -1.829 203 HB VAL 30 HB VAL 30 -3.804 13.855 -0.593 204 HG11 VAL 30 1HG1 VAL 30 -2.021 16.156 -1.203 205 HG12 VAL 30 2HG1 VAL 30 -3.063 15.869 0.190 206 HG13 VAL 30 3HG1 VAL 30 -3.764 16.392 -1.341 207 HG21 VAL 30 3HG2 VAL 30 -3.041 14.144 -3.437 208 HG22 VAL 30 1HG2 VAL 30 -4.376 15.145 -2.869 209 HG23 VAL 30 2HG2 VAL 30 -4.461 13.391 -2.711 210 H ASP 31 H ASP 31 -0.435 11.667 -0.317 211 HA ASP 31 HA ASP 31 0.395 11.029 1.682 212 HB2 ASP 31 1HB ASP 31 0.668 14.001 1.775 213 HB3 ASP 31 2HB ASP 31 0.965 13.090 3.251 214 H LEU 32 H LEU 32 -2.269 10.711 1.540 215 HA LEU 32 HA LEU 32 -3.165 11.423 4.256 216 HB2 LEU 32 1HB LEU 32 -4.659 11.553 1.660 217 HB3 LEU 32 2HB LEU 32 -5.527 11.271 3.156 218 HG LEU 32 HG LEU 32 -3.722 13.538 3.378 219 HD11 LEU 32 1HD1 LEU 32 -4.007 14.340 1.299 220 HD12 LEU 32 2HD1 LEU 32 -5.589 14.825 1.906 221 HD13 LEU 32 3HD1 LEU 32 -5.417 13.331 0.985 222 HD21 LEU 32 3HD2 LEU 32 -5.479 13.083 4.973 223 HD22 LEU 32 1HD2 LEU 32 -6.700 13.176 3.704 224 HD23 LEU 32 2HD2 LEU 32 -5.796 14.619 4.167 225 H SER 33 H SER 33 -1.777 9.106 3.790 226 HA SER 33 HA SER 33 -3.636 6.931 3.341 227 HB2 SER 33 1HB SER 33 -1.116 6.997 2.701 228 HB3 SER 33 2HB SER 33 -0.839 6.589 4.396 229 HG SER 33 HG SER 33 -2.097 4.721 4.090 230 HA PRO 34 HA PRO 34 -4.767 6.705 7.650 231 HB2 PRO 34 1HB PRO 34 -6.175 4.394 7.536 232 HB3 PRO 34 2HB PRO 34 -6.802 5.924 6.914 233 HG2 PRO 34 1HG PRO 34 -5.551 3.648 5.431 234 HG3 PRO 34 2HG PRO 34 -6.971 4.618 5.001 235 HD2 PRO 34 1HD PRO 34 -4.512 5.025 3.918 236 HD3 PRO 34 2HD PRO 34 -5.697 6.328 4.144 237 H HIS 35 H HIS 35 -3.290 3.977 5.938 238 HA HIS 35 HA HIS 35 -2.528 2.616 8.361 239 HB2 HIS 35 1HB HIS 35 -2.195 2.128 5.439 240 HB3 HIS 35 2HB HIS 35 -1.050 1.355 6.530 241 HD1 HIS 35 HD1 HIS 35 -4.803 1.815 6.957 242 HD2 HIS 35 HD2 HIS 35 -1.954 -1.197 6.671 243 HE1 HIS 35 HE1 HIS 35 -6.050 -0.330 7.352 244 HE2 HIS 35 HE2 HIS 35 -4.297 -2.132 7.247 245 H GLU 36 H GLU 36 -0.913 4.622 5.927 246 HA GLU 36 HA GLU 36 1.081 5.695 5.886 247 HB2 GLU 36 1HB GLU 36 0.031 6.417 8.182 248 HB3 GLU 36 2HB GLU 36 1.325 5.438 8.859 249 HG2 GLU 36 1HG GLU 36 2.567 7.036 6.951 250 HG3 GLU 36 2HG GLU 36 1.411 8.097 7.754 251 H VAL 37 H VAL 37 1.528 3.314 5.062 252 HA VAL 37 HA VAL 37 3.910 2.371 6.528 253 HB VAL 37 HB VAL 37 3.389 0.080 5.552 254 HG11 VAL 37 1HG1 VAL 37 1.651 -0.399 7.330 255 HG12 VAL 37 2HG1 VAL 37 1.675 1.329 7.682 256 HG13 VAL 37 3HG1 VAL 37 3.141 0.371 7.880 257 HG21 VAL 37 3HG2 VAL 37 1.481 -0.357 4.452 258 HG22 VAL 37 1HG2 VAL 37 1.441 1.383 4.168 259 HG23 VAL 37 2HG2 VAL 37 0.520 0.686 5.500 260 H THR 38 H THR 38 5.678 1.718 5.305 261 HA THR 38 HA THR 38 5.794 2.829 2.624 262 HB THR 38 HB THR 38 8.062 1.394 3.986 263 HG1 THR 38 HG1 THR 38 7.154 4.031 4.507 264 HG21 THR 38 3HG2 THR 38 9.397 3.184 2.901 265 HG22 THR 38 1HG2 THR 38 7.930 3.714 2.079 266 HG23 THR 38 2HG2 THR 38 8.580 2.102 1.773 267 H VAL 39 H VAL 39 5.504 1.680 0.829 268 HA VAL 39 HA VAL 39 5.353 -1.227 1.000 269 HB VAL 39 HB VAL 39 4.369 -1.157 -1.232 270 HG11 VAL 39 1HG1 VAL 39 3.235 -0.212 1.104 271 HG12 VAL 39 2HG1 VAL 39 2.372 -0.709 -0.352 272 HG13 VAL 39 3HG1 VAL 39 2.775 0.990 -0.103 273 HG21 VAL 39 3HG2 VAL 39 5.182 0.505 -2.536 274 HG22 VAL 39 1HG2 VAL 39 5.366 1.624 -1.186 275 HG23 VAL 39 2HG2 VAL 39 3.780 1.379 -1.917 276 H LEU 40 H LEU 40 6.882 -2.573 0.287 277 HA LEU 40 HA LEU 40 9.028 -1.464 -1.404 278 HB2 LEU 40 1HB LEU 40 9.069 -3.203 0.988 279 HB3 LEU 40 2HB LEU 40 10.184 -3.640 -0.296 280 HG LEU 40 HG LEU 40 10.569 -0.911 -0.012 281 HD11 LEU 40 1HD1 LEU 40 11.072 -0.752 2.463 282 HD12 LEU 40 2HD1 LEU 40 10.050 -2.176 2.667 283 HD13 LEU 40 3HD1 LEU 40 9.371 -0.688 2.004 284 HD21 LEU 40 3HD2 LEU 40 12.267 -2.781 1.549 285 HD22 LEU 40 1HD2 LEU 40 12.723 -1.509 0.418 286 HD23 LEU 40 2HD2 LEU 40 12.117 -3.049 -0.187 287 H VAL 41 H VAL 41 9.498 -2.464 -3.273 288 HA VAL 41 HA VAL 41 7.968 -4.869 -3.964 289 HB VAL 41 HB VAL 41 9.484 -3.032 -5.836 290 HG11 VAL 41 1HG1 VAL 41 7.589 -4.190 -7.348 291 HG12 VAL 41 2HG1 VAL 41 7.875 -5.482 -6.182 292 HG13 VAL 41 3HG1 VAL 41 9.210 -4.850 -7.147 293 HG21 VAL 41 3HG2 VAL 41 7.399 -2.136 -4.477 294 HG22 VAL 41 1HG2 VAL 41 6.514 -3.028 -5.713 295 HG23 VAL 41 2HG2 VAL 41 7.628 -1.744 -6.181 296 H ASP 42 H ASP 42 9.039 -6.734 -3.827 297 HA ASP 42 HA ASP 42 11.736 -7.004 -3.240 298 HB2 ASP 42 1HB ASP 42 10.264 -8.809 -2.779 299 HB3 ASP 42 2HB ASP 42 9.749 -8.916 -4.456 300 H GLY 43 H GLY 43 13.461 -6.662 -4.381 301 HA2 GLY 43 1HA GLY 43 14.408 -5.720 -6.410 302 HA3 GLY 43 2HA GLY 43 14.790 -7.424 -6.321 303 H ARG 44 H ARG 44 12.086 -5.387 -7.482 304 HA ARG 44 HA ARG 44 12.226 -6.850 -10.031 305 HB2 ARG 44 1HB ARG 44 9.923 -6.526 -8.199 306 HB3 ARG 44 2HB ARG 44 9.589 -6.340 -9.916 307 HG2 ARG 44 1HG ARG 44 10.602 -8.547 -10.324 308 HG3 ARG 44 2HG ARG 44 10.834 -8.732 -8.583 309 HD2 ARG 44 1HD ARG 44 8.117 -8.072 -9.613 310 HD3 ARG 44 2HD ARG 44 8.711 -9.723 -9.788 311 HE ARG 44 HE ARG 44 9.174 -9.224 -7.186 312 HH11 ARG 44 1HH1 ARG 44 6.314 -8.799 -9.167 313 HH12 ARG 44 2HH1 ARG 44 5.217 -9.051 -7.851 314 HH21 ARG 44 1HH2 ARG 44 7.718 -9.565 -5.461 315 HH22 ARG 44 2HH2 ARG 44 6.012 -9.484 -5.752 316 HA PRO 45 HA PRO 45 12.439 -2.626 -11.530 317 HB2 PRO 45 1HB PRO 45 12.409 -3.849 -14.195 318 HB3 PRO 45 2HB PRO 45 13.682 -2.911 -13.412 319 HG2 PRO 45 1HG PRO 45 13.905 -5.564 -13.862 320 HG3 PRO 45 2HG PRO 45 14.651 -4.768 -12.465 321 HD2 PRO 45 1HD PRO 45 12.130 -6.379 -12.610 322 HD3 PRO 45 2HD PRO 45 13.397 -6.379 -11.365 323 H VAL 46 H VAL 46 10.558 -4.890 -13.558 324 HA VAL 46 HA VAL 46 8.196 -3.182 -13.268 325 HB VAL 46 HB VAL 46 9.131 -4.173 -15.970 326 HG11 VAL 46 1HG1 VAL 46 6.888 -2.313 -15.193 327 HG12 VAL 46 2HG1 VAL 46 6.716 -3.964 -15.787 328 HG13 VAL 46 3HG1 VAL 46 7.365 -2.710 -16.843 329 HG21 VAL 46 3HG2 VAL 46 9.643 -1.624 -14.546 330 HG22 VAL 46 1HG2 VAL 46 9.252 -1.530 -16.263 331 HG23 VAL 46 2HG2 VAL 46 10.633 -2.485 -15.724 332 HA PRO 47 HA PRO 47 6.124 -7.042 -12.548 333 HB2 PRO 47 1HB PRO 47 3.897 -5.800 -14.100 334 HB3 PRO 47 2HB PRO 47 3.872 -6.557 -12.501 335 HG2 PRO 47 1HG PRO 47 3.785 -3.915 -12.733 336 HG3 PRO 47 2HG PRO 47 4.753 -4.675 -11.456 337 HD2 PRO 47 1HD PRO 47 5.639 -3.436 -14.027 338 HD3 PRO 47 2HD PRO 47 6.413 -3.395 -12.429 339 H GLU 48 H GLU 48 7.440 -8.301 -13.943 340 HA GLU 48 HA GLU 48 7.027 -8.464 -16.746 341 HB2 GLU 48 1HB GLU 48 8.460 -10.439 -16.660 342 HB3 GLU 48 2HB GLU 48 9.143 -9.126 -15.711 343 HG2 GLU 48 1HG GLU 48 8.016 -10.268 -13.703 344 HG3 GLU 48 2HG GLU 48 7.867 -11.666 -14.764 345 H ASP 49 H ASP 49 5.654 -10.168 -13.994 346 HA ASP 49 HA ASP 49 4.380 -12.204 -15.567 347 HB2 ASP 49 1HB ASP 49 4.444 -11.418 -12.701 348 HB3 ASP 49 2HB ASP 49 3.026 -12.310 -13.243 349 H GLN 50 H GLN 50 3.615 -8.945 -14.764 350 HA GLN 50 HA GLN 50 1.881 -7.594 -15.286 351 HB2 GLN 50 1HB GLN 50 1.903 -9.464 -17.324 352 HB3 GLN 50 2HB GLN 50 0.235 -9.497 -16.765 353 HG2 GLN 50 1HG GLN 50 -0.035 -7.794 -18.190 354 HG3 GLN 50 2HG GLN 50 0.669 -6.831 -16.892 355 HE21 GLN 50 2HE2 GLN 50 1.467 -8.639 -19.817 356 HE22 GLN 50 1HE2 GLN 50 2.848 -7.690 -20.240 357 H SER 51 H SER 51 -0.399 -7.189 -14.818 358 HA SER 51 HA SER 51 -1.999 -9.133 -13.482 359 HB2 SER 51 1HB SER 51 -0.173 -8.561 -11.775 360 HB3 SER 51 2HB SER 51 -0.918 -6.967 -11.674 361 HG SER 51 HG SER 51 -1.687 -8.494 -10.091 362 H VAL 52 H VAL 52 -3.674 -7.666 -11.985 363 HA VAL 52 HA VAL 52 -4.993 -5.999 -13.951 364 HB VAL 52 HB VAL 52 -5.876 -6.544 -11.112 365 HG11 VAL 52 1HG1 VAL 52 -7.083 -5.237 -13.468 366 HG12 VAL 52 2HG1 VAL 52 -7.351 -4.957 -11.747 367 HG13 VAL 52 3HG1 VAL 52 -8.138 -6.314 -12.552 368 HG21 VAL 52 3HG2 VAL 52 -5.896 -8.703 -11.797 369 HG22 VAL 52 1HG2 VAL 52 -5.937 -8.277 -13.509 370 HG23 VAL 52 2HG2 VAL 52 -7.413 -8.210 -12.548 371 H GLU 53 H GLU 53 -2.875 -4.608 -13.659 372 HA GLU 53 HA GLU 53 -1.912 -2.648 -13.043 373 HB2 GLU 53 1HB GLU 53 -4.595 -1.760 -12.007 374 HB3 GLU 53 2HB GLU 53 -3.325 -0.786 -12.732 375 HG2 GLU 53 1HG GLU 53 -3.755 -1.989 -14.885 376 HG3 GLU 53 2HG GLU 53 -5.158 -2.728 -14.112 377 H VAL 54 H VAL 54 -2.212 -4.857 -10.996 378 HA VAL 54 HA VAL 54 -1.717 -3.190 -8.617 379 HB VAL 54 HB VAL 54 -2.611 -4.978 -7.196 380 HG11 VAL 54 1HG1 VAL 54 -5.065 -4.828 -8.207 381 HG12 VAL 54 2HG1 VAL 54 -4.297 -3.592 -9.203 382 HG13 VAL 54 3HG1 VAL 54 -4.273 -3.449 -7.446 383 HG21 VAL 54 3HG2 VAL 54 -4.008 -6.762 -8.310 384 HG22 VAL 54 1HG2 VAL 54 -2.262 -6.934 -8.487 385 HG23 VAL 54 2HG2 VAL 54 -3.226 -6.309 -9.825 386 H ASP 55 H ASP 55 -0.322 -4.240 -6.979 387 HA ASP 55 HA ASP 55 1.405 -6.377 -7.941 388 HB2 ASP 55 1HB ASP 55 2.256 -3.533 -7.636 389 HB3 ASP 55 2HB ASP 55 3.383 -4.784 -7.121 390 H ARG 56 H ARG 56 2.741 -7.301 -6.285 391 HA ARG 56 HA ARG 56 1.611 -6.926 -3.610 392 HB2 ARG 56 1HB ARG 56 1.728 -9.220 -4.601 393 HB3 ARG 56 2HB ARG 56 3.481 -9.097 -4.580 394 HG2 ARG 56 1HG ARG 56 3.550 -9.071 -2.219 395 HG3 ARG 56 2HG ARG 56 1.808 -8.810 -2.099 396 HD2 ARG 56 1HD ARG 56 3.083 -11.283 -3.265 397 HD3 ARG 56 2HD ARG 56 2.537 -11.143 -1.594 398 HE ARG 56 HE ARG 56 0.341 -10.474 -3.046 399 HH11 ARG 56 1HH1 ARG 56 2.483 -13.243 -3.048 400 HH12 ARG 56 2HH1 ARG 56 1.261 -14.343 -3.585 401 HH21 ARG 56 1HH2 ARG 56 -1.266 -11.930 -3.754 402 HH22 ARG 56 2HH2 ARG 56 -0.867 -13.600 -3.987 403 H VAL 57 H VAL 57 2.705 -6.010 -1.994 404 HA VAL 57 HA VAL 57 5.617 -5.686 -2.244 405 HB VAL 57 HB VAL 57 5.316 -3.363 -1.228 406 HG11 VAL 57 1HG1 VAL 57 4.659 -4.099 -4.051 407 HG12 VAL 57 2HG1 VAL 57 6.116 -3.353 -3.395 408 HG13 VAL 57 3HG1 VAL 57 4.636 -2.409 -3.546 409 HG21 VAL 57 3HG2 VAL 57 3.243 -2.771 -0.666 410 HG22 VAL 57 1HG2 VAL 57 2.545 -4.135 -1.539 411 HG23 VAL 57 2HG2 VAL 57 2.898 -2.634 -2.389 412 H LYS 58 H LYS 58 6.601 -4.923 -0.140 413 HA LYS 58 HA LYS 58 5.206 -6.209 2.121 414 HB2 LYS 58 1HB LYS 58 7.614 -6.385 3.056 415 HB3 LYS 58 2HB LYS 58 7.110 -7.512 1.804 416 HG2 LYS 58 1HG LYS 58 8.234 -6.117 0.121 417 HG3 LYS 58 2HG LYS 58 8.773 -5.032 1.404 418 HD2 LYS 58 1HD LYS 58 10.614 -6.410 1.085 419 HD3 LYS 58 2HD LYS 58 9.794 -7.168 2.452 420 HE2 LYS 58 1HE LYS 58 8.623 -8.343 0.236 421 HE3 LYS 58 2HE LYS 58 10.321 -8.197 -0.215 422 HZ1 LYS 58 3HZ LYS 58 10.761 -9.218 2.075 423 HZ2 LYS 58 1HZ LYS 58 10.199 -10.237 0.846 424 HZ3 LYS 58 2HZ LYS 58 9.135 -9.685 2.040 425 H VAL 59 H VAL 59 4.982 -5.123 4.016 426 HA VAL 59 HA VAL 59 5.790 -2.299 3.993 427 HB VAL 59 HB VAL 59 4.117 -2.082 5.891 428 HG11 VAL 59 1HG1 VAL 59 2.151 -2.175 4.306 429 HG12 VAL 59 2HG1 VAL 59 3.267 -2.817 3.102 430 HG13 VAL 59 3HG1 VAL 59 3.530 -1.210 3.779 431 HG21 VAL 59 3HG2 VAL 59 4.006 -4.510 6.409 432 HG22 VAL 59 1HG2 VAL 59 3.160 -4.760 4.882 433 HG23 VAL 59 2HG2 VAL 59 2.427 -3.774 6.146 434 H LEU 60 H LEU 60 7.018 -1.411 5.570 435 HA LEU 60 HA LEU 60 8.163 -3.264 7.549 436 HB2 LEU 60 1HB LEU 60 9.513 -1.932 5.679 437 HB3 LEU 60 2HB LEU 60 9.473 -0.673 6.900 438 HG LEU 60 HG LEU 60 10.327 -3.301 7.906 439 HD11 LEU 60 1HD1 LEU 60 11.300 -3.246 5.599 440 HD12 LEU 60 2HD1 LEU 60 12.486 -3.307 6.902 441 HD13 LEU 60 3HD1 LEU 60 12.169 -1.785 6.070 442 HD21 LEU 60 3HD2 LEU 60 10.378 -1.236 9.229 443 HD22 LEU 60 1HD2 LEU 60 11.512 -0.533 8.075 444 HD23 LEU 60 2HD2 LEU 60 11.985 -1.935 9.036 445 H ARG 61 H ARG 61 7.469 -2.997 9.560 446 HA ARG 61 HA ARG 61 6.611 -0.313 10.427 447 HB2 ARG 61 1HB ARG 61 5.148 -2.619 10.460 448 HB3 ARG 61 2HB ARG 61 5.819 -2.616 12.085 449 HG2 ARG 61 1HG ARG 61 4.903 -0.366 12.445 450 HG3 ARG 61 2HG ARG 61 4.197 -0.408 10.828 451 HD2 ARG 61 1HD ARG 61 3.220 -2.709 11.811 452 HD3 ARG 61 2HD ARG 61 3.367 -1.789 13.308 453 HE ARG 61 HE ARG 61 1.489 -1.356 11.179 454 HH11 ARG 61 1HH1 ARG 61 3.159 0.166 13.855 455 HH12 ARG 61 2HH1 ARG 61 1.971 1.408 14.051 456 HH21 ARG 61 1HH2 ARG 61 -0.077 0.283 11.444 457 HH22 ARG 61 2HH2 ARG 61 0.132 1.477 12.682 458 H LEU 62 H LEU 62 8.276 -3.261 11.552 459 HA LEU 62 HA LEU 62 9.383 -1.827 13.836 460 HB2 LEU 62 1HB LEU 62 8.822 -4.575 13.194 461 HB3 LEU 62 2HB LEU 62 10.506 -4.413 13.652 462 HG LEU 62 HG LEU 62 9.082 -5.006 15.560 463 HD11 LEU 62 1HD1 LEU 62 10.018 -3.505 17.107 464 HD12 LEU 62 2HD1 LEU 62 10.060 -2.190 15.932 465 HD13 LEU 62 3HD1 LEU 62 11.155 -3.563 15.762 466 HD21 LEU 62 3HD2 LEU 62 7.720 -2.394 14.934 467 HD22 LEU 62 1HD2 LEU 62 7.550 -3.247 16.469 468 HD23 LEU 62 2HD2 LEU 62 7.002 -4.004 14.973 469 H ILE 63 H ILE 63 11.695 -1.858 14.289 470 HA ILE 63 HA ILE 63 13.574 -2.478 12.215 471 HB ILE 63 HB ILE 63 12.686 -0.373 11.319 472 HG12 ILE 63 1HG1 ILE 63 15.467 0.061 12.427 473 HG13 ILE 63 2HG1 ILE 63 15.111 -1.000 11.067 474 HG21 ILE 63 1HG2 ILE 63 13.023 1.740 12.509 475 HG22 ILE 63 2HG2 ILE 63 13.628 0.853 13.907 476 HG23 ILE 63 3HG2 ILE 63 11.952 0.656 13.396 477 HD11 ILE 63 3HD1 ILE 63 15.026 0.704 9.646 478 HD12 ILE 63 1HD1 ILE 63 15.750 1.670 10.933 479 HD13 ILE 63 2HD1 ILE 63 14.000 1.656 10.719 480 H LYS 64 H LYS 64 15.757 -2.317 12.906 481 HA LYS 64 HA LYS 64 16.153 -1.571 15.724 482 HB2 LYS 64 1HB LYS 64 17.739 -3.534 15.902 483 HB3 LYS 64 2HB LYS 64 16.033 -3.939 15.818 484 HG2 LYS 64 1HG LYS 64 16.357 -4.364 13.366 485 HG3 LYS 64 2HG LYS 64 18.091 -4.190 13.641 486 HD2 LYS 64 1HD LYS 64 18.017 -6.414 13.999 487 HD3 LYS 64 2HD LYS 64 17.437 -5.949 15.599 488 HE2 LYS 64 1HE LYS 64 15.178 -6.312 14.986 489 HE3 LYS 64 2HE LYS 64 15.587 -6.428 13.275 490 HZ1 LYS 64 3HZ LYS 64 16.283 -8.556 13.490 491 HZ2 LYS 64 1HZ LYS 64 15.189 -8.550 14.780 492 HZ3 LYS 64 2HZ LYS 64 16.844 -8.357 15.074 493 H GLY 65 H GLY 65 17.051 0.402 14.953 494 HA2 GLY 65 1HA GLY 65 19.706 0.098 13.684 495 HA3 GLY 65 2HA GLY 65 18.662 1.489 13.434 496 H GLY 66 H GLY 66 18.356 2.985 15.186 497 HA2 GLY 66 1HA GLY 66 19.486 2.869 17.707 498 HA3 GLY 66 2HA GLY 66 20.756 3.467 16.652 Start of MODEL 9 1 H1 MET 1 1H MET 1 -8.667 -2.234 -3.638 2 H2 MET 1 2H MET 1 -7.611 -2.128 -4.988 3 H3 MET 1 3H MET 1 -9.151 -1.371 -5.040 4 HA MET 1 HA MET 1 -7.538 0.267 -4.697 5 HB2 MET 1 1HB MET 1 -9.580 -0.431 -2.755 6 HB3 MET 1 2HB MET 1 -8.285 0.491 -2.002 7 HG2 MET 1 1HG MET 1 -9.367 2.291 -2.714 8 HG3 MET 1 2HG MET 1 -8.742 1.888 -4.312 9 HE1 MET 1 3HE MET 1 -11.335 2.431 -2.006 10 HE2 MET 1 1HE MET 1 -12.444 1.073 -2.192 11 HE3 MET 1 2HE MET 1 -12.763 2.593 -3.028 12 H ASN 2 H ASN 2 -7.462 -1.522 -1.605 13 HA ASN 2 HA ASN 2 -4.648 -0.906 -1.321 14 HB2 ASN 2 1HB ASN 2 -6.476 -2.446 0.541 15 HB3 ASN 2 2HB ASN 2 -4.864 -1.851 0.923 16 HD21 ASN 2 2HD2 ASN 2 -7.073 -1.223 2.462 17 HD22 ASN 2 1HD2 ASN 2 -7.408 0.465 2.307 18 H VAL 3 H VAL 3 -3.004 -2.430 -1.054 19 HA VAL 3 HA VAL 3 -3.536 -5.017 -2.340 20 HB VAL 3 HB VAL 3 -1.021 -5.140 -2.566 21 HG11 VAL 3 1HG1 VAL 3 -1.101 -3.089 -4.293 22 HG12 VAL 3 2HG1 VAL 3 -2.826 -3.282 -3.979 23 HG13 VAL 3 3HG1 VAL 3 -1.884 -4.641 -4.590 24 HG21 VAL 3 3HG2 VAL 3 0.297 -3.150 -2.321 25 HG22 VAL 3 1HG2 VAL 3 -0.531 -3.462 -0.795 26 HG23 VAL 3 2HG2 VAL 3 -1.126 -2.205 -1.880 27 H THR 4 H THR 4 -3.046 -6.936 -1.351 28 HA THR 4 HA THR 4 -2.898 -6.914 1.507 29 HB THR 4 HB THR 4 -2.417 -9.403 -0.085 30 HG1 THR 4 HG1 THR 4 -4.911 -8.058 0.092 31 HG21 THR 4 3HG2 THR 4 -3.413 -8.737 2.558 32 HG22 THR 4 1HG2 THR 4 -2.769 -10.255 1.932 33 HG23 THR 4 2HG2 THR 4 -4.467 -9.849 1.685 34 H VAL 5 H VAL 5 -1.097 -6.542 2.580 35 HA VAL 5 HA VAL 5 1.459 -7.509 1.473 36 HB VAL 5 HB VAL 5 1.604 -5.155 1.559 37 HG11 VAL 5 1HG1 VAL 5 -0.345 -4.665 2.909 38 HG12 VAL 5 2HG1 VAL 5 1.060 -3.822 3.557 39 HG13 VAL 5 3HG1 VAL 5 0.465 -5.281 4.349 40 HG21 VAL 5 3HG2 VAL 5 2.849 -5.569 4.198 41 HG22 VAL 5 1HG2 VAL 5 3.538 -4.949 2.699 42 HG23 VAL 5 2HG2 VAL 5 3.342 -6.685 2.926 43 H GLU 6 H GLU 6 2.719 -8.811 2.672 44 HA GLU 6 HA GLU 6 1.632 -9.878 5.141 45 HB2 GLU 6 1HB GLU 6 4.212 -10.674 3.784 46 HB3 GLU 6 2HB GLU 6 3.279 -11.605 4.947 47 HG2 GLU 6 1HG GLU 6 2.654 -12.655 3.038 48 HG3 GLU 6 2HG GLU 6 1.413 -11.406 3.096 49 H VAL 7 H VAL 7 2.084 -8.943 7.020 50 HA VAL 7 HA VAL 7 4.408 -7.230 7.307 51 HB VAL 7 HB VAL 7 2.451 -7.924 9.493 52 HG11 VAL 7 1HG1 VAL 7 3.068 -5.720 10.357 53 HG12 VAL 7 2HG1 VAL 7 4.170 -5.497 8.999 54 HG13 VAL 7 3HG1 VAL 7 4.478 -6.766 10.184 55 HG21 VAL 7 3HG2 VAL 7 1.739 -5.435 8.414 56 HG22 VAL 7 1HG2 VAL 7 0.808 -6.931 8.371 57 HG23 VAL 7 2HG2 VAL 7 1.894 -6.531 7.041 58 H VAL 8 H VAL 8 6.247 -7.713 8.387 59 HA VAL 8 HA VAL 8 6.699 -10.449 9.161 60 HB VAL 8 HB VAL 8 8.545 -8.086 9.554 61 HG11 VAL 8 1HG1 VAL 8 9.501 -9.751 10.808 62 HG12 VAL 8 2HG1 VAL 8 10.218 -10.091 9.233 63 HG13 VAL 8 3HG1 VAL 8 8.845 -11.041 9.801 64 HG21 VAL 8 3HG2 VAL 8 9.581 -9.257 7.408 65 HG22 VAL 8 1HG2 VAL 8 8.345 -8.007 7.284 66 HG23 VAL 8 2HG2 VAL 8 7.896 -9.706 7.149 67 H GLY 9 H GLY 9 6.262 -11.283 11.091 68 HA2 GLY 9 1HA GLY 9 6.338 -11.445 13.427 69 HA3 GLY 9 2HA GLY 9 6.708 -9.722 13.510 70 H GLU 10 H GLU 10 4.347 -9.198 11.663 71 HA GLU 10 HA GLU 10 2.216 -9.494 13.675 72 HB2 GLU 10 1HB GLU 10 3.106 -7.171 12.040 73 HB3 GLU 10 2HB GLU 10 1.380 -7.342 12.317 74 HG2 GLU 10 1HG GLU 10 2.794 -7.710 14.780 75 HG3 GLU 10 2HG GLU 10 3.309 -6.209 14.013 76 H GLU 11 H GLU 11 -0.013 -9.391 12.739 77 HA GLU 11 HA GLU 11 -0.441 -11.394 10.856 78 HB2 GLU 11 1HB GLU 11 -2.067 -9.436 12.289 79 HB3 GLU 11 2HB GLU 11 -2.730 -9.846 10.715 80 HG2 GLU 11 1HG GLU 11 -2.665 -12.222 11.319 81 HG3 GLU 11 2HG GLU 11 -2.032 -11.789 12.907 82 H THR 12 H THR 12 -2.171 -10.683 8.917 83 HA THR 12 HA THR 12 -0.471 -9.097 7.134 84 HB THR 12 HB THR 12 -2.821 -10.809 6.323 85 HG1 THR 12 HG1 THR 12 -1.571 -12.326 7.163 86 HG21 THR 12 3HG2 THR 12 -0.354 -10.027 4.795 87 HG22 THR 12 1HG2 THR 12 -1.937 -9.273 4.617 88 HG23 THR 12 2HG2 THR 12 -1.718 -10.972 4.197 89 H SER 13 H SER 13 -1.039 -7.176 6.385 90 HA SER 13 HA SER 13 -3.836 -6.288 6.676 91 HB2 SER 13 1HB SER 13 -1.292 -4.873 7.442 92 HB3 SER 13 2HB SER 13 -2.739 -3.954 7.026 93 HG SER 13 HG SER 13 -3.781 -4.788 8.751 94 H GLU 14 H GLU 14 -4.396 -4.432 5.258 95 HA GLU 14 HA GLU 14 -3.087 -4.730 2.641 96 HB2 GLU 14 1HB GLU 14 -5.834 -3.619 3.256 97 HB3 GLU 14 2HB GLU 14 -5.165 -3.928 1.660 98 HG2 GLU 14 1HG GLU 14 -5.104 -6.319 2.139 99 HG3 GLU 14 2HG GLU 14 -5.761 -6.015 3.745 100 H VAL 15 H VAL 15 -2.253 -3.013 1.564 101 HA VAL 15 HA VAL 15 -2.410 -0.384 2.896 102 HB VAL 15 HB VAL 15 -0.168 -1.345 3.131 103 HG11 VAL 15 1HG1 VAL 15 0.015 -2.813 1.286 104 HG12 VAL 15 2HG1 VAL 15 1.239 -1.567 1.045 105 HG13 VAL 15 3HG1 VAL 15 -0.267 -1.512 0.128 106 HG21 VAL 15 3HG2 VAL 15 -0.385 1.074 2.938 107 HG22 VAL 15 1HG2 VAL 15 -0.255 0.958 1.182 108 HG23 VAL 15 2HG2 VAL 15 1.116 0.521 2.199 109 H ALA 16 H ALA 16 -2.583 1.454 1.602 110 HA ALA 16 HA ALA 16 -3.777 0.997 -0.999 111 HB1 ALA 16 3HB ALA 16 -4.053 3.532 -0.922 112 HB2 ALA 16 1HB ALA 16 -3.438 3.432 0.728 113 HB3 ALA 16 2HB ALA 16 -4.924 2.591 0.288 114 H VAL 17 H VAL 17 -2.740 1.100 -2.874 115 HA VAL 17 HA VAL 17 -0.225 2.629 -3.042 116 HB VAL 17 HB VAL 17 0.520 0.923 -4.746 117 HG11 VAL 17 1HG1 VAL 17 0.950 1.079 -2.092 118 HG12 VAL 17 2HG1 VAL 17 1.724 -0.109 -3.140 119 HG13 VAL 17 3HG1 VAL 17 0.298 -0.556 -2.205 120 HG21 VAL 17 3HG2 VAL 17 -2.022 -0.035 -4.564 121 HG22 VAL 17 1HG2 VAL 17 -1.149 -1.160 -3.525 122 HG23 VAL 17 2HG2 VAL 17 -0.652 -0.941 -5.204 123 H ASP 18 H ASP 18 0.336 3.382 -5.186 124 HA ASP 18 HA ASP 18 -1.975 4.366 -6.598 125 HB2 ASP 18 1HB ASP 18 0.751 5.151 -6.284 126 HB3 ASP 18 2HB ASP 18 0.402 5.020 -8.004 127 H ASP 19 H ASP 19 0.137 1.679 -6.975 128 HA ASP 19 HA ASP 19 0.232 1.328 -9.733 129 HB2 ASP 19 1HB ASP 19 0.391 -0.486 -7.382 130 HB3 ASP 19 2HB ASP 19 0.076 -1.235 -8.942 131 H ASP 20 H ASP 20 -2.311 0.419 -7.431 132 HA ASP 20 HA ASP 20 -3.947 -1.108 -9.052 133 HB2 ASP 20 1HB ASP 20 -4.161 -0.250 -6.524 134 HB3 ASP 20 2HB ASP 20 -5.274 0.885 -7.275 135 H GLY 21 H GLY 21 -3.579 2.394 -8.931 136 HA2 GLY 21 1HA GLY 21 -4.122 3.987 -10.508 137 HA3 GLY 21 2HA GLY 21 -4.674 2.689 -11.566 138 H THR 22 H THR 22 -5.964 3.000 -8.331 139 HA THR 22 HA THR 22 -8.586 3.558 -9.486 140 HB THR 22 HB THR 22 -9.462 2.947 -7.250 141 HG1 THR 22 HG1 THR 22 -7.873 3.464 -5.846 142 HG21 THR 22 3HG2 THR 22 -7.838 1.124 -8.874 143 HG22 THR 22 1HG2 THR 22 -9.506 0.980 -8.321 144 HG23 THR 22 2HG2 THR 22 -8.177 0.575 -7.234 145 H TYR 23 H TYR 23 -10.064 5.022 -8.199 146 HA TYR 23 HA TYR 23 -9.018 7.626 -8.159 147 HB2 TYR 23 1HB TYR 23 -11.532 6.603 -8.185 148 HB3 TYR 23 2HB TYR 23 -11.432 7.153 -6.517 149 HD1 TYR 23 HD1 TYR 23 -10.132 8.591 -9.722 150 HD2 TYR 23 HD2 TYR 23 -12.617 9.124 -6.308 151 HE1 TYR 23 HE1 TYR 23 -10.645 10.877 -10.459 152 HE2 TYR 23 HE2 TYR 23 -13.136 11.414 -7.038 153 HH TYR 23 HH TYR 23 -12.621 12.540 -10.075 154 H ALA 24 H ALA 24 -9.447 5.260 -5.590 155 HA ALA 24 HA ALA 24 -9.116 6.901 -3.357 156 HB1 ALA 24 3HB ALA 24 -8.824 4.024 -3.922 157 HB2 ALA 24 1HB ALA 24 -9.703 4.847 -2.635 158 HB3 ALA 24 2HB ALA 24 -7.958 4.619 -2.507 159 H ASP 25 H ASP 25 -6.731 5.501 -5.542 160 HA ASP 25 HA ASP 25 -4.404 5.951 -4.056 161 HB2 ASP 25 1HB ASP 25 -4.670 6.117 -7.066 162 HB3 ASP 25 2HB ASP 25 -3.198 5.797 -6.157 163 H LEU 26 H LEU 26 -6.241 8.109 -6.173 164 HA LEU 26 HA LEU 26 -4.417 10.227 -6.323 165 HB2 LEU 26 1HB LEU 26 -6.976 9.748 -7.242 166 HB3 LEU 26 2HB LEU 26 -7.216 11.061 -6.107 167 HG LEU 26 HG LEU 26 -6.909 11.875 -8.400 168 HD11 LEU 26 1HD1 LEU 26 -4.691 12.566 -6.482 169 HD12 LEU 26 2HD1 LEU 26 -6.261 13.355 -6.630 170 HD13 LEU 26 3HD1 LEU 26 -5.081 13.489 -7.933 171 HD21 LEU 26 3HD2 LEU 26 -4.031 11.195 -8.420 172 HD22 LEU 26 1HD2 LEU 26 -5.176 11.342 -9.753 173 HD23 LEU 26 2HD2 LEU 26 -5.158 9.883 -8.763 174 H VAL 27 H VAL 27 -6.700 9.305 -3.807 175 HA VAL 27 HA VAL 27 -6.497 11.706 -2.284 176 HB VAL 27 HB VAL 27 -7.256 8.969 -1.247 177 HG11 VAL 27 1HG1 VAL 27 -6.811 11.204 0.191 178 HG12 VAL 27 2HG1 VAL 27 -7.980 9.965 0.643 179 HG13 VAL 27 3HG1 VAL 27 -8.517 11.419 -0.197 180 HG21 VAL 27 3HG2 VAL 27 -8.522 10.214 -3.320 181 HG22 VAL 27 1HG2 VAL 27 -9.418 10.831 -1.932 182 HG23 VAL 27 2HG2 VAL 27 -9.288 9.093 -2.197 183 H ARG 28 H ARG 28 -5.023 8.471 -1.883 184 HA ARG 28 HA ARG 28 -3.435 9.201 0.340 185 HB2 ARG 28 1HB ARG 28 -2.223 7.117 -0.027 186 HB3 ARG 28 2HB ARG 28 -3.957 6.865 -0.143 187 HG2 ARG 28 1HG ARG 28 -3.814 6.129 -2.241 188 HG3 ARG 28 2HG ARG 28 -2.714 7.423 -2.715 189 HD2 ARG 28 1HD ARG 28 -1.756 5.155 -1.016 190 HD3 ARG 28 2HD ARG 28 -1.879 4.972 -2.765 191 HE ARG 28 HE ARG 28 -0.466 7.248 -2.526 192 HH11 ARG 28 1HH1 ARG 28 -0.060 4.088 -1.063 193 HH12 ARG 28 2HH1 ARG 28 1.659 4.242 -0.925 194 HH21 ARG 28 1HH2 ARG 28 1.801 7.437 -2.333 195 HH22 ARG 28 2HH2 ARG 28 2.713 6.136 -1.643 196 H ALA 29 H ALA 29 -2.868 9.347 -3.132 197 HA ALA 29 HA ALA 29 -0.115 9.753 -3.195 198 HB1 ALA 29 3HB ALA 29 -2.039 11.160 -5.032 199 HB2 ALA 29 1HB ALA 29 -1.682 9.437 -5.159 200 HB3 ALA 29 2HB ALA 29 -0.394 10.623 -5.372 201 H VAL 30 H VAL 30 -2.637 11.921 -2.152 202 HA VAL 30 HA VAL 30 -0.924 14.266 -2.261 203 HB VAL 30 HB VAL 30 -3.660 14.076 -0.997 204 HG11 VAL 30 1HG1 VAL 30 -2.987 16.141 -0.376 205 HG12 VAL 30 2HG1 VAL 30 -3.490 16.557 -2.014 206 HG13 VAL 30 3HG1 VAL 30 -1.787 16.259 -1.664 207 HG21 VAL 30 3HG2 VAL 30 -3.027 13.664 -3.715 208 HG22 VAL 30 1HG2 VAL 30 -3.731 15.277 -3.591 209 HG23 VAL 30 2HG2 VAL 30 -4.620 13.878 -2.990 210 H ASP 31 H ASP 31 -0.311 11.886 -0.495 211 HA ASP 31 HA ASP 31 0.624 11.500 1.526 212 HB2 ASP 31 1HB ASP 31 0.410 14.469 2.050 213 HB3 ASP 31 2HB ASP 31 1.519 13.329 2.801 214 H LEU 32 H LEU 32 -2.013 10.970 1.375 215 HA LEU 32 HA LEU 32 -2.992 11.737 4.045 216 HB2 LEU 32 1HB LEU 32 -4.474 11.633 1.437 217 HB3 LEU 32 2HB LEU 32 -5.324 11.387 2.948 218 HG LEU 32 HG LEU 32 -3.719 13.761 3.143 219 HD11 LEU 32 1HD1 LEU 32 -5.141 13.354 0.590 220 HD12 LEU 32 2HD1 LEU 32 -3.771 14.395 0.979 221 HD13 LEU 32 3HD1 LEU 32 -5.408 14.901 1.395 222 HD21 LEU 32 3HD2 LEU 32 -5.492 13.703 4.584 223 HD22 LEU 32 1HD2 LEU 32 -6.570 12.954 3.407 224 HD23 LEU 32 2HD2 LEU 32 -6.191 14.672 3.288 225 H SER 33 H SER 33 -1.431 9.440 3.404 226 HA SER 33 HA SER 33 -3.162 7.165 3.120 227 HB2 SER 33 1HB SER 33 -0.235 7.589 3.513 228 HB3 SER 33 2HB SER 33 -0.904 6.016 3.945 229 HG SER 33 HG SER 33 -0.694 7.245 1.445 230 HA PRO 34 HA PRO 34 -4.169 7.028 7.473 231 HB2 PRO 34 1HB PRO 34 -5.835 4.921 7.384 232 HB3 PRO 34 2HB PRO 34 -6.291 6.500 6.731 233 HG2 PRO 34 1HG PRO 34 -5.326 4.061 5.294 234 HG3 PRO 34 2HG PRO 34 -6.622 5.185 4.846 235 HD2 PRO 34 1HD PRO 34 -4.094 5.258 3.784 236 HD3 PRO 34 2HD PRO 34 -5.167 6.669 3.890 237 H HIS 35 H HIS 35 -3.032 4.193 5.668 238 HA HIS 35 HA HIS 35 -2.406 2.683 8.031 239 HB2 HIS 35 1HB HIS 35 -2.806 2.014 5.404 240 HB3 HIS 35 2HB HIS 35 -1.055 1.902 5.535 241 HD1 HIS 35 HD1 HIS 35 -0.480 -0.480 5.855 242 HD2 HIS 35 HD2 HIS 35 -3.863 0.590 8.019 243 HE1 HIS 35 HE1 HIS 35 -1.134 -2.539 7.142 244 HE2 HIS 35 HE2 HIS 35 -3.136 -1.845 8.503 245 H GLU 36 H GLU 36 -0.550 4.568 5.664 246 HA GLU 36 HA GLU 36 1.604 5.290 5.611 247 HB2 GLU 36 1HB GLU 36 0.458 6.420 7.697 248 HB3 GLU 36 2HB GLU 36 1.616 5.446 8.593 249 HG2 GLU 36 1HG GLU 36 3.433 6.461 7.252 250 HG3 GLU 36 2HG GLU 36 2.235 7.511 6.498 251 H VAL 37 H VAL 37 2.162 3.041 4.978 252 HA VAL 37 HA VAL 37 3.986 1.842 6.967 253 HB VAL 37 HB VAL 37 3.573 -0.353 5.857 254 HG11 VAL 37 1HG1 VAL 37 0.973 0.736 6.875 255 HG12 VAL 37 2HG1 VAL 37 2.371 0.562 7.936 256 HG13 VAL 37 3HG1 VAL 37 1.692 -0.855 7.135 257 HG21 VAL 37 3HG2 VAL 37 1.416 1.208 4.445 258 HG22 VAL 37 1HG2 VAL 37 1.458 -0.554 4.531 259 HG23 VAL 37 2HG2 VAL 37 2.756 0.320 3.717 260 H THR 38 H THR 38 5.844 0.728 6.093 261 HA THR 38 HA THR 38 6.972 2.157 3.838 262 HB THR 38 HB THR 38 8.293 -0.035 5.443 263 HG1 THR 38 HG1 THR 38 8.090 2.731 6.038 264 HG21 THR 38 3HG2 THR 38 9.874 0.391 3.905 265 HG22 THR 38 1HG2 THR 38 10.222 1.756 4.967 266 HG23 THR 38 2HG2 THR 38 9.235 1.990 3.524 267 H VAL 39 H VAL 39 6.731 1.469 1.832 268 HA VAL 39 HA VAL 39 6.081 -1.330 1.310 269 HB VAL 39 HB VAL 39 5.481 -0.634 -0.941 270 HG11 VAL 39 1HG1 VAL 39 3.811 1.292 -0.172 271 HG12 VAL 39 2HG1 VAL 39 4.336 0.744 1.418 272 HG13 VAL 39 3HG1 VAL 39 3.592 -0.395 0.294 273 HG21 VAL 39 3HG2 VAL 39 5.524 1.790 -1.542 274 HG22 VAL 39 1HG2 VAL 39 7.119 1.053 -1.397 275 HG23 VAL 39 2HG2 VAL 39 6.500 2.080 -0.103 276 H LEU 40 H LEU 40 7.357 -2.726 0.195 277 HA LEU 40 HA LEU 40 10.128 -1.979 -0.151 278 HB2 LEU 40 1HB LEU 40 8.589 -4.489 -0.058 279 HB3 LEU 40 2HB LEU 40 9.947 -4.510 -1.169 280 HG LEU 40 HG LEU 40 10.118 -3.854 1.777 281 HD11 LEU 40 1HD1 LEU 40 9.749 -6.321 0.667 282 HD12 LEU 40 2HD1 LEU 40 10.535 -6.005 2.212 283 HD13 LEU 40 3HD1 LEU 40 11.506 -6.212 0.755 284 HD21 LEU 40 3HD2 LEU 40 12.261 -3.274 1.489 285 HD22 LEU 40 1HD2 LEU 40 11.829 -3.050 -0.205 286 HD23 LEU 40 2HD2 LEU 40 12.554 -4.566 0.326 287 H VAL 41 H VAL 41 11.315 -2.382 -2.143 288 HA VAL 41 HA VAL 41 9.699 -1.735 -4.502 289 HB VAL 41 HB VAL 41 12.675 -1.327 -4.152 290 HG11 VAL 41 1HG1 VAL 41 10.703 -0.692 -6.293 291 HG12 VAL 41 2HG1 VAL 41 12.361 -1.280 -6.423 292 HG13 VAL 41 3HG1 VAL 41 12.055 0.410 -6.026 293 HG21 VAL 41 3HG2 VAL 41 11.986 0.233 -2.654 294 HG22 VAL 41 1HG2 VAL 41 10.369 0.348 -3.349 295 HG23 VAL 41 2HG2 VAL 41 11.722 1.170 -4.126 296 H ASP 42 H ASP 42 9.843 -2.946 -6.329 297 HA ASP 42 HA ASP 42 10.340 -5.633 -6.241 298 HB2 ASP 42 1HB ASP 42 9.109 -4.722 -8.069 299 HB3 ASP 42 2HB ASP 42 10.464 -3.704 -8.544 300 H GLY 43 H GLY 43 12.059 -6.902 -6.276 301 HA2 GLY 43 1HA GLY 43 14.446 -6.603 -7.610 302 HA3 GLY 43 2HA GLY 43 14.687 -5.797 -6.066 303 H ARG 44 H ARG 44 12.878 -7.646 -4.654 304 HA ARG 44 HA ARG 44 14.785 -9.841 -4.326 305 HB2 ARG 44 1HB ARG 44 12.878 -8.433 -2.586 306 HB3 ARG 44 2HB ARG 44 12.900 -10.175 -2.356 307 HG2 ARG 44 1HG ARG 44 14.596 -9.791 -0.964 308 HG3 ARG 44 2HG ARG 44 15.567 -9.566 -2.421 309 HD2 ARG 44 1HD ARG 44 14.612 -7.107 -2.248 310 HD3 ARG 44 2HD ARG 44 14.437 -7.546 -0.550 311 HE ARG 44 HE ARG 44 17.038 -8.116 -1.638 312 HH11 ARG 44 1HH1 ARG 44 15.050 -5.662 -0.118 313 HH12 ARG 44 2HH1 ARG 44 16.402 -4.780 0.502 314 HH21 ARG 44 1HH2 ARG 44 18.811 -6.945 -0.823 315 HH22 ARG 44 2HH2 ARG 44 18.538 -5.507 0.101 316 HA PRO 45 HA PRO 45 12.355 -13.088 -6.046 317 HB2 PRO 45 1HB PRO 45 12.077 -14.887 -3.963 318 HB3 PRO 45 2HB PRO 45 13.501 -14.750 -4.999 319 HG2 PRO 45 1HG PRO 45 13.017 -13.609 -2.276 320 HG3 PRO 45 2HG PRO 45 14.486 -14.352 -2.937 321 HD2 PRO 45 1HD PRO 45 14.256 -11.697 -2.718 322 HD3 PRO 45 2HD PRO 45 15.076 -12.436 -4.111 323 H VAL 46 H VAL 46 10.461 -11.752 -6.254 324 HA VAL 46 HA VAL 46 8.205 -12.778 -4.722 325 HB VAL 46 HB VAL 46 8.617 -9.793 -5.005 326 HG11 VAL 46 1HG1 VAL 46 6.691 -9.571 -3.583 327 HG12 VAL 46 2HG1 VAL 46 6.592 -11.319 -3.375 328 HG13 VAL 46 3HG1 VAL 46 6.273 -10.600 -4.953 329 HG21 VAL 46 3HG2 VAL 46 8.907 -9.803 -2.528 330 HG22 VAL 46 1HG2 VAL 46 10.238 -10.548 -3.412 331 HG23 VAL 46 2HG2 VAL 46 9.043 -11.559 -2.599 332 HA PRO 47 HA PRO 47 6.520 -12.330 -8.844 333 HB2 PRO 47 1HB PRO 47 4.156 -13.494 -8.441 334 HB3 PRO 47 2HB PRO 47 5.653 -14.430 -8.350 335 HG2 PRO 47 1HG PRO 47 3.935 -13.382 -6.147 336 HG3 PRO 47 2HG PRO 47 4.804 -14.922 -6.255 337 HD2 PRO 47 1HD PRO 47 5.677 -12.646 -4.889 338 HD3 PRO 47 2HD PRO 47 6.691 -14.023 -5.361 339 H GLU 48 H GLU 48 6.344 -9.986 -7.072 340 HA GLU 48 HA GLU 48 3.688 -8.998 -7.008 341 HB2 GLU 48 1HB GLU 48 4.693 -6.840 -6.461 342 HB3 GLU 48 2HB GLU 48 5.416 -8.132 -5.513 343 HG2 GLU 48 1HG GLU 48 7.247 -6.880 -6.122 344 HG3 GLU 48 2HG GLU 48 7.235 -8.139 -7.353 345 H ASP 49 H ASP 49 5.949 -9.294 -9.559 346 HA ASP 49 HA ASP 49 5.046 -7.064 -11.115 347 HB2 ASP 49 1HB ASP 49 7.285 -8.570 -11.194 348 HB3 ASP 49 2HB ASP 49 6.367 -9.340 -12.485 349 H GLN 50 H GLN 50 3.599 -10.024 -10.408 350 HA GLN 50 HA GLN 50 2.015 -9.911 -12.891 351 HB2 GLN 50 1HB GLN 50 3.460 -11.970 -12.553 352 HB3 GLN 50 2HB GLN 50 2.418 -12.370 -11.192 353 HG2 GLN 50 1HG GLN 50 0.504 -12.128 -12.939 354 HG3 GLN 50 2HG GLN 50 1.802 -12.356 -14.111 355 HE21 GLN 50 2HE2 GLN 50 0.239 -13.792 -11.295 356 HE22 GLN 50 1HE2 GLN 50 0.625 -15.429 -11.689 357 H SER 51 H SER 51 0.295 -8.705 -12.255 358 HA SER 51 HA SER 51 -1.721 -9.934 -10.692 359 HB2 SER 51 1HB SER 51 0.154 -8.313 -9.230 360 HB3 SER 51 2HB SER 51 -1.431 -7.542 -9.201 361 HG SER 51 HG SER 51 -1.418 -8.952 -7.519 362 H VAL 52 H VAL 52 -1.557 -8.842 -13.280 363 HA VAL 52 HA VAL 52 -2.723 -7.576 -14.751 364 HB VAL 52 HB VAL 52 -4.550 -6.980 -12.417 365 HG11 VAL 52 1HG1 VAL 52 -5.758 -7.064 -15.049 366 HG12 VAL 52 2HG1 VAL 52 -4.507 -5.826 -14.939 367 HG13 VAL 52 3HG1 VAL 52 -5.854 -5.823 -13.800 368 HG21 VAL 52 3HG2 VAL 52 -5.246 -8.985 -14.491 369 HG22 VAL 52 1HG2 VAL 52 -5.664 -8.929 -12.778 370 HG23 VAL 52 2HG2 VAL 52 -4.054 -9.446 -13.275 371 H GLU 53 H GLU 53 -3.573 -5.474 -12.036 372 HA GLU 53 HA GLU 53 -1.759 -3.429 -13.136 373 HB2 GLU 53 1HB GLU 53 -4.393 -2.761 -11.839 374 HB3 GLU 53 2HB GLU 53 -3.366 -1.729 -12.823 375 HG2 GLU 53 1HG GLU 53 -3.869 -3.493 -14.682 376 HG3 GLU 53 2HG GLU 53 -5.253 -3.877 -13.660 377 H VAL 54 H VAL 54 -2.563 -5.225 -10.383 378 HA VAL 54 HA VAL 54 -1.423 -3.202 -8.584 379 HB VAL 54 HB VAL 54 -2.322 -4.520 -6.725 380 HG11 VAL 54 1HG1 VAL 54 -4.238 -3.704 -8.894 381 HG12 VAL 54 2HG1 VAL 54 -3.741 -2.794 -7.466 382 HG13 VAL 54 3HG1 VAL 54 -4.777 -4.210 -7.293 383 HG21 VAL 54 3HG2 VAL 54 -3.332 -6.342 -8.904 384 HG22 VAL 54 1HG2 VAL 54 -3.952 -6.359 -7.254 385 HG23 VAL 54 2HG2 VAL 54 -2.261 -6.748 -7.565 386 H ASP 55 H ASP 55 -0.138 -4.226 -6.712 387 HA ASP 55 HA ASP 55 1.479 -6.510 -7.538 388 HB2 ASP 55 1HB ASP 55 3.586 -5.316 -7.254 389 HB3 ASP 55 2HB ASP 55 2.612 -4.530 -8.491 390 H ARG 56 H ARG 56 2.826 -7.360 -5.812 391 HA ARG 56 HA ARG 56 1.610 -6.900 -3.191 392 HB2 ARG 56 1HB ARG 56 2.441 -9.214 -4.543 393 HB3 ARG 56 2HB ARG 56 3.607 -8.997 -3.245 394 HG2 ARG 56 1HG ARG 56 1.714 -10.436 -2.613 395 HG3 ARG 56 2HG ARG 56 1.849 -8.999 -1.599 396 HD2 ARG 56 1HD ARG 56 -0.094 -8.118 -2.355 397 HD3 ARG 56 2HD ARG 56 0.137 -8.743 -3.986 398 HE ARG 56 HE ARG 56 -0.418 -10.848 -2.167 399 HH11 ARG 56 1HH1 ARG 56 -1.956 -8.221 -3.896 400 HH12 ARG 56 2HH1 ARG 56 -3.504 -8.995 -3.947 401 HH21 ARG 56 1HH2 ARG 56 -2.467 -11.867 -2.237 402 HH22 ARG 56 2HH2 ARG 56 -3.795 -11.063 -3.006 403 H VAL 57 H VAL 57 2.659 -6.042 -1.504 404 HA VAL 57 HA VAL 57 5.547 -5.526 -1.769 405 HB VAL 57 HB VAL 57 5.116 -3.351 -0.530 406 HG11 VAL 57 1HG1 VAL 57 4.064 -2.339 -2.769 407 HG12 VAL 57 2HG1 VAL 57 4.502 -3.942 -3.364 408 HG13 VAL 57 3HG1 VAL 57 5.733 -2.893 -2.661 409 HG21 VAL 57 3HG2 VAL 57 2.809 -3.908 0.179 410 HG22 VAL 57 1HG2 VAL 57 2.293 -3.788 -1.502 411 HG23 VAL 57 2HG2 VAL 57 2.917 -2.365 -0.668 412 H LYS 58 H LYS 58 6.538 -4.903 0.375 413 HA LYS 58 HA LYS 58 5.330 -6.487 2.554 414 HB2 LYS 58 1HB LYS 58 8.238 -6.035 1.869 415 HB3 LYS 58 2HB LYS 58 7.693 -6.771 3.369 416 HG2 LYS 58 1HG LYS 58 6.762 -7.923 0.789 417 HG3 LYS 58 2HG LYS 58 8.414 -8.238 1.323 418 HD2 LYS 58 1HD LYS 58 7.451 -9.005 3.514 419 HD3 LYS 58 2HD LYS 58 5.854 -8.891 2.774 420 HE2 LYS 58 1HE LYS 58 6.487 -11.149 2.557 421 HE3 LYS 58 2HE LYS 58 6.735 -10.433 0.965 422 HZ1 LYS 58 3HZ LYS 58 8.971 -10.653 1.112 423 HZ2 LYS 58 1HZ LYS 58 8.557 -11.923 2.149 424 HZ3 LYS 58 2HZ LYS 58 9.017 -10.427 2.788 425 H VAL 59 H VAL 59 5.009 -5.509 4.477 426 HA VAL 59 HA VAL 59 5.778 -2.687 4.682 427 HB VAL 59 HB VAL 59 4.108 -2.562 6.529 428 HG11 VAL 59 1HG1 VAL 59 3.367 -1.783 4.447 429 HG12 VAL 59 2HG1 VAL 59 2.096 -2.872 5.004 430 HG13 VAL 59 3HG1 VAL 59 3.249 -3.410 3.781 431 HG21 VAL 59 3HG2 VAL 59 3.321 -4.415 7.460 432 HG22 VAL 59 1HG2 VAL 59 4.157 -5.404 6.263 433 HG23 VAL 59 2HG2 VAL 59 2.525 -4.824 5.941 434 H LEU 60 H LEU 60 7.163 -1.958 6.156 435 HA LEU 60 HA LEU 60 8.267 -3.911 8.060 436 HB2 LEU 60 1HB LEU 60 9.464 -2.018 6.293 437 HB3 LEU 60 2HB LEU 60 9.850 -1.548 7.936 438 HG LEU 60 HG LEU 60 11.588 -2.973 6.972 439 HD11 LEU 60 1HD1 LEU 60 9.994 -4.116 9.250 440 HD12 LEU 60 2HD1 LEU 60 11.427 -3.091 9.320 441 HD13 LEU 60 3HD1 LEU 60 11.563 -4.758 8.762 442 HD21 LEU 60 3HD2 LEU 60 9.851 -5.374 7.038 443 HD22 LEU 60 1HD2 LEU 60 11.241 -5.004 6.018 444 HD23 LEU 60 2HD2 LEU 60 9.672 -4.284 5.662 445 H ARG 61 H ARG 61 7.417 -3.744 10.027 446 HA ARG 61 HA ARG 61 7.001 -1.048 11.143 447 HB2 ARG 61 1HB ARG 61 4.990 -2.814 10.569 448 HB3 ARG 61 2HB ARG 61 5.314 -3.190 12.255 449 HG2 ARG 61 1HG ARG 61 3.590 -1.567 12.210 450 HG3 ARG 61 2HG ARG 61 5.056 -0.754 12.761 451 HD2 ARG 61 1HD ARG 61 4.704 0.762 11.170 452 HD3 ARG 61 2HD ARG 61 5.100 -0.488 9.993 453 HE ARG 61 HE ARG 61 2.876 -0.657 9.452 454 HH11 ARG 61 1HH1 ARG 61 3.176 1.212 12.401 455 HH12 ARG 61 2HH1 ARG 61 1.526 1.732 12.384 456 HH21 ARG 61 1HH2 ARG 61 0.697 0.032 9.439 457 HH22 ARG 61 2HH2 ARG 61 0.118 1.064 10.703 458 H LEU 62 H LEU 62 9.346 -2.794 11.356 459 HA LEU 62 HA LEU 62 9.861 -2.522 14.114 460 HB2 LEU 62 1HB LEU 62 8.348 -4.675 13.838 461 HB3 LEU 62 2HB LEU 62 9.869 -5.415 13.378 462 HG LEU 62 HG LEU 62 10.765 -4.439 15.607 463 HD11 LEU 62 1HD1 LEU 62 7.852 -3.952 15.810 464 HD12 LEU 62 2HD1 LEU 62 9.204 -3.070 16.517 465 HD13 LEU 62 3HD1 LEU 62 8.664 -4.584 17.241 466 HD21 LEU 62 3HD2 LEU 62 10.396 -6.478 16.623 467 HD22 LEU 62 1HD2 LEU 62 10.124 -6.870 14.925 468 HD23 LEU 62 2HD2 LEU 62 8.751 -6.611 15.999 469 H ILE 63 H ILE 63 12.044 -2.939 14.652 470 HA ILE 63 HA ILE 63 13.819 -4.154 12.748 471 HB ILE 63 HB ILE 63 13.542 -1.942 11.717 472 HG12 ILE 63 1HG1 ILE 63 16.296 -2.004 12.931 473 HG13 ILE 63 2HG1 ILE 63 15.774 -3.254 11.807 474 HG21 ILE 63 1HG2 ILE 63 14.893 -0.139 13.251 475 HG22 ILE 63 2HG2 ILE 63 13.983 -1.039 14.465 476 HG23 ILE 63 3HG2 ILE 63 13.138 -0.256 13.130 477 HD11 ILE 63 3HD1 ILE 63 15.409 -1.598 10.088 478 HD12 ILE 63 1HD1 ILE 63 17.052 -1.474 10.717 479 HD13 ILE 63 2HD1 ILE 63 15.827 -0.306 11.213 480 H LYS 64 H LYS 64 15.943 -4.446 13.541 481 HA LYS 64 HA LYS 64 16.308 -3.819 16.395 482 HB2 LYS 64 1HB LYS 64 17.573 -6.035 16.506 483 HB3 LYS 64 2HB LYS 64 15.820 -6.117 16.420 484 HG2 LYS 64 1HG LYS 64 16.201 -6.377 13.869 485 HG3 LYS 64 2HG LYS 64 17.850 -6.803 14.334 486 HD2 LYS 64 1HD LYS 64 17.229 -8.805 15.143 487 HD3 LYS 64 2HD LYS 64 15.772 -8.156 15.896 488 HE2 LYS 64 1HE LYS 64 14.759 -9.406 14.304 489 HE3 LYS 64 2HE LYS 64 15.047 -7.966 13.328 490 HZ1 LYS 64 3HZ LYS 64 16.787 -10.374 13.425 491 HZ2 LYS 64 1HZ LYS 64 17.083 -8.988 12.498 492 HZ3 LYS 64 2HZ LYS 64 15.738 -9.959 12.164 493 H GLY 65 H GLY 65 17.964 -4.691 13.360 494 HA2 GLY 65 1HA GLY 65 19.880 -2.668 13.503 495 HA3 GLY 65 2HA GLY 65 20.579 -4.094 14.252 496 H GLY 66 H GLY 66 19.569 -6.120 12.678 497 HA2 GLY 66 1HA GLY 66 19.367 -6.269 10.090 498 HA3 GLY 66 2HA GLY 66 21.001 -5.624 10.157 Start of MODEL 10 1 H1 MET 1 1H MET 1 -5.085 0.853 -4.838 2 H2 MET 1 2H MET 1 -5.996 2.020 -3.973 3 H3 MET 1 3H MET 1 -6.555 1.448 -5.489 4 HA MET 1 HA MET 1 -7.647 0.545 -3.447 5 HB2 MET 1 1HB MET 1 -7.233 -0.437 -5.947 6 HB3 MET 1 2HB MET 1 -6.538 -1.731 -4.983 7 HG2 MET 1 1HG MET 1 -8.871 -1.345 -3.681 8 HG3 MET 1 2HG MET 1 -9.336 -0.916 -5.327 9 HE1 MET 1 3HE MET 1 -10.301 -4.684 -4.086 10 HE2 MET 1 1HE MET 1 -11.119 -3.476 -5.079 11 HE3 MET 1 2HE MET 1 -10.467 -3.027 -3.503 12 H ASN 2 H ASN 2 -7.456 -1.650 -2.230 13 HA ASN 2 HA ASN 2 -5.046 -1.499 -0.642 14 HB2 ASN 2 1HB ASN 2 -7.571 -3.132 -0.355 15 HB3 ASN 2 2HB ASN 2 -6.208 -3.256 0.750 16 HD21 ASN 2 2HD2 ASN 2 -7.698 -2.620 2.406 17 HD22 ASN 2 1HD2 ASN 2 -8.091 -0.950 2.621 18 H VAL 3 H VAL 3 -3.584 -3.154 -0.293 19 HA VAL 3 HA VAL 3 -3.728 -5.484 -2.074 20 HB VAL 3 HB VAL 3 -2.258 -3.833 -3.144 21 HG11 VAL 3 1HG1 VAL 3 -0.017 -3.402 -2.006 22 HG12 VAL 3 2HG1 VAL 3 -0.805 -3.922 -0.517 23 HG13 VAL 3 3HG1 VAL 3 -1.414 -2.520 -1.393 24 HG21 VAL 3 3HG2 VAL 3 -1.523 -6.508 -2.401 25 HG22 VAL 3 1HG2 VAL 3 -0.083 -5.511 -2.594 26 HG23 VAL 3 2HG2 VAL 3 -1.245 -5.650 -3.914 27 H THR 4 H THR 4 -2.947 -7.379 -1.228 28 HA THR 4 HA THR 4 -2.623 -7.484 1.616 29 HB THR 4 HB THR 4 -1.980 -9.815 -0.153 30 HG1 THR 4 HG1 THR 4 -4.590 -8.799 0.303 31 HG21 THR 4 3HG2 THR 4 -2.266 -9.634 2.526 32 HG22 THR 4 1HG2 THR 4 -2.542 -11.100 1.586 33 HG23 THR 4 2HG2 THR 4 -3.903 -10.074 2.040 34 H VAL 5 H VAL 5 -0.805 -6.951 2.593 35 HA VAL 5 HA VAL 5 1.758 -7.615 1.292 36 HB VAL 5 HB VAL 5 2.718 -5.719 2.637 37 HG11 VAL 5 1HG1 VAL 5 0.665 -4.462 0.926 38 HG12 VAL 5 2HG1 VAL 5 1.657 -5.713 0.175 39 HG13 VAL 5 3HG1 VAL 5 2.421 -4.301 0.903 40 HG21 VAL 5 3HG2 VAL 5 -0.197 -5.095 3.101 41 HG22 VAL 5 1HG2 VAL 5 1.136 -3.992 3.434 42 HG23 VAL 5 2HG2 VAL 5 1.000 -5.506 4.328 43 H GLU 6 H GLU 6 3.251 -8.736 2.434 44 HA GLU 6 HA GLU 6 2.414 -9.932 4.926 45 HB2 GLU 6 1HB GLU 6 4.833 -10.280 3.159 46 HB3 GLU 6 2HB GLU 6 4.689 -11.086 4.714 47 HG2 GLU 6 1HG GLU 6 3.226 -12.598 3.943 48 HG3 GLU 6 2HG GLU 6 2.369 -11.418 2.954 49 H VAL 7 H VAL 7 2.710 -8.944 6.804 50 HA VAL 7 HA VAL 7 4.778 -6.914 7.100 51 HB VAL 7 HB VAL 7 2.797 -7.795 9.199 52 HG11 VAL 7 1HG1 VAL 7 4.264 -6.470 10.329 53 HG12 VAL 7 2HG1 VAL 7 3.181 -5.224 9.706 54 HG13 VAL 7 3HG1 VAL 7 4.713 -5.548 8.893 55 HG21 VAL 7 3HG2 VAL 7 2.061 -5.334 7.919 56 HG22 VAL 7 1HG2 VAL 7 1.118 -6.809 8.129 57 HG23 VAL 7 2HG2 VAL 7 2.168 -6.627 6.724 58 H VAL 8 H VAL 8 6.650 -7.209 8.163 59 HA VAL 8 HA VAL 8 7.375 -9.832 9.059 60 HB VAL 8 HB VAL 8 8.931 -7.276 9.477 61 HG11 VAL 8 1HG1 VAL 8 9.516 -10.166 9.798 62 HG12 VAL 8 2HG1 VAL 8 10.095 -8.780 10.723 63 HG13 VAL 8 3HG1 VAL 8 10.798 -9.144 9.147 64 HG21 VAL 8 3HG2 VAL 8 8.503 -8.932 7.054 65 HG22 VAL 8 1HG2 VAL 8 10.140 -8.348 7.357 66 HG23 VAL 8 2HG2 VAL 8 8.807 -7.202 7.208 67 H GLY 9 H GLY 9 6.991 -10.676 10.994 68 HA2 GLY 9 1HA GLY 9 7.081 -10.757 13.347 69 HA3 GLY 9 2HA GLY 9 7.121 -8.994 13.384 70 H GLU 10 H GLU 10 4.937 -8.231 12.027 71 HA GLU 10 HA GLU 10 2.782 -9.107 13.778 72 HB2 GLU 10 1HB GLU 10 3.526 -6.651 12.530 73 HB3 GLU 10 2HB GLU 10 1.923 -7.089 11.958 74 HG2 GLU 10 1HG GLU 10 2.290 -7.394 14.846 75 HG3 GLU 10 2HG GLU 10 2.460 -5.740 14.258 76 H GLU 11 H GLU 11 0.580 -9.383 12.845 77 HA GLU 11 HA GLU 11 0.495 -11.465 10.987 78 HB2 GLU 11 1HB GLU 11 -1.483 -9.716 12.319 79 HB3 GLU 11 2HB GLU 11 -2.032 -10.498 10.844 80 HG2 GLU 11 1HG GLU 11 -0.651 -12.211 12.815 81 HG3 GLU 11 2HG GLU 11 -2.246 -11.606 13.261 82 H THR 12 H THR 12 -1.272 -11.153 9.040 83 HA THR 12 HA THR 12 0.032 -9.231 7.251 84 HB THR 12 HB THR 12 -1.849 -11.453 6.451 85 HG1 THR 12 HG1 THR 12 -0.237 -12.827 6.520 86 HG21 THR 12 3HG2 THR 12 -1.422 -10.908 4.351 87 HG22 THR 12 1HG2 THR 12 0.315 -10.871 4.647 88 HG23 THR 12 2HG2 THR 12 -0.662 -9.436 4.953 89 H SER 13 H SER 13 -0.960 -7.463 6.558 90 HA SER 13 HA SER 13 -3.896 -7.319 6.686 91 HB2 SER 13 1HB SER 13 -3.013 -6.128 8.631 92 HB3 SER 13 2HB SER 13 -1.960 -5.169 7.589 93 HG SER 13 HG SER 13 -4.793 -5.139 7.709 94 H GLU 14 H GLU 14 -4.810 -5.557 5.348 95 HA GLU 14 HA GLU 14 -3.392 -5.418 2.801 96 HB2 GLU 14 1HB GLU 14 -6.209 -4.514 3.419 97 HB3 GLU 14 2HB GLU 14 -5.501 -4.760 1.831 98 HG2 GLU 14 1HG GLU 14 -6.682 -6.684 2.018 99 HG3 GLU 14 2HG GLU 14 -5.165 -7.213 2.743 100 H VAL 15 H VAL 15 -2.688 -3.565 1.857 101 HA VAL 15 HA VAL 15 -3.187 -1.032 3.273 102 HB VAL 15 HB VAL 15 -0.853 -0.339 2.765 103 HG11 VAL 15 1HG1 VAL 15 -1.623 -2.434 4.681 104 HG12 VAL 15 2HG1 VAL 15 -0.848 -0.872 4.951 105 HG13 VAL 15 3HG1 VAL 15 0.111 -2.252 4.417 106 HG21 VAL 15 3HG2 VAL 15 -0.603 -3.211 1.899 107 HG22 VAL 15 1HG2 VAL 15 0.783 -2.208 2.322 108 HG23 VAL 15 2HG2 VAL 15 -0.249 -1.758 0.964 109 H ALA 16 H ALA 16 -3.150 0.864 1.980 110 HA ALA 16 HA ALA 16 -3.941 0.393 -0.760 111 HB1 ALA 16 3HB ALA 16 -4.009 2.757 1.070 112 HB2 ALA 16 1HB ALA 16 -5.334 1.948 0.232 113 HB3 ALA 16 2HB ALA 16 -4.216 2.973 -0.668 114 H VAL 17 H VAL 17 -2.686 0.614 -2.492 115 HA VAL 17 HA VAL 17 -0.097 1.998 -2.180 116 HB VAL 17 HB VAL 17 0.673 0.528 -4.094 117 HG11 VAL 17 1HG1 VAL 17 0.908 -1.507 -2.556 118 HG12 VAL 17 2HG1 VAL 17 0.010 -0.554 -1.373 119 HG13 VAL 17 3HG1 VAL 17 1.556 0.032 -1.986 120 HG21 VAL 17 3HG2 VAL 17 -1.916 -0.145 -4.384 121 HG22 VAL 17 1HG2 VAL 17 -1.365 -1.486 -3.381 122 HG23 VAL 17 2HG2 VAL 17 -0.581 -1.161 -4.926 123 H ASP 18 H ASP 18 0.801 2.958 -4.142 124 HA ASP 18 HA ASP 18 -1.225 4.446 -5.578 125 HB2 ASP 18 1HB ASP 18 1.753 4.641 -5.295 126 HB3 ASP 18 2HB ASP 18 0.944 5.491 -6.607 127 H ASP 19 H ASP 19 1.100 1.903 -6.221 128 HA ASP 19 HA ASP 19 1.276 1.938 -8.979 129 HB2 ASP 19 1HB ASP 19 1.946 0.135 -6.919 130 HB3 ASP 19 2HB ASP 19 0.967 -0.783 -8.059 131 H ASP 20 H ASP 20 -1.372 0.894 -6.950 132 HA ASP 20 HA ASP 20 -2.890 -0.642 -8.661 133 HB2 ASP 20 1HB ASP 20 -3.250 0.564 -6.166 134 HB3 ASP 20 2HB ASP 20 -4.559 1.197 -7.159 135 H GLY 21 H GLY 21 -2.707 2.900 -8.464 136 HA2 GLY 21 1HA GLY 21 -3.207 4.486 -10.064 137 HA3 GLY 21 2HA GLY 21 -3.513 3.175 -11.199 138 H THR 22 H THR 22 -5.207 3.299 -8.146 139 HA THR 22 HA THR 22 -7.710 3.682 -9.605 140 HB THR 22 HB THR 22 -8.791 2.887 -7.530 141 HG1 THR 22 HG1 THR 22 -7.632 3.287 -5.818 142 HG21 THR 22 3HG2 THR 22 -6.508 1.075 -8.273 143 HG22 THR 22 1HG2 THR 22 -8.019 1.212 -9.173 144 HG23 THR 22 2HG2 THR 22 -8.031 0.614 -7.513 145 H TYR 23 H TYR 23 -9.453 4.808 -8.059 146 HA TYR 23 HA TYR 23 -8.878 7.540 -8.048 147 HB2 TYR 23 1HB TYR 23 -11.082 5.827 -7.146 148 HB3 TYR 23 2HB TYR 23 -10.925 7.315 -6.220 149 HD1 TYR 23 HD1 TYR 23 -10.928 6.179 -9.786 150 HD2 TYR 23 HD2 TYR 23 -12.055 9.177 -6.983 151 HE1 TYR 23 HE1 TYR 23 -12.091 7.404 -11.572 152 HE2 TYR 23 HE2 TYR 23 -13.221 10.408 -8.762 153 HH TYR 23 HH TYR 23 -12.732 10.120 -11.825 154 H ALA 24 H ALA 24 -8.490 5.126 -5.525 155 HA ALA 24 HA ALA 24 -8.203 6.753 -3.285 156 HB1 ALA 24 3HB ALA 24 -7.483 4.897 -2.198 157 HB2 ALA 24 1HB ALA 24 -6.395 4.417 -3.500 158 HB3 ALA 24 2HB ALA 24 -8.126 4.111 -3.641 159 H ASP 25 H ASP 25 -5.886 5.975 -5.832 160 HA ASP 25 HA ASP 25 -3.538 6.915 -4.638 161 HB2 ASP 25 1HB ASP 25 -3.788 5.641 -6.834 162 HB3 ASP 25 2HB ASP 25 -4.202 7.180 -7.577 163 H LEU 26 H LEU 26 -5.999 8.622 -6.544 164 HA LEU 26 HA LEU 26 -4.767 11.124 -6.703 165 HB2 LEU 26 1HB LEU 26 -7.075 10.089 -7.639 166 HB3 LEU 26 2HB LEU 26 -7.708 11.064 -6.328 167 HG LEU 26 HG LEU 26 -7.795 12.308 -8.401 168 HD11 LEU 26 1HD1 LEU 26 -6.763 14.319 -7.702 169 HD12 LEU 26 2HD1 LEU 26 -5.547 13.453 -6.765 170 HD13 LEU 26 3HD1 LEU 26 -7.228 13.456 -6.236 171 HD21 LEU 26 3HD2 LEU 26 -6.126 12.493 -9.913 172 HD22 LEU 26 1HD2 LEU 26 -5.604 10.976 -9.179 173 HD23 LEU 26 2HD2 LEU 26 -4.860 12.497 -8.685 174 H VAL 27 H VAL 27 -6.928 9.794 -4.217 175 HA VAL 27 HA VAL 27 -6.976 12.151 -2.626 176 HB VAL 27 HB VAL 27 -7.485 9.325 -1.681 177 HG11 VAL 27 1HG1 VAL 27 -8.247 12.034 -0.617 178 HG12 VAL 27 2HG1 VAL 27 -7.279 10.788 0.170 179 HG13 VAL 27 3HG1 VAL 27 -9.006 10.536 -0.080 180 HG21 VAL 27 3HG2 VAL 27 -9.795 11.018 -2.334 181 HG22 VAL 27 1HG2 VAL 27 -9.520 9.303 -2.637 182 HG23 VAL 27 2HG2 VAL 27 -8.841 10.512 -3.727 183 H ARG 28 H ARG 28 -5.096 9.133 -2.450 184 HA ARG 28 HA ARG 28 -3.692 9.687 -0.094 185 HB2 ARG 28 1HB ARG 28 -3.792 7.500 -1.417 186 HB3 ARG 28 2HB ARG 28 -2.525 8.180 -2.429 187 HG2 ARG 28 1HG ARG 28 -0.967 7.615 -0.963 188 HG3 ARG 28 2HG ARG 28 -1.816 8.442 0.343 189 HD2 ARG 28 1HD ARG 28 -3.008 6.531 0.940 190 HD3 ARG 28 2HD ARG 28 -2.714 5.747 -0.611 191 HE ARG 28 HE ARG 28 -1.017 5.707 1.703 192 HH11 ARG 28 1HH1 ARG 28 -1.078 5.413 -1.788 193 HH12 ARG 28 2HH1 ARG 28 0.376 4.475 -1.856 194 HH21 ARG 28 1HH2 ARG 28 0.896 4.472 1.607 195 HH22 ARG 28 2HH2 ARG 28 1.499 3.939 0.073 196 H ALA 29 H ALA 29 -3.095 10.680 -3.424 197 HA ALA 29 HA ALA 29 -0.490 11.621 -3.237 198 HB1 ALA 29 3HB ALA 29 -1.703 11.442 -5.347 199 HB2 ALA 29 1HB ALA 29 -1.028 13.058 -5.136 200 HB3 ALA 29 2HB ALA 29 -2.748 12.780 -4.865 201 H VAL 30 H VAL 30 -3.415 13.001 -1.927 202 HA VAL 30 HA VAL 30 -2.155 15.581 -1.430 203 HB VAL 30 HB VAL 30 -4.890 14.706 -0.510 204 HG11 VAL 30 1HG1 VAL 30 -3.394 17.035 -0.099 205 HG12 VAL 30 2HG1 VAL 30 -5.103 16.781 0.254 206 HG13 VAL 30 3HG1 VAL 30 -4.615 17.460 -1.300 207 HG21 VAL 30 3HG2 VAL 30 -3.946 15.461 -3.218 208 HG22 VAL 30 1HG2 VAL 30 -5.487 16.129 -2.681 209 HG23 VAL 30 2HG2 VAL 30 -5.254 14.381 -2.732 210 H ASP 31 H ASP 31 -1.296 12.993 -0.083 211 HA ASP 31 HA ASP 31 -0.501 12.348 1.929 212 HB2 ASP 31 1HB ASP 31 -0.016 14.963 1.933 213 HB3 ASP 31 2HB ASP 31 -1.193 14.934 3.242 214 H LEU 32 H LEU 32 -2.998 11.502 1.406 215 HA LEU 32 HA LEU 32 -4.383 11.760 3.994 216 HB2 LEU 32 1HB LEU 32 -5.420 11.658 1.204 217 HB3 LEU 32 2HB LEU 32 -6.368 10.883 2.458 218 HG LEU 32 HG LEU 32 -6.110 13.184 3.687 219 HD11 LEU 32 1HD1 LEU 32 -6.222 14.426 1.035 220 HD12 LEU 32 2HD1 LEU 32 -4.639 13.797 1.487 221 HD13 LEU 32 3HD1 LEU 32 -5.444 14.976 2.519 222 HD21 LEU 32 3HD2 LEU 32 -8.224 13.816 2.872 223 HD22 LEU 32 1HD2 LEU 32 -8.177 12.059 2.732 224 HD23 LEU 32 2HD2 LEU 32 -7.935 13.065 1.304 225 H SER 33 H SER 33 -2.369 9.982 3.890 226 HA SER 33 HA SER 33 -3.544 7.366 3.286 227 HB2 SER 33 1HB SER 33 -1.281 7.826 2.417 228 HB3 SER 33 2HB SER 33 -0.706 8.097 4.062 229 HG SER 33 HG SER 33 -0.265 6.032 3.890 230 HA PRO 34 HA PRO 34 -4.266 7.051 7.708 231 HB2 PRO 34 1HB PRO 34 -5.854 4.898 7.654 232 HB3 PRO 34 2HB PRO 34 -6.410 6.470 7.066 233 HG2 PRO 34 1HG PRO 34 -5.480 4.087 5.523 234 HG3 PRO 34 2HG PRO 34 -6.802 5.211 5.162 235 HD2 PRO 34 1HD PRO 34 -4.273 5.306 4.027 236 HD3 PRO 34 2HD PRO 34 -5.415 6.662 4.088 237 H HIS 35 H HIS 35 -3.169 4.335 5.702 238 HA HIS 35 HA HIS 35 -2.288 2.790 7.966 239 HB2 HIS 35 1HB HIS 35 -1.910 2.435 4.988 240 HB3 HIS 35 2HB HIS 35 -1.267 1.318 6.186 241 HD1 HIS 35 HD1 HIS 35 -3.583 0.836 3.951 242 HD2 HIS 35 HD2 HIS 35 -4.054 1.240 8.056 243 HE1 HIS 35 HE1 HIS 35 -5.752 -0.312 4.492 244 HE2 HIS 35 HE2 HIS 35 -5.980 -0.122 6.993 245 H GLU 36 H GLU 36 -0.747 4.758 5.454 246 HA GLU 36 HA GLU 36 1.374 5.543 5.193 247 HB2 GLU 36 1HB GLU 36 1.327 5.606 8.215 248 HB3 GLU 36 2HB GLU 36 2.378 6.550 7.170 249 HG2 GLU 36 1HG GLU 36 0.788 8.069 6.717 250 HG3 GLU 36 2HG GLU 36 -0.500 6.866 6.672 251 H VAL 37 H VAL 37 1.771 3.197 4.518 252 HA VAL 37 HA VAL 37 3.932 2.087 6.191 253 HB VAL 37 HB VAL 37 3.351 -0.156 5.286 254 HG11 VAL 37 1HG1 VAL 37 1.134 1.230 6.793 255 HG12 VAL 37 2HG1 VAL 37 2.591 0.529 7.501 256 HG13 VAL 37 3HG1 VAL 37 1.400 -0.511 6.719 257 HG21 VAL 37 3HG2 VAL 37 0.704 0.958 4.439 258 HG22 VAL 37 1HG2 VAL 37 1.461 -0.577 4.007 259 HG23 VAL 37 2HG2 VAL 37 2.063 0.929 3.315 260 H THR 38 H THR 38 5.700 1.127 5.101 261 HA THR 38 HA THR 38 6.191 2.276 2.463 262 HB THR 38 HB THR 38 8.266 0.674 3.886 263 HG1 THR 38 HG1 THR 38 7.359 3.220 4.745 264 HG21 THR 38 3HG2 THR 38 9.699 1.803 2.632 265 HG22 THR 38 1HG2 THR 38 8.964 3.351 3.042 266 HG23 THR 38 2HG2 THR 38 8.304 2.382 1.724 267 H VAL 39 H VAL 39 5.931 1.126 0.671 268 HA VAL 39 HA VAL 39 5.597 -1.762 0.856 269 HB VAL 39 HB VAL 39 4.927 -1.602 -1.549 270 HG11 VAL 39 1HG1 VAL 39 2.786 -1.152 -0.972 271 HG12 VAL 39 2HG1 VAL 39 3.203 0.350 -0.149 272 HG13 VAL 39 3HG1 VAL 39 3.470 -1.198 0.652 273 HG21 VAL 39 3HG2 VAL 39 4.587 0.491 -2.609 274 HG22 VAL 39 1HG2 VAL 39 6.229 0.521 -1.969 275 HG23 VAL 39 2HG2 VAL 39 4.940 1.380 -1.128 276 H LEU 40 H LEU 40 7.006 -3.235 0.132 277 HA LEU 40 HA LEU 40 9.519 -2.262 -1.025 278 HB2 LEU 40 1HB LEU 40 8.751 -4.627 0.618 279 HB3 LEU 40 2HB LEU 40 10.126 -4.773 -0.461 280 HG LEU 40 HG LEU 40 10.737 -4.199 1.875 281 HD11 LEU 40 1HD1 LEU 40 11.428 -1.974 -0.027 282 HD12 LEU 40 2HD1 LEU 40 12.125 -3.591 -0.122 283 HD13 LEU 40 3HD1 LEU 40 12.394 -2.598 1.310 284 HD21 LEU 40 3HD2 LEU 40 9.298 -1.621 1.261 285 HD22 LEU 40 1HD2 LEU 40 10.347 -1.890 2.651 286 HD23 LEU 40 2HD2 LEU 40 8.853 -2.812 2.483 287 H VAL 41 H VAL 41 10.203 -2.869 -3.010 288 HA VAL 41 HA VAL 41 8.412 -4.590 -4.589 289 HB VAL 41 HB VAL 41 10.649 -2.924 -5.731 290 HG11 VAL 41 1HG1 VAL 41 8.021 -3.694 -6.970 291 HG12 VAL 41 2HG1 VAL 41 9.450 -4.725 -7.056 292 HG13 VAL 41 3HG1 VAL 41 9.480 -3.112 -7.771 293 HG21 VAL 41 3HG2 VAL 41 8.519 -1.376 -6.236 294 HG22 VAL 41 1HG2 VAL 41 9.566 -1.142 -4.837 295 HG23 VAL 41 2HG2 VAL 41 8.043 -2.015 -4.664 296 H ASP 42 H ASP 42 9.108 -6.565 -5.263 297 HA ASP 42 HA ASP 42 11.447 -7.689 -4.195 298 HB2 ASP 42 1HB ASP 42 10.943 -9.634 -5.625 299 HB3 ASP 42 2HB ASP 42 9.519 -9.074 -4.759 300 H GLY 43 H GLY 43 13.434 -7.428 -4.783 301 HA2 GLY 43 1HA GLY 43 15.184 -6.491 -5.979 302 HA3 GLY 43 2HA GLY 43 14.833 -7.909 -6.940 303 H ARG 44 H ARG 44 12.847 -4.951 -6.775 304 HA ARG 44 HA ARG 44 13.714 -4.290 -9.502 305 HB2 ARG 44 1HB ARG 44 10.855 -4.456 -8.539 306 HB3 ARG 44 2HB ARG 44 11.348 -3.768 -10.078 307 HG2 ARG 44 1HG ARG 44 12.239 -6.528 -9.479 308 HG3 ARG 44 2HG ARG 44 10.526 -6.280 -9.821 309 HD2 ARG 44 1HD ARG 44 12.860 -5.559 -11.586 310 HD3 ARG 44 2HD ARG 44 11.671 -6.826 -11.863 311 HE ARG 44 HE ARG 44 10.056 -5.170 -12.360 312 HH11 ARG 44 1HH1 ARG 44 13.247 -3.816 -11.808 313 HH12 ARG 44 2HH1 ARG 44 12.888 -2.331 -12.620 314 HH21 ARG 44 1HH2 ARG 44 9.597 -3.208 -13.420 315 HH22 ARG 44 2HH2 ARG 44 10.820 -1.986 -13.530 316 HA PRO 45 HA PRO 45 14.317 -0.316 -7.503 317 HB2 PRO 45 1HB PRO 45 14.389 0.613 -10.330 318 HB3 PRO 45 2HB PRO 45 15.557 0.872 -9.029 319 HG2 PRO 45 1HG PRO 45 16.067 -0.847 -10.995 320 HG3 PRO 45 2HG PRO 45 16.547 -1.200 -9.325 321 HD2 PRO 45 1HD PRO 45 14.253 -2.282 -10.907 322 HD3 PRO 45 2HD PRO 45 15.307 -3.108 -9.744 323 H VAL 46 H VAL 46 12.382 -0.312 -10.519 324 HA VAL 46 HA VAL 46 10.067 0.720 -9.130 325 HB VAL 46 HB VAL 46 9.837 2.648 -10.790 326 HG11 VAL 46 1HG1 VAL 46 10.421 2.807 -8.331 327 HG12 VAL 46 2HG1 VAL 46 10.882 4.180 -9.337 328 HG13 VAL 46 3HG1 VAL 46 12.097 3.003 -8.842 329 HG21 VAL 46 3HG2 VAL 46 12.030 3.598 -11.555 330 HG22 VAL 46 1HG2 VAL 46 11.536 2.118 -12.375 331 HG23 VAL 46 2HG2 VAL 46 12.774 2.059 -11.121 332 HA PRO 47 HA PRO 47 8.080 -1.580 -12.354 333 HB2 PRO 47 1HB PRO 47 5.599 -0.495 -12.301 334 HB3 PRO 47 2HB PRO 47 6.204 -1.544 -11.010 335 HG2 PRO 47 1HG PRO 47 6.059 1.446 -11.108 336 HG3 PRO 47 2HG PRO 47 5.641 0.349 -9.780 337 HD2 PRO 47 1HD PRO 47 7.992 1.693 -9.882 338 HD3 PRO 47 2HD PRO 47 7.835 0.092 -9.132 339 H GLU 48 H GLU 48 9.530 -0.494 -13.947 340 HA GLU 48 HA GLU 48 8.710 1.837 -15.338 341 HB2 GLU 48 1HB GLU 48 10.490 -0.332 -16.444 342 HB3 GLU 48 2HB GLU 48 10.475 1.373 -16.871 343 HG2 GLU 48 1HG GLU 48 11.098 1.731 -14.374 344 HG3 GLU 48 2HG GLU 48 11.583 0.038 -14.442 345 H ASP 49 H ASP 49 8.125 -1.605 -15.811 346 HA ASP 49 HA ASP 49 6.744 -1.131 -18.326 347 HB2 ASP 49 1HB ASP 49 7.809 -3.475 -16.894 348 HB3 ASP 49 2HB ASP 49 6.295 -3.762 -17.746 349 H GLN 50 H GLN 50 5.966 -1.358 -14.977 350 HA GLN 50 HA GLN 50 4.018 -1.347 -13.822 351 HB2 GLN 50 1HB GLN 50 3.675 0.586 -15.461 352 HB3 GLN 50 2HB GLN 50 2.664 -0.520 -16.382 353 HG2 GLN 50 1HG GLN 50 1.846 -0.605 -13.659 354 HG3 GLN 50 2HG GLN 50 1.959 1.080 -14.165 355 HE21 GLN 50 2HE2 GLN 50 1.116 1.239 -16.611 356 HE22 GLN 50 1HE2 GLN 50 -0.476 0.600 -16.813 357 H SER 51 H SER 51 4.491 -3.778 -14.071 358 HA SER 51 HA SER 51 2.754 -5.296 -15.764 359 HB2 SER 51 1HB SER 51 5.082 -5.871 -14.526 360 HB3 SER 51 2HB SER 51 3.952 -6.591 -13.380 361 HG SER 51 HG SER 51 4.764 -7.553 -15.721 362 H VAL 52 H VAL 52 0.637 -5.408 -15.442 363 HA VAL 52 HA VAL 52 -1.384 -5.777 -14.465 364 HB VAL 52 HB VAL 52 0.047 -6.527 -11.911 365 HG11 VAL 52 1HG1 VAL 52 -2.158 -6.549 -11.347 366 HG12 VAL 52 2HG1 VAL 52 -2.036 -8.172 -12.020 367 HG13 VAL 52 3HG1 VAL 52 -2.695 -6.861 -12.996 368 HG21 VAL 52 3HG2 VAL 52 -0.413 -8.914 -13.038 369 HG22 VAL 52 1HG2 VAL 52 1.108 -8.042 -13.228 370 HG23 VAL 52 2HG2 VAL 52 -0.118 -7.965 -14.493 371 H GLU 53 H GLU 53 -2.909 -4.790 -13.010 372 HA GLU 53 HA GLU 53 -2.310 -2.088 -12.434 373 HB2 GLU 53 1HB GLU 53 -4.562 -1.973 -11.475 374 HB3 GLU 53 2HB GLU 53 -4.571 -2.797 -13.028 375 HG2 GLU 53 1HG GLU 53 -4.642 -4.963 -11.837 376 HG3 GLU 53 2HG GLU 53 -4.733 -4.087 -10.310 377 H VAL 54 H VAL 54 -2.699 -4.944 -10.355 378 HA VAL 54 HA VAL 54 -1.708 -3.355 -8.088 379 HB VAL 54 HB VAL 54 -2.630 -5.066 -6.612 380 HG11 VAL 54 1HG1 VAL 54 -4.954 -4.596 -8.366 381 HG12 VAL 54 2HG1 VAL 54 -4.033 -3.166 -7.902 382 HG13 VAL 54 3HG1 VAL 54 -4.721 -4.213 -6.661 383 HG21 VAL 54 3HG2 VAL 54 -3.502 -6.413 -9.164 384 HG22 VAL 54 1HG2 VAL 54 -4.093 -6.846 -7.560 385 HG23 VAL 54 2HG2 VAL 54 -2.385 -7.043 -7.953 386 H ASP 55 H ASP 55 -0.271 -4.481 -6.555 387 HA ASP 55 HA ASP 55 1.286 -6.690 -7.634 388 HB2 ASP 55 1HB ASP 55 2.344 -4.606 -8.516 389 HB3 ASP 55 2HB ASP 55 2.601 -4.074 -6.857 390 H ARG 56 H ARG 56 2.644 -7.716 -6.040 391 HA ARG 56 HA ARG 56 1.627 -7.306 -3.327 392 HB2 ARG 56 1HB ARG 56 1.884 -9.601 -4.667 393 HB3 ARG 56 2HB ARG 56 3.498 -9.537 -3.971 394 HG2 ARG 56 1HG ARG 56 2.532 -9.371 -1.733 395 HG3 ARG 56 2HG ARG 56 0.911 -9.423 -2.426 396 HD2 ARG 56 1HD ARG 56 2.979 -11.606 -2.690 397 HD3 ARG 56 2HD ARG 56 1.662 -11.600 -1.520 398 HE ARG 56 HE ARG 56 0.579 -11.275 -4.085 399 HH11 ARG 56 1HH1 ARG 56 2.189 -13.732 -2.169 400 HH12 ARG 56 2HH1 ARG 56 1.440 -15.047 -3.010 401 HH21 ARG 56 1HH2 ARG 56 -0.400 -13.019 -5.183 402 HH22 ARG 56 2HH2 ARG 56 -0.026 -14.644 -4.717 403 H VAL 57 H VAL 57 2.792 -6.334 -1.805 404 HA VAL 57 HA VAL 57 5.716 -6.205 -2.104 405 HB VAL 57 HB VAL 57 5.640 -3.846 -1.267 406 HG11 VAL 57 1HG1 VAL 57 4.119 -3.740 -3.789 407 HG12 VAL 57 2HG1 VAL 57 5.561 -4.756 -3.797 408 HG13 VAL 57 3HG1 VAL 57 5.687 -3.048 -3.376 409 HG21 VAL 57 3HG2 VAL 57 2.756 -4.413 -1.347 410 HG22 VAL 57 1HG2 VAL 57 3.239 -2.853 -2.008 411 HG23 VAL 57 2HG2 VAL 57 3.665 -3.277 -0.352 412 H LYS 58 H LYS 58 6.789 -5.412 -0.060 413 HA LYS 58 HA LYS 58 5.509 -6.693 2.262 414 HB2 LYS 58 1HB LYS 58 8.418 -5.926 1.949 415 HB3 LYS 58 2HB LYS 58 7.715 -6.950 3.190 416 HG2 LYS 58 1HG LYS 58 8.715 -8.465 1.760 417 HG3 LYS 58 2HG LYS 58 7.027 -8.485 1.245 418 HD2 LYS 58 1HD LYS 58 7.474 -7.282 -0.695 419 HD3 LYS 58 2HD LYS 58 8.990 -6.637 -0.065 420 HE2 LYS 58 1HE LYS 58 8.910 -9.559 -0.268 421 HE3 LYS 58 2HE LYS 58 8.759 -8.724 -1.813 422 HZ1 LYS 58 3HZ LYS 58 10.863 -7.949 -1.703 423 HZ2 LYS 58 1HZ LYS 58 11.090 -9.302 -0.714 424 HZ3 LYS 58 2HZ LYS 58 10.855 -7.779 -0.020 425 H VAL 59 H VAL 59 5.220 -5.614 4.186 426 HA VAL 59 HA VAL 59 5.757 -2.717 4.118 427 HB VAL 59 HB VAL 59 3.920 -2.625 5.914 428 HG11 VAL 59 1HG1 VAL 59 3.699 -1.768 3.618 429 HG12 VAL 59 2HG1 VAL 59 2.183 -2.420 4.242 430 HG13 VAL 59 3HG1 VAL 59 3.141 -3.356 3.094 431 HG21 VAL 59 3HG2 VAL 59 2.330 -4.371 6.013 432 HG22 VAL 59 1HG2 VAL 59 3.906 -5.141 6.188 433 HG23 VAL 59 2HG2 VAL 59 3.057 -5.213 4.646 434 H LEU 60 H LEU 60 6.973 -1.818 5.663 435 HA LEU 60 HA LEU 60 7.957 -3.567 7.806 436 HB2 LEU 60 1HB LEU 60 9.129 -1.378 6.213 437 HB3 LEU 60 2HB LEU 60 9.564 -1.383 7.912 438 HG LEU 60 HG LEU 60 10.030 -3.974 7.321 439 HD11 LEU 60 1HD1 LEU 60 10.881 -2.534 4.824 440 HD12 LEU 60 2HD1 LEU 60 9.394 -3.475 4.924 441 HD13 LEU 60 3HD1 LEU 60 10.952 -4.261 5.173 442 HD21 LEU 60 3HD2 LEU 60 11.517 -2.175 8.340 443 HD22 LEU 60 1HD2 LEU 60 12.069 -1.859 6.694 444 HD23 LEU 60 2HD2 LEU 60 12.315 -3.448 7.417 445 H ARG 61 H ARG 61 7.256 -3.265 9.802 446 HA ARG 61 HA ARG 61 6.221 -0.607 10.553 447 HB2 ARG 61 1HB ARG 61 4.914 -3.158 10.603 448 HB3 ARG 61 2HB ARG 61 5.090 -2.578 12.254 449 HG2 ARG 61 1HG ARG 61 4.173 -0.341 11.190 450 HG3 ARG 61 2HG ARG 61 3.505 -1.463 10.005 451 HD2 ARG 61 1HD ARG 61 3.067 -2.458 12.665 452 HD3 ARG 61 2HD ARG 61 2.471 -0.805 12.533 453 HE ARG 61 HE ARG 61 1.377 -3.149 11.285 454 HH11 ARG 61 1HH1 ARG 61 1.649 0.338 11.052 455 HH12 ARG 61 2HH1 ARG 61 0.197 0.513 10.128 456 HH21 ARG 61 1HH2 ARG 61 -0.538 -2.909 10.067 457 HH22 ARG 61 2HH2 ARG 61 -1.046 -1.331 9.568 458 H LEU 62 H LEU 62 7.506 -3.640 11.948 459 HA LEU 62 HA LEU 62 8.883 -2.006 13.978 460 HB2 LEU 62 1HB LEU 62 7.022 -4.038 14.385 461 HB3 LEU 62 2HB LEU 62 8.567 -4.813 14.676 462 HG LEU 62 HG LEU 62 7.632 -3.985 16.756 463 HD11 LEU 62 1HD1 LEU 62 9.581 -3.183 17.601 464 HD12 LEU 62 2HD1 LEU 62 9.810 -2.029 16.287 465 HD13 LEU 62 3HD1 LEU 62 10.174 -3.738 16.035 466 HD21 LEU 62 3HD2 LEU 62 7.282 -1.508 15.170 467 HD22 LEU 62 1HD2 LEU 62 7.710 -1.324 16.871 468 HD23 LEU 62 2HD2 LEU 62 6.258 -2.214 16.419 469 H ILE 63 H ILE 63 10.786 -1.766 12.815 470 HA ILE 63 HA ILE 63 12.164 -4.074 11.753 471 HB ILE 63 HB ILE 63 12.306 -1.922 10.589 472 HG12 ILE 63 1HG1 ILE 63 14.807 -1.824 10.352 473 HG13 ILE 63 2HG1 ILE 63 14.924 -2.953 11.696 474 HG21 ILE 63 1HG2 ILE 63 14.123 -0.373 11.909 475 HG22 ILE 63 2HG2 ILE 63 13.130 -0.981 13.232 476 HG23 ILE 63 3HG2 ILE 63 12.380 -0.109 11.896 477 HD11 ILE 63 3HD1 ILE 63 14.743 -3.586 9.019 478 HD12 ILE 63 1HD1 ILE 63 13.127 -3.910 9.643 479 HD13 ILE 63 2HD1 ILE 63 14.529 -4.690 10.376 480 H LYS 64 H LYS 64 14.090 -4.965 12.504 481 HA LYS 64 HA LYS 64 15.039 -4.090 15.143 482 HB2 LYS 64 1HB LYS 64 13.419 -6.124 15.150 483 HB3 LYS 64 2HB LYS 64 14.789 -7.014 14.502 484 HG2 LYS 64 1HG LYS 64 16.114 -6.294 16.481 485 HG3 LYS 64 2HG LYS 64 14.644 -5.575 17.142 486 HD2 LYS 64 1HD LYS 64 14.646 -8.440 16.282 487 HD3 LYS 64 2HD LYS 64 15.346 -7.990 17.837 488 HE2 LYS 64 1HE LYS 64 13.262 -7.011 18.548 489 HE3 LYS 64 2HE LYS 64 12.553 -7.273 16.956 490 HZ1 LYS 64 3HZ LYS 64 12.674 -9.636 17.290 491 HZ2 LYS 64 1HZ LYS 64 11.866 -8.941 18.604 492 HZ3 LYS 64 2HZ LYS 64 13.474 -9.440 18.767 493 H GLY 65 H GLY 65 17.211 -4.728 15.653 494 HA2 GLY 65 1HA GLY 65 19.258 -5.869 14.977 495 HA3 GLY 65 2HA GLY 65 18.804 -5.559 13.309 496 H GLY 66 H GLY 66 18.449 -3.095 12.876 497 HA2 GLY 66 1HA GLY 66 20.163 -1.344 14.416 498 HA3 GLY 66 2HA GLY 66 20.797 -1.758 12.830 Start of MODEL 11 1 H1 MET 1 1H MET 1 -7.376 -1.571 -5.144 2 H2 MET 1 2H MET 1 -8.795 -0.674 -5.494 3 H3 MET 1 3H MET 1 -8.736 -1.686 -4.109 4 HA MET 1 HA MET 1 -7.247 0.804 -4.605 5 HB2 MET 1 1HB MET 1 -9.131 0.041 -2.367 6 HB3 MET 1 2HB MET 1 -8.488 1.638 -2.721 7 HG2 MET 1 1HG MET 1 -10.481 1.948 -3.686 8 HG3 MET 1 2HG MET 1 -9.741 1.101 -5.043 9 HE1 MET 1 3HE MET 1 -12.882 0.184 -5.621 10 HE2 MET 1 1HE MET 1 -12.515 1.625 -4.672 11 HE3 MET 1 2HE MET 1 -13.591 0.388 -4.019 12 H ASN 2 H ASN 2 -7.866 -1.679 -2.107 13 HA ASN 2 HA ASN 2 -5.269 -1.107 -0.914 14 HB2 ASN 2 1HB ASN 2 -7.335 -3.077 0.071 15 HB3 ASN 2 2HB ASN 2 -6.007 -2.360 0.981 16 HD21 ASN 2 2HD2 ASN 2 -6.138 0.236 0.612 17 HD22 ASN 2 1HD2 ASN 2 -7.668 0.883 1.081 18 H VAL 3 H VAL 3 -3.659 -2.629 -0.613 19 HA VAL 3 HA VAL 3 -3.863 -5.060 -2.266 20 HB VAL 3 HB VAL 3 -1.337 -3.474 -1.779 21 HG11 VAL 3 1HG1 VAL 3 -1.798 -6.082 -2.754 22 HG12 VAL 3 2HG1 VAL 3 -0.279 -5.190 -2.700 23 HG13 VAL 3 3HG1 VAL 3 -1.308 -5.093 -4.129 24 HG21 VAL 3 3HG2 VAL 3 -1.694 -3.003 -4.329 25 HG22 VAL 3 1HG2 VAL 3 -2.487 -1.997 -3.117 26 HG23 VAL 3 2HG2 VAL 3 -3.392 -3.270 -3.934 27 H THR 4 H THR 4 -3.118 -6.957 -1.405 28 HA THR 4 HA THR 4 -2.788 -7.061 1.442 29 HB THR 4 HB THR 4 -2.138 -9.438 -0.230 30 HG1 THR 4 HG1 THR 4 -4.244 -9.753 -0.822 31 HG21 THR 4 3HG2 THR 4 -2.456 -10.367 1.756 32 HG22 THR 4 1HG2 THR 4 -4.177 -10.062 1.519 33 HG23 THR 4 2HG2 THR 4 -3.190 -8.903 2.411 34 H VAL 5 H VAL 5 -0.950 -6.557 2.410 35 HA VAL 5 HA VAL 5 1.591 -7.279 1.097 36 HB VAL 5 HB VAL 5 2.621 -5.413 2.404 37 HG11 VAL 5 1HG1 VAL 5 0.540 -4.082 0.783 38 HG12 VAL 5 2HG1 VAL 5 1.471 -5.349 -0.018 39 HG13 VAL 5 3HG1 VAL 5 2.298 -3.966 0.699 40 HG21 VAL 5 3HG2 VAL 5 1.111 -3.651 3.269 41 HG22 VAL 5 1HG2 VAL 5 0.991 -5.166 4.165 42 HG23 VAL 5 2HG2 VAL 5 -0.257 -4.729 2.997 43 H GLU 6 H GLU 6 3.083 -8.405 2.245 44 HA GLU 6 HA GLU 6 2.217 -9.596 4.728 45 HB2 GLU 6 1HB GLU 6 3.540 -10.681 2.735 46 HB3 GLU 6 2HB GLU 6 4.944 -10.029 3.569 47 HG2 GLU 6 1HG GLU 6 4.711 -11.437 5.359 48 HG3 GLU 6 2HG GLU 6 2.976 -11.637 5.117 49 H VAL 7 H VAL 7 2.522 -8.631 6.610 50 HA VAL 7 HA VAL 7 4.569 -6.596 6.932 51 HB VAL 7 HB VAL 7 2.711 -7.575 9.094 52 HG11 VAL 7 1HG1 VAL 7 4.543 -6.121 9.787 53 HG12 VAL 7 2HG1 VAL 7 2.986 -5.312 9.966 54 HG13 VAL 7 3HG1 VAL 7 4.037 -4.911 8.607 55 HG21 VAL 7 3HG2 VAL 7 1.033 -6.038 8.421 56 HG22 VAL 7 1HG2 VAL 7 1.455 -6.977 6.990 57 HG23 VAL 7 2HG2 VAL 7 2.073 -5.337 7.182 58 H VAL 8 H VAL 8 6.439 -6.829 8.016 59 HA VAL 8 HA VAL 8 7.396 -9.422 8.662 60 HB VAL 8 HB VAL 8 8.614 -6.795 9.529 61 HG11 VAL 8 1HG1 VAL 8 9.353 -9.283 10.264 62 HG12 VAL 8 2HG1 VAL 8 10.474 -7.933 10.098 63 HG13 VAL 8 3HG1 VAL 8 10.295 -9.096 8.785 64 HG21 VAL 8 3HG2 VAL 8 8.619 -6.382 7.300 65 HG22 VAL 8 1HG2 VAL 8 8.464 -8.086 6.873 66 HG23 VAL 8 2HG2 VAL 8 10.033 -7.436 7.347 67 H GLY 9 H GLY 9 7.025 -10.576 10.436 68 HA2 GLY 9 1HA GLY 9 6.892 -11.061 12.709 69 HA3 GLY 9 2HA GLY 9 6.989 -9.334 13.056 70 H GLU 10 H GLU 10 4.910 -8.179 11.977 71 HA GLU 10 HA GLU 10 2.684 -9.180 13.487 72 HB2 GLU 10 1HB GLU 10 3.110 -6.771 11.729 73 HB3 GLU 10 2HB GLU 10 1.530 -7.154 12.394 74 HG2 GLU 10 1HG GLU 10 2.118 -5.958 14.167 75 HG3 GLU 10 2HG GLU 10 3.194 -7.290 14.588 76 H GLU 11 H GLU 11 0.489 -9.351 12.521 77 HA GLU 11 HA GLU 11 0.375 -11.336 10.559 78 HB2 GLU 11 1HB GLU 11 -1.575 -9.647 11.995 79 HB3 GLU 11 2HB GLU 11 -2.133 -10.283 10.455 80 HG2 GLU 11 1HG GLU 11 -0.990 -12.479 11.647 81 HG3 GLU 11 2HG GLU 11 -1.731 -11.629 13.001 82 H THR 12 H THR 12 -1.408 -10.850 8.633 83 HA THR 12 HA THR 12 -0.034 -8.878 6.956 84 HB THR 12 HB THR 12 -1.922 -11.107 6.169 85 HG1 THR 12 HG1 THR 12 0.905 -10.926 6.139 86 HG21 THR 12 3HG2 THR 12 -1.243 -8.917 4.651 87 HG22 THR 12 1HG2 THR 12 -1.814 -10.472 4.047 88 HG23 THR 12 2HG2 THR 12 -0.084 -10.146 4.145 89 H SER 13 H SER 13 -0.976 -7.072 6.268 90 HA SER 13 HA SER 13 -3.892 -6.785 6.575 91 HB2 SER 13 1HB SER 13 -1.696 -5.053 7.603 92 HB3 SER 13 2HB SER 13 -3.141 -4.249 6.987 93 HG SER 13 HG SER 13 -4.372 -5.449 8.460 94 H GLU 14 H GLU 14 -4.819 -5.015 5.252 95 HA GLU 14 HA GLU 14 -3.566 -5.003 2.610 96 HB2 GLU 14 1HB GLU 14 -5.787 -4.131 1.840 97 HB3 GLU 14 2HB GLU 14 -5.844 -5.728 2.570 98 HG2 GLU 14 1HG GLU 14 -6.830 -4.901 4.545 99 HG3 GLU 14 2HG GLU 14 -6.462 -3.231 4.121 100 H VAL 15 H VAL 15 -2.712 -3.246 1.698 101 HA VAL 15 HA VAL 15 -3.242 -0.626 2.927 102 HB VAL 15 HB VAL 15 -0.882 0.006 2.573 103 HG11 VAL 15 1HG1 VAL 15 -1.500 -2.328 4.361 104 HG12 VAL 15 2HG1 VAL 15 -1.401 -0.617 4.778 105 HG13 VAL 15 3HG1 VAL 15 0.065 -1.516 4.387 106 HG21 VAL 15 3HG2 VAL 15 0.772 -1.864 2.244 107 HG22 VAL 15 1HG2 VAL 15 -0.191 -1.456 0.825 108 HG23 VAL 15 2HG2 VAL 15 -0.588 -2.886 1.776 109 H ALA 16 H ALA 16 -3.303 1.125 1.538 110 HA ALA 16 HA ALA 16 -3.814 0.479 -1.237 111 HB1 ALA 16 3HB ALA 16 -5.096 2.315 -1.267 112 HB2 ALA 16 1HB ALA 16 -3.857 3.308 -0.502 113 HB3 ALA 16 2HB ALA 16 -4.909 2.296 0.486 114 H VAL 17 H VAL 17 -2.419 0.712 -2.862 115 HA VAL 17 HA VAL 17 0.019 2.308 -2.394 116 HB VAL 17 HB VAL 17 1.174 0.817 -3.983 117 HG11 VAL 17 1HG1 VAL 17 1.130 0.445 -1.487 118 HG12 VAL 17 2HG1 VAL 17 1.526 -0.972 -2.459 119 HG13 VAL 17 3HG1 VAL 17 -0.090 -0.797 -1.774 120 HG21 VAL 17 3HG2 VAL 17 -0.025 -0.440 -5.372 121 HG22 VAL 17 1HG2 VAL 17 -1.503 -0.124 -4.463 122 HG23 VAL 17 2HG2 VAL 17 -0.454 -1.464 -4.001 123 H ASP 18 H ASP 18 1.060 3.186 -4.323 124 HA ASP 18 HA ASP 18 -0.749 4.683 -5.924 125 HB2 ASP 18 1HB ASP 18 1.560 5.423 -5.212 126 HB3 ASP 18 2HB ASP 18 2.220 4.282 -6.373 127 H ASP 19 H ASP 19 1.351 1.899 -6.515 128 HA ASP 19 HA ASP 19 1.176 1.622 -9.242 129 HB2 ASP 19 1HB ASP 19 2.395 0.194 -7.399 130 HB3 ASP 19 2HB ASP 19 0.962 -0.825 -7.526 131 H ASP 20 H ASP 20 -1.169 0.521 -6.823 132 HA ASP 20 HA ASP 20 -2.868 -1.018 -8.309 133 HB2 ASP 20 1HB ASP 20 -2.939 -0.050 -5.803 134 HB3 ASP 20 2HB ASP 20 -4.178 0.965 -6.532 135 H GLY 21 H GLY 21 -2.750 2.535 -8.222 136 HA2 GLY 21 1HA GLY 21 -3.477 4.063 -9.799 137 HA3 GLY 21 2HA GLY 21 -3.890 2.708 -10.846 138 H THR 22 H THR 22 -5.207 2.910 -7.614 139 HA THR 22 HA THR 22 -7.863 3.279 -8.794 140 HB THR 22 HB THR 22 -7.982 2.705 -5.985 141 HG1 THR 22 HG1 THR 22 -6.033 1.713 -6.028 142 HG21 THR 22 3HG2 THR 22 -8.749 0.408 -7.166 143 HG22 THR 22 1HG2 THR 22 -8.959 1.552 -8.492 144 HG23 THR 22 2HG2 THR 22 -9.785 1.819 -6.958 145 H TYR 23 H TYR 23 -9.432 4.333 -7.043 146 HA TYR 23 HA TYR 23 -8.862 7.065 -6.978 147 HB2 TYR 23 1HB TYR 23 -11.005 5.340 -6.111 148 HB3 TYR 23 2HB TYR 23 -10.707 6.585 -4.903 149 HD1 TYR 23 HD2 TYR 23 -10.838 6.416 -8.644 150 HD2 TYR 23 HD1 TYR 23 -12.056 8.440 -5.103 151 HE1 TYR 23 HE2 TYR 23 -12.096 8.029 -10.006 152 HE2 TYR 23 HE1 TYR 23 -13.318 10.058 -6.457 153 HH TYR 23 HH TYR 23 -14.284 9.632 -9.416 154 H ALA 24 H ALA 24 -8.221 4.551 -4.612 155 HA ALA 24 HA ALA 24 -7.706 6.101 -2.348 156 HB1 ALA 24 3HB ALA 24 -6.220 3.590 -3.101 157 HB2 ALA 24 1HB ALA 24 -7.859 3.600 -2.450 158 HB3 ALA 24 2HB ALA 24 -6.521 4.223 -1.482 159 H ASP 25 H ASP 25 -5.664 5.373 -5.136 160 HA ASP 25 HA ASP 25 -3.227 6.335 -4.100 161 HB2 ASP 25 1HB ASP 25 -3.324 4.950 -6.115 162 HB3 ASP 25 2HB ASP 25 -4.193 6.221 -6.967 163 H LEU 26 H LEU 26 -5.812 7.951 -5.941 164 HA LEU 26 HA LEU 26 -4.553 10.437 -6.248 165 HB2 LEU 26 1HB LEU 26 -6.752 9.542 -7.280 166 HB3 LEU 26 2HB LEU 26 -7.514 10.163 -5.829 167 HG LEU 26 HG LEU 26 -6.111 12.348 -6.608 168 HD11 LEU 26 1HD1 LEU 26 -6.790 12.413 -9.147 169 HD12 LEU 26 2HD1 LEU 26 -6.577 10.666 -9.019 170 HD13 LEU 26 3HD1 LEU 26 -5.239 11.750 -8.634 171 HD21 LEU 26 3HD2 LEU 26 -8.887 11.446 -7.323 172 HD22 LEU 26 1HD2 LEU 26 -8.295 13.064 -7.696 173 HD23 LEU 26 2HD2 LEU 26 -8.382 12.521 -6.020 174 H VAL 27 H VAL 27 -6.701 9.247 -3.683 175 HA VAL 27 HA VAL 27 -6.689 11.639 -2.159 176 HB VAL 27 HB VAL 27 -7.158 8.849 -1.092 177 HG11 VAL 27 1HG1 VAL 27 -7.074 10.258 0.742 178 HG12 VAL 27 2HG1 VAL 27 -8.794 10.241 0.359 179 HG13 VAL 27 3HG1 VAL 27 -7.794 11.608 -0.132 180 HG21 VAL 27 3HG2 VAL 27 -8.705 8.852 -2.786 181 HG22 VAL 27 1HG2 VAL 27 -8.886 10.605 -2.771 182 HG23 VAL 27 2HG2 VAL 27 -9.637 9.630 -1.508 183 H ARG 28 H ARG 28 -4.802 8.633 -1.963 184 HA ARG 28 HA ARG 28 -3.315 9.290 0.336 185 HB2 ARG 28 1HB ARG 28 -3.457 7.011 -0.564 186 HB3 ARG 28 2HB ARG 28 -2.554 7.509 -1.985 187 HG2 ARG 28 1HG ARG 28 -1.171 8.114 0.503 188 HG3 ARG 28 2HG ARG 28 -1.503 6.395 0.291 189 HD2 ARG 28 1HD ARG 28 -0.247 6.257 -1.652 190 HD3 ARG 28 2HD ARG 28 -0.358 7.988 -1.965 191 HE ARG 28 HE ARG 28 1.077 7.456 0.435 192 HH11 ARG 28 1HH1 ARG 28 1.404 7.426 -3.053 193 HH12 ARG 28 2HH1 ARG 28 3.116 7.681 -3.017 194 HH21 ARG 28 1HH2 ARG 28 3.333 7.791 0.476 195 HH22 ARG 28 2HH2 ARG 28 4.212 7.887 -1.015 196 H ALA 29 H ALA 29 -2.815 10.011 -3.081 197 HA ALA 29 HA ALA 29 -0.173 10.871 -3.053 198 HB1 ALA 29 3HB ALA 29 -1.630 10.564 -5.069 199 HB2 ALA 29 1HB ALA 29 -0.640 12.025 -5.081 200 HB3 ALA 29 2HB ALA 29 -2.358 12.127 -4.699 201 H VAL 30 H VAL 30 -3.018 12.462 -1.799 202 HA VAL 30 HA VAL 30 -1.631 15.008 -1.498 203 HB VAL 30 HB VAL 30 -4.377 14.435 -0.429 204 HG11 VAL 30 1HG1 VAL 30 -4.638 16.696 -0.350 205 HG12 VAL 30 2HG1 VAL 30 -3.583 16.978 -1.734 206 HG13 VAL 30 3HG1 VAL 30 -2.888 16.614 -0.155 207 HG21 VAL 30 3HG2 VAL 30 -3.583 14.907 -3.287 208 HG22 VAL 30 1HG2 VAL 30 -5.182 15.340 -2.685 209 HG23 VAL 30 2HG2 VAL 30 -4.643 13.662 -2.628 210 H ASP 31 H ASP 31 -0.880 12.493 0.018 211 HA ASP 31 HA ASP 31 -0.129 11.923 2.071 212 HB2 ASP 31 1HB ASP 31 0.330 14.638 1.862 213 HB3 ASP 31 2HB ASP 31 -0.529 14.503 3.394 214 H LEU 32 H LEU 32 -2.799 11.407 1.550 215 HA LEU 32 HA LEU 32 -4.029 11.815 4.200 216 HB2 LEU 32 1HB LEU 32 -5.706 11.242 1.799 217 HB3 LEU 32 2HB LEU 32 -6.127 12.094 3.270 218 HG LEU 32 HG LEU 32 -4.280 13.239 1.182 219 HD11 LEU 32 1HD1 LEU 32 -6.558 14.669 0.935 220 HD12 LEU 32 2HD1 LEU 32 -7.210 13.059 1.245 221 HD13 LEU 32 3HD1 LEU 32 -6.112 13.320 -0.108 222 HD21 LEU 32 3HD2 LEU 32 -5.415 14.172 3.745 223 HD22 LEU 32 1HD2 LEU 32 -5.377 15.341 2.425 224 HD23 LEU 32 2HD2 LEU 32 -3.885 14.572 2.964 225 H SER 33 H SER 33 -2.258 9.699 3.633 226 HA SER 33 HA SER 33 -3.847 7.350 3.057 227 HB2 SER 33 1HB SER 33 -1.272 7.874 2.545 228 HB3 SER 33 2HB SER 33 -1.077 7.098 4.118 229 HG SER 33 HG SER 33 -2.531 5.974 1.957 230 HA PRO 34 HA PRO 34 -4.856 6.872 7.400 231 HB2 PRO 34 1HB PRO 34 -6.372 4.648 7.135 232 HB3 PRO 34 2HB PRO 34 -6.955 6.252 6.676 233 HG2 PRO 34 1HG PRO 34 -5.859 4.068 4.946 234 HG3 PRO 34 2HG PRO 34 -7.255 5.124 4.665 235 HD2 PRO 34 1HD PRO 34 -4.819 5.537 3.521 236 HD3 PRO 34 2HD PRO 34 -5.949 6.853 3.901 237 H HIS 35 H HIS 35 -3.589 4.273 5.359 238 HA HIS 35 HA HIS 35 -2.771 2.654 7.597 239 HB2 HIS 35 1HB HIS 35 -1.617 1.285 5.804 240 HB3 HIS 35 2HB HIS 35 -3.360 1.437 5.641 241 HD1 HIS 35 HD1 HIS 35 -0.151 2.414 4.021 242 HD2 HIS 35 HD2 HIS 35 -4.224 2.896 3.399 243 HE1 HIS 35 HE1 HIS 35 -0.366 3.299 1.683 244 HE2 HIS 35 HE2 HIS 35 -2.833 3.698 1.370 245 H GLU 36 H GLU 36 -1.175 4.792 5.258 246 HA GLU 36 HA GLU 36 0.912 5.685 5.153 247 HB2 GLU 36 1HB GLU 36 -0.160 6.521 7.406 248 HB3 GLU 36 2HB GLU 36 1.103 5.540 8.133 249 HG2 GLU 36 1HG GLU 36 2.692 7.022 7.645 250 HG3 GLU 36 2HG GLU 36 2.077 7.285 6.015 251 H VAL 37 H VAL 37 1.545 3.492 4.282 252 HA VAL 37 HA VAL 37 3.757 2.445 5.914 253 HB VAL 37 HB VAL 37 3.272 0.146 5.156 254 HG11 VAL 37 1HG1 VAL 37 1.464 -0.303 6.688 255 HG12 VAL 37 2HG1 VAL 37 0.941 1.380 6.619 256 HG13 VAL 37 3HG1 VAL 37 2.490 0.966 7.353 257 HG21 VAL 37 3HG2 VAL 37 1.695 -0.378 3.665 258 HG22 VAL 37 1HG2 VAL 37 1.609 1.347 3.315 259 HG23 VAL 37 2HG2 VAL 37 0.487 0.624 4.467 260 H THR 38 H THR 38 5.545 1.689 4.775 261 HA THR 38 HA THR 38 5.781 2.728 2.066 262 HB THR 38 HB THR 38 8.226 1.625 2.648 263 HG1 THR 38 HG1 THR 38 7.962 1.103 4.714 264 HG21 THR 38 3HG2 THR 38 8.475 3.756 1.977 265 HG22 THR 38 1HG2 THR 38 8.622 4.038 3.712 266 HG23 THR 38 2HG2 THR 38 7.084 4.330 2.898 267 H VAL 39 H VAL 39 6.043 1.525 0.251 268 HA VAL 39 HA VAL 39 5.542 -1.338 0.493 269 HB VAL 39 HB VAL 39 5.072 -1.317 -1.892 270 HG11 VAL 39 1HG1 VAL 39 3.188 -0.807 -0.580 271 HG12 VAL 39 2HG1 VAL 39 3.191 0.393 -1.873 272 HG13 VAL 39 3HG1 VAL 39 3.752 0.834 -0.260 273 HG21 VAL 39 3HG2 VAL 39 6.194 1.453 -1.744 274 HG22 VAL 39 1HG2 VAL 39 4.987 1.056 -2.969 275 HG23 VAL 39 2HG2 VAL 39 6.513 0.173 -2.914 276 H LEU 40 H LEU 40 6.972 -2.905 -0.008 277 HA LEU 40 HA LEU 40 9.642 -2.056 -0.909 278 HB2 LEU 40 1HB LEU 40 8.679 -4.142 0.972 279 HB3 LEU 40 2HB LEU 40 10.095 -4.531 0.011 280 HG LEU 40 HG LEU 40 10.776 -3.680 2.164 281 HD11 LEU 40 1HD1 LEU 40 12.329 -2.042 1.473 282 HD12 LEU 40 2HD1 LEU 40 11.280 -1.489 0.168 283 HD13 LEU 40 3HD1 LEU 40 12.047 -3.074 0.071 284 HD21 LEU 40 3HD2 LEU 40 8.949 -1.401 1.490 285 HD22 LEU 40 1HD2 LEU 40 10.280 -1.199 2.628 286 HD23 LEU 40 2HD2 LEU 40 9.014 -2.380 2.954 287 H VAL 41 H VAL 41 10.733 -3.240 -2.489 288 HA VAL 41 HA VAL 41 9.015 -4.913 -4.188 289 HB VAL 41 HB VAL 41 11.589 -3.560 -5.014 290 HG11 VAL 41 1HG1 VAL 41 10.644 -5.562 -6.292 291 HG12 VAL 41 2HG1 VAL 41 11.012 -4.106 -7.217 292 HG13 VAL 41 3HG1 VAL 41 9.344 -4.477 -6.783 293 HG21 VAL 41 3HG2 VAL 41 9.203 -2.385 -6.137 294 HG22 VAL 41 1HG2 VAL 41 10.552 -1.612 -5.307 295 HG23 VAL 41 2HG2 VAL 41 9.203 -2.265 -4.378 296 H ASP 42 H ASP 42 9.404 -7.026 -4.036 297 HA ASP 42 HA ASP 42 11.571 -8.115 -2.622 298 HB2 ASP 42 1HB ASP 42 9.474 -9.319 -2.827 299 HB3 ASP 42 2HB ASP 42 9.639 -9.373 -4.576 300 H GLY 43 H GLY 43 13.576 -8.299 -3.205 301 HA2 GLY 43 1HA GLY 43 15.412 -7.902 -4.606 302 HA3 GLY 43 2HA GLY 43 14.926 -9.525 -5.048 303 H ARG 44 H ARG 44 13.546 -6.324 -5.864 304 HA ARG 44 HA ARG 44 14.135 -6.889 -8.688 305 HB2 ARG 44 1HB ARG 44 11.560 -6.855 -7.480 306 HB3 ARG 44 2HB ARG 44 11.682 -5.441 -8.516 307 HG2 ARG 44 1HG ARG 44 11.006 -6.844 -10.116 308 HG3 ARG 44 2HG ARG 44 12.697 -7.353 -10.141 309 HD2 ARG 44 1HD ARG 44 11.566 -8.823 -8.078 310 HD3 ARG 44 2HD ARG 44 10.328 -8.815 -9.333 311 HE ARG 44 HE ARG 44 12.960 -9.458 -10.301 312 HH11 ARG 44 1HH1 ARG 44 10.042 -10.765 -8.871 313 HH12 ARG 44 2HH1 ARG 44 10.307 -12.360 -9.488 314 HH21 ARG 44 1HH2 ARG 44 13.306 -11.562 -11.109 315 HH22 ARG 44 2HH2 ARG 44 12.162 -12.814 -10.758 316 HA PRO 45 HA PRO 45 15.931 -2.794 -8.332 317 HB2 PRO 45 1HB PRO 45 15.933 -2.973 -11.294 318 HB3 PRO 45 2HB PRO 45 17.270 -2.662 -10.185 319 HG2 PRO 45 1HG PRO 45 17.029 -5.012 -11.427 320 HG3 PRO 45 2HG PRO 45 17.614 -4.908 -9.755 321 HD2 PRO 45 1HD PRO 45 14.913 -5.703 -10.774 322 HD3 PRO 45 2HD PRO 45 15.858 -6.383 -9.432 323 H VAL 46 H VAL 46 13.680 -3.408 -11.041 324 HA VAL 46 HA VAL 46 11.985 -1.205 -10.185 325 HB VAL 46 HB VAL 46 13.101 -1.238 -13.000 326 HG11 VAL 46 1HG1 VAL 46 11.277 0.665 -11.542 327 HG12 VAL 46 2HG1 VAL 46 10.914 -0.298 -12.974 328 HG13 VAL 46 3HG1 VAL 46 12.058 1.040 -13.079 329 HG21 VAL 46 3HG2 VAL 46 13.836 0.510 -10.657 330 HG22 VAL 46 1HG2 VAL 46 14.256 0.873 -12.330 331 HG23 VAL 46 2HG2 VAL 46 14.892 -0.580 -11.556 332 HA PRO 47 HA PRO 47 8.998 -4.082 -11.806 333 HB2 PRO 47 1HB PRO 47 6.931 -2.078 -11.762 334 HB3 PRO 47 2HB PRO 47 7.217 -3.379 -10.608 335 HG2 PRO 47 1HG PRO 47 7.534 -0.708 -10.047 336 HG3 PRO 47 2HG PRO 47 8.348 -2.016 -9.174 337 HD2 PRO 47 1HD PRO 47 9.397 -0.232 -11.333 338 HD3 PRO 47 2HD PRO 47 10.213 -0.844 -9.878 339 H GLU 48 H GLU 48 10.554 -2.991 -13.853 340 HA GLU 48 HA GLU 48 9.024 -1.647 -15.829 341 HB2 GLU 48 1HB GLU 48 11.507 -3.332 -16.207 342 HB3 GLU 48 2HB GLU 48 10.870 -2.142 -17.336 343 HG2 GLU 48 1HG GLU 48 11.229 -0.399 -15.594 344 HG3 GLU 48 2HG GLU 48 12.024 -1.623 -14.607 345 H ASP 49 H ASP 49 9.535 -5.025 -15.039 346 HA ASP 49 HA ASP 49 8.177 -5.922 -17.457 347 HB2 ASP 49 1HB ASP 49 9.192 -7.618 -15.170 348 HB3 ASP 49 2HB ASP 49 8.790 -8.148 -16.800 349 H GLN 50 H GLN 50 6.840 -4.447 -15.082 350 HA GLN 50 HA GLN 50 4.894 -6.482 -14.293 351 HB2 GLN 50 1HB GLN 50 5.465 -3.698 -13.278 352 HB3 GLN 50 2HB GLN 50 4.056 -4.621 -12.770 353 HG2 GLN 50 1HG GLN 50 6.953 -5.252 -12.300 354 HG3 GLN 50 2HG GLN 50 5.704 -4.908 -11.105 355 HE21 GLN 50 2HE2 GLN 50 7.376 -7.311 -12.745 356 HE22 GLN 50 1HE2 GLN 50 6.384 -8.658 -12.312 357 H SER 51 H SER 51 3.087 -6.696 -15.405 358 HA SER 51 HA SER 51 1.983 -4.336 -16.787 359 HB2 SER 51 1HB SER 51 2.029 -7.228 -17.675 360 HB3 SER 51 2HB SER 51 1.014 -6.000 -18.432 361 HG SER 51 HG SER 51 2.881 -6.052 -19.598 362 H VAL 52 H VAL 52 1.382 -5.169 -14.082 363 HA VAL 52 HA VAL 52 -1.457 -5.893 -14.402 364 HB VAL 52 HB VAL 52 0.206 -6.474 -11.943 365 HG11 VAL 52 1HG1 VAL 52 -2.218 -8.029 -12.523 366 HG12 VAL 52 2HG1 VAL 52 -2.497 -6.322 -12.180 367 HG13 VAL 52 3HG1 VAL 52 -1.651 -7.330 -11.006 368 HG21 VAL 52 3HG2 VAL 52 -0.273 -8.920 -12.931 369 HG22 VAL 52 1HG2 VAL 52 1.195 -8.010 -13.286 370 HG23 VAL 52 2HG2 VAL 52 -0.136 -8.021 -14.443 371 H GLU 53 H GLU 53 -2.951 -4.641 -13.398 372 HA GLU 53 HA GLU 53 -2.348 -1.998 -12.734 373 HB2 GLU 53 1HB GLU 53 -4.681 -1.991 -11.695 374 HB3 GLU 53 2HB GLU 53 -4.568 -2.417 -13.398 375 HG2 GLU 53 1HG GLU 53 -4.423 -4.720 -11.605 376 HG3 GLU 53 2HG GLU 53 -5.932 -3.817 -11.483 377 H VAL 54 H VAL 54 -2.640 -4.854 -10.677 378 HA VAL 54 HA VAL 54 -1.944 -3.196 -8.340 379 HB VAL 54 HB VAL 54 -3.039 -6.007 -8.235 380 HG11 VAL 54 1HG1 VAL 54 -2.692 -3.803 -6.226 381 HG12 VAL 54 2HG1 VAL 54 -2.076 -5.455 -6.171 382 HG13 VAL 54 3HG1 VAL 54 -3.798 -5.150 -5.953 383 HG21 VAL 54 3HG2 VAL 54 -4.631 -4.540 -9.425 384 HG22 VAL 54 1HG2 VAL 54 -4.636 -3.457 -8.032 385 HG23 VAL 54 2HG2 VAL 54 -5.249 -5.103 -7.872 386 H ASP 55 H ASP 55 -0.467 -4.226 -6.752 387 HA ASP 55 HA ASP 55 1.281 -6.309 -7.787 388 HB2 ASP 55 1HB ASP 55 1.994 -3.743 -8.303 389 HB3 ASP 55 2HB ASP 55 2.747 -3.969 -6.729 390 H ARG 56 H ARG 56 2.423 -7.421 -6.186 391 HA ARG 56 HA ARG 56 1.473 -6.924 -3.460 392 HB2 ARG 56 1HB ARG 56 1.415 -9.229 -4.648 393 HB3 ARG 56 2HB ARG 56 3.139 -9.287 -4.305 394 HG2 ARG 56 1HG ARG 56 2.692 -9.082 -1.923 395 HG3 ARG 56 2HG ARG 56 0.960 -8.972 -2.248 396 HD2 ARG 56 1HD ARG 56 1.716 -11.272 -3.572 397 HD3 ARG 56 2HD ARG 56 2.693 -11.307 -2.104 398 HE ARG 56 HE ARG 56 -0.077 -10.720 -1.620 399 HH11 ARG 56 1HH1 ARG 56 2.246 -13.307 -2.068 400 HH12 ARG 56 2HH1 ARG 56 1.302 -14.470 -1.197 401 HH21 ARG 56 1HH2 ARG 56 -1.315 -12.260 -0.480 402 HH22 ARG 56 2HH2 ARG 56 -0.719 -13.875 -0.297 403 H VAL 57 H VAL 57 2.713 -6.007 -1.977 404 HA VAL 57 HA VAL 57 5.639 -6.115 -2.259 405 HB VAL 57 HB VAL 57 5.707 -3.705 -1.479 406 HG11 VAL 57 1HG1 VAL 57 4.398 -3.959 -4.169 407 HG12 VAL 57 2HG1 VAL 57 6.022 -4.575 -3.867 408 HG13 VAL 57 3HG1 VAL 57 5.679 -2.858 -3.661 409 HG21 VAL 57 3HG2 VAL 57 2.882 -4.097 -1.421 410 HG22 VAL 57 1HG2 VAL 57 3.259 -2.842 -2.601 411 HG23 VAL 57 2HG2 VAL 57 3.814 -2.681 -0.935 412 H LYS 58 H LYS 58 6.757 -5.340 -0.229 413 HA LYS 58 HA LYS 58 5.326 -6.401 2.113 414 HB2 LYS 58 1HB LYS 58 8.286 -5.858 1.983 415 HB3 LYS 58 2HB LYS 58 7.419 -6.940 3.064 416 HG2 LYS 58 1HG LYS 58 7.587 -7.397 0.098 417 HG3 LYS 58 2HG LYS 58 8.778 -8.025 1.238 418 HD2 LYS 58 1HD LYS 58 7.357 -9.587 2.069 419 HD3 LYS 58 2HD LYS 58 5.939 -8.553 1.882 420 HE2 LYS 58 1HE LYS 58 5.450 -10.003 0.221 421 HE3 LYS 58 2HE LYS 58 6.535 -8.968 -0.701 422 HZ1 LYS 58 3HZ LYS 58 8.145 -10.539 -0.751 423 HZ2 LYS 58 1HZ LYS 58 6.825 -11.585 -0.586 424 HZ3 LYS 58 2HZ LYS 58 7.754 -11.177 0.767 425 H VAL 59 H VAL 59 5.116 -5.230 3.997 426 HA VAL 59 HA VAL 59 5.777 -2.372 3.775 427 HB VAL 59 HB VAL 59 4.084 -2.105 5.661 428 HG11 VAL 59 1HG1 VAL 59 3.208 -3.048 2.937 429 HG12 VAL 59 2HG1 VAL 59 3.570 -1.394 3.433 430 HG13 VAL 59 3HG1 VAL 59 2.160 -2.225 4.092 431 HG21 VAL 59 3HG2 VAL 59 4.038 -4.505 6.296 432 HG22 VAL 59 1HG2 VAL 59 3.226 -4.856 4.770 433 HG23 VAL 59 2HG2 VAL 59 2.439 -3.835 5.972 434 H LEU 60 H LEU 60 6.982 -1.342 5.286 435 HA LEU 60 HA LEU 60 8.086 -3.014 7.450 436 HB2 LEU 60 1HB LEU 60 9.468 -1.863 5.409 437 HB3 LEU 60 2HB LEU 60 9.585 -0.611 6.631 438 HG LEU 60 HG LEU 60 10.417 -3.485 7.049 439 HD11 LEU 60 1HD1 LEU 60 12.284 -1.159 6.781 440 HD12 LEU 60 2HD1 LEU 60 11.742 -2.057 5.365 441 HD13 LEU 60 3HD1 LEU 60 12.625 -2.884 6.646 442 HD21 LEU 60 3HD2 LEU 60 11.555 -2.546 9.039 443 HD22 LEU 60 1HD2 LEU 60 9.798 -2.425 9.118 444 HD23 LEU 60 2HD2 LEU 60 10.761 -1.003 8.725 445 H ARG 61 H ARG 61 7.782 -2.372 9.486 446 HA ARG 61 HA ARG 61 6.477 0.199 9.958 447 HB2 ARG 61 1HB ARG 61 5.610 -2.037 10.861 448 HB3 ARG 61 2HB ARG 61 6.947 -1.966 12.001 449 HG2 ARG 61 1HG ARG 61 6.071 -0.123 13.110 450 HG3 ARG 61 2HG ARG 61 5.029 0.317 11.755 451 HD2 ARG 61 1HD ARG 61 4.121 -2.178 12.346 452 HD3 ARG 61 2HD ARG 61 4.588 -1.594 13.943 453 HE ARG 61 HE ARG 61 3.141 0.459 12.943 454 HH11 ARG 61 1HH1 ARG 61 2.500 -2.970 13.262 455 HH12 ARG 61 2HH1 ARG 61 0.788 -2.759 13.419 456 HH21 ARG 61 1HH2 ARG 61 0.885 0.732 13.150 457 HH22 ARG 61 2HH2 ARG 61 -0.130 -0.657 13.355 458 H LEU 62 H LEU 62 9.133 -1.714 11.420 459 HA LEU 62 HA LEU 62 10.178 0.704 12.674 460 HB2 LEU 62 1HB LEU 62 9.980 -1.705 13.710 461 HB3 LEU 62 2HB LEU 62 11.502 -1.969 12.884 462 HG LEU 62 HG LEU 62 12.157 0.283 14.151 463 HD11 LEU 62 1HD1 LEU 62 10.028 -0.956 15.890 464 HD12 LEU 62 2HD1 LEU 62 10.006 0.657 15.177 465 HD13 LEU 62 3HD1 LEU 62 11.189 0.260 16.422 466 HD21 LEU 62 3HD2 LEU 62 12.126 -2.506 15.294 467 HD22 LEU 62 1HD2 LEU 62 13.034 -1.166 15.995 468 HD23 LEU 62 2HD2 LEU 62 13.414 -1.735 14.369 469 H ILE 63 H ILE 63 11.249 1.950 11.253 470 HA ILE 63 HA ILE 63 13.171 0.698 9.423 471 HB ILE 63 HB ILE 63 11.516 2.237 8.429 472 HG12 ILE 63 1HG1 ILE 63 13.142 3.661 7.175 473 HG13 ILE 63 2HG1 ILE 63 14.389 3.180 8.318 474 HG21 ILE 63 1HG2 ILE 63 11.876 3.778 10.640 475 HG22 ILE 63 2HG2 ILE 63 11.093 4.314 9.152 476 HG23 ILE 63 3HG2 ILE 63 12.798 4.672 9.431 477 HD11 ILE 63 3HD1 ILE 63 14.834 1.444 7.028 478 HD12 ILE 63 1HD1 ILE 63 13.483 1.847 5.968 479 HD13 ILE 63 2HD1 ILE 63 13.225 0.808 7.370 480 H LYS 64 H LYS 64 15.327 1.328 9.334 481 HA LYS 64 HA LYS 64 16.290 3.097 11.477 482 HB2 LYS 64 1HB LYS 64 16.538 0.420 11.707 483 HB3 LYS 64 2HB LYS 64 17.999 0.773 10.795 484 HG2 LYS 64 1HG LYS 64 18.538 2.501 12.547 485 HG3 LYS 64 2HG LYS 64 17.211 1.824 13.494 486 HD2 LYS 64 1HD LYS 64 19.172 -0.115 12.439 487 HD3 LYS 64 2HD LYS 64 19.768 0.985 13.683 488 HE2 LYS 64 1HE LYS 64 17.403 -0.879 13.882 489 HE3 LYS 64 2HE LYS 64 18.944 -1.028 14.725 490 HZ1 LYS 64 3HZ LYS 64 17.783 -0.020 16.357 491 HZ2 LYS 64 1HZ LYS 64 16.671 0.694 15.302 492 HZ3 LYS 64 2HZ LYS 64 18.196 1.392 15.524 493 H GLY 65 H GLY 65 17.292 4.755 10.536 494 HA2 GLY 65 1HA GLY 65 18.935 4.212 8.138 495 HA3 GLY 65 2HA GLY 65 17.958 5.663 8.307 496 H GLY 66 H GLY 66 21.007 4.831 8.202 497 HA2 GLY 66 1HA GLY 66 22.344 6.933 8.947 498 HA3 GLY 66 2HA GLY 66 21.907 6.354 10.547 Start of MODEL 12 1 H1 MET 1 1H MET 1 -6.709 2.171 -4.274 2 H2 MET 1 2H MET 1 -8.066 1.748 -5.234 3 H3 MET 1 3H MET 1 -6.510 1.135 -5.626 4 HA MET 1 HA MET 1 -8.201 0.497 -3.304 5 HB2 MET 1 1HB MET 1 -8.157 -0.544 -5.827 6 HB3 MET 1 2HB MET 1 -6.986 -1.576 -5.020 7 HG2 MET 1 1HG MET 1 -9.092 -2.642 -4.869 8 HG3 MET 1 2HG MET 1 -8.704 -2.024 -3.266 9 HE1 MET 1 3HE MET 1 -12.574 -1.719 -3.347 10 HE2 MET 1 1HE MET 1 -11.187 -2.696 -2.869 11 HE3 MET 1 2HE MET 1 -11.843 -2.837 -4.499 12 H ASN 2 H ASN 2 -7.291 -1.038 -1.810 13 HA ASN 2 HA ASN 2 -4.481 -0.515 -1.294 14 HB2 ASN 2 1HB ASN 2 -6.381 -2.141 0.403 15 HB3 ASN 2 2HB ASN 2 -4.862 -1.399 0.900 16 HD21 ASN 2 2HD2 ASN 2 -4.825 1.047 0.559 17 HD22 ASN 2 1HD2 ASN 2 -6.241 1.899 1.053 18 H VAL 3 H VAL 3 -2.879 -2.042 -1.210 19 HA VAL 3 HA VAL 3 -3.511 -4.618 -2.471 20 HB VAL 3 HB VAL 3 -1.089 -4.808 -2.927 21 HG11 VAL 3 1HG1 VAL 3 -2.368 -2.270 -3.933 22 HG12 VAL 3 2HG1 VAL 3 -2.538 -3.882 -4.629 23 HG13 VAL 3 3HG1 VAL 3 -0.974 -3.068 -4.659 24 HG21 VAL 3 3HG2 VAL 3 -0.922 -2.652 -1.067 25 HG22 VAL 3 1HG2 VAL 3 -0.244 -2.131 -2.608 26 HG23 VAL 3 2HG2 VAL 3 0.381 -3.575 -1.813 27 H THR 4 H THR 4 -3.013 -6.554 -1.501 28 HA THR 4 HA THR 4 -2.730 -6.513 1.347 29 HB THR 4 HB THR 4 -2.567 -8.918 -0.480 30 HG1 THR 4 HG1 THR 4 -4.569 -8.528 -0.913 31 HG21 THR 4 3HG2 THR 4 -2.489 -10.132 1.357 32 HG22 THR 4 1HG2 THR 4 -4.001 -9.412 1.905 33 HG23 THR 4 2HG2 THR 4 -2.463 -8.669 2.339 34 H VAL 5 H VAL 5 -0.885 -6.171 2.323 35 HA VAL 5 HA VAL 5 1.594 -7.273 1.171 36 HB VAL 5 HB VAL 5 2.797 -5.428 2.286 37 HG11 VAL 5 1HG1 VAL 5 2.318 -3.784 0.675 38 HG12 VAL 5 2HG1 VAL 5 0.624 -4.265 0.567 39 HG13 VAL 5 3HG1 VAL 5 1.882 -5.313 -0.087 40 HG21 VAL 5 3HG2 VAL 5 1.333 -4.913 4.106 41 HG22 VAL 5 1HG2 VAL 5 0.021 -4.499 3.004 42 HG23 VAL 5 2HG2 VAL 5 1.453 -3.477 3.091 43 H GLU 6 H GLU 6 2.915 -8.469 2.474 44 HA GLU 6 HA GLU 6 1.837 -9.330 5.014 45 HB2 GLU 6 1HB GLU 6 3.095 -10.737 3.178 46 HB3 GLU 6 2HB GLU 6 4.533 -10.176 4.021 47 HG2 GLU 6 1HG GLU 6 4.136 -12.174 5.067 48 HG3 GLU 6 2HG GLU 6 3.305 -11.048 6.140 49 H VAL 7 H VAL 7 2.196 -8.234 6.811 50 HA VAL 7 HA VAL 7 4.449 -6.409 7.022 51 HB VAL 7 HB VAL 7 2.307 -6.950 9.083 52 HG11 VAL 7 1HG1 VAL 7 4.343 -4.773 8.706 53 HG12 VAL 7 2HG1 VAL 7 4.078 -5.806 10.111 54 HG13 VAL 7 3HG1 VAL 7 2.905 -4.555 9.705 55 HG21 VAL 7 3HG2 VAL 7 2.037 -4.496 7.540 56 HG22 VAL 7 1HG2 VAL 7 0.829 -5.705 7.969 57 HG23 VAL 7 2HG2 VAL 7 1.854 -5.947 6.556 58 H VAL 8 H VAL 8 6.223 -6.699 8.253 59 HA VAL 8 HA VAL 8 6.975 -9.241 9.153 60 HB VAL 8 HB VAL 8 8.744 -7.954 10.514 61 HG11 VAL 8 1HG1 VAL 8 8.407 -8.045 7.571 62 HG12 VAL 8 2HG1 VAL 8 9.628 -8.796 8.598 63 HG13 VAL 8 3HG1 VAL 8 9.736 -7.079 8.212 64 HG21 VAL 8 3HG2 VAL 8 8.141 -5.582 8.852 65 HG22 VAL 8 1HG2 VAL 8 8.883 -5.693 10.448 66 HG23 VAL 8 2HG2 VAL 8 7.134 -5.838 10.275 67 H GLY 9 H GLY 9 6.326 -10.380 10.861 68 HA2 GLY 9 1HA GLY 9 5.956 -10.769 13.151 69 HA3 GLY 9 2HA GLY 9 5.809 -9.031 13.401 70 H GLU 10 H GLU 10 3.860 -8.296 11.667 71 HA GLU 10 HA GLU 10 1.497 -9.300 12.955 72 HB2 GLU 10 1HB GLU 10 2.218 -7.044 11.231 73 HB3 GLU 10 2HB GLU 10 0.622 -7.698 10.891 74 HG2 GLU 10 1HG GLU 10 0.294 -7.538 13.458 75 HG3 GLU 10 2HG GLU 10 1.649 -6.412 13.379 76 H GLU 11 H GLU 11 -0.447 -9.965 11.682 77 HA GLU 11 HA GLU 11 0.178 -12.183 10.031 78 HB2 GLU 11 1HB GLU 11 -2.409 -10.839 10.785 79 HB3 GLU 11 2HB GLU 11 -2.374 -12.174 9.642 80 HG2 GLU 11 1HG GLU 11 -1.141 -13.477 11.448 81 HG3 GLU 11 2HG GLU 11 -1.629 -12.187 12.546 82 H THR 12 H THR 12 -2.418 -10.222 8.771 83 HA THR 12 HA THR 12 -0.772 -9.553 6.425 84 HB THR 12 HB THR 12 -3.661 -10.295 6.115 85 HG1 THR 12 HG1 THR 12 -2.954 -12.138 7.027 86 HG21 THR 12 3HG2 THR 12 -1.445 -9.748 4.352 87 HG22 THR 12 1HG2 THR 12 -3.168 -9.863 4.004 88 HG23 THR 12 2HG2 THR 12 -2.175 -11.319 4.022 89 H SER 13 H SER 13 -1.001 -7.536 5.614 90 HA SER 13 HA SER 13 -3.236 -5.885 6.582 91 HB2 SER 13 1HB SER 13 -1.166 -5.407 7.897 92 HB3 SER 13 2HB SER 13 -0.371 -4.925 6.396 93 HG SER 13 HG SER 13 -2.635 -3.721 7.616 94 H GLU 14 H GLU 14 -3.561 -3.890 5.274 95 HA GLU 14 HA GLU 14 -2.729 -4.287 2.475 96 HB2 GLU 14 1HB GLU 14 -5.423 -3.839 3.640 97 HB3 GLU 14 2HB GLU 14 -5.062 -3.018 2.129 98 HG2 GLU 14 1HG GLU 14 -4.587 -5.108 1.043 99 HG3 GLU 14 2HG GLU 14 -4.761 -5.979 2.565 100 H VAL 15 H VAL 15 -2.062 -2.536 1.337 101 HA VAL 15 HA VAL 15 -2.232 0.103 2.629 102 HB VAL 15 HB VAL 15 0.005 -0.825 3.053 103 HG11 VAL 15 1HG1 VAL 15 1.440 -1.616 1.451 104 HG12 VAL 15 2HG1 VAL 15 0.688 -0.683 0.157 105 HG13 VAL 15 3HG1 VAL 15 -0.108 -2.128 0.779 106 HG21 VAL 15 3HG2 VAL 15 1.328 1.041 2.108 107 HG22 VAL 15 1HG2 VAL 15 -0.187 1.571 2.839 108 HG23 VAL 15 2HG2 VAL 15 -0.044 1.461 1.083 109 H ALA 16 H ALA 16 -2.300 1.890 1.233 110 HA ALA 16 HA ALA 16 -3.331 1.304 -1.409 111 HB1 ALA 16 3HB ALA 16 -3.319 3.631 0.407 112 HB2 ALA 16 1HB ALA 16 -4.611 2.982 -0.603 113 HB3 ALA 16 2HB ALA 16 -3.350 3.987 -1.319 114 H VAL 17 H VAL 17 -2.208 1.364 -3.232 115 HA VAL 17 HA VAL 17 0.418 2.712 -3.238 116 HB VAL 17 HB VAL 17 0.925 1.061 -5.149 117 HG11 VAL 17 1HG1 VAL 17 1.226 -0.810 -3.254 118 HG12 VAL 17 2HG1 VAL 17 0.893 0.588 -2.230 119 HG13 VAL 17 3HG1 VAL 17 2.245 0.626 -3.361 120 HG21 VAL 17 3HG2 VAL 17 -1.173 -0.608 -3.790 121 HG22 VAL 17 1HG2 VAL 17 -0.287 -0.952 -5.275 122 HG23 VAL 17 2HG2 VAL 17 -1.510 0.320 -5.252 123 H ASP 18 H ASP 18 1.158 3.493 -5.348 124 HA ASP 18 HA ASP 18 -0.941 4.946 -6.681 125 HB2 ASP 18 1HB ASP 18 2.028 5.010 -6.673 126 HB3 ASP 18 2HB ASP 18 1.209 5.639 -8.100 127 H ASP 19 H ASP 19 0.968 2.107 -7.338 128 HA ASP 19 HA ASP 19 0.788 1.973 -10.112 129 HB2 ASP 19 1HB ASP 19 1.771 0.327 -8.140 130 HB3 ASP 19 2HB ASP 19 0.418 -0.611 -8.764 131 H ASP 20 H ASP 20 -1.572 1.184 -7.634 132 HA ASP 20 HA ASP 20 -3.441 -0.266 -9.061 133 HB2 ASP 20 1HB ASP 20 -3.353 1.152 -6.577 134 HB3 ASP 20 2HB ASP 20 -4.865 1.548 -7.389 135 H GLY 21 H GLY 21 -3.557 3.270 -8.520 136 HA2 GLY 21 1HA GLY 21 -4.168 4.955 -9.993 137 HA3 GLY 21 2HA GLY 21 -4.367 3.739 -11.251 138 H THR 22 H THR 22 -5.992 3.385 -8.180 139 HA THR 22 HA THR 22 -8.554 3.677 -9.556 140 HB THR 22 HB THR 22 -8.689 2.812 -6.777 141 HG1 THR 22 HG1 THR 22 -7.722 0.651 -7.689 142 HG21 THR 22 3HG2 THR 22 -9.548 1.658 -9.404 143 HG22 THR 22 1HG2 THR 22 -10.544 2.344 -8.123 144 HG23 THR 22 2HG2 THR 22 -9.742 0.794 -7.880 145 H TYR 23 H TYR 23 -10.359 4.419 -7.871 146 HA TYR 23 HA TYR 23 -10.068 7.168 -7.509 147 HB2 TYR 23 1HB TYR 23 -12.165 7.081 -6.265 148 HB3 TYR 23 2HB TYR 23 -12.252 6.026 -7.671 149 HD1 TYR 23 HD2 TYR 23 -12.218 3.570 -7.381 150 HD2 TYR 23 HD1 TYR 23 -12.279 6.197 -4.035 151 HE1 TYR 23 HE2 TYR 23 -12.890 1.702 -5.935 152 HE2 TYR 23 HE1 TYR 23 -12.951 4.336 -2.579 153 HH TYR 23 HH TYR 23 -12.673 1.170 -3.381 154 H ALA 24 H ALA 24 -9.577 4.505 -5.231 155 HA ALA 24 HA ALA 24 -9.255 6.054 -2.899 156 HB1 ALA 24 3HB ALA 24 -8.697 3.282 -3.709 157 HB2 ALA 24 1HB ALA 24 -9.454 3.909 -2.245 158 HB3 ALA 24 2HB ALA 24 -7.696 3.898 -2.394 159 H ASP 25 H ASP 25 -7.012 5.085 -5.439 160 HA ASP 25 HA ASP 25 -4.611 5.797 -4.188 161 HB2 ASP 25 1HB ASP 25 -4.741 4.473 -6.274 162 HB3 ASP 25 2HB ASP 25 -5.266 5.912 -7.142 163 H LEU 26 H LEU 26 -6.948 7.731 -6.001 164 HA LEU 26 HA LEU 26 -5.465 10.072 -6.326 165 HB2 LEU 26 1HB LEU 26 -7.958 9.314 -7.013 166 HB3 LEU 26 2HB LEU 26 -8.343 10.349 -5.652 167 HG LEU 26 HG LEU 26 -8.499 11.574 -7.750 168 HD11 LEU 26 1HD1 LEU 26 -7.183 13.486 -7.172 169 HD12 LEU 26 2HD1 LEU 26 -6.079 12.500 -6.215 170 HD13 LEU 26 3HD1 LEU 26 -7.746 12.727 -5.683 171 HD21 LEU 26 3HD2 LEU 26 -5.547 11.107 -8.118 172 HD22 LEU 26 1HD2 LEU 26 -6.660 11.921 -9.216 173 HD23 LEU 26 2HD2 LEU 26 -6.795 10.182 -8.953 174 H VAL 27 H VAL 27 -7.413 8.954 -3.589 175 HA VAL 27 HA VAL 27 -7.116 11.313 -2.031 176 HB VAL 27 HB VAL 27 -7.654 8.531 -0.982 177 HG11 VAL 27 1HG1 VAL 27 -7.429 9.722 0.927 178 HG12 VAL 27 2HG1 VAL 27 -9.098 10.164 0.570 179 HG13 VAL 27 3HG1 VAL 27 -7.785 11.261 0.143 180 HG21 VAL 27 3HG2 VAL 27 -10.103 9.617 -1.116 181 HG22 VAL 27 1HG2 VAL 27 -9.416 8.620 -2.400 182 HG23 VAL 27 2HG2 VAL 27 -9.367 10.379 -2.527 183 H ARG 28 H ARG 28 -5.482 8.135 -1.904 184 HA ARG 28 HA ARG 28 -3.727 8.739 0.196 185 HB2 ARG 28 1HB ARG 28 -4.232 6.471 -0.980 186 HB3 ARG 28 2HB ARG 28 -2.924 6.928 -2.061 187 HG2 ARG 28 1HG ARG 28 -2.432 7.046 0.869 188 HG3 ARG 28 2HG ARG 28 -2.499 5.467 0.086 189 HD2 ARG 28 1HD ARG 28 -0.789 6.208 -1.519 190 HD3 ARG 28 2HD ARG 28 -0.703 7.761 -0.690 191 HE ARG 28 HE ARG 28 -0.217 5.492 1.014 192 HH11 ARG 28 1HH1 ARG 28 1.249 7.806 -1.169 193 HH12 ARG 28 2HH1 ARG 28 2.826 7.641 -0.479 194 HH21 ARG 28 1HH2 ARG 28 1.868 5.280 1.917 195 HH22 ARG 28 2HH2 ARG 28 3.179 6.208 1.271 196 H ALA 29 H ALA 29 -3.483 9.348 -3.268 197 HA ALA 29 HA ALA 29 -0.793 10.004 -3.495 198 HB1 ALA 29 3HB ALA 29 -3.249 10.705 -4.996 199 HB2 ALA 29 1HB ALA 29 -1.758 9.943 -5.547 200 HB3 ALA 29 2HB ALA 29 -1.814 11.687 -5.291 201 H VAL 30 H VAL 30 -3.376 11.828 -2.013 202 HA VAL 30 HA VAL 30 -1.777 14.264 -1.911 203 HB VAL 30 HB VAL 30 -4.489 13.844 -0.662 204 HG11 VAL 30 1HG1 VAL 30 -2.685 15.986 -0.634 205 HG12 VAL 30 2HG1 VAL 30 -4.363 15.988 -0.095 206 HG13 VAL 30 3HG1 VAL 30 -3.968 16.454 -1.749 207 HG21 VAL 30 3HG2 VAL 30 -3.982 14.910 -3.432 208 HG22 VAL 30 1HG2 VAL 30 -5.538 14.587 -2.669 209 HG23 VAL 30 2HG2 VAL 30 -4.472 13.249 -3.102 210 H ASP 31 H ASP 31 -1.082 11.721 -0.420 211 HA ASP 31 HA ASP 31 -0.174 11.115 1.551 212 HB2 ASP 31 1HB ASP 31 0.061 14.037 1.520 213 HB3 ASP 31 2HB ASP 31 0.072 13.349 3.140 214 H LEU 32 H LEU 32 -2.824 10.645 1.396 215 HA LEU 32 HA LEU 32 -3.869 11.405 4.043 216 HB2 LEU 32 1HB LEU 32 -5.142 11.010 1.403 217 HB3 LEU 32 2HB LEU 32 -6.031 10.391 2.780 218 HG LEU 32 HG LEU 32 -5.407 12.887 3.663 219 HD11 LEU 32 1HD1 LEU 32 -4.396 13.605 1.609 220 HD12 LEU 32 2HD1 LEU 32 -5.947 14.424 1.792 221 HD13 LEU 32 3HD1 LEU 32 -5.794 13.065 0.680 222 HD21 LEU 32 3HD2 LEU 32 -7.757 13.458 2.877 223 HD22 LEU 32 1HD2 LEU 32 -7.582 12.024 3.890 224 HD23 LEU 32 2HD2 LEU 32 -7.786 11.853 2.148 225 H SER 33 H SER 33 -1.956 9.254 3.593 226 HA SER 33 HA SER 33 -3.531 6.819 3.863 227 HB2 SER 33 1HB SER 33 -1.031 5.928 4.214 228 HB3 SER 33 2HB SER 33 -1.706 6.230 2.615 229 HG SER 33 HG SER 33 -0.000 7.916 4.133 230 HA PRO 34 HA PRO 34 -3.332 7.292 8.317 231 HB2 PRO 34 1HB PRO 34 -4.984 5.267 8.945 232 HB3 PRO 34 2HB PRO 34 -5.582 6.780 8.256 233 HG2 PRO 34 1HG PRO 34 -5.102 4.146 6.925 234 HG3 PRO 34 2HG PRO 34 -6.440 5.286 6.703 235 HD2 PRO 34 1HD PRO 34 -4.280 5.081 5.010 236 HD3 PRO 34 2HD PRO 34 -5.275 6.540 5.191 237 H HIS 35 H HIS 35 -2.766 4.229 6.620 238 HA HIS 35 HA HIS 35 -1.624 2.862 8.838 239 HB2 HIS 35 1HB HIS 35 -1.675 2.382 5.874 240 HB3 HIS 35 2HB HIS 35 -0.626 1.415 6.904 241 HD1 HIS 35 HD1 HIS 35 -2.216 0.563 9.189 242 HD2 HIS 35 HD2 HIS 35 -3.959 1.024 5.444 243 HE1 HIS 35 HE1 HIS 35 -4.294 -0.850 9.236 244 HE2 HIS 35 HE2 HIS 35 -5.383 -0.482 6.993 245 H GLU 36 H GLU 36 -0.254 4.742 6.159 246 HA GLU 36 HA GLU 36 1.830 5.521 5.728 247 HB2 GLU 36 1HB GLU 36 1.246 6.016 8.522 248 HB3 GLU 36 2HB GLU 36 2.976 5.860 8.256 249 HG2 GLU 36 1HG GLU 36 3.102 7.746 7.001 250 HG3 GLU 36 2HG GLU 36 1.459 7.579 6.383 251 H VAL 37 H VAL 37 2.218 3.235 4.965 252 HA VAL 37 HA VAL 37 4.460 2.054 6.481 253 HB VAL 37 HB VAL 37 3.821 -0.152 5.523 254 HG11 VAL 37 1HG1 VAL 37 1.902 1.293 7.325 255 HG12 VAL 37 2HG1 VAL 37 3.203 0.188 7.764 256 HG13 VAL 37 3HG1 VAL 37 1.752 -0.430 6.976 257 HG21 VAL 37 3HG2 VAL 37 2.546 0.568 3.606 258 HG22 VAL 37 1HG2 VAL 37 1.348 1.335 4.649 259 HG23 VAL 37 2HG2 VAL 37 1.522 -0.421 4.649 260 H THR 38 H THR 38 6.221 1.308 5.318 261 HA THR 38 HA THR 38 6.455 2.392 2.610 262 HB THR 38 HB THR 38 8.586 1.341 4.488 263 HG1 THR 38 HG1 THR 38 7.798 3.238 5.303 264 HG21 THR 38 3HG2 THR 38 9.583 3.184 2.568 265 HG22 THR 38 1HG2 THR 38 8.757 1.874 1.724 266 HG23 THR 38 2HG2 THR 38 10.059 1.511 2.856 267 H VAL 39 H VAL 39 6.211 1.092 0.926 268 HA VAL 39 HA VAL 39 6.215 -1.782 1.266 269 HB VAL 39 HB VAL 39 5.456 -1.907 -1.036 270 HG11 VAL 39 1HG1 VAL 39 3.341 -1.199 -0.613 271 HG12 VAL 39 2HG1 VAL 39 3.863 0.389 -0.053 272 HG13 VAL 39 3HG1 VAL 39 4.006 -1.011 1.008 273 HG21 VAL 39 3HG2 VAL 39 4.985 0.357 -2.193 274 HG22 VAL 39 1HG2 VAL 39 6.623 -0.294 -2.238 275 HG23 VAL 39 2HG2 VAL 39 6.215 0.992 -1.103 276 H LEU 40 H LEU 40 7.772 -3.174 0.686 277 HA LEU 40 HA LEU 40 10.181 -2.066 -0.585 278 HB2 LEU 40 1HB LEU 40 9.701 -4.188 1.436 279 HB3 LEU 40 2HB LEU 40 11.022 -4.453 0.307 280 HG LEU 40 HG LEU 40 10.751 -1.992 2.042 281 HD11 LEU 40 1HD1 LEU 40 12.414 -4.471 2.459 282 HD12 LEU 40 2HD1 LEU 40 11.056 -3.939 3.450 283 HD13 LEU 40 3HD1 LEU 40 12.539 -2.986 3.400 284 HD21 LEU 40 3HD2 LEU 40 12.672 -2.912 -0.016 285 HD22 LEU 40 1HD2 LEU 40 13.344 -2.145 1.424 286 HD23 LEU 40 2HD2 LEU 40 12.175 -1.280 0.427 287 H VAL 41 H VAL 41 11.186 -3.146 -2.290 288 HA VAL 41 HA VAL 41 9.418 -4.946 -3.797 289 HB VAL 41 HB VAL 41 11.871 -3.546 -4.867 290 HG11 VAL 41 1HG1 VAL 41 10.814 -5.503 -6.090 291 HG12 VAL 41 2HG1 VAL 41 11.002 -4.010 -7.007 292 HG13 VAL 41 3HG1 VAL 41 9.423 -4.453 -6.360 293 HG21 VAL 41 3HG2 VAL 41 9.630 -2.201 -5.836 294 HG22 VAL 41 1HG2 VAL 41 10.815 -1.596 -4.680 295 HG23 VAL 41 2HG2 VAL 41 9.341 -2.375 -4.105 296 H ASP 42 H ASP 42 10.065 -6.997 -4.332 297 HA ASP 42 HA ASP 42 12.154 -8.172 -2.834 298 HB2 ASP 42 1HB ASP 42 11.639 -10.229 -4.103 299 HB3 ASP 42 2HB ASP 42 10.187 -9.472 -3.460 300 H GLY 43 H GLY 43 14.217 -8.164 -3.220 301 HA2 GLY 43 1HA GLY 43 16.153 -7.464 -4.314 302 HA3 GLY 43 2HA GLY 43 15.782 -8.957 -5.147 303 H ARG 44 H ARG 44 14.353 -5.680 -5.363 304 HA ARG 44 HA ARG 44 15.205 -5.594 -8.175 305 HB2 ARG 44 1HB ARG 44 12.495 -5.708 -7.148 306 HB3 ARG 44 2HB ARG 44 12.755 -4.253 -8.100 307 HG2 ARG 44 1HG ARG 44 11.991 -5.817 -9.640 308 HG3 ARG 44 2HG ARG 44 13.741 -5.813 -9.871 309 HD2 ARG 44 1HD ARG 44 13.630 -7.737 -8.070 310 HD3 ARG 44 2HD ARG 44 11.979 -7.892 -8.667 311 HE ARG 44 HE ARG 44 13.581 -7.841 -10.905 312 HH11 ARG 44 1HH1 ARG 44 13.278 -9.870 -8.065 313 HH12 ARG 44 2HH1 ARG 44 13.854 -11.291 -8.870 314 HH21 ARG 44 1HH2 ARG 44 14.338 -9.717 -11.958 315 HH22 ARG 44 2HH2 ARG 44 14.456 -11.205 -11.078 316 HA PRO 45 HA PRO 45 16.802 -1.675 -6.706 317 HB2 PRO 45 1HB PRO 45 17.594 -0.764 -9.182 318 HB3 PRO 45 2HB PRO 45 18.547 -1.846 -8.162 319 HG2 PRO 45 1HG PRO 45 16.801 -2.485 -10.499 320 HG3 PRO 45 2HG PRO 45 18.366 -3.179 -10.043 321 HD2 PRO 45 1HD PRO 45 16.033 -4.461 -9.594 322 HD3 PRO 45 2HD PRO 45 17.423 -4.615 -8.502 323 H VAL 46 H VAL 46 15.221 -1.436 -9.919 324 HA VAL 46 HA VAL 46 13.560 0.746 -8.832 325 HB VAL 46 HB VAL 46 13.552 1.777 -11.077 326 HG11 VAL 46 1HG1 VAL 46 16.435 1.511 -10.382 327 HG12 VAL 46 2HG1 VAL 46 15.328 2.182 -9.186 328 HG13 VAL 46 3HG1 VAL 46 15.493 2.952 -10.765 329 HG21 VAL 46 3HG2 VAL 46 14.859 -0.691 -11.799 330 HG22 VAL 46 1HG2 VAL 46 15.820 0.700 -12.300 331 HG23 VAL 46 2HG2 VAL 46 14.145 0.545 -12.835 332 HA PRO 47 HA PRO 47 10.047 -1.458 -10.352 333 HB2 PRO 47 1HB PRO 47 8.650 0.950 -11.158 334 HB3 PRO 47 2HB PRO 47 8.392 -0.051 -9.728 335 HG2 PRO 47 1HG PRO 47 9.392 2.486 -9.634 336 HG3 PRO 47 2HG PRO 47 9.756 1.244 -8.423 337 HD2 PRO 47 1HD PRO 47 11.407 2.170 -10.745 338 HD3 PRO 47 2HD PRO 47 11.913 1.776 -9.087 339 H GLU 48 H GLU 48 11.934 -1.588 -12.294 340 HA GLU 48 HA GLU 48 11.150 -0.492 -14.794 341 HB2 GLU 48 1HB GLU 48 13.445 -1.356 -14.190 342 HB3 GLU 48 2HB GLU 48 12.801 -2.983 -14.345 343 HG2 GLU 48 1HG GLU 48 13.829 -2.585 -16.387 344 HG3 GLU 48 2HG GLU 48 12.120 -2.300 -16.708 345 H ASP 49 H ASP 49 10.367 -3.435 -13.050 346 HA ASP 49 HA ASP 49 8.904 -4.546 -15.307 347 HB2 ASP 49 1HB ASP 49 8.477 -6.456 -13.734 348 HB3 ASP 49 2HB ASP 49 10.176 -6.141 -14.063 349 H GLN 50 H GLN 50 8.046 -2.057 -13.710 350 HA GLN 50 HA GLN 50 5.808 -2.559 -12.160 351 HB2 GLN 50 1HB GLN 50 6.998 -0.281 -13.434 352 HB3 GLN 50 2HB GLN 50 5.261 -0.232 -13.696 353 HG2 GLN 50 1HG GLN 50 5.149 -0.723 -11.137 354 HG3 GLN 50 2HG GLN 50 6.795 -0.095 -11.150 355 HE21 GLN 50 2HE2 GLN 50 6.959 1.997 -10.772 356 HE22 GLN 50 1HE2 GLN 50 5.758 3.190 -11.109 357 H SER 51 H SER 51 4.491 -4.177 -12.906 358 HA SER 51 HA SER 51 2.865 -3.525 -15.261 359 HB2 SER 51 1HB SER 51 4.739 -5.457 -15.407 360 HB3 SER 51 2HB SER 51 3.403 -6.402 -14.746 361 HG SER 51 HG SER 51 3.715 -5.973 -17.205 362 H VAL 52 H VAL 52 0.756 -4.608 -15.276 363 HA VAL 52 HA VAL 52 -1.201 -5.319 -14.341 364 HB VAL 52 HB VAL 52 0.360 -6.060 -11.858 365 HG11 VAL 52 1HG1 VAL 52 -2.410 -6.494 -12.798 366 HG12 VAL 52 2HG1 VAL 52 -1.780 -6.305 -11.162 367 HG13 VAL 52 3HG1 VAL 52 -1.623 -7.852 -11.994 368 HG21 VAL 52 3HG2 VAL 52 1.217 -7.091 -14.018 369 HG22 VAL 52 1HG2 VAL 52 -0.330 -7.931 -14.111 370 HG23 VAL 52 2HG2 VAL 52 0.748 -8.212 -12.743 371 H GLU 53 H GLU 53 -2.844 -4.411 -13.082 372 HA GLU 53 HA GLU 53 -2.501 -1.754 -12.277 373 HB2 GLU 53 1HB GLU 53 -4.774 -1.893 -11.371 374 HB3 GLU 53 2HB GLU 53 -4.675 -2.638 -12.959 375 HG2 GLU 53 1HG GLU 53 -4.520 -4.858 -11.825 376 HG3 GLU 53 2HG GLU 53 -4.827 -4.035 -10.297 377 H VAL 54 H VAL 54 -2.694 -4.722 -10.317 378 HA VAL 54 HA VAL 54 -1.783 -3.146 -7.998 379 HB VAL 54 HB VAL 54 -2.702 -4.928 -6.568 380 HG11 VAL 54 1HG1 VAL 54 -4.068 -2.920 -7.778 381 HG12 VAL 54 2HG1 VAL 54 -4.727 -3.954 -6.513 382 HG13 VAL 54 3HG1 VAL 54 -5.060 -4.312 -8.206 383 HG21 VAL 54 3HG2 VAL 54 -3.740 -6.082 -9.156 384 HG22 VAL 54 1HG2 VAL 54 -4.188 -6.632 -7.543 385 HG23 VAL 54 2HG2 VAL 54 -2.524 -6.804 -8.102 386 H ASP 55 H ASP 55 -0.363 -4.312 -6.467 387 HA ASP 55 HA ASP 55 1.177 -6.524 -7.574 388 HB2 ASP 55 1HB ASP 55 3.329 -5.326 -7.171 389 HB3 ASP 55 2HB ASP 55 2.366 -4.618 -8.467 390 H ARG 56 H ARG 56 2.462 -7.629 -6.006 391 HA ARG 56 HA ARG 56 1.518 -7.183 -3.269 392 HB2 ARG 56 1HB ARG 56 1.290 -9.449 -4.308 393 HB3 ARG 56 2HB ARG 56 3.044 -9.550 -4.370 394 HG2 ARG 56 1HG ARG 56 3.061 -9.256 -1.883 395 HG3 ARG 56 2HG ARG 56 1.303 -9.409 -1.921 396 HD2 ARG 56 1HD ARG 56 2.501 -11.540 -3.423 397 HD3 ARG 56 2HD ARG 56 3.221 -11.468 -1.815 398 HE ARG 56 HE ARG 56 0.557 -11.298 -1.328 399 HH11 ARG 56 1HH1 ARG 56 2.538 -13.566 -3.114 400 HH12 ARG 56 2HH1 ARG 56 1.487 -14.909 -2.815 401 HH21 ARG 56 1HH2 ARG 56 -0.823 -13.071 -0.937 402 HH22 ARG 56 2HH2 ARG 56 -0.421 -14.628 -1.580 403 H VAL 57 H VAL 57 2.780 -6.297 -1.789 404 HA VAL 57 HA VAL 57 5.698 -6.468 -2.083 405 HB VAL 57 HB VAL 57 5.845 -4.076 -1.270 406 HG11 VAL 57 1HG1 VAL 57 6.125 -3.367 -3.394 407 HG12 VAL 57 2HG1 VAL 57 4.530 -3.916 -3.904 408 HG13 VAL 57 3HG1 VAL 57 5.857 -5.069 -3.768 409 HG21 VAL 57 3HG2 VAL 57 2.921 -4.328 -1.594 410 HG22 VAL 57 1HG2 VAL 57 3.647 -2.837 -2.192 411 HG23 VAL 57 2HG2 VAL 57 3.862 -3.308 -0.508 412 H LYS 58 H LYS 58 6.829 -5.743 -0.036 413 HA LYS 58 HA LYS 58 5.286 -6.679 2.300 414 HB2 LYS 58 1HB LYS 58 7.715 -7.037 3.220 415 HB3 LYS 58 2HB LYS 58 6.991 -8.220 2.139 416 HG2 LYS 58 1HG LYS 58 8.177 -7.141 0.244 417 HG3 LYS 58 2HG LYS 58 8.980 -6.080 1.402 418 HD2 LYS 58 1HD LYS 58 10.440 -7.918 0.845 419 HD3 LYS 58 2HD LYS 58 9.918 -8.079 2.521 420 HE2 LYS 58 1HE LYS 58 8.809 -9.994 2.124 421 HE3 LYS 58 2HE LYS 58 8.184 -9.423 0.578 422 HZ1 LYS 58 3HZ LYS 58 9.893 -11.362 0.671 423 HZ2 LYS 58 1HZ LYS 58 11.032 -10.115 0.791 424 HZ3 LYS 58 2HZ LYS 58 10.003 -10.197 -0.550 425 H VAL 59 H VAL 59 4.963 -5.331 3.951 426 HA VAL 59 HA VAL 59 6.302 -2.723 3.881 427 HB VAL 59 HB VAL 59 4.521 -2.002 5.484 428 HG11 VAL 59 1HG1 VAL 59 3.596 -3.087 2.827 429 HG12 VAL 59 2HG1 VAL 59 4.331 -1.511 3.120 430 HG13 VAL 59 3HG1 VAL 59 2.743 -1.882 3.793 431 HG21 VAL 59 3HG2 VAL 59 2.556 -3.368 5.801 432 HG22 VAL 59 1HG2 VAL 59 3.976 -4.254 6.351 433 HG23 VAL 59 2HG2 VAL 59 3.240 -4.646 4.799 434 H LEU 60 H LEU 60 7.418 -1.894 5.590 435 HA LEU 60 HA LEU 60 8.226 -3.827 7.640 436 HB2 LEU 60 1HB LEU 60 9.830 -2.446 6.119 437 HB3 LEU 60 2HB LEU 60 9.492 -1.141 7.239 438 HG LEU 60 HG LEU 60 10.545 -3.813 8.154 439 HD11 LEU 60 1HD1 LEU 60 12.767 -2.885 8.132 440 HD12 LEU 60 2HD1 LEU 60 12.160 -1.350 7.510 441 HD13 LEU 60 3HD1 LEU 60 12.088 -2.798 6.507 442 HD21 LEU 60 3HD2 LEU 60 11.442 -2.007 9.915 443 HD22 LEU 60 1HD2 LEU 60 9.884 -2.816 10.075 444 HD23 LEU 60 2HD2 LEU 60 9.968 -1.192 9.396 445 H ARG 61 H ARG 61 7.626 -3.643 9.705 446 HA ARG 61 HA ARG 61 6.221 -1.190 10.524 447 HB2 ARG 61 1HB ARG 61 5.031 -3.456 10.558 448 HB3 ARG 61 2HB ARG 61 6.066 -3.859 11.918 449 HG2 ARG 61 1HG ARG 61 4.978 -2.473 13.344 450 HG3 ARG 61 2HG ARG 61 4.576 -1.308 12.081 451 HD2 ARG 61 1HD ARG 61 3.215 -3.700 11.454 452 HD3 ARG 61 2HD ARG 61 2.974 -3.415 13.176 453 HE ARG 61 HE ARG 61 1.678 -1.596 12.669 454 HH11 ARG 61 1HH1 ARG 61 3.419 -2.570 9.792 455 HH12 ARG 61 2HH1 ARG 61 2.534 -1.516 8.747 456 HH21 ARG 61 1HH2 ARG 61 0.515 -0.198 11.286 457 HH22 ARG 61 2HH2 ARG 61 0.886 -0.161 9.595 458 H LEU 62 H LEU 62 8.305 -3.738 11.928 459 HA LEU 62 HA LEU 62 9.297 -1.774 13.869 460 HB2 LEU 62 1HB LEU 62 9.412 -4.786 13.809 461 HB3 LEU 62 2HB LEU 62 10.306 -3.823 14.968 462 HG LEU 62 HG LEU 62 8.019 -2.830 15.621 463 HD11 LEU 62 1HD1 LEU 62 6.589 -3.537 13.914 464 HD12 LEU 62 2HD1 LEU 62 6.190 -4.582 15.277 465 HD13 LEU 62 3HD1 LEU 62 7.197 -5.192 13.963 466 HD21 LEU 62 3HD2 LEU 62 9.010 -4.128 17.249 467 HD22 LEU 62 1HD2 LEU 62 9.040 -5.570 16.233 468 HD23 LEU 62 2HD2 LEU 62 7.521 -5.022 16.942 469 H ILE 63 H ILE 63 10.821 -4.594 12.286 470 HA ILE 63 HA ILE 63 12.911 -2.887 11.182 471 HB ILE 63 HB ILE 63 14.693 -4.425 12.084 472 HG12 ILE 63 1HG1 ILE 63 12.817 -5.147 14.297 473 HG13 ILE 63 2HG1 ILE 63 12.777 -6.096 12.815 474 HG21 ILE 63 1HG2 ILE 63 13.128 -2.693 13.984 475 HG22 ILE 63 2HG2 ILE 63 14.513 -2.234 12.992 476 HG23 ILE 63 3HG2 ILE 63 14.726 -3.348 14.343 477 HD11 ILE 63 3HD1 ILE 63 14.244 -6.953 14.682 478 HD12 ILE 63 1HD1 ILE 63 15.314 -5.598 14.331 479 HD13 ILE 63 2HD1 ILE 63 14.995 -6.811 13.093 480 H LYS 64 H LYS 64 14.536 -4.298 9.917 481 HA LYS 64 HA LYS 64 13.766 -6.863 9.004 482 HB2 LYS 64 1HB LYS 64 11.978 -5.493 7.921 483 HB3 LYS 64 2HB LYS 64 13.228 -4.615 7.050 484 HG2 LYS 64 1HG LYS 64 13.832 -6.517 5.794 485 HG3 LYS 64 2HG LYS 64 12.907 -7.595 6.844 486 HD2 LYS 64 1HD LYS 64 10.969 -5.882 6.025 487 HD3 LYS 64 2HD LYS 64 12.018 -5.902 4.607 488 HE2 LYS 64 1HE LYS 64 11.598 -8.092 4.154 489 HE3 LYS 64 2HE LYS 64 11.372 -8.512 5.852 490 HZ1 LYS 64 3HZ LYS 64 9.203 -7.523 5.813 491 HZ2 LYS 64 1HZ LYS 64 9.312 -8.630 4.538 492 HZ3 LYS 64 2HZ LYS 64 9.419 -6.970 4.232 493 H GLY 65 H GLY 65 15.926 -7.363 9.266 494 HA2 GLY 65 1HA GLY 65 17.688 -7.456 7.282 495 HA3 GLY 65 2HA GLY 65 17.937 -5.807 7.832 496 H GLY 66 H GLY 66 20.143 -7.055 7.989 497 HA2 GLY 66 1HA GLY 66 20.415 -7.874 10.811 498 HA3 GLY 66 2HA GLY 66 21.205 -8.782 9.535 Start of MODEL 13 1 H1 MET 1 1H MET 1 -7.723 -1.942 -5.345 2 H2 MET 1 2H MET 1 -9.359 -1.626 -4.931 3 H3 MET 1 3H MET 1 -8.362 -2.538 -3.870 4 HA MET 1 HA MET 1 -7.852 0.256 -4.631 5 HB2 MET 1 1HB MET 1 -9.447 -0.969 -2.392 6 HB3 MET 1 2HB MET 1 -8.664 0.591 -2.178 7 HG2 MET 1 1HG MET 1 -10.240 0.368 -4.634 8 HG3 MET 1 2HG MET 1 -11.177 0.204 -3.149 9 HE1 MET 1 3HE MET 1 -12.021 3.711 -2.513 10 HE2 MET 1 1HE MET 1 -12.156 2.028 -2.003 11 HE3 MET 1 2HE MET 1 -12.602 2.490 -3.645 12 H ASN 2 H ASN 2 -7.540 -1.787 -1.720 13 HA ASN 2 HA ASN 2 -4.789 -0.879 -1.398 14 HB2 ASN 2 1HB ASN 2 -6.567 -2.530 0.415 15 HB3 ASN 2 2HB ASN 2 -4.937 -1.998 0.813 16 HD21 ASN 2 2HD2 ASN 2 -4.721 -0.115 1.823 17 HD22 ASN 2 1HD2 ASN 2 -5.947 1.092 1.966 18 H VAL 3 H VAL 3 -3.020 -2.286 -1.204 19 HA VAL 3 HA VAL 3 -3.408 -4.872 -2.542 20 HB VAL 3 HB VAL 3 -0.945 -4.842 -2.915 21 HG11 VAL 3 1HG1 VAL 3 -1.947 -2.288 -4.057 22 HG12 VAL 3 2HG1 VAL 3 -2.826 -3.771 -4.423 23 HG13 VAL 3 3HG1 VAL 3 -1.119 -3.633 -4.840 24 HG21 VAL 3 3HG2 VAL 3 -0.737 -3.063 -0.946 25 HG22 VAL 3 1HG2 VAL 3 -0.820 -1.943 -2.305 26 HG23 VAL 3 2HG2 VAL 3 0.444 -3.170 -2.248 27 H THR 4 H THR 4 -2.764 -6.778 -1.638 28 HA THR 4 HA THR 4 -2.558 -6.851 1.215 29 HB THR 4 HB THR 4 -1.991 -9.236 -0.511 30 HG1 THR 4 HG1 THR 4 -3.809 -8.957 -1.495 31 HG21 THR 4 3HG2 THR 4 -3.515 -8.828 2.045 32 HG22 THR 4 1HG2 THR 4 -1.988 -9.685 1.824 33 HG23 THR 4 2HG2 THR 4 -3.475 -10.343 1.143 34 H VAL 5 H VAL 5 -0.763 -6.438 2.284 35 HA VAL 5 HA VAL 5 1.817 -7.232 1.097 36 HB VAL 5 HB VAL 5 2.841 -5.426 2.465 37 HG11 VAL 5 1HG1 VAL 5 2.219 -5.109 0.091 38 HG12 VAL 5 2HG1 VAL 5 2.183 -3.613 1.021 39 HG13 VAL 5 3HG1 VAL 5 0.677 -4.433 0.616 40 HG21 VAL 5 3HG2 VAL 5 1.035 -5.301 4.167 41 HG22 VAL 5 1HG2 VAL 5 0.004 -4.534 2.963 42 HG23 VAL 5 2HG2 VAL 5 1.478 -3.731 3.499 43 H GLU 6 H GLU 6 3.219 -8.431 2.289 44 HA GLU 6 HA GLU 6 2.175 -9.700 4.662 45 HB2 GLU 6 1HB GLU 6 4.532 -10.105 2.879 46 HB3 GLU 6 2HB GLU 6 4.606 -10.761 4.508 47 HG2 GLU 6 1HG GLU 6 3.298 -12.465 3.969 48 HG3 GLU 6 2HG GLU 6 2.096 -11.404 3.235 49 H VAL 7 H VAL 7 2.360 -8.816 6.594 50 HA VAL 7 HA VAL 7 4.430 -6.852 7.159 51 HB VAL 7 HB VAL 7 2.290 -7.850 9.047 52 HG11 VAL 7 1HG1 VAL 7 4.295 -5.668 9.091 53 HG12 VAL 7 2HG1 VAL 7 3.657 -6.654 10.408 54 HG13 VAL 7 3HG1 VAL 7 2.702 -5.318 9.765 55 HG21 VAL 7 3HG2 VAL 7 0.728 -6.754 7.915 56 HG22 VAL 7 1HG2 VAL 7 1.905 -6.422 6.643 57 HG23 VAL 7 2HG2 VAL 7 1.688 -5.275 7.965 58 H VAL 8 H VAL 8 6.176 -7.168 8.430 59 HA VAL 8 HA VAL 8 7.151 -9.734 8.938 60 HB VAL 8 HB VAL 8 7.955 -7.230 10.442 61 HG11 VAL 8 1HG1 VAL 8 9.772 -8.342 11.184 62 HG12 VAL 8 2HG1 VAL 8 9.939 -9.281 9.701 63 HG13 VAL 8 3HG1 VAL 8 8.759 -9.762 10.922 64 HG21 VAL 8 3HG2 VAL 8 8.418 -8.062 7.642 65 HG22 VAL 8 1HG2 VAL 8 9.817 -7.439 8.517 66 HG23 VAL 8 2HG2 VAL 8 8.366 -6.450 8.355 67 H GLY 9 H GLY 9 6.546 -11.207 10.375 68 HA2 GLY 9 1HA GLY 9 6.356 -11.758 12.761 69 HA3 GLY 9 2HA GLY 9 5.386 -10.296 12.940 70 H GLU 10 H GLU 10 3.272 -10.650 13.110 71 HA GLU 10 HA GLU 10 2.127 -12.998 11.742 72 HB2 GLU 10 1HB GLU 10 2.268 -12.778 14.413 73 HB3 GLU 10 2HB GLU 10 0.768 -11.900 14.149 74 HG2 GLU 10 1HG GLU 10 -0.318 -13.773 13.288 75 HG3 GLU 10 2HG GLU 10 1.196 -14.615 12.964 76 H GLU 11 H GLU 11 -0.144 -12.804 11.136 77 HA GLU 11 HA GLU 11 -1.943 -11.786 10.201 78 HB2 GLU 11 1HB GLU 11 -1.896 -10.463 12.377 79 HB3 GLU 11 2HB GLU 11 -1.076 -9.196 11.476 80 HG2 GLU 11 1HG GLU 11 -2.990 -9.037 9.960 81 HG3 GLU 11 2HG GLU 11 -3.814 -10.296 10.879 82 H THR 12 H THR 12 -2.549 -10.413 8.442 83 HA THR 12 HA THR 12 -0.244 -9.351 6.938 84 HB THR 12 HB THR 12 -2.787 -10.566 5.825 85 HG1 THR 12 HG1 THR 12 -1.482 -12.179 6.661 86 HG21 THR 12 3HG2 THR 12 -1.558 -10.594 3.689 87 HG22 THR 12 1HG2 THR 12 -0.288 -9.629 4.441 88 HG23 THR 12 2HG2 THR 12 -1.913 -8.967 4.268 89 H SER 13 H SER 13 -0.352 -7.308 6.176 90 HA SER 13 HA SER 13 -2.803 -5.788 6.775 91 HB2 SER 13 1HB SER 13 -0.745 -5.084 7.984 92 HB3 SER 13 2HB SER 13 0.021 -4.747 6.433 93 HG SER 13 HG SER 13 -1.035 -2.935 6.325 94 H GLU 14 H GLU 14 -3.291 -3.953 5.323 95 HA GLU 14 HA GLU 14 -2.448 -4.473 2.552 96 HB2 GLU 14 1HB GLU 14 -5.190 -4.197 3.681 97 HB3 GLU 14 2HB GLU 14 -4.888 -3.536 2.080 98 HG2 GLU 14 1HG GLU 14 -4.644 -5.569 1.127 99 HG3 GLU 14 2HG GLU 14 -3.927 -6.282 2.571 100 H VAL 15 H VAL 15 -1.783 -2.764 1.414 101 HA VAL 15 HA VAL 15 -2.281 -0.082 2.532 102 HB VAL 15 HB VAL 15 0.053 -0.732 2.910 103 HG11 VAL 15 1HG1 VAL 15 1.585 -1.061 1.021 104 HG12 VAL 15 2HG1 VAL 15 0.218 -0.993 -0.090 105 HG13 VAL 15 3HG1 VAL 15 0.338 -2.306 1.081 106 HG21 VAL 15 3HG2 VAL 15 -0.386 1.608 2.570 107 HG22 VAL 15 1HG2 VAL 15 -0.324 1.408 0.819 108 HG23 VAL 15 2HG2 VAL 15 1.136 1.197 1.783 109 H ALA 16 H ALA 16 -2.676 1.574 1.083 110 HA ALA 16 HA ALA 16 -3.625 0.737 -1.517 111 HB1 ALA 16 3HB ALA 16 -5.150 2.194 -0.653 112 HB2 ALA 16 1HB ALA 16 -4.152 3.324 -1.567 113 HB3 ALA 16 2HB ALA 16 -3.929 3.160 0.175 114 H VAL 17 H VAL 17 -2.686 1.173 -3.428 115 HA VAL 17 HA VAL 17 -0.218 2.781 -3.388 116 HB VAL 17 HB VAL 17 0.610 1.327 -5.252 117 HG11 VAL 17 1HG1 VAL 17 1.731 0.059 -3.770 118 HG12 VAL 17 2HG1 VAL 17 0.261 -0.544 -3.008 119 HG13 VAL 17 3HG1 VAL 17 0.884 1.049 -2.582 120 HG21 VAL 17 3HG2 VAL 17 -1.490 0.368 -5.986 121 HG22 VAL 17 1HG2 VAL 17 -1.707 -0.423 -4.425 122 HG23 VAL 17 2HG2 VAL 17 -0.388 -0.912 -5.488 123 H ASP 18 H ASP 18 0.408 3.741 -5.422 124 HA ASP 18 HA ASP 18 -1.819 5.037 -6.701 125 HB2 ASP 18 1HB ASP 18 1.165 5.249 -7.170 126 HB3 ASP 18 2HB ASP 18 -0.042 6.278 -7.932 127 H ASP 19 H ASP 19 0.519 2.553 -7.559 128 HA ASP 19 HA ASP 19 0.204 2.484 -10.325 129 HB2 ASP 19 1HB ASP 19 0.802 0.254 -8.368 130 HB3 ASP 19 2HB ASP 19 0.885 0.063 -10.117 131 H ASP 20 H ASP 20 -1.799 1.101 -7.775 132 HA ASP 20 HA ASP 20 -3.410 -0.611 -9.258 133 HB2 ASP 20 1HB ASP 20 -3.364 -0.245 -6.718 134 HB3 ASP 20 2HB ASP 20 -4.453 1.108 -6.999 135 H GLY 21 H GLY 21 -3.873 2.863 -8.583 136 HA2 GLY 21 1HA GLY 21 -4.823 4.447 -10.017 137 HA3 GLY 21 2HA GLY 21 -5.324 3.140 -11.091 138 H THR 22 H THR 22 -6.030 2.916 -7.698 139 HA THR 22 HA THR 22 -8.881 3.062 -8.294 140 HB THR 22 HB THR 22 -8.888 2.344 -5.729 141 HG1 THR 22 HG1 THR 22 -6.644 2.560 -5.450 142 HG21 THR 22 3HG2 THR 22 -8.691 0.814 -8.189 143 HG22 THR 22 1HG2 THR 22 -9.741 0.589 -6.790 144 HG23 THR 22 2HG2 THR 22 -8.103 -0.064 -6.780 145 H TYR 23 H TYR 23 -10.171 3.924 -6.225 146 HA TYR 23 HA TYR 23 -9.919 6.705 -6.219 147 HB2 TYR 23 1HB TYR 23 -11.578 4.726 -4.860 148 HB3 TYR 23 2HB TYR 23 -11.251 6.130 -3.850 149 HD1 TYR 23 HD1 TYR 23 -12.588 5.102 -7.157 150 HD2 TYR 23 HD2 TYR 23 -12.381 8.163 -4.209 151 HE1 TYR 23 HE1 TYR 23 -14.333 6.359 -8.348 152 HE2 TYR 23 HE2 TYR 23 -14.124 9.429 -5.392 153 HH TYR 23 HH TYR 23 -16.153 8.211 -7.532 154 H ALA 24 H ALA 24 -8.506 4.293 -4.090 155 HA ALA 24 HA ALA 24 -7.711 5.933 -1.965 156 HB1 ALA 24 3HB ALA 24 -7.612 3.521 -1.811 157 HB2 ALA 24 1HB ALA 24 -6.015 4.205 -1.510 158 HB3 ALA 24 2HB ALA 24 -6.377 3.463 -3.069 159 H ASP 25 H ASP 25 -6.231 5.334 -5.107 160 HA ASP 25 HA ASP 25 -3.714 6.474 -4.657 161 HB2 ASP 25 1HB ASP 25 -4.181 5.152 -6.641 162 HB3 ASP 25 2HB ASP 25 -5.382 6.311 -7.184 163 H LEU 26 H LEU 26 -6.764 7.958 -5.738 164 HA LEU 26 HA LEU 26 -5.780 10.556 -6.165 165 HB2 LEU 26 1HB LEU 26 -8.079 9.509 -6.754 166 HB3 LEU 26 2HB LEU 26 -8.554 10.016 -5.145 167 HG LEU 26 HG LEU 26 -7.456 12.317 -6.186 168 HD11 LEU 26 1HD1 LEU 26 -7.845 12.558 -8.397 169 HD12 LEU 26 2HD1 LEU 26 -9.261 11.507 -8.375 170 HD13 LEU 26 3HD1 LEU 26 -7.643 10.807 -8.398 171 HD21 LEU 26 3HD2 LEU 26 -10.215 11.260 -5.812 172 HD22 LEU 26 1HD2 LEU 26 -10.004 12.803 -6.639 173 HD23 LEU 26 2HD2 LEU 26 -9.393 12.592 -4.999 174 H VAL 27 H VAL 27 -7.057 8.987 -3.256 175 HA VAL 27 HA VAL 27 -7.018 11.306 -1.617 176 HB VAL 27 HB VAL 27 -6.818 8.430 -0.704 177 HG11 VAL 27 1HG1 VAL 27 -7.868 9.278 1.354 178 HG12 VAL 27 2HG1 VAL 27 -7.774 10.917 0.710 179 HG13 VAL 27 3HG1 VAL 27 -6.296 10.017 1.048 180 HG21 VAL 27 3HG2 VAL 27 -8.848 9.408 -2.229 181 HG22 VAL 27 1HG2 VAL 27 -9.437 9.754 -0.603 182 HG23 VAL 27 2HG2 VAL 27 -9.012 8.103 -1.057 183 H ARG 28 H ARG 28 -4.757 8.564 -1.934 184 HA ARG 28 HA ARG 28 -2.857 9.467 -0.078 185 HB2 ARG 28 1HB ARG 28 -2.734 7.597 -2.421 186 HB3 ARG 28 2HB ARG 28 -1.266 8.028 -1.554 187 HG2 ARG 28 1HG ARG 28 -2.239 7.186 0.523 188 HG3 ARG 28 2HG ARG 28 -3.716 6.759 -0.342 189 HD2 ARG 28 1HD ARG 28 -2.810 4.776 -0.769 190 HD3 ARG 28 2HD ARG 28 -1.633 5.589 -1.797 191 HE ARG 28 HE ARG 28 -1.223 4.620 0.915 192 HH11 ARG 28 1HH1 ARG 28 0.054 6.456 -1.784 193 HH12 ARG 28 2HH1 ARG 28 1.689 6.363 -1.228 194 HH21 ARG 28 1HH2 ARG 28 0.931 4.502 1.639 195 HH22 ARG 28 2HH2 ARG 28 2.190 5.250 0.715 196 H ALA 29 H ALA 29 -3.276 10.207 -3.507 197 HA ALA 29 HA ALA 29 -0.823 11.427 -4.031 198 HB1 ALA 29 3HB ALA 29 -3.342 12.521 -5.212 199 HB2 ALA 29 1HB ALA 29 -2.818 10.883 -5.606 200 HB3 ALA 29 2HB ALA 29 -1.770 12.255 -5.966 201 H VAL 30 H VAL 30 -3.595 12.627 -2.257 202 HA VAL 30 HA VAL 30 -2.482 15.328 -2.144 203 HB VAL 30 HB VAL 30 -5.036 14.373 -0.853 204 HG11 VAL 30 1HG1 VAL 30 -5.471 16.931 -1.532 205 HG12 VAL 30 2HG1 VAL 30 -3.725 16.983 -1.290 206 HG13 VAL 30 3HG1 VAL 30 -4.780 16.445 0.016 207 HG21 VAL 30 3HG2 VAL 30 -5.426 13.824 -3.084 208 HG22 VAL 30 1HG2 VAL 30 -4.511 15.205 -3.686 209 HG23 VAL 30 2HG2 VAL 30 -6.091 15.451 -2.942 210 H ASP 31 H ASP 31 -1.306 12.903 -0.754 211 HA ASP 31 HA ASP 31 -0.295 12.377 1.196 212 HB2 ASP 31 1HB ASP 31 0.418 14.822 0.890 213 HB3 ASP 31 2HB ASP 31 -0.788 15.206 2.114 214 H LEU 32 H LEU 32 -2.886 11.588 1.126 215 HA LEU 32 HA LEU 32 -3.791 12.053 3.894 216 HB2 LEU 32 1HB LEU 32 -5.320 11.970 1.339 217 HB3 LEU 32 2HB LEU 32 -6.078 11.288 2.761 218 HG LEU 32 HG LEU 32 -5.088 13.816 3.535 219 HD11 LEU 32 1HD1 LEU 32 -6.633 13.939 0.947 220 HD12 LEU 32 2HD1 LEU 32 -4.935 14.366 1.151 221 HD13 LEU 32 3HD1 LEU 32 -6.185 15.309 1.963 222 HD21 LEU 32 3HD2 LEU 32 -7.848 12.758 2.947 223 HD22 LEU 32 1HD2 LEU 32 -7.535 14.312 3.719 224 HD23 LEU 32 2HD2 LEU 32 -7.027 12.817 4.507 225 H SER 33 H SER 33 -1.956 10.068 3.399 226 HA SER 33 HA SER 33 -3.362 7.565 2.985 227 HB2 SER 33 1HB SER 33 -0.853 8.239 2.369 228 HB3 SER 33 2HB SER 33 -0.555 7.602 3.987 229 HG SER 33 HG SER 33 -1.076 5.638 3.328 230 HA PRO 34 HA PRO 34 -4.185 7.277 7.380 231 HB2 PRO 34 1HB PRO 34 -5.726 5.074 7.294 232 HB3 PRO 34 2HB PRO 34 -6.307 6.647 6.736 233 HG2 PRO 34 1HG PRO 34 -5.302 4.324 5.146 234 HG3 PRO 34 2HG PRO 34 -6.666 5.404 4.813 235 HD2 PRO 34 1HD PRO 34 -4.194 5.632 3.636 236 HD3 PRO 34 2HD PRO 34 -5.332 6.980 3.833 237 H HIS 35 H HIS 35 -2.981 4.563 5.430 238 HA HIS 35 HA HIS 35 -2.123 3.061 7.735 239 HB2 HIS 35 1HB HIS 35 -2.439 2.557 4.929 240 HB3 HIS 35 2HB HIS 35 -0.802 2.120 5.405 241 HD1 HIS 35 HD1 HIS 35 -4.356 1.109 5.813 242 HD2 HIS 35 HD2 HIS 35 -0.621 -0.021 7.241 243 HE1 HIS 35 HE1 HIS 35 -4.703 -1.128 6.904 244 HE2 HIS 35 HE2 HIS 35 -2.403 -1.857 7.629 245 H GLU 36 H GLU 36 -0.559 5.040 5.240 246 HA GLU 36 HA GLU 36 1.548 5.862 5.014 247 HB2 GLU 36 1HB GLU 36 0.484 6.857 7.274 248 HB3 GLU 36 2HB GLU 36 1.898 6.066 7.956 249 HG2 GLU 36 1HG GLU 36 2.985 7.384 5.844 250 HG3 GLU 36 2HG GLU 36 1.690 8.481 6.315 251 H VAL 37 H VAL 37 1.935 3.417 4.503 252 HA VAL 37 HA VAL 37 4.155 2.495 6.221 253 HB VAL 37 HB VAL 37 3.604 0.171 5.500 254 HG11 VAL 37 1HG1 VAL 37 2.914 0.685 7.667 255 HG12 VAL 37 2HG1 VAL 37 1.460 0.040 6.906 256 HG13 VAL 37 3HG1 VAL 37 1.651 1.780 7.107 257 HG21 VAL 37 3HG2 VAL 37 2.235 1.053 3.497 258 HG22 VAL 37 1HG2 VAL 37 0.912 1.178 4.656 259 HG23 VAL 37 2HG2 VAL 37 1.666 -0.385 4.342 260 H THR 38 H THR 38 5.977 1.664 5.217 261 HA THR 38 HA THR 38 6.406 2.570 2.495 262 HB THR 38 HB THR 38 8.425 1.108 4.190 263 HG1 THR 38 HG1 THR 38 8.723 2.823 5.394 264 HG21 THR 38 3HG2 THR 38 8.975 3.447 2.423 265 HG22 THR 38 1HG2 THR 38 8.831 1.827 1.741 266 HG23 THR 38 2HG2 THR 38 10.059 2.164 2.961 267 H VAL 39 H VAL 39 6.518 1.318 0.715 268 HA VAL 39 HA VAL 39 5.957 -1.529 1.030 269 HB VAL 39 HB VAL 39 5.416 -1.553 -1.338 270 HG11 VAL 39 1HG1 VAL 39 3.417 -0.324 -1.245 271 HG12 VAL 39 2HG1 VAL 39 4.120 0.902 -0.190 272 HG13 VAL 39 3HG1 VAL 39 3.791 -0.715 0.432 273 HG21 VAL 39 3HG2 VAL 39 5.365 0.692 -2.554 274 HG22 VAL 39 1HG2 VAL 39 6.938 -0.080 -2.351 275 HG23 VAL 39 2HG2 VAL 39 6.470 1.261 -1.304 276 H LEU 40 H LEU 40 7.364 -3.117 0.602 277 HA LEU 40 HA LEU 40 10.016 -2.364 -0.429 278 HB2 LEU 40 1HB LEU 40 9.071 -4.335 1.574 279 HB3 LEU 40 2HB LEU 40 10.424 -4.830 0.570 280 HG LEU 40 HG LEU 40 11.214 -3.904 2.666 281 HD11 LEU 40 1HD1 LEU 40 11.880 -2.777 0.076 282 HD12 LEU 40 2HD1 LEU 40 12.931 -3.328 1.379 283 HD13 LEU 40 3HD1 LEU 40 12.274 -1.692 1.410 284 HD21 LEU 40 3HD2 LEU 40 9.635 -2.440 3.480 285 HD22 LEU 40 1HD2 LEU 40 9.438 -1.619 1.931 286 HD23 LEU 40 2HD2 LEU 40 10.878 -1.329 2.908 287 H VAL 41 H VAL 41 11.035 -3.616 -1.998 288 HA VAL 41 HA VAL 41 9.244 -5.314 -3.595 289 HB VAL 41 HB VAL 41 11.832 -4.053 -4.517 290 HG11 VAL 41 1HG1 VAL 41 10.936 -6.023 -5.764 291 HG12 VAL 41 2HG1 VAL 41 11.073 -4.549 -6.725 292 HG13 VAL 41 3HG1 VAL 41 9.498 -5.069 -6.127 293 HG21 VAL 41 3HG2 VAL 41 9.390 -2.862 -5.565 294 HG22 VAL 41 1HG2 VAL 41 10.838 -2.091 -4.922 295 HG23 VAL 41 2HG2 VAL 41 9.568 -2.632 -3.825 296 H ASP 42 H ASP 42 9.595 -7.440 -3.389 297 HA ASP 42 HA ASP 42 11.782 -8.507 -1.988 298 HB2 ASP 42 1HB ASP 42 9.721 -9.723 -1.997 299 HB3 ASP 42 2HB ASP 42 9.688 -9.774 -3.756 300 H GLY 43 H GLY 43 13.747 -8.771 -2.612 301 HA2 GLY 43 1HA GLY 43 15.589 -8.612 -3.990 302 HA3 GLY 43 2HA GLY 43 14.924 -10.131 -4.544 303 H ARG 44 H ARG 44 13.558 -6.902 -5.164 304 HA ARG 44 HA ARG 44 14.385 -7.159 -7.974 305 HB2 ARG 44 1HB ARG 44 11.726 -7.372 -6.950 306 HB3 ARG 44 2HB ARG 44 11.841 -5.905 -7.911 307 HG2 ARG 44 1HG ARG 44 13.100 -7.712 -9.511 308 HG3 ARG 44 2HG ARG 44 11.865 -8.707 -8.734 309 HD2 ARG 44 1HD ARG 44 10.388 -6.553 -9.344 310 HD3 ARG 44 2HD ARG 44 11.580 -6.461 -10.639 311 HE ARG 44 HE ARG 44 10.644 -8.318 -11.595 312 HH11 ARG 44 1HH1 ARG 44 9.452 -8.031 -8.313 313 HH12 ARG 44 2HH1 ARG 44 8.274 -9.288 -8.500 314 HH21 ARG 44 1HH2 ARG 44 9.088 -9.973 -11.837 315 HH22 ARG 44 2HH2 ARG 44 8.069 -10.393 -10.500 316 HA PRO 45 HA PRO 45 15.483 -2.885 -7.465 317 HB2 PRO 45 1HB PRO 45 15.756 -2.169 -10.064 318 HB3 PRO 45 2HB PRO 45 16.928 -3.194 -9.229 319 HG2 PRO 45 1HG PRO 45 14.773 -3.949 -11.144 320 HG3 PRO 45 2HG PRO 45 16.403 -4.618 -10.963 321 HD2 PRO 45 1HD PRO 45 14.114 -5.799 -9.981 322 HD3 PRO 45 2HD PRO 45 15.744 -6.087 -9.348 323 H VAL 46 H VAL 46 13.073 -3.515 -10.045 324 HA VAL 46 HA VAL 46 11.260 -1.580 -8.888 325 HB VAL 46 HB VAL 46 10.939 -0.459 -11.172 326 HG11 VAL 46 1HG1 VAL 46 13.555 0.196 -9.846 327 HG12 VAL 46 2HG1 VAL 46 11.996 0.542 -9.097 328 HG13 VAL 46 3HG1 VAL 46 12.421 1.292 -10.636 329 HG21 VAL 46 3HG2 VAL 46 13.597 -1.791 -11.590 330 HG22 VAL 46 1HG2 VAL 46 13.150 -0.319 -12.451 331 HG23 VAL 46 2HG2 VAL 46 12.186 -1.782 -12.647 332 HA PRO 47 HA PRO 47 8.818 -4.904 -10.746 333 HB2 PRO 47 1HB PRO 47 6.690 -4.697 -9.128 334 HB3 PRO 47 2HB PRO 47 8.200 -5.436 -8.583 335 HG2 PRO 47 1HG PRO 47 7.113 -2.709 -8.038 336 HG3 PRO 47 2HG PRO 47 7.994 -3.802 -6.958 337 HD2 PRO 47 1HD PRO 47 9.110 -1.653 -8.310 338 HD3 PRO 47 2HD PRO 47 10.022 -3.031 -7.663 339 H GLU 48 H GLU 48 8.551 -1.642 -11.072 340 HA GLU 48 HA GLU 48 5.873 -1.215 -11.828 341 HB2 GLU 48 1HB GLU 48 6.780 0.783 -13.026 342 HB3 GLU 48 2HB GLU 48 7.260 0.668 -11.338 343 HG2 GLU 48 1HG GLU 48 9.428 0.547 -11.846 344 HG3 GLU 48 2HG GLU 48 9.151 -0.605 -13.150 345 H ASP 49 H ASP 49 8.354 -2.954 -13.415 346 HA ASP 49 HA ASP 49 7.479 -2.514 -16.111 347 HB2 ASP 49 1HB ASP 49 9.322 -4.555 -14.859 348 HB3 ASP 49 2HB ASP 49 8.972 -4.507 -16.585 349 H GLN 50 H GLN 50 6.219 -4.342 -13.556 350 HA GLN 50 HA GLN 50 5.315 -6.669 -14.815 351 HB2 GLN 50 1HB GLN 50 5.185 -5.658 -12.291 352 HB3 GLN 50 2HB GLN 50 3.513 -5.486 -12.804 353 HG2 GLN 50 1HG GLN 50 3.416 -7.570 -11.930 354 HG3 GLN 50 2HG GLN 50 3.869 -7.984 -13.582 355 HE21 GLN 50 2HE2 GLN 50 4.467 -8.753 -10.512 356 HE22 GLN 50 1HE2 GLN 50 6.119 -9.250 -10.623 357 H SER 51 H SER 51 3.283 -7.243 -15.681 358 HA SER 51 HA SER 51 1.922 -5.037 -17.041 359 HB2 SER 51 1HB SER 51 1.923 -8.026 -17.523 360 HB3 SER 51 2HB SER 51 0.879 -6.904 -18.397 361 HG SER 51 HG SER 51 2.666 -7.094 -19.640 362 H VAL 52 H VAL 52 1.327 -5.108 -14.366 363 HA VAL 52 HA VAL 52 -1.503 -5.878 -14.409 364 HB VAL 52 HB VAL 52 -1.287 -6.562 -11.973 365 HG11 VAL 52 1HG1 VAL 52 0.266 -8.557 -13.496 366 HG12 VAL 52 2HG1 VAL 52 -1.263 -8.047 -14.209 367 HG13 VAL 52 3HG1 VAL 52 -1.234 -8.733 -12.584 368 HG21 VAL 52 3HG2 VAL 52 1.581 -7.166 -12.548 369 HG22 VAL 52 1HG2 VAL 52 0.752 -7.018 -10.999 370 HG23 VAL 52 2HG2 VAL 52 1.128 -5.575 -11.939 371 H GLU 53 H GLU 53 -2.723 -4.865 -12.561 372 HA GLU 53 HA GLU 53 -1.938 -2.080 -12.345 373 HB2 GLU 53 1HB GLU 53 -4.167 -1.724 -11.393 374 HB3 GLU 53 2HB GLU 53 -4.256 -2.608 -12.910 375 HG2 GLU 53 1HG GLU 53 -4.132 -4.613 -11.029 376 HG3 GLU 53 2HG GLU 53 -5.111 -3.380 -10.241 377 H VAL 54 H VAL 54 -2.367 -4.868 -10.207 378 HA VAL 54 HA VAL 54 -1.461 -3.233 -7.934 379 HB VAL 54 HB VAL 54 -2.256 -5.071 -6.494 380 HG11 VAL 54 1HG1 VAL 54 -3.729 -3.158 -7.230 381 HG12 VAL 54 2HG1 VAL 54 -4.567 -4.603 -6.662 382 HG13 VAL 54 3HG1 VAL 54 -4.452 -4.272 -8.390 383 HG21 VAL 54 3HG2 VAL 54 -1.949 -6.934 -8.038 384 HG22 VAL 54 1HG2 VAL 54 -3.241 -6.312 -9.066 385 HG23 VAL 54 2HG2 VAL 54 -3.606 -6.886 -7.439 386 H ASP 55 H ASP 55 0.037 -4.265 -6.393 387 HA ASP 55 HA ASP 55 1.732 -6.379 -7.475 388 HB2 ASP 55 1HB ASP 55 2.461 -3.613 -7.568 389 HB3 ASP 55 2HB ASP 55 3.499 -4.420 -6.397 390 H ARG 56 H ARG 56 3.065 -7.405 -5.887 391 HA ARG 56 HA ARG 56 1.993 -7.105 -3.179 392 HB2 ARG 56 1HB ARG 56 2.350 -9.350 -4.603 393 HB3 ARG 56 2HB ARG 56 3.927 -9.272 -3.831 394 HG2 ARG 56 1HG ARG 56 3.069 -9.601 -1.724 395 HG3 ARG 56 2HG ARG 56 1.478 -8.971 -2.157 396 HD2 ARG 56 1HD ARG 56 2.252 -11.362 -3.655 397 HD3 ARG 56 2HD ARG 56 2.139 -11.624 -1.916 398 HE ARG 56 HE ARG 56 -0.157 -10.323 -2.464 399 HH11 ARG 56 1HH1 ARG 56 1.348 -13.142 -3.903 400 HH12 ARG 56 2HH1 ARG 56 -0.158 -13.859 -4.366 401 HH21 ARG 56 1HH2 ARG 56 -2.138 -11.281 -3.075 402 HH22 ARG 56 2HH2 ARG 56 -2.134 -12.804 -3.897 403 H VAL 57 H VAL 57 3.104 -6.136 -1.620 404 HA VAL 57 HA VAL 57 6.035 -5.993 -1.806 405 HB VAL 57 HB VAL 57 5.900 -3.628 -0.925 406 HG11 VAL 57 1HG1 VAL 57 6.130 -2.812 -3.020 407 HG12 VAL 57 2HG1 VAL 57 4.623 -3.530 -3.585 408 HG13 VAL 57 3HG1 VAL 57 6.076 -4.520 -3.451 409 HG21 VAL 57 3HG2 VAL 57 3.013 -4.123 -1.481 410 HG22 VAL 57 1HG2 VAL 57 3.674 -2.509 -1.740 411 HG23 VAL 57 2HG2 VAL 57 3.772 -3.257 -0.146 412 H LYS 58 H LYS 58 7.020 -5.226 0.303 413 HA LYS 58 HA LYS 58 5.549 -6.442 2.550 414 HB2 LYS 58 1HB LYS 58 8.521 -5.936 2.467 415 HB3 LYS 58 2HB LYS 58 7.632 -7.004 3.542 416 HG2 LYS 58 1HG LYS 58 7.730 -7.470 0.580 417 HG3 LYS 58 2HG LYS 58 8.988 -8.064 1.666 418 HD2 LYS 58 1HD LYS 58 7.709 -9.760 2.352 419 HD3 LYS 58 2HD LYS 58 6.339 -8.692 2.657 420 HE2 LYS 58 1HE LYS 58 5.383 -9.125 0.652 421 HE3 LYS 58 2HE LYS 58 6.933 -9.243 -0.180 422 HZ1 LYS 58 3HZ LYS 58 6.282 -11.374 1.707 423 HZ2 LYS 58 1HZ LYS 58 7.080 -11.452 0.216 424 HZ3 LYS 58 2HZ LYS 58 5.394 -11.336 0.270 425 H VAL 59 H VAL 59 5.259 -5.332 4.461 426 HA VAL 59 HA VAL 59 5.937 -2.473 4.377 427 HB VAL 59 HB VAL 59 4.267 -2.302 6.297 428 HG11 VAL 59 1HG1 VAL 59 3.710 -1.474 4.132 429 HG12 VAL 59 2HG1 VAL 59 2.321 -2.376 4.737 430 HG13 VAL 59 3HG1 VAL 59 3.386 -3.101 3.531 431 HG21 VAL 59 3HG2 VAL 59 2.672 -4.033 6.618 432 HG22 VAL 59 1HG2 VAL 59 4.265 -4.775 6.754 433 HG23 VAL 59 2HG2 VAL 59 3.323 -4.975 5.277 434 H LEU 60 H LEU 60 7.180 -1.505 5.884 435 HA LEU 60 HA LEU 60 8.308 -3.235 7.990 436 HB2 LEU 60 1HB LEU 60 9.641 -1.929 5.976 437 HB3 LEU 60 2HB LEU 60 9.796 -0.798 7.306 438 HG LEU 60 HG LEU 60 11.727 -2.289 7.164 439 HD11 LEU 60 1HD1 LEU 60 11.601 -1.659 9.332 440 HD12 LEU 60 2HD1 LEU 60 11.308 -3.384 9.557 441 HD13 LEU 60 3HD1 LEU 60 9.954 -2.255 9.530 442 HD21 LEU 60 3HD2 LEU 60 11.341 -4.364 6.439 443 HD22 LEU 60 1HD2 LEU 60 9.650 -4.322 6.939 444 HD23 LEU 60 2HD2 LEU 60 10.906 -4.732 8.108 445 H ARG 61 H ARG 61 7.472 -2.781 9.915 446 HA ARG 61 HA ARG 61 7.309 0.016 10.768 447 HB2 ARG 61 1HB ARG 61 5.055 -1.118 9.919 448 HB3 ARG 61 2HB ARG 61 5.052 -1.774 11.549 449 HG2 ARG 61 1HG ARG 61 5.004 0.408 12.509 450 HG3 ARG 61 2HG ARG 61 5.279 1.164 10.939 451 HD2 ARG 61 1HD ARG 61 2.987 1.424 11.274 452 HD3 ARG 61 2HD ARG 61 3.092 0.007 10.229 453 HE ARG 61 HE ARG 61 2.305 0.070 13.035 454 HH11 ARG 61 1HH1 ARG 61 3.047 -1.873 10.209 455 HH12 ARG 61 2HH1 ARG 61 2.300 -3.300 10.844 456 HH21 ARG 61 1HH2 ARG 61 1.322 -1.818 13.860 457 HH22 ARG 61 2HH2 ARG 61 1.322 -3.269 12.915 458 H LEU 62 H LEU 62 9.197 -2.083 11.380 459 HA LEU 62 HA LEU 62 9.315 -1.836 14.198 460 HB2 LEU 62 1HB LEU 62 7.573 -3.581 14.077 461 HB3 LEU 62 2HB LEU 62 8.656 -4.594 13.142 462 HG LEU 62 HG LEU 62 10.215 -4.310 15.262 463 HD11 LEU 62 1HD1 LEU 62 7.525 -3.464 16.186 464 HD12 LEU 62 2HD1 LEU 62 9.124 -2.953 16.728 465 HD13 LEU 62 3HD1 LEU 62 8.472 -4.509 17.245 466 HD21 LEU 62 3HD2 LEU 62 7.853 -6.149 15.481 467 HD22 LEU 62 1HD2 LEU 62 9.525 -6.432 15.968 468 HD23 LEU 62 2HD2 LEU 62 9.102 -6.380 14.257 469 H ILE 63 H ILE 63 11.428 -1.212 13.969 470 HA ILE 63 HA ILE 63 13.279 -3.128 12.707 471 HB ILE 63 HB ILE 63 13.292 -0.909 11.656 472 HG12 ILE 63 1HG1 ILE 63 15.851 -1.313 13.217 473 HG13 ILE 63 2HG1 ILE 63 15.380 -2.319 11.850 474 HG21 ILE 63 1HG2 ILE 63 12.845 0.811 13.017 475 HG22 ILE 63 2HG2 ILE 63 14.579 0.810 13.333 476 HG23 ILE 63 3HG2 ILE 63 13.482 -0.017 14.438 477 HD11 ILE 63 3HD1 ILE 63 15.366 0.582 11.361 478 HD12 ILE 63 1HD1 ILE 63 15.927 -0.745 10.344 479 HD13 ILE 63 2HD1 ILE 63 16.945 -0.149 11.654 480 H LYS 64 H LYS 64 15.197 -3.714 13.760 481 HA LYS 64 HA LYS 64 15.058 -3.556 16.664 482 HB2 LYS 64 1HB LYS 64 15.579 -5.658 15.151 483 HB3 LYS 64 2HB LYS 64 17.219 -5.028 15.208 484 HG2 LYS 64 1HG LYS 64 17.065 -6.613 16.939 485 HG3 LYS 64 2HG LYS 64 17.012 -5.031 17.719 486 HD2 LYS 64 1HD LYS 64 15.328 -6.248 18.789 487 HD3 LYS 64 2HD LYS 64 14.458 -5.274 17.604 488 HE2 LYS 64 1HE LYS 64 14.703 -7.330 16.067 489 HE3 LYS 64 2HE LYS 64 15.084 -8.209 17.546 490 HZ1 LYS 64 3HZ LYS 64 12.855 -8.492 17.532 491 HZ2 LYS 64 1HZ LYS 64 12.547 -7.076 16.660 492 HZ3 LYS 64 2HZ LYS 64 12.874 -6.993 18.318 493 H GLY 65 H GLY 65 17.530 -2.998 14.142 494 HA2 GLY 65 1HA GLY 65 18.463 -0.560 14.855 495 HA3 GLY 65 2HA GLY 65 19.257 -1.623 16.007 496 H GLY 66 H GLY 66 19.766 -0.047 13.217 497 HA2 GLY 66 1HA GLY 66 21.013 -2.063 11.619 498 HA3 GLY 66 2HA GLY 66 21.154 -0.326 11.398 Start of MODEL 14 1 H1 MET 1 1H MET 1 -9.292 -1.268 -5.387 2 H2 MET 1 2H MET 1 -8.560 -2.194 -4.142 3 H3 MET 1 3H MET 1 -7.728 -1.926 -5.619 4 HA MET 1 HA MET 1 -7.441 0.320 -5.185 5 HB2 MET 1 1HB MET 1 -9.357 -0.204 -2.908 6 HB3 MET 1 2HB MET 1 -8.372 1.249 -2.995 7 HG2 MET 1 1HG MET 1 -9.669 2.187 -4.558 8 HG3 MET 1 2HG MET 1 -9.891 0.675 -5.432 9 HE1 MET 1 3HE MET 1 -10.364 2.159 -2.094 10 HE2 MET 1 1HE MET 1 -11.483 0.985 -1.402 11 HE3 MET 1 2HE MET 1 -12.089 2.519 -2.023 12 H ASN 2 H ASN 2 -7.791 -1.589 -2.175 13 HA ASN 2 HA ASN 2 -5.042 -0.976 -1.467 14 HB2 ASN 2 1HB ASN 2 -7.099 -2.571 0.079 15 HB3 ASN 2 2HB ASN 2 -5.562 -1.971 0.693 16 HD21 ASN 2 2HD2 ASN 2 -5.431 0.568 -0.054 17 HD22 ASN 2 1HD2 ASN 2 -6.756 1.481 0.568 18 H VAL 3 H VAL 3 -3.425 -2.480 -1.193 19 HA VAL 3 HA VAL 3 -3.916 -5.126 -2.395 20 HB VAL 3 HB VAL 3 -1.255 -3.705 -2.207 21 HG11 VAL 3 1HG1 VAL 3 -1.321 -5.529 -4.338 22 HG12 VAL 3 2HG1 VAL 3 -2.057 -6.357 -2.966 23 HG13 VAL 3 3HG1 VAL 3 -0.437 -5.677 -2.820 24 HG21 VAL 3 3HG2 VAL 3 -3.228 -3.782 -4.490 25 HG22 VAL 3 1HG2 VAL 3 -1.547 -3.269 -4.647 26 HG23 VAL 3 2HG2 VAL 3 -2.653 -2.360 -3.619 27 H THR 4 H THR 4 -3.254 -6.959 -1.317 28 HA THR 4 HA THR 4 -2.853 -6.718 1.510 29 HB THR 4 HB THR 4 -2.488 -9.272 -0.039 30 HG1 THR 4 HG1 THR 4 -4.945 -8.000 0.586 31 HG21 THR 4 3HG2 THR 4 -2.312 -8.965 2.569 32 HG22 THR 4 1HG2 THR 4 -3.068 -10.387 1.849 33 HG23 THR 4 2HG2 THR 4 -4.068 -9.067 2.458 34 H VAL 5 H VAL 5 -0.973 -6.202 2.375 35 HA VAL 5 HA VAL 5 1.500 -7.154 1.090 36 HB VAL 5 HB VAL 5 2.638 -5.258 2.232 37 HG11 VAL 5 1HG1 VAL 5 0.397 -4.200 0.541 38 HG12 VAL 5 2HG1 VAL 5 1.670 -5.216 -0.135 39 HG13 VAL 5 3HG1 VAL 5 2.079 -3.670 0.609 40 HG21 VAL 5 3HG2 VAL 5 -0.161 -4.325 2.866 41 HG22 VAL 5 1HG2 VAL 5 1.332 -3.438 3.169 42 HG23 VAL 5 2HG2 VAL 5 1.002 -4.932 4.044 43 H GLU 6 H GLU 6 2.944 -8.314 2.237 44 HA GLU 6 HA GLU 6 2.122 -9.312 4.821 45 HB2 GLU 6 1HB GLU 6 3.238 -10.640 2.893 46 HB3 GLU 6 2HB GLU 6 4.742 -9.954 3.491 47 HG2 GLU 6 1HG GLU 6 4.300 -10.949 5.695 48 HG3 GLU 6 2HG GLU 6 2.821 -11.665 5.058 49 H VAL 7 H VAL 7 2.559 -8.259 6.621 50 HA VAL 7 HA VAL 7 4.766 -6.362 6.739 51 HB VAL 7 HB VAL 7 2.858 -7.010 8.985 52 HG11 VAL 7 1HG1 VAL 7 3.542 -5.056 9.967 53 HG12 VAL 7 2HG1 VAL 7 3.997 -4.312 8.435 54 HG13 VAL 7 3HG1 VAL 7 5.032 -5.543 9.159 55 HG21 VAL 7 3HG2 VAL 7 2.195 -5.869 6.444 56 HG22 VAL 7 1HG2 VAL 7 2.012 -4.648 7.704 57 HG23 VAL 7 2HG2 VAL 7 1.152 -6.181 7.829 58 H VAL 8 H VAL 8 6.640 -6.683 7.846 59 HA VAL 8 HA VAL 8 7.212 -9.342 8.789 60 HB VAL 8 HB VAL 8 8.982 -6.898 9.010 61 HG11 VAL 8 1HG1 VAL 8 9.893 -9.744 8.763 62 HG12 VAL 8 2HG1 VAL 8 9.463 -9.062 10.332 63 HG13 VAL 8 3HG1 VAL 8 10.766 -8.343 9.385 64 HG21 VAL 8 3HG2 VAL 8 8.436 -8.741 6.718 65 HG22 VAL 8 1HG2 VAL 8 10.041 -8.035 6.913 66 HG23 VAL 8 2HG2 VAL 8 8.633 -6.989 6.726 67 H GLY 9 H GLY 9 6.825 -10.060 10.773 68 HA2 GLY 9 1HA GLY 9 7.015 -10.014 13.130 69 HA3 GLY 9 2HA GLY 9 7.121 -8.256 13.065 70 H GLU 10 H GLU 10 4.883 -7.640 11.568 71 HA GLU 10 HA GLU 10 2.738 -8.311 13.446 72 HB2 GLU 10 1HB GLU 10 3.528 -5.893 12.694 73 HB3 GLU 10 2HB GLU 10 2.440 -6.207 11.350 74 HG2 GLU 10 1HG GLU 10 1.035 -6.910 13.682 75 HG3 GLU 10 2HG GLU 10 1.835 -5.374 14.016 76 H GLU 11 H GLU 11 0.509 -8.517 12.516 77 HA GLU 11 HA GLU 11 0.326 -10.645 10.721 78 HB2 GLU 11 1HB GLU 11 -1.825 -8.617 11.356 79 HB3 GLU 11 2HB GLU 11 -2.080 -10.230 10.708 80 HG2 GLU 11 1HG GLU 11 -1.961 -11.185 12.721 81 HG3 GLU 11 2HG GLU 11 -0.578 -10.212 13.210 82 H THR 12 H THR 12 -1.447 -10.291 8.762 83 HA THR 12 HA THR 12 -0.047 -8.496 6.913 84 HB THR 12 HB THR 12 -2.052 -10.648 6.218 85 HG1 THR 12 HG1 THR 12 -0.396 -12.045 6.051 86 HG21 THR 12 3HG2 THR 12 0.133 -9.455 4.534 87 HG22 THR 12 1HG2 THR 12 -1.560 -8.972 4.455 88 HG23 THR 12 2HG2 THR 12 -1.093 -10.620 4.034 89 H SER 13 H SER 13 -0.976 -6.764 6.014 90 HA SER 13 HA SER 13 -3.881 -6.398 6.268 91 HB2 SER 13 1HB SER 13 -3.688 -4.243 7.192 92 HB3 SER 13 2HB SER 13 -2.505 -5.195 8.084 93 HG SER 13 HG SER 13 -0.889 -4.333 6.726 94 H GLU 14 H GLU 14 -4.728 -4.636 4.875 95 HA GLU 14 HA GLU 14 -3.378 -4.707 2.283 96 HB2 GLU 14 1HB GLU 14 -6.157 -3.724 2.958 97 HB3 GLU 14 2HB GLU 14 -5.502 -3.973 1.345 98 HG2 GLU 14 1HG GLU 14 -5.636 -6.264 1.494 99 HG3 GLU 14 2HG GLU 14 -5.599 -6.261 3.256 100 H VAL 15 H VAL 15 -2.642 -2.941 1.210 101 HA VAL 15 HA VAL 15 -3.000 -0.302 2.468 102 HB VAL 15 HB VAL 15 -0.785 -1.166 3.097 103 HG11 VAL 15 1HG1 VAL 15 0.849 -1.855 1.618 104 HG12 VAL 15 2HG1 VAL 15 0.096 -1.050 0.242 105 HG13 VAL 15 3HG1 VAL 15 -0.615 -2.524 0.898 106 HG21 VAL 15 3HG2 VAL 15 -0.972 1.209 2.890 107 HG22 VAL 15 1HG2 VAL 15 -0.759 1.126 1.141 108 HG23 VAL 15 2HG2 VAL 15 0.581 0.723 2.213 109 H ALA 16 H ALA 16 -2.992 1.478 1.063 110 HA ALA 16 HA ALA 16 -3.767 0.861 -1.658 111 HB1 ALA 16 3HB ALA 16 -5.154 2.519 -0.998 112 HB2 ALA 16 1HB ALA 16 -3.849 3.547 -1.585 113 HB3 ALA 16 2HB ALA 16 -3.987 3.195 0.138 114 H VAL 17 H VAL 17 -2.510 1.006 -3.397 115 HA VAL 17 HA VAL 17 0.084 2.390 -3.142 116 HB VAL 17 HB VAL 17 0.931 0.817 -4.889 117 HG11 VAL 17 1HG1 VAL 17 1.273 0.534 -2.418 118 HG12 VAL 17 2HG1 VAL 17 1.414 -0.943 -3.371 119 HG13 VAL 17 3HG1 VAL 17 -0.052 -0.629 -2.439 120 HG21 VAL 17 3HG2 VAL 17 -0.308 -0.823 -5.822 121 HG22 VAL 17 1HG2 VAL 17 -1.665 0.198 -5.351 122 HG23 VAL 17 2HG2 VAL 17 -1.184 -1.154 -4.328 123 H ASP 18 H ASP 18 1.004 3.228 -5.140 124 HA ASP 18 HA ASP 18 -0.915 4.748 -6.636 125 HB2 ASP 18 1HB ASP 18 1.249 5.702 -5.951 126 HB3 ASP 18 2HB ASP 18 2.088 4.514 -6.938 127 H ASP 19 H ASP 19 1.109 1.926 -7.235 128 HA ASP 19 HA ASP 19 1.007 1.756 -9.991 129 HB2 ASP 19 1HB ASP 19 1.173 -0.319 -7.831 130 HB3 ASP 19 2HB ASP 19 0.995 -0.824 -9.508 131 H ASP 20 H ASP 20 -1.498 0.888 -7.657 132 HA ASP 20 HA ASP 20 -3.195 -0.573 -9.323 133 HB2 ASP 20 1HB ASP 20 -3.350 -0.105 -6.773 134 HB3 ASP 20 2HB ASP 20 -4.259 1.325 -7.239 135 H GLY 21 H GLY 21 -3.211 2.942 -8.656 136 HA2 GLY 21 1HA GLY 21 -3.740 4.668 -10.122 137 HA3 GLY 21 2HA GLY 21 -4.164 3.467 -11.339 138 H THR 22 H THR 22 -5.556 3.304 -8.136 139 HA THR 22 HA THR 22 -8.192 3.704 -9.290 140 HB THR 22 HB THR 22 -8.822 3.191 -6.777 141 HG1 THR 22 HG1 THR 22 -6.854 3.196 -5.826 142 HG21 THR 22 3HG2 THR 22 -8.924 1.684 -8.935 143 HG22 THR 22 1HG2 THR 22 -9.191 1.020 -7.323 144 HG23 THR 22 2HG2 THR 22 -7.624 0.831 -8.106 145 H TYR 23 H TYR 23 -9.813 5.023 -8.141 146 HA TYR 23 HA TYR 23 -9.041 7.697 -7.938 147 HB2 TYR 23 1HB TYR 23 -11.281 8.144 -7.122 148 HB3 TYR 23 2HB TYR 23 -11.357 6.939 -8.401 149 HD1 TYR 23 HD2 TYR 23 -11.824 4.558 -7.828 150 HD2 TYR 23 HD1 TYR 23 -11.980 7.635 -4.891 151 HE1 TYR 23 HE2 TYR 23 -13.089 3.067 -6.341 152 HE2 TYR 23 HE1 TYR 23 -13.247 6.150 -3.397 153 HH TYR 23 HH TYR 23 -13.388 2.981 -3.631 154 H ALA 24 H ALA 24 -9.358 5.217 -5.456 155 HA ALA 24 HA ALA 24 -9.242 6.818 -3.164 156 HB1 ALA 24 3HB ALA 24 -9.515 4.178 -3.576 157 HB2 ALA 24 1HB ALA 24 -9.105 4.879 -2.011 158 HB3 ALA 24 2HB ALA 24 -7.833 4.225 -3.043 159 H ASP 25 H ASP 25 -6.681 5.617 -5.267 160 HA ASP 25 HA ASP 25 -4.473 6.204 -3.650 161 HB2 ASP 25 1HB ASP 25 -4.271 4.855 -5.669 162 HB3 ASP 25 2HB ASP 25 -4.687 6.248 -6.669 163 H LEU 26 H LEU 26 -6.351 8.278 -5.823 164 HA LEU 26 HA LEU 26 -4.665 10.496 -5.932 165 HB2 LEU 26 1HB LEU 26 -7.200 9.891 -6.844 166 HB3 LEU 26 2HB LEU 26 -7.510 11.172 -5.691 167 HG LEU 26 HG LEU 26 -7.279 12.038 -7.966 168 HD11 LEU 26 1HD1 LEU 26 -5.333 13.645 -7.480 169 HD12 LEU 26 2HD1 LEU 26 -5.226 12.813 -5.929 170 HD13 LEU 26 3HD1 LEU 26 -6.715 13.641 -6.383 171 HD21 LEU 26 3HD2 LEU 26 -5.249 11.904 -9.208 172 HD22 LEU 26 1HD2 LEU 26 -5.699 10.265 -8.739 173 HD23 LEU 26 2HD2 LEU 26 -4.415 11.109 -7.873 174 H VAL 27 H VAL 27 -7.027 9.539 -3.485 175 HA VAL 27 HA VAL 27 -6.789 11.902 -1.903 176 HB VAL 27 HB VAL 27 -7.721 9.175 -0.985 177 HG11 VAL 27 1HG1 VAL 27 -8.630 11.825 0.077 178 HG12 VAL 27 2HG1 VAL 27 -7.171 11.050 0.690 179 HG13 VAL 27 3HG1 VAL 27 -8.728 10.234 0.828 180 HG21 VAL 27 3HG2 VAL 27 -8.873 10.250 -3.057 181 HG22 VAL 27 1HG2 VAL 27 -9.582 11.345 -1.869 182 HG23 VAL 27 2HG2 VAL 27 -9.862 9.608 -1.747 183 H ARG 28 H ARG 28 -5.431 8.621 -1.634 184 HA ARG 28 HA ARG 28 -3.951 9.054 0.720 185 HB2 ARG 28 1HB ARG 28 -3.897 7.036 -1.473 186 HB3 ARG 28 2HB ARG 28 -2.494 7.126 -0.417 187 HG2 ARG 28 1HG ARG 28 -4.017 5.447 0.392 188 HG3 ARG 28 2HG ARG 28 -3.967 6.794 1.531 189 HD2 ARG 28 1HD ARG 28 -6.116 7.378 1.140 190 HD3 ARG 28 2HD ARG 28 -6.027 6.964 -0.570 191 HE ARG 28 HE ARG 28 -5.968 4.622 1.016 192 HH11 ARG 28 1HH1 ARG 28 -8.157 7.108 -0.120 193 HH12 ARG 28 2HH1 ARG 28 -9.554 6.090 -0.036 194 HH21 ARG 28 1HH2 ARG 28 -7.817 3.286 1.126 195 HH22 ARG 28 2HH2 ARG 28 -9.361 3.919 0.671 196 H ALA 29 H ALA 29 -3.197 9.644 -2.670 197 HA ALA 29 HA ALA 29 -0.453 10.061 -2.539 198 HB1 ALA 29 3HB ALA 29 -1.150 10.074 -4.701 199 HB2 ALA 29 1HB ALA 29 -1.075 11.817 -4.438 200 HB3 ALA 29 2HB ALA 29 -2.622 10.978 -4.338 201 H VAL 30 H VAL 30 -3.028 12.082 -1.349 202 HA VAL 30 HA VAL 30 -1.311 14.413 -1.072 203 HB VAL 30 HB VAL 30 -4.110 14.115 0.016 204 HG11 VAL 30 1HG1 VAL 30 -3.927 16.251 0.596 205 HG12 VAL 30 2HG1 VAL 30 -3.407 16.701 -1.028 206 HG13 VAL 30 3HG1 VAL 30 -2.219 16.174 0.165 207 HG21 VAL 30 3HG2 VAL 30 -4.539 15.458 -2.257 208 HG22 VAL 30 1HG2 VAL 30 -4.666 13.702 -2.145 209 HG23 VAL 30 2HG2 VAL 30 -3.197 14.442 -2.782 210 H ASP 31 H ASP 31 -0.836 11.816 0.430 211 HA ASP 31 HA ASP 31 -0.055 11.162 2.449 212 HB2 ASP 31 1HB ASP 31 -0.203 14.060 3.303 213 HB3 ASP 31 2HB ASP 31 0.821 12.798 3.973 214 H LEU 32 H LEU 32 -2.701 10.754 2.085 215 HA LEU 32 HA LEU 32 -3.851 11.346 4.735 216 HB2 LEU 32 1HB LEU 32 -5.051 11.492 2.019 217 HB3 LEU 32 2HB LEU 32 -6.069 10.888 3.310 218 HG LEU 32 HG LEU 32 -5.425 13.029 4.580 219 HD11 LEU 32 1HD1 LEU 32 -5.097 14.855 2.660 220 HD12 LEU 32 2HD1 LEU 32 -4.222 13.515 1.922 221 HD13 LEU 32 3HD1 LEU 32 -3.746 14.110 3.513 222 HD21 LEU 32 3HD2 LEU 32 -7.130 14.347 3.240 223 HD22 LEU 32 1HD2 LEU 32 -7.646 12.770 3.840 224 HD23 LEU 32 2HD2 LEU 32 -7.189 12.964 2.147 225 H SER 33 H SER 33 -2.212 9.073 4.068 226 HA SER 33 HA SER 33 -4.103 6.850 3.900 227 HB2 SER 33 1HB SER 33 -1.887 5.499 3.970 228 HB3 SER 33 2HB SER 33 -2.262 6.420 2.516 229 HG SER 33 HG SER 33 -0.523 7.201 4.622 230 HA PRO 34 HA PRO 34 -4.168 6.667 8.378 231 HB2 PRO 34 1HB PRO 34 -5.496 4.073 7.909 232 HB3 PRO 34 2HB PRO 34 -6.082 5.493 8.779 233 HG2 PRO 34 1HG PRO 34 -7.079 4.807 6.390 234 HG3 PRO 34 2HG PRO 34 -6.877 6.505 6.860 235 HD2 PRO 34 1HD PRO 34 -5.173 4.815 5.066 236 HD3 PRO 34 2HD PRO 34 -5.671 6.511 4.881 237 H HIS 35 H HIS 35 -3.170 3.975 6.303 238 HA HIS 35 HA HIS 35 -1.843 2.577 8.443 239 HB2 HIS 35 1HB HIS 35 -2.584 2.007 5.723 240 HB3 HIS 35 2HB HIS 35 -0.878 1.639 5.954 241 HD1 HIS 35 HD1 HIS 35 -1.153 0.630 8.935 242 HD2 HIS 35 HD2 HIS 35 -3.499 -0.584 5.728 243 HE1 HIS 35 HE1 HIS 35 -2.055 -1.627 9.578 244 HE2 HIS 35 HE2 HIS 35 -3.538 -2.303 7.657 245 H GLU 36 H GLU 36 -0.836 4.576 5.686 246 HA GLU 36 HA GLU 36 1.164 5.482 5.087 247 HB2 GLU 36 1HB GLU 36 0.507 6.808 7.111 248 HB3 GLU 36 2HB GLU 36 1.538 5.759 8.074 249 HG2 GLU 36 1HG GLU 36 2.858 7.623 7.678 250 HG3 GLU 36 2HG GLU 36 3.415 6.460 6.478 251 H VAL 37 H VAL 37 1.689 3.155 4.480 252 HA VAL 37 HA VAL 37 4.136 2.331 5.913 253 HB VAL 37 HB VAL 37 3.623 -0.015 5.183 254 HG11 VAL 37 1HG1 VAL 37 2.633 -0.441 7.165 255 HG12 VAL 37 2HG1 VAL 37 1.329 0.713 6.886 256 HG13 VAL 37 3HG1 VAL 37 2.905 1.282 7.434 257 HG21 VAL 37 3HG2 VAL 37 2.072 0.322 3.415 258 HG22 VAL 37 1HG2 VAL 37 0.981 1.234 4.458 259 HG23 VAL 37 2HG2 VAL 37 1.203 -0.497 4.712 260 H THR 38 H THR 38 5.869 1.624 4.686 261 HA THR 38 HA THR 38 5.851 2.508 1.907 262 HB THR 38 HB THR 38 8.181 1.524 3.571 263 HG1 THR 38 HG1 THR 38 8.179 3.402 4.471 264 HG21 THR 38 3HG2 THR 38 8.209 1.837 0.910 265 HG22 THR 38 1HG2 THR 38 9.598 2.160 1.948 266 HG23 THR 38 2HG2 THR 38 8.570 3.489 1.414 267 H VAL 39 H VAL 39 6.048 1.200 0.167 268 HA VAL 39 HA VAL 39 5.753 -1.658 0.609 269 HB VAL 39 HB VAL 39 5.260 -1.828 -1.768 270 HG11 VAL 39 1HG1 VAL 39 3.567 -0.992 -0.022 271 HG12 VAL 39 2HG1 VAL 39 3.166 -0.814 -1.730 272 HG13 VAL 39 3HG1 VAL 39 3.746 0.575 -0.812 273 HG21 VAL 39 3HG2 VAL 39 6.312 0.953 -1.829 274 HG22 VAL 39 1HG2 VAL 39 5.004 0.534 -2.936 275 HG23 VAL 39 2HG2 VAL 39 6.523 -0.363 -2.983 276 H LEU 40 H LEU 40 7.292 -3.150 0.315 277 HA LEU 40 HA LEU 40 9.850 -2.280 -0.860 278 HB2 LEU 40 1HB LEU 40 9.168 -3.987 1.467 279 HB3 LEU 40 2HB LEU 40 10.539 -4.498 0.497 280 HG LEU 40 HG LEU 40 10.477 -1.651 1.346 281 HD11 LEU 40 1HD1 LEU 40 11.719 -2.599 3.477 282 HD12 LEU 40 2HD1 LEU 40 10.619 -3.954 3.215 283 HD13 LEU 40 3HD1 LEU 40 9.976 -2.329 3.460 284 HD21 LEU 40 3HD2 LEU 40 12.951 -2.452 1.804 285 HD22 LEU 40 1HD2 LEU 40 12.392 -2.082 0.174 286 HD23 LEU 40 2HD2 LEU 40 12.482 -3.758 0.716 287 H VAL 41 H VAL 41 10.967 -3.686 -2.232 288 HA VAL 41 HA VAL 41 9.347 -5.855 -3.391 289 HB VAL 41 HB VAL 41 11.486 -4.345 -4.891 290 HG11 VAL 41 1HG1 VAL 41 10.623 -5.337 -6.813 291 HG12 VAL 41 2HG1 VAL 41 9.089 -5.731 -6.039 292 HG13 VAL 41 3HG1 VAL 41 10.546 -6.629 -5.617 293 HG21 VAL 41 3HG2 VAL 41 9.720 -2.771 -4.086 294 HG22 VAL 41 1HG2 VAL 41 8.535 -3.726 -4.978 295 HG23 VAL 41 2HG2 VAL 41 9.829 -2.897 -5.841 296 H ASP 42 H ASP 42 10.174 -7.804 -3.014 297 HA ASP 42 HA ASP 42 12.513 -8.352 -1.679 298 HB2 ASP 42 1HB ASP 42 10.721 -9.985 -1.899 299 HB3 ASP 42 2HB ASP 42 10.999 -10.095 -3.629 300 H GLY 43 H GLY 43 14.527 -8.143 -2.198 301 HA2 GLY 43 1HA GLY 43 16.245 -7.368 -3.604 302 HA3 GLY 43 2HA GLY 43 16.205 -9.095 -3.881 303 H ARG 44 H ARG 44 14.298 -6.296 -5.052 304 HA ARG 44 HA ARG 44 14.985 -7.113 -7.797 305 HB2 ARG 44 1HB ARG 44 12.292 -6.694 -6.589 306 HB3 ARG 44 2HB ARG 44 12.536 -6.207 -8.261 307 HG2 ARG 44 1HG ARG 44 13.571 -8.638 -8.430 308 HG3 ARG 44 2HG ARG 44 12.503 -8.913 -7.054 309 HD2 ARG 44 1HD ARG 44 10.658 -7.885 -8.451 310 HD3 ARG 44 2HD ARG 44 11.764 -7.994 -9.821 311 HE ARG 44 HE ARG 44 10.282 -10.125 -8.633 312 HH11 ARG 44 1HH1 ARG 44 13.255 -9.391 -10.335 313 HH12 ARG 44 2HH1 ARG 44 13.435 -10.992 -10.966 314 HH21 ARG 44 1HH2 ARG 44 10.525 -12.237 -9.473 315 HH22 ARG 44 2HH2 ARG 44 11.885 -12.607 -10.479 316 HA PRO 45 HA PRO 45 15.976 -2.744 -7.887 317 HB2 PRO 45 1HB PRO 45 17.247 -2.757 -10.267 318 HB3 PRO 45 2HB PRO 45 17.987 -3.400 -8.798 319 HG2 PRO 45 1HG PRO 45 16.717 -4.847 -11.073 320 HG3 PRO 45 2HG PRO 45 18.147 -5.283 -10.122 321 HD2 PRO 45 1HD PRO 45 15.626 -6.353 -9.757 322 HD3 PRO 45 2HD PRO 45 16.903 -6.330 -8.526 323 H VAL 46 H VAL 46 14.715 -4.377 -10.813 324 HA VAL 46 HA VAL 46 12.681 -2.327 -11.109 325 HB VAL 46 HB VAL 46 13.217 -2.042 -13.561 326 HG11 VAL 46 1HG1 VAL 46 15.373 -1.002 -11.735 327 HG12 VAL 46 2HG1 VAL 46 13.730 -0.364 -11.772 328 HG13 VAL 46 3HG1 VAL 46 14.749 -0.256 -13.207 329 HG21 VAL 46 3HG2 VAL 46 15.606 -3.608 -12.712 330 HG22 VAL 46 1HG2 VAL 46 15.807 -2.348 -13.930 331 HG23 VAL 46 2HG2 VAL 46 14.685 -3.676 -14.213 332 HA PRO 47 HA PRO 47 11.012 -6.518 -11.989 333 HB2 PRO 47 1HB PRO 47 8.484 -5.108 -11.374 334 HB3 PRO 47 2HB PRO 47 9.132 -6.603 -10.695 335 HG2 PRO 47 1HG PRO 47 9.097 -4.343 -9.271 336 HG3 PRO 47 2HG PRO 47 10.451 -5.483 -9.153 337 HD2 PRO 47 1HD PRO 47 10.273 -2.904 -10.671 338 HD3 PRO 47 2HD PRO 47 11.613 -3.545 -9.695 339 H GLU 48 H GLU 48 11.659 -5.931 -14.229 340 HA GLU 48 HA GLU 48 9.957 -4.455 -15.942 341 HB2 GLU 48 1HB GLU 48 12.363 -4.977 -16.390 342 HB3 GLU 48 2HB GLU 48 11.899 -6.644 -16.709 343 HG2 GLU 48 1HG GLU 48 11.744 -6.010 -18.834 344 HG3 GLU 48 2HG GLU 48 10.217 -5.269 -18.360 345 H ASP 49 H ASP 49 9.964 -7.795 -14.889 346 HA ASP 49 HA ASP 49 8.006 -8.613 -16.872 347 HB2 ASP 49 1HB ASP 49 9.852 -9.933 -15.069 348 HB3 ASP 49 2HB ASP 49 8.244 -10.640 -14.949 349 H GLN 50 H GLN 50 7.453 -6.578 -14.626 350 HA GLN 50 HA GLN 50 5.649 -7.689 -12.785 351 HB2 GLN 50 1HB GLN 50 6.661 -5.454 -12.542 352 HB3 GLN 50 2HB GLN 50 5.726 -4.882 -13.914 353 HG2 GLN 50 1HG GLN 50 3.911 -6.018 -12.064 354 HG3 GLN 50 2HG GLN 50 5.006 -4.968 -11.168 355 HE21 GLN 50 2HE2 GLN 50 2.556 -5.128 -13.627 356 HE22 GLN 50 1HE2 GLN 50 2.264 -3.428 -13.730 357 H SER 51 H SER 51 3.510 -8.142 -12.853 358 HA SER 51 HA SER 51 2.025 -7.496 -15.312 359 HB2 SER 51 1HB SER 51 2.809 -9.900 -15.248 360 HB3 SER 51 2HB SER 51 1.782 -10.125 -13.831 361 HG SER 51 HG SER 51 0.060 -10.087 -15.061 362 H VAL 52 H VAL 52 -0.314 -7.511 -15.063 363 HA VAL 52 HA VAL 52 -2.295 -7.050 -14.035 364 HB VAL 52 HB VAL 52 -1.006 -7.658 -11.369 365 HG11 VAL 52 1HG1 VAL 52 -3.622 -8.516 -11.324 366 HG12 VAL 52 2HG1 VAL 52 -3.706 -7.027 -12.264 367 HG13 VAL 52 3HG1 VAL 52 -3.014 -7.009 -10.642 368 HG21 VAL 52 3HG2 VAL 52 -0.586 -9.650 -12.443 369 HG22 VAL 52 1HG2 VAL 52 -1.983 -9.499 -13.508 370 HG23 VAL 52 2HG2 VAL 52 -2.209 -9.944 -11.816 371 H GLU 53 H GLU 53 -3.311 -5.235 -13.146 372 HA GLU 53 HA GLU 53 -1.867 -2.847 -13.123 373 HB2 GLU 53 1HB GLU 53 -3.941 -1.879 -12.003 374 HB3 GLU 53 2HB GLU 53 -4.181 -2.669 -13.554 375 HG2 GLU 53 1HG GLU 53 -5.521 -4.233 -12.689 376 HG3 GLU 53 2HG GLU 53 -4.512 -4.451 -11.261 377 H VAL 54 H VAL 54 -2.709 -5.018 -10.492 378 HA VAL 54 HA VAL 54 -1.353 -3.240 -8.580 379 HB VAL 54 HB VAL 54 -2.418 -4.550 -6.801 380 HG11 VAL 54 1HG1 VAL 54 -4.903 -4.054 -7.686 381 HG12 VAL 54 2HG1 VAL 54 -3.976 -3.117 -8.856 382 HG13 VAL 54 3HG1 VAL 54 -3.799 -2.795 -7.132 383 HG21 VAL 54 3HG2 VAL 54 -3.539 -6.482 -7.099 384 HG22 VAL 54 1HG2 VAL 54 -2.626 -6.558 -8.605 385 HG23 VAL 54 2HG2 VAL 54 -4.280 -5.943 -8.606 386 H ASP 55 H ASP 55 -0.086 -4.402 -6.847 387 HA ASP 55 HA ASP 55 1.103 -6.931 -7.686 388 HB2 ASP 55 1HB ASP 55 2.526 -4.308 -7.624 389 HB3 ASP 55 2HB ASP 55 3.401 -5.736 -7.079 390 H ARG 56 H ARG 56 2.308 -7.988 -5.998 391 HA ARG 56 HA ARG 56 1.353 -7.218 -3.340 392 HB2 ARG 56 1HB ARG 56 0.986 -9.541 -4.078 393 HB3 ARG 56 2HB ARG 56 2.722 -9.760 -4.254 394 HG2 ARG 56 1HG ARG 56 3.081 -9.640 -1.929 395 HG3 ARG 56 2HG ARG 56 1.462 -9.000 -1.635 396 HD2 ARG 56 1HD ARG 56 1.286 -11.519 -3.007 397 HD3 ARG 56 2HD ARG 56 2.302 -11.688 -1.575 398 HE ARG 56 HE ARG 56 -0.166 -10.296 -1.076 399 HH11 ARG 56 1HH1 ARG 56 1.330 -13.459 -1.287 400 HH12 ARG 56 2HH1 ARG 56 0.159 -14.216 -0.260 401 HH21 ARG 56 1HH2 ARG 56 -1.709 -11.307 0.269 402 HH22 ARG 56 2HH2 ARG 56 -1.564 -12.997 0.621 403 H VAL 57 H VAL 57 2.617 -6.279 -1.904 404 HA VAL 57 HA VAL 57 5.537 -6.572 -2.092 405 HB VAL 57 HB VAL 57 5.714 -4.136 -1.404 406 HG11 VAL 57 1HG1 VAL 57 5.810 -5.272 -3.834 407 HG12 VAL 57 2HG1 VAL 57 6.085 -3.554 -3.555 408 HG13 VAL 57 3HG1 VAL 57 4.505 -4.117 -4.097 409 HG21 VAL 57 3HG2 VAL 57 3.663 -2.818 -2.373 410 HG22 VAL 57 1HG2 VAL 57 3.638 -3.425 -0.718 411 HG23 VAL 57 2HG2 VAL 57 2.793 -4.302 -1.993 412 H LYS 58 H LYS 58 6.624 -5.746 -0.041 413 HA LYS 58 HA LYS 58 4.973 -6.512 2.279 414 HB2 LYS 58 1HB LYS 58 7.308 -6.870 3.358 415 HB3 LYS 58 2HB LYS 58 6.691 -8.076 2.239 416 HG2 LYS 58 1HG LYS 58 8.037 -7.055 0.442 417 HG3 LYS 58 2HG LYS 58 8.705 -5.925 1.624 418 HD2 LYS 58 1HD LYS 58 10.318 -7.598 1.527 419 HD3 LYS 58 2HD LYS 58 9.362 -8.051 2.940 420 HE2 LYS 58 1HE LYS 58 9.715 -10.033 1.682 421 HE3 LYS 58 2HE LYS 58 8.034 -9.561 1.433 422 HZ1 LYS 58 3HZ LYS 58 9.288 -10.258 -0.606 423 HZ2 LYS 58 1HZ LYS 58 10.200 -8.841 -0.459 424 HZ3 LYS 58 2HZ LYS 58 8.529 -8.751 -0.711 425 H VAL 59 H VAL 59 4.873 -5.208 4.065 426 HA VAL 59 HA VAL 59 6.058 -2.536 3.750 427 HB VAL 59 HB VAL 59 4.337 -1.827 5.460 428 HG11 VAL 59 1HG1 VAL 59 3.955 -1.198 3.228 429 HG12 VAL 59 2HG1 VAL 59 2.444 -1.929 3.769 430 HG13 VAL 59 3HG1 VAL 59 3.549 -2.844 2.746 431 HG21 VAL 59 3HG2 VAL 59 2.551 -3.191 6.056 432 HG22 VAL 59 1HG2 VAL 59 3.930 -4.285 6.143 433 HG23 VAL 59 2HG2 VAL 59 2.854 -4.331 4.747 434 H LEU 60 H LEU 60 7.232 -1.581 5.352 435 HA LEU 60 HA LEU 60 8.038 -3.335 7.578 436 HB2 LEU 60 1HB LEU 60 9.592 -2.086 5.645 437 HB3 LEU 60 2HB LEU 60 9.780 -1.059 7.054 438 HG LEU 60 HG LEU 60 10.270 -3.337 8.276 439 HD11 LEU 60 1HD1 LEU 60 10.027 -5.026 6.786 440 HD12 LEU 60 2HD1 LEU 60 11.711 -4.630 6.449 441 HD13 LEU 60 3HD1 LEU 60 10.433 -4.015 5.401 442 HD21 LEU 60 3HD2 LEU 60 12.207 -2.271 8.463 443 HD22 LEU 60 1HD2 LEU 60 11.866 -1.332 7.009 444 HD23 LEU 60 2HD2 LEU 60 12.677 -2.892 6.881 445 H ARG 61 H ARG 61 7.292 -2.767 9.508 446 HA ARG 61 HA ARG 61 6.781 0.090 10.041 447 HB2 ARG 61 1HB ARG 61 5.242 -2.363 10.854 448 HB3 ARG 61 2HB ARG 61 5.111 -0.867 11.769 449 HG2 ARG 61 1HG ARG 61 4.357 0.301 9.758 450 HG3 ARG 61 2HG ARG 61 4.485 -1.201 8.840 451 HD2 ARG 61 1HD ARG 61 2.488 -1.887 9.547 452 HD3 ARG 61 2HD ARG 61 2.909 -1.579 11.231 453 HE ARG 61 HE ARG 61 1.385 0.120 9.477 454 HH11 ARG 61 1HH1 ARG 61 3.347 0.023 12.376 455 HH12 ARG 61 2HH1 ARG 61 2.659 1.468 13.037 456 HH21 ARG 61 1HH2 ARG 61 0.490 2.030 10.349 457 HH22 ARG 61 2HH2 ARG 61 1.036 2.605 11.889 458 H LEU 62 H LEU 62 7.353 -2.979 11.793 459 HA LEU 62 HA LEU 62 8.279 -1.810 14.168 460 HB2 LEU 62 1HB LEU 62 8.277 -4.498 12.968 461 HB3 LEU 62 2HB LEU 62 9.580 -4.217 14.106 462 HG LEU 62 HG LEU 62 7.944 -3.616 15.840 463 HD11 LEU 62 1HD1 LEU 62 6.122 -2.714 14.676 464 HD12 LEU 62 2HD1 LEU 62 5.526 -4.238 15.334 465 HD13 LEU 62 3HD1 LEU 62 5.976 -4.127 13.632 466 HD21 LEU 62 3HD2 LEU 62 7.611 -5.768 16.432 467 HD22 LEU 62 1HD2 LEU 62 8.639 -6.087 15.035 468 HD23 LEU 62 2HD2 LEU 62 6.885 -6.198 14.885 469 H ILE 63 H ILE 63 10.298 -3.552 11.786 470 HA ILE 63 HA ILE 63 12.680 -2.236 12.738 471 HB ILE 63 HB ILE 63 12.777 -4.579 12.031 472 HG12 ILE 63 1HG1 ILE 63 14.403 -2.880 10.131 473 HG13 ILE 63 2HG1 ILE 63 14.779 -3.060 11.842 474 HG21 ILE 63 1HG2 ILE 63 11.940 -5.365 10.126 475 HG22 ILE 63 2HG2 ILE 63 12.753 -4.130 9.167 476 HG23 ILE 63 3HG2 ILE 63 11.196 -3.780 9.914 477 HD11 ILE 63 3HD1 ILE 63 16.066 -4.756 11.200 478 HD12 ILE 63 1HD1 ILE 63 15.307 -4.845 9.611 479 HD13 ILE 63 2HD1 ILE 63 14.566 -5.658 10.989 480 H LYS 64 H LYS 64 14.104 -0.954 11.432 481 HA LYS 64 HA LYS 64 13.094 0.170 8.961 482 HB2 LYS 64 1HB LYS 64 12.419 1.466 11.302 483 HB3 LYS 64 2HB LYS 64 13.871 2.318 10.794 484 HG2 LYS 64 1HG LYS 64 12.903 2.996 8.771 485 HG3 LYS 64 2HG LYS 64 11.592 1.825 8.910 486 HD2 LYS 64 1HD LYS 64 10.949 3.120 11.041 487 HD3 LYS 64 2HD LYS 64 11.993 4.394 10.408 488 HE2 LYS 64 1HE LYS 64 10.523 4.978 8.816 489 HE3 LYS 64 2HE LYS 64 10.114 3.303 8.445 490 HZ1 LYS 64 3HZ LYS 64 8.958 5.066 10.513 491 HZ2 LYS 64 1HZ LYS 64 8.830 3.383 10.640 492 HZ3 LYS 64 2HZ LYS 64 8.165 4.185 9.306 493 H GLY 65 H GLY 65 14.716 0.712 7.612 494 HA2 GLY 65 1HA GLY 65 17.038 1.926 7.826 495 HA3 GLY 65 2HA GLY 65 17.452 0.416 8.623 496 H GLY 66 H GLY 66 15.852 -1.282 6.905 497 HA2 GLY 66 1HA GLY 66 17.643 -1.305 4.582 498 HA3 GLY 66 2HA GLY 66 16.668 -2.652 5.151 Start of MODEL 15 1 H1 MET 1 1H MET 1 -8.320 -1.846 -4.675 2 H2 MET 1 2H MET 1 -9.740 -1.164 -4.001 3 H3 MET 1 3H MET 1 -8.682 -2.088 -3.018 4 HA MET 1 HA MET 1 -7.723 0.289 -4.414 5 HB2 MET 1 1HB MET 1 -8.303 1.591 -2.333 6 HB3 MET 1 2HB MET 1 -9.668 1.137 -3.340 7 HG2 MET 1 1HG MET 1 -10.594 0.485 -1.422 8 HG3 MET 1 2HG MET 1 -9.580 -0.946 -1.599 9 HE1 MET 1 3HE MET 1 -10.642 1.966 0.042 10 HE2 MET 1 1HE MET 1 -9.213 2.781 0.677 11 HE3 MET 1 2HE MET 1 -10.098 1.637 1.687 12 H ASN 2 H ASN 2 -7.671 -1.636 -1.383 13 HA ASN 2 HA ASN 2 -4.903 -0.864 -0.944 14 HB2 ASN 2 1HB ASN 2 -5.120 -2.227 1.148 15 HB3 ASN 2 2HB ASN 2 -6.266 -0.896 1.039 16 HD21 ASN 2 2HD2 ASN 2 -8.148 -1.473 1.875 17 HD22 ASN 2 1HD2 ASN 2 -8.923 -3.004 1.681 18 H VAL 3 H VAL 3 -3.178 -2.314 -0.856 19 HA VAL 3 HA VAL 3 -3.580 -4.769 -2.418 20 HB VAL 3 HB VAL 3 -1.135 -4.737 -2.788 21 HG11 VAL 3 1HG1 VAL 3 -2.112 -2.024 -3.567 22 HG12 VAL 3 2HG1 VAL 3 -2.915 -3.461 -4.198 23 HG13 VAL 3 3HG1 VAL 3 -1.198 -3.204 -4.506 24 HG21 VAL 3 3HG2 VAL 3 0.221 -2.861 -2.140 25 HG22 VAL 3 1HG2 VAL 3 -0.554 -3.520 -0.700 26 HG23 VAL 3 2HG2 VAL 3 -1.171 -2.042 -1.434 27 H THR 4 H THR 4 -2.976 -6.766 -1.641 28 HA THR 4 HA THR 4 -2.795 -7.025 1.208 29 HB THR 4 HB THR 4 -2.228 -9.326 -0.622 30 HG1 THR 4 HG1 THR 4 -4.265 -9.433 -1.322 31 HG21 THR 4 3HG2 THR 4 -2.376 -10.105 1.530 32 HG22 THR 4 1HG2 THR 4 -4.034 -10.307 0.965 33 HG23 THR 4 2HG2 THR 4 -3.612 -8.934 1.988 34 H VAL 5 H VAL 5 -0.992 -6.673 2.292 35 HA VAL 5 HA VAL 5 1.574 -7.436 1.059 36 HB VAL 5 HB VAL 5 2.611 -5.663 2.470 37 HG11 VAL 5 1HG1 VAL 5 1.799 -5.384 0.056 38 HG12 VAL 5 2HG1 VAL 5 2.137 -3.921 0.981 39 HG13 VAL 5 3HG1 VAL 5 0.472 -4.452 0.749 40 HG21 VAL 5 3HG2 VAL 5 0.660 -5.630 4.105 41 HG22 VAL 5 1HG2 VAL 5 -0.174 -4.627 2.919 42 HG23 VAL 5 2HG2 VAL 5 1.335 -4.069 3.642 43 H GLU 6 H GLU 6 2.940 -8.712 2.167 44 HA GLU 6 HA GLU 6 1.968 -9.947 4.598 45 HB2 GLU 6 1HB GLU 6 3.103 -11.126 2.602 46 HB3 GLU 6 2HB GLU 6 4.610 -10.518 3.269 47 HG2 GLU 6 1HG GLU 6 3.036 -11.797 5.311 48 HG3 GLU 6 2HG GLU 6 3.290 -12.874 3.937 49 H VAL 7 H VAL 7 2.373 -9.079 6.515 50 HA VAL 7 HA VAL 7 4.548 -7.203 6.886 51 HB VAL 7 HB VAL 7 2.636 -8.209 8.996 52 HG11 VAL 7 1HG1 VAL 7 4.343 -5.733 8.784 53 HG12 VAL 7 2HG1 VAL 7 4.526 -7.065 9.927 54 HG13 VAL 7 3HG1 VAL 7 3.123 -6.002 10.029 55 HG21 VAL 7 3HG2 VAL 7 1.999 -5.595 7.944 56 HG22 VAL 7 1HG2 VAL 7 0.963 -7.006 8.154 57 HG23 VAL 7 2HG2 VAL 7 1.921 -6.829 6.684 58 H VAL 8 H VAL 8 6.430 -7.568 7.928 59 HA VAL 8 HA VAL 8 7.293 -10.232 8.393 60 HB VAL 8 HB VAL 8 8.621 -7.705 9.395 61 HG11 VAL 8 1HG1 VAL 8 10.675 -9.015 9.271 62 HG12 VAL 8 2HG1 VAL 8 9.759 -10.418 8.720 63 HG13 VAL 8 3HG1 VAL 8 9.505 -9.779 10.344 64 HG21 VAL 8 3HG2 VAL 8 8.390 -8.836 6.671 65 HG22 VAL 8 1HG2 VAL 8 9.989 -8.272 7.159 66 HG23 VAL 8 2HG2 VAL 8 8.615 -7.166 7.195 67 H GLY 9 H GLY 9 6.898 -11.479 10.104 68 HA2 GLY 9 1HA GLY 9 6.786 -12.090 12.349 69 HA3 GLY 9 2HA GLY 9 6.939 -10.389 12.794 70 H GLU 10 H GLU 10 4.890 -9.133 11.740 71 HA GLU 10 HA GLU 10 2.642 -10.094 13.241 72 HB2 GLU 10 1HB GLU 10 3.539 -7.603 12.221 73 HB3 GLU 10 2HB GLU 10 1.951 -7.900 11.527 74 HG2 GLU 10 1HG GLU 10 2.066 -8.480 14.374 75 HG3 GLU 10 2HG GLU 10 2.484 -6.811 13.997 76 H GLU 11 H GLU 11 0.429 -10.174 12.270 77 HA GLU 11 HA GLU 11 0.269 -12.118 10.270 78 HB2 GLU 11 1HB GLU 11 -1.512 -10.852 12.022 79 HB3 GLU 11 2HB GLU 11 -2.156 -10.539 10.417 80 HG2 GLU 11 1HG GLU 11 -3.156 -12.518 10.685 81 HG3 GLU 11 2HG GLU 11 -1.590 -13.177 10.221 82 H THR 12 H THR 12 -1.699 -11.364 8.457 83 HA THR 12 HA THR 12 -0.148 -9.600 6.705 84 HB THR 12 HB THR 12 -2.465 -11.397 5.965 85 HG1 THR 12 HG1 THR 12 -1.109 -12.975 6.039 86 HG21 THR 12 3HG2 THR 12 -1.080 -11.295 3.740 87 HG22 THR 12 1HG2 THR 12 -0.558 -9.747 4.401 88 HG23 THR 12 2HG2 THR 12 -2.273 -10.056 4.133 89 H SER 13 H SER 13 -0.802 -7.636 6.176 90 HA SER 13 HA SER 13 -3.616 -6.888 6.635 91 HB2 SER 13 1HB SER 13 -1.110 -5.543 7.560 92 HB3 SER 13 2HB SER 13 -2.478 -4.532 7.098 93 HG SER 13 HG SER 13 -2.277 -5.341 9.389 94 H GLU 14 H GLU 14 -4.288 -4.942 5.409 95 HA GLU 14 HA GLU 14 -3.039 -4.947 2.747 96 HB2 GLU 14 1HB GLU 14 -5.848 -4.347 3.665 97 HB3 GLU 14 2HB GLU 14 -5.275 -3.917 2.059 98 HG2 GLU 14 1HG GLU 14 -6.010 -5.927 1.452 99 HG3 GLU 14 2HG GLU 14 -4.548 -6.540 2.222 100 H VAL 15 H VAL 15 -2.548 -3.029 1.691 101 HA VAL 15 HA VAL 15 -2.777 -0.556 3.273 102 HB VAL 15 HB VAL 15 -0.496 -1.376 3.530 103 HG11 VAL 15 1HG1 VAL 15 0.231 -2.656 1.831 104 HG12 VAL 15 2HG1 VAL 15 0.828 -1.126 1.187 105 HG13 VAL 15 3HG1 VAL 15 -0.710 -1.780 0.625 106 HG21 VAL 15 3HG2 VAL 15 -0.738 1.001 3.514 107 HG22 VAL 15 1HG2 VAL 15 -0.756 1.044 1.751 108 HG23 VAL 15 2HG2 VAL 15 0.719 0.600 2.608 109 H ALA 16 H ALA 16 -3.006 1.369 2.094 110 HA ALA 16 HA ALA 16 -4.104 1.006 -0.564 111 HB1 ALA 16 3HB ALA 16 -4.832 2.619 1.464 112 HB2 ALA 16 1HB ALA 16 -5.225 2.936 -0.225 113 HB3 ALA 16 2HB ALA 16 -3.844 3.737 0.523 114 H VAL 17 H VAL 17 -3.012 1.263 -2.389 115 HA VAL 17 HA VAL 17 -0.542 2.874 -2.357 116 HB VAL 17 HB VAL 17 -1.023 0.449 -4.099 117 HG11 VAL 17 1HG1 VAL 17 1.601 0.665 -4.088 118 HG12 VAL 17 2HG1 VAL 17 1.239 2.352 -3.725 119 HG13 VAL 17 3HG1 VAL 17 0.614 1.613 -5.200 120 HG21 VAL 17 3HG2 VAL 17 0.307 -0.852 -2.629 121 HG22 VAL 17 1HG2 VAL 17 -0.910 -0.060 -1.628 122 HG23 VAL 17 2HG2 VAL 17 0.743 0.556 -1.662 123 H ASP 18 H ASP 18 0.011 3.997 -4.270 124 HA ASP 18 HA ASP 18 -2.236 5.086 -5.691 125 HB2 ASP 18 1HB ASP 18 -0.456 6.443 -6.869 126 HB3 ASP 18 2HB ASP 18 -0.481 6.613 -5.117 127 H ASP 19 H ASP 19 0.575 3.097 -6.567 128 HA ASP 19 HA ASP 19 0.218 2.963 -9.311 129 HB2 ASP 19 1HB ASP 19 1.931 1.801 -7.487 130 HB3 ASP 19 2HB ASP 19 1.068 0.416 -8.150 131 H ASP 20 H ASP 20 -1.553 1.330 -6.800 132 HA ASP 20 HA ASP 20 -2.657 -0.828 -8.091 133 HB2 ASP 20 1HB ASP 20 -2.946 -0.044 -5.664 134 HB3 ASP 20 2HB ASP 20 -4.270 0.946 -6.264 135 H GLY 21 H GLY 21 -3.418 2.569 -8.543 136 HA2 GLY 21 1HA GLY 21 -4.562 3.571 -10.288 137 HA3 GLY 21 2HA GLY 21 -4.898 1.969 -10.938 138 H THR 22 H THR 22 -5.719 2.733 -7.636 139 HA THR 22 HA THR 22 -8.566 2.627 -8.371 140 HB THR 22 HB THR 22 -8.691 2.168 -5.761 141 HG1 THR 22 HG1 THR 22 -6.422 2.435 -5.462 142 HG21 THR 22 3HG2 THR 22 -9.234 0.598 -7.712 143 HG22 THR 22 1HG2 THR 22 -8.866 -0.107 -6.141 144 HG23 THR 22 2HG2 THR 22 -7.638 -0.090 -7.409 145 H TYR 23 H TYR 23 -9.923 3.687 -6.462 146 HA TYR 23 HA TYR 23 -9.651 6.455 -6.689 147 HB2 TYR 23 1HB TYR 23 -11.655 4.915 -5.884 148 HB3 TYR 23 2HB TYR 23 -11.021 5.311 -4.291 149 HD1 TYR 23 HD2 TYR 23 -11.041 7.635 -3.490 150 HD2 TYR 23 HD1 TYR 23 -12.769 6.566 -7.227 151 HE1 TYR 23 HE2 TYR 23 -12.241 9.778 -3.540 152 HE2 TYR 23 HE1 TYR 23 -13.974 8.707 -7.290 153 HH TYR 23 HH TYR 23 -14.381 10.667 -4.651 154 H ALA 24 H ALA 24 -8.351 4.221 -4.302 155 HA ALA 24 HA ALA 24 -7.646 5.972 -2.257 156 HB1 ALA 24 3HB ALA 24 -5.592 4.240 -2.160 157 HB2 ALA 24 1HB ALA 24 -6.700 3.332 -3.188 158 HB3 ALA 24 2HB ALA 24 -7.212 3.854 -1.582 159 H ASP 25 H ASP 25 -6.037 5.302 -5.333 160 HA ASP 25 HA ASP 25 -3.575 6.552 -4.870 161 HB2 ASP 25 1HB ASP 25 -3.988 5.155 -6.842 162 HB3 ASP 25 2HB ASP 25 -5.168 6.307 -7.444 163 H LEU 26 H LEU 26 -6.639 7.882 -6.099 164 HA LEU 26 HA LEU 26 -5.803 10.474 -6.666 165 HB2 LEU 26 1HB LEU 26 -8.053 9.347 -7.116 166 HB3 LEU 26 2HB LEU 26 -8.481 9.795 -5.477 167 HG LEU 26 HG LEU 26 -7.679 12.196 -6.425 168 HD11 LEU 26 1HD1 LEU 26 -8.677 12.455 -8.675 169 HD12 LEU 26 2HD1 LEU 26 -8.857 10.703 -8.766 170 HD13 LEU 26 3HD1 LEU 26 -7.249 11.421 -8.665 171 HD21 LEU 26 3HD2 LEU 26 -9.691 12.221 -5.367 172 HD22 LEU 26 1HD2 LEU 26 -10.283 10.793 -6.213 173 HD23 LEU 26 2HD2 LEU 26 -10.259 12.355 -7.032 174 H VAL 27 H VAL 27 -6.964 9.096 -3.609 175 HA VAL 27 HA VAL 27 -6.817 11.540 -2.156 176 HB VAL 27 HB VAL 27 -6.742 8.736 -1.032 177 HG11 VAL 27 1HG1 VAL 27 -7.456 9.672 1.011 178 HG12 VAL 27 2HG1 VAL 27 -7.804 11.232 0.265 179 HG13 VAL 27 3HG1 VAL 27 -6.135 10.695 0.450 180 HG21 VAL 27 3HG2 VAL 27 -8.687 9.382 -2.626 181 HG22 VAL 27 1HG2 VAL 27 -9.236 10.375 -1.277 182 HG23 VAL 27 2HG2 VAL 27 -9.058 8.632 -1.076 183 H ARG 28 H ARG 28 -4.672 8.700 -2.378 184 HA ARG 28 HA ARG 28 -2.707 9.562 -0.574 185 HB2 ARG 28 1HB ARG 28 -3.069 7.283 -1.907 186 HB3 ARG 28 2HB ARG 28 -1.875 8.007 -2.976 187 HG2 ARG 28 1HG ARG 28 -1.295 7.989 -0.065 188 HG3 ARG 28 2HG ARG 28 -1.189 6.462 -0.944 189 HD2 ARG 28 1HD ARG 28 0.094 8.485 -2.488 190 HD3 ARG 28 2HD ARG 28 0.696 8.588 -0.835 191 HE ARG 28 HE ARG 28 0.675 5.899 -1.781 192 HH11 ARG 28 1HH1 ARG 28 2.476 8.900 -1.973 193 HH12 ARG 28 2HH1 ARG 28 3.982 8.116 -2.312 194 HH21 ARG 28 1HH2 ARG 28 2.666 4.876 -2.230 195 HH22 ARG 28 2HH2 ARG 28 4.090 5.833 -2.458 196 H ALA 29 H ALA 29 -3.168 10.267 -4.000 197 HA ALA 29 HA ALA 29 -0.696 11.415 -4.604 198 HB1 ALA 29 3HB ALA 29 -1.975 12.676 -6.366 199 HB2 ALA 29 1HB ALA 29 -3.447 11.972 -5.693 200 HB3 ALA 29 2HB ALA 29 -2.200 10.926 -6.374 201 H VAL 30 H VAL 30 -3.378 12.700 -2.769 202 HA VAL 30 HA VAL 30 -2.286 15.406 -2.800 203 HB VAL 30 HB VAL 30 -4.701 14.440 -1.267 204 HG11 VAL 30 1HG1 VAL 30 -5.222 16.991 -1.952 205 HG12 VAL 30 2HG1 VAL 30 -3.465 17.058 -1.824 206 HG13 VAL 30 3HG1 VAL 30 -4.429 16.524 -0.447 207 HG21 VAL 30 3HG2 VAL 30 -4.842 13.920 -3.721 208 HG22 VAL 30 1HG2 VAL 30 -4.733 15.654 -4.023 209 HG23 VAL 30 2HG2 VAL 30 -6.095 15.001 -3.114 210 H ASP 31 H ASP 31 -1.026 12.964 -1.405 211 HA ASP 31 HA ASP 31 0.226 12.585 0.449 212 HB2 ASP 31 1HB ASP 31 -0.404 15.490 1.025 213 HB3 ASP 31 2HB ASP 31 0.731 14.519 1.953 214 H LEU 32 H LEU 32 -2.353 11.666 0.530 215 HA LEU 32 HA LEU 32 -3.033 12.001 3.375 216 HB2 LEU 32 1HB LEU 32 -4.785 12.142 0.978 217 HB3 LEU 32 2HB LEU 32 -5.426 11.328 2.392 218 HG LEU 32 HG LEU 32 -4.761 13.481 3.668 219 HD11 LEU 32 1HD1 LEU 32 -3.544 14.822 2.297 220 HD12 LEU 32 2HD1 LEU 32 -5.152 15.425 1.903 221 HD13 LEU 32 3HD1 LEU 32 -4.360 14.265 0.837 222 HD21 LEU 32 3HD2 LEU 32 -6.913 14.589 2.551 223 HD22 LEU 32 1HD2 LEU 32 -7.011 13.198 3.629 224 HD23 LEU 32 2HD2 LEU 32 -7.065 12.963 1.881 225 H SER 33 H SER 33 -1.863 10.134 3.921 226 HA SER 33 HA SER 33 -3.004 7.619 2.895 227 HB2 SER 33 1HB SER 33 -0.455 8.253 2.563 228 HB3 SER 33 2HB SER 33 -0.323 7.654 4.218 229 HG SER 33 HG SER 33 -1.257 5.691 3.493 230 HA PRO 34 HA PRO 34 -4.359 7.244 7.149 231 HB2 PRO 34 1HB PRO 34 -5.879 5.049 6.826 232 HB3 PRO 34 2HB PRO 34 -6.388 6.635 6.238 233 HG2 PRO 34 1HG PRO 34 -5.197 4.346 4.728 234 HG3 PRO 34 2HG PRO 34 -6.512 5.435 4.256 235 HD2 PRO 34 1HD PRO 34 -3.919 5.689 3.389 236 HD3 PRO 34 2HD PRO 34 -5.072 7.035 3.485 237 H HIS 35 H HIS 35 -2.943 4.578 5.287 238 HA HIS 35 HA HIS 35 -2.371 2.998 7.625 239 HB2 HIS 35 1HB HIS 35 -1.531 2.715 4.735 240 HB3 HIS 35 2HB HIS 35 -1.090 1.569 5.997 241 HD1 HIS 35 HD1 HIS 35 -2.917 -0.021 6.848 242 HD2 HIS 35 HD2 HIS 35 -4.232 2.635 3.937 243 HE1 HIS 35 HE1 HIS 35 -5.180 -0.862 6.145 244 HE2 HIS 35 HE2 HIS 35 -5.924 0.719 4.330 245 H GLU 36 H GLU 36 -0.520 5.058 5.412 246 HA GLU 36 HA GLU 36 1.598 5.882 5.477 247 HB2 GLU 36 1HB GLU 36 0.289 6.775 7.641 248 HB3 GLU 36 2HB GLU 36 1.596 5.921 8.448 249 HG2 GLU 36 1HG GLU 36 2.966 7.315 6.571 250 HG3 GLU 36 2HG GLU 36 1.632 8.416 6.912 251 H VAL 37 H VAL 37 1.925 3.378 4.950 252 HA VAL 37 HA VAL 37 4.029 2.425 6.794 253 HB VAL 37 HB VAL 37 3.481 0.105 5.957 254 HG11 VAL 37 1HG1 VAL 37 1.763 1.737 7.749 255 HG12 VAL 37 2HG1 VAL 37 2.794 0.354 8.117 256 HG13 VAL 37 3HG1 VAL 37 1.228 0.105 7.346 257 HG21 VAL 37 3HG2 VAL 37 1.412 -0.344 4.901 258 HG22 VAL 37 1HG2 VAL 37 2.148 0.974 3.990 259 HG23 VAL 37 2HG2 VAL 37 0.849 1.310 5.135 260 H THR 38 H THR 38 5.830 1.368 5.844 261 HA THR 38 HA THR 38 6.492 2.399 3.217 262 HB THR 38 HB THR 38 8.163 2.557 4.982 263 HG1 THR 38 HG1 THR 38 9.589 2.273 3.495 264 HG21 THR 38 3HG2 THR 38 7.487 -0.194 5.492 265 HG22 THR 38 1HG2 THR 38 8.398 0.948 6.479 266 HG23 THR 38 2HG2 THR 38 9.221 0.004 5.240 267 H VAL 39 H VAL 39 6.641 1.261 1.362 268 HA VAL 39 HA VAL 39 5.888 -1.579 1.480 269 HB VAL 39 HB VAL 39 5.215 -1.337 -0.886 270 HG11 VAL 39 1HG1 VAL 39 3.321 -1.110 0.318 271 HG12 VAL 39 2HG1 VAL 39 3.398 0.553 -0.263 272 HG13 VAL 39 3HG1 VAL 39 3.996 0.152 1.346 273 HG21 VAL 39 3HG2 VAL 39 6.640 1.140 -0.662 274 HG22 VAL 39 1HG2 VAL 39 4.974 1.458 -1.141 275 HG23 VAL 39 2HG2 VAL 39 5.976 0.366 -2.098 276 H LEU 40 H LEU 40 7.205 -3.141 0.757 277 HA LEU 40 HA LEU 40 9.804 -2.345 -0.352 278 HB2 LEU 40 1HB LEU 40 8.830 -4.672 1.236 279 HB3 LEU 40 2HB LEU 40 10.191 -4.918 0.158 280 HG LEU 40 HG LEU 40 10.093 -2.863 2.365 281 HD11 LEU 40 1HD1 LEU 40 10.321 -4.722 3.628 282 HD12 LEU 40 2HD1 LEU 40 12.004 -4.565 3.126 283 HD13 LEU 40 3HD1 LEU 40 10.937 -5.691 2.289 284 HD21 LEU 40 3HD2 LEU 40 11.582 -2.064 0.732 285 HD22 LEU 40 1HD2 LEU 40 12.206 -3.678 0.393 286 HD23 LEU 40 2HD2 LEU 40 12.602 -2.881 1.915 287 H VAL 41 H VAL 41 10.702 -3.452 -2.156 288 HA VAL 41 HA VAL 41 8.753 -4.884 -3.833 289 HB VAL 41 HB VAL 41 10.975 -3.094 -4.844 290 HG11 VAL 41 1HG1 VAL 41 10.370 -4.841 -6.402 291 HG12 VAL 41 2HG1 VAL 41 9.792 -3.283 -6.994 292 HG13 VAL 41 3HG1 VAL 41 8.663 -4.420 -6.254 293 HG21 VAL 41 3HG2 VAL 41 9.295 -1.747 -3.695 294 HG22 VAL 41 1HG2 VAL 41 8.024 -2.495 -4.661 295 HG23 VAL 41 2HG2 VAL 41 9.238 -1.478 -5.437 296 H ASP 42 H ASP 42 9.491 -6.749 -4.791 297 HA ASP 42 HA ASP 42 11.501 -8.246 -3.671 298 HB2 ASP 42 1HB ASP 42 9.800 -9.168 -5.182 299 HB3 ASP 42 2HB ASP 42 10.542 -8.330 -6.537 300 H GLY 43 H GLY 43 13.647 -8.088 -3.650 301 HA2 GLY 43 1HA GLY 43 15.229 -6.115 -4.518 302 HA3 GLY 43 2HA GLY 43 15.815 -7.760 -4.389 303 H ARG 44 H ARG 44 14.361 -5.411 -6.587 304 HA ARG 44 HA ARG 44 15.760 -6.736 -8.821 305 HB2 ARG 44 1HB ARG 44 12.893 -5.966 -8.595 306 HB3 ARG 44 2HB ARG 44 13.676 -5.721 -10.151 307 HG2 ARG 44 1HG ARG 44 14.382 -8.127 -10.060 308 HG3 ARG 44 2HG ARG 44 13.338 -8.301 -8.647 309 HD2 ARG 44 1HD ARG 44 11.896 -6.988 -10.742 310 HD3 ARG 44 2HD ARG 44 12.626 -8.462 -11.373 311 HE ARG 44 HE ARG 44 10.456 -8.269 -9.516 312 HH11 ARG 44 1HH1 ARG 44 13.129 -10.289 -10.534 313 HH12 ARG 44 2HH1 ARG 44 12.400 -11.753 -9.969 314 HH21 ARG 44 1HH2 ARG 44 9.498 -10.209 -8.769 315 HH22 ARG 44 2HH2 ARG 44 10.341 -11.709 -8.966 316 HA PRO 45 HA PRO 45 17.303 -2.566 -9.261 317 HB2 PRO 45 1HB PRO 45 18.935 -3.006 -11.366 318 HB3 PRO 45 2HB PRO 45 19.326 -3.561 -9.735 319 HG2 PRO 45 1HG PRO 45 18.214 -5.096 -12.045 320 HG3 PRO 45 2HG PRO 45 19.441 -5.582 -10.861 321 HD2 PRO 45 1HD PRO 45 16.810 -6.348 -10.744 322 HD3 PRO 45 2HD PRO 45 17.872 -6.236 -9.327 323 H VAL 46 H VAL 46 16.202 -4.369 -12.135 324 HA VAL 46 HA VAL 46 14.782 -1.977 -13.037 325 HB VAL 46 HB VAL 46 15.487 -2.471 -15.410 326 HG11 VAL 46 1HG1 VAL 46 17.977 -1.762 -13.979 327 HG12 VAL 46 2HG1 VAL 46 16.549 -0.790 -13.623 328 HG13 VAL 46 3HG1 VAL 46 17.138 -0.922 -15.281 329 HG21 VAL 46 3HG2 VAL 46 16.367 -4.630 -15.388 330 HG22 VAL 46 1HG2 VAL 46 17.360 -4.315 -13.963 331 HG23 VAL 46 2HG2 VAL 46 17.799 -3.609 -15.519 332 HA PRO 47 HA PRO 47 11.776 -5.364 -13.199 333 HB2 PRO 47 1HB PRO 47 9.991 -3.131 -13.991 334 HB3 PRO 47 2HB PRO 47 9.817 -4.296 -12.675 335 HG2 PRO 47 1HG PRO 47 10.458 -1.755 -12.182 336 HG3 PRO 47 2HG PRO 47 11.177 -3.078 -11.244 337 HD2 PRO 47 1HD PRO 47 12.354 -1.499 -13.503 338 HD3 PRO 47 2HD PRO 47 13.110 -2.019 -11.982 339 H GLU 48 H GLU 48 12.963 -6.089 -15.145 340 HA GLU 48 HA GLU 48 12.387 -5.044 -17.718 341 HB2 GLU 48 1HB GLU 48 13.472 -7.053 -18.575 342 HB3 GLU 48 2HB GLU 48 14.400 -6.368 -17.251 343 HG2 GLU 48 1HG GLU 48 14.300 -8.268 -16.123 344 HG3 GLU 48 2HG GLU 48 12.541 -8.287 -16.225 345 H ASP 49 H ASP 49 10.594 -7.055 -15.602 346 HA ASP 49 HA ASP 49 9.022 -8.311 -17.688 347 HB2 ASP 49 1HB ASP 49 7.764 -9.298 -15.771 348 HB3 ASP 49 2HB ASP 49 9.491 -9.636 -15.730 349 H GLN 50 H GLN 50 9.026 -5.272 -17.114 350 HA GLN 50 HA GLN 50 7.553 -3.564 -17.270 351 HB2 GLN 50 1HB GLN 50 6.492 -5.520 -18.825 352 HB3 GLN 50 2HB GLN 50 5.174 -5.268 -17.691 353 HG2 GLN 50 1HG GLN 50 4.521 -3.590 -18.980 354 HG3 GLN 50 2HG GLN 50 5.940 -2.706 -18.417 355 HE21 GLN 50 2HE2 GLN 50 7.970 -3.150 -19.666 356 HE22 GLN 50 1HE2 GLN 50 7.823 -3.303 -21.380 357 H SER 51 H SER 51 4.955 -3.166 -16.497 358 HA SER 51 HA SER 51 4.948 -3.929 -13.652 359 HB2 SER 51 1HB SER 51 4.618 -1.268 -14.958 360 HB3 SER 51 2HB SER 51 3.664 -1.601 -13.512 361 HG SER 51 HG SER 51 6.478 -1.941 -13.669 362 H VAL 52 H VAL 52 2.765 -3.718 -12.623 363 HA VAL 52 HA VAL 52 0.589 -4.313 -14.519 364 HB VAL 52 HB VAL 52 0.904 -5.733 -11.872 365 HG11 VAL 52 1HG1 VAL 52 -0.580 -7.386 -13.287 366 HG12 VAL 52 2HG1 VAL 52 -0.971 -5.917 -14.179 367 HG13 VAL 52 3HG1 VAL 52 -1.295 -6.011 -12.447 368 HG21 VAL 52 3HG2 VAL 52 2.705 -6.688 -12.878 369 HG22 VAL 52 1HG2 VAL 52 2.127 -6.331 -14.505 370 HG23 VAL 52 2HG2 VAL 52 1.447 -7.686 -13.605 371 H GLU 53 H GLU 53 -1.583 -3.979 -13.637 372 HA GLU 53 HA GLU 53 -2.023 -1.505 -12.547 373 HB2 GLU 53 1HB GLU 53 -4.309 -2.295 -11.974 374 HB3 GLU 53 2HB GLU 53 -3.820 -2.709 -13.611 375 HG2 GLU 53 1HG GLU 53 -3.063 -4.933 -12.217 376 HG3 GLU 53 2HG GLU 53 -4.516 -4.434 -11.354 377 H VAL 54 H VAL 54 -1.641 -4.566 -10.815 378 HA VAL 54 HA VAL 54 -1.454 -3.029 -8.303 379 HB VAL 54 HB VAL 54 -2.329 -5.908 -8.385 380 HG11 VAL 54 1HG1 VAL 54 -2.400 -3.700 -6.362 381 HG12 VAL 54 2HG1 VAL 54 -1.713 -5.318 -6.220 382 HG13 VAL 54 3HG1 VAL 54 -3.464 -5.099 -6.223 383 HG21 VAL 54 3HG2 VAL 54 -4.658 -4.620 -7.912 384 HG22 VAL 54 1HG2 VAL 54 -4.167 -5.221 -9.497 385 HG23 VAL 54 2HG2 VAL 54 -3.918 -3.526 -9.079 386 H ASP 55 H ASP 55 -0.062 -4.066 -6.656 387 HA ASP 55 HA ASP 55 1.848 -6.028 -7.619 388 HB2 ASP 55 1HB ASP 55 2.530 -3.459 -8.055 389 HB3 ASP 55 2HB ASP 55 3.120 -3.637 -6.405 390 H ARG 56 H ARG 56 2.930 -7.130 -5.979 391 HA ARG 56 HA ARG 56 1.759 -6.772 -3.319 392 HB2 ARG 56 1HB ARG 56 1.945 -9.034 -4.651 393 HB3 ARG 56 2HB ARG 56 3.588 -9.042 -4.023 394 HG2 ARG 56 1HG ARG 56 2.892 -9.247 -1.829 395 HG3 ARG 56 2HG ARG 56 1.277 -8.627 -2.177 396 HD2 ARG 56 1HD ARG 56 0.861 -10.695 -3.518 397 HD3 ARG 56 2HD ARG 56 2.408 -11.313 -2.942 398 HE ARG 56 HE ARG 56 -0.056 -11.213 -1.492 399 HH11 ARG 56 1HH1 ARG 56 3.429 -11.160 -1.136 400 HH12 ARG 56 2HH1 ARG 56 3.398 -11.770 0.484 401 HH21 ARG 56 1HH2 ARG 56 -0.093 -12.015 0.647 402 HH22 ARG 56 2HH2 ARG 56 1.398 -12.257 1.497 403 H VAL 57 H VAL 57 2.856 -5.859 -1.726 404 HA VAL 57 HA VAL 57 5.796 -5.782 -1.865 405 HB VAL 57 HB VAL 57 5.720 -3.480 -0.919 406 HG11 VAL 57 1HG1 VAL 57 5.843 -4.090 -3.427 407 HG12 VAL 57 2HG1 VAL 57 5.505 -2.417 -2.976 408 HG13 VAL 57 3HG1 VAL 57 4.193 -3.473 -3.496 409 HG21 VAL 57 3HG2 VAL 57 3.405 -2.336 -1.469 410 HG22 VAL 57 1HG2 VAL 57 3.701 -3.112 0.087 411 HG23 VAL 57 2HG2 VAL 57 2.796 -3.960 -1.165 412 H LYS 58 H LYS 58 6.788 -5.156 0.287 413 HA LYS 58 HA LYS 58 5.344 -6.546 2.442 414 HB2 LYS 58 1HB LYS 58 8.255 -5.869 2.617 415 HB3 LYS 58 2HB LYS 58 7.376 -7.198 3.356 416 HG2 LYS 58 1HG LYS 58 7.110 -7.732 0.682 417 HG3 LYS 58 2HG LYS 58 8.733 -7.045 0.783 418 HD2 LYS 58 1HD LYS 58 9.547 -8.847 1.844 419 HD3 LYS 58 2HD LYS 58 8.146 -8.960 2.910 420 HE2 LYS 58 1HE LYS 58 6.901 -9.898 0.888 421 HE3 LYS 58 2HE LYS 58 8.487 -10.077 0.142 422 HZ1 LYS 58 3HZ LYS 58 8.176 -11.167 2.828 423 HZ2 LYS 58 1HZ LYS 58 9.038 -11.775 1.505 424 HZ3 LYS 58 2HZ LYS 58 7.362 -11.979 1.589 425 H VAL 59 H VAL 59 4.979 -5.580 4.411 426 HA VAL 59 HA VAL 59 5.666 -2.717 4.584 427 HB VAL 59 HB VAL 59 3.712 -2.656 6.267 428 HG11 VAL 59 1HG1 VAL 59 2.072 -2.345 4.418 429 HG12 VAL 59 2HG1 VAL 59 3.276 -2.996 3.306 430 HG13 VAL 59 3HG1 VAL 59 3.601 -1.498 4.179 431 HG21 VAL 59 3HG2 VAL 59 3.459 -5.121 6.401 432 HG22 VAL 59 1HG2 VAL 59 2.902 -5.121 4.728 433 HG23 VAL 59 2HG2 VAL 59 1.967 -4.288 5.969 434 H LEU 60 H LEU 60 6.558 -1.891 6.431 435 HA LEU 60 HA LEU 60 7.443 -3.878 8.415 436 HB2 LEU 60 1HB LEU 60 9.166 -2.606 7.074 437 HB3 LEU 60 2HB LEU 60 8.639 -1.157 7.907 438 HG LEU 60 HG LEU 60 9.251 -2.279 10.075 439 HD11 LEU 60 1HD1 LEU 60 10.657 -4.216 10.050 440 HD12 LEU 60 2HD1 LEU 60 10.664 -4.250 8.287 441 HD13 LEU 60 3HD1 LEU 60 9.176 -4.595 9.170 442 HD21 LEU 60 3HD2 LEU 60 11.424 -1.843 8.030 443 HD22 LEU 60 1HD2 LEU 60 11.678 -1.940 9.772 444 HD23 LEU 60 2HD2 LEU 60 10.712 -0.628 9.094 445 H ARG 61 H ARG 61 6.838 -3.711 10.484 446 HA ARG 61 HA ARG 61 5.290 -1.334 11.271 447 HB2 ARG 61 1HB ARG 61 4.344 -3.800 11.272 448 HB3 ARG 61 2HB ARG 61 5.183 -3.893 12.813 449 HG2 ARG 61 1HG ARG 61 3.287 -3.097 13.676 450 HG3 ARG 61 2HG ARG 61 3.827 -1.537 13.054 451 HD2 ARG 61 1HD ARG 61 2.383 -1.588 11.275 452 HD3 ARG 61 2HD ARG 61 2.343 -3.350 11.221 453 HE ARG 61 HE ARG 61 1.116 -2.227 13.570 454 HH11 ARG 61 1HH1 ARG 61 0.585 -3.163 10.234 455 HH12 ARG 61 2HH1 ARG 61 -1.121 -3.379 10.439 456 HH21 ARG 61 1HH2 ARG 61 -1.132 -2.512 13.829 457 HH22 ARG 61 2HH2 ARG 61 -2.096 -3.011 12.479 458 H LEU 62 H LEU 62 7.561 -3.744 12.602 459 HA LEU 62 HA LEU 62 8.196 -2.021 14.846 460 HB2 LEU 62 1HB LEU 62 9.402 -4.674 14.047 461 HB3 LEU 62 2HB LEU 62 9.636 -3.853 15.578 462 HG LEU 62 HG LEU 62 6.836 -4.480 14.822 463 HD11 LEU 62 1HD1 LEU 62 8.324 -6.688 16.110 464 HD12 LEU 62 2HD1 LEU 62 8.536 -6.486 14.372 465 HD13 LEU 62 3HD1 LEU 62 6.924 -6.732 15.040 466 HD21 LEU 62 3HD2 LEU 62 7.961 -3.433 17.018 467 HD22 LEU 62 1HD2 LEU 62 7.998 -5.141 17.457 468 HD23 LEU 62 2HD2 LEU 62 6.467 -4.367 17.049 469 H ILE 63 H ILE 63 9.288 -0.248 14.119 470 HA ILE 63 HA ILE 63 11.560 -0.556 12.326 471 HB ILE 63 HB ILE 63 11.718 1.890 12.375 472 HG12 ILE 63 1HG1 ILE 63 9.385 2.774 13.578 473 HG13 ILE 63 2HG1 ILE 63 9.976 1.557 14.703 474 HG21 ILE 63 1HG2 ILE 63 8.958 0.793 11.874 475 HG22 ILE 63 2HG2 ILE 63 10.285 0.926 10.720 476 HG23 ILE 63 3HG2 ILE 63 9.509 2.382 11.342 477 HD11 ILE 63 3HD1 ILE 63 12.063 2.709 14.941 478 HD12 ILE 63 1HD1 ILE 63 10.744 3.850 15.207 479 HD13 ILE 63 2HD1 ILE 63 11.620 3.857 13.677 480 H LYS 64 H LYS 64 13.627 0.578 12.865 481 HA LYS 64 HA LYS 64 14.251 0.781 15.699 482 HB2 LYS 64 1HB LYS 64 16.292 -0.715 15.341 483 HB3 LYS 64 2HB LYS 64 14.731 -1.510 15.489 484 HG2 LYS 64 1HG LYS 64 14.663 -1.542 12.956 485 HG3 LYS 64 2HG LYS 64 16.362 -1.066 13.006 486 HD2 LYS 64 1HD LYS 64 17.044 -3.112 13.642 487 HD3 LYS 64 2HD LYS 64 15.685 -3.328 14.746 488 HE2 LYS 64 1HE LYS 64 14.557 -3.387 12.196 489 HE3 LYS 64 2HE LYS 64 16.053 -4.308 12.049 490 HZ1 LYS 64 3HZ LYS 64 15.301 -5.926 13.421 491 HZ2 LYS 64 1HZ LYS 64 13.795 -5.393 12.859 492 HZ3 LYS 64 2HZ LYS 64 14.367 -4.877 14.364 493 H GLY 65 H GLY 65 15.734 2.313 16.106 494 HA2 GLY 65 1HA GLY 65 18.001 3.012 14.791 495 HA3 GLY 65 2HA GLY 65 16.753 3.863 13.894 496 H GLY 66 H GLY 66 17.471 3.265 17.348 497 HA2 GLY 66 1HA GLY 66 18.200 5.849 18.041 498 HA3 GLY 66 2HA GLY 66 16.450 5.789 18.179 Start of MODEL 16 1 H1 MET 1 1H MET 1 -7.097 0.787 -5.225 2 H2 MET 1 2H MET 1 -7.710 1.270 -3.695 3 H3 MET 1 3H MET 1 -8.791 0.830 -4.953 4 HA MET 1 HA MET 1 -8.714 -0.949 -3.490 5 HB2 MET 1 1HB MET 1 -7.978 -1.095 -6.169 6 HB3 MET 1 2HB MET 1 -6.811 -2.130 -5.357 7 HG2 MET 1 1HG MET 1 -8.440 -3.586 -4.589 8 HG3 MET 1 2HG MET 1 -9.734 -2.406 -4.800 9 HE1 MET 1 3HE MET 1 -11.456 -3.531 -6.155 10 HE2 MET 1 1HE MET 1 -11.308 -3.538 -7.911 11 HE3 MET 1 2HE MET 1 -11.059 -2.040 -7.011 12 H ASN 2 H ASN 2 -7.742 -2.007 -1.863 13 HA ASN 2 HA ASN 2 -5.012 -1.286 -1.191 14 HB2 ASN 2 1HB ASN 2 -6.928 -3.000 0.401 15 HB3 ASN 2 2HB ASN 2 -5.460 -2.221 0.985 16 HD21 ASN 2 2HD2 ASN 2 -5.565 0.282 0.263 17 HD22 ASN 2 1HD2 ASN 2 -6.989 1.077 0.835 18 H VAL 3 H VAL 3 -3.304 -2.663 -1.141 19 HA VAL 3 HA VAL 3 -3.716 -5.318 -2.325 20 HB VAL 3 HB VAL 3 -1.123 -3.782 -2.049 21 HG11 VAL 3 1HG1 VAL 3 -0.097 -5.616 -2.770 22 HG12 VAL 3 2HG1 VAL 3 -1.189 -5.735 -4.148 23 HG13 VAL 3 3HG1 VAL 3 -1.621 -6.489 -2.616 24 HG21 VAL 3 3HG2 VAL 3 -1.335 -3.278 -4.421 25 HG22 VAL 3 1HG2 VAL 3 -2.706 -2.621 -3.527 26 HG23 VAL 3 2HG2 VAL 3 -2.895 -4.097 -4.474 27 H THR 4 H THR 4 -3.019 -7.176 -1.320 28 HA THR 4 HA THR 4 -2.710 -7.044 1.528 29 HB THR 4 HB THR 4 -2.201 -9.555 -0.027 30 HG1 THR 4 HG1 THR 4 -4.283 -9.781 -0.541 31 HG21 THR 4 3HG2 THR 4 -2.197 -9.467 2.494 32 HG22 THR 4 1HG2 THR 4 -3.265 -10.657 1.751 33 HG23 THR 4 2HG2 THR 4 -3.930 -9.154 2.391 34 H VAL 5 H VAL 5 -0.867 -6.528 2.466 35 HA VAL 5 HA VAL 5 1.656 -7.423 1.231 36 HB VAL 5 HB VAL 5 2.731 -5.486 2.362 37 HG11 VAL 5 1HG1 VAL 5 2.226 -3.982 0.671 38 HG12 VAL 5 2HG1 VAL 5 0.520 -4.427 0.647 39 HG13 VAL 5 3HG1 VAL 5 1.726 -5.521 -0.027 40 HG21 VAL 5 3HG2 VAL 5 1.345 -3.674 3.227 41 HG22 VAL 5 1HG2 VAL 5 1.079 -5.159 4.140 42 HG23 VAL 5 2HG2 VAL 5 -0.105 -4.636 2.943 43 H GLU 6 H GLU 6 3.125 -8.491 2.456 44 HA GLU 6 HA GLU 6 2.249 -9.474 5.031 45 HB2 GLU 6 1HB GLU 6 4.407 -10.159 3.095 46 HB3 GLU 6 2HB GLU 6 4.659 -10.596 4.780 47 HG2 GLU 6 1HG GLU 6 2.736 -11.977 4.806 48 HG3 GLU 6 2HG GLU 6 2.188 -11.356 3.249 49 H VAL 7 H VAL 7 2.614 -8.379 6.822 50 HA VAL 7 HA VAL 7 4.741 -6.403 6.966 51 HB VAL 7 HB VAL 7 2.794 -7.117 9.159 52 HG11 VAL 7 1HG1 VAL 7 3.985 -4.420 8.638 53 HG12 VAL 7 2HG1 VAL 7 4.893 -5.648 9.522 54 HG13 VAL 7 3HG1 VAL 7 3.338 -5.087 10.137 55 HG21 VAL 7 3HG2 VAL 7 1.146 -6.407 7.838 56 HG22 VAL 7 1HG2 VAL 7 2.273 -5.840 6.606 57 HG23 VAL 7 2HG2 VAL 7 1.861 -4.800 7.969 58 H VAL 8 H VAL 8 6.596 -6.599 8.119 59 HA VAL 8 HA VAL 8 7.315 -9.209 9.094 60 HB VAL 8 HB VAL 8 8.899 -6.647 9.364 61 HG11 VAL 8 1HG1 VAL 8 9.566 -8.653 10.745 62 HG12 VAL 8 2HG1 VAL 8 10.808 -8.018 9.665 63 HG13 VAL 8 3HG1 VAL 8 9.919 -9.477 9.224 64 HG21 VAL 8 3HG2 VAL 8 10.094 -7.598 7.299 65 HG22 VAL 8 1HG2 VAL 8 8.537 -6.804 7.064 66 HG23 VAL 8 2HG2 VAL 8 8.637 -8.563 7.071 67 H GLY 9 H GLY 9 6.930 -9.951 11.074 68 HA2 GLY 9 1HA GLY 9 7.082 -9.878 13.436 69 HA3 GLY 9 2HA GLY 9 7.044 -8.116 13.360 70 H GLU 10 H GLU 10 4.719 -8.034 11.583 71 HA GLU 10 HA GLU 10 2.629 -8.824 13.503 72 HB2 GLU 10 1HB GLU 10 2.817 -6.438 11.662 73 HB3 GLU 10 2HB GLU 10 1.325 -6.910 12.460 74 HG2 GLU 10 1HG GLU 10 1.943 -5.974 14.383 75 HG3 GLU 10 2HG GLU 10 3.545 -6.706 14.318 76 H GLU 11 H GLU 11 0.457 -9.189 12.502 77 HA GLU 11 HA GLU 11 0.551 -11.204 10.566 78 HB2 GLU 11 1HB GLU 11 -1.370 -10.152 12.267 79 HB3 GLU 11 2HB GLU 11 -2.021 -9.830 10.667 80 HG2 GLU 11 1HG GLU 11 -1.125 -12.463 10.553 81 HG3 GLU 11 2HG GLU 11 -1.874 -12.307 12.140 82 H THR 12 H THR 12 -1.390 -10.782 8.667 83 HA THR 12 HA THR 12 -0.060 -8.837 6.926 84 HB THR 12 HB THR 12 -0.116 -11.052 6.001 85 HG1 THR 12 HG1 THR 12 -0.508 -9.368 4.520 86 HG21 THR 12 3HG2 THR 12 -2.908 -11.080 6.911 87 HG22 THR 12 1HG2 THR 12 -1.754 -12.399 6.716 88 HG23 THR 12 2HG2 THR 12 -2.617 -11.770 5.314 89 H SER 13 H SER 13 -1.026 -7.079 6.147 90 HA SER 13 HA SER 13 -3.930 -6.761 6.512 91 HB2 SER 13 1HB SER 13 -1.827 -4.687 7.186 92 HB3 SER 13 2HB SER 13 -3.571 -4.435 7.248 93 HG SER 13 HG SER 13 -2.729 -4.956 9.303 94 H GLU 14 H GLU 14 -4.881 -5.052 5.177 95 HA GLU 14 HA GLU 14 -3.671 -5.016 2.529 96 HB2 GLU 14 1HB GLU 14 -6.393 -4.312 3.602 97 HB3 GLU 14 2HB GLU 14 -5.912 -3.844 1.979 98 HG2 GLU 14 1HG GLU 14 -6.800 -5.808 1.396 99 HG3 GLU 14 2HG GLU 14 -5.263 -6.468 1.952 100 H VAL 15 H VAL 15 -2.786 -3.284 1.571 101 HA VAL 15 HA VAL 15 -3.092 -0.657 2.864 102 HB VAL 15 HB VAL 15 -0.721 -0.154 2.395 103 HG11 VAL 15 1HG1 VAL 15 0.140 -2.080 4.045 104 HG12 VAL 15 2HG1 VAL 15 -1.598 -2.259 4.269 105 HG13 VAL 15 3HG1 VAL 15 -0.824 -0.705 4.580 106 HG21 VAL 15 3HG2 VAL 15 0.790 -2.130 1.950 107 HG22 VAL 15 1HG2 VAL 15 -0.192 -1.591 0.588 108 HG23 VAL 15 2HG2 VAL 15 -0.660 -3.027 1.497 109 H ALA 16 H ALA 16 -3.079 1.141 1.494 110 HA ALA 16 HA ALA 16 -3.796 0.577 -1.252 111 HB1 ALA 16 3HB ALA 16 -4.726 2.397 0.495 112 HB2 ALA 16 1HB ALA 16 -4.844 2.580 -1.257 113 HB3 ALA 16 2HB ALA 16 -3.547 3.382 -0.371 114 H VAL 17 H VAL 17 -2.488 0.696 -2.951 115 HA VAL 17 HA VAL 17 0.066 2.141 -2.654 116 HB VAL 17 HB VAL 17 0.898 0.535 -4.449 117 HG11 VAL 17 1HG1 VAL 17 0.338 -0.233 -1.601 118 HG12 VAL 17 2HG1 VAL 17 1.841 0.352 -2.315 119 HG13 VAL 17 3HG1 VAL 17 1.270 -1.279 -2.673 120 HG21 VAL 17 3HG2 VAL 17 -1.333 -0.364 -5.041 121 HG22 VAL 17 1HG2 VAL 17 -1.408 -1.134 -3.456 122 HG23 VAL 17 2HG2 VAL 17 -0.171 -1.619 -4.613 123 H ASP 18 H ASP 18 0.697 3.523 -4.204 124 HA ASP 18 HA ASP 18 -1.144 4.729 -5.901 125 HB2 ASP 18 1HB ASP 18 1.820 4.795 -5.641 126 HB3 ASP 18 2HB ASP 18 1.114 5.489 -7.095 127 H ASP 19 H ASP 19 0.871 1.934 -6.465 128 HA ASP 19 HA ASP 19 1.015 1.812 -9.227 129 HB2 ASP 19 1HB ASP 19 0.918 -0.239 -7.058 130 HB3 ASP 19 2HB ASP 19 0.712 -0.786 -8.717 131 H ASP 20 H ASP 20 -1.632 0.862 -7.090 132 HA ASP 20 HA ASP 20 -3.329 -0.450 -8.799 133 HB2 ASP 20 1HB ASP 20 -3.567 0.968 -6.293 134 HB3 ASP 20 2HB ASP 20 -5.002 1.216 -7.282 135 H GLY 21 H GLY 21 -3.040 3.054 -8.341 136 HA2 GLY 21 1HA GLY 21 -3.525 4.783 -9.800 137 HA3 GLY 21 2HA GLY 21 -3.811 3.577 -11.053 138 H THR 22 H THR 22 -5.555 3.418 -8.023 139 HA THR 22 HA THR 22 -8.041 3.840 -9.479 140 HB THR 22 HB THR 22 -9.123 3.036 -7.389 141 HG1 THR 22 HG1 THR 22 -7.936 3.333 -5.678 142 HG21 THR 22 3HG2 THR 22 -7.582 1.503 -9.154 143 HG22 THR 22 1HG2 THR 22 -8.898 0.960 -8.108 144 HG23 THR 22 2HG2 THR 22 -7.231 0.896 -7.535 145 H TYR 23 H TYR 23 -9.829 4.959 -8.103 146 HA TYR 23 HA TYR 23 -9.261 7.688 -7.968 147 HB2 TYR 23 1HB TYR 23 -11.469 7.958 -6.990 148 HB3 TYR 23 2HB TYR 23 -11.535 6.750 -8.266 149 HD1 TYR 23 HD2 TYR 23 -11.800 4.354 -7.688 150 HD2 TYR 23 HD1 TYR 23 -11.937 7.389 -4.709 151 HE1 TYR 23 HE2 TYR 23 -12.836 2.765 -6.124 152 HE2 TYR 23 HE1 TYR 23 -12.973 5.810 -3.138 153 HH TYR 23 HH TYR 23 -12.869 2.793 -3.217 154 H ALA 24 H ALA 24 -9.294 5.237 -5.422 155 HA ALA 24 HA ALA 24 -9.100 6.934 -3.207 156 HB1 ALA 24 3HB ALA 24 -9.494 4.384 -3.314 157 HB2 ALA 24 1HB ALA 24 -8.605 5.054 -1.947 158 HB3 ALA 24 2HB ALA 24 -7.735 4.273 -3.266 159 H ASP 25 H ASP 25 -6.604 5.674 -5.370 160 HA ASP 25 HA ASP 25 -4.342 6.397 -3.887 161 HB2 ASP 25 1HB ASP 25 -4.852 5.950 -6.806 162 HB3 ASP 25 2HB ASP 25 -3.300 6.594 -6.281 163 H LEU 26 H LEU 26 -6.357 8.313 -6.084 164 HA LEU 26 HA LEU 26 -4.709 10.546 -6.376 165 HB2 LEU 26 1HB LEU 26 -6.890 10.109 -7.560 166 HB3 LEU 26 2HB LEU 26 -7.715 10.611 -6.097 167 HG LEU 26 HG LEU 26 -6.154 12.773 -6.482 168 HD11 LEU 26 1HD1 LEU 26 -5.530 11.450 -8.727 169 HD12 LEU 26 2HD1 LEU 26 -5.578 13.210 -8.618 170 HD13 LEU 26 3HD1 LEU 26 -6.952 12.332 -9.287 171 HD21 LEU 26 3HD2 LEU 26 -8.904 12.050 -7.337 172 HD22 LEU 26 1HD2 LEU 26 -8.235 13.581 -7.905 173 HD23 LEU 26 2HD2 LEU 26 -8.357 13.259 -6.175 174 H VAL 27 H VAL 27 -7.009 9.714 -3.821 175 HA VAL 27 HA VAL 27 -6.634 12.116 -2.323 176 HB VAL 27 HB VAL 27 -7.648 9.465 -1.281 177 HG11 VAL 27 1HG1 VAL 27 -7.866 12.305 -0.328 178 HG12 VAL 27 2HG1 VAL 27 -7.244 10.899 0.536 179 HG13 VAL 27 3HG1 VAL 27 -8.973 11.043 0.214 180 HG21 VAL 27 3HG2 VAL 27 -9.059 11.630 -2.818 181 HG22 VAL 27 1HG2 VAL 27 -9.923 10.520 -1.754 182 HG23 VAL 27 2HG2 VAL 27 -9.025 9.896 -3.138 183 H ARG 28 H ARG 28 -5.344 8.816 -2.102 184 HA ARG 28 HA ARG 28 -3.826 9.114 0.234 185 HB2 ARG 28 1HB ARG 28 -4.386 6.984 -1.092 186 HB3 ARG 28 2HB ARG 28 -2.993 7.385 -2.086 187 HG2 ARG 28 1HG ARG 28 -1.704 7.477 0.145 188 HG3 ARG 28 2HG ARG 28 -3.083 6.593 0.797 189 HD2 ARG 28 1HD ARG 28 -1.938 4.775 0.145 190 HD3 ARG 28 2HD ARG 28 -2.566 5.167 -1.453 191 HE ARG 28 HE ARG 28 -0.462 5.848 -2.101 192 HH11 ARG 28 1HH1 ARG 28 -0.482 5.268 1.362 193 HH12 ARG 28 2HH1 ARG 28 1.240 5.354 1.508 194 HH21 ARG 28 1HH2 ARG 28 1.804 5.958 -1.893 195 HH22 ARG 28 2HH2 ARG 28 2.539 5.746 -0.340 196 H ALA 29 H ALA 29 -3.096 9.909 -3.120 197 HA ALA 29 HA ALA 29 -0.343 10.321 -2.946 198 HB1 ALA 29 3HB ALA 29 -0.493 11.103 -5.051 199 HB2 ALA 29 1HB ALA 29 -1.815 12.205 -4.668 200 HB3 ALA 29 2HB ALA 29 -2.145 10.495 -4.945 201 H VAL 30 H VAL 30 -2.955 12.278 -1.735 202 HA VAL 30 HA VAL 30 -1.264 14.618 -1.374 203 HB VAL 30 HB VAL 30 -4.079 14.257 -0.351 204 HG11 VAL 30 1HG1 VAL 30 -3.912 16.834 -0.979 205 HG12 VAL 30 2HG1 VAL 30 -2.200 16.529 -0.685 206 HG13 VAL 30 3HG1 VAL 30 -3.383 16.212 0.584 207 HG21 VAL 30 3HG2 VAL 30 -4.479 15.660 -2.585 208 HG22 VAL 30 1HG2 VAL 30 -4.565 13.901 -2.543 209 HG23 VAL 30 2HG2 VAL 30 -3.100 14.696 -3.113 210 H ASP 31 H ASP 31 -0.792 11.991 0.075 211 HA ASP 31 HA ASP 31 -0.043 11.309 2.094 212 HB2 ASP 31 1HB ASP 31 1.085 13.559 2.047 213 HB3 ASP 31 2HB ASP 31 -0.268 14.191 2.979 214 H LEU 32 H LEU 32 -2.655 10.836 1.664 215 HA LEU 32 HA LEU 32 -3.888 11.396 4.284 216 HB2 LEU 32 1HB LEU 32 -5.001 11.496 1.537 217 HB3 LEU 32 2HB LEU 32 -6.036 10.812 2.775 218 HG LEU 32 HG LEU 32 -5.495 12.991 4.092 219 HD11 LEU 32 1HD1 LEU 32 -5.295 14.326 1.475 220 HD12 LEU 32 2HD1 LEU 32 -3.841 13.500 2.030 221 HD13 LEU 32 3HD1 LEU 32 -4.579 14.751 3.029 222 HD21 LEU 32 3HD2 LEU 32 -7.710 12.556 3.420 223 HD22 LEU 32 1HD2 LEU 32 -7.319 12.773 1.714 224 HD23 LEU 32 2HD2 LEU 32 -7.337 14.163 2.798 225 H SER 33 H SER 33 -2.149 9.199 3.773 226 HA SER 33 HA SER 33 -3.906 6.889 3.477 227 HB2 SER 33 1HB SER 33 -1.444 5.832 4.009 228 HB3 SER 33 2HB SER 33 -2.042 6.201 2.396 229 HG SER 33 HG SER 33 -0.795 7.954 2.311 230 HA PRO 34 HA PRO 34 -4.363 6.734 7.929 231 HB2 PRO 34 1HB PRO 34 -5.673 4.151 7.426 232 HB3 PRO 34 2HB PRO 34 -6.338 5.624 8.134 233 HG2 PRO 34 1HG PRO 34 -7.047 4.775 5.680 234 HG3 PRO 34 2HG PRO 34 -6.937 6.498 6.086 235 HD2 PRO 34 1HD PRO 34 -4.995 4.770 4.598 236 HD3 PRO 34 2HD PRO 34 -5.508 6.437 4.258 237 H HIS 35 H HIS 35 -3.209 4.015 5.974 238 HA HIS 35 HA HIS 35 -2.084 2.623 8.231 239 HB2 HIS 35 1HB HIS 35 -2.155 2.177 5.275 240 HB3 HIS 35 2HB HIS 35 -0.939 1.333 6.227 241 HD1 HIS 35 HD1 HIS 35 -1.737 -0.982 6.570 242 HD2 HIS 35 HD2 HIS 35 -4.820 1.782 6.937 243 HE1 HIS 35 HE1 HIS 35 -3.771 -2.323 7.192 244 HE2 HIS 35 HE2 HIS 35 -5.639 -0.638 7.338 245 H GLU 36 H GLU 36 -0.828 4.599 5.559 246 HA GLU 36 HA GLU 36 1.204 5.534 5.152 247 HB2 GLU 36 1HB GLU 36 0.396 6.726 7.249 248 HB3 GLU 36 2HB GLU 36 1.477 5.675 8.153 249 HG2 GLU 36 1HG GLU 36 3.245 6.579 6.415 250 HG3 GLU 36 2HG GLU 36 2.105 7.919 6.315 251 H VAL 37 H VAL 37 1.700 3.181 4.519 252 HA VAL 37 HA VAL 37 4.074 2.297 6.038 253 HB VAL 37 HB VAL 37 3.513 -0.029 5.122 254 HG11 VAL 37 1HG1 VAL 37 1.396 0.685 7.050 255 HG12 VAL 37 2HG1 VAL 37 3.046 1.111 7.503 256 HG13 VAL 37 3HG1 VAL 37 2.636 -0.565 7.136 257 HG21 VAL 37 3HG2 VAL 37 0.671 0.832 5.087 258 HG22 VAL 37 1HG2 VAL 37 1.456 -0.517 4.267 259 HG23 VAL 37 2HG2 VAL 37 1.653 1.122 3.651 260 H THR 38 H THR 38 5.840 1.567 4.870 261 HA THR 38 HA THR 38 5.981 2.508 2.120 262 HB THR 38 HB THR 38 8.189 1.276 3.781 263 HG1 THR 38 HG1 THR 38 7.380 3.987 3.581 264 HG21 THR 38 3HG2 THR 38 9.343 1.487 1.895 265 HG22 THR 38 1HG2 THR 38 9.287 3.224 2.203 266 HG23 THR 38 2HG2 THR 38 8.096 2.479 1.136 267 H VAL 39 H VAL 39 6.184 1.236 0.337 268 HA VAL 39 HA VAL 39 5.824 -1.644 0.734 269 HB VAL 39 HB VAL 39 5.123 -1.733 -1.608 270 HG11 VAL 39 1HG1 VAL 39 3.007 -0.958 -1.233 271 HG12 VAL 39 2HG1 VAL 39 3.565 0.551 -0.510 272 HG13 VAL 39 3HG1 VAL 39 3.634 -0.948 0.415 273 HG21 VAL 39 3HG2 VAL 39 4.661 0.812 -2.459 274 HG22 VAL 39 1HG2 VAL 39 6.033 -0.180 -2.951 275 HG23 VAL 39 2HG2 VAL 39 6.215 0.991 -1.646 276 H LEU 40 H LEU 40 7.275 -3.140 0.094 277 HA LEU 40 HA LEU 40 9.720 -2.173 -1.236 278 HB2 LEU 40 1HB LEU 40 9.253 -4.066 1.000 279 HB3 LEU 40 2HB LEU 40 10.533 -4.480 -0.128 280 HG LEU 40 HG LEU 40 10.614 -1.702 0.848 281 HD11 LEU 40 1HD1 LEU 40 9.866 -3.316 2.798 282 HD12 LEU 40 2HD1 LEU 40 11.075 -2.056 3.053 283 HD13 LEU 40 3HD1 LEU 40 11.582 -3.725 2.797 284 HD21 LEU 40 3HD2 LEU 40 12.481 -3.916 0.186 285 HD22 LEU 40 1HD2 LEU 40 13.036 -2.666 1.299 286 HD23 LEU 40 2HD2 LEU 40 12.498 -2.228 -0.323 287 H VAL 41 H VAL 41 10.509 -3.280 -2.980 288 HA VAL 41 HA VAL 41 8.746 -5.335 -4.119 289 HB VAL 41 HB VAL 41 10.964 -3.920 -5.595 290 HG11 VAL 41 1HG1 VAL 41 10.011 -5.939 -6.617 291 HG12 VAL 41 2HG1 VAL 41 9.667 -4.493 -7.565 292 HG13 VAL 41 3HG1 VAL 41 8.409 -5.204 -6.556 293 HG21 VAL 41 3HG2 VAL 41 8.644 -2.689 -6.420 294 HG22 VAL 41 1HG2 VAL 41 9.856 -1.996 -5.343 295 HG23 VAL 41 2HG2 VAL 41 8.436 -2.800 -4.673 296 H ASP 42 H ASP 42 9.515 -7.375 -4.567 297 HA ASP 42 HA ASP 42 11.801 -8.257 -3.170 298 HB2 ASP 42 1HB ASP 42 11.368 -10.444 -4.233 299 HB3 ASP 42 2HB ASP 42 9.903 -9.747 -3.549 300 H GLY 43 H GLY 43 13.814 -8.091 -3.712 301 HA2 GLY 43 1HA GLY 43 15.636 -7.428 -4.960 302 HA3 GLY 43 2HA GLY 43 15.231 -8.910 -5.799 303 H ARG 44 H ARG 44 13.389 -5.867 -5.876 304 HA ARG 44 HA ARG 44 14.235 -5.500 -8.668 305 HB2 ARG 44 1HB ARG 44 11.634 -6.268 -7.753 306 HB3 ARG 44 2HB ARG 44 11.536 -4.652 -8.436 307 HG2 ARG 44 1HG ARG 44 13.097 -6.161 -10.215 308 HG3 ARG 44 2HG ARG 44 11.720 -7.172 -9.767 309 HD2 ARG 44 1HD ARG 44 10.287 -5.105 -10.225 310 HD3 ARG 44 2HD ARG 44 11.713 -4.445 -11.025 311 HE ARG 44 HE ARG 44 10.955 -7.070 -11.940 312 HH11 ARG 44 1HH1 ARG 44 10.497 -3.625 -12.388 313 HH12 ARG 44 2HH1 ARG 44 9.948 -3.789 -14.022 314 HH21 ARG 44 1HH2 ARG 44 10.229 -7.274 -14.091 315 HH22 ARG 44 2HH2 ARG 44 9.796 -5.858 -14.989 316 HA PRO 45 HA PRO 45 14.793 -1.316 -7.285 317 HB2 PRO 45 1HB PRO 45 15.145 -0.121 -9.701 318 HB3 PRO 45 2HB PRO 45 16.387 -1.109 -8.925 319 HG2 PRO 45 1HG PRO 45 14.524 -1.801 -11.143 320 HG3 PRO 45 2HG PRO 45 16.213 -2.277 -10.903 321 HD2 PRO 45 1HD PRO 45 14.057 -3.897 -10.368 322 HD3 PRO 45 2HD PRO 45 15.648 -4.065 -9.603 323 H VAL 46 H VAL 46 12.752 -1.616 -10.220 324 HA VAL 46 HA VAL 46 10.518 -0.344 -8.939 325 HB VAL 46 HB VAL 46 10.380 1.420 -10.836 326 HG11 VAL 46 1HG1 VAL 46 12.516 2.143 -8.900 327 HG12 VAL 46 2HG1 VAL 46 10.943 1.659 -8.272 328 HG13 VAL 46 3HG1 VAL 46 11.066 3.031 -9.372 329 HG21 VAL 46 3HG2 VAL 46 13.341 1.510 -10.744 330 HG22 VAL 46 1HG2 VAL 46 12.229 2.005 -12.020 331 HG23 VAL 46 2HG2 VAL 46 12.599 0.297 -11.785 332 HA PRO 47 HA PRO 47 8.613 -2.764 -12.163 333 HB2 PRO 47 1HB PRO 47 6.045 -2.247 -11.643 334 HB3 PRO 47 2HB PRO 47 7.047 -3.139 -10.491 335 HG2 PRO 47 1HG PRO 47 6.170 -0.287 -10.434 336 HG3 PRO 47 2HG PRO 47 6.345 -1.434 -9.095 337 HD2 PRO 47 1HD PRO 47 8.201 0.522 -9.822 338 HD3 PRO 47 2HD PRO 47 8.527 -0.879 -8.786 339 H GLU 48 H GLU 48 9.667 -0.290 -13.134 340 HA GLU 48 HA GLU 48 7.697 1.267 -14.454 341 HB2 GLU 48 1HB GLU 48 10.053 1.985 -13.921 342 HB3 GLU 48 2HB GLU 48 10.596 0.964 -15.247 343 HG2 GLU 48 1HG GLU 48 8.954 2.325 -16.685 344 HG3 GLU 48 2HG GLU 48 8.973 3.475 -15.349 345 H ASP 49 H ASP 49 9.553 -1.584 -15.383 346 HA ASP 49 HA ASP 49 8.552 -1.525 -18.106 347 HB2 ASP 49 1HB ASP 49 10.505 -3.194 -16.593 348 HB3 ASP 49 2HB ASP 49 9.740 -3.904 -18.010 349 H GLN 50 H GLN 50 7.536 -2.793 -15.096 350 HA GLN 50 HA GLN 50 6.191 -5.119 -15.916 351 HB2 GLN 50 1HB GLN 50 6.736 -4.110 -13.528 352 HB3 GLN 50 2HB GLN 50 5.109 -3.461 -13.681 353 HG2 GLN 50 1HG GLN 50 5.005 -5.532 -12.497 354 HG3 GLN 50 2HG GLN 50 4.282 -5.756 -14.090 355 HE21 GLN 50 2HE2 GLN 50 5.247 -7.111 -15.558 356 HE22 GLN 50 1HE2 GLN 50 6.567 -8.151 -15.156 357 H SER 51 H SER 51 4.013 -5.510 -16.394 358 HA SER 51 HA SER 51 2.463 -3.143 -17.221 359 HB2 SER 51 1HB SER 51 3.502 -4.856 -18.994 360 HB3 SER 51 2HB SER 51 2.021 -5.737 -18.620 361 HG SER 51 HG SER 51 2.280 -3.108 -19.640 362 H VAL 52 H VAL 52 1.650 -3.385 -14.958 363 HA VAL 52 HA VAL 52 -0.787 -4.986 -14.984 364 HB VAL 52 HB VAL 52 -0.396 -5.770 -12.640 365 HG11 VAL 52 1HG1 VAL 52 0.593 -7.735 -13.295 366 HG12 VAL 52 2HG1 VAL 52 1.790 -6.924 -14.307 367 HG13 VAL 52 3HG1 VAL 52 0.119 -7.064 -14.855 368 HG21 VAL 52 3HG2 VAL 52 2.328 -4.628 -13.175 369 HG22 VAL 52 1HG2 VAL 52 2.081 -5.919 -12.000 370 HG23 VAL 52 2HG2 VAL 52 1.270 -4.369 -11.788 371 H GLU 53 H GLU 53 -2.046 -4.504 -12.833 372 HA GLU 53 HA GLU 53 -1.990 -1.590 -12.482 373 HB2 GLU 53 1HB GLU 53 -4.315 -1.839 -11.633 374 HB3 GLU 53 2HB GLU 53 -4.114 -2.365 -13.298 375 HG2 GLU 53 1HG GLU 53 -3.973 -4.361 -11.081 376 HG3 GLU 53 2HG GLU 53 -5.533 -3.771 -11.641 377 H VAL 54 H VAL 54 -1.919 -4.633 -10.697 378 HA VAL 54 HA VAL 54 -1.144 -3.110 -8.302 379 HB VAL 54 HB VAL 54 -2.315 -4.677 -6.858 380 HG11 VAL 54 1HG1 VAL 54 -4.481 -3.973 -8.746 381 HG12 VAL 54 2HG1 VAL 54 -3.459 -2.656 -8.173 382 HG13 VAL 54 3HG1 VAL 54 -4.332 -3.663 -7.017 383 HG21 VAL 54 3HG2 VAL 54 -3.182 -5.989 -9.430 384 HG22 VAL 54 1HG2 VAL 54 -3.935 -6.300 -7.866 385 HG23 VAL 54 2HG2 VAL 54 -2.236 -6.701 -8.122 386 H ASP 55 H ASP 55 0.100 -4.394 -6.724 387 HA ASP 55 HA ASP 55 1.401 -6.799 -7.718 388 HB2 ASP 55 1HB ASP 55 2.602 -4.372 -8.231 389 HB3 ASP 55 2HB ASP 55 3.371 -4.863 -6.723 390 H ARG 56 H ARG 56 2.656 -7.904 -6.056 391 HA ARG 56 HA ARG 56 1.595 -7.330 -3.382 392 HB2 ARG 56 1HB ARG 56 1.362 -9.625 -4.262 393 HB3 ARG 56 2HB ARG 56 3.109 -9.749 -4.407 394 HG2 ARG 56 1HG ARG 56 3.362 -9.591 -2.008 395 HG3 ARG 56 2HG ARG 56 1.626 -9.335 -1.816 396 HD2 ARG 56 1HD ARG 56 2.731 -11.790 -3.148 397 HD3 ARG 56 2HD ARG 56 2.540 -11.692 -1.399 398 HE ARG 56 HE ARG 56 0.096 -10.995 -2.304 399 HH11 ARG 56 1HH1 ARG 56 2.184 -13.717 -3.003 400 HH12 ARG 56 2HH1 ARG 56 0.871 -14.794 -3.343 401 HH21 ARG 56 1HH2 ARG 56 -1.630 -12.423 -2.754 402 HH22 ARG 56 2HH2 ARG 56 -1.290 -14.061 -3.202 403 H VAL 57 H VAL 57 2.797 -6.381 -1.886 404 HA VAL 57 HA VAL 57 5.732 -6.543 -2.041 405 HB VAL 57 HB VAL 57 5.834 -4.139 -1.316 406 HG11 VAL 57 1HG1 VAL 57 6.451 -4.211 -3.491 407 HG12 VAL 57 2HG1 VAL 57 4.925 -3.362 -3.720 408 HG13 VAL 57 3HG1 VAL 57 5.013 -5.103 -3.986 409 HG21 VAL 57 3HG2 VAL 57 3.837 -3.410 -0.534 410 HG22 VAL 57 1HG2 VAL 57 2.908 -4.434 -1.625 411 HG23 VAL 57 2HG2 VAL 57 3.618 -2.933 -2.218 412 H LYS 58 H LYS 58 6.764 -5.754 0.041 413 HA LYS 58 HA LYS 58 5.124 -6.638 2.325 414 HB2 LYS 58 1HB LYS 58 7.469 -6.950 3.408 415 HB3 LYS 58 2HB LYS 58 6.883 -8.151 2.267 416 HG2 LYS 58 1HG LYS 58 8.210 -7.087 0.492 417 HG3 LYS 58 2HG LYS 58 8.830 -5.928 1.670 418 HD2 LYS 58 1HD LYS 58 10.499 -7.567 1.523 419 HD3 LYS 58 2HD LYS 58 9.615 -7.973 2.997 420 HE2 LYS 58 1HE LYS 58 9.212 -10.002 2.188 421 HE3 LYS 58 2HE LYS 58 8.331 -9.287 0.842 422 HZ1 LYS 58 3HZ LYS 58 9.918 -10.333 -0.341 423 HZ2 LYS 58 1HZ LYS 58 11.035 -10.355 0.930 424 HZ3 LYS 58 2HZ LYS 58 10.830 -8.952 0.007 425 H VAL 59 H VAL 59 4.740 -5.269 3.959 426 HA VAL 59 HA VAL 59 6.021 -2.630 3.839 427 HB VAL 59 HB VAL 59 4.152 -1.875 5.314 428 HG11 VAL 59 1HG1 VAL 59 3.541 -3.020 2.603 429 HG12 VAL 59 2HG1 VAL 59 3.970 -1.360 3.020 430 HG13 VAL 59 3HG1 VAL 59 2.402 -2.011 3.495 431 HG21 VAL 59 3HG2 VAL 59 2.983 -4.588 4.702 432 HG22 VAL 59 1HG2 VAL 59 2.163 -3.266 5.532 433 HG23 VAL 59 2HG2 VAL 59 3.557 -4.046 6.278 434 H LEU 60 H LEU 60 7.029 -1.721 5.574 435 HA LEU 60 HA LEU 60 7.443 -3.470 7.914 436 HB2 LEU 60 1HB LEU 60 9.326 -1.922 6.228 437 HB3 LEU 60 2HB LEU 60 9.632 -1.896 7.955 438 HG LEU 60 HG LEU 60 9.742 -4.357 7.969 439 HD11 LEU 60 1HD1 LEU 60 8.333 -5.004 6.196 440 HD12 LEU 60 2HD1 LEU 60 9.961 -5.472 5.706 441 HD13 LEU 60 3HD1 LEU 60 9.216 -4.023 5.029 442 HD21 LEU 60 3HD2 LEU 60 11.920 -4.422 7.307 443 HD22 LEU 60 1HD2 LEU 60 11.683 -2.675 7.318 444 HD23 LEU 60 2HD2 LEU 60 11.604 -3.566 5.798 445 H ARG 61 H ARG 61 6.884 -2.646 9.838 446 HA ARG 61 HA ARG 61 5.698 -0.075 10.055 447 HB2 ARG 61 1HB ARG 61 5.625 -2.377 11.549 448 HB3 ARG 61 2HB ARG 61 6.565 -1.304 12.577 449 HG2 ARG 61 1HG ARG 61 4.685 0.396 12.189 450 HG3 ARG 61 2HG ARG 61 3.752 -0.982 11.600 451 HD2 ARG 61 1HD ARG 61 3.180 -1.333 13.723 452 HD3 ARG 61 2HD ARG 61 4.830 -1.902 13.967 453 HE ARG 61 HE ARG 61 5.283 0.005 15.152 454 HH11 ARG 61 1HH1 ARG 61 2.282 0.469 13.396 455 HH12 ARG 61 2HH1 ARG 61 1.905 1.961 14.189 456 HH21 ARG 61 1HH2 ARG 61 4.778 1.976 16.190 457 HH22 ARG 61 2HH2 ARG 61 3.322 2.817 15.774 458 H LEU 62 H LEU 62 8.881 -1.363 10.924 459 HA LEU 62 HA LEU 62 9.871 1.378 11.184 460 HB2 LEU 62 1HB LEU 62 10.075 -0.766 13.278 461 HB3 LEU 62 2HB LEU 62 11.263 0.519 13.181 462 HG LEU 62 HG LEU 62 8.382 1.272 13.306 463 HD11 LEU 62 1HD1 LEU 62 8.168 -0.057 15.128 464 HD12 LEU 62 2HD1 LEU 62 8.945 1.320 15.908 465 HD13 LEU 62 3HD1 LEU 62 9.901 -0.090 15.450 466 HD21 LEU 62 3HD2 LEU 62 10.697 2.526 14.738 467 HD22 LEU 62 1HD2 LEU 62 9.180 3.259 14.216 468 HD23 LEU 62 2HD2 LEU 62 10.410 2.838 13.025 469 H ILE 63 H ILE 63 11.731 1.660 10.097 470 HA ILE 63 HA ILE 63 13.544 -0.609 9.737 471 HB ILE 63 HB ILE 63 12.127 -0.602 7.740 472 HG12 ILE 63 1HG1 ILE 63 14.781 0.483 6.853 473 HG13 ILE 63 2HG1 ILE 63 14.695 -1.038 7.736 474 HG21 ILE 63 1HG2 ILE 63 11.319 1.390 7.112 475 HG22 ILE 63 2HG2 ILE 63 12.827 1.546 6.213 476 HG23 ILE 63 3HG2 ILE 63 12.676 2.272 7.812 477 HD11 ILE 63 3HD1 ILE 63 12.794 -1.353 5.783 478 HD12 ILE 63 1HD1 ILE 63 14.439 -1.985 5.743 479 HD13 ILE 63 2HD1 ILE 63 14.068 -0.447 4.965 480 H LYS 64 H LYS 64 15.686 -0.091 9.541 481 HA LYS 64 HA LYS 64 17.611 1.093 9.723 482 HB2 LYS 64 1HB LYS 64 15.841 3.092 8.384 483 HB3 LYS 64 2HB LYS 64 17.396 3.622 9.009 484 HG2 LYS 64 1HG LYS 64 18.187 1.444 7.673 485 HG3 LYS 64 2HG LYS 64 16.764 1.873 6.720 486 HD2 LYS 64 1HD LYS 64 17.645 4.117 6.381 487 HD3 LYS 64 2HD LYS 64 19.045 3.734 7.385 488 HE2 LYS 64 1HE LYS 64 19.968 2.329 5.794 489 HE3 LYS 64 2HE LYS 64 18.418 2.038 5.008 490 HZ1 LYS 64 3HZ LYS 64 19.685 4.709 4.965 491 HZ2 LYS 64 1HZ LYS 64 18.493 4.088 3.936 492 HZ3 LYS 64 2HZ LYS 64 20.084 3.527 3.823 493 H GLY 65 H GLY 65 18.249 1.280 11.760 494 HA2 GLY 65 1HA GLY 65 18.647 3.152 13.410 495 HA3 GLY 65 2HA GLY 65 16.896 3.266 13.482 496 H GLY 66 H GLY 66 19.311 0.629 13.679 497 HA2 GLY 66 1HA GLY 66 18.838 0.030 16.385 498 HA3 GLY 66 2HA GLY 66 17.792 -0.986 15.404 Start of MODEL 17 1 H1 MET 1 1H MET 1 -7.359 2.211 -3.450 2 H2 MET 1 2H MET 1 -8.552 1.967 -4.659 3 H3 MET 1 3H MET 1 -6.898 1.655 -5.005 4 HA MET 1 HA MET 1 -8.758 0.164 -3.297 5 HB2 MET 1 1HB MET 1 -8.485 -0.241 -5.797 6 HB3 MET 1 2HB MET 1 -6.846 -0.767 -5.442 7 HG2 MET 1 1HG MET 1 -8.378 -2.649 -5.668 8 HG3 MET 1 2HG MET 1 -7.687 -2.559 -4.050 9 HE1 MET 1 3HE MET 1 -11.461 -3.145 -5.612 10 HE2 MET 1 1HE MET 1 -11.245 -4.125 -4.161 11 HE3 MET 1 2HE MET 1 -9.969 -4.056 -5.377 12 H ASN 2 H ASN 2 -7.915 -1.482 -1.962 13 HA ASN 2 HA ASN 2 -5.282 -0.846 -0.869 14 HB2 ASN 2 1HB ASN 2 -7.774 -2.002 0.184 15 HB3 ASN 2 2HB ASN 2 -6.318 -2.814 0.751 16 HD21 ASN 2 2HD2 ASN 2 -8.395 -0.872 1.919 17 HD22 ASN 2 1HD2 ASN 2 -7.421 0.296 2.739 18 H VAL 3 H VAL 3 -3.647 -2.342 -0.607 19 HA VAL 3 HA VAL 3 -3.929 -4.852 -2.130 20 HB VAL 3 HB VAL 3 -1.388 -3.238 -1.843 21 HG11 VAL 3 1HG1 VAL 3 -2.074 -5.849 -3.018 22 HG12 VAL 3 2HG1 VAL 3 -0.542 -5.259 -2.377 23 HG13 VAL 3 3HG1 VAL 3 -1.046 -4.813 -4.007 24 HG21 VAL 3 3HG2 VAL 3 -1.832 -2.910 -4.387 25 HG22 VAL 3 1HG2 VAL 3 -2.639 -1.864 -3.219 26 HG23 VAL 3 2HG2 VAL 3 -3.513 -3.212 -3.947 27 H THR 4 H THR 4 -3.134 -6.712 -1.209 28 HA THR 4 HA THR 4 -2.719 -6.671 1.626 29 HB THR 4 HB THR 4 -2.290 -9.040 -0.195 30 HG1 THR 4 HG1 THR 4 -4.425 -9.351 -0.255 31 HG21 THR 4 3HG2 THR 4 -3.491 -9.058 2.548 32 HG22 THR 4 1HG2 THR 4 -1.747 -9.156 2.299 33 HG23 THR 4 2HG2 THR 4 -2.805 -10.395 1.625 34 H VAL 5 H VAL 5 -0.880 -6.160 2.550 35 HA VAL 5 HA VAL 5 1.642 -6.890 1.212 36 HB VAL 5 HB VAL 5 2.655 -4.981 2.529 37 HG11 VAL 5 1HG1 VAL 5 1.685 -5.028 0.050 38 HG12 VAL 5 2HG1 VAL 5 2.390 -3.578 0.765 39 HG13 VAL 5 3HG1 VAL 5 0.639 -3.777 0.724 40 HG21 VAL 5 3HG2 VAL 5 1.148 -3.202 3.275 41 HG22 VAL 5 1HG2 VAL 5 0.871 -4.697 4.169 42 HG23 VAL 5 2HG2 VAL 5 -0.241 -4.217 2.888 43 H GLU 6 H GLU 6 3.172 -7.961 2.359 44 HA GLU 6 HA GLU 6 2.360 -9.132 4.869 45 HB2 GLU 6 1HB GLU 6 3.520 -10.439 3.106 46 HB3 GLU 6 2HB GLU 6 4.950 -9.448 3.340 47 HG2 GLU 6 1HG GLU 6 4.487 -10.311 5.872 48 HG3 GLU 6 2HG GLU 6 3.922 -11.686 4.924 49 H VAL 7 H VAL 7 2.647 -8.118 6.726 50 HA VAL 7 HA VAL 7 4.750 -6.112 7.002 51 HB VAL 7 HB VAL 7 2.484 -5.507 7.737 52 HG11 VAL 7 1HG1 VAL 7 1.649 -7.658 8.443 53 HG12 VAL 7 2HG1 VAL 7 1.538 -6.514 9.780 54 HG13 VAL 7 3HG1 VAL 7 2.824 -7.719 9.755 55 HG21 VAL 7 3HG2 VAL 7 3.920 -5.624 10.313 56 HG22 VAL 7 1HG2 VAL 7 3.222 -4.248 9.461 57 HG23 VAL 7 2HG2 VAL 7 4.785 -4.892 8.961 58 H VAL 8 H VAL 8 6.522 -6.351 8.247 59 HA VAL 8 HA VAL 8 7.447 -8.880 8.963 60 HB VAL 8 HB VAL 8 8.367 -6.262 10.168 61 HG11 VAL 8 1HG1 VAL 8 9.591 -8.997 9.976 62 HG12 VAL 8 2HG1 VAL 8 9.373 -7.978 11.400 63 HG13 VAL 8 3HG1 VAL 8 10.580 -7.552 10.188 64 HG21 VAL 8 3HG2 VAL 8 8.332 -6.904 7.480 65 HG22 VAL 8 1HG2 VAL 8 9.965 -7.329 7.988 66 HG23 VAL 8 2HG2 VAL 8 9.358 -5.694 8.250 67 H GLY 9 H GLY 9 6.878 -10.197 10.556 68 HA2 GLY 9 1HA GLY 9 6.834 -10.386 13.050 69 HA3 GLY 9 2HA GLY 9 5.720 -9.020 13.012 70 H GLU 10 H GLU 10 3.656 -9.561 13.256 71 HA GLU 10 HA GLU 10 2.777 -12.190 12.257 72 HB2 GLU 10 1HB GLU 10 1.143 -12.239 14.109 73 HB3 GLU 10 2HB GLU 10 2.806 -12.206 14.680 74 HG2 GLU 10 1HG GLU 10 1.939 -9.524 14.492 75 HG3 GLU 10 2HG GLU 10 0.658 -10.435 15.288 76 H GLU 11 H GLU 11 0.623 -12.357 11.479 77 HA GLU 11 HA GLU 11 -1.238 -11.718 10.351 78 HB2 GLU 11 1HB GLU 11 -1.445 -10.275 12.515 79 HB3 GLU 11 2HB GLU 11 -1.039 -8.938 11.449 80 HG2 GLU 11 1HG GLU 11 -3.094 -8.857 10.618 81 HG3 GLU 11 2HG GLU 11 -3.121 -10.594 10.320 82 H THR 12 H THR 12 -2.058 -10.230 8.643 83 HA THR 12 HA THR 12 0.169 -9.008 7.151 84 HB THR 12 HB THR 12 -0.666 -11.097 6.117 85 HG1 THR 12 HG1 THR 12 0.118 -9.739 4.626 86 HG21 THR 12 3HG2 THR 12 -3.256 -9.613 5.746 87 HG22 THR 12 1HG2 THR 12 -3.008 -11.017 6.784 88 HG23 THR 12 2HG2 THR 12 -2.833 -11.172 5.037 89 H SER 13 H SER 13 -0.085 -6.979 6.391 90 HA SER 13 HA SER 13 -2.602 -5.618 7.069 91 HB2 SER 13 1HB SER 13 0.250 -4.824 7.090 92 HB3 SER 13 2HB SER 13 -0.884 -3.589 6.543 93 HG SER 13 HG SER 13 -0.758 -4.905 9.036 94 H GLU 14 H GLU 14 -3.351 -3.894 5.621 95 HA GLU 14 HA GLU 14 -2.626 -4.385 2.811 96 HB2 GLU 14 1HB GLU 14 -5.377 -4.018 3.995 97 HB3 GLU 14 2HB GLU 14 -5.046 -3.923 2.272 98 HG2 GLU 14 1HG GLU 14 -5.210 -6.119 2.102 99 HG3 GLU 14 2HG GLU 14 -3.890 -6.319 3.250 100 H VAL 15 H VAL 15 -2.042 -2.632 1.694 101 HA VAL 15 HA VAL 15 -2.929 0.010 2.646 102 HB VAL 15 HB VAL 15 -0.611 -0.354 3.379 103 HG11 VAL 15 1HG1 VAL 15 1.191 -0.465 1.675 104 HG12 VAL 15 2HG1 VAL 15 -0.045 -0.706 0.440 105 HG13 VAL 15 3HG1 VAL 15 0.168 -1.901 1.718 106 HG21 VAL 15 3HG2 VAL 15 0.221 1.733 2.726 107 HG22 VAL 15 1HG2 VAL 15 -1.528 1.899 2.576 108 HG23 VAL 15 2HG2 VAL 15 -0.539 1.643 1.138 109 H ALA 16 H ALA 16 -3.157 1.629 1.067 110 HA ALA 16 HA ALA 16 -3.766 0.606 -1.575 111 HB1 ALA 16 3HB ALA 16 -4.074 3.418 -0.535 112 HB2 ALA 16 1HB ALA 16 -5.296 2.156 -0.382 113 HB3 ALA 16 2HB ALA 16 -4.816 2.729 -1.979 114 H VAL 17 H VAL 17 -2.505 0.769 -3.308 115 HA VAL 17 HA VAL 17 -0.208 2.624 -3.199 116 HB VAL 17 HB VAL 17 0.857 1.036 -4.878 117 HG11 VAL 17 1HG1 VAL 17 1.540 1.248 -2.515 118 HG12 VAL 17 2HG1 VAL 17 1.759 -0.387 -3.140 119 HG13 VAL 17 3HG1 VAL 17 0.390 -0.020 -2.091 120 HG21 VAL 17 3HG2 VAL 17 -1.567 -0.184 -4.913 121 HG22 VAL 17 1HG2 VAL 17 -0.685 -1.210 -3.783 122 HG23 VAL 17 2HG2 VAL 17 -0.056 -0.947 -5.410 123 H ASP 18 H ASP 18 0.410 3.716 -5.071 124 HA ASP 18 HA ASP 18 -1.676 4.600 -6.752 125 HB2 ASP 18 1HB ASP 18 1.287 5.004 -6.673 126 HB3 ASP 18 2HB ASP 18 0.392 5.528 -8.096 127 H ASP 19 H ASP 19 0.533 1.932 -7.044 128 HA ASP 19 HA ASP 19 0.683 1.576 -9.796 129 HB2 ASP 19 1HB ASP 19 0.399 -0.632 -7.742 130 HB3 ASP 19 2HB ASP 19 1.085 -0.785 -9.355 131 H ASP 20 H ASP 20 -1.904 0.730 -7.554 132 HA ASP 20 HA ASP 20 -3.481 -0.840 -9.233 133 HB2 ASP 20 1HB ASP 20 -3.732 -0.336 -6.709 134 HB3 ASP 20 2HB ASP 20 -4.662 1.066 -7.226 135 H GLY 21 H GLY 21 -3.437 2.692 -8.793 136 HA2 GLY 21 1HA GLY 21 -3.959 4.307 -10.398 137 HA3 GLY 21 2HA GLY 21 -4.524 3.027 -11.466 138 H THR 22 H THR 22 -5.725 3.257 -8.187 139 HA THR 22 HA THR 22 -8.375 3.854 -9.272 140 HB THR 22 HB THR 22 -8.751 3.384 -6.587 141 HG1 THR 22 HG1 THR 22 -6.832 1.474 -7.392 142 HG21 THR 22 3HG2 THR 22 -8.687 1.344 -8.796 143 HG22 THR 22 1HG2 THR 22 -10.063 2.336 -8.316 144 HG23 THR 22 2HG2 THR 22 -9.430 1.115 -7.212 145 H TYR 23 H TYR 23 -9.815 5.294 -7.961 146 HA TYR 23 HA TYR 23 -8.725 7.868 -7.743 147 HB2 TYR 23 1HB TYR 23 -11.163 7.251 -8.104 148 HB3 TYR 23 2HB TYR 23 -11.256 6.954 -6.372 149 HD1 TYR 23 HD1 TYR 23 -9.914 9.659 -8.596 150 HD2 TYR 23 HD2 TYR 23 -12.227 8.659 -5.167 151 HE1 TYR 23 HE1 TYR 23 -10.386 12.045 -8.226 152 HE2 TYR 23 HE2 TYR 23 -12.704 11.041 -4.788 153 HH TYR 23 HH TYR 23 -11.363 13.328 -5.500 154 H ALA 24 H ALA 24 -9.350 5.412 -5.277 155 HA ALA 24 HA ALA 24 -8.955 6.947 -2.984 156 HB1 ALA 24 3HB ALA 24 -8.790 4.068 -3.643 157 HB2 ALA 24 1HB ALA 24 -9.720 4.897 -2.395 158 HB3 ALA 24 2HB ALA 24 -8.000 4.588 -2.156 159 H ASP 25 H ASP 25 -6.604 5.403 -5.124 160 HA ASP 25 HA ASP 25 -4.320 5.750 -3.516 161 HB2 ASP 25 1HB ASP 25 -4.315 5.826 -6.534 162 HB3 ASP 25 2HB ASP 25 -3.021 5.304 -5.465 163 H LEU 26 H LEU 26 -5.829 7.865 -5.933 164 HA LEU 26 HA LEU 26 -3.892 9.859 -6.064 165 HB2 LEU 26 1HB LEU 26 -6.449 9.473 -7.084 166 HB3 LEU 26 2HB LEU 26 -6.610 10.916 -6.104 167 HG LEU 26 HG LEU 26 -6.136 11.512 -8.405 168 HD11 LEU 26 1HD1 LEU 26 -4.162 12.104 -6.273 169 HD12 LEU 26 2HD1 LEU 26 -5.252 13.181 -7.141 170 HD13 LEU 26 3HD1 LEU 26 -3.775 12.614 -7.915 171 HD21 LEU 26 3HD2 LEU 26 -3.964 9.516 -8.077 172 HD22 LEU 26 1HD2 LEU 26 -3.643 10.918 -9.097 173 HD23 LEU 26 2HD2 LEU 26 -4.998 9.851 -9.466 174 H VAL 27 H VAL 27 -6.586 9.445 -3.797 175 HA VAL 27 HA VAL 27 -6.189 11.860 -2.369 176 HB VAL 27 HB VAL 27 -7.372 9.301 -1.275 177 HG11 VAL 27 1HG1 VAL 27 -8.145 10.488 0.481 178 HG12 VAL 27 2HG1 VAL 27 -8.385 11.953 -0.470 179 HG13 VAL 27 3HG1 VAL 27 -6.772 11.529 0.103 180 HG21 VAL 27 3HG2 VAL 27 -8.285 10.548 -3.511 181 HG22 VAL 27 1HG2 VAL 27 -9.197 11.385 -2.255 182 HG23 VAL 27 2HG2 VAL 27 -9.294 9.631 -2.395 183 H ARG 28 H ARG 28 -5.031 8.547 -1.852 184 HA ARG 28 HA ARG 28 -3.670 9.046 0.572 185 HB2 ARG 28 1HB ARG 28 -3.777 6.873 -1.422 186 HB3 ARG 28 2HB ARG 28 -2.283 6.964 -0.502 187 HG2 ARG 28 1HG ARG 28 -3.702 5.473 0.650 188 HG3 ARG 28 2HG ARG 28 -3.690 6.970 1.582 189 HD2 ARG 28 1HD ARG 28 -5.895 7.166 1.388 190 HD3 ARG 28 2HD ARG 28 -5.785 7.070 -0.367 191 HE ARG 28 HE ARG 28 -5.569 4.486 0.409 192 HH11 ARG 28 1HH1 ARG 28 -7.905 7.002 1.094 193 HH12 ARG 28 2HH1 ARG 28 -9.219 5.894 1.303 194 HH21 ARG 28 1HH2 ARG 28 -7.305 3.032 0.680 195 HH22 ARG 28 2HH2 ARG 28 -8.878 3.641 1.068 196 H ALA 29 H ALA 29 -2.706 9.334 -2.807 197 HA ALA 29 HA ALA 29 0.049 9.590 -2.531 198 HB1 ALA 29 3HB ALA 29 -1.536 11.198 -4.509 199 HB2 ALA 29 1HB ALA 29 -1.336 9.454 -4.666 200 HB3 ALA 29 2HB ALA 29 0.078 10.510 -4.686 201 H VAL 30 H VAL 30 -2.464 11.836 -1.674 202 HA VAL 30 HA VAL 30 -0.637 14.088 -1.471 203 HB VAL 30 HB VAL 30 -3.521 13.998 -0.589 204 HG11 VAL 30 1HG1 VAL 30 -3.114 16.502 -1.440 205 HG12 VAL 30 2HG1 VAL 30 -1.476 16.107 -0.919 206 HG13 VAL 30 3HG1 VAL 30 -2.816 15.992 0.222 207 HG21 VAL 30 3HG2 VAL 30 -4.203 14.715 -2.749 208 HG22 VAL 30 1HG2 VAL 30 -3.194 13.287 -2.983 209 HG23 VAL 30 2HG2 VAL 30 -2.533 14.892 -3.288 210 H ASP 31 H ASP 31 -0.388 11.611 0.253 211 HA ASP 31 HA ASP 31 0.232 11.085 2.358 212 HB2 ASP 31 1HB ASP 31 0.534 14.041 2.330 213 HB3 ASP 31 2HB ASP 31 0.511 13.261 3.908 214 H LEU 32 H LEU 32 -2.378 10.739 1.862 215 HA LEU 32 HA LEU 32 -3.630 11.462 4.424 216 HB2 LEU 32 1HB LEU 32 -4.873 11.532 1.678 217 HB3 LEU 32 2HB LEU 32 -5.822 11.516 3.151 218 HG LEU 32 HG LEU 32 -3.803 13.608 3.194 219 HD11 LEU 32 1HD1 LEU 32 -4.847 13.204 0.672 220 HD12 LEU 32 2HD1 LEU 32 -4.127 14.694 1.281 221 HD13 LEU 32 3HD1 LEU 32 -5.874 14.465 1.352 222 HD21 LEU 32 3HD2 LEU 32 -6.703 14.191 3.199 223 HD22 LEU 32 1HD2 LEU 32 -5.427 14.753 4.280 224 HD23 LEU 32 2HD2 LEU 32 -6.101 13.136 4.477 225 H SER 33 H SER 33 -2.240 9.118 4.082 226 HA SER 33 HA SER 33 -4.238 7.045 3.543 227 HB2 SER 33 1HB SER 33 -1.924 6.909 2.520 228 HB3 SER 33 2HB SER 33 -1.302 6.646 4.149 229 HG SER 33 HG SER 33 -3.085 5.004 2.679 230 HA PRO 34 HA PRO 34 -4.841 6.501 7.915 231 HB2 PRO 34 1HB PRO 34 -6.194 4.164 7.861 232 HB3 PRO 34 2HB PRO 34 -6.920 5.689 7.342 233 HG2 PRO 34 1HG PRO 34 -5.763 3.481 5.690 234 HG3 PRO 34 2HG PRO 34 -7.236 4.430 5.419 235 HD2 PRO 34 1HD PRO 34 -4.875 4.913 4.137 236 HD3 PRO 34 2HD PRO 34 -6.087 6.168 4.462 237 H HIS 35 H HIS 35 -3.473 3.889 5.947 238 HA HIS 35 HA HIS 35 -2.414 2.478 8.227 239 HB2 HIS 35 1HB HIS 35 -2.825 1.910 5.457 240 HB3 HIS 35 2HB HIS 35 -1.125 1.644 5.826 241 HD1 HIS 35 HD1 HIS 35 -3.787 0.949 8.382 242 HD2 HIS 35 HD2 HIS 35 -1.358 -1.130 5.726 243 HE1 HIS 35 HE1 HIS 35 -4.027 -1.473 9.006 244 HE2 HIS 35 HE2 HIS 35 -2.613 -2.719 7.338 245 H GLU 36 H GLU 36 -1.115 4.575 5.676 246 HA GLU 36 HA GLU 36 0.871 5.643 5.421 247 HB2 GLU 36 1HB GLU 36 -0.062 6.514 7.694 248 HB3 GLU 36 2HB GLU 36 1.236 5.560 8.400 249 HG2 GLU 36 1HG GLU 36 2.585 6.925 6.492 250 HG3 GLU 36 2HG GLU 36 1.335 8.091 6.918 251 H VAL 37 H VAL 37 1.355 3.228 4.711 252 HA VAL 37 HA VAL 37 3.820 2.418 6.122 253 HB VAL 37 HB VAL 37 3.348 0.084 5.283 254 HG11 VAL 37 1HG1 VAL 37 1.318 -0.101 7.028 255 HG12 VAL 37 2HG1 VAL 37 1.918 1.505 7.441 256 HG13 VAL 37 3HG1 VAL 37 3.000 0.114 7.517 257 HG21 VAL 37 3HG2 VAL 37 1.014 -0.475 4.770 258 HG22 VAL 37 1HG2 VAL 37 1.699 0.635 3.583 259 HG23 VAL 37 2HG2 VAL 37 0.601 1.238 4.822 260 H THR 38 H THR 38 5.566 1.763 4.874 261 HA THR 38 HA THR 38 5.532 2.741 2.131 262 HB THR 38 HB THR 38 7.358 3.461 3.596 263 HG1 THR 38 HG1 THR 38 8.772 3.328 2.028 264 HG21 THR 38 3HG2 THR 38 8.094 0.546 3.731 265 HG22 THR 38 1HG2 THR 38 7.631 1.593 5.072 266 HG23 THR 38 2HG2 THR 38 9.146 1.876 4.217 267 H VAL 39 H VAL 39 5.823 1.514 0.328 268 HA VAL 39 HA VAL 39 5.597 -1.380 0.693 269 HB VAL 39 HB VAL 39 4.957 -1.477 -1.668 270 HG11 VAL 39 1HG1 VAL 39 2.812 -0.910 -1.257 271 HG12 VAL 39 2HG1 VAL 39 3.228 0.713 -0.706 272 HG13 VAL 39 3HG1 VAL 39 3.424 -0.664 0.379 273 HG21 VAL 39 3HG2 VAL 39 5.344 1.515 -1.625 274 HG22 VAL 39 1HG2 VAL 39 4.550 0.619 -2.921 275 HG23 VAL 39 2HG2 VAL 39 6.257 0.341 -2.574 276 H LEU 40 H LEU 40 7.148 -2.791 0.163 277 HA LEU 40 HA LEU 40 9.581 -1.729 -1.109 278 HB2 LEU 40 1HB LEU 40 9.102 -3.703 1.058 279 HB3 LEU 40 2HB LEU 40 10.448 -4.016 -0.025 280 HG LEU 40 HG LEU 40 10.233 -1.304 1.198 281 HD11 LEU 40 1HD1 LEU 40 10.846 -1.888 3.294 282 HD12 LEU 40 2HD1 LEU 40 11.700 -3.336 2.763 283 HD13 LEU 40 3HD1 LEU 40 9.941 -3.349 2.896 284 HD21 LEU 40 3HD2 LEU 40 12.740 -2.872 1.020 285 HD22 LEU 40 1HD2 LEU 40 12.449 -1.159 0.725 286 HD23 LEU 40 2HD2 LEU 40 12.003 -2.352 -0.493 287 H VAL 41 H VAL 41 10.469 -2.752 -2.842 288 HA VAL 41 HA VAL 41 8.842 -4.846 -4.108 289 HB VAL 41 HB VAL 41 11.062 -3.294 -5.441 290 HG11 VAL 41 1HG1 VAL 41 8.650 -4.757 -6.512 291 HG12 VAL 41 2HG1 VAL 41 10.332 -5.275 -6.620 292 HG13 VAL 41 3HG1 VAL 41 9.796 -3.836 -7.487 293 HG21 VAL 41 3HG2 VAL 41 8.606 -2.229 -6.285 294 HG22 VAL 41 1HG2 VAL 41 9.864 -1.425 -5.347 295 HG23 VAL 41 2HG2 VAL 41 8.546 -2.255 -4.523 296 H ASP 42 H ASP 42 9.695 -6.853 -4.502 297 HA ASP 42 HA ASP 42 11.972 -7.669 -3.059 298 HB2 ASP 42 1HB ASP 42 11.651 -9.851 -4.207 299 HB3 ASP 42 2HB ASP 42 10.163 -9.228 -3.501 300 H GLY 43 H GLY 43 14.000 -7.424 -3.546 301 HA2 GLY 43 1HA GLY 43 15.814 -6.645 -4.756 302 HA3 GLY 43 2HA GLY 43 15.520 -8.168 -5.567 303 H ARG 44 H ARG 44 13.569 -5.191 -5.759 304 HA ARG 44 HA ARG 44 14.432 -4.894 -8.552 305 HB2 ARG 44 1HB ARG 44 11.909 -5.810 -7.729 306 HB3 ARG 44 2HB ARG 44 11.664 -4.145 -8.233 307 HG2 ARG 44 1HG ARG 44 11.890 -4.652 -10.386 308 HG3 ARG 44 2HG ARG 44 13.317 -5.648 -10.092 309 HD2 ARG 44 1HD ARG 44 11.047 -6.988 -9.023 310 HD3 ARG 44 2HD ARG 44 10.668 -6.481 -10.669 311 HE ARG 44 HE ARG 44 12.557 -8.493 -9.859 312 HH11 ARG 44 1HH1 ARG 44 11.690 -6.236 -12.392 313 HH12 ARG 44 2HH1 ARG 44 12.487 -7.134 -13.638 314 HH21 ARG 44 1HH2 ARG 44 13.614 -9.671 -11.503 315 HH22 ARG 44 2HH2 ARG 44 13.582 -9.088 -13.133 316 HA PRO 45 HA PRO 45 14.858 -0.654 -7.264 317 HB2 PRO 45 1HB PRO 45 15.478 0.436 -9.656 318 HB3 PRO 45 2HB PRO 45 16.617 -0.572 -8.755 319 HG2 PRO 45 1HG PRO 45 14.886 -1.284 -11.083 320 HG3 PRO 45 2HG PRO 45 16.561 -1.751 -10.748 321 HD2 PRO 45 1HD PRO 45 14.401 -3.375 -10.286 322 HD3 PRO 45 2HD PRO 45 15.934 -3.493 -9.405 323 H VAL 46 H VAL 46 12.891 -1.447 -10.125 324 HA VAL 46 HA VAL 46 10.883 0.481 -9.234 325 HB VAL 46 HB VAL 46 10.552 1.170 -11.667 326 HG11 VAL 46 1HG1 VAL 46 11.319 2.897 -10.372 327 HG12 VAL 46 2HG1 VAL 46 12.656 2.735 -11.511 328 HG13 VAL 46 3HG1 VAL 46 12.783 2.036 -9.897 329 HG21 VAL 46 3HG2 VAL 46 13.423 0.641 -12.152 330 HG22 VAL 46 1HG2 VAL 46 12.071 0.690 -13.283 331 HG23 VAL 46 2HG2 VAL 46 12.329 -0.735 -12.277 332 HA PRO 47 HA PRO 47 8.357 -3.017 -10.390 333 HB2 PRO 47 1HB PRO 47 5.959 -2.009 -9.723 334 HB3 PRO 47 2HB PRO 47 7.150 -2.473 -8.501 335 HG2 PRO 47 1HG PRO 47 6.466 0.241 -9.551 336 HG3 PRO 47 2HG PRO 47 6.800 -0.262 -7.886 337 HD2 PRO 47 1HD PRO 47 8.634 0.967 -9.525 338 HD3 PRO 47 2HD PRO 47 9.063 -0.084 -8.161 339 H GLU 48 H GLU 48 8.612 -0.166 -12.101 340 HA GLU 48 HA GLU 48 6.331 -0.116 -13.718 341 HB2 GLU 48 1HB GLU 48 7.670 1.178 -15.300 342 HB3 GLU 48 2HB GLU 48 7.944 1.722 -13.652 343 HG2 GLU 48 1HG GLU 48 10.070 0.685 -13.565 344 HG3 GLU 48 2HG GLU 48 9.775 -0.203 -15.058 345 H ASP 49 H ASP 49 9.142 -2.182 -13.806 346 HA ASP 49 HA ASP 49 8.479 -3.233 -16.435 347 HB2 ASP 49 1HB ASP 49 10.770 -3.503 -14.549 348 HB3 ASP 49 2HB ASP 49 10.486 -4.819 -15.683 349 H GLN 50 H GLN 50 6.776 -3.641 -13.887 350 HA GLN 50 HA GLN 50 6.779 -6.579 -13.848 351 HB2 GLN 50 1HB GLN 50 5.433 -4.666 -11.929 352 HB3 GLN 50 2HB GLN 50 5.514 -6.416 -11.768 353 HG2 GLN 50 1HG GLN 50 8.098 -5.030 -12.016 354 HG3 GLN 50 2HG GLN 50 7.187 -4.709 -10.542 355 HE21 GLN 50 2HE2 GLN 50 8.178 -7.434 -12.597 356 HE22 GLN 50 1HE2 GLN 50 8.528 -8.509 -11.291 357 H SER 51 H SER 51 4.759 -7.713 -13.940 358 HA SER 51 HA SER 51 2.856 -6.434 -15.746 359 HB2 SER 51 1HB SER 51 3.800 -8.694 -16.270 360 HB3 SER 51 2HB SER 51 2.966 -9.328 -14.851 361 HG SER 51 HG SER 51 1.853 -9.512 -16.954 362 H VAL 52 H VAL 52 0.493 -7.022 -15.414 363 HA VAL 52 HA VAL 52 -1.436 -7.028 -14.196 364 HB VAL 52 HB VAL 52 0.206 -7.571 -11.714 365 HG11 VAL 52 1HG1 VAL 52 -2.480 -8.707 -11.977 366 HG12 VAL 52 2HG1 VAL 52 -2.440 -6.946 -11.943 367 HG13 VAL 52 3HG1 VAL 52 -1.728 -7.867 -10.621 368 HG21 VAL 52 3HG2 VAL 52 -1.047 -9.595 -13.573 369 HG22 VAL 52 1HG2 VAL 52 -0.172 -9.937 -12.079 370 HG23 VAL 52 2HG2 VAL 52 0.680 -9.254 -13.464 371 H GLU 53 H GLU 53 -2.632 -5.368 -13.408 372 HA GLU 53 HA GLU 53 -1.501 -2.830 -13.080 373 HB2 GLU 53 1HB GLU 53 -3.771 -2.211 -12.105 374 HB3 GLU 53 2HB GLU 53 -3.772 -2.892 -13.724 375 HG2 GLU 53 1HG GLU 53 -4.054 -4.951 -11.717 376 HG3 GLU 53 2HG GLU 53 -5.297 -3.710 -11.557 377 H VAL 54 H VAL 54 -2.359 -5.282 -10.692 378 HA VAL 54 HA VAL 54 -1.376 -3.513 -8.555 379 HB VAL 54 HB VAL 54 -2.783 -6.119 -8.038 380 HG11 VAL 54 1HG1 VAL 54 -3.587 -4.661 -6.055 381 HG12 VAL 54 2HG1 VAL 54 -2.257 -3.597 -6.513 382 HG13 VAL 54 3HG1 VAL 54 -1.932 -5.270 -6.055 383 HG21 VAL 54 3HG2 VAL 54 -4.898 -4.739 -7.841 384 HG22 VAL 54 1HG2 VAL 54 -4.339 -5.081 -9.477 385 HG23 VAL 54 2HG2 VAL 54 -4.058 -3.493 -8.761 386 H ASP 55 H ASP 55 -0.079 -4.560 -6.833 387 HA ASP 55 HA ASP 55 1.358 -6.976 -7.590 388 HB2 ASP 55 1HB ASP 55 2.615 -5.112 -8.650 389 HB3 ASP 55 2HB ASP 55 2.811 -4.369 -7.067 390 H ARG 56 H ARG 56 2.490 -7.960 -5.839 391 HA ARG 56 HA ARG 56 1.458 -7.128 -3.229 392 HB2 ARG 56 1HB ARG 56 1.128 -9.475 -3.899 393 HB3 ARG 56 2HB ARG 56 2.870 -9.685 -4.032 394 HG2 ARG 56 1HG ARG 56 3.178 -9.452 -1.700 395 HG3 ARG 56 2HG ARG 56 1.530 -8.863 -1.471 396 HD2 ARG 56 1HD ARG 56 1.940 -11.570 -2.654 397 HD3 ARG 56 2HD ARG 56 2.187 -11.354 -0.922 398 HE ARG 56 HE ARG 56 -0.301 -10.268 -1.853 399 HH11 ARG 56 1HH1 ARG 56 1.295 -13.189 -0.766 400 HH12 ARG 56 2HH1 ARG 56 -0.173 -13.944 -0.243 401 HH21 ARG 56 1HH2 ARG 56 -2.233 -11.271 -1.161 402 HH22 ARG 56 2HH2 ARG 56 -2.173 -12.856 -0.467 403 H VAL 57 H VAL 57 2.675 -6.137 -1.785 404 HA VAL 57 HA VAL 57 5.606 -6.377 -1.938 405 HB VAL 57 HB VAL 57 5.746 -3.953 -1.276 406 HG11 VAL 57 1HG1 VAL 57 6.349 -3.925 -3.426 407 HG12 VAL 57 2HG1 VAL 57 4.721 -3.334 -3.752 408 HG13 VAL 57 3HG1 VAL 57 5.076 -5.055 -3.888 409 HG21 VAL 57 3HG2 VAL 57 3.815 -3.049 -0.587 410 HG22 VAL 57 1HG2 VAL 57 2.839 -4.235 -1.450 411 HG23 VAL 57 2HG2 VAL 57 3.476 -2.832 -2.303 412 H LYS 58 H LYS 58 6.669 -5.546 0.115 413 HA LYS 58 HA LYS 58 5.045 -6.369 2.430 414 HB2 LYS 58 1HB LYS 58 7.410 -6.627 3.503 415 HB3 LYS 58 2HB LYS 58 6.809 -7.870 2.415 416 HG2 LYS 58 1HG LYS 58 8.097 -6.792 0.577 417 HG3 LYS 58 2HG LYS 58 8.790 -5.694 1.772 418 HD2 LYS 58 1HD LYS 58 10.376 -7.415 1.513 419 HD3 LYS 58 2HD LYS 58 9.541 -7.780 3.023 420 HE2 LYS 58 1HE LYS 58 8.137 -9.403 1.867 421 HE3 LYS 58 2HE LYS 58 8.929 -9.017 0.340 422 HZ1 LYS 58 3HZ LYS 58 9.725 -11.067 1.562 423 HZ2 LYS 58 1HZ LYS 58 10.443 -10.017 2.680 424 HZ3 LYS 58 2HZ LYS 58 10.919 -9.983 1.057 425 H VAL 59 H VAL 59 4.808 -5.043 4.164 426 HA VAL 59 HA VAL 59 5.907 -2.336 3.882 427 HB VAL 59 HB VAL 59 4.170 -1.691 5.579 428 HG11 VAL 59 1HG1 VAL 59 3.258 -2.895 2.971 429 HG12 VAL 59 2HG1 VAL 59 3.797 -1.240 3.253 430 HG13 VAL 59 3HG1 VAL 59 2.288 -1.807 3.964 431 HG21 VAL 59 3HG2 VAL 59 3.852 -3.989 6.499 432 HG22 VAL 59 1HG2 VAL 59 3.010 -4.417 5.010 433 HG23 VAL 59 2HG2 VAL 59 2.348 -3.173 6.069 434 H LEU 60 H LEU 60 7.069 -1.350 5.464 435 HA LEU 60 HA LEU 60 7.862 -3.025 7.761 436 HB2 LEU 60 1HB LEU 60 9.429 -1.739 5.726 437 HB3 LEU 60 2HB LEU 60 9.834 -1.057 7.288 438 HG LEU 60 HG LEU 60 9.746 -4.025 7.039 439 HD11 LEU 60 1HD1 LEU 60 11.638 -2.239 5.631 440 HD12 LEU 60 2HD1 LEU 60 11.090 -3.863 5.221 441 HD13 LEU 60 3HD1 LEU 60 12.317 -3.635 6.468 442 HD21 LEU 60 3HD2 LEU 60 11.020 -1.962 8.741 443 HD22 LEU 60 1HD2 LEU 60 11.919 -3.456 8.472 444 HD23 LEU 60 2HD2 LEU 60 10.305 -3.513 9.180 445 H ARG 61 H ARG 61 7.643 -2.175 9.758 446 HA ARG 61 HA ARG 61 6.216 0.248 10.123 447 HB2 ARG 61 1HB ARG 61 6.561 -0.127 12.534 448 HB3 ARG 61 2HB ARG 61 5.985 -1.571 11.715 449 HG2 ARG 61 1HG ARG 61 8.107 -2.603 11.839 450 HG3 ARG 61 2HG ARG 61 8.890 -1.098 12.317 451 HD2 ARG 61 1HD ARG 61 8.084 -1.197 14.470 452 HD3 ARG 61 2HD ARG 61 6.707 -2.202 14.021 453 HE ARG 61 HE ARG 61 8.880 -3.787 13.565 454 HH11 ARG 61 1HH1 ARG 61 7.668 -2.033 16.339 455 HH12 ARG 61 2HH1 ARG 61 8.329 -3.146 17.487 456 HH21 ARG 61 1HH2 ARG 61 9.750 -5.253 15.080 457 HH22 ARG 61 2HH2 ARG 61 9.513 -4.975 16.775 458 H LEU 62 H LEU 62 9.631 -0.616 10.547 459 HA LEU 62 HA LEU 62 10.381 2.167 10.251 460 HB2 LEU 62 1HB LEU 62 10.734 0.635 12.798 461 HB3 LEU 62 2HB LEU 62 11.955 1.800 12.325 462 HG LEU 62 HG LEU 62 9.701 3.301 12.061 463 HD11 LEU 62 1HD1 LEU 62 8.029 2.745 13.461 464 HD12 LEU 62 2HD1 LEU 62 9.117 2.049 14.661 465 HD13 LEU 62 3HD1 LEU 62 8.660 1.113 13.239 466 HD21 LEU 62 3HD2 LEU 62 10.326 3.923 14.567 467 HD22 LEU 62 1HD2 LEU 62 11.373 4.335 13.208 468 HD23 LEU 62 2HD2 LEU 62 11.725 2.917 14.197 469 H ILE 63 H ILE 63 12.171 2.300 9.032 470 HA ILE 63 HA ILE 63 14.274 0.327 9.220 471 HB ILE 63 HB ILE 63 12.727 -0.761 7.650 472 HG12 ILE 63 1HG1 ILE 63 14.355 -1.047 5.754 473 HG13 ILE 63 2HG1 ILE 63 15.312 0.255 6.453 474 HG21 ILE 63 1HG2 ILE 63 13.226 1.203 5.506 475 HG22 ILE 63 2HG2 ILE 63 12.078 1.679 6.756 476 HG23 ILE 63 3HG2 ILE 63 11.810 0.203 5.828 477 HD11 ILE 63 3HD1 ILE 63 15.533 -1.094 8.519 478 HD12 ILE 63 1HD1 ILE 63 16.256 -1.845 7.096 479 HD13 ILE 63 2HD1 ILE 63 14.698 -2.413 7.698 480 H LYS 64 H LYS 64 16.241 1.026 8.395 481 HA LYS 64 HA LYS 64 16.407 3.889 7.909 482 HB2 LYS 64 1HB LYS 64 18.889 3.488 8.074 483 HB3 LYS 64 2HB LYS 64 17.969 3.088 9.518 484 HG2 LYS 64 1HG LYS 64 18.366 0.859 7.645 485 HG3 LYS 64 2HG LYS 64 19.838 1.492 8.383 486 HD2 LYS 64 1HD LYS 64 19.183 0.908 10.514 487 HD3 LYS 64 2HD LYS 64 17.465 0.943 10.109 488 HE2 LYS 64 1HE LYS 64 17.604 -1.133 8.964 489 HE3 LYS 64 2HE LYS 64 19.367 -1.113 9.004 490 HZ1 LYS 64 3HZ LYS 64 19.099 -1.167 11.516 491 HZ2 LYS 64 1HZ LYS 64 18.735 -2.592 10.678 492 HZ3 LYS 64 2HZ LYS 64 17.488 -1.597 11.237 493 H GLY 65 H GLY 65 17.747 4.776 6.184 494 HA2 GLY 65 1HA GLY 65 18.560 3.174 3.968 495 HA3 GLY 65 2HA GLY 65 17.017 3.946 3.649 496 H GLY 66 H GLY 66 20.431 4.494 4.291 497 HA2 GLY 66 1HA GLY 66 20.412 6.855 2.648 498 HA3 GLY 66 2HA GLY 66 20.649 7.218 4.352 Start of MODEL 18 1 H1 MET 1 1H MET 1 -5.904 0.859 -5.539 2 H2 MET 1 2H MET 1 -5.839 2.046 -4.301 3 H3 MET 1 3H MET 1 -7.263 1.862 -5.240 4 HA MET 1 HA MET 1 -7.740 0.858 -3.248 5 HB2 MET 1 1HB MET 1 -6.868 -1.116 -5.358 6 HB3 MET 1 2HB MET 1 -7.716 -1.621 -3.905 7 HG2 MET 1 1HG MET 1 -9.009 0.574 -5.341 8 HG3 MET 1 2HG MET 1 -8.891 -0.927 -6.258 9 HE1 MET 1 3HE MET 1 -12.297 -1.031 -5.650 10 HE2 MET 1 1HE MET 1 -11.649 -2.669 -5.615 11 HE3 MET 1 2HE MET 1 -10.900 -1.448 -6.643 12 H ASN 2 H ASN 2 -7.217 -0.943 -1.682 13 HA ASN 2 HA ASN 2 -4.479 -0.620 -0.794 14 HB2 ASN 2 1HB ASN 2 -6.856 -2.008 0.459 15 HB3 ASN 2 2HB ASN 2 -5.261 -1.943 1.199 16 HD21 ASN 2 2HD2 ASN 2 -8.212 -0.333 0.715 17 HD22 ASN 2 1HD2 ASN 2 -7.806 1.146 1.510 18 H VAL 3 H VAL 3 -2.906 -2.097 -0.889 19 HA VAL 3 HA VAL 3 -3.515 -4.660 -2.181 20 HB VAL 3 HB VAL 3 -1.874 -3.248 -3.343 21 HG11 VAL 3 1HG1 VAL 3 0.407 -3.005 -2.324 22 HG12 VAL 3 2HG1 VAL 3 -0.300 -3.505 -0.790 23 HG13 VAL 3 3HG1 VAL 3 -0.856 -2.028 -1.576 24 HG21 VAL 3 3HG2 VAL 3 -0.904 -5.107 -4.074 25 HG22 VAL 3 1HG2 VAL 3 -1.651 -5.957 -2.723 26 HG23 VAL 3 2HG2 VAL 3 -0.018 -5.310 -2.563 27 H THR 4 H THR 4 -2.934 -6.603 -1.280 28 HA THR 4 HA THR 4 -2.612 -6.643 1.566 29 HB THR 4 HB THR 4 -2.318 -9.055 -0.211 30 HG1 THR 4 HG1 THR 4 -4.258 -8.770 -0.909 31 HG21 THR 4 3HG2 THR 4 -2.073 -9.681 2.019 32 HG22 THR 4 1HG2 THR 4 -3.756 -10.044 1.637 33 HG23 THR 4 2HG2 THR 4 -3.353 -8.595 2.559 34 H VAL 5 H VAL 5 -0.745 -6.292 2.517 35 HA VAL 5 HA VAL 5 1.720 -7.306 1.264 36 HB VAL 5 HB VAL 5 2.924 -5.476 2.431 37 HG11 VAL 5 1HG1 VAL 5 0.717 -4.589 0.576 38 HG12 VAL 5 2HG1 VAL 5 2.295 -5.215 0.101 39 HG13 VAL 5 3HG1 VAL 5 2.176 -3.669 0.942 40 HG21 VAL 5 3HG2 VAL 5 0.139 -4.696 3.236 41 HG22 VAL 5 1HG2 VAL 5 1.451 -3.521 3.163 42 HG23 VAL 5 2HG2 VAL 5 1.564 -4.903 4.253 43 H GLU 6 H GLU 6 3.118 -8.504 2.489 44 HA GLU 6 HA GLU 6 2.110 -9.503 5.008 45 HB2 GLU 6 1HB GLU 6 3.184 -10.988 3.311 46 HB3 GLU 6 2HB GLU 6 4.713 -10.181 3.625 47 HG2 GLU 6 1HG GLU 6 4.860 -11.053 5.791 48 HG3 GLU 6 2HG GLU 6 3.157 -11.500 5.822 49 H VAL 7 H VAL 7 2.468 -8.476 6.855 50 HA VAL 7 HA VAL 7 4.831 -6.759 7.105 51 HB VAL 7 HB VAL 7 2.674 -5.716 7.608 52 HG11 VAL 7 1HG1 VAL 7 2.469 -7.754 9.816 53 HG12 VAL 7 2HG1 VAL 7 1.441 -7.648 8.388 54 HG13 VAL 7 3HG1 VAL 7 1.399 -6.368 9.602 55 HG21 VAL 7 3HG2 VAL 7 3.495 -4.458 9.298 56 HG22 VAL 7 1HG2 VAL 7 4.953 -5.399 8.982 57 HG23 VAL 7 2HG2 VAL 7 3.878 -5.856 10.303 58 H VAL 8 H VAL 8 6.458 -7.166 8.494 59 HA VAL 8 HA VAL 8 6.814 -9.746 9.562 60 HB VAL 8 HB VAL 8 8.287 -7.262 10.458 61 HG11 VAL 8 1HG1 VAL 8 9.333 -10.075 10.275 62 HG12 VAL 8 2HG1 VAL 8 8.563 -9.443 11.731 63 HG13 VAL 8 3HG1 VAL 8 10.036 -8.694 11.117 64 HG21 VAL 8 3HG2 VAL 8 8.663 -8.972 8.012 65 HG22 VAL 8 1HG2 VAL 8 9.961 -7.982 8.684 66 HG23 VAL 8 2HG2 VAL 8 8.477 -7.221 8.109 67 H GLY 9 H GLY 9 5.957 -10.649 11.318 68 HA2 GLY 9 1HA GLY 9 5.625 -10.713 13.689 69 HA3 GLY 9 2HA GLY 9 5.401 -8.964 13.669 70 H GLU 10 H GLU 10 3.500 -8.450 11.919 71 HA GLU 10 HA GLU 10 1.138 -9.590 13.131 72 HB2 GLU 10 1HB GLU 10 1.811 -7.163 11.794 73 HB3 GLU 10 2HB GLU 10 0.484 -7.913 10.917 74 HG2 GLU 10 1HG GLU 10 0.033 -7.993 13.766 75 HG3 GLU 10 2HG GLU 10 0.316 -6.348 13.199 76 H GLU 11 H GLU 11 -0.716 -10.320 11.756 77 HA GLU 11 HA GLU 11 0.097 -12.453 10.068 78 HB2 GLU 11 1HB GLU 11 -2.595 -11.264 10.718 79 HB3 GLU 11 2HB GLU 11 -2.421 -12.582 9.568 80 HG2 GLU 11 1HG GLU 11 -1.057 -13.620 11.619 81 HG3 GLU 11 2HG GLU 11 -2.161 -12.574 12.508 82 H THR 12 H THR 12 -2.355 -10.102 9.024 83 HA THR 12 HA THR 12 -0.829 -9.699 6.540 84 HB THR 12 HB THR 12 -3.838 -9.895 6.620 85 HG1 THR 12 HG1 THR 12 -3.316 -11.919 7.153 86 HG21 THR 12 3HG2 THR 12 -3.493 -10.554 4.226 87 HG22 THR 12 1HG2 THR 12 -1.816 -10.044 4.409 88 HG23 THR 12 2HG2 THR 12 -3.120 -8.876 4.620 89 H SER 13 H SER 13 -0.698 -7.627 5.810 90 HA SER 13 HA SER 13 -2.348 -5.610 7.188 91 HB2 SER 13 1HB SER 13 -0.409 -4.025 6.848 92 HB3 SER 13 2HB SER 13 -0.114 -5.324 8.002 93 HG SER 13 HG SER 13 1.080 -6.398 6.436 94 H GLU 14 H GLU 14 -3.081 -3.845 5.972 95 HA GLU 14 HA GLU 14 -2.923 -4.218 3.050 96 HB2 GLU 14 1HB GLU 14 -5.204 -3.016 4.631 97 HB3 GLU 14 2HB GLU 14 -5.175 -3.310 2.897 98 HG2 GLU 14 1HG GLU 14 -4.676 -5.665 4.595 99 HG3 GLU 14 2HG GLU 14 -6.293 -4.970 4.701 100 H VAL 15 H VAL 15 -2.151 -2.584 1.866 101 HA VAL 15 HA VAL 15 -2.106 0.117 3.034 102 HB VAL 15 HB VAL 15 0.121 -0.867 3.326 103 HG11 VAL 15 1HG1 VAL 15 0.279 -2.470 1.599 104 HG12 VAL 15 2HG1 VAL 15 1.516 -1.259 1.260 105 HG13 VAL 15 3HG1 VAL 15 0.007 -1.258 0.347 106 HG21 VAL 15 3HG2 VAL 15 1.402 0.933 2.442 107 HG22 VAL 15 1HG2 VAL 15 -0.194 1.571 2.836 108 HG23 VAL 15 2HG2 VAL 15 0.227 1.220 1.159 109 H ALA 16 H ALA 16 -2.293 1.825 1.571 110 HA ALA 16 HA ALA 16 -3.536 1.138 -0.943 111 HB1 ALA 16 3HB ALA 16 -3.446 3.857 -0.923 112 HB2 ALA 16 1HB ALA 16 -3.428 3.490 0.803 113 HB3 ALA 16 2HB ALA 16 -4.736 2.886 -0.212 114 H VAL 17 H VAL 17 -2.741 1.479 -2.938 115 HA VAL 17 HA VAL 17 0.037 2.447 -3.148 116 HB VAL 17 HB VAL 17 0.127 1.022 -5.254 117 HG11 VAL 17 1HG1 VAL 17 -0.107 -0.224 -2.518 118 HG12 VAL 17 2HG1 VAL 17 1.353 0.355 -3.323 119 HG13 VAL 17 3HG1 VAL 17 0.522 -1.078 -3.928 120 HG21 VAL 17 3HG2 VAL 17 -2.524 0.727 -4.960 121 HG22 VAL 17 1HG2 VAL 17 -1.974 -0.725 -4.122 122 HG23 VAL 17 2HG2 VAL 17 -1.510 -0.445 -5.800 123 H ASP 18 H ASP 18 0.671 3.416 -5.202 124 HA ASP 18 HA ASP 18 -1.466 5.102 -6.265 125 HB2 ASP 18 1HB ASP 18 0.754 6.002 -5.275 126 HB3 ASP 18 2HB ASP 18 1.450 5.529 -6.818 127 H ASP 19 H ASP 19 0.657 2.534 -7.224 128 HA ASP 19 HA ASP 19 0.776 2.974 -9.990 129 HB2 ASP 19 1HB ASP 19 1.592 0.942 -8.211 130 HB3 ASP 19 2HB ASP 19 0.582 0.153 -9.418 131 H ASP 20 H ASP 20 -1.849 1.844 -8.009 132 HA ASP 20 HA ASP 20 -3.348 0.431 -9.909 133 HB2 ASP 20 1HB ASP 20 -3.626 0.890 -7.272 134 HB3 ASP 20 2HB ASP 20 -4.824 2.021 -7.883 135 H GLY 21 H GLY 21 -3.896 3.785 -8.793 136 HA2 GLY 21 1HA GLY 21 -4.460 5.650 -10.092 137 HA3 GLY 21 2HA GLY 21 -4.570 4.603 -11.504 138 H THR 22 H THR 22 -6.280 3.797 -8.560 139 HA THR 22 HA THR 22 -8.811 4.052 -9.978 140 HB THR 22 HB THR 22 -9.745 2.874 -7.970 141 HG1 THR 22 HG1 THR 22 -7.046 2.550 -7.183 142 HG21 THR 22 3HG2 THR 22 -7.781 1.751 -9.807 143 HG22 THR 22 1HG2 THR 22 -9.373 1.154 -9.333 144 HG23 THR 22 2HG2 THR 22 -7.970 0.834 -8.313 145 H TYR 23 H TYR 23 -10.730 4.683 -8.342 146 HA TYR 23 HA TYR 23 -10.550 7.449 -7.931 147 HB2 TYR 23 1HB TYR 23 -12.610 5.673 -7.979 148 HB3 TYR 23 2HB TYR 23 -12.525 6.020 -6.257 149 HD1 TYR 23 HD1 TYR 23 -12.294 8.650 -5.727 150 HD2 TYR 23 HD2 TYR 23 -14.006 6.991 -9.253 151 HE1 TYR 23 HE1 TYR 23 -13.561 10.727 -6.082 152 HE2 TYR 23 HE2 TYR 23 -15.277 9.065 -9.618 153 HH TYR 23 HH TYR 23 -16.065 11.114 -7.651 154 H ALA 24 H ALA 24 -10.143 4.751 -5.675 155 HA ALA 24 HA ALA 24 -9.924 6.304 -3.320 156 HB1 ALA 24 3HB ALA 24 -10.273 4.119 -2.770 157 HB2 ALA 24 1HB ALA 24 -8.516 4.165 -2.622 158 HB3 ALA 24 2HB ALA 24 -9.261 3.509 -4.080 159 H ASP 25 H ASP 25 -7.605 5.294 -5.769 160 HA ASP 25 HA ASP 25 -5.233 5.937 -4.436 161 HB2 ASP 25 1HB ASP 25 -5.239 4.653 -6.514 162 HB3 ASP 25 2HB ASP 25 -5.843 6.050 -7.401 163 H LEU 26 H LEU 26 -7.457 7.977 -6.303 164 HA LEU 26 HA LEU 26 -5.870 10.249 -6.562 165 HB2 LEU 26 1HB LEU 26 -8.226 9.759 -7.496 166 HB3 LEU 26 2HB LEU 26 -8.816 10.406 -5.978 167 HG LEU 26 HG LEU 26 -7.119 12.390 -6.768 168 HD11 LEU 26 1HD1 LEU 26 -6.548 11.863 -8.899 169 HD12 LEU 26 2HD1 LEU 26 -8.082 12.664 -9.236 170 HD13 LEU 26 3HD1 LEU 26 -8.003 10.904 -9.174 171 HD21 LEU 26 3HD2 LEU 26 -9.379 12.681 -5.925 172 HD22 LEU 26 1HD2 LEU 26 -10.042 12.076 -7.444 173 HD23 LEU 26 2HD2 LEU 26 -9.154 13.600 -7.413 174 H VAL 27 H VAL 27 -7.871 9.185 -3.848 175 HA VAL 27 HA VAL 27 -7.465 11.524 -2.267 176 HB VAL 27 HB VAL 27 -8.233 8.764 -1.298 177 HG11 VAL 27 1HG1 VAL 27 -7.556 10.889 0.213 178 HG12 VAL 27 2HG1 VAL 27 -8.732 9.671 0.704 179 HG13 VAL 27 3HG1 VAL 27 -9.279 11.192 0.000 180 HG21 VAL 27 3HG2 VAL 27 -10.354 10.757 -1.670 181 HG22 VAL 27 1HG2 VAL 27 -10.341 9.032 -2.031 182 HG23 VAL 27 2HG2 VAL 27 -9.625 10.174 -3.165 183 H ARG 28 H ARG 28 -6.066 8.241 -2.153 184 HA ARG 28 HA ARG 28 -4.289 8.734 -0.027 185 HB2 ARG 28 1HB ARG 28 -4.201 6.683 -2.241 186 HB3 ARG 28 2HB ARG 28 -3.080 6.697 -0.887 187 HG2 ARG 28 1HG ARG 28 -6.069 6.515 -0.572 188 HG3 ARG 28 2HG ARG 28 -5.001 5.115 -0.663 189 HD2 ARG 28 1HD ARG 28 -4.228 5.404 1.435 190 HD3 ARG 28 2HD ARG 28 -4.200 7.159 1.291 191 HE ARG 28 HE ARG 28 -6.304 7.252 2.194 192 HH11 ARG 28 1HH1 ARG 28 -5.581 3.923 1.365 193 HH12 ARG 28 2HH1 ARG 28 -6.982 3.291 2.160 194 HH21 ARG 28 1HH2 ARG 28 -8.150 6.409 3.238 195 HH22 ARG 28 2HH2 ARG 28 -8.442 4.702 3.222 196 H ALA 29 H ALA 29 -3.952 9.194 -3.507 197 HA ALA 29 HA ALA 29 -1.206 9.542 -3.728 198 HB1 ALA 29 3HB ALA 29 -2.704 9.417 -5.652 199 HB2 ALA 29 1HB ALA 29 -1.667 10.842 -5.736 200 HB3 ALA 29 2HB ALA 29 -3.356 11.008 -5.254 201 H VAL 30 H VAL 30 -3.556 11.673 -2.283 202 HA VAL 30 HA VAL 30 -1.807 13.988 -2.329 203 HB VAL 30 HB VAL 30 -4.374 13.701 -0.768 204 HG11 VAL 30 1HG1 VAL 30 -2.625 15.957 -1.581 205 HG12 VAL 30 2HG1 VAL 30 -3.521 15.698 -0.086 206 HG13 VAL 30 3HG1 VAL 30 -4.366 16.235 -1.536 207 HG21 VAL 30 3HG2 VAL 30 -5.187 15.006 -2.963 208 HG22 VAL 30 1HG2 VAL 30 -5.302 13.256 -2.785 209 HG23 VAL 30 2HG2 VAL 30 -3.960 13.963 -3.683 210 H ASP 31 H ASP 31 -1.097 11.412 -0.845 211 HA ASP 31 HA ASP 31 0.008 10.803 1.025 212 HB2 ASP 31 1HB ASP 31 0.237 13.777 1.130 213 HB3 ASP 31 2HB ASP 31 0.685 12.861 2.565 214 H LEU 32 H LEU 32 -2.645 10.425 1.138 215 HA LEU 32 HA LEU 32 -3.394 11.215 3.880 216 HB2 LEU 32 1HB LEU 32 -4.977 10.925 1.374 217 HB3 LEU 32 2HB LEU 32 -5.750 10.459 2.875 218 HG LEU 32 HG LEU 32 -5.270 12.738 3.773 219 HD11 LEU 32 1HD1 LEU 32 -3.560 13.713 2.636 220 HD12 LEU 32 2HD1 LEU 32 -4.912 14.397 1.733 221 HD13 LEU 32 3HD1 LEU 32 -4.034 13.009 1.091 222 HD21 LEU 32 3HD2 LEU 32 -7.225 13.543 2.956 223 HD22 LEU 32 1HD2 LEU 32 -7.354 11.898 2.333 224 HD23 LEU 32 2HD2 LEU 32 -6.798 13.200 1.280 225 H SER 33 H SER 33 -1.694 8.989 3.347 226 HA SER 33 HA SER 33 -3.364 6.621 3.516 227 HB2 SER 33 1HB SER 33 -0.483 7.162 3.094 228 HB3 SER 33 2HB SER 33 -0.867 5.673 3.960 229 HG SER 33 HG SER 33 -1.458 6.414 1.327 230 HA PRO 34 HA PRO 34 -3.440 6.946 7.977 231 HB2 PRO 34 1HB PRO 34 -4.979 4.777 8.441 232 HB3 PRO 34 2HB PRO 34 -5.638 6.289 7.804 233 HG2 PRO 34 1HG PRO 34 -4.914 3.776 6.349 234 HG3 PRO 34 2HG PRO 34 -6.332 4.820 6.142 235 HD2 PRO 34 1HD PRO 34 -4.155 4.900 4.500 236 HD3 PRO 34 2HD PRO 34 -5.198 6.303 4.808 237 H HIS 35 H HIS 35 -2.488 4.034 6.223 238 HA HIS 35 HA HIS 35 -1.372 2.742 8.533 239 HB2 HIS 35 1HB HIS 35 -0.901 2.092 5.615 240 HB3 HIS 35 2HB HIS 35 -0.590 1.040 6.993 241 HD1 HIS 35 HD1 HIS 35 -2.580 -0.229 7.985 242 HD2 HIS 35 HD2 HIS 35 -3.630 2.354 4.905 243 HE1 HIS 35 HE1 HIS 35 -4.958 -0.806 7.405 244 HE2 HIS 35 HE2 HIS 35 -5.541 0.708 5.480 245 H GLU 36 H GLU 36 -0.078 4.550 5.769 246 HA GLU 36 HA GLU 36 1.998 5.341 5.279 247 HB2 GLU 36 1HB GLU 36 1.081 6.446 7.637 248 HB3 GLU 36 2HB GLU 36 2.711 5.941 8.054 249 HG2 GLU 36 1HG GLU 36 2.798 8.200 7.317 250 HG3 GLU 36 2HG GLU 36 3.544 7.196 6.076 251 H VAL 37 H VAL 37 2.600 3.037 4.842 252 HA VAL 37 HA VAL 37 4.855 2.242 6.573 253 HB VAL 37 HB VAL 37 4.355 -0.139 5.838 254 HG11 VAL 37 1HG1 VAL 37 2.878 1.485 7.808 255 HG12 VAL 37 2HG1 VAL 37 3.870 0.044 8.034 256 HG13 VAL 37 3HG1 VAL 37 2.211 -0.110 7.456 257 HG21 VAL 37 3HG2 VAL 37 2.151 -0.693 5.091 258 HG22 VAL 37 1HG2 VAL 37 2.793 0.539 4.004 259 HG23 VAL 37 2HG2 VAL 37 1.620 0.982 5.243 260 H THR 38 H THR 38 6.594 1.115 5.512 261 HA THR 38 HA THR 38 7.050 2.096 2.819 262 HB THR 38 HB THR 38 8.875 2.319 4.399 263 HG1 THR 38 HG1 THR 38 9.480 1.884 2.256 264 HG21 THR 38 3HG2 THR 38 8.467 -0.587 4.862 265 HG22 THR 38 1HG2 THR 38 8.831 0.704 6.006 266 HG23 THR 38 2HG2 THR 38 10.099 0.071 4.959 267 H VAL 39 H VAL 39 7.206 0.881 0.981 268 HA VAL 39 HA VAL 39 6.450 -1.955 1.237 269 HB VAL 39 HB VAL 39 5.595 -1.789 -1.081 270 HG11 VAL 39 1HG1 VAL 39 4.176 0.407 0.295 271 HG12 VAL 39 2HG1 VAL 39 4.356 -1.099 1.195 272 HG13 VAL 39 3HG1 VAL 39 3.557 -1.103 -0.377 273 HG21 VAL 39 3HG2 VAL 39 5.258 0.994 -1.369 274 HG22 VAL 39 1HG2 VAL 39 6.204 -0.095 -2.384 275 HG23 VAL 39 2HG2 VAL 39 6.966 0.724 -1.023 276 H LEU 40 H LEU 40 7.793 -3.491 0.525 277 HA LEU 40 HA LEU 40 10.180 -2.664 -0.988 278 HB2 LEU 40 1HB LEU 40 9.701 -4.692 1.137 279 HB3 LEU 40 2HB LEU 40 10.908 -5.055 -0.084 280 HG LEU 40 HG LEU 40 11.863 -4.080 1.970 281 HD11 LEU 40 1HD1 LEU 40 12.614 -3.622 -0.558 282 HD12 LEU 40 2HD1 LEU 40 13.480 -2.979 0.837 283 HD13 LEU 40 3HD1 LEU 40 12.334 -1.961 -0.035 284 HD21 LEU 40 3HD2 LEU 40 10.367 -1.583 1.180 285 HD22 LEU 40 1HD2 LEU 40 11.505 -1.748 2.518 286 HD23 LEU 40 2HD2 LEU 40 9.971 -2.618 2.552 287 H VAL 41 H VAL 41 10.750 -3.727 -2.849 288 HA VAL 41 HA VAL 41 8.907 -5.806 -3.820 289 HB VAL 41 HB VAL 41 10.515 -3.899 -5.531 290 HG11 VAL 41 1HG1 VAL 41 8.191 -5.677 -6.254 291 HG12 VAL 41 2HG1 VAL 41 9.887 -6.058 -6.555 292 HG13 VAL 41 3HG1 VAL 41 9.140 -4.672 -7.349 293 HG21 VAL 41 3HG2 VAL 41 8.791 -2.727 -4.155 294 HG22 VAL 41 1HG2 VAL 41 7.565 -3.720 -4.942 295 HG23 VAL 41 2HG2 VAL 41 8.539 -2.602 -5.896 296 H ASP 42 H ASP 42 9.823 -7.698 -4.497 297 HA ASP 42 HA ASP 42 12.310 -8.520 -3.681 298 HB2 ASP 42 1HB ASP 42 10.619 -10.082 -4.437 299 HB3 ASP 42 2HB ASP 42 10.706 -9.443 -6.070 300 H GLY 43 H GLY 43 14.295 -7.941 -4.222 301 HA2 GLY 43 1HA GLY 43 15.200 -6.020 -5.797 302 HA3 GLY 43 2HA GLY 43 16.132 -7.484 -5.572 303 H ARG 44 H ARG 44 13.713 -5.944 -7.652 304 HA ARG 44 HA ARG 44 14.874 -7.379 -9.949 305 HB2 ARG 44 1HB ARG 44 12.665 -7.653 -10.933 306 HB3 ARG 44 2HB ARG 44 12.711 -8.417 -9.351 307 HG2 ARG 44 1HG ARG 44 11.172 -7.023 -8.488 308 HG3 ARG 44 2HG ARG 44 11.790 -5.625 -9.368 309 HD2 ARG 44 1HD ARG 44 10.016 -5.804 -10.694 310 HD3 ARG 44 2HD ARG 44 10.747 -7.268 -11.346 311 HE ARG 44 HE ARG 44 9.454 -8.185 -9.168 312 HH11 ARG 44 1HH1 ARG 44 8.407 -6.182 -11.849 313 HH12 ARG 44 2HH1 ARG 44 6.763 -6.717 -11.763 314 HH21 ARG 44 1HH2 ARG 44 7.286 -8.886 -9.070 315 HH22 ARG 44 2HH2 ARG 44 6.127 -8.249 -10.188 316 HA PRO 45 HA PRO 45 15.184 -3.468 -11.987 317 HB2 PRO 45 1HB PRO 45 14.322 -4.061 -14.527 318 HB3 PRO 45 2HB PRO 45 15.932 -4.453 -13.914 319 HG2 PRO 45 1HG PRO 45 13.516 -6.200 -14.152 320 HG3 PRO 45 2HG PRO 45 15.212 -6.580 -14.500 321 HD2 PRO 45 1HD PRO 45 14.017 -7.383 -12.228 322 HD3 PRO 45 2HD PRO 45 15.729 -6.908 -12.268 323 H VAL 46 H VAL 46 13.952 -1.690 -12.756 324 HA VAL 46 HA VAL 46 11.035 -2.059 -12.530 325 HB VAL 46 HB VAL 46 12.529 0.500 -11.943 326 HG11 VAL 46 1HG1 VAL 46 9.872 -0.056 -10.788 327 HG12 VAL 46 2HG1 VAL 46 9.920 0.208 -12.532 328 HG13 VAL 46 3HG1 VAL 46 10.541 1.441 -11.437 329 HG21 VAL 46 3HG2 VAL 46 13.234 -0.501 -10.068 330 HG22 VAL 46 1HG2 VAL 46 12.150 -1.876 -10.287 331 HG23 VAL 46 2HG2 VAL 46 11.555 -0.393 -9.537 332 HA PRO 47 HA PRO 47 11.854 -0.790 -16.914 333 HB2 PRO 47 1HB PRO 47 9.299 -2.233 -17.281 334 HB3 PRO 47 2HB PRO 47 10.829 -2.421 -18.143 335 HG2 PRO 47 1HG PRO 47 9.967 -4.263 -16.400 336 HG3 PRO 47 2HG PRO 47 11.689 -3.876 -16.570 337 HD2 PRO 47 1HD PRO 47 9.750 -3.019 -14.455 338 HD3 PRO 47 2HD PRO 47 11.450 -3.508 -14.298 339 H GLU 48 H GLU 48 11.385 1.368 -16.866 340 HA GLU 48 HA GLU 48 8.991 2.491 -15.878 341 HB2 GLU 48 1HB GLU 48 10.842 3.751 -17.902 342 HB3 GLU 48 2HB GLU 48 9.754 4.577 -16.791 343 HG2 GLU 48 1HG GLU 48 11.239 3.201 -15.031 344 HG3 GLU 48 2HG GLU 48 12.416 3.403 -16.326 345 H ASP 49 H ASP 49 9.738 1.052 -18.930 346 HA ASP 49 HA ASP 49 7.656 2.350 -20.421 347 HB2 ASP 49 1HB ASP 49 9.875 1.063 -21.190 348 HB3 ASP 49 2HB ASP 49 8.738 -0.274 -21.318 349 H GLN 50 H GLN 50 7.735 -0.295 -18.206 350 HA GLN 50 HA GLN 50 4.989 -1.017 -18.988 351 HB2 GLN 50 1HB GLN 50 7.340 -2.771 -18.470 352 HB3 GLN 50 2HB GLN 50 5.766 -3.332 -17.922 353 HG2 GLN 50 1HG GLN 50 5.836 -2.330 -20.681 354 HG3 GLN 50 2HG GLN 50 6.794 -3.780 -20.381 355 HE21 GLN 50 2HE2 GLN 50 3.615 -2.514 -19.396 356 HE22 GLN 50 1HE2 GLN 50 2.747 -3.969 -19.730 357 H SER 51 H SER 51 3.617 -1.785 -17.274 358 HA SER 51 HA SER 51 4.424 -1.833 -14.561 359 HB2 SER 51 1HB SER 51 3.541 0.756 -15.650 360 HB3 SER 51 2HB SER 51 2.690 0.257 -14.188 361 HG SER 51 HG SER 51 4.472 1.296 -13.468 362 H VAL 52 H VAL 52 2.641 -2.234 -13.083 363 HA VAL 52 HA VAL 52 0.234 -3.230 -14.472 364 HB VAL 52 HB VAL 52 0.001 -4.838 -12.552 365 HG11 VAL 52 1HG1 VAL 52 0.855 -5.543 -14.722 366 HG12 VAL 52 2HG1 VAL 52 1.647 -6.422 -13.414 367 HG13 VAL 52 3HG1 VAL 52 2.492 -5.106 -14.231 368 HG21 VAL 52 3HG2 VAL 52 1.534 -5.056 -10.899 369 HG22 VAL 52 1HG2 VAL 52 1.826 -3.355 -11.262 370 HG23 VAL 52 2HG2 VAL 52 2.883 -4.595 -11.935 371 H GLU 53 H GLU 53 -1.649 -3.516 -12.773 372 HA GLU 53 HA GLU 53 -2.207 -0.888 -11.791 373 HB2 GLU 53 1HB GLU 53 -4.372 -1.778 -11.108 374 HB3 GLU 53 2HB GLU 53 -3.987 -2.279 -12.748 375 HG2 GLU 53 1HG GLU 53 -3.225 -4.473 -11.802 376 HG3 GLU 53 2HG GLU 53 -3.874 -3.948 -10.249 377 H VAL 54 H VAL 54 -1.626 -4.037 -10.229 378 HA VAL 54 HA VAL 54 -0.791 -2.597 -7.822 379 HB VAL 54 HB VAL 54 -2.004 -4.108 -6.339 380 HG11 VAL 54 1HG1 VAL 54 -3.844 -2.817 -8.351 381 HG12 VAL 54 2HG1 VAL 54 -3.069 -2.003 -6.992 382 HG13 VAL 54 3HG1 VAL 54 -4.262 -3.269 -6.698 383 HG21 VAL 54 3HG2 VAL 54 -3.039 -5.299 -8.901 384 HG22 VAL 54 1HG2 VAL 54 -3.827 -5.544 -7.343 385 HG23 VAL 54 2HG2 VAL 54 -2.174 -6.108 -7.593 386 H ASP 55 H ASP 55 0.422 -3.979 -6.309 387 HA ASP 55 HA ASP 55 1.499 -6.457 -7.384 388 HB2 ASP 55 1HB ASP 55 2.862 -4.159 -7.958 389 HB3 ASP 55 2HB ASP 55 3.616 -4.627 -6.437 390 H ARG 56 H ARG 56 2.738 -7.667 -5.778 391 HA ARG 56 HA ARG 56 1.772 -7.085 -3.075 392 HB2 ARG 56 1HB ARG 56 1.643 -9.392 -4.325 393 HB3 ARG 56 2HB ARG 56 3.314 -9.557 -3.802 394 HG2 ARG 56 1HG ARG 56 2.706 -9.481 -1.516 395 HG3 ARG 56 2HG ARG 56 1.067 -8.952 -1.899 396 HD2 ARG 56 1HD ARG 56 1.282 -11.301 -3.304 397 HD3 ARG 56 2HD ARG 56 2.214 -11.642 -1.848 398 HE ARG 56 HE ARG 56 0.273 -11.638 -0.636 399 HH11 ARG 56 1HH1 ARG 56 -0.367 -10.166 -3.750 400 HH12 ARG 56 2HH1 ARG 56 -2.083 -10.148 -3.528 401 HH21 ARG 56 1HH2 ARG 56 -1.991 -11.616 -0.350 402 HH22 ARG 56 2HH2 ARG 56 -3.006 -10.972 -1.596 403 H VAL 57 H VAL 57 3.046 -6.239 -1.578 404 HA VAL 57 HA VAL 57 5.968 -6.505 -1.823 405 HB VAL 57 HB VAL 57 6.153 -4.128 -0.994 406 HG11 VAL 57 1HG1 VAL 57 4.794 -3.913 -3.606 407 HG12 VAL 57 2HG1 VAL 57 6.111 -5.082 -3.507 408 HG13 VAL 57 3HG1 VAL 57 6.404 -3.387 -3.113 409 HG21 VAL 57 3HG2 VAL 57 4.065 -2.745 -1.732 410 HG22 VAL 57 1HG2 VAL 57 4.100 -3.510 -0.143 411 HG23 VAL 57 2HG2 VAL 57 3.206 -4.260 -1.463 412 H LYS 58 H LYS 58 7.104 -5.826 0.242 413 HA LYS 58 HA LYS 58 5.603 -6.882 2.545 414 HB2 LYS 58 1HB LYS 58 8.542 -6.436 2.716 415 HB3 LYS 58 2HB LYS 58 7.561 -7.719 3.406 416 HG2 LYS 58 1HG LYS 58 7.395 -8.132 0.665 417 HG3 LYS 58 2HG LYS 58 9.072 -7.655 0.943 418 HD2 LYS 58 1HD LYS 58 8.947 -10.038 1.134 419 HD3 LYS 58 2HD LYS 58 9.181 -9.379 2.752 420 HE2 LYS 58 1HE LYS 58 7.532 -11.074 2.938 421 HE3 LYS 58 2HE LYS 58 6.688 -9.533 3.064 422 HZ1 LYS 58 3HZ LYS 58 5.350 -10.470 1.542 423 HZ2 LYS 58 1HZ LYS 58 6.511 -11.581 1.019 424 HZ3 LYS 58 2HZ LYS 58 6.536 -9.994 0.434 425 H VAL 59 H VAL 59 5.413 -5.737 4.454 426 HA VAL 59 HA VAL 59 6.385 -2.954 4.372 427 HB VAL 59 HB VAL 59 4.469 -2.385 5.878 428 HG11 VAL 59 1HG1 VAL 59 4.406 -1.874 3.501 429 HG12 VAL 59 2HG1 VAL 59 2.802 -2.313 4.091 430 HG13 VAL 59 3HG1 VAL 59 3.749 -3.476 3.161 431 HG21 VAL 59 3HG2 VAL 59 2.574 -3.889 6.024 432 HG22 VAL 59 1HG2 VAL 59 4.012 -4.663 6.688 433 HG23 VAL 59 2HG2 VAL 59 3.436 -5.106 5.082 434 H LEU 60 H LEU 60 7.352 -2.080 6.162 435 HA LEU 60 HA LEU 60 7.899 -3.961 8.364 436 HB2 LEU 60 1HB LEU 60 9.641 -2.306 6.743 437 HB3 LEU 60 2HB LEU 60 9.841 -1.959 8.449 438 HG LEU 60 HG LEU 60 10.109 -4.686 7.178 439 HD11 LEU 60 1HD1 LEU 60 12.391 -4.446 7.226 440 HD12 LEU 60 2HD1 LEU 60 12.343 -3.188 8.462 441 HD13 LEU 60 3HD1 LEU 60 11.888 -2.809 6.801 442 HD21 LEU 60 3HD2 LEU 60 10.369 -5.596 9.227 443 HD22 LEU 60 1HD2 LEU 60 9.370 -4.232 9.726 444 HD23 LEU 60 2HD2 LEU 60 11.123 -4.149 9.897 445 H ARG 61 H ARG 61 7.313 -3.404 10.360 446 HA ARG 61 HA ARG 61 6.166 -0.750 10.784 447 HB2 ARG 61 1HB ARG 61 5.451 -3.337 11.631 448 HB3 ARG 61 2HB ARG 61 5.974 -2.487 13.079 449 HG2 ARG 61 1HG ARG 61 4.398 -0.603 12.017 450 HG3 ARG 61 2HG ARG 61 3.620 -2.039 11.352 451 HD2 ARG 61 1HD ARG 61 3.067 -2.867 13.444 452 HD3 ARG 61 2HD ARG 61 4.308 -1.919 14.261 453 HE ARG 61 HE ARG 61 2.621 -0.036 13.277 454 HH11 ARG 61 1HH1 ARG 61 2.145 -2.870 15.281 455 HH12 ARG 61 2HH1 ARG 61 0.780 -2.205 16.111 456 HH21 ARG 61 1HH2 ARG 61 0.823 0.837 14.383 457 HH22 ARG 61 2HH2 ARG 61 0.029 -0.103 15.602 458 H LEU 62 H LEU 62 8.778 -2.817 11.947 459 HA LEU 62 HA LEU 62 9.974 -0.491 13.256 460 HB2 LEU 62 1HB LEU 62 8.716 -2.493 14.717 461 HB3 LEU 62 2HB LEU 62 10.415 -2.922 14.794 462 HG LEU 62 HG LEU 62 9.519 -0.135 15.455 463 HD11 LEU 62 1HD1 LEU 62 8.401 -2.192 16.766 464 HD12 LEU 62 2HD1 LEU 62 8.810 -0.656 17.531 465 HD13 LEU 62 3HD1 LEU 62 9.901 -2.035 17.680 466 HD21 LEU 62 3HD2 LEU 62 11.543 -0.249 16.897 467 HD22 LEU 62 1HD2 LEU 62 11.886 -0.430 15.177 468 HD23 LEU 62 2HD2 LEU 62 11.880 -1.846 16.228 469 H ILE 63 H ILE 63 12.178 -0.395 13.100 470 HA ILE 63 HA ILE 63 13.487 -2.612 11.665 471 HB ILE 63 HB ILE 63 15.161 -0.941 10.909 472 HG12 ILE 63 1HG1 ILE 63 13.387 1.341 11.519 473 HG13 ILE 63 2HG1 ILE 63 14.217 0.653 12.910 474 HG21 ILE 63 1HG2 ILE 63 12.792 -1.526 9.813 475 HG22 ILE 63 2HG2 ILE 63 13.953 -0.425 9.070 476 HG23 ILE 63 3HG2 ILE 63 12.600 0.217 10.001 477 HD11 ILE 63 3HD1 ILE 63 16.348 0.882 11.538 478 HD12 ILE 63 1HD1 ILE 63 15.610 2.363 12.148 479 HD13 ILE 63 2HD1 ILE 63 15.399 1.903 10.459 480 H LYS 64 H LYS 64 15.681 -3.147 12.213 481 HA LYS 64 HA LYS 64 16.156 -3.131 15.039 482 HB2 LYS 64 1HB LYS 64 16.725 -5.052 13.553 483 HB3 LYS 64 2HB LYS 64 17.988 -4.073 12.822 484 HG2 LYS 64 1HG LYS 64 18.671 -3.860 15.422 485 HG3 LYS 64 2HG LYS 64 17.927 -5.460 15.418 486 HD2 LYS 64 1HD LYS 64 19.399 -6.075 13.507 487 HD3 LYS 64 2HD LYS 64 20.202 -4.514 13.676 488 HE2 LYS 64 1HE LYS 64 19.991 -6.149 16.129 489 HE3 LYS 64 2HE LYS 64 21.053 -6.774 14.869 490 HZ1 LYS 64 3HZ LYS 64 22.037 -5.208 16.612 491 HZ2 LYS 64 1HZ LYS 64 21.259 -3.967 15.765 492 HZ3 LYS 64 2HZ LYS 64 22.420 -4.920 14.990 493 H GLY 65 H GLY 65 16.926 -1.397 16.062 494 HA2 GLY 65 1HA GLY 65 19.407 -0.335 15.889 495 HA3 GLY 65 2HA GLY 65 18.515 0.589 14.690 496 H GLY 66 H GLY 66 18.744 2.533 15.822 497 HA2 GLY 66 1HA GLY 66 16.977 3.801 17.142 498 HA3 GLY 66 2HA GLY 66 17.360 2.667 18.427 Start of MODEL 19 1 H1 MET 1 1H MET 1 -5.638 0.396 -5.814 2 H2 MET 1 2H MET 1 -6.313 1.801 -5.099 3 H3 MET 1 3H MET 1 -7.248 0.850 -6.177 4 HA MET 1 HA MET 1 -7.698 0.614 -3.740 5 HB2 MET 1 1HB MET 1 -8.092 -1.002 -5.828 6 HB3 MET 1 2HB MET 1 -6.963 -2.019 -4.943 7 HG2 MET 1 1HG MET 1 -8.426 -2.396 -3.228 8 HG3 MET 1 2HG MET 1 -9.291 -0.882 -3.483 9 HE1 MET 1 3HE MET 1 -11.356 -0.730 -4.181 10 HE2 MET 1 1HE MET 1 -11.920 -2.226 -3.439 11 HE3 MET 1 2HE MET 1 -12.342 -1.859 -5.112 12 H ASN 2 H ASN 2 -7.118 -0.940 -1.956 13 HA ASN 2 HA ASN 2 -4.299 -0.648 -1.354 14 HB2 ASN 2 1HB ASN 2 -4.967 -1.600 0.884 15 HB3 ASN 2 2HB ASN 2 -5.784 -0.106 0.445 16 HD21 ASN 2 2HD2 ASN 2 -6.136 -3.572 0.789 17 HD22 ASN 2 1HD2 ASN 2 -7.862 -3.578 0.863 18 H VAL 3 H VAL 3 -2.812 -2.223 -1.252 19 HA VAL 3 HA VAL 3 -3.618 -4.896 -2.167 20 HB VAL 3 HB VAL 3 -0.795 -3.836 -2.038 21 HG11 VAL 3 1HG1 VAL 3 -2.007 -6.345 -2.754 22 HG12 VAL 3 2HG1 VAL 3 -0.299 -5.926 -2.605 23 HG13 VAL 3 3HG1 VAL 3 -1.143 -5.663 -4.132 24 HG21 VAL 3 3HG2 VAL 3 -1.424 -3.776 -4.684 25 HG22 VAL 3 1HG2 VAL 3 -1.425 -2.370 -3.620 26 HG23 VAL 3 2HG2 VAL 3 -2.933 -3.221 -3.957 27 H THR 4 H THR 4 -3.149 -6.721 -1.008 28 HA THR 4 HA THR 4 -2.730 -6.393 1.804 29 HB THR 4 HB THR 4 -2.583 -9.072 0.479 30 HG1 THR 4 HG1 THR 4 -4.937 -7.505 0.710 31 HG21 THR 4 3HG2 THR 4 -4.502 -8.952 2.540 32 HG22 THR 4 1HG2 THR 4 -3.057 -8.121 3.111 33 HG23 THR 4 2HG2 THR 4 -2.948 -9.783 2.534 34 H VAL 5 H VAL 5 -0.847 -6.196 2.766 35 HA VAL 5 HA VAL 5 1.533 -7.402 1.509 36 HB VAL 5 HB VAL 5 2.846 -5.622 2.685 37 HG11 VAL 5 1HG1 VAL 5 2.664 -4.171 0.928 38 HG12 VAL 5 2HG1 VAL 5 0.901 -4.203 0.939 39 HG13 VAL 5 3HG1 VAL 5 1.804 -5.559 0.262 40 HG21 VAL 5 3HG2 VAL 5 1.096 -5.095 4.380 41 HG22 VAL 5 1HG2 VAL 5 0.168 -4.303 3.107 42 HG23 VAL 5 2HG2 VAL 5 1.751 -3.678 3.564 43 H GLU 6 H GLU 6 2.843 -8.667 2.728 44 HA GLU 6 HA GLU 6 1.823 -9.570 5.272 45 HB2 GLU 6 1HB GLU 6 4.138 -10.399 3.534 46 HB3 GLU 6 2HB GLU 6 3.915 -11.062 5.147 47 HG2 GLU 6 1HG GLU 6 2.025 -12.229 4.557 48 HG3 GLU 6 2HG GLU 6 1.656 -11.161 3.204 49 H VAL 7 H VAL 7 2.264 -8.546 7.091 50 HA VAL 7 HA VAL 7 4.606 -6.841 7.325 51 HB VAL 7 HB VAL 7 2.523 -7.366 9.450 52 HG11 VAL 7 1HG1 VAL 7 4.811 -5.530 9.142 53 HG12 VAL 7 2HG1 VAL 7 4.079 -6.202 10.599 54 HG13 VAL 7 3HG1 VAL 7 3.334 -4.821 9.796 55 HG21 VAL 7 3HG2 VAL 7 1.044 -6.404 8.079 56 HG22 VAL 7 1HG2 VAL 7 2.295 -5.889 6.948 57 HG23 VAL 7 2HG2 VAL 7 1.929 -4.907 8.367 58 H VAL 8 H VAL 8 6.386 -7.276 8.499 59 HA VAL 8 HA VAL 8 7.060 -9.900 9.183 60 HB VAL 8 HB VAL 8 8.313 -7.426 10.394 61 HG11 VAL 8 1HG1 VAL 8 10.343 -9.135 10.029 62 HG12 VAL 8 2HG1 VAL 8 9.034 -10.294 10.267 63 HG13 VAL 8 3HG1 VAL 8 9.381 -9.088 11.507 64 HG21 VAL 8 3HG2 VAL 8 9.953 -7.727 8.450 65 HG22 VAL 8 1HG2 VAL 8 8.388 -6.997 8.091 66 HG23 VAL 8 2HG2 VAL 8 8.684 -8.690 7.693 67 H GLY 9 H GLY 9 6.410 -11.150 10.796 68 HA2 GLY 9 1HA GLY 9 6.334 -11.497 13.214 69 HA3 GLY 9 2HA GLY 9 5.636 -9.884 13.355 70 H GLU 10 H GLU 10 3.519 -9.856 13.716 71 HA GLU 10 HA GLU 10 1.889 -12.070 12.655 72 HB2 GLU 10 1HB GLU 10 2.011 -10.853 15.353 73 HB3 GLU 10 2HB GLU 10 0.402 -11.208 14.742 74 HG2 GLU 10 1HG GLU 10 0.643 -13.395 15.048 75 HG3 GLU 10 2HG GLU 10 2.257 -13.405 14.339 76 H GLU 11 H GLU 11 -0.375 -11.547 12.251 77 HA GLU 11 HA GLU 11 -2.075 -10.329 11.369 78 HB2 GLU 11 1HB GLU 11 -0.614 -7.959 12.544 79 HB3 GLU 11 2HB GLU 11 -2.229 -7.910 11.860 80 HG2 GLU 11 1HG GLU 11 -2.928 -8.232 13.945 81 HG3 GLU 11 2HG GLU 11 -2.468 -9.914 13.691 82 H THR 12 H THR 12 -2.613 -9.328 9.449 83 HA THR 12 HA THR 12 -0.346 -8.453 7.778 84 HB THR 12 HB THR 12 -1.298 -10.655 7.101 85 HG1 THR 12 HG1 THR 12 -1.681 -8.528 5.263 86 HG21 THR 12 3HG2 THR 12 -3.656 -10.229 7.698 87 HG22 THR 12 1HG2 THR 12 -3.441 -10.827 6.053 88 HG23 THR 12 2HG2 THR 12 -3.764 -9.116 6.334 89 H SER 13 H SER 13 -0.522 -6.554 6.738 90 HA SER 13 HA SER 13 -3.076 -5.097 6.984 91 HB2 SER 13 1HB SER 13 -0.279 -4.285 7.558 92 HB3 SER 13 2HB SER 13 -1.291 -3.084 6.756 93 HG SER 13 HG SER 13 -2.027 -4.468 9.125 94 H GLU 14 H GLU 14 -3.384 -3.369 5.336 95 HA GLU 14 HA GLU 14 -2.273 -4.215 2.741 96 HB2 GLU 14 1HB GLU 14 -4.975 -2.984 3.307 97 HB3 GLU 14 2HB GLU 14 -4.358 -3.410 1.716 98 HG2 GLU 14 1HG GLU 14 -5.211 -5.432 1.946 99 HG3 GLU 14 2HG GLU 14 -4.139 -5.718 3.316 100 H VAL 15 H VAL 15 -1.603 -2.670 1.283 101 HA VAL 15 HA VAL 15 -1.466 0.092 2.302 102 HB VAL 15 HB VAL 15 0.730 -0.990 2.366 103 HG11 VAL 15 1HG1 VAL 15 0.133 -2.457 0.307 104 HG12 VAL 15 2HG1 VAL 15 1.802 -1.950 0.559 105 HG13 VAL 15 3HG1 VAL 15 0.795 -1.109 -0.619 106 HG21 VAL 15 3HG2 VAL 15 0.336 1.242 0.397 107 HG22 VAL 15 1HG2 VAL 15 1.940 0.670 0.858 108 HG23 VAL 15 2HG2 VAL 15 0.855 1.330 2.080 109 H ALA 16 H ALA 16 -1.911 1.734 0.942 110 HA ALA 16 HA ALA 16 -3.287 1.073 -1.522 111 HB1 ALA 16 3HB ALA 16 -2.875 3.857 -0.497 112 HB2 ALA 16 1HB ALA 16 -4.051 2.777 0.252 113 HB3 ALA 16 2HB ALA 16 -4.208 3.209 -1.450 114 H VAL 17 H VAL 17 -2.500 1.311 -3.516 115 HA VAL 17 HA VAL 17 0.095 2.679 -3.831 116 HB VAL 17 HB VAL 17 0.455 1.173 -5.807 117 HG11 VAL 17 1HG1 VAL 17 1.576 0.733 -3.714 118 HG12 VAL 17 2HG1 VAL 17 1.080 -0.794 -4.445 119 HG13 VAL 17 3HG1 VAL 17 0.162 -0.121 -3.097 120 HG21 VAL 17 3HG2 VAL 17 -2.119 0.599 -5.773 121 HG22 VAL 17 1HG2 VAL 17 -1.585 -0.697 -4.702 122 HG23 VAL 17 2HG2 VAL 17 -0.930 -0.575 -6.337 123 H ASP 18 H ASP 18 0.531 3.594 -5.956 124 HA ASP 18 HA ASP 18 -1.854 4.893 -7.063 125 HB2 ASP 18 1HB ASP 18 -0.298 6.561 -7.971 126 HB3 ASP 18 2HB ASP 18 -0.109 6.386 -6.230 127 H ASP 19 H ASP 19 0.607 2.607 -7.887 128 HA ASP 19 HA ASP 19 0.843 2.863 -10.627 129 HB2 ASP 19 1HB ASP 19 1.857 1.127 -8.869 130 HB3 ASP 19 2HB ASP 19 0.597 0.098 -9.547 131 H ASP 20 H ASP 20 -1.802 1.443 -8.777 132 HA ASP 20 HA ASP 20 -3.123 0.234 -10.981 133 HB2 ASP 20 1HB ASP 20 -3.480 -0.258 -8.501 134 HB3 ASP 20 2HB ASP 20 -4.465 1.199 -8.451 135 H GLY 21 H GLY 21 -3.715 3.300 -9.239 136 HA2 GLY 21 1HA GLY 21 -4.329 5.338 -10.256 137 HA3 GLY 21 2HA GLY 21 -4.764 4.451 -11.716 138 H THR 22 H THR 22 -5.891 3.365 -8.593 139 HA THR 22 HA THR 22 -8.635 3.827 -9.439 140 HB THR 22 HB THR 22 -8.177 2.646 -6.777 141 HG1 THR 22 HG1 THR 22 -7.268 1.287 -9.098 142 HG21 THR 22 3HG2 THR 22 -9.517 0.778 -8.120 143 HG22 THR 22 1HG2 THR 22 -9.927 2.186 -9.099 144 HG23 THR 22 2HG2 THR 22 -10.291 2.177 -7.374 145 H TYR 23 H TYR 23 -10.147 4.331 -7.408 146 HA TYR 23 HA TYR 23 -9.819 7.031 -6.798 147 HB2 TYR 23 1HB TYR 23 -11.913 5.442 -6.660 148 HB3 TYR 23 2HB TYR 23 -11.418 5.274 -4.980 149 HD1 TYR 23 HD2 TYR 23 -11.800 8.064 -7.452 150 HD2 TYR 23 HD1 TYR 23 -12.520 6.647 -3.506 151 HE1 TYR 23 HE2 TYR 23 -12.949 10.169 -6.914 152 HE2 TYR 23 HE1 TYR 23 -13.670 8.748 -2.955 153 HH TYR 23 HH TYR 23 -14.956 10.685 -4.820 154 H ALA 24 H ALA 24 -8.772 4.166 -5.040 155 HA ALA 24 HA ALA 24 -8.235 5.267 -2.535 156 HB1 ALA 24 3HB ALA 24 -7.228 3.299 -2.064 157 HB2 ALA 24 1HB ALA 24 -6.264 3.314 -3.540 158 HB3 ALA 24 2HB ALA 24 -7.951 2.806 -3.595 159 H ASP 25 H ASP 25 -6.323 5.318 -5.509 160 HA ASP 25 HA ASP 25 -3.952 6.394 -4.408 161 HB2 ASP 25 1HB ASP 25 -3.992 5.339 -6.621 162 HB3 ASP 25 2HB ASP 25 -5.048 6.609 -7.226 163 H LEU 26 H LEU 26 -6.857 7.899 -5.774 164 HA LEU 26 HA LEU 26 -6.000 10.549 -5.860 165 HB2 LEU 26 1HB LEU 26 -8.123 9.706 -6.811 166 HB3 LEU 26 2HB LEU 26 -8.763 9.522 -5.191 167 HG LEU 26 HG LEU 26 -7.936 12.191 -5.333 168 HD11 LEU 26 1HD1 LEU 26 -8.455 13.074 -7.339 169 HD12 LEU 26 2HD1 LEU 26 -9.745 11.911 -7.641 170 HD13 LEU 26 3HD1 LEU 26 -8.064 11.456 -7.917 171 HD21 LEU 26 3HD2 LEU 26 -9.828 11.887 -4.115 172 HD22 LEU 26 1HD2 LEU 26 -10.483 10.683 -5.225 173 HD23 LEU 26 2HD2 LEU 26 -10.578 12.398 -5.626 174 H VAL 27 H VAL 27 -7.232 8.638 -3.161 175 HA VAL 27 HA VAL 27 -7.462 10.790 -1.320 176 HB VAL 27 HB VAL 27 -7.010 7.879 -0.640 177 HG11 VAL 27 1HG1 VAL 27 -8.449 10.021 0.916 178 HG12 VAL 27 2HG1 VAL 27 -6.769 9.558 1.190 179 HG13 VAL 27 3HG1 VAL 27 -8.061 8.386 1.449 180 HG21 VAL 27 3HG2 VAL 27 -8.878 8.017 -2.170 181 HG22 VAL 27 1HG2 VAL 27 -9.594 9.324 -1.229 182 HG23 VAL 27 2HG2 VAL 27 -9.477 7.705 -0.540 183 H ARG 28 H ARG 28 -4.953 8.282 -1.766 184 HA ARG 28 HA ARG 28 -3.201 9.219 0.221 185 HB2 ARG 28 1HB ARG 28 -3.187 6.996 -1.137 186 HB3 ARG 28 2HB ARG 28 -2.200 7.897 -2.280 187 HG2 ARG 28 1HG ARG 28 -1.415 7.962 0.580 188 HG3 ARG 28 2HG ARG 28 -1.138 6.474 -0.326 189 HD2 ARG 28 1HD ARG 28 0.486 7.392 -1.599 190 HD3 ARG 28 2HD ARG 28 -0.316 8.959 -1.675 191 HE ARG 28 HE ARG 28 0.709 8.453 0.928 192 HH11 ARG 28 1HH1 ARG 28 1.683 9.430 -2.291 193 HH12 ARG 28 2HH1 ARG 28 3.073 10.303 -1.739 194 HH21 ARG 28 1HH2 ARG 28 2.541 9.602 1.651 195 HH22 ARG 28 2HH2 ARG 28 3.562 10.400 0.500 196 H ALA 29 H ALA 29 -3.580 10.117 -3.168 197 HA ALA 29 HA ALA 29 -1.236 11.573 -3.567 198 HB1 ALA 29 3HB ALA 29 -2.400 12.686 -5.378 199 HB2 ALA 29 1HB ALA 29 -3.956 12.164 -4.732 200 HB3 ALA 29 2HB ALA 29 -2.816 10.972 -5.354 201 H VAL 30 H VAL 30 -4.127 12.429 -1.794 202 HA VAL 30 HA VAL 30 -3.291 15.217 -1.555 203 HB VAL 30 HB VAL 30 -5.710 13.943 -0.275 204 HG11 VAL 30 1HG1 VAL 30 -6.464 16.438 -0.771 205 HG12 VAL 30 2HG1 VAL 30 -4.724 16.716 -0.678 206 HG13 VAL 30 3HG1 VAL 30 -5.579 16.003 0.692 207 HG21 VAL 30 3HG2 VAL 30 -6.751 15.222 -2.403 208 HG22 VAL 30 1HG2 VAL 30 -6.349 13.505 -2.396 209 HG23 VAL 30 2HG2 VAL 30 -5.224 14.671 -3.092 210 H ASP 31 H ASP 31 -1.869 12.836 -0.278 211 HA ASP 31 HA ASP 31 -0.737 12.388 1.632 212 HB2 ASP 31 1HB ASP 31 -1.612 15.196 2.344 213 HB3 ASP 31 2HB ASP 31 -0.470 14.248 3.289 214 H LEU 32 H LEU 32 -3.200 11.247 1.506 215 HA LEU 32 HA LEU 32 -4.091 11.362 4.311 216 HB2 LEU 32 1HB LEU 32 -5.713 11.393 1.804 217 HB3 LEU 32 2HB LEU 32 -6.354 10.559 3.205 218 HG LEU 32 HG LEU 32 -5.638 12.955 4.300 219 HD11 LEU 32 1HD1 LEU 32 -5.731 14.679 2.875 220 HD12 LEU 32 2HD1 LEU 32 -7.044 13.964 1.940 221 HD13 LEU 32 3HD1 LEU 32 -5.378 13.473 1.639 222 HD21 LEU 32 3HD2 LEU 32 -7.708 12.254 4.915 223 HD22 LEU 32 1HD2 LEU 32 -8.143 11.744 3.284 224 HD23 LEU 32 2HD2 LEU 32 -8.194 13.452 3.717 225 H SER 33 H SER 33 -2.137 9.645 3.712 226 HA SER 33 HA SER 33 -3.336 7.070 3.032 227 HB2 SER 33 1HB SER 33 -0.632 6.678 3.734 228 HB3 SER 33 2HB SER 33 -1.322 6.710 2.114 229 HG SER 33 HG SER 33 -0.012 8.749 3.538 230 HA PRO 34 HA PRO 34 -3.708 6.276 7.432 231 HB2 PRO 34 1HB PRO 34 -5.195 4.051 7.241 232 HB3 PRO 34 2HB PRO 34 -5.869 5.647 6.887 233 HG2 PRO 34 1HG PRO 34 -4.933 3.521 5.005 234 HG3 PRO 34 2HG PRO 34 -6.350 4.579 4.884 235 HD2 PRO 34 1HD PRO 34 -3.963 4.993 3.562 236 HD3 PRO 34 2HD PRO 34 -5.148 6.263 3.924 237 H HIS 35 H HIS 35 -2.522 4.004 5.022 238 HA HIS 35 HA HIS 35 -1.634 1.968 6.758 239 HB2 HIS 35 1HB HIS 35 -0.062 1.420 4.783 240 HB3 HIS 35 2HB HIS 35 -1.795 1.318 4.508 241 HD1 HIS 35 HD1 HIS 35 -2.851 3.079 2.928 242 HD2 HIS 35 HD2 HIS 35 1.270 3.430 3.338 243 HE1 HIS 35 HE1 HIS 35 -2.123 4.644 1.103 244 HE2 HIS 35 HE2 HIS 35 0.382 4.775 1.314 245 H GLU 36 H GLU 36 0.026 4.798 5.415 246 HA GLU 36 HA GLU 36 2.081 5.700 5.803 247 HB2 GLU 36 1HB GLU 36 0.544 5.678 8.132 248 HB3 GLU 36 2HB GLU 36 2.150 5.187 8.654 249 HG2 GLU 36 1HG GLU 36 1.600 7.638 7.003 250 HG3 GLU 36 2HG GLU 36 1.709 7.632 8.764 251 H VAL 37 H VAL 37 2.425 3.157 4.899 252 HA VAL 37 HA VAL 37 4.737 2.227 6.476 253 HB VAL 37 HB VAL 37 4.245 -0.075 5.645 254 HG11 VAL 37 1HG1 VAL 37 2.724 1.424 7.638 255 HG12 VAL 37 2HG1 VAL 37 3.542 -0.132 7.769 256 HG13 VAL 37 3HG1 VAL 37 1.917 -0.045 7.092 257 HG21 VAL 37 3HG2 VAL 37 1.770 -0.403 4.988 258 HG22 VAL 37 1HG2 VAL 37 2.894 0.189 3.766 259 HG23 VAL 37 2HG2 VAL 37 1.808 1.311 4.584 260 H THR 38 H THR 38 6.377 1.076 5.206 261 HA THR 38 HA THR 38 6.647 2.262 2.534 262 HB THR 38 HB THR 38 8.939 0.818 3.745 263 HG1 THR 38 HG1 THR 38 7.966 3.259 4.814 264 HG21 THR 38 3HG2 THR 38 8.644 2.609 1.677 265 HG22 THR 38 1HG2 THR 38 10.159 2.117 2.432 266 HG23 THR 38 2HG2 THR 38 9.339 3.580 2.974 267 H VAL 39 H VAL 39 6.370 1.043 0.791 268 HA VAL 39 HA VAL 39 6.026 -1.816 1.032 269 HB VAL 39 HB VAL 39 5.461 -1.773 -1.355 270 HG11 VAL 39 1HG1 VAL 39 3.511 -1.417 -0.284 271 HG12 VAL 39 2HG1 VAL 39 3.631 0.169 -1.043 272 HG13 VAL 39 3HG1 VAL 39 4.134 -0.048 0.633 273 HG21 VAL 39 3HG2 VAL 39 6.579 -0.228 -2.553 274 HG22 VAL 39 1HG2 VAL 39 6.695 0.895 -1.199 275 HG23 VAL 39 2HG2 VAL 39 5.211 0.807 -2.145 276 H LEU 40 H LEU 40 7.401 -3.387 0.395 277 HA LEU 40 HA LEU 40 10.047 -2.545 -0.566 278 HB2 LEU 40 1HB LEU 40 9.060 -4.781 1.124 279 HB3 LEU 40 2HB LEU 40 10.450 -5.102 0.101 280 HG LEU 40 HG LEU 40 11.058 -4.452 2.410 281 HD11 LEU 40 1HD1 LEU 40 12.058 -2.193 0.789 282 HD12 LEU 40 2HD1 LEU 40 12.312 -3.813 0.140 283 HD13 LEU 40 3HD1 LEU 40 12.937 -3.394 1.734 284 HD21 LEU 40 3HD2 LEU 40 10.402 -1.612 1.901 285 HD22 LEU 40 1HD2 LEU 40 10.438 -2.519 3.413 286 HD23 LEU 40 2HD2 LEU 40 9.058 -2.672 2.327 287 H VAL 41 H VAL 41 11.014 -3.519 -2.341 288 HA VAL 41 HA VAL 41 9.165 -4.946 -4.124 289 HB VAL 41 HB VAL 41 11.827 -3.766 -4.916 290 HG11 VAL 41 1HG1 VAL 41 9.361 -4.439 -6.517 291 HG12 VAL 41 2HG1 VAL 41 10.829 -5.414 -6.434 292 HG13 VAL 41 3HG1 VAL 41 10.879 -3.804 -7.155 293 HG21 VAL 41 3HG2 VAL 41 9.239 -2.414 -4.429 294 HG22 VAL 41 1HG2 VAL 41 10.100 -1.970 -5.903 295 HG23 VAL 41 2HG2 VAL 41 10.885 -1.785 -4.335 296 H ASP 42 H ASP 42 9.459 -7.056 -4.497 297 HA ASP 42 HA ASP 42 11.454 -8.526 -3.151 298 HB2 ASP 42 1HB ASP 42 10.609 -10.455 -4.523 299 HB3 ASP 42 2HB ASP 42 9.356 -9.608 -3.624 300 H GLY 43 H GLY 43 13.472 -8.759 -3.650 301 HA2 GLY 43 1HA GLY 43 15.427 -8.380 -4.836 302 HA3 GLY 43 2HA GLY 43 14.778 -9.754 -5.703 303 H ARG 44 H ARG 44 13.585 -6.399 -5.799 304 HA ARG 44 HA ARG 44 14.559 -6.200 -8.565 305 HB2 ARG 44 1HB ARG 44 11.856 -6.497 -7.771 306 HB3 ARG 44 2HB ARG 44 12.052 -4.841 -8.325 307 HG2 ARG 44 1HG ARG 44 11.368 -6.167 -10.177 308 HG3 ARG 44 2HG ARG 44 13.062 -5.733 -10.418 309 HD2 ARG 44 1HD ARG 44 13.727 -7.936 -9.538 310 HD3 ARG 44 2HD ARG 44 12.024 -8.361 -9.361 311 HE ARG 44 HE ARG 44 12.586 -7.568 -12.023 312 HH11 ARG 44 1HH1 ARG 44 13.030 -10.242 -9.806 313 HH12 ARG 44 2HH1 ARG 44 13.099 -11.431 -11.062 314 HH21 ARG 44 1HH2 ARG 44 12.679 -9.135 -13.672 315 HH22 ARG 44 2HH2 ARG 44 12.900 -10.803 -13.260 316 HA PRO 45 HA PRO 45 15.877 -2.203 -7.150 317 HB2 PRO 45 1HB PRO 45 16.600 -1.134 -9.527 318 HB3 PRO 45 2HB PRO 45 17.551 -2.389 -8.725 319 HG2 PRO 45 1HG PRO 45 15.638 -2.622 -11.003 320 HG3 PRO 45 2HG PRO 45 17.183 -3.449 -10.744 321 HD2 PRO 45 1HD PRO 45 14.725 -4.584 -10.268 322 HD3 PRO 45 2HD PRO 45 16.229 -5.089 -9.473 323 H VAL 46 H VAL 46 13.791 -2.314 -10.045 324 HA VAL 46 HA VAL 46 12.020 -0.319 -8.910 325 HB VAL 46 HB VAL 46 12.058 1.084 -10.983 326 HG11 VAL 46 1HG1 VAL 46 14.717 1.022 -9.565 327 HG12 VAL 46 2HG1 VAL 46 13.244 1.720 -8.890 328 HG13 VAL 46 3HG1 VAL 46 13.953 2.405 -10.352 329 HG21 VAL 46 3HG2 VAL 46 13.042 0.046 -12.732 330 HG22 VAL 46 1HG2 VAL 46 14.146 -0.873 -11.708 331 HG23 VAL 46 2HG2 VAL 46 14.498 0.811 -12.095 332 HA PRO 47 HA PRO 47 9.278 -2.900 -11.312 333 HB2 PRO 47 1HB PRO 47 6.952 -1.822 -10.578 334 HB3 PRO 47 2HB PRO 47 7.965 -2.677 -9.409 335 HG2 PRO 47 1HG PRO 47 7.586 0.256 -9.799 336 HG3 PRO 47 2HG PRO 47 7.790 -0.659 -8.298 337 HD2 PRO 47 1HD PRO 47 9.794 0.755 -9.644 338 HD3 PRO 47 2HD PRO 47 10.053 -0.470 -8.388 339 H GLU 48 H GLU 48 10.541 -0.636 -12.742 340 HA GLU 48 HA GLU 48 8.565 0.856 -14.130 341 HB2 GLU 48 1HB GLU 48 11.401 0.225 -14.973 342 HB3 GLU 48 2HB GLU 48 10.377 1.482 -15.654 343 HG2 GLU 48 1HG GLU 48 10.303 2.561 -13.426 344 HG3 GLU 48 2HG GLU 48 11.445 1.353 -12.846 345 H ASP 49 H ASP 49 10.156 -2.220 -14.739 346 HA ASP 49 HA ASP 49 9.027 -2.509 -17.380 347 HB2 ASP 49 1HB ASP 49 10.879 -4.040 -15.656 348 HB3 ASP 49 2HB ASP 49 9.899 -5.003 -16.756 349 H GLN 50 H GLN 50 7.968 -3.141 -14.181 350 HA GLN 50 HA GLN 50 6.309 -5.369 -14.588 351 HB2 GLN 50 1HB GLN 50 7.039 -4.226 -12.395 352 HB3 GLN 50 2HB GLN 50 5.675 -3.149 -12.660 353 HG2 GLN 50 1HG GLN 50 4.129 -4.777 -12.261 354 HG3 GLN 50 2HG GLN 50 5.201 -6.078 -12.778 355 HE21 GLN 50 2HE2 GLN 50 3.593 -5.851 -10.363 356 HE22 GLN 50 1HE2 GLN 50 4.693 -5.978 -9.039 357 H SER 51 H SER 51 4.267 -5.615 -15.329 358 HA SER 51 HA SER 51 2.804 -3.199 -16.170 359 HB2 SER 51 1HB SER 51 3.179 -5.788 -17.691 360 HB3 SER 51 2HB SER 51 1.961 -4.585 -18.115 361 HG SER 51 HG SER 51 4.331 -4.591 -19.015 362 H VAL 52 H VAL 52 2.078 -3.869 -13.818 363 HA VAL 52 HA VAL 52 -0.436 -5.350 -14.146 364 HB VAL 52 HB VAL 52 1.278 -5.695 -11.683 365 HG11 VAL 52 1HG1 VAL 52 -1.280 -6.058 -11.714 366 HG12 VAL 52 2HG1 VAL 52 -0.255 -7.303 -11.003 367 HG13 VAL 52 3HG1 VAL 52 -0.903 -7.518 -12.628 368 HG21 VAL 52 3HG2 VAL 52 2.462 -6.638 -13.622 369 HG22 VAL 52 1HG2 VAL 52 1.035 -7.596 -14.017 370 HG23 VAL 52 2HG2 VAL 52 1.908 -7.893 -12.514 371 H GLU 53 H GLU 53 -2.158 -4.527 -13.021 372 HA GLU 53 HA GLU 53 -2.133 -1.839 -12.259 373 HB2 GLU 53 1HB GLU 53 -4.401 -2.208 -11.424 374 HB3 GLU 53 2HB GLU 53 -4.169 -3.009 -12.971 375 HG2 GLU 53 1HG GLU 53 -3.665 -5.106 -11.558 376 HG3 GLU 53 2HG GLU 53 -4.435 -4.213 -10.247 377 H VAL 54 H VAL 54 -2.030 -4.769 -10.248 378 HA VAL 54 HA VAL 54 -1.076 -3.107 -8.014 379 HB VAL 54 HB VAL 54 -2.270 -4.550 -6.420 380 HG11 VAL 54 1HG1 VAL 54 -3.730 -2.932 -8.435 381 HG12 VAL 54 2HG1 VAL 54 -3.520 -2.668 -6.704 382 HG13 VAL 54 3HG1 VAL 54 -4.677 -3.868 -7.280 383 HG21 VAL 54 3HG2 VAL 54 -2.485 -6.603 -7.584 384 HG22 VAL 54 1HG2 VAL 54 -3.359 -5.842 -8.914 385 HG23 VAL 54 2HG2 VAL 54 -4.124 -6.005 -7.333 386 H ASP 55 H ASP 55 0.135 -4.355 -6.375 387 HA ASP 55 HA ASP 55 1.211 -6.910 -7.243 388 HB2 ASP 55 1HB ASP 55 3.566 -6.102 -6.977 389 HB3 ASP 55 2HB ASP 55 2.722 -5.421 -8.363 390 H ARG 56 H ARG 56 2.392 -8.026 -5.578 391 HA ARG 56 HA ARG 56 1.516 -7.220 -2.903 392 HB2 ARG 56 1HB ARG 56 1.381 -9.631 -4.092 393 HB3 ARG 56 2HB ARG 56 2.956 -9.787 -3.325 394 HG2 ARG 56 1HG ARG 56 2.085 -9.914 -1.258 395 HG3 ARG 56 2HG ARG 56 0.818 -8.735 -1.604 396 HD2 ARG 56 1HD ARG 56 -0.230 -10.575 -3.047 397 HD3 ARG 56 2HD ARG 56 0.866 -11.675 -2.211 398 HE ARG 56 HE ARG 56 -0.442 -10.229 -0.249 399 HH11 ARG 56 1HH1 ARG 56 -1.340 -12.456 -2.800 400 HH12 ARG 56 2HH1 ARG 56 -2.721 -13.064 -1.951 401 HH21 ARG 56 1HH2 ARG 56 -2.256 -11.038 0.865 402 HH22 ARG 56 2HH2 ARG 56 -3.242 -12.257 0.130 403 H VAL 57 H VAL 57 2.857 -6.347 -1.496 404 HA VAL 57 HA VAL 57 5.754 -6.767 -1.787 405 HB VAL 57 HB VAL 57 6.083 -4.360 -1.142 406 HG11 VAL 57 1HG1 VAL 57 6.345 -5.154 -3.452 407 HG12 VAL 57 2HG1 VAL 57 5.736 -3.500 -3.392 408 HG13 VAL 57 3HG1 VAL 57 4.638 -4.832 -3.749 409 HG21 VAL 57 3HG2 VAL 57 4.169 -3.488 -0.265 410 HG22 VAL 57 1HG2 VAL 57 3.121 -4.408 -1.344 411 HG23 VAL 57 2HG2 VAL 57 3.959 -2.976 -1.939 412 H LYS 58 H LYS 58 6.964 -6.000 0.207 413 HA LYS 58 HA LYS 58 5.468 -6.856 2.589 414 HB2 LYS 58 1HB LYS 58 8.457 -6.548 2.476 415 HB3 LYS 58 2HB LYS 58 7.496 -7.555 3.549 416 HG2 LYS 58 1HG LYS 58 6.927 -8.501 0.992 417 HG3 LYS 58 2HG LYS 58 8.662 -8.179 0.985 418 HD2 LYS 58 1HD LYS 58 8.855 -10.201 1.933 419 HD3 LYS 58 2HD LYS 58 8.308 -9.405 3.410 420 HE2 LYS 58 1HE LYS 58 5.957 -9.945 2.715 421 HE3 LYS 58 2HE LYS 58 6.636 -10.918 1.411 422 HZ1 LYS 58 3HZ LYS 58 7.418 -12.484 2.866 423 HZ2 LYS 58 1HZ LYS 58 6.013 -12.004 3.674 424 HZ3 LYS 58 2HZ LYS 58 7.519 -11.412 4.171 425 H VAL 59 H VAL 59 5.218 -5.532 4.338 426 HA VAL 59 HA VAL 59 6.248 -2.787 4.046 427 HB VAL 59 HB VAL 59 4.424 -2.262 5.787 428 HG11 VAL 59 1HG1 VAL 59 3.762 -3.023 2.946 429 HG12 VAL 59 2HG1 VAL 59 4.282 -1.446 3.542 430 HG13 VAL 59 3HG1 VAL 59 2.701 -2.083 3.995 431 HG21 VAL 59 3HG2 VAL 59 3.318 -4.862 4.731 432 HG22 VAL 59 1HG2 VAL 59 2.507 -3.737 5.818 433 HG23 VAL 59 2HG2 VAL 59 3.938 -4.610 6.362 434 H LEU 60 H LEU 60 7.333 -1.781 5.658 435 HA LEU 60 HA LEU 60 8.223 -3.477 7.879 436 HB2 LEU 60 1HB LEU 60 10.030 -1.799 8.160 437 HB3 LEU 60 2HB LEU 60 10.041 -2.587 6.596 438 HG LEU 60 HG LEU 60 8.614 -0.385 5.975 439 HD11 LEU 60 1HD1 LEU 60 9.314 0.230 8.526 440 HD12 LEU 60 2HD1 LEU 60 8.966 1.412 7.264 441 HD13 LEU 60 3HD1 LEU 60 10.634 0.963 7.615 442 HD21 LEU 60 3HD2 LEU 60 11.595 -0.166 6.088 443 HD22 LEU 60 1HD2 LEU 60 10.483 0.319 4.807 444 HD23 LEU 60 2HD2 LEU 60 10.832 -1.389 5.072 445 H ARG 61 H ARG 61 7.702 -3.051 9.942 446 HA ARG 61 HA ARG 61 5.650 -1.188 10.534 447 HB2 ARG 61 1HB ARG 61 6.142 -3.375 11.738 448 HB3 ARG 61 2HB ARG 61 7.440 -2.526 12.563 449 HG2 ARG 61 1HG ARG 61 6.023 -1.325 13.862 450 HG3 ARG 61 2HG ARG 61 4.755 -1.280 12.636 451 HD2 ARG 61 1HD ARG 61 5.513 -3.764 14.163 452 HD3 ARG 61 2HD ARG 61 4.241 -2.656 14.677 453 HE ARG 61 HE ARG 61 3.910 -3.584 11.981 454 HH11 ARG 61 1HH1 ARG 61 3.311 -4.356 15.344 455 HH12 ARG 61 2HH1 ARG 61 1.975 -5.403 14.994 456 HH21 ARG 61 1HH2 ARG 61 2.145 -4.967 11.528 457 HH22 ARG 61 2HH2 ARG 61 1.317 -5.753 12.831 458 H LEU 62 H LEU 62 9.027 -1.295 11.732 459 HA LEU 62 HA LEU 62 8.859 1.611 12.189 460 HB2 LEU 62 1HB LEU 62 10.335 -0.594 13.551 461 HB3 LEU 62 2HB LEU 62 11.084 0.989 13.508 462 HG LEU 62 HG LEU 62 9.824 0.556 15.594 463 HD11 LEU 62 1HD1 LEU 62 9.137 2.817 13.780 464 HD12 LEU 62 2HD1 LEU 62 10.071 2.811 15.275 465 HD13 LEU 62 3HD1 LEU 62 8.314 2.674 15.332 466 HD21 LEU 62 3HD2 LEU 62 7.615 0.051 15.689 467 HD22 LEU 62 1HD2 LEU 62 7.978 -0.677 14.123 468 HD23 LEU 62 2HD2 LEU 62 7.235 0.920 14.201 469 H ILE 63 H ILE 63 11.383 -0.793 11.392 470 HA ILE 63 HA ILE 63 12.223 0.836 9.119 471 HB ILE 63 HB ILE 63 14.624 0.647 9.801 472 HG12 ILE 63 1HG1 ILE 63 14.658 0.509 12.506 473 HG13 ILE 63 2HG1 ILE 63 13.350 -0.617 12.158 474 HG21 ILE 63 1HG2 ILE 63 12.889 2.608 10.306 475 HG22 ILE 63 2HG2 ILE 63 14.585 2.689 10.781 476 HG23 ILE 63 3HG2 ILE 63 13.359 2.224 11.962 477 HD11 ILE 63 3HD1 ILE 63 15.936 -0.859 10.696 478 HD12 ILE 63 1HD1 ILE 63 14.733 -2.095 11.070 479 HD13 ILE 63 2HD1 ILE 63 15.785 -1.475 12.342 480 H LYS 64 H LYS 64 14.168 -0.365 7.996 481 HA LYS 64 HA LYS 64 14.133 -3.241 8.291 482 HB2 LYS 64 1HB LYS 64 12.213 -2.198 6.641 483 HB3 LYS 64 2HB LYS 64 13.527 -2.491 5.510 484 HG2 LYS 64 1HG LYS 64 13.572 -4.833 6.750 485 HG3 LYS 64 2HG LYS 64 11.887 -4.412 7.061 486 HD2 LYS 64 1HD LYS 64 11.313 -4.498 4.842 487 HD3 LYS 64 2HD LYS 64 12.940 -4.091 4.295 488 HE2 LYS 64 1HE LYS 64 12.394 -6.698 5.665 489 HE3 LYS 64 2HE LYS 64 12.051 -6.501 3.948 490 HZ1 LYS 64 3HZ LYS 64 14.437 -7.230 4.988 491 HZ2 LYS 64 1HZ LYS 64 14.671 -5.576 4.715 492 HZ3 LYS 64 2HZ LYS 64 14.211 -6.588 3.441 493 H GLY 65 H GLY 65 15.692 -4.313 6.842 494 HA2 GLY 65 1HA GLY 65 17.535 -2.684 5.337 495 HA3 GLY 65 2HA GLY 65 18.200 -3.262 6.858 496 H GLY 66 H GLY 66 19.642 -4.103 4.924 497 HA2 GLY 66 1HA GLY 66 19.581 -6.874 4.965 498 HA3 GLY 66 2HA GLY 66 18.739 -6.395 3.501 Start of MODEL 20 1 H1 MET 1 1H MET 1 -6.917 2.015 -3.929 2 H2 MET 1 2H MET 1 -8.292 1.740 -4.917 3 H3 MET 1 3H MET 1 -6.741 1.220 -5.439 4 HA MET 1 HA MET 1 -8.458 0.146 -3.321 5 HB2 MET 1 1HB MET 1 -8.537 -0.606 -5.746 6 HB3 MET 1 2HB MET 1 -6.905 -1.215 -5.527 7 HG2 MET 1 1HG MET 1 -7.699 -2.710 -3.763 8 HG3 MET 1 2HG MET 1 -9.337 -2.100 -3.992 9 HE1 MET 1 3HE MET 1 -10.937 -3.211 -5.120 10 HE2 MET 1 1HE MET 1 -10.809 -4.212 -6.567 11 HE3 MET 1 2HE MET 1 -10.594 -2.465 -6.681 12 H ASN 2 H ASN 2 -7.569 -1.409 -1.892 13 HA ASN 2 HA ASN 2 -4.805 -0.831 -1.162 14 HB2 ASN 2 1HB ASN 2 -6.914 -2.415 0.322 15 HB3 ASN 2 2HB ASN 2 -5.331 -1.971 0.949 16 HD21 ASN 2 2HD2 ASN 2 -8.452 -1.237 1.192 17 HD22 ASN 2 1HD2 ASN 2 -8.356 0.447 1.570 18 H VAL 3 H VAL 3 -3.227 -2.406 -0.873 19 HA VAL 3 HA VAL 3 -3.755 -4.961 -2.241 20 HB VAL 3 HB VAL 3 -1.266 -5.043 -2.620 21 HG11 VAL 3 1HG1 VAL 3 -2.178 -2.596 -4.002 22 HG12 VAL 3 2HG1 VAL 3 -3.199 -4.024 -4.160 23 HG13 VAL 3 3HG1 VAL 3 -1.508 -4.090 -4.656 24 HG21 VAL 3 3HG2 VAL 3 -1.020 -3.100 -0.820 25 HG22 VAL 3 1HG2 VAL 3 -1.120 -2.100 -2.270 26 HG23 VAL 3 2HG2 VAL 3 0.142 -3.322 -2.126 27 H THR 4 H THR 4 -3.190 -6.867 -1.270 28 HA THR 4 HA THR 4 -2.855 -6.828 1.577 29 HB THR 4 HB THR 4 -2.592 -9.265 -0.182 30 HG1 THR 4 HG1 THR 4 -4.984 -8.008 0.688 31 HG21 THR 4 3HG2 THR 4 -2.254 -10.034 1.936 32 HG22 THR 4 1HG2 THR 4 -4.011 -10.152 1.831 33 HG23 THR 4 2HG2 THR 4 -3.267 -8.792 2.672 34 H VAL 5 H VAL 5 -0.973 -6.453 2.521 35 HA VAL 5 HA VAL 5 1.484 -7.469 1.245 36 HB VAL 5 HB VAL 5 2.699 -5.651 2.388 37 HG11 VAL 5 1HG1 VAL 5 2.306 -4.143 0.730 38 HG12 VAL 5 2HG1 VAL 5 0.554 -4.233 0.905 39 HG13 VAL 5 3HG1 VAL 5 1.425 -5.516 0.065 40 HG21 VAL 5 3HG2 VAL 5 1.326 -5.196 4.281 41 HG22 VAL 5 1HG2 VAL 5 -0.059 -4.813 3.261 42 HG23 VAL 5 2HG2 VAL 5 1.336 -3.739 3.287 43 H GLU 6 H GLU 6 2.861 -8.706 2.415 44 HA GLU 6 HA GLU 6 1.926 -9.714 4.956 45 HB2 GLU 6 1HB GLU 6 2.977 -11.117 3.107 46 HB3 GLU 6 2HB GLU 6 4.519 -10.417 3.580 47 HG2 GLU 6 1HG GLU 6 4.525 -11.491 5.635 48 HG3 GLU 6 2HG GLU 6 2.786 -11.771 5.605 49 H VAL 7 H VAL 7 2.359 -8.713 6.792 50 HA VAL 7 HA VAL 7 4.634 -6.909 7.000 51 HB VAL 7 HB VAL 7 2.640 -7.527 9.181 52 HG11 VAL 7 1HG1 VAL 7 4.553 -5.276 8.637 53 HG12 VAL 7 2HG1 VAL 7 4.443 -6.315 10.058 54 HG13 VAL 7 3HG1 VAL 7 3.197 -5.105 9.752 55 HG21 VAL 7 3HG2 VAL 7 2.176 -6.181 6.657 56 HG22 VAL 7 1HG2 VAL 7 1.875 -5.118 8.032 57 HG23 VAL 7 2HG2 VAL 7 1.029 -6.659 7.907 58 H VAL 8 H VAL 8 6.469 -7.320 8.120 59 HA VAL 8 HA VAL 8 6.896 -10.010 9.089 60 HB VAL 8 HB VAL 8 8.820 -7.678 9.188 61 HG11 VAL 8 1HG1 VAL 8 9.055 -10.058 10.450 62 HG12 VAL 8 2HG1 VAL 8 10.421 -9.107 9.871 63 HG13 VAL 8 3HG1 VAL 8 9.800 -10.439 8.896 64 HG21 VAL 8 3HG2 VAL 8 8.780 -9.805 7.067 65 HG22 VAL 8 1HG2 VAL 8 9.642 -8.266 7.072 66 HG23 VAL 8 2HG2 VAL 8 7.889 -8.294 6.887 67 H GLY 9 H GLY 9 6.513 -10.646 11.106 68 HA2 GLY 9 1HA GLY 9 6.714 -10.573 13.448 69 HA3 GLY 9 2HA GLY 9 7.055 -8.847 13.344 70 H GLU 10 H GLU 10 4.637 -8.517 11.553 71 HA GLU 10 HA GLU 10 2.570 -8.659 13.646 72 HB2 GLU 10 1HB GLU 10 3.601 -6.376 12.674 73 HB3 GLU 10 2HB GLU 10 2.343 -6.642 11.476 74 HG2 GLU 10 1HG GLU 10 1.234 -7.046 14.069 75 HG3 GLU 10 2HG GLU 10 2.109 -5.517 14.053 76 H GLU 11 H GLU 11 0.310 -8.685 12.774 77 HA GLU 11 HA GLU 11 -0.084 -10.862 11.063 78 HB2 GLU 11 1HB GLU 11 -1.665 -9.347 12.746 79 HB3 GLU 11 2HB GLU 11 -2.350 -9.012 11.164 80 HG2 GLU 11 1HG GLU 11 -3.568 -10.831 11.927 81 HG3 GLU 11 2HG GLU 11 -2.381 -11.552 10.844 82 H THR 12 H THR 12 -2.041 -10.271 9.219 83 HA THR 12 HA THR 12 -0.480 -8.828 7.201 84 HB THR 12 HB THR 12 -2.934 -10.324 6.431 85 HG1 THR 12 HG1 THR 12 -0.554 -11.594 7.310 86 HG21 THR 12 3HG2 THR 12 -0.754 -9.267 5.077 87 HG22 THR 12 1HG2 THR 12 -2.005 -10.328 4.426 88 HG23 THR 12 2HG2 THR 12 -0.506 -11.013 5.052 89 H SER 13 H SER 13 -1.110 -6.974 6.318 90 HA SER 13 HA SER 13 -3.869 -6.048 6.720 91 HB2 SER 13 1HB SER 13 -1.418 -4.307 7.083 92 HB3 SER 13 2HB SER 13 -3.098 -3.829 7.322 93 HG SER 13 HG SER 13 -2.431 -4.317 9.324 94 H GLU 14 H GLU 14 -4.453 -4.224 5.272 95 HA GLU 14 HA GLU 14 -3.153 -4.551 2.654 96 HB2 GLU 14 1HB GLU 14 -5.268 -3.798 1.669 97 HB3 GLU 14 2HB GLU 14 -5.515 -5.198 2.705 98 HG2 GLU 14 1HG GLU 14 -6.240 -3.645 4.512 99 HG3 GLU 14 2HG GLU 14 -6.150 -2.328 3.346 100 H VAL 15 H VAL 15 -2.443 -2.813 1.489 101 HA VAL 15 HA VAL 15 -2.756 -0.142 2.686 102 HB VAL 15 HB VAL 15 -0.553 -1.012 3.337 103 HG11 VAL 15 1HG1 VAL 15 0.448 -0.928 0.544 104 HG12 VAL 15 2HG1 VAL 15 -0.452 -2.353 1.056 105 HG13 VAL 15 3HG1 VAL 15 1.008 -1.874 1.921 106 HG21 VAL 15 3HG2 VAL 15 -0.518 1.233 1.327 107 HG22 VAL 15 1HG2 VAL 15 0.828 0.845 2.398 108 HG23 VAL 15 2HG2 VAL 15 -0.716 1.357 3.073 109 H ALA 16 H ALA 16 -2.756 1.600 1.244 110 HA ALA 16 HA ALA 16 -3.505 0.907 -1.470 111 HB1 ALA 16 3HB ALA 16 -4.577 2.897 -1.554 112 HB2 ALA 16 1HB ALA 16 -3.295 3.750 -0.695 113 HB3 ALA 16 2HB ALA 16 -4.460 2.774 0.200 114 H VAL 17 H VAL 17 -2.209 0.969 -3.180 115 HA VAL 17 HA VAL 17 0.363 2.394 -2.940 116 HB VAL 17 HB VAL 17 1.183 0.755 -4.689 117 HG11 VAL 17 1HG1 VAL 17 0.508 -0.882 -2.331 118 HG12 VAL 17 2HG1 VAL 17 1.292 0.664 -2.006 119 HG13 VAL 17 3HG1 VAL 17 2.074 -0.518 -3.055 120 HG21 VAL 17 3HG2 VAL 17 -1.270 -0.793 -3.856 121 HG22 VAL 17 1HG2 VAL 17 0.012 -1.355 -4.930 122 HG23 VAL 17 2HG2 VAL 17 -1.036 -0.026 -5.426 123 H ASP 18 H ASP 18 1.314 3.146 -4.969 124 HA ASP 18 HA ASP 18 -0.594 4.626 -6.516 125 HB2 ASP 18 1HB ASP 18 2.415 4.393 -6.738 126 HB3 ASP 18 2HB ASP 18 1.432 5.507 -7.683 127 H ASP 19 H ASP 19 1.394 1.767 -7.031 128 HA ASP 19 HA ASP 19 1.312 1.499 -9.786 129 HB2 ASP 19 1HB ASP 19 2.226 -0.062 -7.747 130 HB3 ASP 19 2HB ASP 19 0.837 -1.004 -8.279 131 H ASP 20 H ASP 20 -1.155 0.691 -7.399 132 HA ASP 20 HA ASP 20 -2.975 -0.753 -8.844 133 HB2 ASP 20 1HB ASP 20 -2.969 0.332 -6.377 134 HB3 ASP 20 2HB ASP 20 -4.123 1.403 -7.163 135 H GLY 21 H GLY 21 -2.722 2.813 -8.757 136 HA2 GLY 21 1HA GLY 21 -3.327 4.371 -10.346 137 HA3 GLY 21 2HA GLY 21 -3.654 3.042 -11.452 138 H THR 22 H THR 22 -5.237 3.191 -8.335 139 HA THR 22 HA THR 22 -7.795 3.573 -9.712 140 HB THR 22 HB THR 22 -8.475 2.977 -7.145 141 HG1 THR 22 HG1 THR 22 -6.258 1.307 -7.579 142 HG21 THR 22 3HG2 THR 22 -9.377 1.758 -8.981 143 HG22 THR 22 1HG2 THR 22 -8.657 0.609 -7.853 144 HG23 THR 22 2HG2 THR 22 -7.808 1.036 -9.339 145 H TYR 23 H TYR 23 -9.507 4.695 -8.215 146 HA TYR 23 HA TYR 23 -8.826 7.405 -8.018 147 HB2 TYR 23 1HB TYR 23 -11.166 5.748 -7.301 148 HB3 TYR 23 2HB TYR 23 -11.013 7.260 -6.412 149 HD1 TYR 23 HD2 TYR 23 -10.903 5.958 -9.915 150 HD2 TYR 23 HD1 TYR 23 -11.911 9.190 -7.334 151 HE1 TYR 23 HE2 TYR 23 -11.872 7.171 -11.820 152 HE2 TYR 23 HE1 TYR 23 -12.883 10.409 -9.234 153 HH TYR 23 HH TYR 23 -12.372 10.238 -11.985 154 H ALA 24 H ALA 24 -8.796 4.842 -5.601 155 HA ALA 24 HA ALA 24 -8.576 6.372 -3.277 156 HB1 ALA 24 3HB ALA 24 -6.941 3.946 -3.273 157 HB2 ALA 24 1HB ALA 24 -8.595 3.698 -3.833 158 HB3 ALA 24 2HB ALA 24 -8.297 4.404 -2.243 159 H ASP 25 H ASP 25 -6.123 5.449 -5.645 160 HA ASP 25 HA ASP 25 -3.835 6.157 -4.199 161 HB2 ASP 25 1HB ASP 25 -3.827 4.923 -6.367 162 HB3 ASP 25 2HB ASP 25 -4.237 6.426 -7.185 163 H LEU 26 H LEU 26 -6.033 8.117 -6.165 164 HA LEU 26 HA LEU 26 -4.500 10.498 -6.106 165 HB2 LEU 26 1HB LEU 26 -6.597 9.824 -7.534 166 HB3 LEU 26 2HB LEU 26 -7.490 10.546 -6.210 167 HG LEU 26 HG LEU 26 -5.533 12.437 -6.866 168 HD11 LEU 26 1HD1 LEU 26 -6.386 12.677 -9.371 169 HD12 LEU 26 2HD1 LEU 26 -6.453 10.920 -9.241 170 HD13 LEU 26 3HD1 LEU 26 -4.934 11.768 -8.952 171 HD21 LEU 26 3HD2 LEU 26 -7.565 13.275 -6.205 172 HD22 LEU 26 1HD2 LEU 26 -8.481 12.158 -7.217 173 HD23 LEU 26 2HD2 LEU 26 -7.657 13.536 -7.947 174 H VAL 27 H VAL 27 -6.888 9.118 -3.911 175 HA VAL 27 HA VAL 27 -7.189 11.429 -2.275 176 HB VAL 27 HB VAL 27 -7.669 8.571 -1.417 177 HG11 VAL 27 1HG1 VAL 27 -9.147 11.034 -0.534 178 HG12 VAL 27 2HG1 VAL 27 -7.678 10.483 0.272 179 HG13 VAL 27 3HG1 VAL 27 -9.101 9.443 0.227 180 HG21 VAL 27 3HG2 VAL 27 -9.066 8.535 -3.202 181 HG22 VAL 27 1HG2 VAL 27 -9.179 10.293 -3.293 182 HG23 VAL 27 2HG2 VAL 27 -10.125 9.408 -2.096 183 H ARG 28 H ARG 28 -5.335 8.399 -1.842 184 HA ARG 28 HA ARG 28 -4.130 9.167 0.590 185 HB2 ARG 28 1HB ARG 28 -2.412 7.386 0.018 186 HB3 ARG 28 2HB ARG 28 -4.083 6.858 0.112 187 HG2 ARG 28 1HG ARG 28 -4.140 6.251 -2.042 188 HG3 ARG 28 2HG ARG 28 -3.220 7.658 -2.569 189 HD2 ARG 28 1HD ARG 28 -1.860 5.459 -1.068 190 HD3 ARG 28 2HD ARG 28 -2.197 5.271 -2.786 191 HE ARG 28 HE ARG 28 -0.717 7.034 -3.260 192 HH11 ARG 28 1HH1 ARG 28 -0.809 6.285 0.172 193 HH12 ARG 28 2HH1 ARG 28 0.663 7.128 0.514 194 HH21 ARG 28 1HH2 ARG 28 1.223 8.132 -2.789 195 HH22 ARG 28 2HH2 ARG 28 1.815 8.175 -1.161 196 H ALA 29 H ALA 29 -3.204 9.702 -2.764 197 HA ALA 29 HA ALA 29 -0.566 10.522 -2.450 198 HB1 ALA 29 3HB ALA 29 -0.975 10.416 -4.658 199 HB2 ALA 29 1HB ALA 29 -1.385 12.121 -4.476 200 HB3 ALA 29 2HB ALA 29 -2.660 10.903 -4.477 201 H VAL 30 H VAL 30 -3.494 12.198 -1.572 202 HA VAL 30 HA VAL 30 -2.193 14.782 -1.353 203 HB VAL 30 HB VAL 30 -4.913 14.177 -0.234 204 HG11 VAL 30 1HG1 VAL 30 -3.620 16.417 -0.022 205 HG12 VAL 30 2HG1 VAL 30 -5.324 16.442 -0.470 206 HG13 VAL 30 3HG1 VAL 30 -4.086 16.644 -1.707 207 HG21 VAL 30 3HG2 VAL 30 -5.680 14.974 -2.602 208 HG22 VAL 30 1HG2 VAL 30 -5.295 13.277 -2.319 209 HG23 VAL 30 2HG2 VAL 30 -4.120 14.328 -3.110 210 H ASP 31 H ASP 31 -1.323 12.418 0.336 211 HA ASP 31 HA ASP 31 -0.509 12.057 2.412 212 HB2 ASP 31 1HB ASP 31 -0.130 14.701 2.043 213 HB3 ASP 31 2HB ASP 31 -1.197 14.753 3.442 214 H LEU 32 H LEU 32 -2.995 11.120 2.030 215 HA LEU 32 HA LEU 32 -4.255 11.545 4.651 216 HB2 LEU 32 1HB LEU 32 -5.665 11.295 1.993 217 HB3 LEU 32 2HB LEU 32 -6.473 11.226 3.547 218 HG LEU 32 HG LEU 32 -4.825 13.623 3.210 219 HD11 LEU 32 1HD1 LEU 32 -5.935 12.955 0.883 220 HD12 LEU 32 2HD1 LEU 32 -5.814 14.624 1.437 221 HD13 LEU 32 3HD1 LEU 32 -7.326 13.738 1.634 222 HD21 LEU 32 3HD2 LEU 32 -7.137 14.599 3.853 223 HD22 LEU 32 1HD2 LEU 32 -6.243 13.652 5.041 224 HD23 LEU 32 2HD2 LEU 32 -7.577 12.916 4.151 225 H SER 33 H SER 33 -2.506 9.564 4.466 226 HA SER 33 HA SER 33 -4.044 7.118 3.907 227 HB2 SER 33 1HB SER 33 -1.535 7.754 3.045 228 HB3 SER 33 2HB SER 33 -1.166 6.853 4.515 229 HG SER 33 HG SER 33 -1.333 5.310 2.999 230 HA PRO 34 HA PRO 34 -4.190 6.619 8.338 231 HB2 PRO 34 1HB PRO 34 -5.607 4.346 8.428 232 HB3 PRO 34 2HB PRO 34 -6.335 5.873 7.920 233 HG2 PRO 34 1HG PRO 34 -5.387 3.580 6.255 234 HG3 PRO 34 2HG PRO 34 -6.827 4.592 6.054 235 HD2 PRO 34 1HD PRO 34 -4.465 4.908 4.648 236 HD3 PRO 34 2HD PRO 34 -5.683 6.178 4.880 237 H HIS 35 H HIS 35 -3.069 3.991 6.227 238 HA HIS 35 HA HIS 35 -1.859 2.522 8.389 239 HB2 HIS 35 1HB HIS 35 -2.772 1.708 6.026 240 HB3 HIS 35 2HB HIS 35 -1.110 2.020 5.542 241 HD1 HIS 35 HD1 HIS 35 -2.055 0.558 8.896 242 HD2 HIS 35 HD2 HIS 35 -0.373 -0.625 5.283 243 HE1 HIS 35 HE1 HIS 35 -1.202 -1.775 9.282 244 HE2 HIS 35 HE2 HIS 35 -0.160 -2.459 7.093 245 H GLU 36 H GLU 36 -0.695 4.604 5.754 246 HA GLU 36 HA GLU 36 1.343 5.521 5.297 247 HB2 GLU 36 1HB GLU 36 1.464 5.698 8.314 248 HB3 GLU 36 2HB GLU 36 2.421 6.651 7.190 249 HG2 GLU 36 1HG GLU 36 -0.511 6.784 6.866 250 HG3 GLU 36 2HG GLU 36 0.159 7.522 8.317 251 H VAL 37 H VAL 37 1.919 3.206 4.648 252 HA VAL 37 HA VAL 37 4.303 2.373 6.174 253 HB VAL 37 HB VAL 37 3.831 0.023 5.496 254 HG11 VAL 37 1HG1 VAL 37 3.198 1.020 7.725 255 HG12 VAL 37 2HG1 VAL 37 2.298 -0.419 7.248 256 HG13 VAL 37 3HG1 VAL 37 1.557 1.174 7.096 257 HG21 VAL 37 3HG2 VAL 37 1.149 1.137 4.674 258 HG22 VAL 37 1HG2 VAL 37 1.572 -0.572 4.763 259 HG23 VAL 37 2HG2 VAL 37 2.373 0.475 3.591 260 H THR 38 H THR 38 6.045 1.534 4.980 261 HA THR 38 HA THR 38 6.202 2.537 2.262 262 HB THR 38 HB THR 38 8.086 2.959 3.733 263 HG1 THR 38 HG1 THR 38 9.676 2.300 2.354 264 HG21 THR 38 3HG2 THR 38 9.602 0.928 4.234 265 HG22 THR 38 1HG2 THR 38 8.107 -0.001 4.107 266 HG23 THR 38 2HG2 THR 38 8.248 1.284 5.305 267 H VAL 39 H VAL 39 6.371 1.345 0.419 268 HA VAL 39 HA VAL 39 5.755 -1.510 0.673 269 HB VAL 39 HB VAL 39 5.098 -1.409 -1.701 270 HG11 VAL 39 1HG1 VAL 39 3.207 0.362 -1.318 271 HG12 VAL 39 2HG1 VAL 39 3.853 0.392 0.322 272 HG13 VAL 39 3HG1 VAL 39 3.255 -1.118 -0.361 273 HG21 VAL 39 3HG2 VAL 39 4.939 0.726 -2.867 274 HG22 VAL 39 1HG2 VAL 39 6.611 0.380 -2.429 275 HG23 VAL 39 2HG2 VAL 39 5.677 1.548 -1.491 276 H LEU 40 H LEU 40 7.128 -3.072 0.068 277 HA LEU 40 HA LEU 40 9.707 -2.257 -1.080 278 HB2 LEU 40 1HB LEU 40 8.848 -4.419 0.766 279 HB3 LEU 40 2HB LEU 40 10.172 -4.781 -0.327 280 HG LEU 40 HG LEU 40 11.042 -4.054 1.805 281 HD11 LEU 40 1HD1 LEU 40 12.588 -2.449 1.062 282 HD12 LEU 40 2HD1 LEU 40 11.440 -1.750 -0.081 283 HD13 LEU 40 3HD1 LEU 40 12.125 -3.347 -0.384 284 HD21 LEU 40 3HD2 LEU 40 9.075 -2.735 2.502 285 HD22 LEU 40 1HD2 LEU 40 9.549 -1.470 1.367 286 HD23 LEU 40 2HD2 LEU 40 10.594 -1.870 2.731 287 H VAL 41 H VAL 41 10.662 -3.478 -2.771 288 HA VAL 41 HA VAL 41 8.747 -5.064 -4.356 289 HB VAL 41 HB VAL 41 11.037 -3.401 -5.430 290 HG11 VAL 41 1HG1 VAL 41 10.542 -4.146 -7.488 291 HG12 VAL 41 2HG1 VAL 41 8.806 -4.177 -7.179 292 HG13 VAL 41 3HG1 VAL 41 9.825 -5.505 -6.624 293 HG21 VAL 41 3HG2 VAL 41 9.708 -1.605 -5.687 294 HG22 VAL 41 1HG2 VAL 41 8.787 -2.329 -4.371 295 HG23 VAL 41 2HG2 VAL 41 8.279 -2.578 -6.040 296 H ASP 42 H ASP 42 9.457 -7.020 -5.143 297 HA ASP 42 HA ASP 42 11.396 -8.466 -3.849 298 HB2 ASP 42 1HB ASP 42 11.229 -10.091 -5.631 299 HB3 ASP 42 2HB ASP 42 9.645 -9.384 -5.357 300 H GLY 43 H GLY 43 13.535 -8.411 -3.788 301 HA2 GLY 43 1HA GLY 43 15.226 -6.578 -4.732 302 HA3 GLY 43 2HA GLY 43 15.732 -8.240 -4.511 303 H ARG 44 H ARG 44 14.438 -5.933 -6.855 304 HA ARG 44 HA ARG 44 15.710 -7.524 -8.995 305 HB2 ARG 44 1HB ARG 44 13.937 -6.869 -10.524 306 HB3 ARG 44 2HB ARG 44 13.256 -7.689 -9.126 307 HG2 ARG 44 1HG ARG 44 12.560 -5.579 -8.183 308 HG3 ARG 44 2HG ARG 44 13.342 -4.702 -9.497 309 HD2 ARG 44 1HD ARG 44 11.828 -5.820 -11.095 310 HD3 ARG 44 2HD ARG 44 11.016 -6.606 -9.740 311 HE ARG 44 HE ARG 44 11.082 -3.769 -9.445 312 HH11 ARG 44 1HH1 ARG 44 9.411 -6.364 -11.093 313 HH12 ARG 44 2HH1 ARG 44 7.926 -5.485 -11.231 314 HH21 ARG 44 1HH2 ARG 44 9.124 -2.616 -9.623 315 HH22 ARG 44 2HH2 ARG 44 7.762 -3.355 -10.395 316 HA PRO 45 HA PRO 45 17.929 -3.810 -9.967 317 HB2 PRO 45 1HB PRO 45 18.685 -4.371 -12.504 318 HB3 PRO 45 2HB PRO 45 19.393 -5.176 -11.100 319 HG2 PRO 45 1HG PRO 45 17.276 -6.147 -12.974 320 HG3 PRO 45 2HG PRO 45 18.644 -7.029 -12.277 321 HD2 PRO 45 1HD PRO 45 16.095 -7.216 -11.324 322 HD3 PRO 45 2HD PRO 45 17.536 -7.443 -10.311 323 H VAL 46 H VAL 46 15.556 -4.938 -12.367 324 HA VAL 46 HA VAL 46 14.718 -2.157 -12.789 325 HB VAL 46 HB VAL 46 14.405 -2.606 -15.212 326 HG11 VAL 46 1HG1 VAL 46 16.498 -1.560 -14.124 327 HG12 VAL 46 2HG1 VAL 46 16.573 -2.047 -15.818 328 HG13 VAL 46 3HG1 VAL 46 17.292 -3.070 -14.575 329 HG21 VAL 46 3HG2 VAL 46 14.327 -4.817 -15.692 330 HG22 VAL 46 1HG2 VAL 46 15.462 -5.250 -14.416 331 HG23 VAL 46 2HG2 VAL 46 16.058 -4.593 -15.939 332 HA PRO 47 HA PRO 47 10.657 -3.867 -12.403 333 HB2 PRO 47 1HB PRO 47 9.157 -2.075 -13.738 334 HB3 PRO 47 2HB PRO 47 9.975 -1.668 -12.225 335 HG2 PRO 47 1HG PRO 47 10.789 -1.060 -15.039 336 HG3 PRO 47 2HG PRO 47 10.841 -0.015 -13.608 337 HD2 PRO 47 1HD PRO 47 13.018 -1.343 -14.595 338 HD3 PRO 47 2HD PRO 47 12.832 -0.892 -12.890 339 H GLU 48 H GLU 48 11.914 -5.448 -14.165 340 HA GLU 48 HA GLU 48 10.806 -5.488 -16.781 341 HB2 GLU 48 1HB GLU 48 12.951 -6.586 -16.115 342 HB3 GLU 48 2HB GLU 48 12.018 -7.790 -15.239 343 HG2 GLU 48 1HG GLU 48 11.368 -8.862 -17.119 344 HG3 GLU 48 2HG GLU 48 11.320 -7.385 -18.082 345 H ASP 49 H ASP 49 9.794 -6.795 -13.698 346 HA ASP 49 HA ASP 49 7.707 -8.422 -14.900 347 HB2 ASP 49 1HB ASP 49 9.169 -8.937 -12.763 348 HB3 ASP 49 2HB ASP 49 7.919 -8.002 -11.951 349 H GLN 50 H GLN 50 7.734 -5.332 -14.905 350 HA GLN 50 HA GLN 50 5.630 -4.452 -13.237 351 HB2 GLN 50 1HB GLN 50 7.381 -3.281 -15.113 352 HB3 GLN 50 2HB GLN 50 5.759 -2.935 -15.691 353 HG2 GLN 50 1HG GLN 50 5.725 -2.429 -12.932 354 HG3 GLN 50 2HG GLN 50 7.223 -1.730 -13.547 355 HE21 GLN 50 2HE2 GLN 50 3.991 -1.186 -13.041 356 HE22 GLN 50 1HE2 GLN 50 3.767 0.152 -14.111 357 H SER 51 H SER 51 3.977 -5.987 -13.409 358 HA SER 51 HA SER 51 2.238 -5.606 -15.727 359 HB2 SER 51 1HB SER 51 3.679 -7.732 -15.947 360 HB3 SER 51 2HB SER 51 2.701 -8.376 -14.628 361 HG SER 51 HG SER 51 1.951 -7.711 -17.250 362 H VAL 52 H VAL 52 0.015 -6.329 -15.324 363 HA VAL 52 HA VAL 52 -1.896 -6.527 -14.096 364 HB VAL 52 HB VAL 52 -0.177 -7.054 -11.665 365 HG11 VAL 52 1HG1 VAL 52 -2.454 -8.518 -11.382 366 HG12 VAL 52 2HG1 VAL 52 -3.058 -7.085 -12.213 367 HG13 VAL 52 3HG1 VAL 52 -2.190 -6.919 -10.688 368 HG21 VAL 52 3HG2 VAL 52 -0.928 -9.506 -12.324 369 HG22 VAL 52 1HG2 VAL 52 0.547 -8.783 -12.968 370 HG23 VAL 52 2HG2 VAL 52 -0.921 -8.812 -13.945 371 H GLU 53 H GLU 53 -3.224 -5.037 -13.166 372 HA GLU 53 HA GLU 53 -2.338 -2.422 -12.767 373 HB2 GLU 53 1HB GLU 53 -4.579 -1.996 -11.778 374 HB3 GLU 53 2HB GLU 53 -4.652 -2.858 -13.309 375 HG2 GLU 53 1HG GLU 53 -4.664 -4.955 -11.660 376 HG3 GLU 53 2HG GLU 53 -5.369 -3.754 -10.581 377 H VAL 54 H VAL 54 -2.877 -5.023 -10.437 378 HA VAL 54 HA VAL 54 -1.896 -3.269 -8.288 379 HB VAL 54 HB VAL 54 -2.797 -4.939 -6.715 380 HG11 VAL 54 1HG1 VAL 54 -4.174 -3.047 -8.056 381 HG12 VAL 54 2HG1 VAL 54 -4.862 -4.033 -6.764 382 HG13 VAL 54 3HG1 VAL 54 -5.134 -4.474 -8.450 383 HG21 VAL 54 3HG2 VAL 54 -3.968 -6.858 -7.369 384 HG22 VAL 54 1HG2 VAL 54 -2.557 -6.840 -8.426 385 HG23 VAL 54 2HG2 VAL 54 -4.124 -6.307 -9.036 386 H ASP 55 H ASP 55 -0.447 -4.280 -6.670 387 HA ASP 55 HA ASP 55 1.117 -6.555 -7.605 388 HB2 ASP 55 1HB ASP 55 2.008 -3.840 -7.905 389 HB3 ASP 55 2HB ASP 55 3.033 -4.655 -6.729 390 H ARG 56 H ARG 56 2.344 -7.573 -5.966 391 HA ARG 56 HA ARG 56 1.410 -6.930 -3.267 392 HB2 ARG 56 1HB ARG 56 1.826 -9.358 -4.643 393 HB3 ARG 56 2HB ARG 56 3.055 -9.295 -3.386 394 HG2 ARG 56 1HG ARG 56 1.559 -9.875 -1.863 395 HG3 ARG 56 2HG ARG 56 0.570 -8.470 -2.264 396 HD2 ARG 56 1HD ARG 56 -0.964 -9.798 -3.164 397 HD3 ARG 56 2HD ARG 56 0.224 -10.393 -4.322 398 HE ARG 56 HE ARG 56 0.372 -11.653 -1.735 399 HH11 ARG 56 1HH1 ARG 56 -1.159 -11.755 -4.888 400 HH12 ARG 56 2HH1 ARG 56 -1.532 -13.441 -4.785 401 HH21 ARG 56 1HH2 ARG 56 -0.128 -13.876 -1.612 402 HH22 ARG 56 2HH2 ARG 56 -0.948 -14.644 -2.929 403 H VAL 57 H VAL 57 2.686 -6.091 -1.755 404 HA VAL 57 HA VAL 57 5.602 -6.145 -2.140 405 HB VAL 57 HB VAL 57 5.724 -3.778 -1.381 406 HG11 VAL 57 1HG1 VAL 57 5.661 -4.564 -3.827 407 HG12 VAL 57 2HG1 VAL 57 5.396 -2.852 -3.498 408 HG13 VAL 57 3HG1 VAL 57 4.026 -3.906 -3.850 409 HG21 VAL 57 3HG2 VAL 57 2.786 -4.117 -1.311 410 HG22 VAL 57 1HG2 VAL 57 3.395 -2.580 -1.921 411 HG23 VAL 57 2HG2 VAL 57 3.838 -3.124 -0.305 412 H LYS 58 H LYS 58 6.776 -5.419 -0.108 413 HA LYS 58 HA LYS 58 5.393 -6.539 2.243 414 HB2 LYS 58 1HB LYS 58 8.370 -6.126 1.975 415 HB3 LYS 58 2HB LYS 58 7.517 -7.138 3.131 416 HG2 LYS 58 1HG LYS 58 6.845 -8.014 0.508 417 HG3 LYS 58 2HG LYS 58 8.600 -7.854 0.619 418 HD2 LYS 58 1HD LYS 58 8.779 -9.474 2.235 419 HD3 LYS 58 2HD LYS 58 7.149 -9.195 2.851 420 HE2 LYS 58 1HE LYS 58 6.179 -10.323 0.970 421 HE3 LYS 58 2HE LYS 58 7.748 -10.448 0.176 422 HZ1 LYS 58 3HZ LYS 58 7.307 -12.539 1.130 423 HZ2 LYS 58 1HZ LYS 58 6.827 -11.869 2.609 424 HZ3 LYS 58 2HZ LYS 58 8.453 -11.818 2.143 425 H VAL 59 H VAL 59 5.133 -5.360 4.081 426 HA VAL 59 HA VAL 59 5.963 -2.546 3.953 427 HB VAL 59 HB VAL 59 4.310 -2.238 5.850 428 HG11 VAL 59 1HG1 VAL 59 3.723 -1.463 3.693 429 HG12 VAL 59 2HG1 VAL 59 2.332 -2.361 4.301 430 HG13 VAL 59 3HG1 VAL 59 3.407 -3.099 3.114 431 HG21 VAL 59 3HG2 VAL 59 3.269 -4.924 4.966 432 HG22 VAL 59 1HG2 VAL 59 2.646 -3.894 6.253 433 HG23 VAL 59 2HG2 VAL 59 4.215 -4.676 6.433 434 H LEU 60 H LEU 60 7.255 -1.621 5.447 435 HA LEU 60 HA LEU 60 8.485 -3.422 7.408 436 HB2 LEU 60 1HB LEU 60 9.712 -1.908 5.605 437 HB3 LEU 60 2HB LEU 60 9.559 -0.697 6.864 438 HG LEU 60 HG LEU 60 10.760 -3.370 7.496 439 HD11 LEU 60 1HD1 LEU 60 12.958 -1.901 7.104 440 HD12 LEU 60 2HD1 LEU 60 11.932 -1.220 5.843 441 HD13 LEU 60 3HD1 LEU 60 12.268 -2.952 5.867 442 HD21 LEU 60 3HD2 LEU 60 12.118 -1.548 8.919 443 HD22 LEU 60 1HD2 LEU 60 10.620 -2.291 9.477 444 HD23 LEU 60 2HD2 LEU 60 10.587 -0.693 8.732 445 H ARG 61 H ARG 61 7.672 -3.346 9.395 446 HA ARG 61 HA ARG 61 6.936 -0.719 10.508 447 HB2 ARG 61 1HB ARG 61 4.954 -2.181 9.997 448 HB3 ARG 61 2HB ARG 61 5.570 -3.335 11.173 449 HG2 ARG 61 1HG ARG 61 5.191 -1.882 12.970 450 HG3 ARG 61 2HG ARG 61 5.018 -0.482 11.911 451 HD2 ARG 61 1HD ARG 61 2.851 -0.934 11.450 452 HD3 ARG 61 2HD ARG 61 3.106 -2.678 11.445 453 HE ARG 61 HE ARG 61 2.386 -2.724 13.599 454 HH11 ARG 61 1HH1 ARG 61 3.483 0.537 12.921 455 HH12 ARG 61 2HH1 ARG 61 3.024 1.147 14.474 456 HH21 ARG 61 1HH2 ARG 61 1.784 -1.910 15.644 457 HH22 ARG 61 2HH2 ARG 61 2.058 -0.242 16.021 458 H LEU 62 H LEU 62 9.440 -1.324 10.873 459 HA LEU 62 HA LEU 62 9.621 -1.948 13.706 460 HB2 LEU 62 1HB LEU 62 10.088 -3.996 12.019 461 HB3 LEU 62 2HB LEU 62 11.688 -3.281 12.050 462 HG LEU 62 HG LEU 62 11.359 -3.392 14.659 463 HD11 LEU 62 1HD1 LEU 62 8.946 -4.371 14.030 464 HD12 LEU 62 2HD1 LEU 62 9.814 -4.806 15.503 465 HD13 LEU 62 3HD1 LEU 62 9.862 -5.875 14.102 466 HD21 LEU 62 3HD2 LEU 62 12.219 -5.811 14.532 467 HD22 LEU 62 1HD2 LEU 62 13.156 -4.548 13.734 468 HD23 LEU 62 2HD2 LEU 62 12.114 -5.605 12.783 469 H ILE 63 H ILE 63 9.894 0.473 12.175 470 HA ILE 63 HA ILE 63 12.735 1.088 12.672 471 HB ILE 63 HB ILE 63 12.549 2.871 10.946 472 HG12 ILE 63 1HG1 ILE 63 10.207 1.615 9.664 473 HG13 ILE 63 2HG1 ILE 63 9.847 2.509 11.136 474 HG21 ILE 63 1HG2 ILE 63 12.344 1.171 8.976 475 HG22 ILE 63 2HG2 ILE 63 12.269 -0.019 10.274 476 HG23 ILE 63 3HG2 ILE 63 13.670 1.041 10.131 477 HD11 ILE 63 3HD1 ILE 63 9.575 3.970 9.276 478 HD12 ILE 63 1HD1 ILE 63 11.173 3.557 8.651 479 HD13 ILE 63 2HD1 ILE 63 11.022 4.468 10.153 480 H LYS 64 H LYS 64 12.978 3.620 12.857 481 HA LYS 64 HA LYS 64 10.768 4.755 14.415 482 HB2 LYS 64 1HB LYS 64 13.242 3.812 15.513 483 HB3 LYS 64 2HB LYS 64 13.178 5.562 15.682 484 HG2 LYS 64 1HG LYS 64 10.693 4.210 16.422 485 HG3 LYS 64 2HG LYS 64 12.082 3.760 17.412 486 HD2 LYS 64 1HD LYS 64 12.528 6.196 17.753 487 HD3 LYS 64 2HD LYS 64 11.011 6.537 16.918 488 HE2 LYS 64 1HE LYS 64 9.931 4.987 18.649 489 HE3 LYS 64 2HE LYS 64 11.438 5.151 19.549 490 HZ1 LYS 64 3HZ LYS 64 9.333 7.114 19.073 491 HZ2 LYS 64 1HZ LYS 64 10.923 7.698 19.103 492 HZ3 LYS 64 2HZ LYS 64 10.296 6.873 20.440 493 H GLY 65 H GLY 65 11.395 7.140 15.028 494 HA2 GLY 65 1HA GLY 65 12.637 9.108 14.314 495 HA3 GLY 65 2HA GLY 65 12.762 8.381 12.722 496 H GLY 66 H GLY 66 9.951 7.511 12.692 497 HA2 GLY 66 1HA GLY 66 7.777 8.567 12.751 498 HA3 GLY 66 2HA GLY 66 8.579 10.119 12.574
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