NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25366 | 2k87 | 15723 | 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 H MET 1 -19.385 -24.925 8.998 2 HA MET 1 HA MET 1 -21.122 -23.409 7.143 3 HB2 MET 1 1HB MET 1 -21.014 -23.190 10.192 4 HB3 MET 1 2HB MET 1 -21.813 -22.041 9.110 5 HG2 MET 1 1HG MET 1 -22.556 -24.940 9.593 6 HG3 MET 1 2HG MET 1 -23.505 -23.491 9.928 7 HE1 MET 1 3HE MET 1 -25.791 -24.942 7.184 8 HE2 MET 1 1HE MET 1 -25.030 -25.762 8.566 9 HE3 MET 1 2HE MET 1 -25.698 -24.122 8.757 10 H TYR 2 H TYR 2 -20.027 -21.811 6.184 11 HA TYR 2 HA TYR 2 -18.314 -20.051 7.553 12 HB2 TYR 2 1HB TYR 2 -16.760 -22.052 7.071 13 HB3 TYR 2 2HB TYR 2 -17.065 -21.787 5.362 14 HD1 TYR 2 2HD TYR 2 -16.143 -19.722 8.403 15 HD2 TYR 2 1HD TYR 2 -15.252 -20.726 4.308 16 HE1 TYR 2 2HE TYR 2 -14.368 -18.009 8.377 17 HE2 TYR 2 1HE TYR 2 -13.533 -18.965 4.237 18 HH TYR 2 HH TYR 2 -12.204 -17.432 5.647 19 H THR 3 H THR 3 -17.918 -18.205 5.940 20 HA THR 3 HA THR 3 -19.577 -18.476 3.477 21 HB THR 3 HB THR 3 -19.424 -15.893 5.050 22 HG1 THR 3 1HG THR 3 -21.227 -16.427 6.180 23 HG21 THR 3 3HG2 THR 3 -21.617 -17.148 3.324 24 HG22 THR 3 1HG2 THR 3 -21.729 -15.571 4.126 25 HG23 THR 3 2HG2 THR 3 -20.563 -15.812 2.832 26 H GLU 4 H GLU 4 -16.514 -18.354 4.172 27 HA GLU 4 HA GLU 4 -14.626 -17.176 3.587 28 HB2 GLU 4 1HB GLU 4 -15.980 -17.763 0.964 29 HB3 GLU 4 2HB GLU 4 -14.260 -17.534 1.235 30 HG2 GLU 4 1HG GLU 4 -14.037 -19.661 2.260 31 HG3 GLU 4 2HG GLU 4 -15.799 -19.829 2.424 32 H GLN 5 H GLN 5 -16.042 -15.119 4.517 33 HA GLN 5 HA GLN 5 -16.507 -13.170 2.348 34 HB2 GLN 5 1HB GLN 5 -17.114 -13.254 5.321 35 HB3 GLN 5 2HB GLN 5 -17.258 -11.752 4.390 36 HG2 GLN 5 1HG GLN 5 -18.717 -12.871 2.747 37 HG3 GLN 5 2HG GLN 5 -18.633 -14.368 3.668 38 HE21 GLN 5 1HE2 GLN 5 -21.027 -12.764 2.937 39 HE22 GLN 5 2HE2 GLN 5 -21.762 -12.404 4.498 40 HA PRO 6 HA PRO 6 -12.652 -11.211 2.897 41 HB2 PRO 6 1HB PRO 6 -13.089 -8.620 2.161 42 HB3 PRO 6 2HB PRO 6 -13.276 -9.958 0.987 43 HG2 PRO 6 1HG PRO 6 -15.431 -8.587 2.630 44 HG3 PRO 6 2HG PRO 6 -15.431 -8.903 0.865 45 HD2 PRO 6 1HD PRO 6 -16.681 -10.568 2.623 46 HD3 PRO 6 2HD PRO 6 -15.843 -11.211 1.182 47 H ILE 7 H ILE 7 -11.380 -9.659 3.943 48 HA ILE 7 HA ILE 7 -12.301 -9.323 6.658 49 HB ILE 7 HB ILE 7 -9.687 -8.498 5.337 50 HG12 ILE 7 1HG1 ILE 7 -10.122 -10.938 7.124 51 HG13 ILE 7 2HG1 ILE 7 -10.163 -11.036 5.371 52 HG21 ILE 7 1HG2 ILE 7 -10.102 -8.947 8.314 53 HG22 ILE 7 2HG2 ILE 7 -8.831 -8.030 7.456 54 HG23 ILE 7 3HG2 ILE 7 -10.460 -7.381 7.591 55 HD11 ILE 7 3HD1 ILE 7 -7.767 -10.068 6.966 56 HD12 ILE 7 1HD1 ILE 7 -7.947 -11.652 6.211 57 HD13 ILE 7 2HD1 ILE 7 -7.865 -10.206 5.195 58 H ASP 8 H ASP 8 -13.979 -7.918 6.398 59 HA ASP 8 HA ASP 8 -15.271 -6.325 5.434 60 HB2 ASP 8 1HB ASP 8 -14.121 -5.724 7.889 61 HB3 ASP 8 2HB ASP 8 -13.961 -4.217 7.058 62 H LEU 9 H LEU 9 -13.258 -6.717 3.548 63 HA LEU 9 HA LEU 9 -11.749 -4.417 3.040 64 HB2 LEU 9 1HB LEU 9 -11.538 -7.075 2.543 65 HB3 LEU 9 2HB LEU 9 -12.130 -6.556 0.967 66 HG LEU 9 HG LEU 9 -9.547 -5.900 2.429 67 HD11 LEU 9 1HD1 LEU 9 -8.580 -6.797 0.416 68 HD12 LEU 9 2HD1 LEU 9 -9.901 -7.889 0.915 69 HD13 LEU 9 3HD1 LEU 9 -10.160 -6.732 -0.409 70 HD21 LEU 9 3HD2 LEU 9 -8.943 -4.449 0.434 71 HD22 LEU 9 1HD2 LEU 9 -10.676 -4.355 0.064 72 HD23 LEU 9 2HD2 LEU 9 -10.036 -3.732 1.606 73 H VAL 10 H VAL 10 -12.041 -2.796 1.632 74 HA VAL 10 HA VAL 10 -14.463 -2.766 -0.063 75 HB VAL 10 HB VAL 10 -14.764 -0.329 0.786 76 HG11 VAL 10 1HG1 VAL 10 -15.812 -2.827 2.171 77 HG12 VAL 10 2HG1 VAL 10 -16.534 -1.211 2.297 78 HG13 VAL 10 3HG1 VAL 10 -16.491 -2.041 0.733 79 HG21 VAL 10 3HG2 VAL 10 -13.795 -1.692 3.326 80 HG22 VAL 10 1HG2 VAL 10 -12.947 -0.399 2.476 81 HG23 VAL 10 2HG2 VAL 10 -14.557 -0.109 3.186 82 HA PRO 11 HA PRO 11 -11.411 -1.042 -2.782 83 HB2 PRO 11 1HB PRO 11 -13.402 0.021 -4.525 84 HB3 PRO 11 2HB PRO 11 -12.348 -1.361 -4.811 85 HG2 PRO 11 1HG PRO 11 -15.160 -1.503 -4.361 86 HG3 PRO 11 2HG PRO 11 -14.000 -2.861 -4.309 87 HD2 PRO 11 1HD PRO 11 -15.246 -1.364 -2.054 88 HD3 PRO 11 2HD PRO 11 -14.586 -3.019 -2.115 89 H THR 12 H THR 12 -10.931 1.106 -3.687 90 HA THR 12 HA THR 12 -12.671 3.264 -3.070 91 HB THR 12 HB THR 12 -11.602 3.337 -0.987 92 HG1 THR 12 1HG THR 12 -10.219 5.370 -1.402 93 HG21 THR 12 3HG2 THR 12 -8.872 3.390 -2.317 94 HG22 THR 12 1HG2 THR 12 -9.242 3.616 -0.577 95 HG23 THR 12 2HG2 THR 12 -9.582 2.078 -1.336 96 H GLN 13 H GLN 13 -10.540 5.162 -3.804 97 HA GLN 13 HA GLN 13 -9.527 4.487 -6.413 98 HB2 GLN 13 1HB GLN 13 -11.963 6.253 -6.069 99 HB3 GLN 13 2HB GLN 13 -10.882 6.705 -7.270 100 HG2 GLN 13 1HG GLN 13 -11.366 5.003 -8.692 101 HG3 GLN 13 2HG GLN 13 -11.674 3.834 -7.427 102 HE21 GLN 13 1HE2 GLN 13 -13.813 3.687 -6.466 103 HE22 GLN 13 2HE2 GLN 13 -15.174 4.433 -7.247 104 HA PRO 14 HA PRO 14 -6.755 7.616 -5.014 105 HB2 PRO 14 1HB PRO 14 -5.888 8.875 -7.277 106 HB3 PRO 14 2HB PRO 14 -5.496 7.174 -6.889 107 HG2 PRO 14 1HG PRO 14 -7.678 8.255 -8.701 108 HG3 PRO 14 2HG PRO 14 -6.520 6.935 -9.037 109 HD2 PRO 14 1HD PRO 14 -9.113 6.483 -8.126 110 HD3 PRO 14 2HD PRO 14 -7.763 5.408 -7.689 111 H LEU 15 H LEU 15 -6.454 9.827 -4.571 112 HA LEU 15 HA LEU 15 -8.871 11.346 -4.372 113 HB2 LEU 15 1HB LEU 15 -5.952 11.635 -3.626 114 HB3 LEU 15 2HB LEU 15 -7.047 13.001 -3.473 115 HG LEU 15 HG LEU 15 -6.527 11.323 -1.492 116 HD11 LEU 15 1HD1 LEU 15 -7.878 13.371 -1.355 117 HD12 LEU 15 2HD1 LEU 15 -9.278 12.524 -2.060 118 HD13 LEU 15 3HD1 LEU 15 -8.658 12.085 -0.457 119 HD21 LEU 15 3HD2 LEU 15 -8.997 9.964 -2.621 120 HD22 LEU 15 1HD2 LEU 15 -7.366 9.257 -2.444 121 HD23 LEU 15 2HD2 LEU 15 -8.289 9.732 -1.027 122 HA PRO 16 HA PRO 16 -8.455 13.796 -8.033 123 HB2 PRO 16 1HB PRO 16 -9.953 15.980 -7.365 124 HB3 PRO 16 2HB PRO 16 -10.698 14.370 -7.574 125 HG2 PRO 16 1HG PRO 16 -9.879 15.756 -5.010 126 HG3 PRO 16 2HG PRO 16 -11.388 14.864 -5.348 127 HD2 PRO 16 1HD PRO 16 -9.213 13.803 -4.041 128 HD3 PRO 16 2HD PRO 16 -10.366 12.817 -4.967 129 H ASN 17 H ASN 17 -7.056 15.341 -8.720 130 HA ASN 17 HA ASN 17 -5.188 16.521 -8.832 131 HB2 ASN 17 1HB ASN 17 -5.243 18.691 -8.273 132 HB3 ASN 17 2HB ASN 17 -6.951 18.309 -8.133 133 HD21 ASN 17 1HD2 ASN 17 -7.489 17.521 -5.700 134 HD22 ASN 17 2HD2 ASN 17 -7.009 18.739 -4.554 135 H ALA 18 H ALA 18 -5.356 14.514 -6.329 136 HA ALA 18 HA ALA 18 -3.294 15.483 -4.593 137 HB1 ALA 18 1HB ALA 18 -4.871 13.845 -3.829 138 HB2 ALA 18 2HB ALA 18 -4.404 12.719 -5.113 139 HB3 ALA 18 3HB ALA 18 -3.261 13.104 -3.804 140 H SER 19 H SER 19 -1.116 14.510 -4.319 141 HA SER 19 HA SER 19 0.285 13.716 -6.710 142 HB2 SER 19 1HB SER 19 1.686 15.924 -6.249 143 HB3 SER 19 2HB SER 19 0.288 15.930 -7.330 144 HG SER 19 HG SER 19 0.665 17.326 -5.017 145 H PHE 20 H PHE 20 2.391 13.184 -6.110 146 HA PHE 20 HA PHE 20 2.699 12.190 -3.524 147 HB2 PHE 20 1HB PHE 20 3.758 11.387 -5.716 148 HB3 PHE 20 2HB PHE 20 4.798 12.800 -5.680 149 HD1 PHE 20 1HD PHE 20 3.808 10.245 -3.055 150 HD2 PHE 20 2HD PHE 20 6.987 12.126 -5.292 151 HE1 PHE 20 1HE PHE 20 5.486 8.842 -1.882 152 HE2 PHE 20 2HE PHE 20 8.646 10.832 -4.036 153 HZ PHE 20 HZ PHE 20 7.897 9.164 -2.318 154 H ASP 21 H ASP 21 4.720 12.743 -2.090 155 HA ASP 21 HA ASP 21 5.143 15.651 -1.928 156 HB2 ASP 21 1HB ASP 21 3.142 14.924 -0.565 157 HB3 ASP 21 2HB ASP 21 4.186 13.876 0.373 158 H ASN 22 H ASN 22 6.471 14.997 0.778 159 HA ASN 22 HA ASN 22 8.750 13.300 -0.109 160 HB2 ASN 22 1HB ASN 22 8.772 15.965 1.265 161 HB3 ASN 22 2HB ASN 22 9.893 14.732 1.864 162 HD21 ASN 22 1HD2 ASN 22 11.867 15.208 1.106 163 HD22 ASN 22 2HD2 ASN 22 12.215 15.195 -0.599 164 H PHE 23 H PHE 23 6.098 12.581 1.254 165 HA PHE 23 HA PHE 23 6.938 11.621 3.883 166 HB2 PHE 23 1HB PHE 23 5.035 10.234 3.907 167 HB3 PHE 23 2HB PHE 23 4.514 11.786 3.293 168 HD1 PHE 23 2HD PHE 23 5.528 8.309 2.168 169 HD2 PHE 23 1HD PHE 23 3.097 11.786 1.387 170 HE1 PHE 23 2HE PHE 23 4.521 7.167 0.227 171 HE2 PHE 23 1HE PHE 23 1.986 10.583 -0.455 172 HZ PHE 23 HZ PHE 23 2.689 8.252 -1.046 173 H LYS 24 H LYS 24 7.646 9.528 4.332 174 HA LYS 24 HA LYS 24 8.496 7.777 2.096 175 HB2 LYS 24 1HB LYS 24 10.514 8.547 2.946 176 HB3 LYS 24 2HB LYS 24 9.948 8.640 4.618 177 HG2 LYS 24 1HG LYS 24 10.310 6.403 5.052 178 HG3 LYS 24 2HG LYS 24 10.179 5.939 3.338 179 HD2 LYS 24 1HD LYS 24 12.234 6.571 2.771 180 HD3 LYS 24 2HD LYS 24 12.461 7.731 4.089 181 HE2 LYS 24 1HE LYS 24 12.295 4.734 4.594 182 HE3 LYS 24 2HE LYS 24 13.778 5.470 3.990 183 HZ1 LYS 24 3HZ LYS 24 12.549 5.889 6.623 184 HZ2 LYS 24 1HZ LYS 24 14.066 5.527 6.247 185 HZ3 LYS 24 2HZ LYS 24 13.526 7.053 5.957 186 H LEU 25 H LEU 25 8.058 5.594 2.542 187 HA LEU 25 HA LEU 25 6.334 5.083 4.929 188 HB2 LEU 25 1HB LEU 25 5.505 3.079 3.567 189 HB3 LEU 25 2HB LEU 25 4.905 4.690 3.247 190 HG LEU 25 HG LEU 25 6.446 4.876 1.264 191 HD11 LEU 25 1HD1 LEU 25 6.771 1.873 1.717 192 HD12 LEU 25 2HD1 LEU 25 7.392 2.834 0.347 193 HD13 LEU 25 3HD1 LEU 25 8.058 3.074 1.940 194 HD21 LEU 25 3HD2 LEU 25 4.088 4.309 0.953 195 HD22 LEU 25 1HD2 LEU 25 5.125 3.515 -0.222 196 HD23 LEU 25 2HD2 LEU 25 4.464 2.581 1.142 197 H THR 26 H THR 26 6.668 3.056 5.972 198 HA THR 26 HA THR 26 9.342 1.829 5.663 199 HB THR 26 HB THR 26 9.796 2.151 8.004 200 HG1 THR 26 1HG THR 26 7.427 3.687 8.148 201 HG21 THR 26 3HG2 THR 26 10.055 4.553 8.240 202 HG22 THR 26 1HG2 THR 26 10.499 4.050 6.595 203 HG23 THR 26 2HG2 THR 26 8.950 4.867 6.905 204 H CYS 27 H CYS 27 9.389 -0.214 7.238 205 HA CYS 27 HA CYS 27 7.026 -1.388 8.171 206 HB2 CYS 27 1HB CYS 27 6.435 -1.598 5.766 207 HB3 CYS 27 2HB CYS 27 7.981 -2.313 5.427 208 HG CYS 27 HG CYS 27 5.978 -4.072 5.275 209 H SER 28 H SER 28 7.635 -3.682 8.879 210 HA SER 28 HA SER 28 10.282 -3.820 9.949 211 HB2 SER 28 1HB SER 28 9.420 -6.341 10.196 212 HB3 SER 28 2HB SER 28 8.849 -5.024 11.210 213 HG SER 28 HG SER 28 6.963 -5.193 10.479 214 H ASN 29 H ASN 29 8.716 -5.441 7.142 215 HA ASN 29 HA ASN 29 11.251 -6.594 6.242 216 HB2 ASN 29 1HB ASN 29 9.099 -7.656 5.597 217 HB3 ASN 29 2HB ASN 29 8.668 -6.204 4.676 218 HD21 ASN 29 1HD2 ASN 29 10.921 -8.926 4.866 219 HD22 ASN 29 2HD2 ASN 29 11.447 -8.845 3.188 220 H THR 30 H THR 30 12.857 -5.174 5.667 221 HA THR 30 HA THR 30 12.396 -2.503 4.999 222 HB THR 30 HB THR 30 14.775 -2.454 4.311 223 HG1 THR 30 1HG THR 30 15.457 -4.176 3.467 224 HG21 THR 30 3HG2 THR 30 15.775 -3.163 6.431 225 HG22 THR 30 1HG2 THR 30 14.247 -2.337 6.711 226 HG23 THR 30 2HG2 THR 30 14.323 -4.102 6.843 227 H LYS 31 H LYS 31 13.071 -5.246 2.814 228 HA LYS 31 HA LYS 31 13.128 -3.946 0.354 229 HB2 LYS 31 1HB LYS 31 13.687 -6.212 0.272 230 HB3 LYS 31 2HB LYS 31 12.276 -6.718 1.175 231 HG2 LYS 31 1HG LYS 31 12.016 -7.465 -1.101 232 HG3 LYS 31 2HG LYS 31 10.801 -6.257 -0.771 233 HD2 LYS 31 1HD LYS 31 11.529 -5.598 -2.882 234 HD3 LYS 31 2HD LYS 31 12.529 -4.565 -1.865 235 HE2 LYS 31 1HE LYS 31 14.266 -5.382 -3.020 236 HE3 LYS 31 2HE LYS 31 14.110 -6.782 -1.977 237 HZ1 LYS 31 3HZ LYS 31 12.649 -7.757 -3.716 238 HZ2 LYS 31 1HZ LYS 31 12.921 -6.469 -4.672 239 HZ3 LYS 31 2HZ LYS 31 14.195 -7.440 -4.239 240 H PHE 32 H PHE 32 10.176 -5.155 2.065 241 HA PHE 32 HA PHE 32 8.363 -4.567 0.078 242 HB2 PHE 32 1HB PHE 32 7.963 -5.602 2.393 243 HB3 PHE 32 2HB PHE 32 7.833 -3.948 2.999 244 HD1 PHE 32 1HD PHE 32 6.573 -6.173 0.287 245 HD2 PHE 32 2HD PHE 32 5.571 -2.979 2.976 246 HE1 PHE 32 1HE PHE 32 4.237 -6.181 -0.595 247 HE2 PHE 32 2HE PHE 32 3.240 -3.020 2.130 248 HZ PHE 32 HZ PHE 32 2.574 -4.632 0.347 249 H ALA 33 H ALA 33 9.379 -2.268 2.639 250 HA ALA 33 HA ALA 33 7.823 -0.109 1.450 251 HB1 ALA 33 1HB ALA 33 8.997 1.246 3.217 252 HB2 ALA 33 2HB ALA 33 8.096 -0.159 3.840 253 HB3 ALA 33 3HB ALA 33 9.865 -0.232 3.688 254 H ASP 34 H ASP 34 11.098 -1.322 1.077 255 HA ASP 34 HA ASP 34 12.252 1.098 -0.019 256 HB2 ASP 34 1HB ASP 34 13.106 -1.657 0.502 257 HB3 ASP 34 2HB ASP 34 13.563 -1.207 -1.109 258 H ASP 35 H ASP 35 10.631 -1.731 -1.347 259 HA ASP 35 HA ASP 35 11.041 -1.104 -4.141 260 HB2 ASP 35 1HB ASP 35 10.650 -3.352 -3.060 261 HB3 ASP 35 2HB ASP 35 8.974 -2.864 -2.855 262 H LEU 36 H LEU 36 8.430 -0.595 -1.800 263 HA LEU 36 HA LEU 36 6.620 0.743 -3.600 264 HB2 LEU 36 1HB LEU 36 6.963 0.828 -0.587 265 HB3 LEU 36 2HB LEU 36 5.670 1.673 -1.444 266 HG LEU 36 HG LEU 36 6.088 -1.346 -1.467 267 HD11 LEU 36 1HD1 LEU 36 5.418 -0.515 0.755 268 HD12 LEU 36 2HD1 LEU 36 4.049 0.358 0.026 269 HD13 LEU 36 3HD1 LEU 36 4.103 -1.414 -0.013 270 HD21 LEU 36 3HD2 LEU 36 3.872 0.376 -2.616 271 HD22 LEU 36 1HD2 LEU 36 4.984 -0.704 -3.493 272 HD23 LEU 36 2HD2 LEU 36 3.792 -1.389 -2.400 273 H ASN 37 H ASN 37 9.197 2.047 -1.331 274 HA ASN 37 HA ASN 37 8.728 4.774 -2.008 275 HB2 ASN 37 1HB ASN 37 11.054 3.205 -0.853 276 HB3 ASN 37 2HB ASN 37 11.247 4.862 -1.275 277 HD21 ASN 37 1HD2 ASN 37 11.289 3.400 1.306 278 HD22 ASN 37 2HD2 ASN 37 10.053 4.122 2.344 279 H GLN 38 H GLN 38 10.386 2.168 -3.767 280 HA GLN 38 HA GLN 38 11.956 3.835 -5.499 281 HB2 GLN 38 1HB GLN 38 11.359 0.992 -5.065 282 HB3 GLN 38 2HB GLN 38 11.347 1.379 -6.762 283 HG2 GLN 38 1HG GLN 38 13.586 2.090 -4.814 284 HG3 GLN 38 2HG GLN 38 13.522 0.663 -5.864 285 HE21 GLN 38 1HE2 GLN 38 15.689 1.643 -6.377 286 HE22 GLN 38 2HE2 GLN 38 15.676 2.593 -7.863 287 H MET 39 H MET 39 8.761 2.148 -5.752 288 HA MET 39 HA MET 39 8.256 2.722 -8.408 289 HB2 MET 39 1HB MET 39 6.358 2.506 -6.036 290 HB3 MET 39 2HB MET 39 5.819 2.551 -7.720 291 HG2 MET 39 1HG MET 39 6.682 0.491 -8.243 292 HG3 MET 39 2HG MET 39 7.880 0.536 -6.961 293 HE1 MET 39 3HE MET 39 3.705 0.548 -5.276 294 HE2 MET 39 1HE MET 39 4.231 1.549 -6.624 295 HE3 MET 39 2HE MET 39 3.534 -0.051 -6.938 296 H THR 40 H THR 40 7.481 4.744 -5.560 297 HA THR 40 HA THR 40 6.447 6.831 -7.342 298 HB THR 40 HB THR 40 5.139 5.888 -5.513 299 HG1 THR 40 1HG THR 40 5.656 8.629 -5.210 300 HG21 THR 40 3HG2 THR 40 6.776 5.485 -3.794 301 HG22 THR 40 1HG2 THR 40 7.159 7.203 -3.671 302 HG23 THR 40 2HG2 THR 40 5.557 6.599 -3.171 303 H GLY 41 H GLY 41 9.561 6.231 -6.693 304 HA2 GLY 41 1HA GLY 41 11.357 7.597 -6.956 305 HA3 GLY 41 2HA GLY 41 10.214 8.847 -7.450 306 H PHE 42 H PHE 42 10.293 7.409 -4.210 307 HA PHE 42 HA PHE 42 10.178 9.849 -2.786 308 HB2 PHE 42 1HB PHE 42 9.587 7.953 -1.531 309 HB3 PHE 42 2HB PHE 42 10.951 7.029 -2.135 310 HD1 PHE 42 2HD PHE 42 10.438 10.210 -0.064 311 HD2 PHE 42 1HD PHE 42 12.703 6.565 -0.742 312 HE1 PHE 42 2HE PHE 42 11.954 10.817 1.701 313 HE2 PHE 42 1HE PHE 42 14.110 7.101 1.190 314 HZ PHE 42 HZ PHE 42 13.729 9.221 2.454 315 H THR 43 H THR 43 11.663 11.428 -2.268 316 HA THR 43 HA THR 43 14.552 10.841 -2.562 317 HB THR 43 HB THR 43 12.971 13.144 -3.727 318 HG1 THR 43 1HG THR 43 12.968 11.260 -4.991 319 HG21 THR 43 3HG2 THR 43 15.985 12.653 -3.729 320 HG22 THR 43 1HG2 THR 43 15.135 13.934 -4.622 321 HG23 THR 43 2HG2 THR 43 15.140 13.962 -2.859 322 H LYS 44 H LYS 44 15.599 11.422 -0.743 323 HA LYS 44 HA LYS 44 14.214 12.543 1.543 324 HB2 LYS 44 1HB LYS 44 16.935 11.450 0.857 325 HB3 LYS 44 2HB LYS 44 16.895 12.601 2.156 326 HG2 LYS 44 1HG LYS 44 14.835 11.050 2.952 327 HG3 LYS 44 2HG LYS 44 15.685 9.882 1.919 328 HD2 LYS 44 1HD LYS 44 16.236 9.596 4.222 329 HD3 LYS 44 2HD LYS 44 17.684 10.122 3.319 330 HE2 LYS 44 1HE LYS 44 17.264 12.464 4.183 331 HE3 LYS 44 2HE LYS 44 15.888 11.830 5.109 332 HZ1 LYS 44 3HZ LYS 44 18.738 11.230 5.486 333 HZ2 LYS 44 1HZ LYS 44 17.654 11.919 6.550 334 HZ3 LYS 44 2HZ LYS 44 17.584 10.319 6.173 335 HA PRO 45 HA PRO 45 15.557 13.607 3.368 336 HB2 PRO 45 1HB PRO 45 14.685 15.537 4.889 337 HB3 PRO 45 2HB PRO 45 16.344 15.619 4.243 338 HG2 PRO 45 1HG PRO 45 13.866 17.014 3.130 339 HG3 PRO 45 2HG PRO 45 15.474 17.728 3.445 340 HD2 PRO 45 1HD PRO 45 14.775 16.808 0.961 341 HD3 PRO 45 2HD PRO 45 16.437 16.599 1.586 342 H ALA 46 H ALA 46 13.915 12.412 4.354 343 HA ALA 46 HA ALA 46 11.357 12.687 3.096 344 HB1 ALA 46 1HB ALA 46 10.790 10.683 3.804 345 HB2 ALA 46 2HB ALA 46 12.543 10.493 3.896 346 HB3 ALA 46 3HB ALA 46 11.615 10.804 5.384 347 H SER 47 H SER 47 9.756 14.018 3.808 348 HA SER 47 HA SER 47 9.911 15.615 6.118 349 HB2 SER 47 1HB SER 47 7.549 14.898 4.331 350 HB3 SER 47 2HB SER 47 7.573 16.219 5.512 351 HG SER 47 HG SER 47 8.114 16.847 3.336 352 H ARG 48 H ARG 48 8.340 12.445 5.635 353 HA ARG 48 HA ARG 48 8.072 12.189 8.507 354 HB2 ARG 48 1HB ARG 48 5.697 11.570 8.483 355 HB3 ARG 48 2HB ARG 48 5.908 13.265 8.044 356 HG2 ARG 48 1HG ARG 48 5.491 12.826 5.709 357 HG3 ARG 48 2HG ARG 48 5.676 11.091 5.937 358 HD2 ARG 48 1HD ARG 48 3.512 10.912 6.105 359 HD3 ARG 48 2HD ARG 48 3.580 11.668 7.682 360 HE ARG 48 HE ARG 48 2.871 12.878 5.064 361 HH11 ARG 48 2HH2 ARG 48 2.931 13.371 8.607 362 HH12 ARG 48 1HH2 ARG 48 1.836 14.703 8.537 363 HH21 ARG 48 2HH1 ARG 48 1.410 14.478 5.006 364 HH22 ARG 48 1HH1 ARG 48 0.683 15.078 6.465 365 H GLU 49 H GLU 49 7.341 9.986 9.048 366 HA GLU 49 HA GLU 49 8.054 7.923 7.019 367 HB2 GLU 49 1HB GLU 49 8.955 8.269 9.876 368 HB3 GLU 49 2HB GLU 49 9.023 6.701 9.039 369 HG2 GLU 49 1HG GLU 49 10.601 7.499 7.439 370 HG3 GLU 49 2HG GLU 49 10.350 9.179 7.909 371 H LEU 50 H LEU 50 6.035 7.316 6.645 372 HA LEU 50 HA LEU 50 4.131 6.514 8.829 373 HB2 LEU 50 1HB LEU 50 3.937 5.766 5.905 374 HB3 LEU 50 2HB LEU 50 2.663 5.752 7.111 375 HG LEU 50 HG LEU 50 3.884 8.169 5.756 376 HD11 LEU 50 1HD1 LEU 50 2.160 6.559 4.604 377 HD12 LEU 50 2HD1 LEU 50 0.981 7.285 5.676 378 HD13 LEU 50 3HD1 LEU 50 1.880 8.311 4.528 379 HD21 LEU 50 3HD2 LEU 50 1.742 8.026 7.924 380 HD22 LEU 50 1HD2 LEU 50 3.324 8.831 8.035 381 HD23 LEU 50 2HD2 LEU 50 2.084 9.456 6.934 382 H SER 51 H SER 51 3.447 4.200 8.757 383 HA SER 51 HA SER 51 5.644 2.326 7.994 384 HB2 SER 51 1HB SER 51 4.107 2.498 10.603 385 HB3 SER 51 2HB SER 51 5.207 1.161 10.168 386 HG SER 51 HG SER 51 6.863 2.853 9.984 387 H VAL 52 H VAL 52 4.991 0.143 7.601 388 HA VAL 52 HA VAL 52 2.088 -0.218 7.229 389 HB VAL 52 HB VAL 52 4.418 -1.262 5.608 390 HG11 VAL 52 1HG1 VAL 52 2.524 -2.834 5.540 391 HG12 VAL 52 2HG1 VAL 52 1.398 -1.504 5.180 392 HG13 VAL 52 3HG1 VAL 52 2.628 -1.998 3.999 393 HG21 VAL 52 3HG2 VAL 52 3.675 0.147 3.757 394 HG22 VAL 52 1HG2 VAL 52 2.429 0.875 4.807 395 HG23 VAL 52 2HG2 VAL 52 4.156 1.122 5.128 396 H THR 53 H THR 53 1.345 -2.355 7.820 397 HA THR 53 HA THR 53 3.348 -4.209 8.895 398 HB THR 53 HB THR 53 1.857 -4.699 10.789 399 HG1 THR 53 1HG THR 53 -0.028 -3.831 10.218 400 HG21 THR 53 3HG2 THR 53 2.458 -2.824 12.275 401 HG22 THR 53 1HG2 THR 53 3.818 -3.291 11.231 402 HG23 THR 53 2HG2 THR 53 2.882 -1.835 10.868 403 H PHE 54 H PHE 54 2.625 -6.427 8.751 404 HA PHE 54 HA PHE 54 0.734 -6.863 6.535 405 HB2 PHE 54 1HB PHE 54 2.655 -8.732 7.987 406 HB3 PHE 54 2HB PHE 54 1.715 -9.130 6.557 407 HD1 PHE 54 1HD PHE 54 2.047 -7.300 4.562 408 HD2 PHE 54 2HD PHE 54 4.950 -8.303 7.576 409 HE1 PHE 54 1HE PHE 54 3.866 -6.461 3.086 410 HE2 PHE 54 2HE PHE 54 6.755 -7.487 6.104 411 HZ PHE 54 HZ PHE 54 6.196 -6.532 3.850 412 H PHE 55 H PHE 55 -1.363 -7.678 6.925 413 HA PHE 55 HA PHE 55 -2.396 -7.749 9.403 414 HB2 PHE 55 1HB PHE 55 -3.293 -8.356 6.811 415 HB3 PHE 55 2HB PHE 55 -3.621 -9.822 7.688 416 HD1 PHE 55 1HD PHE 55 -3.923 -6.078 8.452 417 HD2 PHE 55 2HD PHE 55 -5.796 -9.972 8.462 418 HE1 PHE 55 1HE PHE 55 -5.979 -5.094 9.374 419 HE2 PHE 55 2HE PHE 55 -7.818 -8.973 9.451 420 HZ PHE 55 HZ PHE 55 -7.928 -6.549 9.914 421 HA PRO 56 HA PRO 56 -3.967 -8.664 10.671 422 HB2 PRO 56 1HB PRO 56 -4.468 -9.606 13.145 423 HB3 PRO 56 2HB PRO 56 -4.894 -10.582 11.706 424 HG2 PRO 56 1HG PRO 56 -2.323 -10.728 13.344 425 HG3 PRO 56 2HG PRO 56 -3.488 -12.038 13.015 426 HD2 PRO 56 1HD PRO 56 -1.271 -11.619 11.422 427 HD3 PRO 56 2HD PRO 56 -2.823 -12.148 10.708 428 H ASP 57 H ASP 57 -0.688 -8.343 11.136 429 HA ASP 57 HA ASP 57 -0.799 -6.605 13.487 430 HB2 ASP 57 1HB ASP 57 1.269 -6.978 11.263 431 HB3 ASP 57 2HB ASP 57 1.275 -5.700 12.438 432 H LEU 58 H LEU 58 -2.192 -4.873 13.238 433 HA LEU 58 HA LEU 58 -2.003 -3.301 10.719 434 HB2 LEU 58 1HB LEU 58 -4.311 -2.848 10.703 435 HB3 LEU 58 2HB LEU 58 -4.047 -4.574 10.663 436 HG LEU 58 HG LEU 58 -4.397 -3.760 13.438 437 HD11 LEU 58 1HD1 LEU 58 -6.709 -2.935 13.347 438 HD12 LEU 58 2HD1 LEU 58 -5.621 -1.813 12.484 439 HD13 LEU 58 3HD1 LEU 58 -6.663 -2.919 11.573 440 HD21 LEU 58 3HD2 LEU 58 -6.327 -5.303 11.670 441 HD22 LEU 58 1HD2 LEU 58 -4.848 -6.005 12.321 442 HD23 LEU 58 2HD2 LEU 58 -6.114 -5.412 13.422 443 H ASN 59 H ASN 59 -0.325 -2.809 12.841 444 HA ASN 59 HA ASN 59 -1.443 -0.445 14.259 445 HB2 ASN 59 1HB ASN 59 1.188 -1.965 14.538 446 HB3 ASN 59 2HB ASN 59 0.780 -0.502 15.398 447 HD21 ASN 59 1HD2 ASN 59 0.156 -3.824 15.010 448 HD22 ASN 59 2HD2 ASN 59 -1.037 -4.047 16.338 449 H GLY 60 H GLY 60 0.538 -1.389 11.595 450 HA2 GLY 60 1HA GLY 60 1.994 1.030 11.095 451 HA3 GLY 60 2HA GLY 60 1.360 -0.059 9.840 452 H ASP 61 H ASP 61 1.424 2.980 10.091 453 HA ASP 61 HA ASP 61 -1.096 4.140 10.344 454 HB2 ASP 61 1HB ASP 61 1.160 5.294 9.696 455 HB3 ASP 61 2HB ASP 61 0.830 4.788 8.070 456 H VAL 62 H VAL 62 0.226 2.186 7.813 457 HA VAL 62 HA VAL 62 -2.282 2.063 6.251 458 HB VAL 62 HB VAL 62 0.610 2.076 5.290 459 HG11 VAL 62 1HG1 VAL 62 -1.872 1.895 3.548 460 HG12 VAL 62 2HG1 VAL 62 -0.215 2.108 2.983 461 HG13 VAL 62 3HG1 VAL 62 -0.679 0.635 3.835 462 HG21 VAL 62 3HG2 VAL 62 0.098 4.224 4.130 463 HG22 VAL 62 1HG2 VAL 62 -1.471 4.265 4.955 464 HG23 VAL 62 2HG2 VAL 62 0.010 4.365 5.892 465 H VAL 63 H VAL 63 -2.519 -0.147 5.368 466 HA VAL 63 HA VAL 63 -0.922 -2.140 6.938 467 HB VAL 63 HB VAL 63 -3.887 -2.365 6.411 468 HG11 VAL 63 1HG1 VAL 63 -2.726 -4.395 7.239 469 HG12 VAL 63 2HG1 VAL 63 -1.988 -3.471 8.549 470 HG13 VAL 63 3HG1 VAL 63 -3.750 -3.747 8.501 471 HG21 VAL 63 3HG2 VAL 63 -2.667 -0.979 8.846 472 HG22 VAL 63 1HG2 VAL 63 -3.756 -0.242 7.652 473 HG23 VAL 63 2HG2 VAL 63 -4.360 -1.514 8.693 474 H ALA 64 H ALA 64 -1.341 -4.444 6.000 475 HA ALA 64 HA ALA 64 -1.615 -4.442 3.037 476 HB1 ALA 64 1HB ALA 64 0.168 -6.148 2.968 477 HB2 ALA 64 2HB ALA 64 0.779 -4.598 3.579 478 HB3 ALA 64 3HB ALA 64 0.436 -5.906 4.707 479 H ILE 65 H ILE 65 -2.382 -6.471 2.211 480 HA ILE 65 HA ILE 65 -3.747 -8.318 4.028 481 HB ILE 65 HB ILE 65 -4.919 -6.696 1.758 482 HG12 ILE 65 1HG1 ILE 65 -5.083 -5.797 4.090 483 HG13 ILE 65 2HG1 ILE 65 -6.611 -6.009 3.284 484 HG21 ILE 65 1HG2 ILE 65 -5.646 -8.915 1.213 485 HG22 ILE 65 2HG2 ILE 65 -6.124 -9.261 2.873 486 HG23 ILE 65 3HG2 ILE 65 -7.010 -8.049 1.915 487 HD11 ILE 65 3HD1 ILE 65 -5.484 -7.967 5.350 488 HD12 ILE 65 1HD1 ILE 65 -6.707 -6.733 5.670 489 HD13 ILE 65 2HD1 ILE 65 -7.088 -8.052 4.582 490 H ASP 66 H ASP 66 -4.179 -10.415 2.786 491 HA ASP 66 HA ASP 66 -1.876 -11.090 1.189 492 HB2 ASP 66 1HB ASP 66 -2.967 -13.341 1.225 493 HB3 ASP 66 2HB ASP 66 -2.362 -12.699 2.743 494 H TYR 67 H TYR 67 -1.822 -11.528 -0.905 495 HA TYR 67 HA TYR 67 -3.438 -10.107 -2.704 496 HB2 TYR 67 1HB TYR 67 -1.293 -10.562 -3.456 497 HB3 TYR 67 2HB TYR 67 -1.315 -12.210 -2.862 498 HD1 TYR 67 1HD TYR 67 -2.266 -14.056 -4.089 499 HD2 TYR 67 2HD TYR 67 -2.153 -10.088 -5.757 500 HE1 TYR 67 1HE TYR 67 -2.883 -14.984 -6.297 501 HE2 TYR 67 2HE TYR 67 -2.709 -11.014 -7.999 502 HH TYR 67 HH TYR 67 -3.591 -14.466 -8.437 503 H ARG 68 H ARG 68 -4.054 -13.286 -1.388 504 HA ARG 68 HA ARG 68 -5.765 -14.377 -3.366 505 HB2 ARG 68 1HB ARG 68 -6.602 -15.739 -1.531 506 HB3 ARG 68 2HB ARG 68 -4.859 -15.581 -1.447 507 HG2 ARG 68 1HG ARG 68 -5.137 -15.034 0.725 508 HG3 ARG 68 2HG ARG 68 -5.670 -13.460 0.161 509 HD2 ARG 68 1HD ARG 68 -8.040 -14.419 0.071 510 HD3 ARG 68 2HD ARG 68 -7.369 -15.842 0.899 511 HE ARG 68 HE ARG 68 -6.729 -13.272 2.140 512 HH11 ARG 68 2HH2 ARG 68 -8.983 -16.004 2.226 513 HH12 ARG 68 1HH2 ARG 68 -9.471 -15.729 3.863 514 HH21 ARG 68 2HH1 ARG 68 -7.263 -12.917 4.193 515 HH22 ARG 68 1HH1 ARG 68 -8.479 -13.820 5.050 516 H HIS 69 H HIS 69 -6.336 -11.578 -1.288 517 HA HIS 69 HA HIS 69 -9.247 -11.678 -1.836 518 HB2 HIS 69 1HB HIS 69 -7.438 -10.059 -0.060 519 HB3 HIS 69 2HB HIS 69 -8.954 -9.362 -0.586 520 HD1 HIS 69 1HD HIS 69 -9.952 -12.846 -0.084 521 HD2 HIS 69 2HD HIS 69 -8.992 -9.498 2.321 522 HE1 HIS 69 1HE HIS 69 -11.030 -13.221 2.165 523 H TYR 70 H TYR 70 -6.599 -10.709 -3.723 524 HA TYR 70 HA TYR 70 -7.599 -8.173 -4.613 525 HB2 TYR 70 1HB TYR 70 -5.234 -8.769 -4.749 526 HB3 TYR 70 2HB TYR 70 -5.608 -10.079 -5.858 527 HD1 TYR 70 1HD TYR 70 -7.499 -6.960 -6.511 528 HD2 TYR 70 2HD TYR 70 -3.856 -9.128 -7.285 529 HE1 TYR 70 1HE TYR 70 -7.027 -5.464 -8.377 530 HE2 TYR 70 2HE TYR 70 -3.399 -7.677 -9.236 531 HH TYR 70 HH TYR 70 -5.572 -4.952 -10.115 532 H SER 71 H SER 71 -9.859 -8.881 -4.923 533 HA SER 71 HA SER 71 -10.457 -10.059 -7.538 534 HB2 SER 71 1HB SER 71 -12.052 -10.086 -5.580 535 HB3 SER 71 2HB SER 71 -12.225 -8.333 -5.753 536 HG SER 71 HG SER 71 -13.789 -9.848 -6.853 537 H ALA 72 H ALA 72 -11.331 -8.850 -9.300 538 HA ALA 72 HA ALA 72 -10.065 -6.351 -9.930 539 HB1 ALA 72 1HB ALA 72 -11.499 -6.383 -11.925 540 HB2 ALA 72 2HB ALA 72 -10.745 -7.966 -11.662 541 HB3 ALA 72 3HB ALA 72 -12.449 -7.711 -11.243 542 H SER 73 H SER 73 -12.873 -6.953 -7.903 543 HA SER 73 HA SER 73 -14.254 -4.540 -8.126 544 HB2 SER 73 1HB SER 73 -13.398 -5.446 -5.387 545 HB3 SER 73 2HB SER 73 -14.998 -4.968 -5.959 546 HG SER 73 HG SER 73 -14.480 -7.271 -5.410 547 H PHE 74 H PHE 74 -11.110 -5.289 -6.647 548 HA PHE 74 HA PHE 74 -10.749 -2.608 -5.541 549 HB2 PHE 74 1HB PHE 74 -8.959 -5.046 -5.424 550 HB3 PHE 74 2HB PHE 74 -8.905 -3.649 -4.393 551 HD1 PHE 74 2HD PHE 74 -11.422 -3.156 -3.181 552 HD2 PHE 74 1HD PHE 74 -9.902 -6.966 -4.483 553 HE1 PHE 74 2HE PHE 74 -12.855 -4.354 -1.467 554 HE2 PHE 74 1HE PHE 74 -11.458 -8.104 -2.905 555 HZ PHE 74 HZ PHE 74 -12.915 -6.779 -1.417 556 H LYS 75 H LYS 75 -10.665 -3.052 -8.591 557 HA LYS 75 HA LYS 75 -8.014 -3.253 -9.525 558 HB2 LYS 75 1HB LYS 75 -9.333 -3.499 -11.335 559 HB3 LYS 75 2HB LYS 75 -10.662 -2.655 -10.576 560 HG2 LYS 75 1HG LYS 75 -10.247 -1.543 -12.575 561 HG3 LYS 75 2HG LYS 75 -9.776 -0.507 -11.269 562 HD2 LYS 75 1HD LYS 75 -7.957 -0.136 -12.648 563 HD3 LYS 75 2HD LYS 75 -7.333 -1.538 -11.777 564 HE2 LYS 75 1HE LYS 75 -6.959 -2.183 -13.925 565 HE3 LYS 75 2HE LYS 75 -8.529 -2.948 -13.592 566 HZ1 LYS 75 3HZ LYS 75 -9.522 -0.952 -14.732 567 HZ2 LYS 75 1HZ LYS 75 -7.977 -0.508 -15.133 568 HZ3 LYS 75 2HZ LYS 75 -8.575 -1.915 -15.705 569 H LYS 76 H LYS 76 -9.907 -0.342 -8.612 570 HA LYS 76 HA LYS 76 -7.524 1.335 -9.131 571 HB2 LYS 76 1HB LYS 76 -10.378 2.006 -8.445 572 HB3 LYS 76 2HB LYS 76 -9.079 3.193 -8.687 573 HG2 LYS 76 1HG LYS 76 -8.775 1.789 -10.995 574 HG3 LYS 76 2HG LYS 76 -10.468 1.388 -10.660 575 HD2 LYS 76 1HD LYS 76 -11.138 3.631 -10.624 576 HD3 LYS 76 2HD LYS 76 -9.500 4.261 -10.639 577 HE2 LYS 76 1HE LYS 76 -9.203 3.324 -12.949 578 HE3 LYS 76 2HE LYS 76 -10.872 2.766 -12.905 579 HZ1 LYS 76 3HZ LYS 76 -10.140 5.614 -12.525 580 HZ2 LYS 76 1HZ LYS 76 -10.569 4.947 -13.970 581 HZ3 LYS 76 2HZ LYS 76 -11.639 4.950 -12.733 582 H GLY 77 H GLY 77 -7.807 -0.659 -6.769 583 HA2 GLY 77 1HA GLY 77 -6.372 -0.584 -4.929 584 HA3 GLY 77 2HA GLY 77 -6.615 1.159 -4.784 585 H ALA 78 H ALA 78 -6.883 -0.295 -2.458 586 HA ALA 78 HA ALA 78 -9.761 -0.193 -1.886 587 HB1 ALA 78 1HB ALA 78 -9.316 -2.480 -2.666 588 HB2 ALA 78 2HB ALA 78 -7.996 -2.655 -1.494 589 HB3 ALA 78 3HB ALA 78 -9.679 -2.471 -0.947 590 H LYS 79 H LYS 79 -10.023 -0.833 0.525 591 HA LYS 79 HA LYS 79 -7.842 -0.153 2.310 592 HB2 LYS 79 1HB LYS 79 -9.345 1.596 3.370 593 HB3 LYS 79 2HB LYS 79 -8.578 2.081 1.855 594 HG2 LYS 79 1HG LYS 79 -10.576 2.029 0.633 595 HG3 LYS 79 2HG LYS 79 -11.304 0.850 1.684 596 HD2 LYS 79 1HD LYS 79 -10.959 3.082 3.365 597 HD3 LYS 79 2HD LYS 79 -11.366 3.766 1.793 598 HE2 LYS 79 1HE LYS 79 -13.509 3.341 2.334 599 HE3 LYS 79 2HE LYS 79 -13.138 1.660 1.912 600 HZ1 LYS 79 3HZ LYS 79 -12.965 2.837 4.663 601 HZ2 LYS 79 1HZ LYS 79 -14.138 1.857 4.145 602 HZ3 LYS 79 2HZ LYS 79 -12.610 1.282 4.300 603 H LEU 80 H LEU 80 -8.597 -0.554 4.510 604 HA LEU 80 HA LEU 80 -10.481 -2.765 4.766 605 HB2 LEU 80 1HB LEU 80 -7.986 -2.452 5.809 606 HB3 LEU 80 2HB LEU 80 -8.837 -1.488 7.014 607 HG LEU 80 HG LEU 80 -10.386 -3.583 7.248 608 HD11 LEU 80 1HD1 LEU 80 -9.721 -4.735 5.161 609 HD12 LEU 80 2HD1 LEU 80 -8.056 -4.867 5.759 610 HD13 LEU 80 3HD1 LEU 80 -9.390 -5.723 6.568 611 HD21 LEU 80 3HD2 LEU 80 -8.658 -2.970 8.922 612 HD22 LEU 80 1HD2 LEU 80 -8.837 -4.719 8.745 613 HD23 LEU 80 2HD2 LEU 80 -7.449 -3.885 7.997 614 H LEU 81 H LEU 81 -11.405 -2.172 7.249 615 HA LEU 81 HA LEU 81 -13.686 -0.789 7.059 616 HB2 LEU 81 1HB LEU 81 -12.465 -2.062 9.059 617 HB3 LEU 81 2HB LEU 81 -12.157 -0.451 9.615 618 HG LEU 81 HG LEU 81 -14.683 -0.013 9.313 619 HD11 LEU 81 1HD1 LEU 81 -15.196 -2.073 8.006 620 HD12 LEU 81 2HD1 LEU 81 -14.732 -3.063 9.406 621 HD13 LEU 81 3HD1 LEU 81 -16.141 -1.974 9.479 622 HD21 LEU 81 3HD2 LEU 81 -13.682 -1.930 11.451 623 HD22 LEU 81 1HD2 LEU 81 -13.610 -0.153 11.503 624 HD23 LEU 81 2HD2 LEU 81 -15.176 -0.967 11.538 625 H HIS 82 H HIS 82 -10.794 0.781 8.451 626 HA HIS 82 HA HIS 82 -11.630 3.301 7.084 627 HB2 HIS 82 1HB HIS 82 -11.436 4.649 9.020 628 HB3 HIS 82 2HB HIS 82 -12.582 3.357 9.329 629 HD1 HIS 82 1HD HIS 82 -10.155 5.123 11.157 630 HD2 HIS 82 2HD HIS 82 -11.246 1.103 10.683 631 HE1 HIS 82 1HE HIS 82 -9.199 3.900 13.183 632 H LYS 83 H LYS 83 -9.115 1.125 7.449 633 HA LYS 83 HA LYS 83 -7.110 3.283 7.063 634 HB2 LYS 83 1HB LYS 83 -6.863 0.463 8.187 635 HB3 LYS 83 2HB LYS 83 -5.485 1.435 7.667 636 HG2 LYS 83 1HG LYS 83 -6.837 3.291 9.196 637 HG3 LYS 83 2HG LYS 83 -7.300 1.824 10.005 638 HD2 LYS 83 1HD LYS 83 -4.423 2.530 9.298 639 HD3 LYS 83 2HD LYS 83 -5.167 2.991 10.819 640 HE2 LYS 83 1HE LYS 83 -5.692 0.512 11.167 641 HE3 LYS 83 2HE LYS 83 -4.561 0.208 9.846 642 HZ1 LYS 83 3HZ LYS 83 -2.805 1.218 11.032 643 HZ2 LYS 83 1HZ LYS 83 -3.744 1.855 12.173 644 HZ3 LYS 83 2HZ LYS 83 -3.513 0.217 12.111 645 HA PRO 84 HA PRO 84 -6.586 1.751 2.976 646 HB2 PRO 84 1HB PRO 84 -4.066 2.603 2.370 647 HB3 PRO 84 2HB PRO 84 -5.453 3.717 2.596 648 HG2 PRO 84 1HG PRO 84 -3.289 3.043 4.564 649 HG3 PRO 84 2HG PRO 84 -3.980 4.634 4.182 650 HD2 PRO 84 1HD PRO 84 -4.659 2.995 6.323 651 HD3 PRO 84 2HD PRO 84 -5.770 4.214 5.682 652 H ILE 85 H ILE 85 -5.481 0.066 1.749 653 HA ILE 85 HA ILE 85 -3.787 -1.747 3.349 654 HB ILE 85 HB ILE 85 -5.102 -3.685 2.890 655 HG12 ILE 85 1HG1 ILE 85 -7.507 -2.901 1.661 656 HG13 ILE 85 2HG1 ILE 85 -6.340 -1.988 0.761 657 HG21 ILE 85 1HG2 ILE 85 -5.764 -2.543 4.796 658 HG22 ILE 85 2HG2 ILE 85 -6.871 -1.524 3.889 659 HG23 ILE 85 3HG2 ILE 85 -7.158 -3.281 3.988 660 HD11 ILE 85 3HD1 ILE 85 -6.385 -5.002 1.140 661 HD12 ILE 85 1HD1 ILE 85 -6.671 -4.109 -0.355 662 HD13 ILE 85 2HD1 ILE 85 -5.048 -4.142 0.346 663 H VAL 86 H VAL 86 -2.644 -3.308 1.969 664 HA VAL 86 HA VAL 86 -2.585 -2.716 -0.924 665 HB VAL 86 HB VAL 86 -0.172 -2.937 -0.968 666 HG11 VAL 86 1HG1 VAL 86 -1.055 -0.640 0.828 667 HG12 VAL 86 2HG1 VAL 86 0.413 -0.707 -0.164 668 HG13 VAL 86 3HG1 VAL 86 -1.169 -0.709 -0.948 669 HG21 VAL 86 3HG2 VAL 86 -0.131 -2.728 2.052 670 HG22 VAL 86 1HG2 VAL 86 0.286 -4.171 1.100 671 HG23 VAL 86 2HG2 VAL 86 1.257 -2.698 0.964 672 H TRP 87 H TRP 87 -1.292 -4.535 -2.035 673 HA TRP 87 HA TRP 87 -2.038 -7.142 -0.834 674 HB2 TRP 87 1HB TRP 87 -0.944 -6.549 -3.607 675 HB3 TRP 87 2HB TRP 87 -1.677 -8.047 -3.036 676 HD1 TRP 87 HD TRP 87 -2.479 -5.086 -4.979 677 HE1 TRP 87 1HE TRP 87 -5.034 -4.709 -5.225 678 HE3 TRP 87 3HE TRP 87 -4.176 -8.148 -1.206 679 HZ2 TRP 87 2HZ TRP 87 -7.387 -5.405 -3.831 680 HZ3 TRP 87 3HZ TRP 87 -6.576 -8.175 -0.661 681 HH2 TRP 87 HH TRP 87 -8.206 -6.843 -1.971 682 H HIS 88 H HIS 88 -0.424 -8.388 0.048 683 HA HIS 88 HA HIS 88 2.374 -7.962 -0.872 684 HB2 HIS 88 1HB HIS 88 3.320 -8.037 1.194 685 HB3 HIS 88 2HB HIS 88 1.931 -7.010 1.513 686 HD1 HIS 88 1HD HIS 88 3.676 -9.779 3.058 687 HD2 HIS 88 2HD HIS 88 -0.309 -8.553 2.610 688 HE1 HIS 88 1HE HIS 88 2.340 -11.184 4.675 689 H ILE 89 H ILE 89 3.605 -9.858 -0.855 690 HA ILE 89 HA ILE 89 2.262 -12.462 -0.425 691 HB ILE 89 HB ILE 89 3.723 -11.575 -2.961 692 HG12 ILE 89 1HG1 ILE 89 0.887 -12.645 -2.642 693 HG13 ILE 89 2HG1 ILE 89 1.284 -10.939 -2.846 694 HG21 ILE 89 1HG2 ILE 89 4.431 -13.836 -2.295 695 HG22 ILE 89 2HG2 ILE 89 2.723 -14.350 -2.268 696 HG23 ILE 89 3HG2 ILE 89 3.486 -13.827 -3.785 697 HD11 ILE 89 3HD1 ILE 89 2.373 -11.498 -5.052 698 HD12 ILE 89 1HD1 ILE 89 1.667 -13.127 -4.891 699 HD13 ILE 89 2HD1 ILE 89 0.615 -11.721 -4.981 700 H ASN 90 H ASN 90 3.679 -13.505 0.949 701 HA ASN 90 HA ASN 90 5.566 -14.062 2.040 702 HB2 ASN 90 1HB ASN 90 7.388 -14.864 0.826 703 HB3 ASN 90 2HB ASN 90 5.921 -15.238 -0.037 704 HD21 ASN 90 1HD2 ASN 90 8.197 -12.423 -0.087 705 HD22 ASN 90 2HD2 ASN 90 8.415 -12.447 -1.831 706 H GLN 91 H GLN 91 4.868 -11.356 2.217 707 HA GLN 91 HA GLN 91 5.576 -9.442 3.200 708 HB2 GLN 91 1HB GLN 91 8.268 -10.725 3.694 709 HB3 GLN 91 2HB GLN 91 7.507 -9.406 4.577 710 HG2 GLN 91 1HG GLN 91 5.719 -10.937 5.365 711 HG3 GLN 91 2HG GLN 91 6.511 -12.290 4.533 712 HE21 GLN 91 1HE2 GLN 91 9.208 -12.085 5.104 713 HE22 GLN 91 2HE2 GLN 91 9.412 -12.007 6.843 714 H ALA 92 H ALA 92 6.127 -9.951 0.187 715 HA ALA 92 HA ALA 92 8.057 -7.734 -0.178 716 HB1 ALA 92 1HB ALA 92 7.984 -10.279 -1.841 717 HB2 ALA 92 2HB ALA 92 9.097 -8.910 -2.013 718 HB3 ALA 92 3HB ALA 92 9.194 -9.939 -0.575 719 H THR 93 H THR 93 7.870 -7.032 -2.554 720 HA THR 93 HA THR 93 5.120 -7.194 -3.607 721 HB THR 93 HB THR 93 5.020 -5.024 -3.581 722 HG1 THR 93 1HG THR 93 7.058 -4.247 -5.154 723 HG21 THR 93 3HG2 THR 93 7.985 -4.803 -2.997 724 HG22 THR 93 1HG2 THR 93 6.852 -3.430 -3.100 725 HG23 THR 93 2HG2 THR 93 6.636 -4.645 -1.846 726 H THR 94 H THR 94 5.045 -7.653 -5.871 727 HA THR 94 HA THR 94 7.538 -8.453 -7.184 728 HB THR 94 HB THR 94 6.451 -10.520 -8.015 729 HG1 THR 94 1HG THR 94 4.603 -11.302 -6.856 730 HG21 THR 94 3HG2 THR 94 6.473 -10.562 -4.967 731 HG22 THR 94 1HG2 THR 94 6.803 -11.890 -6.105 732 HG23 THR 94 2HG2 THR 94 7.941 -10.549 -5.975 733 H LYS 95 H LYS 95 6.995 -8.707 -9.604 734 HA LYS 95 HA LYS 95 5.922 -6.324 -10.481 735 HB2 LYS 95 1HB LYS 95 7.405 -8.128 -11.631 736 HB3 LYS 95 2HB LYS 95 5.905 -8.765 -12.288 737 HG2 LYS 95 1HG LYS 95 6.559 -5.801 -12.567 738 HG3 LYS 95 2HG LYS 95 7.440 -6.970 -13.525 739 HD2 LYS 95 1HD LYS 95 5.243 -7.861 -14.405 740 HD3 LYS 95 2HD LYS 95 4.443 -6.476 -13.614 741 HE2 LYS 95 1HE LYS 95 5.907 -4.916 -14.874 742 HE3 LYS 95 2HE LYS 95 6.774 -6.283 -15.583 743 HZ1 LYS 95 3HZ LYS 95 4.720 -6.932 -16.706 744 HZ2 LYS 95 1HZ LYS 95 3.922 -5.655 -16.080 745 HZ3 LYS 95 2HZ LYS 95 5.171 -5.413 -17.118 746 H THR 96 H THR 96 4.185 -9.344 -9.942 747 HA THR 96 HA THR 96 1.695 -8.809 -11.127 748 HB THR 96 HB THR 96 2.370 -10.354 -8.594 749 HG1 THR 96 1HG THR 96 2.593 -10.985 -11.343 750 HG21 THR 96 3HG2 THR 96 -0.076 -10.136 -8.995 751 HG22 THR 96 1HG2 THR 96 0.138 -10.811 -10.627 752 HG23 THR 96 2HG2 THR 96 0.497 -11.793 -9.187 753 H THR 97 H THR 97 2.774 -8.081 -7.686 754 HA THR 97 HA THR 97 0.208 -6.795 -7.128 755 HB THR 97 HB THR 97 1.334 -6.759 -4.814 756 HG1 THR 97 1HG THR 97 3.141 -8.218 -4.704 757 HG21 THR 97 3HG2 THR 97 1.151 -9.511 -6.145 758 HG22 THR 97 1HG2 THR 97 1.057 -9.165 -4.417 759 HG23 THR 97 2HG2 THR 97 -0.230 -8.590 -5.491 760 H PHE 98 H PHE 98 3.212 -5.836 -8.307 761 HA PHE 98 HA PHE 98 3.635 -3.315 -7.053 762 HB2 PHE 98 1HB PHE 98 5.517 -3.869 -8.147 763 HB3 PHE 98 2HB PHE 98 4.690 -4.891 -9.294 764 HD1 PHE 98 2HD PHE 98 5.150 -1.232 -8.615 765 HD2 PHE 98 1HD PHE 98 4.673 -4.339 -11.560 766 HE1 PHE 98 2HE PHE 98 5.813 0.360 -10.409 767 HE2 PHE 98 1HE PHE 98 5.383 -2.764 -13.336 768 HZ PHE 98 HZ PHE 98 5.999 -0.453 -12.763 769 H LYS 99 H LYS 99 2.210 -4.128 -10.215 770 HA LYS 99 HA LYS 99 1.370 -1.601 -10.997 771 HB2 LYS 99 1HB LYS 99 0.437 -4.381 -11.554 772 HB3 LYS 99 2HB LYS 99 -0.546 -3.060 -12.181 773 HG2 LYS 99 1HG LYS 99 2.396 -2.778 -12.705 774 HG3 LYS 99 2HG LYS 99 1.615 -4.111 -13.533 775 HD2 LYS 99 1HD LYS 99 -0.066 -2.601 -14.509 776 HD3 LYS 99 2HD LYS 99 0.647 -1.223 -13.643 777 HE2 LYS 99 1HE LYS 99 2.760 -1.515 -14.859 778 HE3 LYS 99 2HE LYS 99 2.127 -2.951 -15.683 779 HZ1 LYS 99 3HZ LYS 99 1.979 -0.997 -17.078 780 HZ2 LYS 99 1HZ LYS 99 0.458 -1.526 -16.722 781 HZ3 LYS 99 2HZ LYS 99 1.102 -0.199 -15.963 782 HA PRO 100 HA PRO 100 -2.804 -1.854 -8.751 783 HB2 PRO 100 1HB PRO 100 -3.142 -3.628 -6.677 784 HB3 PRO 100 2HB PRO 100 -3.625 -3.968 -8.362 785 HG2 PRO 100 1HG PRO 100 -1.165 -4.867 -6.922 786 HG3 PRO 100 2HG PRO 100 -2.203 -5.810 -8.015 787 HD2 PRO 100 1HD PRO 100 0.142 -4.725 -8.879 788 HD3 PRO 100 2HD PRO 100 -1.297 -4.809 -9.934 789 H ASN 101 H ASN 101 0.247 -2.584 -6.868 790 HA ASN 101 HA ASN 101 -0.611 -1.137 -4.569 791 HB2 ASN 101 1HB ASN 101 1.955 -2.267 -5.633 792 HB3 ASN 101 2HB ASN 101 2.132 -0.834 -4.698 793 HD21 ASN 101 1HD2 ASN 101 1.238 -4.190 -4.534 794 HD22 ASN 101 2HD2 ASN 101 1.201 -4.291 -2.773 795 H THR 102 H THR 102 0.879 0.044 -7.647 796 HA THR 102 HA THR 102 1.657 2.544 -6.681 797 HB THR 102 HB THR 102 1.735 3.350 -8.850 798 HG1 THR 102 1HG THR 102 -0.338 2.992 -9.688 799 HG21 THR 102 3HG2 THR 102 3.173 1.323 -8.610 800 HG22 THR 102 1HG2 THR 102 1.863 0.394 -9.416 801 HG23 THR 102 2HG2 THR 102 2.696 1.728 -10.251 802 H TRP 103 H TRP 103 -1.563 1.442 -7.418 803 HA TRP 103 HA TRP 103 -2.981 3.945 -7.437 804 HB2 TRP 103 1HB TRP 103 -3.802 1.081 -6.819 805 HB3 TRP 103 2HB TRP 103 -4.914 2.363 -6.844 806 HD1 TRP 103 HD TRP 103 -2.861 0.297 -9.312 807 HE1 TRP 103 1HE TRP 103 -3.908 0.564 -11.620 808 HE3 TRP 103 3HE TRP 103 -5.932 4.227 -8.302 809 HZ2 TRP 103 2HZ TRP 103 -6.216 2.103 -12.778 810 HZ3 TRP 103 3HZ TRP 103 -7.433 5.154 -10.053 811 HH2 TRP 103 HH TRP 103 -7.574 4.089 -12.245 812 H CYS 104 H CYS 104 -2.108 1.645 -4.762 813 HA CYS 104 HA CYS 104 -3.551 3.049 -2.718 814 HB2 CYS 104 1HB CYS 104 -2.704 0.761 -2.401 815 HB3 CYS 104 2HB CYS 104 -1.033 1.354 -2.529 816 HG CYS 104 HG CYS 104 -0.723 1.967 -0.265 817 H LEU 105 H LEU 105 -0.312 3.484 -4.227 818 HA LEU 105 HA LEU 105 0.533 5.417 -2.252 819 HB2 LEU 105 1HB LEU 105 1.541 4.930 -5.079 820 HB3 LEU 105 2HB LEU 105 2.375 5.919 -3.886 821 HG LEU 105 HG LEU 105 1.837 2.929 -3.726 822 HD11 LEU 105 1HD1 LEU 105 4.475 4.364 -4.108 823 HD12 LEU 105 2HD1 LEU 105 4.195 2.625 -4.107 824 HD13 LEU 105 3HD1 LEU 105 3.537 3.619 -5.427 825 HD21 LEU 105 3HD2 LEU 105 3.406 2.967 -1.790 826 HD22 LEU 105 1HD2 LEU 105 3.413 4.748 -1.835 827 HD23 LEU 105 2HD2 LEU 105 1.924 3.842 -1.455 828 H ARG 106 H ARG 106 -1.231 5.611 -5.356 829 HA ARG 106 HA ARG 106 -1.284 8.510 -5.438 830 HB2 ARG 106 1HB ARG 106 -3.171 6.482 -6.727 831 HB3 ARG 106 2HB ARG 106 -3.188 8.221 -7.021 832 HG2 ARG 106 1HG ARG 106 -0.807 8.056 -7.785 833 HG3 ARG 106 2HG ARG 106 -0.968 6.292 -7.686 834 HD2 ARG 106 1HD ARG 106 -2.094 6.185 -9.621 835 HD3 ARG 106 2HD ARG 106 -3.174 7.505 -9.209 836 HE ARG 106 HE ARG 106 -1.787 9.002 -10.292 837 HH11 ARG 106 2HH2 ARG 106 -0.392 5.716 -10.425 838 HH12 ARG 106 1HH2 ARG 106 1.088 6.291 -11.153 839 HH21 ARG 106 2HH1 ARG 106 0.030 9.546 -11.786 840 HH22 ARG 106 1HH1 ARG 106 1.051 8.286 -12.352 841 H CYS 107 H CYS 107 -2.960 6.298 -3.355 842 HA CYS 107 HA CYS 107 -5.070 8.288 -2.740 843 HB2 CYS 107 1HB CYS 107 -4.460 5.439 -1.914 844 HB3 CYS 107 2HB CYS 107 -5.398 6.452 -0.835 845 HG CYS 107 HG CYS 107 -7.315 7.051 -2.356 846 H LEU 108 H LEU 108 -1.942 7.075 -1.517 847 HA LEU 108 HA LEU 108 -2.147 8.564 1.002 848 HB2 LEU 108 1HB LEU 108 0.271 7.230 -0.281 849 HB3 LEU 108 2HB LEU 108 0.199 7.862 1.337 850 HG LEU 108 HG LEU 108 -1.606 5.623 0.310 851 HD11 LEU 108 1HD1 LEU 108 0.830 5.290 2.048 852 HD12 LEU 108 2HD1 LEU 108 -0.197 4.026 1.354 853 HD13 LEU 108 3HD1 LEU 108 0.825 5.006 0.295 854 HD21 LEU 108 3HD2 LEU 108 -2.510 6.811 2.288 855 HD22 LEU 108 1HD2 LEU 108 -2.010 5.165 2.702 856 HD23 LEU 108 2HD2 LEU 108 -0.984 6.554 3.143 857 H TRP 109 H TRP 109 -1.208 9.330 -2.256 858 HA TRP 109 HA TRP 109 0.354 11.664 -1.820 859 HB2 TRP 109 1HB TRP 109 -1.732 10.840 -3.892 860 HB3 TRP 109 2HB TRP 109 -0.861 12.298 -3.969 861 HD1 TRP 109 HD TRP 109 1.521 9.643 -2.941 862 HE1 TRP 109 1HE TRP 109 2.838 8.791 -4.998 863 HE3 TRP 109 3HE TRP 109 -1.432 11.590 -6.615 864 HZ2 TRP 109 2HZ TRP 109 2.568 8.937 -7.897 865 HZ3 TRP 109 3HZ TRP 109 -0.980 11.109 -8.978 866 HH2 TRP 109 HH TRP 109 0.962 9.698 -9.623 867 H SER 110 H SER 110 -0.385 13.843 -1.759 868 HA SER 110 HA SER 110 -3.125 14.284 -0.707 869 HB2 SER 110 1HB SER 110 -0.455 15.214 0.393 870 HB3 SER 110 2HB SER 110 -2.039 15.811 0.906 871 HG SER 110 HG SER 110 -1.688 14.180 2.289 872 H THR 111 H THR 111 -3.610 16.794 -0.722 873 HA THR 111 HA THR 111 -3.408 17.273 -3.599 874 HB THR 111 HB THR 111 -5.437 18.666 -3.088 875 HG1 THR 111 1HG THR 111 -5.476 19.169 -1.047 876 HG21 THR 111 3HG2 THR 111 -5.564 15.772 -2.080 877 HG22 THR 111 1HG2 THR 111 -6.901 16.744 -2.720 878 HG23 THR 111 2HG2 THR 111 -5.575 16.269 -3.784 879 H LYS 112 H LYS 112 -1.391 18.345 -3.960 880 HA LYS 112 HA LYS 112 -1.216 21.029 -2.849 881 HB2 LYS 112 1HB LYS 112 -0.269 19.734 -1.128 882 HB3 LYS 112 2HB LYS 112 0.733 18.806 -2.261 883 HG2 LYS 112 1HG LYS 112 2.001 20.452 -0.959 884 HG3 LYS 112 2HG LYS 112 2.108 20.749 -2.703 885 HD2 LYS 112 1HD LYS 112 0.795 22.664 -2.608 886 HD3 LYS 112 2HD LYS 112 -0.058 22.162 -1.129 887 HE2 LYS 112 1HE LYS 112 1.673 22.790 0.282 888 HE3 LYS 112 2HE LYS 112 2.883 22.778 -1.015 889 HZ1 LYS 112 3HZ LYS 112 2.040 24.716 -1.906 890 HZ2 LYS 112 1HZ LYS 112 0.655 24.701 -1.025 891 HZ3 LYS 112 2HZ LYS 112 2.109 25.031 -0.288 892 HA PRO 113 HA PRO 113 0.212 20.880 -7.176 893 HB2 PRO 113 1HB PRO 113 -0.176 23.512 -7.787 894 HB3 PRO 113 2HB PRO 113 -1.522 22.337 -7.664 895 HG2 PRO 113 1HG PRO 113 -0.562 24.287 -5.548 896 HG3 PRO 113 2HG PRO 113 -2.247 23.967 -6.086 897 HD2 PRO 113 1HD PRO 113 -1.131 22.804 -3.861 898 HD3 PRO 113 2HD PRO 113 -2.348 21.965 -4.874 899 H VAL 114 H VAL 114 2.126 21.533 -8.191 900 HA VAL 114 HA VAL 114 4.182 22.805 -6.502 901 HB VAL 114 HB VAL 114 5.710 21.276 -7.648 902 HG11 VAL 114 1HG1 VAL 114 4.750 20.736 -5.414 903 HG12 VAL 114 2HG1 VAL 114 3.477 19.786 -6.204 904 HG13 VAL 114 3HG1 VAL 114 5.176 19.296 -6.347 905 HG21 VAL 114 3HG2 VAL 114 4.493 20.726 -9.702 906 HG22 VAL 114 1HG2 VAL 114 4.909 19.264 -8.803 907 HG23 VAL 114 2HG2 VAL 114 3.245 19.886 -8.759 908 H ASP 115 H ASP 115 2.448 24.289 -7.996 909 HA ASP 115 HA ASP 115 3.210 25.160 -10.591 910 HB2 ASP 115 1HB ASP 115 1.051 25.539 -9.450 911 HB3 ASP 115 2HB ASP 115 1.904 26.494 -8.226 912 H THR 116 H THR 116 5.459 25.053 -8.346 913 HA THR 116 HA THR 116 6.538 27.803 -8.744 914 HB THR 116 HB THR 116 7.087 25.916 -6.452 915 HG1 THR 116 1HG THR 116 5.807 27.075 -5.227 916 HG21 THR 116 3HG2 THR 116 8.123 27.904 -5.402 917 HG22 THR 116 1HG2 THR 116 8.862 27.673 -6.992 918 HG23 THR 116 2HG2 THR 116 7.628 28.921 -6.775 Start of MODEL 2 1 H1 MET 1 H MET 1 -14.643 -22.546 -3.947 2 HA MET 1 HA MET 1 -15.311 -24.106 -2.214 3 HB2 MET 1 1HB MET 1 -12.339 -24.115 -1.652 4 HB3 MET 1 2HB MET 1 -13.516 -24.436 -0.368 5 HG2 MET 1 1HG MET 1 -14.550 -26.211 -1.787 6 HG3 MET 1 2HG MET 1 -13.284 -25.949 -2.986 7 HE1 MET 1 3HE MET 1 -14.229 -27.298 0.558 8 HE2 MET 1 1HE MET 1 -12.678 -27.862 1.203 9 HE3 MET 1 2HE MET 1 -12.991 -26.128 1.069 10 H TYR 2 H TYR 2 -13.155 -21.216 -2.001 11 HA TYR 2 HA TYR 2 -14.160 -20.160 0.413 12 HB2 TYR 2 1HB TYR 2 -12.135 -19.449 -0.687 13 HB3 TYR 2 2HB TYR 2 -13.013 -18.980 -2.133 14 HD1 TYR 2 2HD TYR 2 -13.447 -18.144 1.577 15 HD2 TYR 2 1HD TYR 2 -12.852 -16.698 -2.467 16 HE1 TYR 2 2HE TYR 2 -13.290 -15.818 2.399 17 HE2 TYR 2 1HE TYR 2 -12.776 -14.395 -1.630 18 HH TYR 2 HH TYR 2 -13.261 -13.628 1.836 19 H THR 3 H THR 3 -16.187 -19.611 0.893 20 HA THR 3 HA THR 3 -17.757 -18.076 -1.084 21 HB THR 3 HB THR 3 -19.251 -19.644 0.991 22 HG1 THR 3 1HG THR 3 -17.985 -21.246 0.250 23 HG21 THR 3 3HG2 THR 3 -19.780 -19.124 -1.953 24 HG22 THR 3 1HG2 THR 3 -20.926 -19.830 -0.789 25 HG23 THR 3 2HG2 THR 3 -20.412 -18.147 -0.611 26 H GLU 4 H GLU 4 -15.805 -17.634 1.312 27 HA GLU 4 HA GLU 4 -17.598 -16.724 3.430 28 HB2 GLU 4 1HB GLU 4 -15.849 -18.326 3.902 29 HB3 GLU 4 2HB GLU 4 -14.617 -17.265 3.308 30 HG2 GLU 4 1HG GLU 4 -14.877 -15.771 5.172 31 HG3 GLU 4 2HG GLU 4 -16.344 -16.608 5.707 32 H GLN 5 H GLN 5 -17.045 -14.632 4.537 33 HA GLN 5 HA GLN 5 -17.042 -12.452 2.712 34 HB2 GLN 5 1HB GLN 5 -16.295 -12.478 5.666 35 HB3 GLN 5 2HB GLN 5 -16.713 -11.039 4.749 36 HG2 GLN 5 1HG GLN 5 -18.640 -13.355 5.229 37 HG3 GLN 5 2HG GLN 5 -18.498 -11.943 6.264 38 HE21 GLN 5 1HE2 GLN 5 -20.811 -11.639 5.785 39 HE22 GLN 5 2HE2 GLN 5 -21.258 -10.771 4.337 40 HA PRO 6 HA PRO 6 -12.494 -11.676 2.780 41 HB2 PRO 6 1HB PRO 6 -12.358 -9.291 1.521 42 HB3 PRO 6 2HB PRO 6 -12.843 -10.752 0.610 43 HG2 PRO 6 1HG PRO 6 -14.655 -8.653 1.843 44 HG3 PRO 6 2HG PRO 6 -14.704 -9.313 0.178 45 HD2 PRO 6 1HD PRO 6 -16.289 -10.303 2.261 46 HD3 PRO 6 2HD PRO 6 -15.724 -11.303 0.901 47 H ILE 7 H ILE 7 -11.105 -10.219 3.801 48 HA ILE 7 HA ILE 7 -12.015 -9.481 6.344 49 HB ILE 7 HB ILE 7 -9.404 -8.926 4.896 50 HG12 ILE 7 1HG1 ILE 7 -9.852 -10.974 7.102 51 HG13 ILE 7 2HG1 ILE 7 -10.181 -11.387 5.433 52 HG21 ILE 7 1HG2 ILE 7 -9.996 -8.672 7.880 53 HG22 ILE 7 2HG2 ILE 7 -8.387 -8.535 7.119 54 HG23 ILE 7 3HG2 ILE 7 -9.612 -7.343 6.764 55 HD11 ILE 7 3HD1 ILE 7 -7.957 -12.107 6.022 56 HD12 ILE 7 1HD1 ILE 7 -7.853 -10.834 4.792 57 HD13 ILE 7 2HD1 ILE 7 -7.479 -10.472 6.494 58 H ASP 8 H ASP 8 -13.681 -8.018 6.173 59 HA ASP 8 HA ASP 8 -14.848 -6.161 5.789 60 HB2 ASP 8 1HB ASP 8 -12.714 -5.742 7.672 61 HB3 ASP 8 2HB ASP 8 -13.052 -4.228 6.891 62 H LEU 9 H LEU 9 -13.241 -6.814 3.390 63 HA LEU 9 HA LEU 9 -11.846 -4.463 2.757 64 HB2 LEU 9 1HB LEU 9 -11.623 -7.177 2.239 65 HB3 LEU 9 2HB LEU 9 -12.049 -6.529 0.657 66 HG LEU 9 HG LEU 9 -9.776 -5.533 2.475 67 HD11 LEU 9 1HD1 LEU 9 -9.798 -7.151 -0.077 68 HD12 LEU 9 2HD1 LEU 9 -8.341 -6.586 0.789 69 HD13 LEU 9 3HD1 LEU 9 -9.423 -7.777 1.554 70 HD21 LEU 9 3HD2 LEU 9 -10.340 -4.859 -0.456 71 HD22 LEU 9 1HD2 LEU 9 -10.521 -3.747 0.911 72 HD23 LEU 9 2HD2 LEU 9 -8.931 -4.352 0.502 73 H VAL 10 H VAL 10 -12.155 -3.017 1.322 74 HA VAL 10 HA VAL 10 -14.614 -2.917 -0.304 75 HB VAL 10 HB VAL 10 -14.982 -0.523 0.647 76 HG11 VAL 10 1HG1 VAL 10 -16.708 -1.442 2.172 77 HG12 VAL 10 2HG1 VAL 10 -16.688 -2.267 0.615 78 HG13 VAL 10 3HG1 VAL 10 -15.969 -3.051 2.042 79 HG21 VAL 10 3HG2 VAL 10 -13.126 -0.663 2.329 80 HG22 VAL 10 1HG2 VAL 10 -14.740 -0.357 3.039 81 HG23 VAL 10 2HG2 VAL 10 -14.004 -1.952 3.148 82 HA PRO 11 HA PRO 11 -11.526 -1.022 -2.843 83 HB2 PRO 11 1HB PRO 11 -13.492 0.112 -4.607 84 HB3 PRO 11 2HB PRO 11 -12.381 -1.245 -4.898 85 HG2 PRO 11 1HG PRO 11 -15.171 -1.496 -4.632 86 HG3 PRO 11 2HG PRO 11 -13.973 -2.802 -4.444 87 HD2 PRO 11 1HD PRO 11 -15.352 -1.220 -2.282 88 HD3 PRO 11 2HD PRO 11 -14.821 -2.923 -2.328 89 H THR 12 H THR 12 -10.994 1.244 -3.580 90 HA THR 12 HA THR 12 -12.754 3.361 -2.983 91 HB THR 12 HB THR 12 -11.871 3.220 -0.736 92 HG1 THR 12 1HG THR 12 -12.205 5.297 -1.437 93 HG21 THR 12 3HG2 THR 12 -9.736 2.102 -1.094 94 HG22 THR 12 1HG2 THR 12 -9.077 3.537 -1.927 95 HG23 THR 12 2HG2 THR 12 -9.512 3.600 -0.202 96 H GLN 13 H GLN 13 -10.838 5.408 -3.401 97 HA GLN 13 HA GLN 13 -9.150 4.748 -5.651 98 HB2 GLN 13 1HB GLN 13 -11.758 6.168 -6.086 99 HB3 GLN 13 2HB GLN 13 -10.451 6.803 -6.947 100 HG2 GLN 13 1HG GLN 13 -10.154 4.929 -8.285 101 HG3 GLN 13 2HG GLN 13 -10.926 3.837 -7.156 102 HE21 GLN 13 1HE2 GLN 13 -13.036 3.251 -7.587 103 HE22 GLN 13 2HE2 GLN 13 -14.133 4.206 -8.575 104 HA PRO 14 HA PRO 14 -7.161 8.388 -4.067 105 HB2 PRO 14 1HB PRO 14 -5.761 9.295 -6.209 106 HB3 PRO 14 2HB PRO 14 -5.428 7.712 -5.432 107 HG2 PRO 14 1HG PRO 14 -7.047 8.241 -7.936 108 HG3 PRO 14 2HG PRO 14 -5.778 7.008 -7.678 109 HD2 PRO 14 1HD PRO 14 -8.494 6.471 -7.382 110 HD3 PRO 14 2HD PRO 14 -7.222 5.617 -6.454 111 H LEU 15 H LEU 15 -7.238 10.647 -4.037 112 HA LEU 15 HA LEU 15 -9.746 11.783 -5.079 113 HB2 LEU 15 1HB LEU 15 -9.526 13.320 -3.250 114 HB3 LEU 15 2HB LEU 15 -9.179 11.710 -2.671 115 HG LEU 15 HG LEU 15 -6.648 12.482 -3.237 116 HD11 LEU 15 1HD1 LEU 15 -7.932 15.033 -2.202 117 HD12 LEU 15 2HD1 LEU 15 -6.295 14.796 -2.840 118 HD13 LEU 15 3HD1 LEU 15 -7.724 14.741 -3.911 119 HD21 LEU 15 3HD2 LEU 15 -6.381 12.996 -0.854 120 HD22 LEU 15 1HD2 LEU 15 -8.141 13.135 -0.676 121 HD23 LEU 15 2HD2 LEU 15 -7.411 11.571 -1.089 122 HA PRO 16 HA PRO 16 -7.833 14.070 -8.162 123 HB2 PRO 16 1HB PRO 16 -9.369 16.334 -8.365 124 HB3 PRO 16 2HB PRO 16 -9.971 14.691 -8.753 125 HG2 PRO 16 1HG PRO 16 -10.521 16.349 -6.326 126 HG3 PRO 16 2HG PRO 16 -11.555 15.117 -7.122 127 HD2 PRO 16 1HD PRO 16 -9.955 14.752 -4.827 128 HD3 PRO 16 2HD PRO 16 -10.740 13.485 -5.760 129 H ASN 17 H ASN 17 -6.450 15.825 -8.746 130 HA ASN 17 HA ASN 17 -4.854 17.425 -8.479 131 HB2 ASN 17 1HB ASN 17 -5.606 18.137 -5.676 132 HB3 ASN 17 2HB ASN 17 -4.835 19.124 -6.910 133 HD21 ASN 17 1HD2 ASN 17 -7.523 18.859 -5.147 134 HD22 ASN 17 2HD2 ASN 17 -8.674 19.564 -6.223 135 H ALA 18 H ALA 18 -5.433 15.014 -6.094 136 HA ALA 18 HA ALA 18 -3.260 15.011 -4.454 137 HB1 ALA 18 1HB ALA 18 -3.361 12.600 -4.312 138 HB2 ALA 18 2HB ALA 18 -4.983 13.272 -4.438 139 HB3 ALA 18 3HB ALA 18 -4.224 12.507 -5.858 140 H SER 19 H SER 19 -1.004 14.518 -4.450 141 HA SER 19 HA SER 19 0.310 13.505 -6.745 142 HB2 SER 19 1HB SER 19 1.868 15.593 -6.679 143 HB3 SER 19 2HB SER 19 0.385 15.656 -7.645 144 HG SER 19 HG SER 19 0.730 16.781 -5.033 145 H PHE 20 H PHE 20 2.445 13.006 -6.104 146 HA PHE 20 HA PHE 20 2.751 12.205 -3.448 147 HB2 PHE 20 1HB PHE 20 3.755 11.157 -5.591 148 HB3 PHE 20 2HB PHE 20 4.872 12.499 -5.616 149 HD1 PHE 20 1HD PHE 20 3.732 10.367 -2.691 150 HD2 PHE 20 2HD PHE 20 7.005 11.513 -5.247 151 HE1 PHE 20 1HE PHE 20 5.335 9.045 -1.310 152 HE2 PHE 20 2HE PHE 20 8.545 10.211 -3.891 153 HZ PHE 20 HZ PHE 20 7.688 8.931 -1.915 154 H ASP 21 H ASP 21 4.836 12.738 -2.300 155 HA ASP 21 HA ASP 21 5.270 15.526 -1.982 156 HB2 ASP 21 1HB ASP 21 3.025 15.413 -1.078 157 HB3 ASP 21 2HB ASP 21 3.326 13.839 -0.375 158 H ASN 22 H ASN 22 6.745 15.508 0.231 159 HA ASN 22 HA ASN 22 8.740 13.483 -0.128 160 HB2 ASN 22 1HB ASN 22 8.546 15.888 1.626 161 HB3 ASN 22 2HB ASN 22 9.700 14.626 2.074 162 HD21 ASN 22 1HD2 ASN 22 11.355 13.823 0.584 163 HD22 ASN 22 2HD2 ASN 22 11.936 14.932 -0.571 164 H PHE 23 H PHE 23 6.125 12.279 0.864 165 HA PHE 23 HA PHE 23 6.787 11.326 3.552 166 HB2 PHE 23 1HB PHE 23 4.873 10.025 3.575 167 HB3 PHE 23 2HB PHE 23 4.395 11.481 2.783 168 HD1 PHE 23 1HD PHE 23 5.319 7.875 2.141 169 HD2 PHE 23 2HD PHE 23 3.323 11.407 0.695 170 HE1 PHE 23 1HE PHE 23 4.228 6.530 0.390 171 HE2 PHE 23 2HE PHE 23 2.122 10.043 -0.973 172 HZ PHE 23 HZ PHE 23 2.622 7.590 -1.186 173 H LYS 24 H LYS 24 7.862 9.572 4.051 174 HA LYS 24 HA LYS 24 8.697 7.628 1.957 175 HB2 LYS 24 1HB LYS 24 10.609 8.379 3.158 176 HB3 LYS 24 2HB LYS 24 9.802 8.310 4.729 177 HG2 LYS 24 1HG LYS 24 9.840 5.928 4.739 178 HG3 LYS 24 2HG LYS 24 10.176 5.887 3.007 179 HD2 LYS 24 1HD LYS 24 12.450 7.175 4.016 180 HD3 LYS 24 2HD LYS 24 12.024 6.028 5.314 181 HE2 LYS 24 1HE LYS 24 11.676 4.195 3.669 182 HE3 LYS 24 2HE LYS 24 12.132 5.283 2.351 183 HZ1 LYS 24 3HZ LYS 24 13.940 3.959 2.806 184 HZ2 LYS 24 1HZ LYS 24 14.346 5.421 3.445 185 HZ3 LYS 24 2HZ LYS 24 13.863 4.171 4.432 186 H LEU 25 H LEU 25 8.191 5.395 2.589 187 HA LEU 25 HA LEU 25 6.568 5.143 5.034 188 HB2 LEU 25 1HB LEU 25 5.202 3.329 4.086 189 HB3 LEU 25 2HB LEU 25 4.890 4.932 3.459 190 HG LEU 25 HG LEU 25 6.158 4.370 1.385 191 HD11 LEU 25 1HD1 LEU 25 7.609 2.561 2.059 192 HD12 LEU 25 2HD1 LEU 25 6.224 1.581 2.618 193 HD13 LEU 25 3HD1 LEU 25 6.476 1.917 0.891 194 HD21 LEU 25 3HD2 LEU 25 3.843 2.534 2.084 195 HD22 LEU 25 1HD2 LEU 25 3.709 4.221 1.534 196 HD23 LEU 25 2HD2 LEU 25 4.370 2.993 0.441 197 H THR 26 H THR 26 6.760 3.050 6.106 198 HA THR 26 HA THR 26 9.474 1.880 5.761 199 HB THR 26 HB THR 26 9.761 2.319 8.203 200 HG1 THR 26 1HG THR 26 7.525 2.678 8.787 201 HG21 THR 26 3HG2 THR 26 9.156 4.892 6.746 202 HG22 THR 26 1HG2 THR 26 10.323 4.634 8.057 203 HG23 THR 26 2HG2 THR 26 10.626 3.914 6.459 204 H CYS 27 H CYS 27 9.689 -0.289 6.526 205 HA CYS 27 HA CYS 27 7.518 -1.536 7.968 206 HB2 CYS 27 1HB CYS 27 6.427 -1.659 5.929 207 HB3 CYS 27 2HB CYS 27 7.880 -1.915 5.028 208 HG CYS 27 HG CYS 27 5.717 -3.860 6.155 209 H SER 28 H SER 28 7.921 -3.737 8.424 210 HA SER 28 HA SER 28 10.437 -4.121 9.648 211 HB2 SER 28 1HB SER 28 9.474 -6.463 9.932 212 HB3 SER 28 2HB SER 28 8.506 -5.140 10.596 213 HG SER 28 HG SER 28 7.604 -6.951 9.174 214 H ASN 29 H ASN 29 8.984 -5.380 6.677 215 HA ASN 29 HA ASN 29 11.489 -6.639 5.751 216 HB2 ASN 29 1HB ASN 29 9.257 -7.646 5.216 217 HB3 ASN 29 2HB ASN 29 8.855 -6.193 4.291 218 HD21 ASN 29 1HD2 ASN 29 10.550 -9.165 4.245 219 HD22 ASN 29 2HD2 ASN 29 11.323 -9.019 2.684 220 H THR 30 H THR 30 13.076 -5.101 5.156 221 HA THR 30 HA THR 30 12.378 -2.413 4.516 222 HB THR 30 HB THR 30 14.725 -2.257 3.669 223 HG1 THR 30 1HG THR 30 15.619 -4.007 3.124 224 HG21 THR 30 3HG2 THR 30 14.137 -1.878 6.058 225 HG22 THR 30 1HG2 THR 30 14.455 -3.595 6.400 226 HG23 THR 30 2HG2 THR 30 15.764 -2.530 5.838 227 H LYS 31 H LYS 31 13.151 -5.192 2.373 228 HA LYS 31 HA LYS 31 13.069 -3.865 -0.064 229 HB2 LYS 31 1HB LYS 31 13.781 -6.097 -0.094 230 HB3 LYS 31 2HB LYS 31 12.336 -6.704 0.665 231 HG2 LYS 31 1HG LYS 31 12.234 -7.349 -1.649 232 HG3 LYS 31 2HG LYS 31 11.005 -6.123 -1.421 233 HD2 LYS 31 1HD LYS 31 12.023 -5.470 -3.416 234 HD3 LYS 31 2HD LYS 31 12.782 -4.410 -2.248 235 HE2 LYS 31 1HE LYS 31 14.589 -5.145 -3.484 236 HE3 LYS 31 2HE LYS 31 14.660 -6.196 -2.070 237 HZ1 LYS 31 3HZ LYS 31 13.695 -7.960 -3.366 238 HZ2 LYS 31 1HZ LYS 31 13.418 -6.933 -4.640 239 HZ3 LYS 31 2HZ LYS 31 14.954 -7.328 -4.216 240 H PHE 32 H PHE 32 10.200 -5.123 1.769 241 HA PHE 32 HA PHE 32 8.333 -4.538 -0.212 242 HB2 PHE 32 1HB PHE 32 7.998 -5.623 2.126 243 HB3 PHE 32 2HB PHE 32 7.841 -3.993 2.736 244 HD1 PHE 32 1HD PHE 32 6.574 -5.783 -0.328 245 HD2 PHE 32 2HD PHE 32 5.528 -3.542 3.194 246 HE1 PHE 32 1HE PHE 32 4.183 -5.846 -1.010 247 HE2 PHE 32 2HE PHE 32 3.143 -3.637 2.527 248 HZ PHE 32 HZ PHE 32 2.474 -4.752 0.408 249 H ALA 33 H ALA 33 9.392 -2.323 2.396 250 HA ALA 33 HA ALA 33 7.855 -0.085 1.354 251 HB1 ALA 33 1HB ALA 33 9.315 1.201 2.994 252 HB2 ALA 33 2HB ALA 33 8.444 -0.151 3.730 253 HB3 ALA 33 3HB ALA 33 10.181 -0.298 3.348 254 H ASP 34 H ASP 34 11.082 -1.363 0.786 255 HA ASP 34 HA ASP 34 12.325 0.977 -0.314 256 HB2 ASP 34 1HB ASP 34 13.664 -1.028 0.297 257 HB3 ASP 34 2HB ASP 34 12.857 -1.963 -0.965 258 H ASP 35 H ASP 35 10.792 -1.833 -1.910 259 HA ASP 35 HA ASP 35 11.150 -0.829 -4.542 260 HB2 ASP 35 1HB ASP 35 10.485 -3.232 -3.455 261 HB3 ASP 35 2HB ASP 35 8.941 -2.668 -4.067 262 H LEU 36 H LEU 36 8.480 -0.536 -2.215 263 HA LEU 36 HA LEU 36 6.620 0.863 -3.903 264 HB2 LEU 36 1HB LEU 36 7.048 0.433 -0.945 265 HB3 LEU 36 2HB LEU 36 6.056 1.805 -1.410 266 HG LEU 36 HG LEU 36 4.404 0.509 -2.414 267 HD11 LEU 36 1HD1 LEU 36 6.135 -1.965 -2.081 268 HD12 LEU 36 2HD1 LEU 36 4.445 -1.964 -2.605 269 HD13 LEU 36 3HD1 LEU 36 5.678 -1.208 -3.624 270 HD21 LEU 36 3HD2 LEU 36 5.301 -0.938 0.115 271 HD22 LEU 36 1HD2 LEU 36 4.370 0.574 0.054 272 HD23 LEU 36 2HD2 LEU 36 3.652 -0.918 -0.550 273 H ASN 37 H ASN 37 9.215 2.019 -1.632 274 HA ASN 37 HA ASN 37 8.715 4.820 -2.014 275 HB2 ASN 37 1HB ASN 37 11.015 3.140 -0.973 276 HB3 ASN 37 2HB ASN 37 11.251 4.813 -1.283 277 HD21 ASN 37 1HD2 ASN 37 10.421 2.713 1.044 278 HD22 ASN 37 2HD2 ASN 37 9.689 3.753 2.241 279 H GLN 38 H GLN 38 10.560 2.382 -3.837 280 HA GLN 38 HA GLN 38 12.137 4.136 -5.407 281 HB2 GLN 38 1HB GLN 38 11.450 1.249 -5.158 282 HB3 GLN 38 2HB GLN 38 11.797 1.762 -6.779 283 HG2 GLN 38 1HG GLN 38 13.613 2.472 -4.437 284 HG3 GLN 38 2HG GLN 38 13.739 0.957 -5.317 285 HE21 GLN 38 1HE2 GLN 38 14.673 4.333 -5.412 286 HE22 GLN 38 2HE2 GLN 38 15.346 4.253 -7.044 287 H MET 39 H MET 39 9.020 2.391 -5.880 288 HA MET 39 HA MET 39 8.502 3.233 -8.477 289 HB2 MET 39 1HB MET 39 6.631 2.662 -6.147 290 HB3 MET 39 2HB MET 39 6.057 2.973 -7.780 291 HG2 MET 39 1HG MET 39 6.956 1.031 -8.650 292 HG3 MET 39 2HG MET 39 8.102 0.819 -7.345 293 HE1 MET 39 3HE MET 39 3.558 0.193 -6.648 294 HE2 MET 39 1HE MET 39 4.453 1.484 -5.833 295 HE3 MET 39 2HE MET 39 4.302 1.510 -7.591 296 H THR 40 H THR 40 7.547 4.873 -5.415 297 HA THR 40 HA THR 40 6.340 7.103 -6.752 298 HB THR 40 HB THR 40 6.438 8.102 -4.459 299 HG1 THR 40 1HG THR 40 7.312 5.496 -3.672 300 HG21 THR 40 3HG2 THR 40 5.335 5.310 -4.471 301 HG22 THR 40 1HG2 THR 40 4.766 6.728 -3.549 302 HG23 THR 40 2HG2 THR 40 4.555 6.694 -5.305 303 H GLY 41 H GLY 41 9.721 6.568 -5.818 304 HA2 GLY 41 1HA GLY 41 11.454 7.815 -6.889 305 HA3 GLY 41 2HA GLY 41 10.372 9.178 -7.099 306 H PHE 42 H PHE 42 10.301 7.672 -3.977 307 HA PHE 42 HA PHE 42 10.492 9.990 -2.541 308 HB2 PHE 42 1HB PHE 42 9.624 8.167 -1.393 309 HB3 PHE 42 2HB PHE 42 10.921 7.098 -1.903 310 HD1 PHE 42 1HD PHE 42 10.671 10.327 0.087 311 HD2 PHE 42 2HD PHE 42 12.398 6.407 -0.308 312 HE1 PHE 42 1HE PHE 42 12.116 10.778 1.997 313 HE2 PHE 42 2HE PHE 42 13.812 6.828 1.669 314 HZ PHE 42 HZ PHE 42 13.662 9.008 2.858 315 H THR 43 H THR 43 12.009 11.429 -1.877 316 HA THR 43 HA THR 43 14.870 10.634 -1.712 317 HB THR 43 HB THR 43 13.698 13.216 -2.807 318 HG1 THR 43 1HG THR 43 13.462 11.538 -4.243 319 HG21 THR 43 3HG2 THR 43 16.077 13.615 -3.498 320 HG22 THR 43 1HG2 THR 43 15.868 13.611 -1.749 321 HG23 THR 43 2HG2 THR 43 16.575 12.192 -2.561 322 H LYS 44 H LYS 44 15.961 11.569 0.072 323 HA LYS 44 HA LYS 44 14.192 12.382 2.273 324 HB2 LYS 44 1HB LYS 44 16.939 11.253 1.909 325 HB3 LYS 44 2HB LYS 44 16.812 12.419 3.191 326 HG2 LYS 44 1HG LYS 44 14.623 10.840 3.751 327 HG3 LYS 44 2HG LYS 44 15.712 9.665 2.963 328 HD2 LYS 44 1HD LYS 44 17.476 10.250 4.530 329 HD3 LYS 44 2HD LYS 44 16.454 11.490 5.273 330 HE2 LYS 44 1HE LYS 44 15.353 8.704 5.172 331 HE3 LYS 44 2HE LYS 44 16.753 8.966 6.223 332 HZ1 LYS 44 3HZ LYS 44 14.842 9.343 7.541 333 HZ2 LYS 44 1HZ LYS 44 15.486 10.811 7.263 334 HZ3 LYS 44 2HZ LYS 44 14.145 10.378 6.487 335 HA PRO 45 HA PRO 45 15.249 13.278 4.346 336 HB2 PRO 45 1HB PRO 45 14.087 15.217 5.782 337 HB3 PRO 45 2HB PRO 45 15.869 15.154 5.550 338 HG2 PRO 45 1HG PRO 45 13.831 16.842 4.046 339 HG3 PRO 45 2HG PRO 45 15.412 17.365 4.706 340 HD2 PRO 45 1HD PRO 45 15.033 16.661 2.077 341 HD3 PRO 45 2HD PRO 45 16.563 16.316 2.925 342 H ALA 46 H ALA 46 13.334 11.959 4.822 343 HA ALA 46 HA ALA 46 11.093 12.661 3.254 344 HB1 ALA 46 1HB ALA 46 10.669 10.735 5.489 345 HB2 ALA 46 2HB ALA 46 10.205 10.685 3.783 346 HB3 ALA 46 3HB ALA 46 11.871 10.297 4.248 347 H SER 47 H SER 47 9.299 13.837 3.875 348 HA SER 47 HA SER 47 9.379 15.480 6.245 349 HB2 SER 47 1HB SER 47 8.569 16.159 3.969 350 HB3 SER 47 2HB SER 47 7.148 15.116 4.204 351 HG SER 47 HG SER 47 6.523 17.091 4.796 352 H ARG 48 H ARG 48 8.013 12.352 5.594 353 HA ARG 48 HA ARG 48 7.259 12.023 8.312 354 HB2 ARG 48 1HB ARG 48 4.915 11.035 7.618 355 HB3 ARG 48 2HB ARG 48 5.081 12.747 7.988 356 HG2 ARG 48 1HG ARG 48 4.972 13.409 5.756 357 HG3 ARG 48 2HG ARG 48 5.326 11.795 5.138 358 HD2 ARG 48 1HD ARG 48 3.167 10.983 5.613 359 HD3 ARG 48 2HD ARG 48 2.757 12.401 6.621 360 HE ARG 48 HE ARG 48 3.481 13.364 4.119 361 HH11 ARG 48 2HH2 ARG 48 0.768 11.250 5.299 362 HH12 ARG 48 1HH2 ARG 48 -0.392 12.232 4.507 363 HH21 ARG 48 2HH1 ARG 48 1.888 14.341 2.811 364 HH22 ARG 48 1HH1 ARG 48 0.241 13.789 2.859 365 H GLU 49 H GLU 49 6.685 9.669 8.631 366 HA GLU 49 HA GLU 49 7.806 7.919 6.515 367 HB2 GLU 49 1HB GLU 49 8.773 8.164 9.370 368 HB3 GLU 49 2HB GLU 49 9.039 6.760 8.339 369 HG2 GLU 49 1HG GLU 49 10.492 7.870 6.873 370 HG3 GLU 49 2HG GLU 49 9.844 9.454 7.292 371 H LEU 50 H LEU 50 5.836 7.040 6.144 372 HA LEU 50 HA LEU 50 3.933 6.426 8.303 373 HB2 LEU 50 1HB LEU 50 3.727 5.752 5.339 374 HB3 LEU 50 2HB LEU 50 2.469 5.602 6.523 375 HG LEU 50 HG LEU 50 1.806 7.491 5.575 376 HD11 LEU 50 1HD1 LEU 50 2.248 8.076 7.970 377 HD12 LEU 50 2HD1 LEU 50 3.784 8.827 7.449 378 HD13 LEU 50 3HD1 LEU 50 2.227 9.460 6.890 379 HD21 LEU 50 3HD2 LEU 50 3.505 7.541 3.903 380 HD22 LEU 50 1HD2 LEU 50 2.935 9.110 4.415 381 HD23 LEU 50 2HD2 LEU 50 4.517 8.509 5.020 382 H SER 51 H SER 51 3.484 4.395 9.135 383 HA SER 51 HA SER 51 5.445 2.293 8.288 384 HB2 SER 51 1HB SER 51 4.396 3.159 10.843 385 HB3 SER 51 2HB SER 51 3.986 1.456 10.600 386 HG SER 51 HG SER 51 6.103 0.960 10.353 387 H VAL 52 H VAL 52 4.874 0.585 7.129 388 HA VAL 52 HA VAL 52 2.000 -0.003 6.755 389 HB VAL 52 HB VAL 52 4.515 -1.066 5.461 390 HG11 VAL 52 1HG1 VAL 52 1.562 -1.189 4.619 391 HG12 VAL 52 2HG1 VAL 52 2.905 -1.706 3.590 392 HG13 VAL 52 3HG1 VAL 52 2.565 -2.566 5.100 393 HG21 VAL 52 3HG2 VAL 52 4.084 0.370 3.521 394 HG22 VAL 52 1HG2 VAL 52 2.761 1.162 4.379 395 HG23 VAL 52 2HG2 VAL 52 4.419 1.322 4.964 396 H THR 53 H THR 53 1.177 -2.032 7.408 397 HA THR 53 HA THR 53 2.844 -3.835 9.144 398 HB THR 53 HB THR 53 0.827 -3.971 10.505 399 HG1 THR 53 1HG THR 53 0.135 -1.557 9.117 400 HG21 THR 53 3HG2 THR 53 2.911 -2.737 11.162 401 HG22 THR 53 1HG2 THR 53 2.255 -1.248 10.487 402 HG23 THR 53 2HG2 THR 53 1.489 -2.009 11.896 403 H PHE 54 H PHE 54 2.165 -6.037 9.079 404 HA PHE 54 HA PHE 54 0.557 -6.733 6.656 405 HB2 PHE 54 1HB PHE 54 2.625 -8.361 8.205 406 HB3 PHE 54 2HB PHE 54 1.765 -8.866 6.761 407 HD1 PHE 54 1HD PHE 54 2.022 -7.222 4.712 408 HD2 PHE 54 2HD PHE 54 4.786 -7.662 7.943 409 HE1 PHE 54 1HE PHE 54 3.906 -6.593 3.167 410 HE2 PHE 54 2HE PHE 54 6.689 -7.320 6.355 411 HZ PHE 54 HZ PHE 54 6.223 -6.589 4.001 412 H PHE 55 H PHE 55 -1.387 -7.795 7.090 413 HA PHE 55 HA PHE 55 -2.357 -7.856 9.608 414 HB2 PHE 55 1HB PHE 55 -3.218 -8.654 7.046 415 HB3 PHE 55 2HB PHE 55 -3.427 -10.093 7.988 416 HD1 PHE 55 1HD PHE 55 -3.976 -6.381 8.461 417 HD2 PHE 55 2HD PHE 55 -5.610 -10.357 8.815 418 HE1 PHE 55 1HE PHE 55 -6.124 -5.443 9.278 419 HE2 PHE 55 2HE PHE 55 -7.730 -9.417 9.643 420 HZ PHE 55 HZ PHE 55 -8.013 -6.956 9.863 421 HA PRO 56 HA PRO 56 -3.665 -8.860 11.024 422 HB2 PRO 56 1HB PRO 56 -3.932 -9.754 13.551 423 HB3 PRO 56 2HB PRO 56 -4.388 -10.774 12.161 424 HG2 PRO 56 1HG PRO 56 -1.786 -10.826 13.734 425 HG3 PRO 56 2HG PRO 56 -2.836 -12.208 13.301 426 HD2 PRO 56 1HD PRO 56 -0.623 -11.413 11.806 427 HD3 PRO 56 2HD PRO 56 -2.027 -12.248 11.111 428 H ASP 57 H ASP 57 -0.464 -8.196 11.197 429 HA ASP 57 HA ASP 57 -0.561 -6.246 13.387 430 HB2 ASP 57 1HB ASP 57 1.684 -7.106 12.239 431 HB3 ASP 57 2HB ASP 57 1.212 -6.088 10.929 432 H LEU 58 H LEU 58 -2.061 -4.647 13.119 433 HA LEU 58 HA LEU 58 -2.281 -3.370 10.492 434 HB2 LEU 58 1HB LEU 58 -4.649 -3.161 10.617 435 HB3 LEU 58 2HB LEU 58 -4.198 -4.852 10.578 436 HG LEU 58 HG LEU 58 -4.456 -4.010 13.364 437 HD11 LEU 58 1HD1 LEU 58 -6.909 -3.439 11.631 438 HD12 LEU 58 2HD1 LEU 58 -6.853 -3.461 13.412 439 HD13 LEU 58 3HD1 LEU 58 -5.946 -2.237 12.519 440 HD21 LEU 58 3HD2 LEU 58 -6.311 -5.819 11.768 441 HD22 LEU 58 1HD2 LEU 58 -4.718 -6.327 12.353 442 HD23 LEU 58 2HD2 LEU 58 -5.966 -5.851 13.508 443 H ASN 59 H ASN 59 -0.833 -2.892 13.063 444 HA ASN 59 HA ASN 59 -2.222 -0.818 14.533 445 HB2 ASN 59 1HB ASN 59 0.731 -1.567 14.366 446 HB3 ASN 59 2HB ASN 59 0.062 -0.391 15.472 447 HD21 ASN 59 1HD2 ASN 59 0.501 -3.748 14.827 448 HD22 ASN 59 2HD2 ASN 59 -0.207 -4.354 16.322 449 H GLY 60 H GLY 60 0.028 -0.898 11.800 450 HA2 GLY 60 1HA GLY 60 0.949 1.736 12.142 451 HA3 GLY 60 2HA GLY 60 1.209 0.733 10.707 452 H ASP 61 H ASP 61 1.091 3.237 10.185 453 HA ASP 61 HA ASP 61 -1.453 4.507 9.852 454 HB2 ASP 61 1HB ASP 61 0.785 5.669 9.755 455 HB3 ASP 61 2HB ASP 61 1.054 4.923 8.187 456 H VAL 62 H VAL 62 0.233 2.041 8.094 457 HA VAL 62 HA VAL 62 -1.940 1.887 6.098 458 HB VAL 62 HB VAL 62 1.022 1.496 5.543 459 HG11 VAL 62 1HG1 VAL 62 -0.399 0.136 4.053 460 HG12 VAL 62 2HG1 VAL 62 -1.338 1.568 3.598 461 HG13 VAL 62 3HG1 VAL 62 0.371 1.431 3.149 462 HG21 VAL 62 3HG2 VAL 62 -0.715 3.852 4.727 463 HG22 VAL 62 1HG2 VAL 62 0.661 3.897 5.844 464 HG23 VAL 62 2HG2 VAL 62 0.936 3.542 4.142 465 H VAL 63 H VAL 63 -2.505 -0.218 5.560 466 HA VAL 63 HA VAL 63 -1.288 -2.351 7.243 467 HB VAL 63 HB VAL 63 -4.198 -2.048 6.373 468 HG11 VAL 63 1HG1 VAL 63 -4.620 -3.778 8.126 469 HG12 VAL 63 2HG1 VAL 63 -3.678 -4.379 6.771 470 HG13 VAL 63 3HG1 VAL 63 -2.861 -3.982 8.302 471 HG21 VAL 63 3HG2 VAL 63 -2.958 -1.421 9.095 472 HG22 VAL 63 1HG2 VAL 63 -3.736 -0.253 8.016 473 HG23 VAL 63 2HG2 VAL 63 -4.702 -1.507 8.767 474 H ALA 64 H ALA 64 -1.478 -4.541 6.141 475 HA ALA 64 HA ALA 64 -1.622 -4.459 3.183 476 HB1 ALA 64 1HB ALA 64 0.438 -5.830 3.104 477 HB2 ALA 64 2HB ALA 64 0.744 -4.234 3.833 478 HB3 ALA 64 3HB ALA 64 0.595 -5.654 4.859 479 H ILE 65 H ILE 65 -2.324 -6.362 2.273 480 HA ILE 65 HA ILE 65 -3.522 -8.357 4.079 481 HB ILE 65 HB ILE 65 -4.830 -6.764 1.864 482 HG12 ILE 65 1HG1 ILE 65 -4.808 -5.709 4.132 483 HG13 ILE 65 2HG1 ILE 65 -6.405 -6.028 3.515 484 HG21 ILE 65 1HG2 ILE 65 -5.923 -9.265 3.219 485 HG22 ILE 65 2HG2 ILE 65 -6.879 -8.129 2.237 486 HG23 ILE 65 3HG2 ILE 65 -5.549 -9.034 1.508 487 HD11 ILE 65 3HD1 ILE 65 -4.972 -7.786 5.582 488 HD12 ILE 65 1HD1 ILE 65 -6.162 -6.537 5.941 489 HD13 ILE 65 2HD1 ILE 65 -6.653 -7.964 5.027 490 H ASP 66 H ASP 66 -3.453 -10.479 3.194 491 HA ASP 66 HA ASP 66 -1.418 -10.889 1.272 492 HB2 ASP 66 1HB ASP 66 -1.730 -13.190 1.713 493 HB3 ASP 66 2HB ASP 66 -1.643 -12.287 3.209 494 H TYR 67 H TYR 67 -1.502 -11.817 -0.691 495 HA TYR 67 HA TYR 67 -3.142 -10.388 -2.372 496 HB2 TYR 67 1HB TYR 67 -1.099 -10.855 -3.282 497 HB3 TYR 67 2HB TYR 67 -1.046 -12.492 -2.633 498 HD1 TYR 67 1HD TYR 67 -1.945 -14.398 -3.773 499 HD2 TYR 67 2HD TYR 67 -2.301 -10.441 -5.467 500 HE1 TYR 67 1HE TYR 67 -2.914 -15.377 -5.817 501 HE2 TYR 67 2HE TYR 67 -3.223 -11.428 -7.561 502 HH TYR 67 HH TYR 67 -4.001 -14.927 -7.822 503 H ARG 68 H ARG 68 -3.944 -13.538 -1.112 504 HA ARG 68 HA ARG 68 -5.704 -14.538 -3.075 505 HB2 ARG 68 1HB ARG 68 -6.794 -15.645 -1.135 506 HB3 ARG 68 2HB ARG 68 -5.036 -15.801 -1.114 507 HG2 ARG 68 1HG ARG 68 -4.823 -14.715 0.811 508 HG3 ARG 68 2HG ARG 68 -5.876 -13.406 0.361 509 HD2 ARG 68 1HD ARG 68 -7.864 -14.736 1.004 510 HD3 ARG 68 2HD ARG 68 -6.773 -16.045 1.539 511 HE ARG 68 HE ARG 68 -5.844 -13.624 2.633 512 HH11 ARG 68 2HH2 ARG 68 -8.693 -15.674 3.272 513 HH12 ARG 68 1HH2 ARG 68 -8.488 -15.544 4.987 514 HH21 ARG 68 2HH1 ARG 68 -5.625 -13.451 4.672 515 HH22 ARG 68 1HH1 ARG 68 -6.675 -14.187 5.857 516 H HIS 69 H HIS 69 -6.119 -11.673 -1.065 517 HA HIS 69 HA HIS 69 -9.023 -11.615 -1.673 518 HB2 HIS 69 1HB HIS 69 -7.258 -10.134 0.239 519 HB3 HIS 69 2HB HIS 69 -8.800 -9.459 -0.253 520 HD1 HIS 69 1HD HIS 69 -9.444 -13.057 -0.081 521 HD2 HIS 69 2HD HIS 69 -9.022 -9.808 2.587 522 HE1 HIS 69 1HE HIS 69 -10.543 -13.764 2.118 523 H TYR 70 H TYR 70 -6.375 -10.813 -3.549 524 HA TYR 70 HA TYR 70 -7.321 -8.215 -4.404 525 HB2 TYR 70 1HB TYR 70 -4.955 -8.765 -4.584 526 HB3 TYR 70 2HB TYR 70 -5.328 -10.088 -5.693 527 HD1 TYR 70 2HD TYR 70 -7.392 -7.070 -6.250 528 HD2 TYR 70 1HD TYR 70 -3.657 -9.014 -7.221 529 HE1 TYR 70 2HE TYR 70 -7.116 -5.565 -8.146 530 HE2 TYR 70 1HE TYR 70 -3.430 -7.569 -9.216 531 HH TYR 70 HH TYR 70 -5.083 -6.209 -10.718 532 H SER 71 H SER 71 -9.581 -9.086 -4.576 533 HA SER 71 HA SER 71 -10.264 -10.301 -7.140 534 HB2 SER 71 1HB SER 71 -11.858 -8.618 -5.139 535 HB3 SER 71 2HB SER 71 -12.557 -9.406 -6.559 536 HG SER 71 HG SER 71 -11.100 -11.071 -4.823 537 H ALA 72 H ALA 72 -11.048 -9.163 -8.984 538 HA ALA 72 HA ALA 72 -9.606 -6.789 -9.581 539 HB1 ALA 72 1HB ALA 72 -10.911 -6.810 -11.682 540 HB2 ALA 72 2HB ALA 72 -10.211 -8.386 -11.295 541 HB3 ALA 72 3HB ALA 72 -11.942 -8.095 -11.011 542 H SER 73 H SER 73 -12.628 -7.033 -7.845 543 HA SER 73 HA SER 73 -13.821 -4.559 -8.350 544 HB2 SER 73 1HB SER 73 -13.368 -5.589 -5.542 545 HB3 SER 73 2HB SER 73 -14.823 -4.882 -6.272 546 HG SER 73 HG SER 73 -14.944 -7.195 -5.935 547 H PHE 74 H PHE 74 -10.788 -5.377 -6.692 548 HA PHE 74 HA PHE 74 -10.515 -2.701 -5.541 549 HB2 PHE 74 1HB PHE 74 -8.808 -5.175 -5.305 550 HB3 PHE 74 2HB PHE 74 -8.756 -3.746 -4.301 551 HD1 PHE 74 1HD PHE 74 -11.590 -3.207 -3.503 552 HD2 PHE 74 2HD PHE 74 -9.534 -6.980 -4.002 553 HE1 PHE 74 1HE PHE 74 -13.116 -4.334 -1.823 554 HE2 PHE 74 2HE PHE 74 -11.150 -8.037 -2.407 555 HZ PHE 74 HZ PHE 74 -12.950 -6.711 -1.407 556 H LYS 75 H LYS 75 -10.002 -3.555 -8.742 557 HA LYS 75 HA LYS 75 -7.248 -3.378 -9.021 558 HB2 LYS 75 1HB LYS 75 -7.697 -3.716 -11.144 559 HB3 LYS 75 2HB LYS 75 -9.338 -3.982 -10.664 560 HG2 LYS 75 1HG LYS 75 -9.891 -1.607 -11.240 561 HG3 LYS 75 2HG LYS 75 -8.201 -1.374 -11.730 562 HD2 LYS 75 1HD LYS 75 -8.517 -3.364 -13.297 563 HD3 LYS 75 2HD LYS 75 -10.264 -3.124 -13.082 564 HE2 LYS 75 1HE LYS 75 -10.232 -1.063 -14.175 565 HE3 LYS 75 2HE LYS 75 -8.588 -0.688 -13.628 566 HZ1 LYS 75 3HZ LYS 75 -7.714 -2.236 -15.191 567 HZ2 LYS 75 1HZ LYS 75 -9.224 -2.649 -15.729 568 HZ3 LYS 75 2HZ LYS 75 -8.609 -1.138 -15.993 569 H LYS 76 H LYS 76 -9.557 -0.760 -8.529 570 HA LYS 76 HA LYS 76 -7.585 1.263 -9.413 571 HB2 LYS 76 1HB LYS 76 -10.511 1.473 -8.696 572 HB3 LYS 76 2HB LYS 76 -9.454 2.828 -9.158 573 HG2 LYS 76 1HG LYS 76 -8.979 1.355 -11.295 574 HG3 LYS 76 2HG LYS 76 -10.454 0.515 -10.804 575 HD2 LYS 76 1HD LYS 76 -11.571 2.833 -10.689 576 HD3 LYS 76 2HD LYS 76 -10.131 3.459 -11.507 577 HE2 LYS 76 1HE LYS 76 -10.454 1.808 -13.322 578 HE3 LYS 76 2HE LYS 76 -11.879 1.167 -12.491 579 HZ1 LYS 76 3HZ LYS 76 -12.911 3.386 -12.741 580 HZ2 LYS 76 1HZ LYS 76 -11.633 3.906 -13.613 581 HZ3 LYS 76 2HZ LYS 76 -12.596 2.706 -14.184 582 H GLY 77 H GLY 77 -7.915 -0.474 -6.655 583 HA2 GLY 77 1HA GLY 77 -6.423 0.334 -4.850 584 HA3 GLY 77 2HA GLY 77 -7.430 1.803 -4.813 585 H ALA 78 H ALA 78 -7.096 0.105 -2.536 586 HA ALA 78 HA ALA 78 -9.894 -0.213 -1.948 587 HB1 ALA 78 1HB ALA 78 -9.646 -2.499 -1.012 588 HB2 ALA 78 2HB ALA 78 -9.446 -2.458 -2.752 589 HB3 ALA 78 3HB ALA 78 -8.011 -2.610 -1.701 590 H LYS 79 H LYS 79 -10.169 -0.778 0.395 591 HA LYS 79 HA LYS 79 -7.971 -0.037 2.169 592 HB2 LYS 79 1HB LYS 79 -9.575 1.471 3.414 593 HB3 LYS 79 2HB LYS 79 -8.941 2.154 1.923 594 HG2 LYS 79 1HG LYS 79 -10.999 1.938 0.771 595 HG3 LYS 79 2HG LYS 79 -11.542 0.666 1.814 596 HD2 LYS 79 1HD LYS 79 -11.424 2.680 3.646 597 HD3 LYS 79 2HD LYS 79 -11.676 3.621 2.179 598 HE2 LYS 79 1HE LYS 79 -13.878 3.112 2.279 599 HE3 LYS 79 2HE LYS 79 -13.469 1.428 1.942 600 HZ1 LYS 79 3HZ LYS 79 -13.679 2.641 4.658 601 HZ2 LYS 79 1HZ LYS 79 -14.711 1.590 4.004 602 HZ3 LYS 79 2HZ LYS 79 -13.185 1.108 4.385 603 H LEU 80 H LEU 80 -8.634 -0.585 4.343 604 HA LEU 80 HA LEU 80 -10.437 -2.915 4.522 605 HB2 LEU 80 1HB LEU 80 -7.899 -2.512 5.458 606 HB3 LEU 80 2HB LEU 80 -8.789 -1.937 6.862 607 HG LEU 80 HG LEU 80 -9.044 -4.654 5.442 608 HD11 LEU 80 1HD1 LEU 80 -6.868 -4.326 6.606 609 HD12 LEU 80 2HD1 LEU 80 -7.747 -4.009 8.121 610 HD13 LEU 80 3HD1 LEU 80 -7.866 -5.592 7.336 611 HD21 LEU 80 3HD2 LEU 80 -11.080 -4.181 6.433 612 HD22 LEU 80 1HD2 LEU 80 -10.295 -5.350 7.482 613 HD23 LEU 80 2HD2 LEU 80 -10.351 -3.654 7.986 614 H LEU 81 H LEU 81 -11.135 -2.256 7.277 615 HA LEU 81 HA LEU 81 -13.533 -1.043 7.029 616 HB2 LEU 81 1HB LEU 81 -12.357 -2.168 9.046 617 HB3 LEU 81 2HB LEU 81 -11.946 -0.576 9.574 618 HG LEU 81 HG LEU 81 -14.811 -1.118 8.767 619 HD11 LEU 81 1HD1 LEU 81 -13.973 -1.700 11.610 620 HD12 LEU 81 2HD1 LEU 81 -15.502 -1.994 10.793 621 HD13 LEU 81 3HD1 LEU 81 -14.111 -2.978 10.360 622 HD21 LEU 81 3HD2 LEU 81 -14.014 1.203 9.433 623 HD22 LEU 81 1HD2 LEU 81 -15.332 0.577 10.422 624 HD23 LEU 81 2HD2 LEU 81 -13.674 0.573 11.051 625 H HIS 82 H HIS 82 -10.758 0.701 8.328 626 HA HIS 82 HA HIS 82 -11.513 3.039 6.658 627 HB2 HIS 82 1HB HIS 82 -11.639 4.627 8.391 628 HB3 HIS 82 2HB HIS 82 -12.766 3.341 8.745 629 HD1 HIS 82 1HD HIS 82 -10.663 5.488 10.559 630 HD2 HIS 82 2HD HIS 82 -11.322 1.325 10.513 631 HE1 HIS 82 1HE HIS 82 -9.933 4.623 12.838 632 H LYS 83 H LYS 83 -9.053 1.049 7.089 633 HA LYS 83 HA LYS 83 -7.073 3.226 6.890 634 HB2 LYS 83 1HB LYS 83 -6.876 0.445 8.148 635 HB3 LYS 83 2HB LYS 83 -5.471 1.386 7.660 636 HG2 LYS 83 1HG LYS 83 -6.858 3.310 9.032 637 HG3 LYS 83 2HG LYS 83 -7.435 1.904 9.877 638 HD2 LYS 83 1HD LYS 83 -4.483 2.293 9.343 639 HD3 LYS 83 2HD LYS 83 -5.253 3.196 10.634 640 HE2 LYS 83 1HE LYS 83 -6.056 1.037 11.635 641 HE3 LYS 83 2HE LYS 83 -5.070 0.175 10.431 642 HZ1 LYS 83 3HZ LYS 83 -4.094 2.071 12.514 643 HZ2 LYS 83 1HZ LYS 83 -3.833 0.448 12.454 644 HZ3 LYS 83 2HZ LYS 83 -3.133 1.430 11.360 645 HA PRO 84 HA PRO 84 -6.383 1.682 2.870 646 HB2 PRO 84 1HB PRO 84 -3.751 2.315 2.401 647 HB3 PRO 84 2HB PRO 84 -5.052 3.533 2.528 648 HG2 PRO 84 1HG PRO 84 -3.040 2.731 4.591 649 HG3 PRO 84 2HG PRO 84 -3.623 4.358 4.205 650 HD2 PRO 84 1HD PRO 84 -4.525 2.799 6.308 651 HD3 PRO 84 2HD PRO 84 -5.532 4.069 5.585 652 H ILE 85 H ILE 85 -5.260 -0.019 1.620 653 HA ILE 85 HA ILE 85 -3.719 -1.911 3.256 654 HB ILE 85 HB ILE 85 -4.972 -3.837 2.624 655 HG12 ILE 85 1HG1 ILE 85 -7.316 -2.913 1.325 656 HG13 ILE 85 2HG1 ILE 85 -6.068 -2.045 0.488 657 HG21 ILE 85 1HG2 ILE 85 -5.739 -2.707 4.525 658 HG22 ILE 85 2HG2 ILE 85 -6.852 -1.735 3.548 659 HG23 ILE 85 3HG2 ILE 85 -7.061 -3.500 3.638 660 HD11 ILE 85 3HD1 ILE 85 -6.511 -4.160 -0.637 661 HD12 ILE 85 1HD1 ILE 85 -4.880 -4.237 0.055 662 HD13 ILE 85 2HD1 ILE 85 -6.231 -5.071 0.856 663 H VAL 86 H VAL 86 -2.473 -3.418 1.939 664 HA VAL 86 HA VAL 86 -2.214 -2.788 -0.925 665 HB VAL 86 HB VAL 86 0.246 -2.915 -0.781 666 HG11 VAL 86 1HG1 VAL 86 -0.915 -0.747 -0.975 667 HG12 VAL 86 2HG1 VAL 86 -0.915 -0.594 0.802 668 HG13 VAL 86 3HG1 VAL 86 0.614 -0.619 -0.081 669 HG21 VAL 86 3HG2 VAL 86 1.448 -2.461 1.280 670 HG22 VAL 86 1HG2 VAL 86 -0.050 -2.477 2.211 671 HG23 VAL 86 2HG2 VAL 86 0.529 -3.972 1.438 672 H TRP 87 H TRP 87 -1.492 -4.598 -2.170 673 HA TRP 87 HA TRP 87 -1.958 -7.187 -0.933 674 HB2 TRP 87 1HB TRP 87 -1.034 -6.493 -3.758 675 HB3 TRP 87 2HB TRP 87 -1.778 -8.012 -3.200 676 HD1 TRP 87 HD TRP 87 -2.594 -4.732 -4.684 677 HE1 TRP 87 1HE TRP 87 -5.082 -4.162 -4.598 678 HE3 TRP 87 3HE TRP 87 -4.064 -8.289 -1.338 679 HZ2 TRP 87 2HZ TRP 87 -7.430 -5.175 -3.253 680 HZ3 TRP 87 3HZ TRP 87 -6.396 -8.372 -0.584 681 HH2 TRP 87 HH TRP 87 -8.118 -6.863 -1.577 682 H HIS 88 H HIS 88 -0.355 -8.243 0.122 683 HA HIS 88 HA HIS 88 2.447 -7.907 -0.888 684 HB2 HIS 88 1HB HIS 88 3.353 -7.910 1.175 685 HB3 HIS 88 2HB HIS 88 1.931 -6.906 1.440 686 HD1 HIS 88 1HD HIS 88 3.699 -9.414 3.308 687 HD2 HIS 88 2HD HIS 88 -0.298 -8.525 2.493 688 HE1 HIS 88 1HE HIS 88 2.497 -10.808 4.799 689 H ILE 89 H ILE 89 3.669 -9.684 -1.086 690 HA ILE 89 HA ILE 89 2.457 -12.371 -0.680 691 HB ILE 89 HB ILE 89 3.840 -11.175 -3.121 692 HG12 ILE 89 1HG1 ILE 89 1.218 -12.712 -2.819 693 HG13 ILE 89 2HG1 ILE 89 1.352 -10.950 -2.953 694 HG21 ILE 89 1HG2 ILE 89 3.280 -14.138 -2.677 695 HG22 ILE 89 2HG2 ILE 89 3.991 -13.382 -4.122 696 HG23 ILE 89 3HG2 ILE 89 4.902 -13.394 -2.624 697 HD11 ILE 89 3HD1 ILE 89 2.441 -11.266 -5.214 698 HD12 ILE 89 1HD1 ILE 89 2.003 -12.990 -5.100 699 HD13 ILE 89 2HD1 ILE 89 0.739 -11.761 -5.105 700 H ASN 90 H ASN 90 3.805 -13.078 1.057 701 HA ASN 90 HA ASN 90 5.711 -13.746 2.070 702 HB2 ASN 90 1HB ASN 90 7.034 -13.360 -0.666 703 HB3 ASN 90 2HB ASN 90 7.722 -14.130 0.730 704 HD21 ASN 90 1HD2 ASN 90 4.571 -14.290 -0.487 705 HD22 ASN 90 2HD2 ASN 90 4.441 -16.061 -0.827 706 H GLN 91 H GLN 91 4.919 -11.075 2.267 707 HA GLN 91 HA GLN 91 5.518 -8.990 2.849 708 HB2 GLN 91 1HB GLN 91 8.277 -10.004 3.578 709 HB3 GLN 91 2HB GLN 91 7.380 -8.660 4.243 710 HG2 GLN 91 1HG GLN 91 7.238 -11.551 4.911 711 HG3 GLN 91 2HG GLN 91 7.053 -10.134 5.965 712 HE21 GLN 91 1HE2 GLN 91 5.601 -12.688 4.561 713 HE22 GLN 91 2HE2 GLN 91 3.919 -12.313 4.825 714 H ALA 92 H ALA 92 6.124 -10.094 -0.003 715 HA ALA 92 HA ALA 92 7.955 -7.850 -0.747 716 HB1 ALA 92 1HB ALA 92 8.848 -10.151 -1.222 717 HB2 ALA 92 2HB ALA 92 7.456 -10.404 -2.304 718 HB3 ALA 92 3HB ALA 92 8.635 -9.131 -2.658 719 H THR 93 H THR 93 7.547 -6.901 -2.744 720 HA THR 93 HA THR 93 4.789 -6.998 -3.779 721 HB THR 93 HB THR 93 5.114 -4.771 -3.158 722 HG1 THR 93 1HG THR 93 5.893 -3.974 -5.497 723 HG21 THR 93 3HG2 THR 93 7.905 -4.757 -4.399 724 HG22 THR 93 1HG2 THR 93 7.026 -3.373 -3.703 725 HG23 THR 93 2HG2 THR 93 7.548 -4.691 -2.662 726 H THR 94 H THR 94 4.819 -7.141 -6.151 727 HA THR 94 HA THR 94 7.195 -8.382 -7.385 728 HB THR 94 HB THR 94 5.871 -10.315 -8.073 729 HG1 THR 94 1HG THR 94 3.805 -9.201 -6.478 730 HG21 THR 94 3HG2 THR 94 5.596 -11.547 -5.968 731 HG22 THR 94 1HG2 THR 94 7.074 -10.566 -5.910 732 HG23 THR 94 2HG2 THR 94 5.619 -10.051 -5.032 733 H LYS 95 H LYS 95 6.595 -8.574 -9.922 734 HA LYS 95 HA LYS 95 5.542 -6.057 -10.700 735 HB2 LYS 95 1HB LYS 95 5.868 -8.603 -12.321 736 HB3 LYS 95 2HB LYS 95 5.317 -7.093 -13.008 737 HG2 LYS 95 1HG LYS 95 7.849 -6.934 -11.377 738 HG3 LYS 95 2HG LYS 95 7.917 -7.882 -12.861 739 HD2 LYS 95 1HD LYS 95 6.990 -6.020 -14.139 740 HD3 LYS 95 2HD LYS 95 6.998 -4.988 -12.685 741 HE2 LYS 95 1HE LYS 95 9.454 -5.304 -12.478 742 HE3 LYS 95 2HE LYS 95 9.458 -6.302 -13.941 743 HZ1 LYS 95 3HZ LYS 95 8.823 -4.381 -15.224 744 HZ2 LYS 95 1HZ LYS 95 8.634 -3.475 -13.866 745 HZ3 LYS 95 2HZ LYS 95 10.120 -3.984 -14.312 746 H THR 96 H THR 96 3.803 -9.129 -10.217 747 HA THR 96 HA THR 96 1.286 -8.326 -11.250 748 HB THR 96 HB THR 96 2.091 -10.300 -9.069 749 HG1 THR 96 1HG THR 96 2.298 -11.666 -10.750 750 HG21 THR 96 3HG2 THR 96 -0.316 -9.894 -8.849 751 HG22 THR 96 1HG2 THR 96 -0.533 -10.038 -10.602 752 HG23 THR 96 2HG2 THR 96 -0.066 -11.455 -9.642 753 H THR 97 H THR 97 2.689 -7.896 -7.903 754 HA THR 97 HA THR 97 0.180 -6.588 -7.056 755 HB THR 97 HB THR 97 1.322 -6.732 -4.792 756 HG1 THR 97 1HG THR 97 3.036 -7.971 -4.563 757 HG21 THR 97 3HG2 THR 97 -0.354 -8.420 -5.526 758 HG22 THR 97 1HG2 THR 97 0.950 -9.398 -6.245 759 HG23 THR 97 2HG2 THR 97 0.902 -9.130 -4.496 760 H PHE 98 H PHE 98 3.062 -5.582 -8.434 761 HA PHE 98 HA PHE 98 3.551 -3.097 -7.119 762 HB2 PHE 98 1HB PHE 98 5.313 -3.452 -8.440 763 HB3 PHE 98 2HB PHE 98 4.450 -4.540 -9.498 764 HD1 PHE 98 2HD PHE 98 4.439 -0.831 -8.839 765 HD2 PHE 98 1HD PHE 98 4.526 -4.002 -11.749 766 HE1 PHE 98 2HE PHE 98 4.679 0.839 -10.637 767 HE2 PHE 98 1HE PHE 98 4.748 -2.319 -13.559 768 HZ PHE 98 HZ PHE 98 4.835 0.101 -13.013 769 H LYS 99 H LYS 99 1.861 -3.872 -10.146 770 HA LYS 99 HA LYS 99 0.980 -1.324 -10.801 771 HB2 LYS 99 1HB LYS 99 0.030 -4.114 -11.426 772 HB3 LYS 99 2HB LYS 99 -0.869 -2.717 -12.046 773 HG2 LYS 99 1HG LYS 99 1.957 -2.209 -12.431 774 HG3 LYS 99 2HG LYS 99 1.632 -3.776 -13.056 775 HD2 LYS 99 1HD LYS 99 -0.226 -1.566 -13.938 776 HD3 LYS 99 2HD LYS 99 1.459 -1.471 -14.414 777 HE2 LYS 99 1HE LYS 99 0.680 -2.601 -16.193 778 HE3 LYS 99 2HE LYS 99 1.263 -3.932 -15.198 779 HZ1 LYS 99 3HZ LYS 99 -0.998 -4.422 -14.605 780 HZ2 LYS 99 1HZ LYS 99 -1.542 -3.039 -15.375 781 HZ3 LYS 99 2HZ LYS 99 -0.910 -4.280 -16.223 782 HA PRO 100 HA PRO 100 -3.005 -1.605 -8.292 783 HB2 PRO 100 1HB PRO 100 -3.389 -3.420 -6.321 784 HB3 PRO 100 2HB PRO 100 -3.757 -3.801 -8.023 785 HG2 PRO 100 1HG PRO 100 -1.247 -4.496 -6.495 786 HG3 PRO 100 2HG PRO 100 -2.278 -5.583 -7.489 787 HD2 PRO 100 1HD PRO 100 -0.040 -4.436 -8.503 788 HD3 PRO 100 2HD PRO 100 -1.490 -4.634 -9.500 789 H ASN 101 H ASN 101 0.146 -2.389 -6.712 790 HA ASN 101 HA ASN 101 -0.384 -0.970 -4.280 791 HB2 ASN 101 1HB ASN 101 1.990 -2.147 -5.638 792 HB3 ASN 101 2HB ASN 101 2.347 -0.658 -4.851 793 HD21 ASN 101 1HD2 ASN 101 1.597 -3.993 -4.356 794 HD22 ASN 101 2HD2 ASN 101 1.768 -3.985 -2.609 795 H THR 102 H THR 102 0.517 0.115 -7.529 796 HA THR 102 HA THR 102 1.425 2.673 -6.825 797 HB THR 102 HB THR 102 1.259 3.282 -8.947 798 HG1 THR 102 1HG THR 102 -0.545 1.201 -9.693 799 HG21 THR 102 3HG2 THR 102 1.314 0.320 -9.458 800 HG22 THR 102 1HG2 THR 102 2.086 1.610 -10.380 801 HG23 THR 102 2HG2 THR 102 2.662 1.219 -8.760 802 H TRP 103 H TRP 103 -1.918 1.533 -7.250 803 HA TRP 103 HA TRP 103 -3.181 4.097 -7.147 804 HB2 TRP 103 1HB TRP 103 -4.156 1.254 -6.671 805 HB3 TRP 103 2HB TRP 103 -5.206 2.635 -6.589 806 HD1 TRP 103 HD TRP 103 -3.328 0.515 -9.099 807 HE1 TRP 103 1HE TRP 103 -4.272 0.912 -11.453 808 HE3 TRP 103 3HE TRP 103 -6.335 4.498 -8.092 809 HZ2 TRP 103 2HZ TRP 103 -6.387 2.515 -12.647 810 HZ3 TRP 103 3HZ TRP 103 -7.858 5.422 -9.827 811 HH2 TRP 103 HH TRP 103 -7.949 4.382 -12.074 812 H CYS 104 H CYS 104 -2.191 1.742 -4.624 813 HA CYS 104 HA CYS 104 -3.433 3.128 -2.434 814 HB2 CYS 104 1HB CYS 104 -2.539 0.856 -2.128 815 HB3 CYS 104 2HB CYS 104 -0.903 1.417 -2.528 816 HG CYS 104 HG CYS 104 -0.512 1.329 -0.098 817 H LEU 105 H LEU 105 -0.254 3.547 -4.113 818 HA LEU 105 HA LEU 105 0.644 5.528 -2.239 819 HB2 LEU 105 1HB LEU 105 1.472 5.041 -5.121 820 HB3 LEU 105 2HB LEU 105 2.360 6.062 -3.996 821 HG LEU 105 HG LEU 105 1.785 3.168 -3.320 822 HD11 LEU 105 1HD1 LEU 105 2.809 2.684 -5.208 823 HD12 LEU 105 2HD1 LEU 105 3.723 4.175 -5.307 824 HD13 LEU 105 3HD1 LEU 105 4.250 2.894 -4.188 825 HD21 LEU 105 3HD2 LEU 105 2.575 4.570 -1.469 826 HD22 LEU 105 1HD2 LEU 105 3.730 3.310 -1.901 827 HD23 LEU 105 2HD2 LEU 105 4.029 4.985 -2.383 828 H ARG 106 H ARG 106 -1.291 5.713 -5.239 829 HA ARG 106 HA ARG 106 -1.419 8.585 -5.266 830 HB2 ARG 106 1HB ARG 106 -3.536 6.650 -6.285 831 HB3 ARG 106 2HB ARG 106 -3.404 8.377 -6.661 832 HG2 ARG 106 1HG ARG 106 -1.128 7.873 -7.692 833 HG3 ARG 106 2HG ARG 106 -1.539 6.177 -7.510 834 HD2 ARG 106 1HD ARG 106 -2.462 6.333 -9.532 835 HD3 ARG 106 2HD ARG 106 -3.820 7.066 -8.688 836 HE ARG 106 HE ARG 106 -2.578 9.281 -9.136 837 HH11 ARG 106 2HH2 ARG 106 -2.599 6.520 -11.387 838 HH12 ARG 106 1HH2 ARG 106 -2.353 7.507 -12.787 839 HH21 ARG 106 2HH1 ARG 106 -2.514 10.620 -11.103 840 HH22 ARG 106 1HH1 ARG 106 -2.389 9.836 -12.621 841 H CYS 107 H CYS 107 -2.975 6.348 -3.087 842 HA CYS 107 HA CYS 107 -4.980 8.360 -2.259 843 HB2 CYS 107 1HB CYS 107 -4.382 5.475 -1.567 844 HB3 CYS 107 2HB CYS 107 -5.247 6.471 -0.414 845 HG CYS 107 HG CYS 107 -7.252 7.099 -1.746 846 H LEU 108 H LEU 108 -1.791 7.064 -1.249 847 HA LEU 108 HA LEU 108 -1.704 8.564 1.244 848 HB2 LEU 108 1HB LEU 108 0.524 7.415 -0.425 849 HB3 LEU 108 2HB LEU 108 0.696 8.112 1.184 850 HG LEU 108 HG LEU 108 -0.939 5.638 0.488 851 HD11 LEU 108 1HD1 LEU 108 1.495 5.310 0.330 852 HD12 LEU 108 2HD1 LEU 108 1.692 5.908 1.990 853 HD13 LEU 108 3HD1 LEU 108 0.792 4.402 1.680 854 HD21 LEU 108 3HD2 LEU 108 -1.114 5.307 2.939 855 HD22 LEU 108 1HD2 LEU 108 -0.312 6.859 3.216 856 HD23 LEU 108 2HD2 LEU 108 -1.914 6.806 2.465 857 H TRP 109 H TRP 109 -0.992 9.436 -2.161 858 HA TRP 109 HA TRP 109 0.419 11.805 -1.857 859 HB2 TRP 109 1HB TRP 109 -1.818 11.044 -3.763 860 HB3 TRP 109 2HB TRP 109 -0.921 12.472 -3.898 861 HD1 TRP 109 HD TRP 109 1.585 9.914 -3.153 862 HE1 TRP 109 1HE TRP 109 2.624 8.986 -5.308 863 HE3 TRP 109 3HE TRP 109 -1.977 11.447 -6.474 864 HZ2 TRP 109 2HZ TRP 109 1.967 8.917 -8.139 865 HZ3 TRP 109 3HZ TRP 109 -1.730 11.007 -8.870 866 HH2 TRP 109 HH TRP 109 0.218 9.716 -9.727 867 H SER 110 H SER 110 -0.099 13.899 -1.335 868 HA SER 110 HA SER 110 -2.807 14.562 -0.300 869 HB2 SER 110 1HB SER 110 -0.061 15.088 0.904 870 HB3 SER 110 2HB SER 110 -1.598 15.707 1.518 871 HG SER 110 HG SER 110 -2.311 13.566 1.768 872 H THR 111 H THR 111 -2.206 15.176 -2.834 873 HA THR 111 HA THR 111 -2.148 16.898 -4.365 874 HB THR 111 HB THR 111 -3.636 18.620 -4.022 875 HG1 THR 111 1HG THR 111 -3.311 19.783 -2.349 876 HG21 THR 111 3HG2 THR 111 -5.568 17.727 -2.869 877 HG22 THR 111 1HG2 THR 111 -4.786 16.439 -3.775 878 HG23 THR 111 2HG2 THR 111 -4.587 16.539 -2.013 879 H LYS 112 H LYS 112 -1.657 19.738 -3.675 880 HA LYS 112 HA LYS 112 -0.134 21.174 -3.861 881 HB2 LYS 112 1HB LYS 112 0.070 20.855 -1.548 882 HB3 LYS 112 2HB LYS 112 1.210 19.511 -1.764 883 HG2 LYS 112 1HG LYS 112 2.948 20.923 -2.545 884 HG3 LYS 112 2HG LYS 112 1.828 22.245 -2.917 885 HD2 LYS 112 1HD LYS 112 3.051 22.880 -1.075 886 HD3 LYS 112 2HD LYS 112 1.359 22.534 -0.581 887 HE2 LYS 112 1HE LYS 112 1.977 20.674 0.708 888 HE3 LYS 112 2HE LYS 112 3.212 20.200 -0.453 889 HZ1 LYS 112 3HZ LYS 112 3.591 22.265 1.642 890 HZ2 LYS 112 1HZ LYS 112 4.266 20.751 1.513 891 HZ3 LYS 112 2HZ LYS 112 4.659 21.882 0.432 892 HA PRO 113 HA PRO 113 3.173 19.907 -6.703 893 HB2 PRO 113 1HB PRO 113 3.782 22.337 -7.656 894 HB3 PRO 113 2HB PRO 113 2.254 21.530 -8.122 895 HG2 PRO 113 1HG PRO 113 2.624 23.574 -5.861 896 HG3 PRO 113 2HG PRO 113 1.449 23.625 -7.223 897 HD2 PRO 113 1HD PRO 113 0.869 22.693 -4.783 898 HD3 PRO 113 2HD PRO 113 0.179 21.896 -6.214 899 H VAL 114 H VAL 114 5.336 20.175 -6.676 900 HA VAL 114 HA VAL 114 7.449 20.283 -5.872 901 HB VAL 114 HB VAL 114 6.211 21.208 -3.297 902 HG11 VAL 114 1HG1 VAL 114 9.144 20.564 -3.922 903 HG12 VAL 114 2HG1 VAL 114 8.529 21.202 -2.378 904 HG13 VAL 114 3HG1 VAL 114 8.120 19.568 -2.900 905 HG21 VAL 114 3HG2 VAL 114 8.325 22.464 -5.101 906 HG22 VAL 114 1HG2 VAL 114 6.641 22.982 -5.021 907 HG23 VAL 114 2HG2 VAL 114 7.678 23.179 -3.597 908 H ASP 115 H ASP 115 7.139 18.336 -6.515 909 HA ASP 115 HA ASP 115 6.777 16.405 -4.285 910 HB2 ASP 115 1HB ASP 115 5.484 15.601 -6.178 911 HB3 ASP 115 2HB ASP 115 6.838 15.867 -7.280 912 H THR 116 H THR 116 8.768 16.785 -7.235 913 HA THR 116 HA THR 116 11.103 15.664 -6.133 914 HB THR 116 HB THR 116 10.743 17.471 -8.544 915 HG1 THR 116 1HG THR 116 10.638 14.641 -8.488 916 HG21 THR 116 3HG2 THR 116 12.874 15.377 -7.947 917 HG22 THR 116 1HG2 THR 116 12.613 16.117 -9.544 918 HG23 THR 116 2HG2 THR 116 13.102 17.121 -8.185 Start of MODEL 3 1 H1 MET 1 H MET 1 -10.687 -17.612 -3.513 2 HA MET 1 HA MET 1 -10.833 -19.434 -1.186 3 HB2 MET 1 1HB MET 1 -9.912 -16.539 -1.394 4 HB3 MET 1 2HB MET 1 -10.361 -17.311 0.132 5 HG2 MET 1 1HG MET 1 -8.121 -18.205 -1.707 6 HG3 MET 1 2HG MET 1 -7.963 -17.371 -0.155 7 HE1 MET 1 3HE MET 1 -6.493 -19.011 1.187 8 HE2 MET 1 1HE MET 1 -6.640 -20.782 1.090 9 HE3 MET 1 2HE MET 1 -6.197 -19.856 -0.358 10 H TYR 2 H TYR 2 -12.482 -19.065 0.363 11 HA TYR 2 HA TYR 2 -14.535 -17.067 -0.097 12 HB2 TYR 2 1HB TYR 2 -15.580 -18.732 -1.397 13 HB3 TYR 2 2HB TYR 2 -15.066 -20.029 -0.320 14 HD1 TYR 2 1HD TYR 2 -17.024 -16.776 0.040 15 HD2 TYR 2 2HD TYR 2 -16.797 -21.002 0.880 16 HE1 TYR 2 1HE TYR 2 -19.116 -16.635 1.374 17 HE2 TYR 2 2HE TYR 2 -18.869 -20.863 2.204 18 HH TYR 2 HH TYR 2 -20.096 -18.775 3.625 19 H THR 3 H THR 3 -14.089 -16.144 1.782 20 HA THR 3 HA THR 3 -14.147 -17.745 4.289 21 HB THR 3 HB THR 3 -12.589 -15.185 3.732 22 HG1 THR 3 1HG THR 3 -11.795 -17.904 3.739 23 HG21 THR 3 3HG2 THR 3 -12.841 -15.510 6.138 24 HG22 THR 3 1HG2 THR 3 -12.383 -17.217 6.001 25 HG23 THR 3 2HG2 THR 3 -11.200 -15.926 5.674 26 H GLU 4 H GLU 4 -16.186 -16.167 2.539 27 HA GLU 4 HA GLU 4 -18.163 -15.167 2.906 28 HB2 GLU 4 1HB GLU 4 -17.963 -17.194 4.420 29 HB3 GLU 4 2HB GLU 4 -17.848 -16.071 5.778 30 HG2 GLU 4 1HG GLU 4 -20.042 -15.151 5.246 31 HG3 GLU 4 2HG GLU 4 -20.119 -16.086 3.751 32 H GLN 5 H GLN 5 -18.125 -13.013 2.551 33 HA GLN 5 HA GLN 5 -17.730 -10.922 2.611 34 HB2 GLN 5 1HB GLN 5 -19.022 -11.131 4.724 35 HB3 GLN 5 2HB GLN 5 -17.480 -11.032 5.581 36 HG2 GLN 5 1HG GLN 5 -18.470 -8.913 3.698 37 HG3 GLN 5 2HG GLN 5 -18.910 -8.951 5.414 38 HE21 GLN 5 1HE2 GLN 5 -17.086 -6.993 3.688 39 HE22 GLN 5 2HE2 GLN 5 -15.562 -7.168 4.507 40 HA PRO 6 HA PRO 6 -13.186 -10.933 2.648 41 HB2 PRO 6 1HB PRO 6 -12.733 -8.675 1.219 42 HB3 PRO 6 2HB PRO 6 -13.490 -10.105 0.465 43 HG2 PRO 6 1HG PRO 6 -14.887 -7.614 1.468 44 HG3 PRO 6 2HG PRO 6 -15.094 -8.503 -0.057 45 HD2 PRO 6 1HD PRO 6 -16.686 -8.921 2.268 46 HD3 PRO 6 2HD PRO 6 -16.450 -10.105 0.949 47 H ILE 7 H ILE 7 -12.094 -10.377 4.258 48 HA ILE 7 HA ILE 7 -13.060 -9.204 6.474 49 HB ILE 7 HB ILE 7 -10.096 -9.037 5.901 50 HG12 ILE 7 1HG1 ILE 7 -11.357 -11.515 7.088 51 HG13 ILE 7 2HG1 ILE 7 -11.049 -11.382 5.361 52 HG21 ILE 7 1HG2 ILE 7 -10.860 -7.947 7.939 53 HG22 ILE 7 2HG2 ILE 7 -11.824 -9.364 8.400 54 HG23 ILE 7 3HG2 ILE 7 -10.063 -9.450 8.430 55 HD11 ILE 7 3HD1 ILE 7 -8.651 -10.968 5.738 56 HD12 ILE 7 1HD1 ILE 7 -8.891 -11.092 7.493 57 HD13 ILE 7 2HD1 ILE 7 -9.181 -12.498 6.470 58 H ASP 8 H ASP 8 -14.079 -7.452 6.482 59 HA ASP 8 HA ASP 8 -14.857 -5.437 5.937 60 HB2 ASP 8 1HB ASP 8 -12.986 -5.268 8.084 61 HB3 ASP 8 2HB ASP 8 -12.764 -3.860 7.135 62 H LEU 9 H LEU 9 -13.154 -6.411 3.717 63 HA LEU 9 HA LEU 9 -11.622 -4.119 2.878 64 HB2 LEU 9 1HB LEU 9 -11.405 -6.872 2.555 65 HB3 LEU 9 2HB LEU 9 -12.037 -6.384 0.988 66 HG LEU 9 HG LEU 9 -9.490 -5.405 2.370 67 HD11 LEU 9 1HD1 LEU 9 -9.485 -7.664 1.327 68 HD12 LEU 9 2HD1 LEU 9 -10.019 -6.910 -0.208 69 HD13 LEU 9 3HD1 LEU 9 -8.415 -6.526 0.483 70 HD21 LEU 9 3HD2 LEU 9 -8.975 -4.319 0.125 71 HD22 LEU 9 1HD2 LEU 9 -10.666 -4.552 -0.305 72 HD23 LEU 9 2HD2 LEU 9 -10.226 -3.509 1.051 73 H VAL 10 H VAL 10 -12.092 -2.772 1.353 74 HA VAL 10 HA VAL 10 -14.563 -2.957 -0.228 75 HB VAL 10 HB VAL 10 -14.960 -0.439 0.806 76 HG11 VAL 10 1HG1 VAL 10 -16.191 -3.050 1.737 77 HG12 VAL 10 2HG1 VAL 10 -16.938 -1.439 1.854 78 HG13 VAL 10 3HG1 VAL 10 -16.650 -2.163 0.264 79 HG21 VAL 10 3HG2 VAL 10 -15.109 -0.643 3.225 80 HG22 VAL 10 1HG2 VAL 10 -14.455 -2.263 3.192 81 HG23 VAL 10 2HG2 VAL 10 -13.408 -0.907 2.749 82 HA PRO 11 HA PRO 11 -11.742 -0.687 -2.760 83 HB2 PRO 11 1HB PRO 11 -13.375 -0.065 -4.841 84 HB3 PRO 11 2HB PRO 11 -12.611 -1.645 -4.573 85 HG2 PRO 11 1HG PRO 11 -15.462 -0.902 -4.180 86 HG3 PRO 11 2HG PRO 11 -14.755 -2.487 -4.573 87 HD2 PRO 11 1HD PRO 11 -15.581 -1.554 -2.006 88 HD3 PRO 11 2HD PRO 11 -14.654 -3.038 -2.348 89 H THR 12 H THR 12 -11.312 1.530 -3.180 90 HA THR 12 HA THR 12 -13.288 3.556 -2.643 91 HB THR 12 HB THR 12 -12.471 3.140 -0.348 92 HG1 THR 12 1HG THR 12 -12.639 5.173 -0.045 93 HG21 THR 12 3HG2 THR 12 -9.708 3.935 -1.391 94 HG22 THR 12 1HG2 THR 12 -10.183 3.742 0.312 95 HG23 THR 12 2HG2 THR 12 -10.198 2.340 -0.754 96 H GLN 13 H GLN 13 -11.412 5.703 -2.756 97 HA GLN 13 HA GLN 13 -9.865 5.108 -5.195 98 HB2 GLN 13 1HB GLN 13 -10.818 6.912 -6.523 99 HB3 GLN 13 2HB GLN 13 -12.019 5.718 -6.087 100 HG2 GLN 13 1HG GLN 13 -12.658 7.369 -4.147 101 HG3 GLN 13 2HG GLN 13 -11.745 8.555 -5.088 102 HE21 GLN 13 1HE2 GLN 13 -14.749 6.928 -4.759 103 HE22 GLN 13 2HE2 GLN 13 -15.501 7.627 -6.171 104 HA PRO 14 HA PRO 14 -7.049 8.004 -3.378 105 HB2 PRO 14 1HB PRO 14 -5.436 8.551 -5.492 106 HB3 PRO 14 2HB PRO 14 -5.445 6.936 -4.701 107 HG2 PRO 14 1HG PRO 14 -6.899 7.780 -7.227 108 HG3 PRO 14 2HG PRO 14 -5.889 6.322 -6.960 109 HD2 PRO 14 1HD PRO 14 -8.629 6.283 -6.734 110 HD3 PRO 14 2HD PRO 14 -7.584 5.267 -5.703 111 H LEU 15 H LEU 15 -6.733 10.280 -3.349 112 HA LEU 15 HA LEU 15 -9.068 11.687 -4.073 113 HB2 LEU 15 1HB LEU 15 -6.319 12.550 -3.107 114 HB3 LEU 15 2HB LEU 15 -7.594 13.707 -3.482 115 HG LEU 15 HG LEU 15 -8.430 11.471 -1.683 116 HD11 LEU 15 1HD1 LEU 15 -6.631 13.690 -0.618 117 HD12 LEU 15 2HD1 LEU 15 -7.523 12.487 0.333 118 HD13 LEU 15 3HD1 LEU 15 -6.200 11.976 -0.705 119 HD21 LEU 15 3HD2 LEU 15 -9.640 13.302 -0.618 120 HD22 LEU 15 1HD2 LEU 15 -8.752 14.501 -1.572 121 HD23 LEU 15 2HD2 LEU 15 -9.901 13.378 -2.361 122 HA PRO 16 HA PRO 16 -7.982 13.389 -8.119 123 HB2 PRO 16 1HB PRO 16 -9.547 15.643 -8.048 124 HB3 PRO 16 2HB PRO 16 -10.214 13.994 -8.373 125 HG2 PRO 16 1HG PRO 16 -10.318 15.623 -5.852 126 HG3 PRO 16 2HG PRO 16 -11.542 14.496 -6.517 127 HD2 PRO 16 1HD PRO 16 -9.685 13.966 -4.499 128 HD3 PRO 16 2HD PRO 16 -10.533 12.709 -5.408 129 H ASN 17 H ASN 17 -6.811 15.313 -8.842 130 HA ASN 17 HA ASN 17 -4.924 16.544 -8.605 131 HB2 ASN 17 1HB ASN 17 -5.295 18.739 -7.546 132 HB3 ASN 17 2HB ASN 17 -6.613 18.271 -8.600 133 HD21 ASN 17 1HD2 ASN 17 -5.621 18.279 -5.246 134 HD22 ASN 17 2HD2 ASN 17 -7.218 18.512 -4.530 135 H ALA 18 H ALA 18 -4.692 14.311 -7.122 136 HA ALA 18 HA ALA 18 -3.418 14.992 -4.567 137 HB1 ALA 18 1HB ALA 18 -4.649 12.893 -4.707 138 HB2 ALA 18 2HB ALA 18 -3.616 12.349 -6.057 139 HB3 ALA 18 3HB ALA 18 -2.936 12.599 -4.428 140 H SER 19 H SER 19 -0.990 14.389 -4.359 141 HA SER 19 HA SER 19 0.503 13.946 -6.765 142 HB2 SER 19 1HB SER 19 0.093 16.538 -6.546 143 HB3 SER 19 2HB SER 19 1.261 16.440 -5.215 144 HG SER 19 HG SER 19 2.096 16.861 -7.398 145 H PHE 20 H PHE 20 2.445 13.063 -6.233 146 HA PHE 20 HA PHE 20 2.791 12.007 -3.632 147 HB2 PHE 20 1HB PHE 20 3.729 11.008 -5.745 148 HB3 PHE 20 2HB PHE 20 4.820 12.377 -5.890 149 HD1 PHE 20 2HD PHE 20 3.905 10.282 -2.870 150 HD2 PHE 20 1HD PHE 20 6.998 11.519 -5.619 151 HE1 PHE 20 2HE PHE 20 5.639 9.370 -1.344 152 HE2 PHE 20 1HE PHE 20 8.686 10.528 -4.142 153 HZ PHE 20 HZ PHE 20 7.995 9.546 -1.923 154 H ASP 21 H ASP 21 5.071 12.459 -2.409 155 HA ASP 21 HA ASP 21 5.602 15.284 -2.227 156 HB2 ASP 21 1HB ASP 21 3.496 15.049 -0.902 157 HB3 ASP 21 2HB ASP 21 4.281 13.816 0.095 158 H ASN 22 H ASN 22 7.111 15.369 0.022 159 HA ASN 22 HA ASN 22 9.245 13.418 -0.283 160 HB2 ASN 22 1HB ASN 22 8.744 15.927 1.308 161 HB3 ASN 22 2HB ASN 22 9.961 14.818 1.911 162 HD21 ASN 22 1HD2 ASN 22 11.588 13.911 0.113 163 HD22 ASN 22 2HD2 ASN 22 12.221 15.188 -0.828 164 H PHE 23 H PHE 23 6.367 12.507 0.730 165 HA PHE 23 HA PHE 23 6.955 11.635 3.439 166 HB2 PHE 23 1HB PHE 23 5.032 10.317 3.416 167 HB3 PHE 23 2HB PHE 23 4.607 11.837 2.676 168 HD1 PHE 23 2HD PHE 23 5.388 8.215 2.025 169 HD2 PHE 23 1HD PHE 23 3.413 11.783 0.623 170 HE1 PHE 23 2HE PHE 23 4.177 6.879 0.345 171 HE2 PHE 23 1HE PHE 23 2.219 10.452 -1.040 172 HZ PHE 23 HZ PHE 23 2.604 7.980 -1.229 173 H LYS 24 H LYS 24 8.105 9.851 4.037 174 HA LYS 24 HA LYS 24 9.102 7.942 2.001 175 HB2 LYS 24 1HB LYS 24 10.730 8.843 3.560 176 HB3 LYS 24 2HB LYS 24 9.762 8.443 4.957 177 HG2 LYS 24 1HG LYS 24 10.117 6.119 4.645 178 HG3 LYS 24 2HG LYS 24 10.682 6.372 2.977 179 HD2 LYS 24 1HD LYS 24 12.698 7.607 4.185 180 HD3 LYS 24 2HD LYS 24 12.153 6.674 5.603 181 HE2 LYS 24 1HE LYS 24 12.062 4.634 4.175 182 HE3 LYS 24 2HE LYS 24 12.615 5.563 2.793 183 HZ1 LYS 24 3HZ LYS 24 14.401 4.294 3.872 184 HZ2 LYS 24 1HZ LYS 24 14.752 5.888 3.906 185 HZ3 LYS 24 2HZ LYS 24 14.202 5.143 5.269 186 H LEU 25 H LEU 25 8.763 5.706 2.356 187 HA LEU 25 HA LEU 25 6.547 4.945 4.239 188 HB2 LEU 25 1HB LEU 25 7.675 3.276 1.950 189 HB3 LEU 25 2HB LEU 25 6.400 2.842 3.075 190 HG LEU 25 HG LEU 25 5.205 5.039 2.134 191 HD11 LEU 25 1HD1 LEU 25 7.132 4.228 -0.097 192 HD12 LEU 25 2HD1 LEU 25 5.682 5.218 -0.365 193 HD13 LEU 25 3HD1 LEU 25 6.994 5.818 0.653 194 HD21 LEU 25 3HD2 LEU 25 4.327 2.752 2.014 195 HD22 LEU 25 1HD2 LEU 25 4.051 3.617 0.514 196 HD23 LEU 25 2HD2 LEU 25 5.366 2.420 0.596 197 H THR 26 H THR 26 6.963 3.465 5.838 198 HA THR 26 HA THR 26 9.562 2.088 5.953 199 HB THR 26 HB THR 26 9.694 2.498 8.332 200 HG1 THR 26 1HG THR 26 7.354 4.070 8.004 201 HG21 THR 26 3HG2 THR 26 9.244 5.184 6.964 202 HG22 THR 26 1HG2 THR 26 10.186 4.872 8.427 203 HG23 THR 26 2HG2 THR 26 10.739 4.219 6.881 204 H CYS 27 H CYS 27 9.290 0.212 7.565 205 HA CYS 27 HA CYS 27 6.902 -1.076 8.210 206 HB2 CYS 27 1HB CYS 27 6.256 -1.224 5.901 207 HB3 CYS 27 2HB CYS 27 7.923 -1.522 5.413 208 HG CYS 27 HG CYS 27 8.148 -3.809 5.690 209 H SER 28 H SER 28 7.470 -3.327 8.798 210 HA SER 28 HA SER 28 10.069 -3.400 10.062 211 HB2 SER 28 1HB SER 28 9.352 -5.758 10.627 212 HB3 SER 28 2HB SER 28 8.277 -4.464 11.195 213 HG SER 28 HG SER 28 7.348 -6.391 10.113 214 H ASN 29 H ASN 29 8.552 -5.251 7.468 215 HA ASN 29 HA ASN 29 10.975 -6.386 6.345 216 HB2 ASN 29 1HB ASN 29 8.654 -7.267 5.894 217 HB3 ASN 29 2HB ASN 29 8.323 -5.811 4.942 218 HD21 ASN 29 1HD2 ASN 29 9.908 -8.810 5.031 219 HD22 ASN 29 2HD2 ASN 29 10.701 -8.785 3.457 220 H THR 30 H THR 30 12.590 -4.973 5.673 221 HA THR 30 HA THR 30 11.938 -2.277 5.005 222 HB THR 30 HB THR 30 14.153 -1.832 4.626 223 HG1 THR 30 1HG THR 30 14.901 -4.544 4.308 224 HG21 THR 30 3HG2 THR 30 13.613 -2.675 6.940 225 HG22 THR 30 1HG2 THR 30 14.364 -4.220 6.499 226 HG23 THR 30 2HG2 THR 30 15.322 -2.721 6.484 227 H LYS 31 H LYS 31 12.775 -5.084 2.855 228 HA LYS 31 HA LYS 31 12.849 -3.803 0.456 229 HB2 LYS 31 1HB LYS 31 13.489 -6.118 0.774 230 HB3 LYS 31 2HB LYS 31 11.851 -6.571 1.213 231 HG2 LYS 31 1HG LYS 31 12.407 -7.263 -1.063 232 HG3 LYS 31 2HG LYS 31 11.040 -6.143 -1.069 233 HD2 LYS 31 1HD LYS 31 12.281 -4.406 -2.030 234 HD3 LYS 31 2HD LYS 31 13.830 -4.991 -1.419 235 HE2 LYS 31 1HE LYS 31 14.098 -6.556 -3.016 236 HE3 LYS 31 2HE LYS 31 12.357 -6.779 -3.283 237 HZ1 LYS 31 3HZ LYS 31 13.698 -4.284 -4.053 238 HZ2 LYS 31 1HZ LYS 31 13.673 -5.563 -5.081 239 HZ3 LYS 31 2HZ LYS 31 12.252 -4.877 -4.595 240 H PHE 32 H PHE 32 9.890 -5.023 2.156 241 HA PHE 32 HA PHE 32 8.113 -4.486 0.095 242 HB2 PHE 32 1HB PHE 32 7.774 -5.573 2.426 243 HB3 PHE 32 2HB PHE 32 7.536 -3.929 3.019 244 HD1 PHE 32 1HD PHE 32 6.478 -5.896 -0.022 245 HD2 PHE 32 2HD PHE 32 5.183 -3.569 3.371 246 HE1 PHE 32 1HE PHE 32 4.126 -6.256 -0.683 247 HE2 PHE 32 2HE PHE 32 2.841 -3.904 2.697 248 HZ PHE 32 HZ PHE 32 2.301 -5.239 0.634 249 H ALA 33 H ALA 33 9.020 -2.189 2.726 250 HA ALA 33 HA ALA 33 7.543 0.006 1.574 251 HB1 ALA 33 1HB ALA 33 8.947 1.378 3.139 252 HB2 ALA 33 2HB ALA 33 8.078 0.061 3.934 253 HB3 ALA 33 3HB ALA 33 9.828 -0.088 3.597 254 H ASP 34 H ASP 34 10.788 -1.252 1.150 255 HA ASP 34 HA ASP 34 11.972 1.116 0.008 256 HB2 ASP 34 1HB ASP 34 13.223 -0.725 1.104 257 HB3 ASP 34 2HB ASP 34 12.807 -1.795 -0.242 258 H ASP 35 H ASP 35 10.772 -1.882 -1.500 259 HA ASP 35 HA ASP 35 11.198 -1.171 -4.246 260 HB2 ASP 35 1HB ASP 35 10.590 -3.416 -2.968 261 HB3 ASP 35 2HB ASP 35 8.953 -2.898 -3.226 262 H LEU 36 H LEU 36 8.485 -0.693 -1.944 263 HA LEU 36 HA LEU 36 6.772 0.594 -3.813 264 HB2 LEU 36 1HB LEU 36 6.914 0.588 -0.781 265 HB3 LEU 36 2HB LEU 36 5.724 1.563 -1.630 266 HG LEU 36 HG LEU 36 5.987 -1.438 -2.074 267 HD11 LEU 36 1HD1 LEU 36 3.931 -1.591 -0.595 268 HD12 LEU 36 2HD1 LEU 36 5.396 -1.114 0.263 269 HD13 LEU 36 3HD1 LEU 36 4.181 0.107 -0.167 270 HD21 LEU 36 3HD2 LEU 36 4.793 0.022 -3.823 271 HD22 LEU 36 1HD2 LEU 36 3.886 -1.303 -3.130 272 HD23 LEU 36 2HD2 LEU 36 3.587 0.366 -2.575 273 H ASN 37 H ASN 37 9.164 2.006 -1.479 274 HA ASN 37 HA ASN 37 8.696 4.753 -1.987 275 HB2 ASN 37 1HB ASN 37 11.124 3.125 -1.086 276 HB3 ASN 37 2HB ASN 37 11.248 4.791 -1.442 277 HD21 ASN 37 1HD2 ASN 37 10.922 2.768 1.123 278 HD22 ASN 37 2HD2 ASN 37 10.161 3.854 2.254 279 H GLN 38 H GLN 38 10.426 2.237 -3.821 280 HA GLN 38 HA GLN 38 11.770 4.071 -5.586 281 HB2 GLN 38 1HB GLN 38 11.697 1.215 -5.011 282 HB3 GLN 38 2HB GLN 38 11.537 1.459 -6.727 283 HG2 GLN 38 1HG GLN 38 13.694 2.839 -5.071 284 HG3 GLN 38 2HG GLN 38 13.888 1.228 -5.730 285 HE21 GLN 38 1HE2 GLN 38 14.035 0.946 -8.073 286 HE22 GLN 38 2HE2 GLN 38 14.551 2.306 -9.060 287 H MET 39 H MET 39 8.435 2.573 -5.548 288 HA MET 39 HA MET 39 8.101 3.073 -8.339 289 HB2 MET 39 1HB MET 39 6.166 2.572 -6.051 290 HB3 MET 39 2HB MET 39 5.688 2.736 -7.746 291 HG2 MET 39 1HG MET 39 6.734 0.740 -8.387 292 HG3 MET 39 2HG MET 39 7.771 0.704 -6.968 293 HE1 MET 39 3HE MET 39 3.299 0.206 -6.099 294 HE2 MET 39 1HE MET 39 4.103 1.629 -6.781 295 HE3 MET 39 2HE MET 39 3.717 0.248 -7.816 296 H THR 40 H THR 40 7.616 4.972 -5.303 297 HA THR 40 HA THR 40 6.095 7.026 -6.706 298 HB THR 40 HB THR 40 6.363 8.298 -4.632 299 HG1 THR 40 1HG THR 40 7.492 7.533 -2.947 300 HG21 THR 40 3HG2 THR 40 5.637 5.460 -3.898 301 HG22 THR 40 1HG2 THR 40 5.016 6.957 -3.184 302 HG23 THR 40 2HG2 THR 40 4.561 6.524 -4.848 303 H GLY 41 H GLY 41 9.449 6.569 -5.626 304 HA2 GLY 41 1HA GLY 41 11.355 7.665 -6.700 305 HA3 GLY 41 2HA GLY 41 10.307 9.033 -7.097 306 H PHE 42 H PHE 42 10.132 7.349 -3.975 307 HA PHE 42 HA PHE 42 10.078 9.736 -2.485 308 HB2 PHE 42 1HB PHE 42 9.223 7.842 -1.356 309 HB3 PHE 42 2HB PHE 42 10.592 6.853 -1.840 310 HD1 PHE 42 1HD PHE 42 10.022 10.072 0.138 311 HD2 PHE 42 2HD PHE 42 12.237 6.363 -0.277 312 HE1 PHE 42 1HE PHE 42 11.575 10.796 1.823 313 HE2 PHE 42 2HE PHE 42 13.672 7.019 1.576 314 HZ PHE 42 HZ PHE 42 13.349 9.246 2.656 315 H THR 43 H THR 43 11.559 11.181 -1.887 316 HA THR 43 HA THR 43 14.455 10.486 -2.025 317 HB THR 43 HB THR 43 12.820 12.895 -2.946 318 HG1 THR 43 1HG THR 43 12.853 11.150 -4.396 319 HG21 THR 43 3HG2 THR 43 15.011 13.710 -3.856 320 HG22 THR 43 1HG2 THR 43 14.842 13.838 -2.107 321 HG23 THR 43 2HG2 THR 43 15.834 12.532 -2.806 322 H LYS 44 H LYS 44 15.426 10.664 -0.104 323 HA LYS 44 HA LYS 44 14.321 12.194 2.101 324 HB2 LYS 44 1HB LYS 44 16.829 10.691 1.453 325 HB3 LYS 44 2HB LYS 44 16.957 11.899 2.704 326 HG2 LYS 44 1HG LYS 44 14.687 10.621 3.511 327 HG3 LYS 44 2HG LYS 44 15.546 9.275 2.717 328 HD2 LYS 44 1HD LYS 44 16.608 11.114 4.898 329 HD3 LYS 44 2HD LYS 44 15.931 9.502 5.167 330 HE2 LYS 44 1HE LYS 44 17.727 8.438 3.972 331 HE3 LYS 44 2HE LYS 44 18.372 9.998 3.412 332 HZ1 LYS 44 3HZ LYS 44 18.100 9.337 6.263 333 HZ2 LYS 44 1HZ LYS 44 19.453 8.975 5.444 334 HZ3 LYS 44 2HZ LYS 44 18.987 10.561 5.576 335 HA PRO 45 HA PRO 45 15.635 13.110 3.835 336 HB2 PRO 45 1HB PRO 45 15.227 15.400 5.141 337 HB3 PRO 45 2HB PRO 45 16.874 14.801 4.749 338 HG2 PRO 45 1HG PRO 45 15.251 16.926 3.324 339 HG3 PRO 45 2HG PRO 45 17.005 16.931 3.690 340 HD2 PRO 45 1HD PRO 45 15.955 16.219 1.239 341 HD3 PRO 45 2HD PRO 45 17.473 15.519 1.883 342 H ALA 46 H ALA 46 13.695 12.357 4.557 343 HA ALA 46 HA ALA 46 11.423 13.089 2.990 344 HB1 ALA 46 1HB ALA 46 12.131 10.758 3.992 345 HB2 ALA 46 2HB ALA 46 11.265 11.307 5.435 346 HB3 ALA 46 3HB ALA 46 10.426 11.176 3.873 347 H SER 47 H SER 47 9.534 14.030 3.590 348 HA SER 47 HA SER 47 9.474 15.744 5.984 349 HB2 SER 47 1HB SER 47 7.647 15.543 3.565 350 HB3 SER 47 2HB SER 47 7.462 16.708 4.893 351 HG SER 47 HG SER 47 9.430 17.584 4.426 352 H ARG 48 H ARG 48 8.378 12.607 5.141 353 HA ARG 48 HA ARG 48 6.902 12.403 7.630 354 HB2 ARG 48 1HB ARG 48 5.570 11.658 4.997 355 HB3 ARG 48 2HB ARG 48 4.997 11.170 6.565 356 HG2 ARG 48 1HG ARG 48 4.829 13.639 7.114 357 HG3 ARG 48 2HG ARG 48 5.032 13.937 5.380 358 HD2 ARG 48 1HD ARG 48 3.100 12.485 4.894 359 HD3 ARG 48 2HD ARG 48 2.889 12.130 6.603 360 HE ARG 48 HE ARG 48 2.887 14.967 6.180 361 HH11 ARG 48 2HH2 ARG 48 0.619 12.250 5.513 362 HH12 ARG 48 1HH2 ARG 48 -0.699 13.056 6.275 363 HH21 ARG 48 2HH1 ARG 48 1.090 15.859 7.403 364 HH22 ARG 48 1HH1 ARG 48 -0.491 15.188 7.072 365 H GLU 49 H GLU 49 6.264 10.104 7.849 366 HA GLU 49 HA GLU 49 7.802 8.136 6.387 367 HB2 GLU 49 1HB GLU 49 8.369 8.651 9.319 368 HB3 GLU 49 2HB GLU 49 8.530 7.036 8.603 369 HG2 GLU 49 1HG GLU 49 10.262 7.710 7.129 370 HG3 GLU 49 2HG GLU 49 9.964 9.423 7.448 371 H LEU 50 H LEU 50 5.899 7.323 5.783 372 HA LEU 50 HA LEU 50 3.622 6.698 7.570 373 HB2 LEU 50 1HB LEU 50 4.368 5.723 4.778 374 HB3 LEU 50 2HB LEU 50 2.983 5.137 5.645 375 HG LEU 50 HG LEU 50 2.460 6.784 3.926 376 HD11 LEU 50 1HD1 LEU 50 0.855 8.113 5.261 377 HD12 LEU 50 2HD1 LEU 50 0.882 6.405 5.708 378 HD13 LEU 50 3HD1 LEU 50 1.684 7.619 6.739 379 HD21 LEU 50 3HD2 LEU 50 2.826 9.099 4.068 380 HD22 LEU 50 1HD2 LEU 50 3.612 8.963 5.665 381 HD23 LEU 50 2HD2 LEU 50 4.395 8.291 4.210 382 H SER 51 H SER 51 3.161 4.370 8.237 383 HA SER 51 HA SER 51 5.411 2.511 7.856 384 HB2 SER 51 1HB SER 51 5.342 3.865 10.220 385 HB3 SER 51 2HB SER 51 4.257 2.518 10.608 386 HG SER 51 HG SER 51 6.958 2.526 9.760 387 H VAL 52 H VAL 52 4.757 0.273 7.934 388 HA VAL 52 HA VAL 52 1.808 -0.086 7.614 389 HB VAL 52 HB VAL 52 4.009 -1.205 5.849 390 HG11 VAL 52 1HG1 VAL 52 2.221 -1.656 4.244 391 HG12 VAL 52 2HG1 VAL 52 1.879 -2.466 5.766 392 HG13 VAL 52 3HG1 VAL 52 1.002 -0.991 5.350 393 HG21 VAL 52 3HG2 VAL 52 4.229 1.066 5.363 394 HG22 VAL 52 1HG2 VAL 52 3.007 0.567 4.190 395 HG23 VAL 52 2HG2 VAL 52 2.531 1.422 5.659 396 H THR 53 H THR 53 0.951 -2.156 8.151 397 HA THR 53 HA THR 53 2.851 -4.092 9.340 398 HB THR 53 HB THR 53 1.109 -4.588 11.064 399 HG1 THR 53 1HG THR 53 -0.606 -3.527 10.334 400 HG21 THR 53 3HG2 THR 53 1.859 -2.850 12.576 401 HG22 THR 53 1HG2 THR 53 3.202 -3.378 11.550 402 HG23 THR 53 2HG2 THR 53 2.384 -1.828 11.212 403 H PHE 54 H PHE 54 2.517 -6.182 8.930 404 HA PHE 54 HA PHE 54 0.512 -6.985 6.935 405 HB2 PHE 54 1HB PHE 54 2.625 -8.566 8.458 406 HB3 PHE 54 2HB PHE 54 1.589 -9.202 7.188 407 HD1 PHE 54 2HD PHE 54 1.737 -8.098 4.841 408 HD2 PHE 54 1HD PHE 54 4.717 -7.577 7.907 409 HE1 PHE 54 2HE PHE 54 3.349 -7.242 3.142 410 HE2 PHE 54 1HE PHE 54 6.326 -6.784 6.215 411 HZ PHE 54 HZ PHE 54 5.656 -6.617 3.822 412 H PHE 55 H PHE 55 -1.446 -7.766 7.494 413 HA PHE 55 HA PHE 55 -2.609 -7.672 9.918 414 HB2 PHE 55 1HB PHE 55 -3.241 -8.476 7.281 415 HB3 PHE 55 2HB PHE 55 -3.605 -9.871 8.250 416 HD1 PHE 55 1HD PHE 55 -4.075 -6.138 8.840 417 HD2 PHE 55 2HD PHE 55 -5.908 -10.035 8.569 418 HE1 PHE 55 1HE PHE 55 -6.287 -5.146 9.250 419 HE2 PHE 55 2HE PHE 55 -8.081 -9.050 9.116 420 HZ PHE 55 HZ PHE 55 -8.310 -6.591 9.423 421 HA PRO 56 HA PRO 56 -4.359 -9.044 10.918 422 HB2 PRO 56 1HB PRO 56 -4.789 -9.654 13.549 423 HB3 PRO 56 2HB PRO 56 -5.032 -10.848 12.239 424 HG2 PRO 56 1HG PRO 56 -2.589 -10.453 13.991 425 HG3 PRO 56 2HG PRO 56 -3.461 -11.984 13.628 426 HD2 PRO 56 1HD PRO 56 -1.212 -11.250 12.250 427 HD3 PRO 56 2HD PRO 56 -2.569 -12.091 11.448 428 H ASP 57 H ASP 57 -1.259 -8.225 12.066 429 HA ASP 57 HA ASP 57 -1.885 -6.143 13.915 430 HB2 ASP 57 1HB ASP 57 0.506 -6.664 12.096 431 HB3 ASP 57 2HB ASP 57 0.394 -5.320 13.211 432 H LEU 58 H LEU 58 -2.838 -4.219 13.415 433 HA LEU 58 HA LEU 58 -2.426 -2.997 10.738 434 HB2 LEU 58 1HB LEU 58 -4.737 -2.315 10.632 435 HB3 LEU 58 2HB LEU 58 -4.469 -4.038 10.514 436 HG LEU 58 HG LEU 58 -4.967 -3.606 13.269 437 HD11 LEU 58 1HD1 LEU 58 -7.156 -2.472 13.235 438 HD12 LEU 58 2HD1 LEU 58 -5.835 -1.380 12.779 439 HD13 LEU 58 3HD1 LEU 58 -6.918 -2.043 11.526 440 HD21 LEU 58 3HD2 LEU 58 -6.911 -4.949 12.924 441 HD22 LEU 58 1HD2 LEU 58 -7.035 -4.475 11.224 442 HD23 LEU 58 2HD2 LEU 58 -5.704 -5.523 11.766 443 H ASN 59 H ASN 59 -1.049 -2.558 13.245 444 HA ASN 59 HA ASN 59 -1.838 -0.071 14.449 445 HB2 ASN 59 1HB ASN 59 0.934 -1.320 14.153 446 HB3 ASN 59 2HB ASN 59 0.533 0.058 15.162 447 HD21 ASN 59 1HD2 ASN 59 0.524 -3.355 14.947 448 HD22 ASN 59 2HD2 ASN 59 -0.320 -3.649 16.493 449 H GLY 60 H GLY 60 -0.077 -0.947 11.550 450 HA2 GLY 60 1HA GLY 60 1.328 1.375 10.920 451 HA3 GLY 60 2HA GLY 60 0.579 0.320 9.716 452 H ASP 61 H ASP 61 0.898 3.008 9.295 453 HA ASP 61 HA ASP 61 -1.670 4.454 9.390 454 HB2 ASP 61 1HB ASP 61 1.001 4.827 7.956 455 HB3 ASP 61 2HB ASP 61 -0.443 5.661 7.396 456 H VAL 62 H VAL 62 -0.099 1.912 7.633 457 HA VAL 62 HA VAL 62 -2.352 1.702 5.764 458 HB VAL 62 HB VAL 62 0.538 1.174 4.991 459 HG11 VAL 62 1HG1 VAL 62 -1.001 -0.078 3.608 460 HG12 VAL 62 2HG1 VAL 62 -1.930 1.383 3.237 461 HG13 VAL 62 3HG1 VAL 62 -0.266 1.215 2.664 462 HG21 VAL 62 3HG2 VAL 62 -1.037 3.690 4.471 463 HG22 VAL 62 1HG2 VAL 62 0.515 3.548 5.314 464 HG23 VAL 62 2HG2 VAL 62 0.451 3.244 3.588 465 H VAL 63 H VAL 63 -2.759 -0.500 5.243 466 HA VAL 63 HA VAL 63 -1.468 -2.450 7.113 467 HB VAL 63 HB VAL 63 -4.324 -2.449 6.031 468 HG11 VAL 63 1HG1 VAL 63 -4.727 -4.056 7.863 469 HG12 VAL 63 2HG1 VAL 63 -3.563 -4.674 6.697 470 HG13 VAL 63 3HG1 VAL 63 -2.991 -4.041 8.260 471 HG21 VAL 63 3HG2 VAL 63 -3.340 -1.461 8.744 472 HG22 VAL 63 1HG2 VAL 63 -4.164 -0.504 7.497 473 HG23 VAL 63 2HG2 VAL 63 -5.043 -1.780 8.324 474 H ALA 64 H ALA 64 -1.192 -4.638 6.156 475 HA ALA 64 HA ALA 64 -1.238 -4.625 3.158 476 HB1 ALA 64 1HB ALA 64 0.775 -6.014 3.263 477 HB2 ALA 64 2HB ALA 64 1.031 -4.475 4.105 478 HB3 ALA 64 3HB ALA 64 0.743 -5.943 5.043 479 H ILE 65 H ILE 65 -2.248 -6.275 2.165 480 HA ILE 65 HA ILE 65 -3.471 -8.383 3.798 481 HB ILE 65 HB ILE 65 -4.691 -6.636 1.702 482 HG12 ILE 65 1HG1 ILE 65 -4.602 -5.699 3.992 483 HG13 ILE 65 2HG1 ILE 65 -6.234 -6.030 3.479 484 HG21 ILE 65 1HG2 ILE 65 -5.852 -9.156 2.958 485 HG22 ILE 65 2HG2 ILE 65 -6.792 -7.941 2.068 486 HG23 ILE 65 3HG2 ILE 65 -5.526 -8.857 1.239 487 HD11 ILE 65 3HD1 ILE 65 -6.424 -7.924 4.979 488 HD12 ILE 65 1HD1 ILE 65 -4.688 -7.953 5.314 489 HD13 ILE 65 2HD1 ILE 65 -5.632 -6.626 5.899 490 H ASP 66 H ASP 66 -3.477 -10.540 2.726 491 HA ASP 66 HA ASP 66 -1.516 -10.785 0.592 492 HB2 ASP 66 1HB ASP 66 -1.896 -12.535 2.341 493 HB3 ASP 66 2HB ASP 66 -3.431 -12.927 1.556 494 H TYR 67 H TYR 67 -1.891 -11.210 -1.538 495 HA TYR 67 HA TYR 67 -3.964 -10.080 -3.072 496 HB2 TYR 67 1HB TYR 67 -1.852 -10.430 -3.928 497 HB3 TYR 67 2HB TYR 67 -1.756 -12.107 -3.366 498 HD1 TYR 67 1HD TYR 67 -3.517 -13.788 -4.473 499 HD2 TYR 67 2HD TYR 67 -1.954 -10.143 -6.219 500 HE1 TYR 67 1HE TYR 67 -3.976 -14.660 -6.746 501 HE2 TYR 67 2HE TYR 67 -2.336 -11.068 -8.491 502 HH TYR 67 HH TYR 67 -2.944 -12.922 -9.696 503 H ARG 68 H ARG 68 -4.085 -13.118 -1.313 504 HA ARG 68 HA ARG 68 -5.896 -14.671 -2.778 505 HB2 ARG 68 1HB ARG 68 -6.021 -13.949 0.150 506 HB3 ARG 68 2HB ARG 68 -6.679 -15.416 -0.549 507 HG2 ARG 68 1HG ARG 68 -3.760 -14.949 -0.876 508 HG3 ARG 68 2HG ARG 68 -4.319 -15.037 0.770 509 HD2 ARG 68 1HD ARG 68 -4.329 -17.257 0.639 510 HD3 ARG 68 2HD ARG 68 -5.446 -17.249 -0.740 511 HE ARG 68 HE ARG 68 -3.069 -16.532 -1.891 512 HH11 ARG 68 2HH2 ARG 68 -3.746 -19.234 0.285 513 HH12 ARG 68 1HH2 ARG 68 -2.892 -20.407 -0.641 514 HH21 ARG 68 2HH1 ARG 68 -1.767 -17.943 -3.022 515 HH22 ARG 68 1HH1 ARG 68 -1.428 -19.532 -2.458 516 H HIS 69 H HIS 69 -6.443 -11.748 -0.897 517 HA HIS 69 HA HIS 69 -9.358 -11.731 -1.412 518 HB2 HIS 69 1HB HIS 69 -7.493 -10.025 0.256 519 HB3 HIS 69 2HB HIS 69 -9.150 -9.526 -0.079 520 HD1 HIS 69 1HD HIS 69 -7.344 -12.576 1.566 521 HD2 HIS 69 2HD HIS 69 -11.058 -10.573 1.329 522 HE1 HIS 69 1HE HIS 69 -8.935 -13.845 3.039 523 H TYR 70 H TYR 70 -6.832 -10.827 -3.424 524 HA TYR 70 HA TYR 70 -7.827 -8.252 -4.277 525 HB2 TYR 70 1HB TYR 70 -5.461 -8.792 -4.488 526 HB3 TYR 70 2HB TYR 70 -5.842 -10.207 -5.452 527 HD1 TYR 70 2HD TYR 70 -7.556 -6.934 -6.074 528 HD2 TYR 70 1HD TYR 70 -4.565 -9.774 -7.313 529 HE1 TYR 70 2HE TYR 70 -7.159 -5.611 -8.133 530 HE2 TYR 70 1HE TYR 70 -4.141 -8.471 -9.358 531 HH TYR 70 HH TYR 70 -4.864 -6.714 -10.636 532 H SER 71 H SER 71 -10.002 -8.564 -4.762 533 HA SER 71 HA SER 71 -10.528 -10.052 -7.268 534 HB2 SER 71 1HB SER 71 -12.151 -9.984 -5.249 535 HB3 SER 71 2HB SER 71 -12.529 -8.347 -5.773 536 HG SER 71 HG SER 71 -13.534 -10.602 -6.696 537 H ALA 72 H ALA 72 -11.660 -8.935 -8.910 538 HA ALA 72 HA ALA 72 -10.469 -6.608 -9.977 539 HB1 ALA 72 1HB ALA 72 -13.196 -7.861 -10.494 540 HB2 ALA 72 2HB ALA 72 -12.369 -6.732 -11.579 541 HB3 ALA 72 3HB ALA 72 -11.669 -8.340 -11.271 542 H SER 73 H SER 73 -13.224 -6.874 -7.653 543 HA SER 73 HA SER 73 -14.420 -4.416 -8.005 544 HB2 SER 73 1HB SER 73 -13.904 -5.088 -5.177 545 HB3 SER 73 2HB SER 73 -15.423 -4.909 -6.053 546 HG SER 73 HG SER 73 -15.252 -7.059 -5.431 547 H PHE 74 H PHE 74 -11.264 -5.188 -6.601 548 HA PHE 74 HA PHE 74 -10.921 -2.468 -5.526 549 HB2 PHE 74 1HB PHE 74 -9.016 -4.798 -5.284 550 HB3 PHE 74 2HB PHE 74 -9.154 -3.391 -4.288 551 HD1 PHE 74 2HD PHE 74 -11.567 -3.073 -3.013 552 HD2 PHE 74 1HD PHE 74 -10.027 -6.775 -4.545 553 HE1 PHE 74 2HE PHE 74 -12.989 -4.343 -1.393 554 HE2 PHE 74 1HE PHE 74 -11.565 -8.029 -3.026 555 HZ PHE 74 HZ PHE 74 -12.985 -6.826 -1.436 556 H LYS 75 H LYS 75 -10.601 -3.133 -8.702 557 HA LYS 75 HA LYS 75 -7.828 -3.195 -9.110 558 HB2 LYS 75 1HB LYS 75 -8.390 -3.693 -11.112 559 HB3 LYS 75 2HB LYS 75 -10.058 -3.566 -10.653 560 HG2 LYS 75 1HG LYS 75 -10.457 -1.858 -11.997 561 HG3 LYS 75 2HG LYS 75 -9.102 -0.938 -11.463 562 HD2 LYS 75 1HD LYS 75 -9.039 -3.155 -13.544 563 HD3 LYS 75 2HD LYS 75 -9.024 -1.411 -13.830 564 HE2 LYS 75 1HE LYS 75 -6.832 -1.216 -12.704 565 HE3 LYS 75 2HE LYS 75 -6.817 -2.971 -12.453 566 HZ1 LYS 75 3HZ LYS 75 -6.851 -1.648 -15.113 567 HZ2 LYS 75 1HZ LYS 75 -5.551 -2.303 -14.392 568 HZ3 LYS 75 2HZ LYS 75 -6.789 -3.279 -14.830 569 H LYS 76 H LYS 76 -9.975 -0.434 -8.564 570 HA LYS 76 HA LYS 76 -7.696 1.375 -9.213 571 HB2 LYS 76 1HB LYS 76 -10.648 1.910 -9.066 572 HB3 LYS 76 2HB LYS 76 -9.387 3.142 -9.295 573 HG2 LYS 76 1HG LYS 76 -8.643 1.583 -11.312 574 HG3 LYS 76 2HG LYS 76 -10.302 0.974 -11.177 575 HD2 LYS 76 1HD LYS 76 -11.174 3.267 -11.424 576 HD3 LYS 76 2HD LYS 76 -9.527 3.902 -11.523 577 HE2 LYS 76 1HE LYS 76 -9.159 2.441 -13.576 578 HE3 LYS 76 2HE LYS 76 -10.889 2.034 -13.511 579 HZ1 LYS 76 3HZ LYS 76 -10.573 3.824 -15.024 580 HZ2 LYS 76 1HZ LYS 76 -11.331 4.423 -13.718 581 HZ3 LYS 76 2HZ LYS 76 -9.711 4.717 -13.954 582 H GLY 77 H GLY 77 -8.307 -0.295 -6.576 583 HA2 GLY 77 1HA GLY 77 -6.735 0.417 -4.807 584 HA3 GLY 77 2HA GLY 77 -7.587 1.966 -4.772 585 H ALA 78 H ALA 78 -7.280 0.254 -2.426 586 HA ALA 78 HA ALA 78 -10.117 0.081 -1.760 587 HB1 ALA 78 1HB ALA 78 -9.569 -2.143 -2.649 588 HB2 ALA 78 2HB ALA 78 -8.249 -2.318 -1.469 589 HB3 ALA 78 3HB ALA 78 -9.944 -2.215 -0.940 590 H LYS 79 H LYS 79 -10.295 -0.742 0.583 591 HA LYS 79 HA LYS 79 -8.203 0.083 2.425 592 HB2 LYS 79 1HB LYS 79 -9.839 1.541 3.642 593 HB3 LYS 79 2HB LYS 79 -9.317 2.226 2.107 594 HG2 LYS 79 1HG LYS 79 -11.423 1.859 1.073 595 HG3 LYS 79 2HG LYS 79 -11.833 0.570 2.144 596 HD2 LYS 79 1HD LYS 79 -11.837 2.442 4.001 597 HD3 LYS 79 2HD LYS 79 -12.033 3.526 2.621 598 HE2 LYS 79 1HE LYS 79 -14.246 3.032 2.661 599 HE3 LYS 79 2HE LYS 79 -13.842 1.397 2.126 600 HZ1 LYS 79 3HZ LYS 79 -13.717 0.741 4.476 601 HZ2 LYS 79 1HZ LYS 79 -14.113 2.277 4.946 602 HZ3 LYS 79 2HZ LYS 79 -15.172 1.387 4.071 603 H LEU 80 H LEU 80 -8.772 -0.635 4.546 604 HA LEU 80 HA LEU 80 -10.639 -2.918 4.714 605 HB2 LEU 80 1HB LEU 80 -7.944 -2.738 5.401 606 HB3 LEU 80 2HB LEU 80 -8.679 -2.418 6.942 607 HG LEU 80 HG LEU 80 -9.610 -4.784 5.259 608 HD11 LEU 80 1HD1 LEU 80 -7.824 -6.137 6.359 609 HD12 LEU 80 2HD1 LEU 80 -7.190 -4.937 5.234 610 HD13 LEU 80 3HD1 LEU 80 -7.094 -4.635 6.977 611 HD21 LEU 80 3HD2 LEU 80 -9.931 -5.898 7.390 612 HD22 LEU 80 1HD2 LEU 80 -9.196 -4.551 8.263 613 HD23 LEU 80 2HD2 LEU 80 -10.760 -4.365 7.424 614 H LEU 81 H LEU 81 -10.741 -2.559 7.611 615 HA LEU 81 HA LEU 81 -13.121 -1.653 8.020 616 HB2 LEU 81 1HB LEU 81 -11.264 -0.742 10.194 617 HB3 LEU 81 2HB LEU 81 -12.899 -1.333 10.219 618 HG LEU 81 HG LEU 81 -11.701 -3.547 9.261 619 HD11 LEU 81 1HD1 LEU 81 -9.465 -2.383 9.305 620 HD12 LEU 81 2HD1 LEU 81 -9.617 -2.238 11.052 621 HD13 LEU 81 3HD1 LEU 81 -9.522 -3.851 10.324 622 HD21 LEU 81 3HD2 LEU 81 -11.662 -4.357 11.588 623 HD22 LEU 81 1HD2 LEU 81 -11.924 -2.681 12.151 624 HD23 LEU 81 2HD2 LEU 81 -13.139 -3.491 11.134 625 H HIS 82 H HIS 82 -10.519 0.611 8.886 626 HA HIS 82 HA HIS 82 -11.808 2.661 7.273 627 HB2 HIS 82 1HB HIS 82 -11.651 4.370 9.078 628 HB3 HIS 82 2HB HIS 82 -12.838 3.110 9.348 629 HD1 HIS 82 1HD HIS 82 -9.406 4.262 10.690 630 HD2 HIS 82 2HD HIS 82 -12.519 1.501 11.456 631 HE1 HIS 82 1HE HIS 82 -9.030 3.388 13.047 632 H LYS 83 H LYS 83 -9.276 1.078 7.012 633 HA LYS 83 HA LYS 83 -7.322 3.313 6.901 634 HB2 LYS 83 1HB LYS 83 -6.911 0.532 8.110 635 HB3 LYS 83 2HB LYS 83 -5.598 1.597 7.613 636 HG2 LYS 83 1HG LYS 83 -6.688 3.384 9.126 637 HG3 LYS 83 2HG LYS 83 -7.644 2.088 9.810 638 HD2 LYS 83 1HD LYS 83 -4.752 1.457 9.599 639 HD3 LYS 83 2HD LYS 83 -5.026 2.895 10.558 640 HE2 LYS 83 1HE LYS 83 -6.829 0.545 11.088 641 HE3 LYS 83 2HE LYS 83 -5.138 0.402 11.556 642 HZ1 LYS 83 3HZ LYS 83 -6.649 1.284 13.289 643 HZ2 LYS 83 1HZ LYS 83 -5.310 2.166 13.014 644 HZ3 LYS 83 2HZ LYS 83 -6.781 2.682 12.456 645 HA PRO 84 HA PRO 84 -6.780 1.675 2.855 646 HB2 PRO 84 1HB PRO 84 -4.305 2.473 2.097 647 HB3 PRO 84 2HB PRO 84 -5.593 3.658 2.485 648 HG2 PRO 84 1HG PRO 84 -3.333 2.713 4.239 649 HG3 PRO 84 2HG PRO 84 -3.884 4.369 4.014 650 HD2 PRO 84 1HD PRO 84 -4.603 2.708 6.106 651 HD3 PRO 84 2HD PRO 84 -5.615 4.067 5.596 652 H ILE 85 H ILE 85 -5.615 -0.012 1.523 653 HA ILE 85 HA ILE 85 -3.905 -1.786 3.129 654 HB ILE 85 HB ILE 85 -5.023 -3.840 2.469 655 HG12 ILE 85 1HG1 ILE 85 -7.407 -3.057 1.198 656 HG13 ILE 85 2HG1 ILE 85 -6.300 -1.977 0.426 657 HG21 ILE 85 1HG2 ILE 85 -5.904 -2.742 4.372 658 HG22 ILE 85 2HG2 ILE 85 -7.048 -1.817 3.378 659 HG23 ILE 85 3HG2 ILE 85 -7.167 -3.583 3.442 660 HD11 ILE 85 3HD1 ILE 85 -4.911 -3.943 -0.281 661 HD12 ILE 85 1HD1 ILE 85 -6.090 -5.014 0.518 662 HD13 ILE 85 2HD1 ILE 85 -6.588 -4.014 -0.862 663 H VAL 86 H VAL 86 -2.544 -3.085 1.927 664 HA VAL 86 HA VAL 86 -2.217 -2.525 -0.970 665 HB VAL 86 HB VAL 86 0.203 -3.044 -0.700 666 HG11 VAL 86 1HG1 VAL 86 -0.691 -0.531 0.757 667 HG12 VAL 86 2HG1 VAL 86 0.868 -0.800 -0.058 668 HG13 VAL 86 3HG1 VAL 86 -0.614 -0.755 -1.010 669 HG21 VAL 86 3HG2 VAL 86 1.376 -2.703 1.377 670 HG22 VAL 86 1HG2 VAL 86 -0.136 -2.490 2.261 671 HG23 VAL 86 2HG2 VAL 86 0.261 -4.067 1.527 672 H TRP 87 H TRP 87 -1.167 -4.433 -2.047 673 HA TRP 87 HA TRP 87 -2.134 -6.956 -0.844 674 HB2 TRP 87 1HB TRP 87 -1.152 -6.516 -3.670 675 HB3 TRP 87 2HB TRP 87 -1.966 -7.927 -3.007 676 HD1 TRP 87 HD TRP 87 -2.625 -4.613 -4.571 677 HE1 TRP 87 1HE TRP 87 -5.161 -4.122 -4.747 678 HE3 TRP 87 3HE TRP 87 -4.331 -8.171 -1.345 679 HZ2 TRP 87 2HZ TRP 87 -7.576 -5.092 -3.528 680 HZ3 TRP 87 3HZ TRP 87 -6.720 -8.280 -0.784 681 HH2 TRP 87 HH TRP 87 -8.372 -6.791 -1.902 682 H HIS 88 H HIS 88 -0.494 -8.690 -0.537 683 HA HIS 88 HA HIS 88 2.301 -8.142 -1.371 684 HB2 HIS 88 1HB HIS 88 3.214 -8.863 0.750 685 HB3 HIS 88 2HB HIS 88 2.118 -7.520 1.039 686 HD1 HIS 88 1HD HIS 88 2.192 -11.397 1.681 687 HD2 HIS 88 2HD HIS 88 -0.061 -7.918 2.454 688 HE1 HIS 88 1HE HIS 88 0.687 -11.939 3.596 689 H ILE 89 H ILE 89 3.608 -10.203 -1.267 690 HA ILE 89 HA ILE 89 1.811 -12.572 -1.582 691 HB ILE 89 HB ILE 89 2.891 -11.254 -3.643 692 HG12 ILE 89 1HG1 ILE 89 3.168 -14.266 -3.808 693 HG13 ILE 89 2HG1 ILE 89 1.587 -13.543 -3.578 694 HG21 ILE 89 1HG2 ILE 89 5.070 -11.993 -4.347 695 HG22 ILE 89 2HG2 ILE 89 5.197 -11.332 -2.707 696 HG23 ILE 89 3HG2 ILE 89 5.217 -13.060 -2.938 697 HD11 ILE 89 3HD1 ILE 89 2.028 -14.025 -5.925 698 HD12 ILE 89 1HD1 ILE 89 1.762 -12.305 -5.642 699 HD13 ILE 89 2HD1 ILE 89 3.419 -12.910 -5.913 700 H ASN 90 H ASN 90 3.929 -11.811 0.443 701 HA ASN 90 HA ASN 90 4.692 -13.979 1.826 702 HB2 ASN 90 1HB ASN 90 6.841 -14.602 1.044 703 HB3 ASN 90 2HB ASN 90 5.642 -15.209 -0.011 704 HD21 ASN 90 1HD2 ASN 90 8.021 -12.537 0.418 705 HD22 ASN 90 2HD2 ASN 90 8.587 -12.521 -1.246 706 H GLN 91 H GLN 91 4.121 -11.418 2.427 707 HA GLN 91 HA GLN 91 4.757 -9.370 3.047 708 HB2 GLN 91 1HB GLN 91 7.302 -10.728 3.962 709 HB3 GLN 91 2HB GLN 91 6.686 -9.202 4.547 710 HG2 GLN 91 1HG GLN 91 4.692 -10.312 5.498 711 HG3 GLN 91 2HG GLN 91 5.275 -11.879 4.929 712 HE21 GLN 91 1HE2 GLN 91 8.204 -11.128 5.603 713 HE22 GLN 91 2HE2 GLN 91 8.243 -11.149 7.352 714 H ALA 92 H ALA 92 5.560 -10.095 0.119 715 HA ALA 92 HA ALA 92 7.518 -7.910 -0.142 716 HB1 ALA 92 1HB ALA 92 8.692 -10.136 -0.360 717 HB2 ALA 92 2HB ALA 92 7.616 -10.486 -1.737 718 HB3 ALA 92 3HB ALA 92 8.753 -9.129 -1.816 719 H THR 93 H THR 93 7.601 -7.321 -2.493 720 HA THR 93 HA THR 93 4.980 -7.461 -3.812 721 HB THR 93 HB THR 93 5.262 -5.278 -2.776 722 HG1 THR 93 1HG THR 93 4.951 -4.057 -4.593 723 HG21 THR 93 3HG2 THR 93 7.735 -5.056 -2.671 724 HG22 THR 93 1HG2 THR 93 7.756 -4.863 -4.440 725 HG23 THR 93 2HG2 THR 93 6.931 -3.661 -3.425 726 H THR 94 H THR 94 5.208 -7.273 -6.182 727 HA THR 94 HA THR 94 7.840 -7.827 -7.308 728 HB THR 94 HB THR 94 7.238 -9.863 -8.382 729 HG1 THR 94 1HG THR 94 4.714 -9.987 -7.148 730 HG21 THR 94 3HG2 THR 94 6.798 -11.506 -6.621 731 HG22 THR 94 1HG2 THR 94 7.955 -10.297 -6.040 732 HG23 THR 94 2HG2 THR 94 6.269 -10.246 -5.499 733 H LYS 95 H LYS 95 7.478 -7.860 -9.836 734 HA LYS 95 HA LYS 95 5.905 -5.684 -10.669 735 HB2 LYS 95 1HB LYS 95 7.143 -7.997 -12.153 736 HB3 LYS 95 2HB LYS 95 6.099 -6.838 -12.996 737 HG2 LYS 95 1HG LYS 95 7.427 -4.949 -12.205 738 HG3 LYS 95 2HG LYS 95 8.506 -6.008 -11.307 739 HD2 LYS 95 1HD LYS 95 8.075 -6.103 -14.318 740 HD3 LYS 95 2HD LYS 95 9.359 -5.188 -13.549 741 HE2 LYS 95 1HE LYS 95 9.020 -8.221 -13.440 742 HE3 LYS 95 2HE LYS 95 10.197 -7.325 -14.407 743 HZ1 LYS 95 3HZ LYS 95 11.124 -6.472 -12.313 744 HZ2 LYS 95 1HZ LYS 95 10.113 -7.425 -11.446 745 HZ3 LYS 95 2HZ LYS 95 11.256 -8.102 -12.411 746 H THR 96 H THR 96 4.644 -8.844 -9.805 747 HA THR 96 HA THR 96 2.149 -8.525 -11.206 748 HB THR 96 HB THR 96 2.725 -9.980 -8.595 749 HG1 THR 96 1HG THR 96 2.996 -10.723 -11.308 750 HG21 THR 96 3HG2 THR 96 0.562 -10.432 -10.700 751 HG22 THR 96 1HG2 THR 96 0.850 -11.430 -9.262 752 HG23 THR 96 2HG2 THR 96 0.313 -9.757 -9.076 753 H THR 97 H THR 97 3.045 -7.846 -7.709 754 HA THR 97 HA THR 97 0.452 -6.544 -7.439 755 HB THR 97 HB THR 97 1.214 -6.354 -5.037 756 HG1 THR 97 1HG THR 97 3.092 -6.947 -4.561 757 HG21 THR 97 3HG2 THR 97 0.727 -8.627 -4.542 758 HG22 THR 97 1HG2 THR 97 -0.306 -8.101 -5.875 759 HG23 THR 97 2HG2 THR 97 1.082 -9.155 -6.210 760 H PHE 98 H PHE 98 3.310 -5.471 -8.553 761 HA PHE 98 HA PHE 98 3.727 -2.940 -7.312 762 HB2 PHE 98 1HB PHE 98 5.500 -3.208 -8.668 763 HB3 PHE 98 2HB PHE 98 4.665 -4.395 -9.643 764 HD1 PHE 98 1HD PHE 98 5.134 -0.719 -9.260 765 HD2 PHE 98 2HD PHE 98 3.890 -3.941 -11.828 766 HE1 PHE 98 1HE PHE 98 4.816 0.885 -11.134 767 HE2 PHE 98 2HE PHE 98 3.607 -2.326 -13.707 768 HZ PHE 98 HZ PHE 98 4.070 0.087 -13.354 769 H LYS 99 H LYS 99 1.965 -3.826 -10.304 770 HA LYS 99 HA LYS 99 0.841 -1.361 -10.909 771 HB2 LYS 99 1HB LYS 99 -0.067 -4.206 -11.426 772 HB3 LYS 99 2HB LYS 99 -1.104 -2.841 -11.860 773 HG2 LYS 99 1HG LYS 99 0.945 -1.865 -13.100 774 HG3 LYS 99 2HG LYS 99 1.636 -3.499 -12.933 775 HD2 LYS 99 1HD LYS 99 -0.380 -4.432 -14.074 776 HD3 LYS 99 2HD LYS 99 -1.016 -2.775 -14.239 777 HE2 LYS 99 1HE LYS 99 1.117 -2.176 -15.474 778 HE3 LYS 99 2HE LYS 99 1.535 -3.898 -15.451 779 HZ1 LYS 99 3HZ LYS 99 -0.570 -4.302 -16.619 780 HZ2 LYS 99 1HZ LYS 99 -0.809 -2.669 -16.746 781 HZ3 LYS 99 2HZ LYS 99 0.488 -3.393 -17.482 782 HA PRO 100 HA PRO 100 -3.000 -1.993 -8.308 783 HB2 PRO 100 1HB PRO 100 -3.288 -3.953 -6.458 784 HB3 PRO 100 2HB PRO 100 -3.619 -4.249 -8.176 785 HG2 PRO 100 1HG PRO 100 -1.091 -4.919 -6.700 786 HG3 PRO 100 2HG PRO 100 -2.056 -5.955 -7.808 787 HD2 PRO 100 1HD PRO 100 0.105 -4.644 -8.764 788 HD3 PRO 100 2HD PRO 100 -1.401 -4.787 -9.707 789 H ASN 101 H ASN 101 0.234 -2.463 -6.742 790 HA ASN 101 HA ASN 101 -0.588 -1.162 -4.317 791 HB2 ASN 101 1HB ASN 101 1.988 -2.088 -5.575 792 HB3 ASN 101 2HB ASN 101 2.059 -0.736 -4.504 793 HD21 ASN 101 1HD2 ASN 101 1.068 -4.125 -4.657 794 HD22 ASN 101 2HD2 ASN 101 1.116 -4.384 -2.917 795 H THR 102 H THR 102 0.537 0.038 -7.526 796 HA THR 102 HA THR 102 1.360 2.563 -6.644 797 HB THR 102 HB THR 102 1.151 3.376 -8.784 798 HG1 THR 102 1HG THR 102 -0.954 2.901 -9.417 799 HG21 THR 102 3HG2 THR 102 2.818 1.752 -8.875 800 HG22 THR 102 1HG2 THR 102 1.603 0.475 -9.260 801 HG23 THR 102 2HG2 THR 102 1.950 1.787 -10.391 802 H TRP 103 H TRP 103 -1.862 1.387 -7.216 803 HA TRP 103 HA TRP 103 -3.376 3.776 -6.903 804 HB2 TRP 103 1HB TRP 103 -4.043 0.853 -6.390 805 HB3 TRP 103 2HB TRP 103 -5.225 2.119 -6.322 806 HD1 TRP 103 HD TRP 103 -3.255 0.092 -8.808 807 HE1 TRP 103 1HE TRP 103 -4.090 0.564 -11.189 808 HE3 TRP 103 3HE TRP 103 -6.203 4.131 -7.801 809 HZ2 TRP 103 2HZ TRP 103 -5.842 2.502 -12.493 810 HZ3 TRP 103 3HZ TRP 103 -7.401 5.309 -9.618 811 HH2 TRP 103 HH TRP 103 -7.256 4.481 -11.942 812 H CYS 104 H CYS 104 -1.996 1.584 -4.407 813 HA CYS 104 HA CYS 104 -3.430 2.953 -2.262 814 HB2 CYS 104 1HB CYS 104 -2.611 0.577 -2.079 815 HB3 CYS 104 2HB CYS 104 -0.946 1.220 -2.051 816 HG CYS 104 HG CYS 104 -0.972 2.380 0.086 817 H LEU 105 H LEU 105 -0.224 3.251 -3.916 818 HA LEU 105 HA LEU 105 0.817 5.159 -1.982 819 HB2 LEU 105 1HB LEU 105 1.502 4.737 -4.933 820 HB3 LEU 105 2HB LEU 105 2.429 5.721 -3.808 821 HG LEU 105 HG LEU 105 1.944 2.745 -3.347 822 HD11 LEU 105 1HD1 LEU 105 4.302 4.030 -4.771 823 HD12 LEU 105 2HD1 LEU 105 4.172 2.339 -4.283 824 HD13 LEU 105 3HD1 LEU 105 3.067 3.014 -5.493 825 HD21 LEU 105 3HD2 LEU 105 4.044 4.667 -2.241 826 HD22 LEU 105 1HD2 LEU 105 2.646 4.015 -1.360 827 HD23 LEU 105 2HD2 LEU 105 3.922 2.931 -1.901 828 H ARG 106 H ARG 106 -1.070 5.443 -5.008 829 HA ARG 106 HA ARG 106 -1.249 8.321 -5.005 830 HB2 ARG 106 1HB ARG 106 -3.174 6.188 -6.028 831 HB3 ARG 106 2HB ARG 106 -3.355 7.929 -6.288 832 HG2 ARG 106 1HG ARG 106 -1.106 7.998 -7.323 833 HG3 ARG 106 2HG ARG 106 -0.993 6.249 -7.176 834 HD2 ARG 106 1HD ARG 106 -2.247 5.924 -9.023 835 HD3 ARG 106 2HD ARG 106 -3.498 7.018 -8.435 836 HE ARG 106 HE ARG 106 -2.717 8.767 -9.571 837 HH11 ARG 106 2HH2 ARG 106 -0.175 6.309 -9.857 838 HH12 ARG 106 1HH2 ARG 106 0.255 6.740 -11.477 839 HH21 ARG 106 2HH1 ARG 106 -2.028 9.442 -11.600 840 HH22 ARG 106 1HH1 ARG 106 -0.559 8.842 -12.334 841 H CYS 107 H CYS 107 -2.742 5.963 -2.865 842 HA CYS 107 HA CYS 107 -4.892 7.728 -1.958 843 HB2 CYS 107 1HB CYS 107 -4.843 5.121 -2.103 844 HB3 CYS 107 2HB CYS 107 -3.911 5.203 -0.597 845 HG CYS 107 HG CYS 107 -6.651 6.975 -0.899 846 H LEU 108 H LEU 108 -1.503 7.307 -1.361 847 HA LEU 108 HA LEU 108 -1.593 8.608 1.312 848 HB2 LEU 108 1HB LEU 108 0.659 7.283 -0.246 849 HB3 LEU 108 2HB LEU 108 0.817 7.935 1.351 850 HG LEU 108 HG LEU 108 -1.017 5.619 0.615 851 HD11 LEU 108 1HD1 LEU 108 1.402 5.126 0.319 852 HD12 LEU 108 2HD1 LEU 108 1.676 5.550 2.020 853 HD13 LEU 108 3HD1 LEU 108 0.638 4.166 1.577 854 HD21 LEU 108 3HD2 LEU 108 -1.765 6.889 2.625 855 HD22 LEU 108 1HD2 LEU 108 -1.251 5.251 2.987 856 HD23 LEU 108 2HD2 LEU 108 -0.176 6.626 3.359 857 H TRP 109 H TRP 109 -1.088 9.312 -2.056 858 HA TRP 109 HA TRP 109 0.673 11.534 -1.884 859 HB2 TRP 109 1HB TRP 109 -1.581 10.799 -3.777 860 HB3 TRP 109 2HB TRP 109 -0.598 12.185 -3.977 861 HD1 TRP 109 HD TRP 109 1.647 9.476 -2.870 862 HE1 TRP 109 1HE TRP 109 2.871 8.427 -4.838 863 HE3 TRP 109 3HE TRP 109 -1.284 11.267 -6.595 864 HZ2 TRP 109 2HZ TRP 109 2.471 8.217 -7.713 865 HZ3 TRP 109 3HZ TRP 109 -0.891 10.622 -8.952 866 HH2 TRP 109 HH TRP 109 0.912 9.022 -9.514 867 H SER 110 H SER 110 0.252 13.657 -1.700 868 HA SER 110 HA SER 110 -1.810 14.415 0.247 869 HB2 SER 110 1HB SER 110 0.662 14.954 0.502 870 HB3 SER 110 2HB SER 110 0.573 15.913 -0.974 871 HG SER 110 HG SER 110 -1.216 16.510 1.133 872 H THR 111 H THR 111 -2.773 16.739 -0.417 873 HA THR 111 HA THR 111 -3.313 16.838 -3.342 874 HB THR 111 HB THR 111 -5.575 17.835 -2.444 875 HG1 THR 111 1HG THR 111 -5.231 17.778 -0.217 876 HG21 THR 111 3HG2 THR 111 -6.521 15.514 -2.304 877 HG22 THR 111 1HG2 THR 111 -5.475 15.758 -3.713 878 HG23 THR 111 2HG2 THR 111 -4.877 14.860 -2.298 879 H LYS 112 H LYS 112 -2.520 18.736 -4.225 880 HA LYS 112 HA LYS 112 -1.527 20.693 -2.225 881 HB2 LYS 112 1HB LYS 112 -0.048 19.045 -4.067 882 HB3 LYS 112 2HB LYS 112 0.166 20.768 -4.401 883 HG2 LYS 112 1HG LYS 112 0.513 19.675 -1.601 884 HG3 LYS 112 2HG LYS 112 1.812 19.729 -2.799 885 HD2 LYS 112 1HD LYS 112 1.338 22.198 -3.115 886 HD3 LYS 112 2HD LYS 112 0.264 22.133 -1.716 887 HE2 LYS 112 1HE LYS 112 2.014 21.843 -0.207 888 HE3 LYS 112 2HE LYS 112 3.038 21.019 -1.396 889 HZ1 LYS 112 3HZ LYS 112 3.824 23.283 -0.882 890 HZ2 LYS 112 1HZ LYS 112 3.476 23.032 -2.479 891 HZ3 LYS 112 2HZ LYS 112 2.452 23.907 -1.590 892 HA PRO 113 HA PRO 113 -4.008 23.241 -5.083 893 HB2 PRO 113 1HB PRO 113 -4.482 25.229 -3.180 894 HB3 PRO 113 2HB PRO 113 -5.528 23.837 -3.541 895 HG2 PRO 113 1HG PRO 113 -3.656 24.214 -1.254 896 HG3 PRO 113 2HG PRO 113 -5.163 23.250 -1.330 897 HD2 PRO 113 1HD PRO 113 -2.499 22.280 -1.515 898 HD3 PRO 113 2HD PRO 113 -4.007 21.392 -1.940 899 H VAL 114 H VAL 114 -3.601 25.494 -5.795 900 HA VAL 114 HA VAL 114 -2.318 26.617 -7.017 901 HB VAL 114 HB VAL 114 -1.424 28.413 -5.924 902 HG11 VAL 114 1HG1 VAL 114 -3.721 27.496 -4.178 903 HG12 VAL 114 2HG1 VAL 114 -3.240 29.159 -4.561 904 HG13 VAL 114 3HG1 VAL 114 -3.877 28.115 -5.837 905 HG21 VAL 114 3HG2 VAL 114 0.004 27.253 -4.189 906 HG22 VAL 114 1HG2 VAL 114 -0.911 28.613 -3.556 907 HG23 VAL 114 2HG2 VAL 114 -1.474 26.971 -3.238 908 H ASP 115 H ASP 115 -1.068 23.967 -6.437 909 HA ASP 115 HA ASP 115 1.765 24.477 -6.898 910 HB2 ASP 115 1HB ASP 115 1.001 22.438 -5.770 911 HB3 ASP 115 2HB ASP 115 0.137 21.930 -7.233 912 H THR 116 H THR 116 -1.140 23.824 -8.848 913 HA THR 116 HA THR 116 0.143 25.139 -11.095 914 HB THR 116 HB THR 116 -1.581 22.630 -11.363 915 HG1 THR 116 1HG THR 116 1.012 23.108 -12.384 916 HG21 THR 116 3HG2 THR 116 -0.443 24.465 -13.527 917 HG22 THR 116 1HG2 THR 116 -1.285 22.926 -13.814 918 HG23 THR 116 2HG2 THR 116 -2.159 24.289 -13.108 Start of MODEL 4 1 H1 MET 1 H MET 1 -12.214 -23.527 -0.800 2 HA MET 1 HA MET 1 -10.443 -23.140 0.810 3 HB2 MET 1 1HB MET 1 -10.050 -20.549 -0.748 4 HB3 MET 1 2HB MET 1 -9.331 -20.911 0.829 5 HG2 MET 1 1HG MET 1 -8.231 -22.919 -0.167 6 HG3 MET 1 2HG MET 1 -8.877 -22.459 -1.746 7 HE1 MET 1 3HE MET 1 -5.866 -23.104 -1.255 8 HE2 MET 1 1HE MET 1 -6.512 -22.588 -2.832 9 HE3 MET 1 2HE MET 1 -5.079 -21.786 -2.153 10 H TYR 2 H TYR 2 -12.066 -20.011 -0.136 11 HA TYR 2 HA TYR 2 -14.159 -20.465 1.812 12 HB2 TYR 2 1HB TYR 2 -11.823 -18.731 2.404 13 HB3 TYR 2 2HB TYR 2 -13.325 -17.841 2.387 14 HD1 TYR 2 1HD TYR 2 -15.391 -19.073 3.603 15 HD2 TYR 2 2HD TYR 2 -11.205 -19.467 4.573 16 HE1 TYR 2 1HE TYR 2 -16.005 -19.524 5.898 17 HE2 TYR 2 2HE TYR 2 -11.825 -20.224 6.854 18 HH TYR 2 HH TYR 2 -15.163 -20.168 8.083 19 H THR 3 H THR 3 -15.905 -19.104 1.433 20 HA THR 3 HA THR 3 -15.750 -17.058 -0.684 21 HB THR 3 HB THR 3 -18.080 -18.914 -0.280 22 HG1 THR 3 1HG THR 3 -17.299 -20.015 -2.177 23 HG21 THR 3 3HG2 THR 3 -17.199 -17.274 -2.712 24 HG22 THR 3 1HG2 THR 3 -18.670 -18.259 -2.612 25 HG23 THR 3 2HG2 THR 3 -18.512 -16.827 -1.600 26 H GLU 4 H GLU 4 -15.435 -16.933 2.137 27 HA GLU 4 HA GLU 4 -17.811 -16.030 3.549 28 HB2 GLU 4 1HB GLU 4 -15.866 -17.122 4.527 29 HB3 GLU 4 2HB GLU 4 -14.861 -15.728 4.233 30 HG2 GLU 4 1HG GLU 4 -17.459 -15.568 5.802 31 HG3 GLU 4 2HG GLU 4 -16.035 -16.269 6.541 32 H GLN 5 H GLN 5 -17.497 -13.482 4.458 33 HA GLN 5 HA GLN 5 -17.586 -11.730 2.161 34 HB2 GLN 5 1HB GLN 5 -17.420 -11.278 5.178 35 HB3 GLN 5 2HB GLN 5 -17.364 -9.957 4.028 36 HG2 GLN 5 1HG GLN 5 -19.516 -10.643 3.065 37 HG3 GLN 5 2HG GLN 5 -19.648 -11.951 4.248 38 HE21 GLN 5 1HE2 GLN 5 -20.785 -11.405 6.106 39 HE22 GLN 5 2HE2 GLN 5 -20.970 -9.769 6.711 40 HA PRO 6 HA PRO 6 -13.195 -10.781 2.291 41 HB2 PRO 6 1HB PRO 6 -13.002 -8.289 1.288 42 HB3 PRO 6 2HB PRO 6 -13.504 -9.641 0.229 43 HG2 PRO 6 1HG PRO 6 -15.279 -7.619 1.643 44 HG3 PRO 6 2HG PRO 6 -15.340 -8.164 -0.064 45 HD2 PRO 6 1HD PRO 6 -16.926 -9.214 1.954 46 HD3 PRO 6 2HD PRO 6 -16.431 -10.140 0.512 47 H ILE 7 H ILE 7 -11.786 -9.627 3.561 48 HA ILE 7 HA ILE 7 -12.778 -9.129 6.146 49 HB ILE 7 HB ILE 7 -10.038 -8.687 4.894 50 HG12 ILE 7 1HG1 ILE 7 -11.000 -10.997 6.655 51 HG13 ILE 7 2HG1 ILE 7 -11.040 -11.078 4.915 52 HG21 ILE 7 1HG2 ILE 7 -9.086 -8.641 7.096 53 HG22 ILE 7 2HG2 ILE 7 -10.373 -7.443 7.094 54 HG23 ILE 7 3HG2 ILE 7 -10.660 -9.011 7.848 55 HD11 ILE 7 3HD1 ILE 7 -8.531 -10.789 6.597 56 HD12 ILE 7 1HD1 ILE 7 -9.061 -12.196 5.666 57 HD13 ILE 7 2HD1 ILE 7 -8.576 -10.716 4.819 58 H ASP 8 H ASP 8 -14.327 -7.548 5.788 59 HA ASP 8 HA ASP 8 -15.361 -5.681 5.497 60 HB2 ASP 8 1HB ASP 8 -13.974 -5.322 7.750 61 HB3 ASP 8 2HB ASP 8 -13.306 -3.992 6.840 62 H LEU 9 H LEU 9 -13.442 -6.351 3.385 63 HA LEU 9 HA LEU 9 -11.836 -4.044 2.889 64 HB2 LEU 9 1HB LEU 9 -11.338 -6.617 2.505 65 HB3 LEU 9 2HB LEU 9 -12.149 -6.335 0.956 66 HG LEU 9 HG LEU 9 -10.517 -4.396 0.573 67 HD11 LEU 9 1HD1 LEU 9 -9.154 -5.751 2.950 68 HD12 LEU 9 2HD1 LEU 9 -8.335 -4.681 1.800 69 HD13 LEU 9 3HD1 LEU 9 -9.633 -4.043 2.835 70 HD21 LEU 9 3HD2 LEU 9 -10.288 -6.676 -0.434 71 HD22 LEU 9 1HD2 LEU 9 -8.760 -5.822 -0.181 72 HD23 LEU 9 2HD2 LEU 9 -9.252 -7.142 0.922 73 H VAL 10 H VAL 10 -12.145 -2.423 1.426 74 HA VAL 10 HA VAL 10 -14.326 -2.687 -0.534 75 HB VAL 10 HB VAL 10 -14.777 -0.143 0.160 76 HG11 VAL 10 1HG1 VAL 10 -16.824 -1.031 1.254 77 HG12 VAL 10 2HG1 VAL 10 -16.437 -1.897 -0.240 78 HG13 VAL 10 3HG1 VAL 10 -16.075 -2.637 1.325 79 HG21 VAL 10 3HG2 VAL 10 -14.484 -1.562 2.820 80 HG22 VAL 10 1HG2 VAL 10 -13.277 -0.414 2.225 81 HG23 VAL 10 2HG2 VAL 10 -14.964 0.103 2.524 82 HA PRO 11 HA PRO 11 -11.215 -0.791 -2.980 83 HB2 PRO 11 1HB PRO 11 -13.114 0.281 -4.831 84 HB3 PRO 11 2HB PRO 11 -11.964 -1.017 -5.096 85 HG2 PRO 11 1HG PRO 11 -14.722 -1.427 -4.968 86 HG3 PRO 11 2HG PRO 11 -13.504 -2.663 -4.544 87 HD2 PRO 11 1HD PRO 11 -15.046 -0.871 -2.677 88 HD3 PRO 11 2HD PRO 11 -14.625 -2.601 -2.532 89 H THR 12 H THR 12 -10.667 1.468 -3.714 90 HA THR 12 HA THR 12 -12.382 3.651 -2.837 91 HB THR 12 HB THR 12 -11.302 3.682 -0.822 92 HG1 THR 12 1HG THR 12 -9.185 4.922 -2.164 93 HG21 THR 12 3HG2 THR 12 -8.781 2.636 -2.138 94 HG22 THR 12 1HG2 THR 12 -8.903 3.160 -0.434 95 HG23 THR 12 2HG2 THR 12 -9.892 1.822 -1.020 96 H GLN 13 H GLN 13 -10.943 5.668 -3.409 97 HA GLN 13 HA GLN 13 -9.813 5.332 -6.110 98 HB2 GLN 13 1HB GLN 13 -11.111 7.296 -6.910 99 HB3 GLN 13 2HB GLN 13 -12.043 5.854 -6.562 100 HG2 GLN 13 1HG GLN 13 -12.199 7.343 -4.153 101 HG3 GLN 13 2HG GLN 13 -12.241 8.566 -5.400 102 HE21 GLN 13 1HE2 GLN 13 -14.229 6.730 -3.512 103 HE22 GLN 13 2HE2 GLN 13 -15.660 6.751 -4.539 104 HA PRO 14 HA PRO 14 -6.943 8.255 -4.294 105 HB2 PRO 14 1HB PRO 14 -5.608 9.127 -6.507 106 HB3 PRO 14 2HB PRO 14 -5.389 7.481 -5.853 107 HG2 PRO 14 1HG PRO 14 -7.034 8.362 -8.217 108 HG3 PRO 14 2HG PRO 14 -6.049 6.888 -8.034 109 HD2 PRO 14 1HD PRO 14 -8.860 7.052 -7.653 110 HD3 PRO 14 2HD PRO 14 -7.819 5.759 -7.023 111 H LEU 15 H LEU 15 -6.958 10.421 -3.913 112 HA LEU 15 HA LEU 15 -9.314 11.909 -4.583 113 HB2 LEU 15 1HB LEU 15 -6.628 12.632 -3.381 114 HB3 LEU 15 2HB LEU 15 -7.826 13.840 -3.699 115 HG LEU 15 HG LEU 15 -7.504 12.401 -1.342 116 HD11 LEU 15 1HD1 LEU 15 -9.901 13.957 -2.329 117 HD12 LEU 15 2HD1 LEU 15 -9.511 13.612 -0.618 118 HD13 LEU 15 3HD1 LEU 15 -8.417 14.611 -1.587 119 HD21 LEU 15 3HD2 LEU 15 -8.583 10.400 -2.180 120 HD22 LEU 15 1HD2 LEU 15 -9.521 11.166 -0.896 121 HD23 LEU 15 2HD2 LEU 15 -10.051 11.333 -2.585 122 HA PRO 16 HA PRO 16 -8.199 13.774 -8.421 123 HB2 PRO 16 1HB PRO 16 -9.470 16.198 -8.242 124 HB3 PRO 16 2HB PRO 16 -10.332 14.648 -8.481 125 HG2 PRO 16 1HG PRO 16 -9.921 16.170 -5.895 126 HG3 PRO 16 2HG PRO 16 -11.425 15.403 -6.503 127 HD2 PRO 16 1HD PRO 16 -9.771 14.249 -4.687 128 HD3 PRO 16 2HD PRO 16 -10.698 13.282 -5.855 129 H ASN 17 H ASN 17 -6.574 15.137 -9.132 130 HA ASN 17 HA ASN 17 -4.841 16.555 -9.208 131 HB2 ASN 17 1HB ASN 17 -5.416 17.611 -6.413 132 HB3 ASN 17 2HB ASN 17 -4.416 18.326 -7.653 133 HD21 ASN 17 1HD2 ASN 17 -7.718 17.704 -6.634 134 HD22 ASN 17 2HD2 ASN 17 -8.498 18.814 -7.755 135 H ALA 18 H ALA 18 -5.259 14.476 -6.478 136 HA ALA 18 HA ALA 18 -3.262 14.680 -4.813 137 HB1 ALA 18 1HB ALA 18 -3.321 12.268 -4.399 138 HB2 ALA 18 2HB ALA 18 -4.941 12.885 -4.706 139 HB3 ALA 18 3HB ALA 18 -4.081 11.987 -5.976 140 H SER 19 H SER 19 -1.019 14.276 -4.537 141 HA SER 19 HA SER 19 0.580 13.302 -6.723 142 HB2 SER 19 1HB SER 19 1.700 15.424 -7.151 143 HB3 SER 19 2HB SER 19 -0.013 15.530 -7.550 144 HG SER 19 HG SER 19 1.499 16.845 -5.698 145 H PHE 20 H PHE 20 2.797 13.199 -6.047 146 HA PHE 20 HA PHE 20 2.858 12.277 -3.351 147 HB2 PHE 20 1HB PHE 20 3.878 11.123 -5.290 148 HB3 PHE 20 2HB PHE 20 4.968 12.451 -5.552 149 HD1 PHE 20 2HD PHE 20 3.955 10.200 -2.686 150 HD2 PHE 20 1HD PHE 20 7.172 12.047 -4.893 151 HE1 PHE 20 2HE PHE 20 5.614 9.078 -1.226 152 HE2 PHE 20 1HE PHE 20 8.802 10.984 -3.389 153 HZ PHE 20 HZ PHE 20 8.022 9.532 -1.516 154 H ASP 21 H ASP 21 4.273 12.972 -1.662 155 HA ASP 21 HA ASP 21 5.312 15.723 -1.752 156 HB2 ASP 21 1HB ASP 21 3.291 15.698 -0.413 157 HB3 ASP 21 2HB ASP 21 3.712 14.184 0.336 158 H ASN 22 H ASN 22 6.804 15.351 0.715 159 HA ASN 22 HA ASN 22 8.815 13.397 -0.251 160 HB2 ASN 22 1HB ASN 22 8.917 15.903 1.261 161 HB3 ASN 22 2HB ASN 22 9.898 14.634 1.992 162 HD21 ASN 22 1HD2 ASN 22 11.998 14.565 1.227 163 HD22 ASN 22 2HD2 ASN 22 12.350 14.653 -0.474 164 H PHE 23 H PHE 23 6.127 12.587 1.366 165 HA PHE 23 HA PHE 23 7.236 11.545 3.812 166 HB2 PHE 23 1HB PHE 23 5.309 10.263 4.158 167 HB3 PHE 23 2HB PHE 23 4.816 11.844 3.601 168 HD1 PHE 23 2HD PHE 23 5.369 8.290 2.444 169 HD2 PHE 23 1HD PHE 23 3.086 11.917 1.963 170 HE1 PHE 23 2HE PHE 23 4.007 7.196 0.717 171 HE2 PHE 23 1HE PHE 23 1.703 10.820 0.268 172 HZ PHE 23 HZ PHE 23 2.236 8.478 -0.433 173 H LYS 24 H LYS 24 8.052 9.608 4.331 174 HA LYS 24 HA LYS 24 8.778 7.718 2.149 175 HB2 LYS 24 1HB LYS 24 10.609 8.586 3.500 176 HB3 LYS 24 2HB LYS 24 9.808 8.126 4.994 177 HG2 LYS 24 1HG LYS 24 10.067 5.745 4.303 178 HG3 LYS 24 2HG LYS 24 10.914 6.276 2.827 179 HD2 LYS 24 1HD LYS 24 12.667 7.324 4.315 180 HD3 LYS 24 2HD LYS 24 11.697 6.848 5.694 181 HE2 LYS 24 1HE LYS 24 13.203 5.181 5.733 182 HE3 LYS 24 2HE LYS 24 11.871 4.420 4.851 183 HZ1 LYS 24 3HZ LYS 24 13.909 3.904 3.834 184 HZ2 LYS 24 1HZ LYS 24 13.163 4.873 2.790 185 HZ3 LYS 24 2HZ LYS 24 14.411 5.449 3.756 186 H LEU 25 H LEU 25 8.310 5.552 2.645 187 HA LEU 25 HA LEU 25 6.640 5.043 5.036 188 HB2 LEU 25 1HB LEU 25 5.557 3.090 3.822 189 HB3 LEU 25 2HB LEU 25 4.966 4.726 3.563 190 HG LEU 25 HG LEU 25 6.018 4.871 1.383 191 HD11 LEU 25 1HD1 LEU 25 6.969 2.966 0.258 192 HD12 LEU 25 2HD1 LEU 25 7.908 3.252 1.700 193 HD13 LEU 25 3HD1 LEU 25 6.737 1.920 1.689 194 HD21 LEU 25 3HD2 LEU 25 4.502 3.304 0.260 195 HD22 LEU 25 1HD2 LEU 25 4.259 2.409 1.776 196 HD23 LEU 25 2HD2 LEU 25 3.711 4.095 1.610 197 H THR 26 H THR 26 7.054 3.177 6.148 198 HA THR 26 HA THR 26 9.555 1.721 5.497 199 HB THR 26 HB THR 26 10.132 1.804 7.769 200 HG1 THR 26 1HG THR 26 8.885 2.088 9.324 201 HG21 THR 26 3HG2 THR 26 10.521 3.985 6.551 202 HG22 THR 26 1HG2 THR 26 9.035 4.607 7.293 203 HG23 THR 26 2HG2 THR 26 10.398 4.141 8.315 204 H CYS 27 H CYS 27 9.489 -0.464 6.939 205 HA CYS 27 HA CYS 27 7.025 -1.415 7.879 206 HB2 CYS 27 1HB CYS 27 6.643 -1.654 5.345 207 HB3 CYS 27 2HB CYS 27 7.965 -2.771 5.315 208 HG CYS 27 HG CYS 27 6.831 -4.551 6.977 209 H SER 28 H SER 28 7.415 -3.806 8.535 210 HA SER 28 HA SER 28 9.826 -4.321 9.845 211 HB2 SER 28 1HB SER 28 8.954 -6.738 9.674 212 HB3 SER 28 2HB SER 28 7.910 -5.528 10.447 213 HG SER 28 HG SER 28 6.691 -6.706 9.013 214 H ASN 29 H ASN 29 8.783 -5.513 6.652 215 HA ASN 29 HA ASN 29 11.485 -6.452 5.985 216 HB2 ASN 29 1HB ASN 29 8.884 -7.097 5.048 217 HB3 ASN 29 2HB ASN 29 9.586 -6.214 3.732 218 HD21 ASN 29 1HD2 ASN 29 9.316 -8.284 2.653 219 HD22 ASN 29 2HD2 ASN 29 10.453 -9.590 2.848 220 H THR 30 H THR 30 13.014 -4.883 5.502 221 HA THR 30 HA THR 30 12.355 -2.250 4.700 222 HB THR 30 HB THR 30 14.804 -2.285 3.900 223 HG1 THR 30 1HG THR 30 15.970 -3.989 4.316 224 HG21 THR 30 3HG2 THR 30 14.121 -1.400 6.052 225 HG22 THR 30 1HG2 THR 30 14.097 -3.019 6.776 226 HG23 THR 30 2HG2 THR 30 15.638 -2.304 6.240 227 H LYS 31 H LYS 31 13.238 -5.131 2.737 228 HA LYS 31 HA LYS 31 13.302 -4.068 0.208 229 HB2 LYS 31 1HB LYS 31 13.616 -6.450 0.596 230 HB3 LYS 31 2HB LYS 31 11.944 -6.632 1.128 231 HG2 LYS 31 1HG LYS 31 12.171 -7.555 -1.098 232 HG3 LYS 31 2HG LYS 31 11.095 -6.169 -1.154 233 HD2 LYS 31 1HD LYS 31 12.526 -6.127 -3.066 234 HD3 LYS 31 2HD LYS 31 12.980 -4.764 -2.040 235 HE2 LYS 31 1HE LYS 31 14.911 -6.063 -1.163 236 HE3 LYS 31 2HE LYS 31 14.422 -7.459 -2.127 237 HZ1 LYS 31 3HZ LYS 31 16.161 -6.232 -3.201 238 HZ2 LYS 31 1HZ LYS 31 14.772 -6.064 -4.122 239 HZ3 LYS 31 2HZ LYS 31 15.287 -4.840 -3.190 240 H PHE 32 H PHE 32 10.303 -4.868 2.010 241 HA PHE 32 HA PHE 32 8.496 -4.482 -0.146 242 HB2 PHE 32 1HB PHE 32 8.034 -5.493 2.161 243 HB3 PHE 32 2HB PHE 32 7.995 -3.861 2.804 244 HD1 PHE 32 2HD PHE 32 6.528 -6.086 0.242 245 HD2 PHE 32 1HD PHE 32 5.892 -2.585 2.635 246 HE1 PHE 32 2HE PHE 32 4.180 -5.987 -0.573 247 HE2 PHE 32 1HE PHE 32 3.561 -2.481 1.834 248 HZ PHE 32 HZ PHE 32 2.685 -4.218 0.235 249 H ALA 33 H ALA 33 9.393 -2.350 2.529 250 HA ALA 33 HA ALA 33 7.943 -0.095 1.615 251 HB1 ALA 33 1HB ALA 33 10.426 -0.170 3.394 252 HB2 ALA 33 2HB ALA 33 9.151 1.079 3.338 253 HB3 ALA 33 3HB ALA 33 8.780 -0.543 3.942 254 H ASP 34 H ASP 34 11.237 -1.176 0.927 255 HA ASP 34 HA ASP 34 11.998 1.372 -0.279 256 HB2 ASP 34 1HB ASP 34 13.440 -0.949 0.526 257 HB3 ASP 34 2HB ASP 34 13.720 -0.760 -1.200 258 H ASP 35 H ASP 35 10.937 -1.792 -1.541 259 HA ASP 35 HA ASP 35 11.114 -1.124 -4.328 260 HB2 ASP 35 1HB ASP 35 9.913 -3.317 -2.763 261 HB3 ASP 35 2HB ASP 35 8.946 -2.822 -4.129 262 H LEU 36 H LEU 36 8.586 -0.568 -1.893 263 HA LEU 36 HA LEU 36 6.683 0.611 -3.735 264 HB2 LEU 36 1HB LEU 36 7.093 0.936 -0.731 265 HB3 LEU 36 2HB LEU 36 5.778 1.690 -1.628 266 HG LEU 36 HG LEU 36 6.211 -1.276 -1.140 267 HD11 LEU 36 1HD1 LEU 36 5.264 -0.060 0.742 268 HD12 LEU 36 2HD1 LEU 36 4.051 0.705 -0.314 269 HD13 LEU 36 3HD1 LEU 36 3.996 -1.039 -0.019 270 HD21 LEU 36 3HD2 LEU 36 4.067 0.017 -2.846 271 HD22 LEU 36 1HD2 LEU 36 5.370 -1.071 -3.416 272 HD23 LEU 36 2HD2 LEU 36 4.155 -1.685 -2.305 273 H ASN 37 H ASN 37 9.130 2.041 -1.491 274 HA ASN 37 HA ASN 37 8.658 4.740 -2.134 275 HB2 ASN 37 1HB ASN 37 10.961 3.170 -1.018 276 HB3 ASN 37 2HB ASN 37 11.230 4.807 -1.484 277 HD21 ASN 37 1HD2 ASN 37 11.376 3.728 1.203 278 HD22 ASN 37 2HD2 ASN 37 10.009 4.295 2.168 279 H GLN 38 H GLN 38 10.483 2.253 -3.902 280 HA GLN 38 HA GLN 38 11.994 3.921 -5.634 281 HB2 GLN 38 1HB GLN 38 11.297 1.064 -5.198 282 HB3 GLN 38 2HB GLN 38 11.500 1.439 -6.871 283 HG2 GLN 38 1HG GLN 38 13.640 2.510 -5.144 284 HG3 GLN 38 2HG GLN 38 13.434 0.785 -4.949 285 HE21 GLN 38 1HE2 GLN 38 13.253 -0.541 -7.119 286 HE22 GLN 38 2HE2 GLN 38 14.417 -0.049 -8.330 287 H MET 39 H MET 39 8.574 2.572 -5.725 288 HA MET 39 HA MET 39 8.286 3.178 -8.471 289 HB2 MET 39 1HB MET 39 6.265 2.775 -6.227 290 HB3 MET 39 2HB MET 39 5.877 2.786 -7.945 291 HG2 MET 39 1HG MET 39 6.924 0.725 -8.337 292 HG3 MET 39 2HG MET 39 7.944 0.840 -6.924 293 HE1 MET 39 3HE MET 39 4.180 1.674 -7.002 294 HE2 MET 39 1HE MET 39 4.291 0.326 -8.156 295 HE3 MET 39 2HE MET 39 3.410 0.116 -6.639 296 H THR 40 H THR 40 7.428 4.817 -5.404 297 HA THR 40 HA THR 40 6.115 6.996 -6.832 298 HB THR 40 HB THR 40 5.268 5.977 -4.768 299 HG1 THR 40 1HG THR 40 5.791 8.732 -4.673 300 HG21 THR 40 3HG2 THR 40 6.184 6.563 -2.581 301 HG22 THR 40 1HG2 THR 40 7.338 5.646 -3.531 302 HG23 THR 40 2HG2 THR 40 7.553 7.398 -3.348 303 H GLY 41 H GLY 41 9.405 6.404 -6.089 304 HA2 GLY 41 1HA GLY 41 11.228 7.737 -6.469 305 HA3 GLY 41 2HA GLY 41 10.158 9.041 -6.995 306 H PHE 42 H PHE 42 10.245 7.325 -3.851 307 HA PHE 42 HA PHE 42 10.286 9.788 -2.278 308 HB2 PHE 42 1HB PHE 42 9.359 7.917 -1.115 309 HB3 PHE 42 2HB PHE 42 10.602 6.853 -1.724 310 HD1 PHE 42 1HD PHE 42 10.392 10.003 0.438 311 HD2 PHE 42 2HD PHE 42 12.382 6.225 -0.337 312 HE1 PHE 42 1HE PHE 42 12.035 10.490 2.135 313 HE2 PHE 42 2HE PHE 42 13.887 6.645 1.549 314 HZ PHE 42 HZ PHE 42 13.744 8.765 2.795 315 H THR 43 H THR 43 12.039 10.978 -1.614 316 HA THR 43 HA THR 43 14.684 9.754 -1.486 317 HB THR 43 HB THR 43 13.775 12.035 -3.273 318 HG1 THR 43 1HG THR 43 14.350 10.704 -4.706 319 HG21 THR 43 3HG2 THR 43 15.574 13.066 -2.008 320 HG22 THR 43 1HG2 THR 43 16.631 11.666 -2.324 321 HG23 THR 43 2HG2 THR 43 16.059 12.699 -3.665 322 H LYS 44 H LYS 44 15.988 10.804 0.058 323 HA LYS 44 HA LYS 44 14.444 12.097 2.158 324 HB2 LYS 44 1HB LYS 44 17.072 10.738 1.851 325 HB3 LYS 44 2HB LYS 44 17.067 12.000 3.055 326 HG2 LYS 44 1HG LYS 44 14.707 10.503 3.538 327 HG3 LYS 44 2HG LYS 44 15.949 9.303 3.136 328 HD2 LYS 44 1HD LYS 44 17.384 10.329 4.949 329 HD3 LYS 44 2HD LYS 44 16.021 11.406 5.334 330 HE2 LYS 44 1HE LYS 44 14.567 9.363 5.647 331 HE3 LYS 44 2HE LYS 44 16.013 8.365 5.450 332 HZ1 LYS 44 3HZ LYS 44 15.441 8.782 7.773 333 HZ2 LYS 44 1HZ LYS 44 16.923 9.387 7.436 334 HZ3 LYS 44 2HZ LYS 44 15.624 10.376 7.592 335 HA PRO 45 HA PRO 45 15.586 13.164 4.054 336 HB2 PRO 45 1HB PRO 45 14.559 15.323 5.306 337 HB3 PRO 45 2HB PRO 45 16.330 15.150 5.038 338 HG2 PRO 45 1HG PRO 45 14.334 16.728 3.375 339 HG3 PRO 45 2HG PRO 45 15.942 17.257 3.951 340 HD2 PRO 45 1HD PRO 45 15.576 16.272 1.430 341 HD3 PRO 45 2HD PRO 45 17.062 15.904 2.361 342 H ALA 46 H ALA 46 13.667 12.108 4.795 343 HA ALA 46 HA ALA 46 11.374 12.486 3.138 344 HB1 ALA 46 1HB ALA 46 11.354 11.038 5.811 345 HB2 ALA 46 2HB ALA 46 10.364 10.760 4.355 346 HB3 ALA 46 3HB ALA 46 12.074 10.322 4.348 347 H SER 47 H SER 47 9.376 13.329 3.694 348 HA SER 47 HA SER 47 9.205 15.585 5.475 349 HB2 SER 47 1HB SER 47 7.869 15.143 3.336 350 HB3 SER 47 2HB SER 47 6.904 13.984 4.260 351 HG SER 47 HG SER 47 6.818 16.666 4.134 352 H ARG 48 H ARG 48 8.116 12.173 5.660 353 HA ARG 48 HA ARG 48 8.003 12.157 8.532 354 HB2 ARG 48 1HB ARG 48 5.710 11.472 8.750 355 HB3 ARG 48 2HB ARG 48 5.775 13.113 8.100 356 HG2 ARG 48 1HG ARG 48 5.135 12.412 5.919 357 HG3 ARG 48 2HG ARG 48 5.643 10.753 6.216 358 HD2 ARG 48 1HD ARG 48 3.467 10.527 6.217 359 HD3 ARG 48 2HD ARG 48 3.811 10.536 7.932 360 HE ARG 48 HE ARG 48 2.932 12.771 8.121 361 HH11 ARG 48 2HH2 ARG 48 2.175 11.353 4.942 362 HH12 ARG 48 1HH2 ARG 48 0.480 11.647 5.129 363 HH21 ARG 48 2HH1 ARG 48 0.959 13.688 7.999 364 HH22 ARG 48 1HH1 ARG 48 -0.155 13.342 6.681 365 H GLU 49 H GLU 49 7.269 9.794 9.171 366 HA GLU 49 HA GLU 49 7.957 7.894 7.008 367 HB2 GLU 49 1HB GLU 49 8.989 7.991 9.853 368 HB3 GLU 49 2HB GLU 49 8.971 6.497 8.889 369 HG2 GLU 49 1HG GLU 49 10.276 7.549 7.133 370 HG3 GLU 49 2HG GLU 49 10.265 9.100 7.964 371 H LEU 50 H LEU 50 6.065 7.193 6.489 372 HA LEU 50 HA LEU 50 3.983 6.285 8.401 373 HB2 LEU 50 1HB LEU 50 4.392 5.603 5.465 374 HB3 LEU 50 2HB LEU 50 2.923 5.335 6.385 375 HG LEU 50 HG LEU 50 4.050 8.062 5.625 376 HD11 LEU 50 1HD1 LEU 50 2.223 8.117 3.966 377 HD12 LEU 50 2HD1 LEU 50 3.300 6.752 3.660 378 HD13 LEU 50 3HD1 LEU 50 1.724 6.490 4.434 379 HD21 LEU 50 3HD2 LEU 50 2.631 8.169 7.663 380 HD22 LEU 50 1HD2 LEU 50 1.820 8.923 6.283 381 HD23 LEU 50 2HD2 LEU 50 1.344 7.308 6.787 382 H SER 51 H SER 51 3.459 3.911 8.346 383 HA SER 51 HA SER 51 5.739 2.090 7.783 384 HB2 SER 51 1HB SER 51 4.312 2.428 10.451 385 HB3 SER 51 2HB SER 51 5.428 1.092 10.056 386 HG SER 51 HG SER 51 6.893 3.035 9.499 387 H VAL 52 H VAL 52 5.037 0.180 6.862 388 HA VAL 52 HA VAL 52 2.123 -0.270 6.763 389 HB VAL 52 HB VAL 52 4.506 -1.431 5.312 390 HG11 VAL 52 1HG1 VAL 52 2.796 -2.618 3.858 391 HG12 VAL 52 2HG1 VAL 52 2.900 -3.275 5.473 392 HG13 VAL 52 3HG1 VAL 52 1.548 -2.194 5.036 393 HG21 VAL 52 3HG2 VAL 52 3.745 0.841 4.574 394 HG22 VAL 52 1HG2 VAL 52 3.542 -0.399 3.326 395 HG23 VAL 52 2HG2 VAL 52 2.149 0.154 4.242 396 H THR 53 H THR 53 1.433 -2.540 7.219 397 HA THR 53 HA THR 53 3.048 -4.150 9.019 398 HB THR 53 HB THR 53 0.827 -4.386 10.419 399 HG1 THR 53 1HG THR 53 0.589 -1.955 9.057 400 HG21 THR 53 3HG2 THR 53 1.537 -2.667 12.039 401 HG22 THR 53 1HG2 THR 53 2.960 -3.470 11.374 402 HG23 THR 53 2HG2 THR 53 2.520 -1.853 10.796 403 H PHE 54 H PHE 54 2.015 -6.387 9.082 404 HA PHE 54 HA PHE 54 0.603 -6.914 6.503 405 HB2 PHE 54 1HB PHE 54 2.707 -8.533 7.990 406 HB3 PHE 54 2HB PHE 54 1.868 -9.054 6.547 407 HD1 PHE 54 1HD PHE 54 1.940 -6.983 4.653 408 HD2 PHE 54 2HD PHE 54 4.940 -7.940 7.570 409 HE1 PHE 54 1HE PHE 54 3.697 -6.024 3.161 410 HE2 PHE 54 2HE PHE 54 6.683 -7.011 6.078 411 HZ PHE 54 HZ PHE 54 6.038 -6.018 3.865 412 H PHE 55 H PHE 55 -1.508 -7.630 6.899 413 HA PHE 55 HA PHE 55 -2.477 -8.011 9.361 414 HB2 PHE 55 1HB PHE 55 -3.414 -8.261 6.688 415 HB3 PHE 55 2HB PHE 55 -3.873 -9.743 7.470 416 HD1 PHE 55 2HD PHE 55 -3.933 -6.036 8.243 417 HD2 PHE 55 1HD PHE 55 -6.023 -9.812 8.367 418 HE1 PHE 55 2HE PHE 55 -5.981 -4.888 8.984 419 HE2 PHE 55 1HE PHE 55 -8.052 -8.636 9.165 420 HZ PHE 55 HZ PHE 55 -8.055 -6.169 9.388 421 HA PRO 56 HA PRO 56 -3.775 -9.039 10.738 422 HB2 PRO 56 1HB PRO 56 -3.865 -10.386 13.116 423 HB3 PRO 56 2HB PRO 56 -4.834 -10.886 11.700 424 HG2 PRO 56 1HG PRO 56 -2.151 -12.001 12.591 425 HG3 PRO 56 2HG PRO 56 -3.635 -12.907 12.151 426 HD2 PRO 56 1HD PRO 56 -1.585 -12.457 10.378 427 HD3 PRO 56 2HD PRO 56 -3.307 -12.510 9.885 428 H ASP 57 H ASP 57 -2.541 -7.281 11.002 429 HA ASP 57 HA ASP 57 -1.217 -6.609 13.342 430 HB2 ASP 57 1HB ASP 57 0.719 -7.845 12.245 431 HB3 ASP 57 2HB ASP 57 0.519 -6.781 10.849 432 H LEU 58 H LEU 58 -2.014 -4.488 13.373 433 HA LEU 58 HA LEU 58 -2.021 -2.901 10.934 434 HB2 LEU 58 1HB LEU 58 -4.371 -2.263 11.235 435 HB3 LEU 58 2HB LEU 58 -4.168 -3.900 10.662 436 HG LEU 58 HG LEU 58 -4.403 -3.748 13.614 437 HD11 LEU 58 1HD1 LEU 58 -5.854 -1.913 13.111 438 HD12 LEU 58 2HD1 LEU 58 -6.724 -2.872 11.886 439 HD13 LEU 58 3HD1 LEU 58 -6.817 -3.309 13.609 440 HD21 LEU 58 3HD2 LEU 58 -6.002 -5.281 11.519 441 HD22 LEU 58 1HD2 LEU 58 -4.507 -5.866 12.279 442 HD23 LEU 58 2HD2 LEU 58 -5.958 -5.587 13.265 443 H ASN 59 H ASN 59 -0.178 -2.546 12.868 444 HA ASN 59 HA ASN 59 -1.210 -0.718 14.858 445 HB2 ASN 59 1HB ASN 59 -0.076 -2.427 15.901 446 HB3 ASN 59 2HB ASN 59 0.820 -2.879 14.504 447 HD21 ASN 59 1HD2 ASN 59 2.614 -1.774 13.784 448 HD22 ASN 59 2HD2 ASN 59 3.416 -0.612 14.761 449 H GLY 60 H GLY 60 0.344 -0.701 11.855 450 HA2 GLY 60 1HA GLY 60 2.287 1.430 12.118 451 HA3 GLY 60 2HA GLY 60 1.747 0.594 10.668 452 H ASP 61 H ASP 61 1.803 2.651 9.730 453 HA ASP 61 HA ASP 61 -0.480 4.516 10.278 454 HB2 ASP 61 1HB ASP 61 2.223 4.988 9.606 455 HB3 ASP 61 2HB ASP 61 1.441 5.048 8.054 456 H VAL 62 H VAL 62 0.657 1.930 8.318 457 HA VAL 62 HA VAL 62 -1.676 2.086 6.482 458 HB VAL 62 HB VAL 62 1.236 1.763 5.618 459 HG11 VAL 62 1HG1 VAL 62 -0.104 0.286 4.202 460 HG12 VAL 62 2HG1 VAL 62 -1.280 1.549 3.893 461 HG13 VAL 62 3HG1 VAL 62 0.365 1.701 3.267 462 HG21 VAL 62 3HG2 VAL 62 0.862 3.784 4.215 463 HG22 VAL 62 1HG2 VAL 62 -0.737 3.986 4.968 464 HG23 VAL 62 2HG2 VAL 62 0.741 4.124 5.940 465 H VAL 63 H VAL 63 -2.103 -0.074 5.528 466 HA VAL 63 HA VAL 63 -1.020 -2.277 7.198 467 HB VAL 63 HB VAL 63 -3.915 -2.071 6.385 468 HG11 VAL 63 1HG1 VAL 63 -2.992 -4.219 7.320 469 HG12 VAL 63 2HG1 VAL 63 -2.426 -3.360 8.756 470 HG13 VAL 63 3HG1 VAL 63 -4.166 -3.517 8.423 471 HG21 VAL 63 3HG2 VAL 63 -4.672 -1.107 8.423 472 HG22 VAL 63 1HG2 VAL 63 -3.067 -1.046 9.108 473 HG23 VAL 63 2HG2 VAL 63 -3.517 0.028 7.765 474 H ALA 64 H ALA 64 -1.596 -4.438 6.053 475 HA ALA 64 HA ALA 64 -1.776 -4.163 3.102 476 HB1 ALA 64 1HB ALA 64 0.072 -6.039 4.599 477 HB2 ALA 64 2HB ALA 64 0.003 -5.785 2.843 478 HB3 ALA 64 3HB ALA 64 0.635 -4.510 3.897 479 H ILE 65 H ILE 65 -2.396 -6.284 2.105 480 HA ILE 65 HA ILE 65 -3.822 -8.178 3.818 481 HB ILE 65 HB ILE 65 -5.025 -6.602 1.533 482 HG12 ILE 65 1HG1 ILE 65 -5.139 -5.614 3.869 483 HG13 ILE 65 2HG1 ILE 65 -6.645 -5.809 3.072 484 HG21 ILE 65 1HG2 ILE 65 -6.217 -9.095 2.828 485 HG22 ILE 65 2HG2 ILE 65 -7.103 -7.954 1.788 486 HG23 ILE 65 3HG2 ILE 65 -5.752 -8.873 1.147 487 HD11 ILE 65 3HD1 ILE 65 -7.234 -7.747 4.450 488 HD12 ILE 65 1HD1 ILE 65 -5.574 -7.888 5.064 489 HD13 ILE 65 2HD1 ILE 65 -6.580 -6.541 5.550 490 H ASP 66 H ASP 66 -4.186 -10.183 2.690 491 HA ASP 66 HA ASP 66 -1.996 -11.035 1.024 492 HB2 ASP 66 1HB ASP 66 -2.991 -13.222 1.348 493 HB3 ASP 66 2HB ASP 66 -2.804 -12.359 2.876 494 H TYR 67 H TYR 67 -1.995 -11.203 -1.068 495 HA TYR 67 HA TYR 67 -3.687 -10.199 -2.840 496 HB2 TYR 67 1HB TYR 67 -1.509 -10.519 -3.511 497 HB3 TYR 67 2HB TYR 67 -1.438 -12.174 -2.986 498 HD1 TYR 67 2HD TYR 67 -2.619 -13.993 -4.333 499 HD2 TYR 67 1HD TYR 67 -2.131 -9.934 -5.731 500 HE1 TYR 67 2HE TYR 67 -2.837 -14.777 -6.678 501 HE2 TYR 67 1HE TYR 67 -2.434 -10.686 -8.069 502 HH TYR 67 HH TYR 67 -2.660 -14.160 -8.933 503 H ARG 68 H ARG 68 -4.216 -13.258 -1.458 504 HA ARG 68 HA ARG 68 -5.858 -14.602 -3.384 505 HB2 ARG 68 1HB ARG 68 -6.109 -14.483 -0.409 506 HB3 ARG 68 2HB ARG 68 -6.626 -15.814 -1.387 507 HG2 ARG 68 1HG ARG 68 -3.681 -15.225 -1.414 508 HG3 ARG 68 2HG ARG 68 -4.341 -15.585 0.167 509 HD2 ARG 68 1HD ARG 68 -5.385 -17.650 -0.729 510 HD3 ARG 68 2HD ARG 68 -4.569 -17.335 -2.270 511 HE ARG 68 HE ARG 68 -2.424 -17.354 -0.775 512 HH11 ARG 68 2HH2 ARG 68 -5.203 -19.532 -0.417 513 HH12 ARG 68 1HH2 ARG 68 -4.356 -20.776 0.397 514 HH21 ARG 68 2HH1 ARG 68 -1.245 -18.941 0.247 515 HH22 ARG 68 1HH1 ARG 68 -1.945 -20.474 0.696 516 H HIS 69 H HIS 69 -6.332 -11.912 -1.202 517 HA HIS 69 HA HIS 69 -9.238 -11.772 -1.558 518 HB2 HIS 69 1HB HIS 69 -7.236 -10.482 0.202 519 HB3 HIS 69 2HB HIS 69 -8.499 -9.412 -0.343 520 HD1 HIS 69 1HD HIS 69 -8.566 -13.087 1.101 521 HD2 HIS 69 2HD HIS 69 -10.407 -9.273 1.285 522 HE1 HIS 69 1HE HIS 69 -10.495 -13.281 2.743 523 H TYR 70 H TYR 70 -6.734 -10.882 -3.673 524 HA TYR 70 HA TYR 70 -7.770 -8.271 -4.382 525 HB2 TYR 70 1HB TYR 70 -5.389 -8.823 -4.585 526 HB3 TYR 70 2HB TYR 70 -5.774 -10.061 -5.786 527 HD1 TYR 70 2HD TYR 70 -7.803 -7.052 -6.314 528 HD2 TYR 70 1HD TYR 70 -3.926 -8.815 -6.990 529 HE1 TYR 70 2HE TYR 70 -7.432 -5.497 -8.158 530 HE2 TYR 70 1HE TYR 70 -3.544 -7.254 -8.871 531 HH TYR 70 HH TYR 70 -6.098 -5.373 -10.255 532 H SER 71 H SER 71 -10.022 -9.099 -4.583 533 HA SER 71 HA SER 71 -10.670 -10.245 -7.214 534 HB2 SER 71 1HB SER 71 -12.127 -9.929 -4.816 535 HB3 SER 71 2HB SER 71 -12.852 -8.768 -5.925 536 HG SER 71 HG SER 71 -12.988 -11.469 -5.905 537 H ALA 72 H ALA 72 -11.928 -8.968 -8.762 538 HA ALA 72 HA ALA 72 -10.420 -6.589 -9.417 539 HB1 ALA 72 1HB ALA 72 -12.732 -7.946 -10.850 540 HB2 ALA 72 2HB ALA 72 -11.569 -6.761 -11.511 541 HB3 ALA 72 3HB ALA 72 -11.001 -8.354 -10.989 542 H SER 73 H SER 73 -13.106 -6.809 -7.373 543 HA SER 73 HA SER 73 -14.351 -4.332 -7.801 544 HB2 SER 73 1HB SER 73 -13.375 -5.402 -5.121 545 HB3 SER 73 2HB SER 73 -14.827 -4.439 -5.447 546 HG SER 73 HG SER 73 -14.988 -6.835 -5.113 547 H PHE 74 H PHE 74 -11.184 -5.231 -6.395 548 HA PHE 74 HA PHE 74 -10.533 -2.569 -5.470 549 HB2 PHE 74 1HB PHE 74 -8.914 -5.107 -5.482 550 HB3 PHE 74 2HB PHE 74 -8.667 -3.704 -4.461 551 HD1 PHE 74 1HD PHE 74 -11.340 -2.998 -3.400 552 HD2 PHE 74 2HD PHE 74 -9.712 -6.928 -4.234 553 HE1 PHE 74 1HE PHE 74 -12.855 -4.050 -1.701 554 HE2 PHE 74 2HE PHE 74 -11.364 -7.920 -2.661 555 HZ PHE 74 HZ PHE 74 -12.920 -6.468 -1.414 556 H LYS 75 H LYS 75 -10.806 -2.935 -8.430 557 HA LYS 75 HA LYS 75 -8.295 -3.408 -9.619 558 HB2 LYS 75 1HB LYS 75 -9.870 -3.890 -11.147 559 HB3 LYS 75 2HB LYS 75 -11.065 -2.934 -10.336 560 HG2 LYS 75 1HG LYS 75 -11.151 -1.855 -12.234 561 HG3 LYS 75 2HG LYS 75 -9.880 -0.898 -11.533 562 HD2 LYS 75 1HD LYS 75 -9.729 -3.104 -13.590 563 HD3 LYS 75 2HD LYS 75 -9.357 -1.423 -13.799 564 HE2 LYS 75 1HE LYS 75 -7.272 -1.651 -12.553 565 HE3 LYS 75 2HE LYS 75 -7.692 -3.322 -12.115 566 HZ1 LYS 75 3HZ LYS 75 -6.210 -3.363 -13.973 567 HZ2 LYS 75 1HZ LYS 75 -7.682 -3.845 -14.488 568 HZ3 LYS 75 2HZ LYS 75 -7.189 -2.334 -14.860 569 H LYS 76 H LYS 76 -9.722 -0.411 -8.390 570 HA LYS 76 HA LYS 76 -7.372 1.114 -9.443 571 HB2 LYS 76 1HB LYS 76 -10.143 2.066 -8.816 572 HB3 LYS 76 2HB LYS 76 -8.759 3.107 -9.170 573 HG2 LYS 76 1HG LYS 76 -8.535 1.682 -11.357 574 HG3 LYS 76 2HG LYS 76 -10.197 1.165 -10.994 575 HD2 LYS 76 1HD LYS 76 -10.880 3.567 -10.956 576 HD3 LYS 76 2HD LYS 76 -9.245 4.027 -11.382 577 HE2 LYS 76 1HE LYS 76 -9.654 2.304 -13.407 578 HE3 LYS 76 2HE LYS 76 -11.346 2.611 -13.022 579 HZ1 LYS 76 3HZ LYS 76 -10.756 5.066 -13.318 580 HZ2 LYS 76 1HZ LYS 76 -9.375 4.546 -14.048 581 HZ3 LYS 76 2HZ LYS 76 -10.816 4.131 -14.655 582 H GLY 77 H GLY 77 -7.858 -0.639 -6.807 583 HA2 GLY 77 1HA GLY 77 -6.228 -0.273 -5.035 584 HA3 GLY 77 2HA GLY 77 -6.767 1.406 -4.938 585 H ALA 78 H ALA 78 -6.814 0.011 -2.605 586 HA ALA 78 HA ALA 78 -9.658 -0.165 -1.987 587 HB1 ALA 78 1HB ALA 78 -7.764 -2.521 -1.631 588 HB2 ALA 78 2HB ALA 78 -9.400 -2.430 -0.940 589 HB3 ALA 78 3HB ALA 78 -9.179 -2.445 -2.690 590 H LYS 79 H LYS 79 -9.992 -0.626 0.376 591 HA LYS 79 HA LYS 79 -7.881 0.182 2.220 592 HB2 LYS 79 1HB LYS 79 -9.440 1.795 3.281 593 HB3 LYS 79 2HB LYS 79 -8.860 2.349 1.722 594 HG2 LYS 79 1HG LYS 79 -10.988 2.130 0.708 595 HG3 LYS 79 2HG LYS 79 -11.455 0.831 1.758 596 HD2 LYS 79 1HD LYS 79 -11.275 2.918 3.555 597 HD3 LYS 79 2HD LYS 79 -11.679 3.787 2.068 598 HE2 LYS 79 1HE LYS 79 -13.823 3.202 2.463 599 HE3 LYS 79 2HE LYS 79 -13.346 1.595 1.904 600 HZ1 LYS 79 3HZ LYS 79 -13.365 2.539 4.754 601 HZ2 LYS 79 1HZ LYS 79 -14.422 1.480 4.113 602 HZ3 LYS 79 2HZ LYS 79 -12.870 1.047 4.320 603 H LEU 80 H LEU 80 -8.873 -0.074 4.484 604 HA LEU 80 HA LEU 80 -10.948 -2.200 4.585 605 HB2 LEU 80 1HB LEU 80 -8.312 -2.543 5.356 606 HB3 LEU 80 2HB LEU 80 -9.012 -2.014 6.864 607 HG LEU 80 HG LEU 80 -10.457 -4.162 5.320 608 HD11 LEU 80 1HD1 LEU 80 -7.920 -4.727 6.921 609 HD12 LEU 80 2HD1 LEU 80 -8.961 -5.924 6.131 610 HD13 LEU 80 3HD1 LEU 80 -8.065 -4.786 5.140 611 HD21 LEU 80 3HD2 LEU 80 -11.365 -3.531 7.555 612 HD22 LEU 80 1HD2 LEU 80 -10.875 -5.204 7.469 613 HD23 LEU 80 2HD2 LEU 80 -9.832 -4.014 8.300 614 H LEU 81 H LEU 81 -11.091 -1.888 7.403 615 HA LEU 81 HA LEU 81 -13.334 -0.630 7.822 616 HB2 LEU 81 1HB LEU 81 -11.627 -1.911 9.369 617 HB3 LEU 81 2HB LEU 81 -11.206 -0.343 9.971 618 HG LEU 81 HG LEU 81 -14.130 -1.069 9.830 619 HD11 LEU 81 1HD1 LEU 81 -12.202 -2.062 11.964 620 HD12 LEU 81 2HD1 LEU 81 -13.977 -2.125 12.068 621 HD13 LEU 81 3HD1 LEU 81 -13.143 -3.055 10.822 622 HD21 LEU 81 3HD2 LEU 81 -14.261 0.313 11.857 623 HD22 LEU 81 1HD2 LEU 81 -12.499 0.501 11.874 624 HD23 LEU 81 2HD2 LEU 81 -13.466 1.219 10.563 625 H HIS 82 H HIS 82 -10.278 1.015 8.441 626 HA HIS 82 HA HIS 82 -11.460 3.444 7.218 627 HB2 HIS 82 1HB HIS 82 -10.467 4.972 8.832 628 HB3 HIS 82 2HB HIS 82 -11.706 3.955 9.550 629 HD1 HIS 82 1HD HIS 82 -8.466 5.285 10.469 630 HD2 HIS 82 2HD HIS 82 -10.495 1.609 10.896 631 HE1 HIS 82 1HE HIS 82 -7.397 4.104 12.423 632 H LYS 83 H LYS 83 -8.670 1.393 7.791 633 HA LYS 83 HA LYS 83 -6.866 3.466 6.889 634 HB2 LYS 83 1HB LYS 83 -6.492 0.638 7.979 635 HB3 LYS 83 2HB LYS 83 -5.154 1.688 7.556 636 HG2 LYS 83 1HG LYS 83 -6.272 3.495 9.007 637 HG3 LYS 83 2HG LYS 83 -7.314 2.236 9.614 638 HD2 LYS 83 1HD LYS 83 -4.326 1.818 9.698 639 HD3 LYS 83 2HD LYS 83 -5.037 2.968 10.824 640 HE2 LYS 83 1HE LYS 83 -6.857 0.912 11.081 641 HE3 LYS 83 2HE LYS 83 -5.403 -0.021 10.710 642 HZ1 LYS 83 3HZ LYS 83 -4.308 0.976 12.559 643 HZ2 LYS 83 1HZ LYS 83 -5.542 2.003 12.855 644 HZ3 LYS 83 2HZ LYS 83 -5.756 0.415 13.131 645 HA PRO 84 HA PRO 84 -6.160 2.064 2.792 646 HB2 PRO 84 1HB PRO 84 -3.566 2.720 2.298 647 HB3 PRO 84 2HB PRO 84 -4.812 3.972 2.594 648 HG2 PRO 84 1HG PRO 84 -2.828 2.824 4.565 649 HG3 PRO 84 2HG PRO 84 -3.204 4.532 4.291 650 HD2 PRO 84 1HD PRO 84 -4.255 2.969 6.273 651 HD3 PRO 84 2HD PRO 84 -5.175 4.325 5.625 652 H ILE 85 H ILE 85 -5.250 0.252 1.597 653 HA ILE 85 HA ILE 85 -3.682 -1.643 3.216 654 HB ILE 85 HB ILE 85 -5.075 -3.505 2.724 655 HG12 ILE 85 1HG1 ILE 85 -7.362 -2.731 1.375 656 HG13 ILE 85 2HG1 ILE 85 -6.177 -1.771 0.542 657 HG21 ILE 85 1HG2 ILE 85 -6.923 -1.294 3.517 658 HG22 ILE 85 2HG2 ILE 85 -7.116 -3.052 3.714 659 HG23 ILE 85 3HG2 ILE 85 -5.816 -2.188 4.564 660 HD11 ILE 85 3HD1 ILE 85 -6.456 -3.930 -0.597 661 HD12 ILE 85 1HD1 ILE 85 -4.831 -3.862 0.099 662 HD13 ILE 85 2HD1 ILE 85 -6.117 -4.791 0.902 663 H VAL 86 H VAL 86 -2.552 -3.201 1.905 664 HA VAL 86 HA VAL 86 -2.090 -2.431 -0.917 665 HB VAL 86 HB VAL 86 0.327 -2.630 -0.626 666 HG11 VAL 86 1HG1 VAL 86 -0.842 -0.470 1.187 667 HG12 VAL 86 2HG1 VAL 86 0.783 -0.470 0.482 668 HG13 VAL 86 3HG1 VAL 86 -0.635 -0.398 -0.579 669 HG21 VAL 86 3HG2 VAL 86 -0.118 -2.683 2.366 670 HG22 VAL 86 1HG2 VAL 86 0.565 -3.987 1.364 671 HG23 VAL 86 2HG2 VAL 86 1.423 -2.454 1.560 672 H TRP 87 H TRP 87 -1.331 -4.234 -2.184 673 HA TRP 87 HA TRP 87 -1.822 -6.836 -0.946 674 HB2 TRP 87 1HB TRP 87 -0.952 -6.200 -3.779 675 HB3 TRP 87 2HB TRP 87 -1.588 -7.703 -3.180 676 HD1 TRP 87 HD TRP 87 -2.660 -4.420 -4.525 677 HE1 TRP 87 1HE TRP 87 -5.223 -4.153 -4.559 678 HE3 TRP 87 3HE TRP 87 -3.867 -8.363 -1.569 679 HZ2 TRP 87 2HZ TRP 87 -7.480 -5.361 -3.223 680 HZ3 TRP 87 3HZ TRP 87 -6.195 -8.758 -0.919 681 HH2 TRP 87 HH TRP 87 -8.009 -7.235 -1.664 682 H HIS 88 H HIS 88 -0.227 -7.930 0.003 683 HA HIS 88 HA HIS 88 2.636 -7.544 -0.712 684 HB2 HIS 88 1HB HIS 88 3.348 -7.735 1.482 685 HB3 HIS 88 2HB HIS 88 2.002 -6.611 1.618 686 HD1 HIS 88 1HD HIS 88 3.307 -9.573 3.317 687 HD2 HIS 88 2HD HIS 88 -0.473 -8.014 2.381 688 HE1 HIS 88 1HE HIS 88 1.650 -10.830 4.745 689 H ILE 89 H ILE 89 3.782 -9.466 -0.854 690 HA ILE 89 HA ILE 89 2.331 -12.033 -0.342 691 HB ILE 89 HB ILE 89 3.852 -11.224 -2.856 692 HG12 ILE 89 1HG1 ILE 89 1.078 -12.466 -2.547 693 HG13 ILE 89 2HG1 ILE 89 1.367 -10.739 -2.729 694 HG21 ILE 89 1HG2 ILE 89 2.993 -14.034 -2.014 695 HG22 ILE 89 2HG2 ILE 89 3.719 -13.589 -3.577 696 HG23 ILE 89 3HG2 ILE 89 4.664 -13.445 -2.100 697 HD11 ILE 89 3HD1 ILE 89 0.773 -11.606 -4.884 698 HD12 ILE 89 1HD1 ILE 89 2.498 -11.173 -4.927 699 HD13 ILE 89 2HD1 ILE 89 2.007 -12.870 -4.788 700 H ASN 90 H ASN 90 3.538 -13.041 1.208 701 HA ASN 90 HA ASN 90 5.253 -13.723 2.415 702 HB2 ASN 90 1HB ASN 90 7.126 -14.684 1.414 703 HB3 ASN 90 2HB ASN 90 5.727 -14.984 0.426 704 HD21 ASN 90 1HD2 ASN 90 8.234 -12.450 0.619 705 HD22 ASN 90 2HD2 ASN 90 8.736 -12.481 -1.068 706 H GLN 91 H GLN 91 4.670 -11.043 2.607 707 HA GLN 91 HA GLN 91 5.325 -9.089 3.490 708 HB2 GLN 91 1HB GLN 91 7.996 -10.376 4.130 709 HB3 GLN 91 2HB GLN 91 7.342 -8.900 4.811 710 HG2 GLN 91 1HG GLN 91 5.424 -10.248 5.771 711 HG3 GLN 91 2HG GLN 91 6.285 -11.709 5.247 712 HE21 GLN 91 1HE2 GLN 91 8.907 -11.359 5.853 713 HE22 GLN 91 2HE2 GLN 91 9.148 -10.832 7.517 714 H ALA 92 H ALA 92 6.115 -9.883 0.533 715 HA ALA 92 HA ALA 92 7.979 -7.641 0.054 716 HB1 ALA 92 1HB ALA 92 9.155 -9.841 -0.133 717 HB2 ALA 92 2HB ALA 92 7.969 -10.316 -1.380 718 HB3 ALA 92 3HB ALA 92 9.071 -8.952 -1.663 719 H THR 93 H THR 93 7.828 -7.407 -2.564 720 HA THR 93 HA THR 93 5.042 -7.555 -3.443 721 HB THR 93 HB THR 93 5.324 -5.326 -2.462 722 HG1 THR 93 1HG THR 93 5.218 -4.336 -4.870 723 HG21 THR 93 3HG2 THR 93 6.878 -3.642 -3.321 724 HG22 THR 93 1HG2 THR 93 7.799 -5.014 -2.696 725 HG23 THR 93 2HG2 THR 93 7.589 -4.817 -4.441 726 H THR 94 H THR 94 4.942 -7.738 -5.769 727 HA THR 94 HA THR 94 7.495 -8.134 -7.197 728 HB THR 94 HB THR 94 6.873 -10.289 -7.988 729 HG1 THR 94 1HG THR 94 4.896 -11.238 -7.503 730 HG21 THR 94 3HG2 THR 94 7.775 -10.355 -5.646 731 HG22 THR 94 1HG2 THR 94 6.104 -10.411 -5.037 732 HG23 THR 94 2HG2 THR 94 6.717 -11.721 -6.053 733 H LYS 95 H LYS 95 6.668 -8.673 -9.710 734 HA LYS 95 HA LYS 95 5.135 -6.397 -10.482 735 HB2 LYS 95 1HB LYS 95 6.830 -7.786 -11.877 736 HB3 LYS 95 2HB LYS 95 5.419 -8.765 -12.292 737 HG2 LYS 95 1HG LYS 95 4.404 -6.278 -12.803 738 HG3 LYS 95 2HG LYS 95 6.107 -5.900 -12.973 739 HD2 LYS 95 1HD LYS 95 4.552 -8.024 -14.519 740 HD3 LYS 95 2HD LYS 95 5.069 -6.441 -15.131 741 HE2 LYS 95 1HE LYS 95 7.425 -7.063 -14.791 742 HE3 LYS 95 2HE LYS 95 6.939 -8.634 -14.144 743 HZ1 LYS 95 3HZ LYS 95 6.593 -7.728 -16.937 744 HZ2 LYS 95 1HZ LYS 95 7.548 -8.935 -16.356 745 HZ3 LYS 95 2HZ LYS 95 5.921 -9.103 -16.321 746 H THR 96 H THR 96 4.005 -9.290 -9.013 747 HA THR 96 HA THR 96 1.380 -9.316 -10.287 748 HB THR 96 HB THR 96 2.508 -10.592 -7.772 749 HG1 THR 96 1HG THR 96 1.984 -11.640 -10.363 750 HG21 THR 96 3HG2 THR 96 0.632 -12.184 -7.936 751 HG22 THR 96 1HG2 THR 96 0.117 -10.536 -7.544 752 HG23 THR 96 2HG2 THR 96 -0.099 -11.160 -9.193 753 H THR 97 H THR 97 2.914 -7.695 -7.422 754 HA THR 97 HA THR 97 0.243 -6.582 -6.674 755 HB THR 97 HB THR 97 1.410 -6.332 -4.437 756 HG1 THR 97 1HG THR 97 3.528 -6.449 -4.812 757 HG21 THR 97 3HG2 THR 97 -0.058 -8.321 -4.937 758 HG22 THR 97 1HG2 THR 97 1.369 -9.203 -5.493 759 HG23 THR 97 2HG2 THR 97 1.242 -8.689 -3.798 760 H PHE 98 H PHE 98 3.074 -5.744 -8.213 761 HA PHE 98 HA PHE 98 3.724 -3.175 -7.299 762 HB2 PHE 98 1HB PHE 98 5.276 -4.217 -8.632 763 HB3 PHE 98 2HB PHE 98 4.062 -4.812 -9.771 764 HD1 PHE 98 2HD PHE 98 5.502 -1.531 -8.665 765 HD2 PHE 98 1HD PHE 98 4.028 -3.955 -11.891 766 HE1 PHE 98 2HE PHE 98 6.065 0.281 -10.283 767 HE2 PHE 98 1HE PHE 98 4.723 -2.222 -13.521 768 HZ PHE 98 HZ PHE 98 5.791 -0.120 -12.731 769 H LYS 99 H LYS 99 1.660 -4.067 -10.146 770 HA LYS 99 HA LYS 99 1.053 -1.362 -10.799 771 HB2 LYS 99 1HB LYS 99 -0.380 -3.995 -11.393 772 HB3 LYS 99 2HB LYS 99 -1.064 -2.436 -11.832 773 HG2 LYS 99 1HG LYS 99 1.205 -1.918 -12.975 774 HG3 LYS 99 2HG LYS 99 1.497 -3.640 -12.876 775 HD2 LYS 99 1HD LYS 99 0.280 -3.964 -14.732 776 HD3 LYS 99 2HD LYS 99 -1.156 -3.316 -13.952 777 HE2 LYS 99 1HE LYS 99 0.988 -1.676 -15.379 778 HE3 LYS 99 2HE LYS 99 -0.565 -2.140 -16.075 779 HZ1 LYS 99 3HZ LYS 99 -1.657 -0.810 -14.350 780 HZ2 LYS 99 1HZ LYS 99 -0.211 -0.357 -13.720 781 HZ3 LYS 99 2HZ LYS 99 -0.578 0.087 -15.239 782 HA PRO 100 HA PRO 100 -2.824 -1.638 -8.170 783 HB2 PRO 100 1HB PRO 100 -3.287 -3.465 -6.257 784 HB3 PRO 100 2HB PRO 100 -3.631 -3.821 -7.968 785 HG2 PRO 100 1HG PRO 100 -1.167 -4.634 -6.475 786 HG3 PRO 100 2HG PRO 100 -2.236 -5.645 -7.484 787 HD2 PRO 100 1HD PRO 100 0.004 -4.554 -8.521 788 HD3 PRO 100 2HD PRO 100 -1.494 -4.634 -9.488 789 H ASN 101 H ASN 101 0.431 -2.365 -6.723 790 HA ASN 101 HA ASN 101 -0.115 -0.924 -4.321 791 HB2 ASN 101 1HB ASN 101 2.308 -2.059 -5.686 792 HB3 ASN 101 2HB ASN 101 2.556 -0.584 -4.810 793 HD21 ASN 101 1HD2 ASN 101 2.910 -3.792 -4.268 794 HD22 ASN 101 2HD2 ASN 101 2.406 -3.878 -2.590 795 H THR 102 H THR 102 0.922 0.086 -7.666 796 HA THR 102 HA THR 102 1.545 2.729 -6.907 797 HB THR 102 HB THR 102 1.387 3.443 -9.031 798 HG1 THR 102 1HG THR 102 -0.837 2.682 -9.470 799 HG21 THR 102 3HG2 THR 102 2.269 1.823 -10.594 800 HG22 THR 102 1HG2 THR 102 3.076 1.813 -9.049 801 HG23 THR 102 2HG2 THR 102 1.895 0.509 -9.456 802 H TRP 103 H TRP 103 -1.598 1.224 -7.440 803 HA TRP 103 HA TRP 103 -3.135 3.662 -7.325 804 HB2 TRP 103 1HB TRP 103 -3.855 0.731 -6.987 805 HB3 TRP 103 2HB TRP 103 -5.003 2.025 -6.774 806 HD1 TRP 103 HD TRP 103 -3.025 0.265 -9.510 807 HE1 TRP 103 1HE TRP 103 -3.830 1.061 -11.796 808 HE3 TRP 103 3HE TRP 103 -5.899 4.218 -8.010 809 HZ2 TRP 103 2HZ TRP 103 -5.769 2.976 -12.814 810 HZ3 TRP 103 3HZ TRP 103 -7.229 5.506 -9.660 811 HH2 TRP 103 HH TRP 103 -7.226 4.864 -12.020 812 H CYS 104 H CYS 104 -1.941 1.427 -4.761 813 HA CYS 104 HA CYS 104 -3.452 2.810 -2.708 814 HB2 CYS 104 1HB CYS 104 -2.363 0.527 -2.385 815 HB3 CYS 104 2HB CYS 104 -0.803 1.379 -2.337 816 HG CYS 104 HG CYS 104 -1.773 3.206 -0.508 817 H LEU 105 H LEU 105 -0.172 3.232 -4.220 818 HA LEU 105 HA LEU 105 0.745 5.139 -2.282 819 HB2 LEU 105 1HB LEU 105 1.543 4.702 -5.185 820 HB3 LEU 105 2HB LEU 105 2.408 5.745 -4.073 821 HG LEU 105 HG LEU 105 2.005 2.769 -3.584 822 HD11 LEU 105 1HD1 LEU 105 4.532 4.025 -4.660 823 HD12 LEU 105 2HD1 LEU 105 4.168 2.320 -4.428 824 HD13 LEU 105 3HD1 LEU 105 3.312 3.246 -5.684 825 HD21 LEU 105 3HD2 LEU 105 3.950 4.754 -2.327 826 HD22 LEU 105 1HD2 LEU 105 2.536 4.030 -1.545 827 HD23 LEU 105 2HD2 LEU 105 3.882 3.000 -2.021 828 H ARG 106 H ARG 106 -0.988 5.380 -5.368 829 HA ARG 106 HA ARG 106 -1.076 8.217 -5.453 830 HB2 ARG 106 1HB ARG 106 -2.944 6.057 -6.585 831 HB3 ARG 106 2HB ARG 106 -3.168 7.788 -6.905 832 HG2 ARG 106 1HG ARG 106 -0.913 7.959 -7.720 833 HG3 ARG 106 2HG ARG 106 -0.632 6.230 -7.552 834 HD2 ARG 106 1HD ARG 106 -1.993 5.742 -9.402 835 HD3 ARG 106 2HD ARG 106 -3.033 7.157 -9.115 836 HE ARG 106 HE ARG 106 -0.334 7.844 -9.876 837 HH11 ARG 106 2HH2 ARG 106 -3.606 7.247 -11.030 838 HH12 ARG 106 1HH2 ARG 106 -3.473 8.230 -12.449 839 HH21 ARG 106 2HH1 ARG 106 -0.132 9.243 -11.738 840 HH22 ARG 106 1HH1 ARG 106 -1.445 9.384 -12.841 841 H CYS 107 H CYS 107 -2.869 6.055 -3.359 842 HA CYS 107 HA CYS 107 -4.938 8.060 -2.815 843 HB2 CYS 107 1HB CYS 107 -5.126 5.413 -2.627 844 HB3 CYS 107 2HB CYS 107 -4.388 5.678 -1.032 845 HG CYS 107 HG CYS 107 -6.110 7.578 -0.292 846 H LEU 108 H LEU 108 -1.877 6.761 -1.454 847 HA LEU 108 HA LEU 108 -1.953 8.232 0.991 848 HB2 LEU 108 1HB LEU 108 0.482 7.276 -0.520 849 HB3 LEU 108 2HB LEU 108 0.380 7.671 1.194 850 HG LEU 108 HG LEU 108 -0.760 5.272 -0.251 851 HD11 LEU 108 1HD1 LEU 108 1.331 5.485 1.917 852 HD12 LEU 108 2HD1 LEU 108 0.814 4.005 1.066 853 HD13 LEU 108 3HD1 LEU 108 1.648 5.295 0.178 854 HD21 LEU 108 3HD2 LEU 108 -1.046 5.835 2.709 855 HD22 LEU 108 1HD2 LEU 108 -2.364 5.881 1.521 856 HD23 LEU 108 2HD2 LEU 108 -1.532 4.357 1.858 857 H TRP 109 H TRP 109 -0.882 9.145 -2.339 858 HA TRP 109 HA TRP 109 0.697 11.366 -1.845 859 HB2 TRP 109 1HB TRP 109 -1.387 10.797 -4.008 860 HB3 TRP 109 2HB TRP 109 -0.323 12.120 -4.029 861 HD1 TRP 109 HD TRP 109 1.826 9.389 -2.953 862 HE1 TRP 109 1HE TRP 109 3.059 8.344 -4.911 863 HE3 TRP 109 3HE TRP 109 -1.037 11.192 -6.764 864 HZ2 TRP 109 2HZ TRP 109 2.750 8.150 -7.792 865 HZ3 TRP 109 3HZ TRP 109 -0.577 10.557 -9.113 866 HH2 TRP 109 HH TRP 109 1.304 8.994 -9.633 867 H SER 110 H SER 110 0.191 13.589 -1.629 868 HA SER 110 HA SER 110 -2.368 14.085 -0.212 869 HB2 SER 110 1HB SER 110 0.322 14.805 0.349 870 HB3 SER 110 2HB SER 110 -0.432 16.294 -0.222 871 HG SER 110 HG SER 110 -0.837 16.185 1.915 872 H THR 111 H THR 111 -3.613 16.093 -0.837 873 HA THR 111 HA THR 111 -3.348 16.690 -3.720 874 HB THR 111 HB THR 111 -5.492 17.956 -3.228 875 HG1 THR 111 1HG THR 111 -6.600 17.185 -1.356 876 HG21 THR 111 3HG2 THR 111 -5.348 15.661 -4.213 877 HG22 THR 111 1HG2 THR 111 -5.517 14.978 -2.588 878 HG23 THR 111 2HG2 THR 111 -6.830 15.937 -3.303 879 H LYS 112 H LYS 112 -2.822 18.784 -4.531 880 HA LYS 112 HA LYS 112 -1.668 20.338 -4.861 881 HB2 LYS 112 1HB LYS 112 -3.287 21.492 -3.443 882 HB3 LYS 112 2HB LYS 112 -2.201 21.249 -2.077 883 HG2 LYS 112 1HG LYS 112 -0.484 22.681 -3.205 884 HG3 LYS 112 2HG LYS 112 -1.491 22.700 -4.674 885 HD2 LYS 112 1HD LYS 112 -1.810 24.766 -3.673 886 HD3 LYS 112 2HD LYS 112 -3.291 23.803 -3.421 887 HE2 LYS 112 1HE LYS 112 -2.525 23.274 -1.116 888 HE3 LYS 112 2HE LYS 112 -1.049 24.211 -1.368 889 HZ1 LYS 112 3HZ LYS 112 -2.774 25.410 -0.192 890 HZ2 LYS 112 1HZ LYS 112 -2.384 26.162 -1.626 891 HZ3 LYS 112 2HZ LYS 112 -3.793 25.274 -1.465 892 HA PRO 113 HA PRO 113 2.378 19.070 -3.499 893 HB2 PRO 113 1HB PRO 113 3.924 21.092 -4.605 894 HB3 PRO 113 2HB PRO 113 3.254 19.695 -5.506 895 HG2 PRO 113 1HG PRO 113 2.009 22.443 -5.201 896 HG3 PRO 113 2HG PRO 113 2.293 21.528 -6.731 897 HD2 PRO 113 1HD PRO 113 -0.061 21.487 -5.547 898 HD3 PRO 113 2HD PRO 113 0.602 19.954 -6.169 899 H VAL 114 H VAL 114 3.657 19.509 -1.884 900 HA VAL 114 HA VAL 114 3.305 21.954 -0.213 901 HB VAL 114 HB VAL 114 3.872 19.405 1.222 902 HG11 VAL 114 1HG1 VAL 114 3.327 21.605 2.315 903 HG12 VAL 114 2HG1 VAL 114 1.704 21.518 1.615 904 HG13 VAL 114 3HG1 VAL 114 2.241 20.298 2.791 905 HG21 VAL 114 3HG2 VAL 114 1.580 18.583 1.203 906 HG22 VAL 114 1HG2 VAL 114 1.157 19.717 -0.094 907 HG23 VAL 114 2HG2 VAL 114 2.356 18.411 -0.358 908 H ASP 115 H ASP 115 5.412 21.259 -2.189 909 HA ASP 115 HA ASP 115 7.763 21.374 -0.390 910 HB2 ASP 115 1HB ASP 115 7.275 19.028 -1.301 911 HB3 ASP 115 2HB ASP 115 7.709 19.675 -2.889 912 H THR 116 H THR 116 6.151 23.274 -2.122 913 HA THR 116 HA THR 116 8.217 24.907 -3.108 914 HB THR 116 HB THR 116 6.219 23.573 -4.992 915 HG1 THR 116 1HG THR 116 7.983 23.017 -6.053 916 HG21 THR 116 3HG2 THR 116 5.919 25.869 -5.536 917 HG22 THR 116 1HG2 THR 116 7.653 26.214 -5.497 918 HG23 THR 116 2HG2 THR 116 6.965 25.175 -6.775 Start of MODEL 5 1 H1 MET 1 H MET 1 -13.467 -16.275 5.580 2 HA MET 1 HA MET 1 -10.533 -16.417 5.492 3 HB2 MET 1 1HB MET 1 -12.649 -18.357 6.443 4 HB3 MET 1 2HB MET 1 -11.097 -18.955 5.845 5 HG2 MET 1 1HG MET 1 -10.037 -17.111 7.346 6 HG3 MET 1 2HG MET 1 -11.580 -17.129 8.187 7 HE1 MET 1 3HE MET 1 -9.313 -17.488 9.947 8 HE2 MET 1 1HE MET 1 -8.521 -19.076 10.127 9 HE3 MET 1 2HE MET 1 -8.193 -18.061 8.709 10 H TYR 2 H TYR 2 -12.642 -18.944 4.011 11 HA TYR 2 HA TYR 2 -11.026 -19.057 1.749 12 HB2 TYR 2 1HB TYR 2 -13.274 -20.196 0.812 13 HB3 TYR 2 2HB TYR 2 -12.039 -20.980 1.715 14 HD1 TYR 2 1HD TYR 2 -12.183 -21.130 4.137 15 HD2 TYR 2 2HD TYR 2 -15.544 -20.048 1.741 16 HE1 TYR 2 1HE TYR 2 -13.778 -21.841 6.021 17 HE2 TYR 2 2HE TYR 2 -17.105 -20.749 3.534 18 HH TYR 2 HH TYR 2 -17.323 -21.500 5.668 19 H THR 3 H THR 3 -14.385 -18.336 1.851 20 HA THR 3 HA THR 3 -14.395 -15.927 0.191 21 HB THR 3 HB THR 3 -15.862 -18.574 -0.241 22 HG1 THR 3 1HG THR 3 -14.552 -18.857 -1.837 23 HG21 THR 3 3HG2 THR 3 -16.188 -15.993 -1.821 24 HG22 THR 3 1HG2 THR 3 -16.718 -17.597 -2.389 25 HG23 THR 3 2HG2 THR 3 -17.452 -16.896 -0.958 26 H GLU 4 H GLU 4 -14.918 -17.104 3.053 27 HA GLU 4 HA GLU 4 -17.634 -16.237 3.694 28 HB2 GLU 4 1HB GLU 4 -16.591 -18.144 4.866 29 HB3 GLU 4 2HB GLU 4 -15.285 -17.117 5.421 30 HG2 GLU 4 1HG GLU 4 -17.720 -15.825 6.226 31 HG3 GLU 4 2HG GLU 4 -17.951 -17.558 6.544 32 H GLN 5 H GLN 5 -17.225 -14.253 2.667 33 HA GLN 5 HA GLN 5 -16.982 -12.136 2.382 34 HB2 GLN 5 1HB GLN 5 -18.378 -12.367 4.469 35 HB3 GLN 5 2HB GLN 5 -16.954 -11.808 5.358 36 HG2 GLN 5 1HG GLN 5 -17.064 -9.638 4.373 37 HG3 GLN 5 2HG GLN 5 -18.095 -10.193 3.068 38 HE21 GLN 5 1HE2 GLN 5 -18.252 -8.423 5.909 39 HE22 GLN 5 2HE2 GLN 5 -19.910 -8.806 6.377 40 HA PRO 6 HA PRO 6 -12.612 -11.140 2.555 41 HB2 PRO 6 1HB PRO 6 -12.598 -8.682 1.353 42 HB3 PRO 6 2HB PRO 6 -12.865 -10.174 0.415 43 HG2 PRO 6 1HG PRO 6 -14.951 -8.261 1.522 44 HG3 PRO 6 2HG PRO 6 -14.843 -8.938 -0.131 45 HD2 PRO 6 1HD PRO 6 -16.440 -10.032 1.814 46 HD3 PRO 6 2HD PRO 6 -15.644 -11.043 0.577 47 H ILE 7 H ILE 7 -11.240 -9.839 3.691 48 HA ILE 7 HA ILE 7 -12.220 -9.140 6.243 49 HB ILE 7 HB ILE 7 -9.511 -8.593 4.998 50 HG12 ILE 7 1HG1 ILE 7 -10.387 -10.956 6.730 51 HG13 ILE 7 2HG1 ILE 7 -10.201 -11.030 4.980 52 HG21 ILE 7 1HG2 ILE 7 -10.098 -7.286 7.101 53 HG22 ILE 7 2HG2 ILE 7 -10.273 -8.827 7.942 54 HG23 ILE 7 3HG2 ILE 7 -8.697 -8.342 7.263 55 HD11 ILE 7 3HD1 ILE 7 -7.795 -10.409 5.202 56 HD12 ILE 7 1HD1 ILE 7 -7.970 -10.515 6.971 57 HD13 ILE 7 2HD1 ILE 7 -8.232 -11.948 5.969 58 H ASP 8 H ASP 8 -13.779 -7.588 6.053 59 HA ASP 8 HA ASP 8 -14.815 -5.751 5.269 60 HB2 ASP 8 1HB ASP 8 -13.518 -5.498 7.727 61 HB3 ASP 8 2HB ASP 8 -13.285 -3.931 6.984 62 H LEU 9 H LEU 9 -13.215 -6.352 3.359 63 HA LEU 9 HA LEU 9 -11.429 -4.201 2.714 64 HB2 LEU 9 1HB LEU 9 -11.316 -6.901 2.349 65 HB3 LEU 9 2HB LEU 9 -11.859 -6.416 0.754 66 HG LEU 9 HG LEU 9 -9.335 -5.528 2.243 67 HD11 LEU 9 1HD1 LEU 9 -8.253 -6.590 0.342 68 HD12 LEU 9 2HD1 LEU 9 -9.392 -7.738 1.094 69 HD13 LEU 9 3HD1 LEU 9 -9.843 -6.875 -0.410 70 HD21 LEU 9 3HD2 LEU 9 -10.393 -4.531 -0.437 71 HD22 LEU 9 1HD2 LEU 9 -9.961 -3.551 0.993 72 HD23 LEU 9 2HD2 LEU 9 -8.708 -4.376 0.081 73 H VAL 10 H VAL 10 -11.712 -2.681 1.301 74 HA VAL 10 HA VAL 10 -14.306 -2.551 -0.160 75 HB VAL 10 HB VAL 10 -14.844 -0.413 0.924 76 HG11 VAL 10 1HG1 VAL 10 -15.869 -2.709 1.338 77 HG12 VAL 10 2HG1 VAL 10 -14.878 -2.811 2.787 78 HG13 VAL 10 3HG1 VAL 10 -16.074 -1.519 2.658 79 HG21 VAL 10 3HG2 VAL 10 -12.685 0.024 2.093 80 HG22 VAL 10 1HG2 VAL 10 -14.086 0.029 3.185 81 HG23 VAL 10 2HG2 VAL 10 -12.984 -1.358 3.142 82 HA PRO 11 HA PRO 11 -11.525 -0.707 -3.013 83 HB2 PRO 11 1HB PRO 11 -13.532 0.212 -4.771 84 HB3 PRO 11 2HB PRO 11 -12.513 -1.225 -4.944 85 HG2 PRO 11 1HG PRO 11 -15.326 -1.216 -4.380 86 HG3 PRO 11 2HG PRO 11 -14.220 -2.614 -4.379 87 HD2 PRO 11 1HD PRO 11 -15.310 -1.074 -2.076 88 HD3 PRO 11 2HD PRO 11 -14.653 -2.728 -2.159 89 H THR 12 H THR 12 -11.058 1.426 -3.887 90 HA THR 12 HA THR 12 -12.753 3.632 -3.200 91 HB THR 12 HB THR 12 -11.530 3.266 -1.088 92 HG1 THR 12 1HG THR 12 -12.209 5.199 -1.319 93 HG21 THR 12 3HG2 THR 12 -9.209 3.909 -0.826 94 HG22 THR 12 1HG2 THR 12 -9.369 2.466 -1.821 95 HG23 THR 12 2HG2 THR 12 -9.015 4.043 -2.597 96 H GLN 13 H GLN 13 -10.920 5.677 -3.781 97 HA GLN 13 HA GLN 13 -10.074 5.140 -6.560 98 HB2 GLN 13 1HB GLN 13 -11.334 7.160 -7.294 99 HB3 GLN 13 2HB GLN 13 -12.308 5.747 -6.946 100 HG2 GLN 13 1HG GLN 13 -12.027 7.774 -4.742 101 HG3 GLN 13 2HG GLN 13 -12.926 8.219 -6.184 102 HE21 GLN 13 1HE2 GLN 13 -15.142 8.202 -5.383 103 HE22 GLN 13 2HE2 GLN 13 -15.779 6.783 -4.606 104 HA PRO 14 HA PRO 14 -7.050 8.178 -5.063 105 HB2 PRO 14 1HB PRO 14 -5.958 9.102 -7.371 106 HB3 PRO 14 2HB PRO 14 -5.636 7.434 -6.839 107 HG2 PRO 14 1HG PRO 14 -7.605 8.417 -8.925 108 HG3 PRO 14 2HG PRO 14 -6.557 6.971 -8.984 109 HD2 PRO 14 1HD PRO 14 -9.282 7.011 -8.268 110 HD3 PRO 14 2HD PRO 14 -8.151 5.707 -7.826 111 H LEU 15 H LEU 15 -6.941 10.263 -4.766 112 HA LEU 15 HA LEU 15 -9.228 11.949 -5.029 113 HB2 LEU 15 1HB LEU 15 -6.298 12.356 -4.368 114 HB3 LEU 15 2HB LEU 15 -7.454 13.648 -4.344 115 HG LEU 15 HG LEU 15 -6.741 12.436 -2.185 116 HD11 LEU 15 1HD1 LEU 15 -8.529 14.203 -2.423 117 HD12 LEU 15 2HD1 LEU 15 -9.724 12.908 -2.644 118 HD13 LEU 15 3HD1 LEU 15 -8.819 13.089 -1.117 119 HD21 LEU 15 3HD2 LEU 15 -7.188 10.130 -2.761 120 HD22 LEU 15 1HD2 LEU 15 -8.045 10.640 -1.325 121 HD23 LEU 15 2HD2 LEU 15 -8.936 10.476 -2.858 122 HA PRO 16 HA PRO 16 -8.379 13.813 -9.024 123 HB2 PRO 16 1HB PRO 16 -9.272 16.362 -8.591 124 HB3 PRO 16 2HB PRO 16 -10.373 14.978 -8.713 125 HG2 PRO 16 1HG PRO 16 -9.252 16.266 -6.198 126 HG3 PRO 16 2HG PRO 16 -10.970 15.873 -6.549 127 HD2 PRO 16 1HD PRO 16 -9.382 14.282 -5.073 128 HD3 PRO 16 2HD PRO 16 -10.595 13.579 -6.165 129 H ASN 17 H ASN 17 -6.548 14.870 -9.811 130 HA ASN 17 HA ASN 17 -4.460 15.790 -9.783 131 HB2 ASN 17 1HB ASN 17 -4.458 18.165 -8.813 132 HB3 ASN 17 2HB ASN 17 -5.494 17.746 -10.151 133 HD21 ASN 17 1HD2 ASN 17 -5.510 18.457 -6.650 134 HD22 ASN 17 2HD2 ASN 17 -7.210 18.823 -6.588 135 H ALA 18 H ALA 18 -4.920 13.931 -7.462 136 HA ALA 18 HA ALA 18 -3.472 14.519 -5.191 137 HB1 ALA 18 1HB ALA 18 -2.979 12.111 -5.130 138 HB2 ALA 18 2HB ALA 18 -4.624 12.374 -5.711 139 HB3 ALA 18 3HB ALA 18 -3.352 11.973 -6.874 140 H SER 19 H SER 19 -1.204 14.263 -4.523 141 HA SER 19 HA SER 19 0.802 14.257 -6.655 142 HB2 SER 19 1HB SER 19 1.781 16.353 -5.649 143 HB3 SER 19 2HB SER 19 0.377 16.566 -6.695 144 HG SER 19 HG SER 19 -0.317 16.313 -4.048 145 H PHE 20 H PHE 20 2.556 13.183 -5.910 146 HA PHE 20 HA PHE 20 2.539 12.041 -3.297 147 HB2 PHE 20 1HB PHE 20 3.683 11.041 -5.288 148 HB3 PHE 20 2HB PHE 20 4.767 12.398 -5.339 149 HD1 PHE 20 1HD PHE 20 3.714 10.366 -2.302 150 HD2 PHE 20 2HD PHE 20 6.861 11.508 -5.033 151 HE1 PHE 20 1HE PHE 20 5.401 9.342 -0.815 152 HE2 PHE 20 2HE PHE 20 8.518 10.515 -3.535 153 HZ PHE 20 HZ PHE 20 7.795 9.418 -1.399 154 H ASP 21 H ASP 21 4.457 12.461 -1.719 155 HA ASP 21 HA ASP 21 5.287 15.211 -1.507 156 HB2 ASP 21 1HB ASP 21 3.163 15.494 -0.442 157 HB3 ASP 21 2HB ASP 21 3.196 13.863 0.236 158 H ASN 22 H ASN 22 7.032 15.211 0.080 159 HA ASN 22 HA ASN 22 8.854 13.259 -0.248 160 HB2 ASN 22 1HB ASN 22 8.537 15.602 1.566 161 HB3 ASN 22 2HB ASN 22 9.696 14.402 2.138 162 HD21 ASN 22 1HD2 ASN 22 11.323 13.550 0.304 163 HD22 ASN 22 2HD2 ASN 22 12.104 14.905 -0.381 164 H PHE 23 H PHE 23 6.234 12.401 1.581 165 HA PHE 23 HA PHE 23 7.375 11.393 4.005 166 HB2 PHE 23 1HB PHE 23 5.319 10.257 4.360 167 HB3 PHE 23 2HB PHE 23 4.933 11.831 3.697 168 HD1 PHE 23 1HD PHE 23 5.043 8.152 2.936 169 HD2 PHE 23 2HD PHE 23 3.724 12.060 1.648 170 HE1 PHE 23 1HE PHE 23 3.652 7.122 1.177 171 HE2 PHE 23 2HE PHE 23 2.263 11.000 -0.053 172 HZ PHE 23 HZ PHE 23 2.258 8.503 -0.291 173 H LYS 24 H LYS 24 7.900 9.276 4.534 174 HA LYS 24 HA LYS 24 8.397 7.450 2.205 175 HB2 LYS 24 1HB LYS 24 10.413 8.572 3.041 176 HB3 LYS 24 2HB LYS 24 10.175 7.811 4.620 177 HG2 LYS 24 1HG LYS 24 10.178 5.596 3.048 178 HG3 LYS 24 2HG LYS 24 10.914 6.651 1.920 179 HD2 LYS 24 1HD LYS 24 12.665 5.513 3.123 180 HD3 LYS 24 2HD LYS 24 12.602 7.142 3.899 181 HE2 LYS 24 1HE LYS 24 11.962 6.315 5.763 182 HE3 LYS 24 2HE LYS 24 10.526 5.525 5.000 183 HZ1 LYS 24 3HZ LYS 24 13.235 4.276 5.122 184 HZ2 LYS 24 1HZ LYS 24 12.086 3.967 6.206 185 HZ3 LYS 24 2HZ LYS 24 11.820 3.575 4.632 186 H LEU 25 H LEU 25 8.253 5.369 2.512 187 HA LEU 25 HA LEU 25 6.515 4.442 4.714 188 HB2 LEU 25 1HB LEU 25 7.438 2.963 2.217 189 HB3 LEU 25 2HB LEU 25 6.152 2.485 3.327 190 HG LEU 25 HG LEU 25 6.160 4.949 1.488 191 HD11 LEU 25 1HD1 LEU 25 4.485 2.422 1.555 192 HD12 LEU 25 2HD1 LEU 25 4.220 3.819 0.485 193 HD13 LEU 25 3HD1 LEU 25 5.717 2.883 0.358 194 HD21 LEU 25 3HD2 LEU 25 4.255 4.185 3.699 195 HD22 LEU 25 1HD2 LEU 25 5.196 5.684 3.506 196 HD23 LEU 25 2HD2 LEU 25 3.855 5.323 2.400 197 H THR 26 H THR 26 7.120 2.930 6.264 198 HA THR 26 HA THR 26 9.920 1.991 6.263 199 HB THR 26 HB THR 26 10.087 2.479 8.587 200 HG1 THR 26 1HG THR 26 8.520 3.379 9.774 201 HG21 THR 26 3HG2 THR 26 10.505 4.416 7.108 202 HG22 THR 26 1HG2 THR 26 8.831 4.967 7.336 203 HG23 THR 26 2HG2 THR 26 9.961 4.902 8.699 204 H CYS 27 H CYS 27 10.225 -0.119 7.244 205 HA CYS 27 HA CYS 27 8.213 -1.432 8.757 206 HB2 CYS 27 1HB CYS 27 7.187 -1.619 6.463 207 HB3 CYS 27 2HB CYS 27 8.567 -2.506 5.951 208 HG CYS 27 HG CYS 27 8.167 -4.372 8.058 209 H SER 28 H SER 28 8.935 -3.513 9.400 210 HA SER 28 HA SER 28 11.616 -4.100 9.952 211 HB2 SER 28 1HB SER 28 10.606 -6.453 10.053 212 HB3 SER 28 2HB SER 28 9.808 -5.208 11.048 213 HG SER 28 HG SER 28 8.165 -6.201 9.988 214 H ASN 29 H ASN 29 9.637 -5.648 7.365 215 HA ASN 29 HA ASN 29 11.864 -6.423 5.825 216 HB2 ASN 29 1HB ASN 29 8.925 -6.633 5.827 217 HB3 ASN 29 2HB ASN 29 9.533 -6.278 4.216 218 HD21 ASN 29 1HD2 ASN 29 9.697 -8.208 3.080 219 HD22 ASN 29 2HD2 ASN 29 10.835 -9.355 3.740 220 H THR 30 H THR 30 13.280 -4.760 5.254 221 HA THR 30 HA THR 30 12.425 -2.195 4.476 222 HB THR 30 HB THR 30 14.731 -2.083 3.390 223 HG1 THR 30 1HG THR 30 16.034 -3.779 3.635 224 HG21 THR 30 3HG2 THR 30 14.578 -2.967 6.310 225 HG22 THR 30 1HG2 THR 30 15.894 -2.036 5.548 226 HG23 THR 30 2HG2 THR 30 14.280 -1.327 5.701 227 H LYS 31 H LYS 31 13.392 -4.968 2.409 228 HA LYS 31 HA LYS 31 13.269 -3.833 -0.044 229 HB2 LYS 31 1HB LYS 31 13.878 -6.157 0.124 230 HB3 LYS 31 2HB LYS 31 12.256 -6.581 0.689 231 HG2 LYS 31 1HG LYS 31 12.532 -7.283 -1.635 232 HG3 LYS 31 2HG LYS 31 11.281 -6.062 -1.550 233 HD2 LYS 31 1HD LYS 31 12.534 -5.479 -3.452 234 HD3 LYS 31 2HD LYS 31 13.069 -4.354 -2.235 235 HE2 LYS 31 1HE LYS 31 15.046 -5.020 -3.271 236 HE3 LYS 31 2HE LYS 31 15.032 -5.976 -1.779 237 HZ1 LYS 31 3HZ LYS 31 14.282 -6.921 -4.496 238 HZ2 LYS 31 1HZ LYS 31 15.616 -7.314 -3.639 239 HZ3 LYS 31 2HZ LYS 31 14.177 -7.861 -3.130 240 H PHE 32 H PHE 32 10.296 -5.178 1.550 241 HA PHE 32 HA PHE 32 8.588 -4.439 -0.574 242 HB2 PHE 32 1HB PHE 32 7.946 -5.840 1.425 243 HB3 PHE 32 2HB PHE 32 7.977 -4.348 2.364 244 HD1 PHE 32 2HD PHE 32 6.598 -5.217 -1.006 245 HD2 PHE 32 1HD PHE 32 5.653 -3.958 3.000 246 HE1 PHE 32 2HE PHE 32 4.257 -4.991 -1.622 247 HE2 PHE 32 1HE PHE 32 3.294 -3.716 2.367 248 HZ PHE 32 HZ PHE 32 2.559 -4.256 0.042 249 H ALA 33 H ALA 33 9.333 -2.483 2.431 250 HA ALA 33 HA ALA 33 7.711 -0.267 1.625 251 HB1 ALA 33 1HB ALA 33 8.428 -0.626 3.940 252 HB2 ALA 33 2HB ALA 33 10.138 -0.370 3.474 253 HB3 ALA 33 3HB ALA 33 8.961 0.955 3.361 254 H ASP 34 H ASP 34 11.031 -1.164 1.039 255 HA ASP 34 HA ASP 34 12.146 1.306 0.087 256 HB2 ASP 34 1HB ASP 34 13.455 -0.522 1.084 257 HB3 ASP 34 2HB ASP 34 12.934 -1.638 -0.185 258 H ASP 35 H ASP 35 10.699 -1.527 -1.563 259 HA ASP 35 HA ASP 35 11.182 -0.481 -4.233 260 HB2 ASP 35 1HB ASP 35 10.953 -2.933 -3.493 261 HB3 ASP 35 2HB ASP 35 9.220 -2.617 -3.606 262 H LEU 36 H LEU 36 8.434 -0.577 -1.962 263 HA LEU 36 HA LEU 36 6.557 0.714 -3.715 264 HB2 LEU 36 1HB LEU 36 6.803 0.812 -0.677 265 HB3 LEU 36 2HB LEU 36 5.475 1.524 -1.580 266 HG LEU 36 HG LEU 36 6.131 -1.443 -1.453 267 HD11 LEU 36 1HD1 LEU 36 5.151 -0.525 0.612 268 HD12 LEU 36 2HD1 LEU 36 3.825 0.195 -0.323 269 HD13 LEU 36 3HD1 LEU 36 3.990 -1.569 -0.224 270 HD21 LEU 36 3HD2 LEU 36 4.002 -1.764 -2.644 271 HD22 LEU 36 1HD2 LEU 36 3.924 -0.006 -2.946 272 HD23 LEU 36 2HD2 LEU 36 5.236 -0.998 -3.640 273 H ASN 37 H ASN 37 8.991 2.077 -1.436 274 HA ASN 37 HA ASN 37 8.371 4.807 -1.856 275 HB2 ASN 37 1HB ASN 37 10.842 3.276 -0.976 276 HB3 ASN 37 2HB ASN 37 10.919 4.971 -1.244 277 HD21 ASN 37 1HD2 ASN 37 10.384 2.744 1.077 278 HD22 ASN 37 2HD2 ASN 37 9.668 3.738 2.325 279 H GLN 38 H GLN 38 10.260 2.518 -3.842 280 HA GLN 38 HA GLN 38 11.586 4.446 -5.508 281 HB2 GLN 38 1HB GLN 38 11.264 1.519 -5.201 282 HB3 GLN 38 2HB GLN 38 11.275 1.989 -6.877 283 HG2 GLN 38 1HG GLN 38 13.370 3.131 -5.043 284 HG3 GLN 38 2HG GLN 38 13.453 1.429 -5.431 285 HE21 GLN 38 1HE2 GLN 38 13.979 0.736 -7.582 286 HE22 GLN 38 2HE2 GLN 38 14.603 1.872 -8.760 287 H MET 39 H MET 39 8.568 2.531 -5.691 288 HA MET 39 HA MET 39 7.882 3.211 -8.340 289 HB2 MET 39 1HB MET 39 6.192 2.397 -5.938 290 HB3 MET 39 2HB MET 39 5.573 2.517 -7.589 291 HG2 MET 39 1HG MET 39 6.896 0.743 -8.373 292 HG3 MET 39 2HG MET 39 7.983 0.823 -6.998 293 HE1 MET 39 3HE MET 39 3.663 -0.658 -6.674 294 HE2 MET 39 1HE MET 39 4.130 0.466 -5.383 295 HE3 MET 39 2HE MET 39 4.196 0.988 -7.072 296 H THR 40 H THR 40 7.659 5.208 -5.490 297 HA THR 40 HA THR 40 5.682 6.975 -6.837 298 HB THR 40 HB THR 40 4.983 6.068 -4.741 299 HG1 THR 40 1HG THR 40 5.522 8.809 -4.518 300 HG21 THR 40 3HG2 THR 40 7.058 5.657 -3.593 301 HG22 THR 40 1HG2 THR 40 7.400 7.398 -3.469 302 HG23 THR 40 2HG2 THR 40 6.033 6.665 -2.591 303 H GLY 41 H GLY 41 9.081 6.922 -5.823 304 HA2 GLY 41 1HA GLY 41 10.407 8.556 -7.081 305 HA3 GLY 41 2HA GLY 41 9.242 9.796 -6.693 306 H PHE 42 H PHE 42 9.863 7.746 -3.983 307 HA PHE 42 HA PHE 42 10.316 9.940 -2.396 308 HB2 PHE 42 1HB PHE 42 9.580 7.945 -1.354 309 HB3 PHE 42 2HB PHE 42 10.951 7.034 -1.986 310 HD1 PHE 42 2HD PHE 42 10.517 10.224 0.067 311 HD2 PHE 42 1HD PHE 42 12.493 6.396 -0.346 312 HE1 PHE 42 2HE PHE 42 12.001 10.788 1.891 313 HE2 PHE 42 1HE PHE 42 13.758 6.869 1.736 314 HZ PHE 42 HZ PHE 42 13.659 9.106 2.753 315 H THR 43 H THR 43 11.923 11.299 -1.928 316 HA THR 43 HA THR 43 14.686 10.296 -1.858 317 HB THR 43 HB THR 43 13.791 12.977 -2.988 318 HG1 THR 43 1HG THR 43 13.246 11.288 -4.386 319 HG21 THR 43 3HG2 THR 43 16.482 11.550 -2.949 320 HG22 THR 43 1HG2 THR 43 16.140 13.073 -3.800 321 HG23 THR 43 2HG2 THR 43 16.045 13.010 -2.038 322 H LYS 44 H LYS 44 15.705 10.956 -0.019 323 HA LYS 44 HA LYS 44 14.200 12.132 2.120 324 HB2 LYS 44 1HB LYS 44 16.968 11.106 1.584 325 HB3 LYS 44 2HB LYS 44 16.934 12.378 2.762 326 HG2 LYS 44 1HG LYS 44 14.901 10.749 3.701 327 HG3 LYS 44 2HG LYS 44 15.982 9.571 2.929 328 HD2 LYS 44 1HD LYS 44 17.879 10.697 4.205 329 HD3 LYS 44 2HD LYS 44 16.666 11.663 5.053 330 HE2 LYS 44 1HE LYS 44 16.308 8.685 5.116 331 HE3 LYS 44 2HE LYS 44 17.724 9.324 5.956 332 HZ1 LYS 44 3HZ LYS 44 16.008 9.256 7.493 333 HZ2 LYS 44 1HZ LYS 44 16.173 10.859 7.126 334 HZ3 LYS 44 2HZ LYS 44 14.921 10.005 6.514 335 HA PRO 45 HA PRO 45 15.370 13.133 4.083 336 HB2 PRO 45 1HB PRO 45 14.093 15.664 4.919 337 HB3 PRO 45 2HB PRO 45 15.379 14.765 5.782 338 HG2 PRO 45 1HG PRO 45 15.971 17.058 4.476 339 HG3 PRO 45 2HG PRO 45 17.059 15.635 4.311 340 HD2 PRO 45 1HD PRO 45 14.852 16.542 2.428 341 HD3 PRO 45 2HD PRO 45 16.546 16.107 2.035 342 H ALA 46 H ALA 46 13.549 11.885 4.729 343 HA ALA 46 HA ALA 46 11.174 12.514 3.303 344 HB1 ALA 46 1HB ALA 46 11.945 10.151 4.019 345 HB2 ALA 46 2HB ALA 46 11.189 10.511 5.588 346 HB3 ALA 46 3HB ALA 46 10.227 10.557 4.096 347 H SER 47 H SER 47 9.559 14.061 4.155 348 HA SER 47 HA SER 47 10.213 15.379 6.562 349 HB2 SER 47 1HB SER 47 7.401 15.720 5.767 350 HB3 SER 47 2HB SER 47 8.709 16.899 5.947 351 HG SER 47 HG SER 47 8.791 16.966 3.897 352 H ARG 48 H ARG 48 7.894 12.757 5.886 353 HA ARG 48 HA ARG 48 7.717 12.211 8.763 354 HB2 ARG 48 1HB ARG 48 5.258 11.756 8.502 355 HB3 ARG 48 2HB ARG 48 5.717 13.443 8.518 356 HG2 ARG 48 1HG ARG 48 4.845 13.841 6.492 357 HG3 ARG 48 2HG ARG 48 5.627 12.438 5.776 358 HD2 ARG 48 1HD ARG 48 3.140 12.441 5.560 359 HD3 ARG 48 2HD ARG 48 3.856 10.992 6.266 360 HE ARG 48 HE ARG 48 2.805 11.310 8.195 361 HH11 ARG 48 2HH2 ARG 48 2.333 14.353 6.346 362 HH12 ARG 48 1HH2 ARG 48 1.426 15.127 7.580 363 HH21 ARG 48 2HH1 ARG 48 1.169 12.166 9.562 364 HH22 ARG 48 1HH1 ARG 48 0.971 13.875 9.656 365 H GLU 49 H GLU 49 6.689 9.995 9.078 366 HA GLU 49 HA GLU 49 7.626 8.109 6.995 367 HB2 GLU 49 1HB GLU 49 8.525 8.459 9.858 368 HB3 GLU 49 2HB GLU 49 8.554 6.853 9.115 369 HG2 GLU 49 1HG GLU 49 10.013 7.578 7.331 370 HG3 GLU 49 2HG GLU 49 9.936 9.256 7.849 371 H LEU 50 H LEU 50 6.348 6.262 6.822 372 HA LEU 50 HA LEU 50 4.051 5.921 8.699 373 HB2 LEU 50 1HB LEU 50 4.083 5.787 5.669 374 HB3 LEU 50 2HB LEU 50 2.714 5.334 6.670 375 HG LEU 50 HG LEU 50 3.893 8.125 6.739 376 HD11 LEU 50 1HD1 LEU 50 1.646 7.070 4.953 377 HD12 LEU 50 2HD1 LEU 50 2.102 8.777 5.138 378 HD13 LEU 50 3HD1 LEU 50 3.230 7.629 4.416 379 HD21 LEU 50 3HD2 LEU 50 1.719 8.755 7.599 380 HD22 LEU 50 1HD2 LEU 50 1.116 7.092 7.433 381 HD23 LEU 50 2HD2 LEU 50 2.389 7.468 8.616 382 H SER 51 H SER 51 3.978 3.916 9.459 383 HA SER 51 HA SER 51 5.827 1.944 8.333 384 HB2 SER 51 1HB SER 51 5.542 0.783 10.414 385 HB3 SER 51 2HB SER 51 5.927 2.500 10.660 386 HG SER 51 HG SER 51 4.313 1.549 12.007 387 H VAL 52 H VAL 52 5.305 -0.392 8.095 388 HA VAL 52 HA VAL 52 2.500 -0.816 7.205 389 HB VAL 52 HB VAL 52 5.143 -2.045 6.428 390 HG11 VAL 52 1HG1 VAL 52 2.355 -2.698 5.376 391 HG12 VAL 52 2HG1 VAL 52 3.881 -3.210 4.600 392 HG13 VAL 52 3HG1 VAL 52 3.475 -3.812 6.199 393 HG21 VAL 52 3HG2 VAL 52 3.264 -0.197 4.967 394 HG22 VAL 52 1HG2 VAL 52 4.928 0.150 5.466 395 HG23 VAL 52 2HG2 VAL 52 4.630 -1.016 4.180 396 H THR 53 H THR 53 1.410 -2.695 7.847 397 HA THR 53 HA THR 53 2.701 -4.772 9.555 398 HB THR 53 HB THR 53 0.568 -4.754 10.818 399 HG1 THR 53 1HG THR 53 -0.519 -3.193 9.544 400 HG21 THR 53 3HG2 THR 53 2.807 -4.009 11.727 401 HG22 THR 53 1HG2 THR 53 2.405 -2.349 11.267 402 HG23 THR 53 2HG2 THR 53 1.459 -3.197 12.498 403 H PHE 54 H PHE 54 2.036 -6.771 9.080 404 HA PHE 54 HA PHE 54 0.520 -7.075 6.542 405 HB2 PHE 54 1HB PHE 54 2.627 -8.770 7.954 406 HB3 PHE 54 2HB PHE 54 1.813 -9.234 6.470 407 HD1 PHE 54 2HD PHE 54 1.901 -7.442 4.544 408 HD2 PHE 54 1HD PHE 54 4.732 -7.624 7.795 409 HE1 PHE 54 2HE PHE 54 3.648 -6.411 3.098 410 HE2 PHE 54 1HE PHE 54 6.472 -6.659 6.329 411 HZ PHE 54 HZ PHE 54 5.938 -6.103 3.953 412 H PHE 55 H PHE 55 -1.571 -7.881 6.805 413 HA PHE 55 HA PHE 55 -2.548 -8.449 9.213 414 HB2 PHE 55 1HB PHE 55 -3.553 -8.485 6.591 415 HB3 PHE 55 2HB PHE 55 -3.998 -10.035 7.258 416 HD1 PHE 55 1HD PHE 55 -4.142 -6.332 8.027 417 HD2 PHE 55 2HD PHE 55 -5.914 -10.222 8.646 418 HE1 PHE 55 1HE PHE 55 -6.075 -5.283 9.131 419 HE2 PHE 55 2HE PHE 55 -7.827 -9.151 9.783 420 HZ PHE 55 HZ PHE 55 -7.926 -6.686 10.024 421 HA PRO 56 HA PRO 56 -3.896 -9.583 10.486 422 HB2 PRO 56 1HB PRO 56 -4.021 -11.071 12.779 423 HB3 PRO 56 2HB PRO 56 -4.930 -11.511 11.304 424 HG2 PRO 56 1HG PRO 56 -2.343 -12.683 12.330 425 HG3 PRO 56 2HG PRO 56 -3.735 -13.516 11.580 426 HD2 PRO 56 1HD PRO 56 -1.383 -12.701 10.265 427 HD3 PRO 56 2HD PRO 56 -2.908 -13.100 9.446 428 H ASP 57 H ASP 57 -2.632 -7.813 10.798 429 HA ASP 57 HA ASP 57 -1.284 -7.296 13.220 430 HB2 ASP 57 1HB ASP 57 0.656 -8.323 11.749 431 HB3 ASP 57 2HB ASP 57 0.319 -7.024 10.641 432 H LEU 58 H LEU 58 -2.159 -5.167 13.448 433 HA LEU 58 HA LEU 58 -2.434 -3.440 11.098 434 HB2 LEU 58 1HB LEU 58 -4.840 -3.059 11.665 435 HB3 LEU 58 2HB LEU 58 -4.476 -4.567 10.860 436 HG LEU 58 HG LEU 58 -4.632 -4.600 13.883 437 HD11 LEU 58 1HD1 LEU 58 -6.568 -3.317 13.183 438 HD12 LEU 58 2HD1 LEU 58 -7.029 -4.585 12.019 439 HD13 LEU 58 3HD1 LEU 58 -7.044 -4.921 13.771 440 HD21 LEU 58 3HD2 LEU 58 -4.068 -6.748 12.933 441 HD22 LEU 58 1HD2 LEU 58 -5.771 -6.836 13.326 442 HD23 LEU 58 2HD2 LEU 58 -5.277 -6.586 11.644 443 H ASN 59 H ASN 59 -0.584 -3.111 12.944 444 HA ASN 59 HA ASN 59 -1.534 -1.043 14.848 445 HB2 ASN 59 1HB ASN 59 1.071 -2.634 14.749 446 HB3 ASN 59 2HB ASN 59 0.574 -1.493 15.974 447 HD21 ASN 59 1HD2 ASN 59 0.046 -4.728 14.649 448 HD22 ASN 59 2HD2 ASN 59 -0.852 -5.320 16.054 449 H GLY 60 H GLY 60 0.086 -1.566 11.877 450 HA2 GLY 60 1HA GLY 60 1.895 0.724 11.962 451 HA3 GLY 60 2HA GLY 60 1.493 -0.284 10.557 452 H ASP 61 H ASP 61 1.727 2.482 10.402 453 HA ASP 61 HA ASP 61 -0.843 3.778 10.696 454 HB2 ASP 61 1HB ASP 61 1.797 4.611 9.604 455 HB3 ASP 61 2HB ASP 61 0.397 5.382 8.874 456 H VAL 62 H VAL 62 0.709 1.929 8.182 457 HA VAL 62 HA VAL 62 -1.784 1.991 6.611 458 HB VAL 62 HB VAL 62 0.989 1.632 5.452 459 HG11 VAL 62 1HG1 VAL 62 0.080 1.782 3.285 460 HG12 VAL 62 2HG1 VAL 62 -1.078 0.763 4.127 461 HG13 VAL 62 3HG1 VAL 62 -1.422 2.475 3.808 462 HG21 VAL 62 3HG2 VAL 62 0.779 3.926 4.434 463 HG22 VAL 62 1HG2 VAL 62 -0.669 4.196 5.444 464 HG23 VAL 62 2HG2 VAL 62 0.928 3.958 6.187 465 H VAL 63 H VAL 63 -2.303 -0.169 5.825 466 HA VAL 63 HA VAL 63 -0.812 -2.317 7.265 467 HB VAL 63 HB VAL 63 -3.825 -2.152 6.916 468 HG11 VAL 63 1HG1 VAL 63 -2.065 -3.809 8.786 469 HG12 VAL 63 2HG1 VAL 63 -3.840 -3.832 8.743 470 HG13 VAL 63 3HG1 VAL 63 -2.910 -4.449 7.387 471 HG21 VAL 63 3HG2 VAL 63 -3.931 -1.592 9.353 472 HG22 VAL 63 1HG2 VAL 63 -2.175 -1.296 9.330 473 HG23 VAL 63 2HG2 VAL 63 -3.273 -0.287 8.372 474 H ALA 64 H ALA 64 -1.493 -4.552 6.165 475 HA ALA 64 HA ALA 64 -1.707 -4.276 3.222 476 HB1 ALA 64 1HB ALA 64 0.364 -5.877 4.757 477 HB2 ALA 64 2HB ALA 64 0.133 -5.879 2.992 478 HB3 ALA 64 3HB ALA 64 0.699 -4.417 3.826 479 H ILE 65 H ILE 65 -2.750 -5.932 2.231 480 HA ILE 65 HA ILE 65 -3.874 -8.094 3.874 481 HB ILE 65 HB ILE 65 -5.056 -6.651 1.481 482 HG12 ILE 65 1HG1 ILE 65 -5.298 -5.452 3.607 483 HG13 ILE 65 2HG1 ILE 65 -6.818 -5.899 2.916 484 HG21 ILE 65 1HG2 ILE 65 -6.099 -9.127 2.938 485 HG22 ILE 65 2HG2 ILE 65 -7.088 -8.109 1.867 486 HG23 ILE 65 3HG2 ILE 65 -5.690 -8.952 1.225 487 HD11 ILE 65 3HD1 ILE 65 -6.704 -6.209 5.420 488 HD12 ILE 65 1HD1 ILE 65 -7.091 -7.716 4.589 489 HD13 ILE 65 2HD1 ILE 65 -5.448 -7.415 5.214 490 H ASP 66 H ASP 66 -3.696 -10.156 2.848 491 HA ASP 66 HA ASP 66 -1.404 -10.412 1.060 492 HB2 ASP 66 1HB ASP 66 -1.793 -11.971 2.805 493 HB3 ASP 66 2HB ASP 66 -3.398 -12.379 2.232 494 H TYR 67 H TYR 67 -1.459 -11.083 -1.049 495 HA TYR 67 HA TYR 67 -3.289 -10.164 -2.892 496 HB2 TYR 67 1HB TYR 67 -1.099 -10.789 -3.531 497 HB3 TYR 67 2HB TYR 67 -1.223 -12.377 -2.814 498 HD1 TYR 67 2HD TYR 67 -2.697 -14.166 -3.883 499 HD2 TYR 67 1HD TYR 67 -1.565 -10.490 -5.856 500 HE1 TYR 67 2HE TYR 67 -3.433 -15.108 -6.023 501 HE2 TYR 67 1HE TYR 67 -2.312 -11.458 -8.043 502 HH TYR 67 HH TYR 67 -4.351 -13.411 -8.513 503 H ARG 68 H ARG 68 -3.762 -13.013 -0.930 504 HA ARG 68 HA ARG 68 -5.540 -14.573 -2.310 505 HB2 ARG 68 1HB ARG 68 -6.413 -15.216 -0.141 506 HB3 ARG 68 2HB ARG 68 -4.667 -15.024 -0.054 507 HG2 ARG 68 1HG ARG 68 -5.149 -12.720 0.987 508 HG3 ARG 68 2HG ARG 68 -6.833 -13.213 1.088 509 HD2 ARG 68 1HD ARG 68 -6.241 -15.146 2.493 510 HD3 ARG 68 2HD ARG 68 -4.514 -14.763 2.305 511 HE ARG 68 HE ARG 68 -5.572 -12.464 3.352 512 HH11 ARG 68 2HH2 ARG 68 -5.192 -15.824 4.545 513 HH12 ARG 68 1HH2 ARG 68 -5.367 -15.351 6.197 514 HH21 ARG 68 2HH1 ARG 68 -5.504 -11.901 5.483 515 HH22 ARG 68 1HH1 ARG 68 -5.537 -13.066 6.764 516 H HIS 69 H HIS 69 -6.208 -11.297 -1.482 517 HA HIS 69 HA HIS 69 -9.096 -11.689 -2.171 518 HB2 HIS 69 1HB HIS 69 -7.837 -9.977 -0.006 519 HB3 HIS 69 2HB HIS 69 -9.429 -9.608 -0.639 520 HD1 HIS 69 1HD HIS 69 -9.296 -13.295 -0.547 521 HD2 HIS 69 2HD HIS 69 -9.805 -10.119 2.180 522 HE1 HIS 69 1HE HIS 69 -10.432 -14.287 1.506 523 H TYR 70 H TYR 70 -6.510 -10.856 -3.764 524 HA TYR 70 HA TYR 70 -6.997 -8.145 -4.587 525 HB2 TYR 70 1HB TYR 70 -4.794 -9.162 -4.719 526 HB3 TYR 70 2HB TYR 70 -5.383 -10.370 -5.842 527 HD1 TYR 70 1HD TYR 70 -6.838 -7.148 -6.710 528 HD2 TYR 70 2HD TYR 70 -3.269 -9.538 -6.982 529 HE1 TYR 70 1HE TYR 70 -6.038 -5.769 -8.601 530 HE2 TYR 70 2HE TYR 70 -2.500 -8.219 -8.922 531 HH TYR 70 HH TYR 70 -3.000 -6.494 -10.355 532 H SER 71 H SER 71 -9.391 -8.712 -4.762 533 HA SER 71 HA SER 71 -10.205 -9.953 -7.216 534 HB2 SER 71 1HB SER 71 -11.354 -9.850 -4.821 535 HB3 SER 71 2HB SER 71 -11.912 -8.272 -5.302 536 HG SER 71 HG SER 71 -12.430 -10.317 -7.141 537 H ALA 72 H ALA 72 -11.261 -8.980 -8.939 538 HA ALA 72 HA ALA 72 -10.193 -6.544 -9.886 539 HB1 ALA 72 1HB ALA 72 -11.607 -6.983 -11.795 540 HB2 ALA 72 2HB ALA 72 -10.938 -8.510 -11.206 541 HB3 ALA 72 3HB ALA 72 -12.630 -8.090 -10.849 542 H SER 73 H SER 73 -12.881 -6.782 -7.659 543 HA SER 73 HA SER 73 -14.217 -4.359 -8.337 544 HB2 SER 73 1HB SER 73 -13.617 -5.287 -5.519 545 HB3 SER 73 2HB SER 73 -15.059 -4.461 -6.128 546 HG SER 73 HG SER 73 -15.518 -6.623 -5.808 547 H PHE 74 H PHE 74 -11.221 -5.153 -6.607 548 HA PHE 74 HA PHE 74 -10.758 -2.437 -5.650 549 HB2 PHE 74 1HB PHE 74 -8.996 -4.903 -5.545 550 HB3 PHE 74 2HB PHE 74 -8.916 -3.495 -4.526 551 HD1 PHE 74 1HD PHE 74 -11.610 -3.021 -3.507 552 HD2 PHE 74 2HD PHE 74 -9.659 -6.784 -4.300 553 HE1 PHE 74 1HE PHE 74 -13.020 -4.142 -1.796 554 HE2 PHE 74 2HE PHE 74 -11.160 -7.895 -2.656 555 HZ PHE 74 HZ PHE 74 -12.827 -6.564 -1.402 556 H LYS 75 H LYS 75 -10.804 -2.906 -8.688 557 HA LYS 75 HA LYS 75 -8.189 -3.346 -9.638 558 HB2 LYS 75 1HB LYS 75 -9.636 -3.858 -11.290 559 HB3 LYS 75 2HB LYS 75 -10.890 -2.858 -10.621 560 HG2 LYS 75 1HG LYS 75 -10.725 -1.769 -12.525 561 HG3 LYS 75 2HG LYS 75 -9.535 -0.854 -11.667 562 HD2 LYS 75 1HD LYS 75 -9.181 -3.114 -13.659 563 HD3 LYS 75 2HD LYS 75 -8.712 -1.431 -13.904 564 HE2 LYS 75 1HE LYS 75 -6.841 -1.652 -12.401 565 HE3 LYS 75 2HE LYS 75 -7.428 -3.208 -11.801 566 HZ1 LYS 75 3HZ LYS 75 -5.678 -3.563 -13.326 567 HZ2 LYS 75 1HZ LYS 75 -7.063 -4.157 -13.973 568 HZ3 LYS 75 2HZ LYS 75 -6.459 -2.735 -14.541 569 H LYS 76 H LYS 76 -9.903 -0.389 -8.784 570 HA LYS 76 HA LYS 76 -7.583 1.254 -9.628 571 HB2 LYS 76 1HB LYS 76 -10.425 2.011 -8.958 572 HB3 LYS 76 2HB LYS 76 -9.127 3.141 -9.396 573 HG2 LYS 76 1HG LYS 76 -8.859 1.613 -11.530 574 HG3 LYS 76 2HG LYS 76 -10.480 1.040 -11.091 575 HD2 LYS 76 1HD LYS 76 -11.289 3.380 -11.151 576 HD3 LYS 76 2HD LYS 76 -9.700 3.921 -11.657 577 HE2 LYS 76 1HE LYS 76 -10.489 3.685 -13.758 578 HE3 LYS 76 2HE LYS 76 -10.151 1.956 -13.518 579 HZ1 LYS 76 3HZ LYS 76 -12.472 1.705 -12.822 580 HZ2 LYS 76 1HZ LYS 76 -12.736 3.319 -13.054 581 HZ3 LYS 76 2HZ LYS 76 -12.399 2.347 -14.337 582 H GLY 77 H GLY 77 -8.052 -0.465 -6.953 583 HA2 GLY 77 1HA GLY 77 -6.465 0.020 -5.163 584 HA3 GLY 77 2HA GLY 77 -7.119 1.662 -5.090 585 H ALA 78 H ALA 78 -7.107 0.191 -2.752 586 HA ALA 78 HA ALA 78 -9.905 0.065 -2.109 587 HB1 ALA 78 1HB ALA 78 -9.804 -2.248 -1.189 588 HB2 ALA 78 2HB ALA 78 -9.570 -2.223 -2.929 589 HB3 ALA 78 3HB ALA 78 -8.173 -2.449 -1.861 590 H LYS 79 H LYS 79 -10.029 -0.559 0.315 591 HA LYS 79 HA LYS 79 -7.722 0.020 1.991 592 HB2 LYS 79 1HB LYS 79 -9.070 1.862 3.148 593 HB3 LYS 79 2HB LYS 79 -8.300 2.292 1.625 594 HG2 LYS 79 1HG LYS 79 -10.276 2.446 0.462 595 HG3 LYS 79 2HG LYS 79 -11.059 1.207 1.366 596 HD2 LYS 79 1HD LYS 79 -10.951 3.011 3.313 597 HD3 LYS 79 2HD LYS 79 -10.917 4.132 1.955 598 HE2 LYS 79 1HE LYS 79 -13.095 3.717 1.429 599 HE3 LYS 79 2HE LYS 79 -12.912 1.964 1.557 600 HZ1 LYS 79 3HZ LYS 79 -13.276 2.077 3.873 601 HZ2 LYS 79 1HZ LYS 79 -13.088 3.685 3.943 602 HZ3 LYS 79 2HZ LYS 79 -14.424 3.082 3.181 603 H LEU 80 H LEU 80 -8.794 0.016 4.448 604 HA LEU 80 HA LEU 80 -10.669 -2.285 4.543 605 HB2 LEU 80 1HB LEU 80 -8.105 -2.155 5.500 606 HB3 LEU 80 2HB LEU 80 -8.930 -1.393 6.848 607 HG LEU 80 HG LEU 80 -10.449 -3.547 6.836 608 HD11 LEU 80 1HD1 LEU 80 -9.265 -5.551 5.913 609 HD12 LEU 80 2HD1 LEU 80 -9.792 -4.438 4.645 610 HD13 LEU 80 3HD1 LEU 80 -8.085 -4.483 5.128 611 HD21 LEU 80 3HD2 LEU 80 -8.787 -3.133 8.562 612 HD22 LEU 80 1HD2 LEU 80 -8.735 -4.841 8.101 613 HD23 LEU 80 2HD2 LEU 80 -7.470 -3.736 7.516 614 H LEU 81 H LEU 81 -11.418 -2.035 7.063 615 HA LEU 81 HA LEU 81 -13.567 -0.623 7.445 616 HB2 LEU 81 1HB LEU 81 -12.246 -2.174 9.017 617 HB3 LEU 81 2HB LEU 81 -11.490 -0.780 9.663 618 HG LEU 81 HG LEU 81 -13.234 -1.475 11.112 619 HD11 LEU 81 1HD1 LEU 81 -13.025 0.994 10.928 620 HD12 LEU 81 2HD1 LEU 81 -14.363 1.007 9.757 621 HD13 LEU 81 3HD1 LEU 81 -14.625 0.463 11.417 622 HD21 LEU 81 3HD2 LEU 81 -14.593 -2.736 9.520 623 HD22 LEU 81 1HD2 LEU 81 -15.571 -1.674 10.533 624 HD23 LEU 81 2HD2 LEU 81 -15.236 -1.237 8.839 625 H HIS 82 H HIS 82 -10.584 0.726 8.730 626 HA HIS 82 HA HIS 82 -11.384 3.488 7.934 627 HB2 HIS 82 1HB HIS 82 -10.944 4.408 10.083 628 HB3 HIS 82 2HB HIS 82 -12.086 3.095 10.295 629 HD1 HIS 82 1HD HIS 82 -9.000 4.387 11.867 630 HD2 HIS 82 2HD HIS 82 -10.694 0.607 11.027 631 HE1 HIS 82 1HE HIS 82 -7.848 2.744 13.378 632 H LYS 83 H LYS 83 -9.002 1.206 7.529 633 HA LYS 83 HA LYS 83 -6.845 3.210 7.522 634 HB2 LYS 83 1HB LYS 83 -6.805 0.285 8.422 635 HB3 LYS 83 2HB LYS 83 -5.370 1.253 8.105 636 HG2 LYS 83 1HG LYS 83 -6.550 3.010 9.714 637 HG3 LYS 83 2HG LYS 83 -7.512 1.654 10.217 638 HD2 LYS 83 1HD LYS 83 -4.512 1.547 10.220 639 HD3 LYS 83 2HD LYS 83 -5.373 2.353 11.552 640 HE2 LYS 83 1HE LYS 83 -6.725 -0.018 11.484 641 HE3 LYS 83 2HE LYS 83 -5.164 -0.561 10.884 642 HZ1 LYS 83 3HZ LYS 83 -5.770 0.663 13.509 643 HZ2 LYS 83 1HZ LYS 83 -5.070 -0.786 13.199 644 HZ3 LYS 83 2HZ LYS 83 -4.227 0.572 12.962 645 HA PRO 84 HA PRO 84 -6.281 1.939 3.337 646 HB2 PRO 84 1HB PRO 84 -3.681 2.660 2.872 647 HB3 PRO 84 2HB PRO 84 -4.988 3.850 3.145 648 HG2 PRO 84 1HG PRO 84 -2.981 2.797 5.136 649 HG3 PRO 84 2HG PRO 84 -3.468 4.490 4.882 650 HD2 PRO 84 1HD PRO 84 -4.412 2.795 6.846 651 HD3 PRO 84 2HD PRO 84 -5.393 4.129 6.214 652 H ILE 85 H ILE 85 -5.072 0.428 1.941 653 HA ILE 85 HA ILE 85 -3.712 -1.783 3.330 654 HB ILE 85 HB ILE 85 -5.184 -3.470 2.663 655 HG12 ILE 85 1HG1 ILE 85 -7.406 -2.572 1.293 656 HG13 ILE 85 2HG1 ILE 85 -6.179 -1.558 0.582 657 HG21 ILE 85 1HG2 ILE 85 -6.978 -1.235 3.497 658 HG22 ILE 85 2HG2 ILE 85 -7.306 -2.968 3.580 659 HG23 ILE 85 3HG2 ILE 85 -5.999 -2.222 4.547 660 HD11 ILE 85 3HD1 ILE 85 -6.519 -3.625 -0.727 661 HD12 ILE 85 1HD1 ILE 85 -4.887 -3.612 -0.064 662 HD13 ILE 85 2HD1 ILE 85 -6.142 -4.610 0.698 663 H VAL 86 H VAL 86 -2.713 -3.288 1.838 664 HA VAL 86 HA VAL 86 -2.337 -2.421 -0.945 665 HB VAL 86 HB VAL 86 0.087 -2.861 -0.800 666 HG11 VAL 86 1HG1 VAL 86 -0.772 -0.548 -0.701 667 HG12 VAL 86 2HG1 VAL 86 -0.757 -0.619 1.079 668 HG13 VAL 86 3HG1 VAL 86 0.761 -0.749 0.164 669 HG21 VAL 86 3HG2 VAL 86 1.275 -2.791 1.344 670 HG22 VAL 86 1HG2 VAL 86 -0.259 -2.850 2.198 671 HG23 VAL 86 2HG2 VAL 86 0.256 -4.235 1.194 672 H TRP 87 H TRP 87 -1.281 -4.314 -2.183 673 HA TRP 87 HA TRP 87 -2.104 -6.932 -1.036 674 HB2 TRP 87 1HB TRP 87 -1.046 -6.479 -3.859 675 HB3 TRP 87 2HB TRP 87 -1.816 -7.886 -3.168 676 HD1 TRP 87 HD TRP 87 -2.641 -4.958 -5.199 677 HE1 TRP 87 1HE TRP 87 -5.127 -4.365 -5.203 678 HE3 TRP 87 3HE TRP 87 -4.188 -8.118 -1.496 679 HZ2 TRP 87 2HZ TRP 87 -7.498 -5.229 -3.833 680 HZ3 TRP 87 3HZ TRP 87 -6.551 -8.286 -0.933 681 HH2 TRP 87 HH TRP 87 -8.243 -6.811 -2.072 682 H HIS 88 H HIS 88 -0.593 -7.862 0.148 683 HA HIS 88 HA HIS 88 2.273 -7.571 -0.655 684 HB2 HIS 88 1HB HIS 88 2.958 -8.142 1.441 685 HB3 HIS 88 2HB HIS 88 1.721 -6.948 1.733 686 HD1 HIS 88 1HD HIS 88 2.924 -10.340 2.636 687 HD2 HIS 88 2HD HIS 88 -0.598 -8.093 2.952 688 HE1 HIS 88 1HE HIS 88 1.530 -11.536 4.292 689 H ILE 89 H ILE 89 3.495 -9.459 -0.848 690 HA ILE 89 HA ILE 89 2.130 -12.085 -0.776 691 HB ILE 89 HB ILE 89 3.807 -10.941 -3.064 692 HG12 ILE 89 1HG1 ILE 89 1.098 -12.339 -3.048 693 HG13 ILE 89 2HG1 ILE 89 1.327 -10.606 -3.171 694 HG21 ILE 89 1HG2 ILE 89 4.678 -13.169 -2.394 695 HG22 ILE 89 2HG2 ILE 89 3.053 -13.846 -2.569 696 HG23 ILE 89 3HG2 ILE 89 3.933 -13.224 -3.986 697 HD11 ILE 89 3HD1 ILE 89 2.585 -10.913 -5.291 698 HD12 ILE 89 1HD1 ILE 89 2.226 -12.650 -5.246 699 HD13 ILE 89 2HD1 ILE 89 0.910 -11.483 -5.388 700 H ASN 90 H ASN 90 3.332 -13.154 0.767 701 HA ASN 90 HA ASN 90 5.008 -13.632 2.188 702 HB2 ASN 90 1HB ASN 90 6.906 -14.561 1.208 703 HB3 ASN 90 2HB ASN 90 5.562 -14.895 0.154 704 HD21 ASN 90 1HD2 ASN 90 8.135 -12.422 0.526 705 HD22 ASN 90 2HD2 ASN 90 8.661 -12.431 -1.154 706 H GLN 91 H GLN 91 4.648 -10.730 2.080 707 HA GLN 91 HA GLN 91 5.563 -8.810 2.820 708 HB2 GLN 91 1HB GLN 91 7.880 -10.347 3.955 709 HB3 GLN 91 2HB GLN 91 7.249 -8.762 4.454 710 HG2 GLN 91 1HG GLN 91 5.114 -9.845 5.147 711 HG3 GLN 91 2HG GLN 91 5.798 -11.434 4.770 712 HE21 GLN 91 1HE2 GLN 91 8.258 -11.480 5.825 713 HE22 GLN 91 2HE2 GLN 91 8.241 -11.045 7.556 714 H ALA 92 H ALA 92 6.062 -9.621 0.095 715 HA ALA 92 HA ALA 92 8.281 -7.796 -0.507 716 HB1 ALA 92 1HB ALA 92 7.591 -10.330 -2.086 717 HB2 ALA 92 2HB ALA 92 8.861 -9.158 -2.481 718 HB3 ALA 92 3HB ALA 92 9.019 -10.169 -1.041 719 H THR 93 H THR 93 7.939 -7.079 -2.872 720 HA THR 93 HA THR 93 5.153 -7.143 -3.739 721 HB THR 93 HB THR 93 5.523 -4.883 -3.213 722 HG1 THR 93 1HG THR 93 4.453 -4.935 -4.929 723 HG21 THR 93 3HG2 THR 93 7.330 -3.455 -4.140 724 HG22 THR 93 1HG2 THR 93 8.004 -4.685 -3.068 725 HG23 THR 93 2HG2 THR 93 8.125 -4.868 -4.834 726 H THR 94 H THR 94 5.107 -7.054 -6.149 727 HA THR 94 HA THR 94 7.276 -8.486 -7.507 728 HB THR 94 HB THR 94 5.701 -10.324 -8.103 729 HG1 THR 94 1HG THR 94 3.813 -10.535 -6.783 730 HG21 THR 94 3HG2 THR 94 5.759 -10.133 -5.066 731 HG22 THR 94 1HG2 THR 94 5.671 -11.595 -6.065 732 HG23 THR 94 2HG2 THR 94 7.144 -10.594 -6.050 733 H LYS 95 H LYS 95 6.708 -8.404 -9.959 734 HA LYS 95 HA LYS 95 5.317 -6.078 -10.686 735 HB2 LYS 95 1HB LYS 95 7.001 -7.112 -12.013 736 HB3 LYS 95 2HB LYS 95 5.981 -8.532 -12.301 737 HG2 LYS 95 1HG LYS 95 4.759 -5.923 -13.077 738 HG3 LYS 95 2HG LYS 95 6.265 -6.246 -13.910 739 HD2 LYS 95 1HD LYS 95 4.099 -8.379 -13.819 740 HD3 LYS 95 2HD LYS 95 4.029 -7.032 -14.948 741 HE2 LYS 95 1HE LYS 95 5.045 -8.907 -16.072 742 HE3 LYS 95 2HE LYS 95 6.214 -7.602 -15.887 743 HZ1 LYS 95 3HZ LYS 95 6.119 -10.134 -14.388 744 HZ2 LYS 95 1HZ LYS 95 7.237 -9.621 -15.456 745 HZ3 LYS 95 2HZ LYS 95 7.172 -8.883 -14.009 746 H THR 96 H THR 96 4.002 -9.269 -9.952 747 HA THR 96 HA THR 96 1.401 -8.960 -11.031 748 HB THR 96 HB THR 96 2.158 -10.367 -8.448 749 HG1 THR 96 1HG THR 96 2.828 -12.090 -9.769 750 HG21 THR 96 3HG2 THR 96 -0.244 -10.396 -9.020 751 HG22 THR 96 1HG2 THR 96 0.141 -11.042 -10.632 752 HG23 THR 96 2HG2 THR 96 0.462 -12.012 -9.179 753 H THR 97 H THR 97 2.945 -7.567 -8.113 754 HA THR 97 HA THR 97 0.336 -6.429 -7.224 755 HB THR 97 HB THR 97 1.262 -6.540 -4.941 756 HG1 THR 97 1HG THR 97 3.192 -8.350 -6.078 757 HG21 THR 97 3HG2 THR 97 0.924 -8.858 -4.520 758 HG22 THR 97 1HG2 THR 97 -0.294 -8.251 -5.640 759 HG23 THR 97 2HG2 THR 97 1.038 -9.267 -6.246 760 H PHE 98 H PHE 98 2.999 -5.566 -8.822 761 HA PHE 98 HA PHE 98 3.727 -3.046 -7.643 762 HB2 PHE 98 1HB PHE 98 5.265 -4.035 -9.144 763 HB3 PHE 98 2HB PHE 98 4.002 -4.500 -10.265 764 HD1 PHE 98 2HD PHE 98 4.978 -1.126 -8.904 765 HD2 PHE 98 1HD PHE 98 4.349 -3.646 -12.328 766 HE1 PHE 98 2HE PHE 98 5.587 0.769 -10.397 767 HE2 PHE 98 1HE PHE 98 5.035 -1.786 -13.817 768 HZ PHE 98 HZ PHE 98 5.679 0.405 -12.847 769 H LYS 99 H LYS 99 1.988 -3.818 -10.612 770 HA LYS 99 HA LYS 99 0.962 -1.425 -11.386 771 HB2 LYS 99 1HB LYS 99 -0.038 -4.280 -11.599 772 HB3 LYS 99 2HB LYS 99 -1.022 -2.986 -12.258 773 HG2 LYS 99 1HG LYS 99 1.799 -2.826 -13.147 774 HG3 LYS 99 2HG LYS 99 1.022 -4.336 -13.553 775 HD2 LYS 99 1HD LYS 99 0.686 -3.001 -15.412 776 HD3 LYS 99 2HD LYS 99 -0.894 -2.995 -14.594 777 HE2 LYS 99 1HE LYS 99 -0.518 -0.767 -13.723 778 HE3 LYS 99 2HE LYS 99 1.194 -0.856 -14.127 779 HZ1 LYS 99 3HZ LYS 99 0.501 -0.942 -16.510 780 HZ2 LYS 99 1HZ LYS 99 -1.018 -0.512 -16.038 781 HZ3 LYS 99 2HZ LYS 99 0.245 0.465 -15.733 782 HA PRO 100 HA PRO 100 -3.028 -1.698 -8.696 783 HB2 PRO 100 1HB PRO 100 -3.298 -3.520 -6.717 784 HB3 PRO 100 2HB PRO 100 -3.700 -3.901 -8.411 785 HG2 PRO 100 1HG PRO 100 -1.076 -4.492 -7.004 786 HG3 PRO 100 2HG PRO 100 -2.087 -5.638 -7.893 787 HD2 PRO 100 1HD PRO 100 -0.030 -4.487 -9.072 788 HD3 PRO 100 2HD PRO 100 -1.579 -4.596 -9.960 789 H ASN 101 H ASN 101 0.159 -2.379 -6.968 790 HA ASN 101 HA ASN 101 -0.667 -1.082 -4.582 791 HB2 ASN 101 1HB ASN 101 1.898 -2.055 -5.716 792 HB3 ASN 101 2HB ASN 101 2.075 -0.544 -4.907 793 HD21 ASN 101 1HD2 ASN 101 2.220 -3.803 -4.249 794 HD22 ASN 101 2HD2 ASN 101 1.822 -3.728 -2.554 795 H THR 102 H THR 102 0.704 0.084 -7.708 796 HA THR 102 HA THR 102 1.482 2.577 -6.761 797 HB THR 102 HB THR 102 1.885 3.202 -8.854 798 HG1 THR 102 1HG THR 102 0.793 2.811 -10.627 799 HG21 THR 102 3HG2 THR 102 2.746 1.494 -10.183 800 HG22 THR 102 1HG2 THR 102 2.784 0.819 -8.558 801 HG23 THR 102 2HG2 THR 102 1.502 0.341 -9.683 802 H TRP 103 H TRP 103 -1.750 1.496 -7.430 803 HA TRP 103 HA TRP 103 -3.088 4.071 -7.406 804 HB2 TRP 103 1HB TRP 103 -4.020 1.228 -6.825 805 HB3 TRP 103 2HB TRP 103 -5.078 2.583 -6.884 806 HD1 TRP 103 HD TRP 103 -3.095 0.320 -9.155 807 HE1 TRP 103 1HE TRP 103 -3.941 0.542 -11.569 808 HE3 TRP 103 3HE TRP 103 -5.995 4.484 -8.604 809 HZ2 TRP 103 2HZ TRP 103 -6.185 1.934 -12.858 810 HZ3 TRP 103 3HZ TRP 103 -7.425 5.282 -10.476 811 HH2 TRP 103 HH TRP 103 -7.529 4.011 -12.594 812 H CYS 104 H CYS 104 -2.043 1.728 -4.862 813 HA CYS 104 HA CYS 104 -3.434 3.093 -2.725 814 HB2 CYS 104 1HB CYS 104 -2.546 0.713 -2.576 815 HB3 CYS 104 2HB CYS 104 -0.907 1.407 -2.501 816 HG CYS 104 HG CYS 104 -1.451 3.045 -0.476 817 H LEU 105 H LEU 105 -0.232 3.444 -4.350 818 HA LEU 105 HA LEU 105 0.766 5.292 -2.363 819 HB2 LEU 105 1HB LEU 105 1.550 4.913 -5.304 820 HB3 LEU 105 2HB LEU 105 2.433 5.908 -4.153 821 HG LEU 105 HG LEU 105 1.927 2.939 -3.776 822 HD11 LEU 105 1HD1 LEU 105 4.124 2.436 -4.482 823 HD12 LEU 105 2HD1 LEU 105 3.329 3.328 -5.797 824 HD13 LEU 105 3HD1 LEU 105 4.536 4.107 -4.751 825 HD21 LEU 105 3HD2 LEU 105 3.923 4.808 -2.394 826 HD22 LEU 105 1HD2 LEU 105 2.461 4.131 -1.658 827 HD23 LEU 105 2HD2 LEU 105 3.770 3.058 -2.124 828 H ARG 106 H ARG 106 -0.945 5.665 -5.505 829 HA ARG 106 HA ARG 106 -1.220 8.506 -5.334 830 HB2 ARG 106 1HB ARG 106 -3.091 6.460 -6.626 831 HB3 ARG 106 2HB ARG 106 -3.206 8.223 -6.796 832 HG2 ARG 106 1HG ARG 106 -0.886 8.286 -7.570 833 HG3 ARG 106 2HG ARG 106 -0.816 6.519 -7.589 834 HD2 ARG 106 1HD ARG 106 -2.005 6.418 -9.553 835 HD3 ARG 106 2HD ARG 106 -3.117 7.700 -9.062 836 HE ARG 106 HE ARG 106 -0.892 9.119 -9.448 837 HH11 ARG 106 2HH2 ARG 106 -2.653 6.875 -11.591 838 HH12 ARG 106 1HH2 ARG 106 -2.175 7.701 -13.040 839 HH21 ARG 106 2HH1 ARG 106 -0.309 10.220 -11.424 840 HH22 ARG 106 1HH1 ARG 106 -0.792 9.570 -12.936 841 H CYS 107 H CYS 107 -2.868 6.020 -3.454 842 HA CYS 107 HA CYS 107 -5.017 7.779 -2.591 843 HB2 CYS 107 1HB CYS 107 -4.671 5.058 -2.647 844 HB3 CYS 107 2HB CYS 107 -4.236 5.383 -0.965 845 HG CYS 107 HG CYS 107 -6.367 6.461 -0.207 846 H LEU 108 H LEU 108 -1.734 6.874 -1.502 847 HA LEU 108 HA LEU 108 -1.959 8.283 1.056 848 HB2 LEU 108 1HB LEU 108 0.409 7.025 -0.394 849 HB3 LEU 108 2HB LEU 108 0.451 7.683 1.228 850 HG LEU 108 HG LEU 108 -1.183 5.266 0.355 851 HD11 LEU 108 1HD1 LEU 108 0.443 4.018 1.718 852 HD12 LEU 108 2HD1 LEU 108 1.232 4.880 0.395 853 HD13 LEU 108 3HD1 LEU 108 1.332 5.523 2.052 854 HD21 LEU 108 3HD2 LEU 108 -0.835 6.529 3.106 855 HD22 LEU 108 1HD2 LEU 108 -2.351 6.374 2.196 856 HD23 LEU 108 2HD2 LEU 108 -1.545 4.923 2.807 857 H TRP 109 H TRP 109 -1.112 9.161 -2.261 858 HA TRP 109 HA TRP 109 0.550 11.388 -1.769 859 HB2 TRP 109 1HB TRP 109 -1.562 10.730 -3.860 860 HB3 TRP 109 2HB TRP 109 -0.590 12.147 -3.942 861 HD1 TRP 109 HD TRP 109 1.585 9.317 -2.853 862 HE1 TRP 109 1HE TRP 109 2.892 8.360 -4.799 863 HE3 TRP 109 3HE TRP 109 -0.956 11.553 -6.669 864 HZ2 TRP 109 2HZ TRP 109 2.723 8.398 -7.711 865 HZ3 TRP 109 3HZ TRP 109 -0.345 11.135 -9.020 866 HH2 TRP 109 HH TRP 109 1.466 9.486 -9.566 867 H SER 110 H SER 110 -0.117 13.646 -1.829 868 HA SER 110 HA SER 110 -2.530 14.149 -0.184 869 HB2 SER 110 1HB SER 110 0.032 14.648 0.488 870 HB3 SER 110 2HB SER 110 -0.206 16.068 -0.526 871 HG SER 110 HG SER 110 -1.950 15.341 1.620 872 H THR 111 H THR 111 -4.106 15.553 -1.179 873 HA THR 111 HA THR 111 -3.650 16.442 -3.941 874 HB THR 111 HB THR 111 -5.644 17.910 -3.377 875 HG1 THR 111 1HG THR 111 -5.167 17.588 -1.011 876 HG21 THR 111 3HG2 THR 111 -5.796 15.724 -4.524 877 HG22 THR 111 1HG2 THR 111 -6.031 14.935 -2.952 878 HG23 THR 111 2HG2 THR 111 -7.235 16.097 -3.558 879 H LYS 112 H LYS 112 -2.960 18.498 -4.542 880 HA LYS 112 HA LYS 112 -0.775 19.441 -3.567 881 HB2 LYS 112 1HB LYS 112 -1.355 20.131 -5.600 882 HB3 LYS 112 2HB LYS 112 -2.892 20.882 -5.083 883 HG2 LYS 112 1HG LYS 112 -1.262 22.514 -5.781 884 HG3 LYS 112 2HG LYS 112 -1.752 22.706 -4.097 885 HD2 LYS 112 1HD LYS 112 0.447 21.721 -3.398 886 HD3 LYS 112 2HD LYS 112 0.872 21.489 -5.098 887 HE2 LYS 112 1HE LYS 112 1.872 23.530 -4.013 888 HE3 LYS 112 2HE LYS 112 0.952 23.853 -5.499 889 HZ1 LYS 112 3HZ LYS 112 0.489 25.380 -3.540 890 HZ2 LYS 112 1HZ LYS 112 -0.842 24.697 -4.230 891 HZ3 LYS 112 2HZ LYS 112 -0.214 24.127 -2.804 892 HA PRO 113 HA PRO 113 -1.897 20.936 0.566 893 HB2 PRO 113 1HB PRO 113 1.097 21.455 0.281 894 HB3 PRO 113 2HB PRO 113 0.208 20.843 1.714 895 HG2 PRO 113 1HG PRO 113 1.526 19.085 0.176 896 HG3 PRO 113 2HG PRO 113 -0.180 18.716 0.632 897 HD2 PRO 113 1HD PRO 113 0.790 19.871 -1.999 898 HD3 PRO 113 2HD PRO 113 -0.347 18.540 -1.658 899 H VAL 114 H VAL 114 -2.147 23.112 1.359 900 HA VAL 114 HA VAL 114 -1.378 25.243 -0.548 901 HB VAL 114 HB VAL 114 -2.991 26.591 0.755 902 HG11 VAL 114 1HG1 VAL 114 -3.699 25.240 -1.269 903 HG12 VAL 114 2HG1 VAL 114 -4.277 23.993 -0.167 904 HG13 VAL 114 3HG1 VAL 114 -5.012 25.607 -0.128 905 HG21 VAL 114 3HG2 VAL 114 -3.704 24.024 2.238 906 HG22 VAL 114 1HG2 VAL 114 -2.870 25.422 2.937 907 HG23 VAL 114 2HG2 VAL 114 -4.538 25.578 2.366 908 H ASP 115 H ASP 115 -0.019 23.659 1.616 909 HA ASP 115 HA ASP 115 1.688 25.498 3.129 910 HB2 ASP 115 1HB ASP 115 1.310 23.128 3.738 911 HB3 ASP 115 2HB ASP 115 1.917 22.637 2.160 912 H THR 116 H THR 116 1.546 23.942 -0.007 913 HA THR 116 HA THR 116 2.617 24.070 -1.940 914 HB THR 116 HB THR 116 2.733 26.980 -1.114 915 HG1 THR 116 1HG THR 116 0.704 27.114 -1.650 916 HG21 THR 116 3HG2 THR 116 3.887 26.574 -3.278 917 HG22 THR 116 1HG2 THR 116 2.508 25.674 -3.880 918 HG23 THR 116 2HG2 THR 116 2.346 27.413 -3.536 Start of MODEL 6 1 H1 MET 1 H MET 1 -15.218 -21.943 -4.713 2 HA MET 1 HA MET 1 -14.367 -24.027 -2.779 3 HB2 MET 1 1HB MET 1 -13.072 -21.314 -3.306 4 HB3 MET 1 2HB MET 1 -12.537 -22.536 -2.165 5 HG2 MET 1 1HG MET 1 -11.084 -22.734 -3.998 6 HG3 MET 1 2HG MET 1 -12.189 -24.097 -4.134 7 HE1 MET 1 3HE MET 1 -11.962 -20.418 -6.921 8 HE2 MET 1 1HE MET 1 -12.254 -20.241 -5.179 9 HE3 MET 1 2HE MET 1 -10.713 -20.913 -5.759 10 H TYR 2 H TYR 2 -15.013 -23.643 -0.567 11 HA TYR 2 HA TYR 2 -16.537 -21.156 -0.016 12 HB2 TYR 2 1HB TYR 2 -17.228 -23.172 1.208 13 HB3 TYR 2 2HB TYR 2 -15.586 -23.397 1.818 14 HD1 TYR 2 2HD TYR 2 -18.157 -20.620 1.616 15 HD2 TYR 2 1HD TYR 2 -15.192 -22.640 4.023 16 HE1 TYR 2 2HE TYR 2 -18.568 -19.052 3.489 17 HE2 TYR 2 1HE TYR 2 -15.635 -21.070 5.891 18 HH TYR 2 HH TYR 2 -16.825 -18.973 6.520 19 H THR 3 H THR 3 -15.536 -19.317 0.899 20 HA THR 3 HA THR 3 -13.037 -19.649 2.338 21 HB THR 3 HB THR 3 -12.932 -17.571 0.167 22 HG1 THR 3 1HG THR 3 -12.589 -20.326 -0.152 23 HG21 THR 3 3HG2 THR 3 -11.102 -17.672 1.856 24 HG22 THR 3 1HG2 THR 3 -10.836 -19.388 1.486 25 HG23 THR 3 2HG2 THR 3 -10.508 -18.147 0.260 26 H GLU 4 H GLU 4 -15.943 -18.671 2.686 27 HA GLU 4 HA GLU 4 -17.068 -17.034 3.810 28 HB2 GLU 4 1HB GLU 4 -15.207 -17.856 5.315 29 HB3 GLU 4 2HB GLU 4 -14.366 -16.369 5.006 30 HG2 GLU 4 1HG GLU 4 -16.027 -15.080 6.147 31 HG3 GLU 4 2HG GLU 4 -17.218 -16.392 6.038 32 H GLN 5 H GLN 5 -16.509 -14.439 4.560 33 HA GLN 5 HA GLN 5 -16.469 -12.963 2.010 34 HB2 GLN 5 1HB GLN 5 -16.552 -12.147 4.951 35 HB3 GLN 5 2HB GLN 5 -16.380 -10.976 3.647 36 HG2 GLN 5 1HG GLN 5 -18.590 -12.590 2.879 37 HG3 GLN 5 2HG GLN 5 -18.772 -12.304 4.601 38 HE21 GLN 5 1HE2 GLN 5 -19.096 -10.900 1.432 39 HE22 GLN 5 2HE2 GLN 5 -19.502 -9.283 1.982 40 HA PRO 6 HA PRO 6 -12.045 -11.747 2.573 41 HB2 PRO 6 1HB PRO 6 -12.025 -9.305 1.409 42 HB3 PRO 6 2HB PRO 6 -12.171 -10.777 0.405 43 HG2 PRO 6 1HG PRO 6 -14.401 -8.950 1.361 44 HG3 PRO 6 2HG PRO 6 -14.120 -9.575 -0.294 45 HD2 PRO 6 1HD PRO 6 -15.867 -10.738 1.473 46 HD3 PRO 6 2HD PRO 6 -14.975 -11.697 0.277 47 H ILE 7 H ILE 7 -10.931 -10.169 3.834 48 HA ILE 7 HA ILE 7 -12.492 -9.657 6.209 49 HB ILE 7 HB ILE 7 -9.601 -9.162 5.505 50 HG12 ILE 7 1HG1 ILE 7 -10.697 -11.215 7.465 51 HG13 ILE 7 2HG1 ILE 7 -10.569 -11.591 5.755 52 HG21 ILE 7 1HG2 ILE 7 -10.466 -7.596 7.312 53 HG22 ILE 7 2HG2 ILE 7 -10.834 -9.022 8.277 54 HG23 ILE 7 3HG2 ILE 7 -9.161 -8.657 7.815 55 HD11 ILE 7 3HD1 ILE 7 -8.587 -12.353 6.986 56 HD12 ILE 7 1HD1 ILE 7 -8.211 -11.163 5.721 57 HD13 ILE 7 2HD1 ILE 7 -8.212 -10.676 7.427 58 H ASP 8 H ASP 8 -14.065 -8.198 5.792 59 HA ASP 8 HA ASP 8 -15.065 -6.227 5.555 60 HB2 ASP 8 1HB ASP 8 -12.694 -5.844 7.327 61 HB3 ASP 8 2HB ASP 8 -13.362 -4.373 6.751 62 H LEU 9 H LEU 9 -13.256 -6.892 3.286 63 HA LEU 9 HA LEU 9 -11.778 -4.510 2.734 64 HB2 LEU 9 1HB LEU 9 -11.471 -7.173 2.128 65 HB3 LEU 9 2HB LEU 9 -12.091 -6.580 0.592 66 HG LEU 9 HG LEU 9 -9.650 -5.529 2.120 67 HD11 LEU 9 1HD1 LEU 9 -9.978 -6.925 -0.546 68 HD12 LEU 9 2HD1 LEU 9 -8.431 -6.458 0.230 69 HD13 LEU 9 3HD1 LEU 9 -9.446 -7.720 0.956 70 HD21 LEU 9 3HD2 LEU 9 -10.701 -4.617 -0.568 71 HD22 LEU 9 1HD2 LEU 9 -10.522 -3.642 0.908 72 HD23 LEU 9 2HD2 LEU 9 -9.096 -4.243 0.100 73 H VAL 10 H VAL 10 -12.201 -2.956 1.365 74 HA VAL 10 HA VAL 10 -14.745 -2.954 -0.137 75 HB VAL 10 HB VAL 10 -15.278 -0.678 0.866 76 HG11 VAL 10 1HG1 VAL 10 -16.642 -2.734 1.081 77 HG12 VAL 10 2HG1 VAL 10 -15.728 -3.204 2.523 78 HG13 VAL 10 3HG1 VAL 10 -16.728 -1.735 2.530 79 HG21 VAL 10 3HG2 VAL 10 -13.803 -1.857 3.249 80 HG22 VAL 10 1HG2 VAL 10 -13.283 -0.478 2.302 81 HG23 VAL 10 2HG2 VAL 10 -14.809 -0.403 3.221 82 HA PRO 11 HA PRO 11 -11.888 -0.993 -2.885 83 HB2 PRO 11 1HB PRO 11 -14.042 -0.050 -4.539 84 HB3 PRO 11 2HB PRO 11 -12.830 -1.293 -4.906 85 HG2 PRO 11 1HG PRO 11 -15.542 -1.864 -4.464 86 HG3 PRO 11 2HG PRO 11 -14.206 -3.014 -4.232 87 HD2 PRO 11 1HD PRO 11 -15.651 -1.397 -2.130 88 HD3 PRO 11 2HD PRO 11 -15.005 -3.055 -2.099 89 H THR 12 H THR 12 -11.435 1.174 -3.719 90 HA THR 12 HA THR 12 -13.118 3.437 -3.184 91 HB THR 12 HB THR 12 -12.201 3.212 -0.934 92 HG1 THR 12 1HG THR 12 -12.310 5.358 -1.598 93 HG21 THR 12 3HG2 THR 12 -10.230 1.901 -1.290 94 HG22 THR 12 1HG2 THR 12 -9.475 3.138 -2.301 95 HG23 THR 12 2HG2 THR 12 -9.725 3.412 -0.558 96 H GLN 13 H GLN 13 -10.698 5.182 -3.427 97 HA GLN 13 HA GLN 13 -9.465 4.467 -5.971 98 HB2 GLN 13 1HB GLN 13 -10.216 6.579 -7.010 99 HB3 GLN 13 2HB GLN 13 -11.534 5.487 -6.667 100 HG2 GLN 13 1HG GLN 13 -11.218 7.325 -4.410 101 HG3 GLN 13 2HG GLN 13 -11.173 8.257 -5.896 102 HE21 GLN 13 1HE2 GLN 13 -13.288 8.301 -3.787 103 HE22 GLN 13 2HE2 GLN 13 -14.747 7.812 -4.610 104 HA PRO 14 HA PRO 14 -6.504 7.401 -4.032 105 HB2 PRO 14 1HB PRO 14 -5.243 8.488 -6.186 106 HB3 PRO 14 2HB PRO 14 -4.867 6.836 -5.634 107 HG2 PRO 14 1HG PRO 14 -6.734 7.693 -7.870 108 HG3 PRO 14 2HG PRO 14 -5.502 6.396 -7.887 109 HD2 PRO 14 1HD PRO 14 -8.178 5.886 -7.442 110 HD3 PRO 14 2HD PRO 14 -6.901 4.942 -6.619 111 H LEU 15 H LEU 15 -6.466 9.617 -3.712 112 HA LEU 15 HA LEU 15 -8.769 11.162 -4.139 113 HB2 LEU 15 1HB LEU 15 -5.877 11.780 -3.473 114 HB3 LEU 15 2HB LEU 15 -7.014 13.093 -3.727 115 HG LEU 15 HG LEU 15 -7.606 10.896 -1.707 116 HD11 LEU 15 1HD1 LEU 15 -5.489 11.861 -0.998 117 HD12 LEU 15 2HD1 LEU 15 -6.095 13.511 -1.249 118 HD13 LEU 15 3HD1 LEU 15 -6.772 12.485 0.035 119 HD21 LEU 15 3HD2 LEU 15 -9.493 12.276 -2.383 120 HD22 LEU 15 1HD2 LEU 15 -9.011 12.738 -0.746 121 HD23 LEU 15 2HD2 LEU 15 -8.541 13.778 -2.113 122 HA PRO 16 HA PRO 16 -8.324 12.615 -8.246 123 HB2 PRO 16 1HB PRO 16 -9.653 15.044 -8.137 124 HB3 PRO 16 2HB PRO 16 -10.487 13.461 -8.085 125 HG2 PRO 16 1HG PRO 16 -9.812 15.271 -5.792 126 HG3 PRO 16 2HG PRO 16 -11.286 14.303 -6.053 127 HD2 PRO 16 1HD PRO 16 -9.193 13.593 -4.418 128 HD3 PRO 16 2HD PRO 16 -10.280 12.403 -5.178 129 H ASN 17 H ASN 17 -6.926 13.668 -9.392 130 HA ASN 17 HA ASN 17 -5.227 14.893 -10.138 131 HB2 ASN 17 1HB ASN 17 -5.103 16.537 -7.598 132 HB3 ASN 17 2HB ASN 17 -4.466 16.909 -9.199 133 HD21 ASN 17 1HD2 ASN 17 -5.769 18.888 -8.086 134 HD22 ASN 17 2HD2 ASN 17 -7.452 18.981 -8.555 135 H ALA 18 H ALA 18 -5.019 14.534 -6.757 136 HA ALA 18 HA ALA 18 -3.300 14.397 -5.196 137 HB1 ALA 18 1HB ALA 18 -4.111 12.160 -5.443 138 HB2 ALA 18 2HB ALA 18 -2.896 11.819 -6.698 139 HB3 ALA 18 3HB ALA 18 -2.386 12.181 -5.041 140 H SER 19 H SER 19 -1.025 14.106 -4.640 141 HA SER 19 HA SER 19 1.046 14.816 -6.589 142 HB2 SER 19 1HB SER 19 1.347 16.985 -5.103 143 HB3 SER 19 2HB SER 19 0.238 16.976 -6.477 144 HG SER 19 HG SER 19 -0.688 16.325 -3.907 145 H PHE 20 H PHE 20 2.690 13.576 -5.848 146 HA PHE 20 HA PHE 20 2.927 12.617 -3.139 147 HB2 PHE 20 1HB PHE 20 3.662 11.412 -5.259 148 HB3 PHE 20 2HB PHE 20 4.827 12.660 -5.551 149 HD1 PHE 20 2HD PHE 20 4.148 11.011 -2.217 150 HD2 PHE 20 1HD PHE 20 6.813 11.410 -5.593 151 HE1 PHE 20 2HE PHE 20 5.933 9.859 -0.955 152 HE2 PHE 20 1HE PHE 20 8.568 10.254 -4.348 153 HZ PHE 20 HZ PHE 20 8.135 9.514 -1.971 154 H ASP 21 H ASP 21 3.215 13.705 -1.619 155 HA ASP 21 HA ASP 21 5.021 15.957 -1.387 156 HB2 ASP 21 1HB ASP 21 4.181 15.941 0.823 157 HB3 ASP 21 2HB ASP 21 2.796 15.819 -0.219 158 H ASN 22 H ASN 22 6.635 15.555 0.688 159 HA ASN 22 HA ASN 22 8.260 13.310 -0.329 160 HB2 ASN 22 1HB ASN 22 8.873 15.933 0.850 161 HB3 ASN 22 2HB ASN 22 9.825 14.636 1.570 162 HD21 ASN 22 1HD2 ASN 22 11.846 14.858 0.772 163 HD22 ASN 22 2HD2 ASN 22 12.180 14.844 -0.917 164 H PHE 23 H PHE 23 5.914 12.607 1.413 165 HA PHE 23 HA PHE 23 7.148 11.656 3.853 166 HB2 PHE 23 1HB PHE 23 5.231 10.489 4.320 167 HB3 PHE 23 2HB PHE 23 4.611 11.847 3.412 168 HD1 PHE 23 2HD PHE 23 4.064 11.450 0.897 169 HD2 PHE 23 1HD PHE 23 4.838 8.253 3.672 170 HE1 PHE 23 2HE PHE 23 2.903 9.878 -0.593 171 HE2 PHE 23 1HE PHE 23 3.671 6.674 2.162 172 HZ PHE 23 HZ PHE 23 2.743 7.464 0.018 173 H LYS 24 H LYS 24 7.620 9.417 4.301 174 HA LYS 24 HA LYS 24 8.369 7.750 1.935 175 HB2 LYS 24 1HB LYS 24 10.426 8.524 2.630 176 HB3 LYS 24 2HB LYS 24 9.993 8.589 4.347 177 HG2 LYS 24 1HG LYS 24 10.298 6.312 4.688 178 HG3 LYS 24 2HG LYS 24 10.065 5.947 2.963 179 HD2 LYS 24 1HD LYS 24 12.050 6.697 2.300 180 HD3 LYS 24 2HD LYS 24 12.565 7.317 3.911 181 HE2 LYS 24 1HE LYS 24 12.784 5.071 4.695 182 HE3 LYS 24 2HE LYS 24 11.473 4.512 3.622 183 HZ1 LYS 24 3HZ LYS 24 13.064 4.675 1.760 184 HZ2 LYS 24 1HZ LYS 24 14.278 4.893 2.855 185 HZ3 LYS 24 2HZ LYS 24 13.359 3.520 2.838 186 H LEU 25 H LEU 25 7.975 5.572 2.186 187 HA LEU 25 HA LEU 25 6.223 4.728 4.429 188 HB2 LEU 25 1HB LEU 25 7.226 2.962 2.160 189 HB3 LEU 25 2HB LEU 25 5.882 2.707 3.252 190 HG LEU 25 HG LEU 25 5.083 5.051 2.106 191 HD11 LEU 25 1HD1 LEU 25 7.042 5.147 0.568 192 HD12 LEU 25 2HD1 LEU 25 6.602 3.567 -0.092 193 HD13 LEU 25 3HD1 LEU 25 5.525 4.970 -0.322 194 HD21 LEU 25 3HD2 LEU 25 4.618 2.284 0.953 195 HD22 LEU 25 1HD2 LEU 25 3.750 3.043 2.320 196 HD23 LEU 25 2HD2 LEU 25 3.602 3.726 0.693 197 H THR 26 H THR 26 6.896 3.111 5.940 198 HA THR 26 HA THR 26 9.520 1.841 5.550 199 HB THR 26 HB THR 26 10.051 2.103 7.914 200 HG1 THR 26 1HG THR 26 7.847 3.902 7.989 201 HG21 THR 26 3HG2 THR 26 10.821 4.396 7.917 202 HG22 THR 26 1HG2 THR 26 11.019 3.706 6.297 203 HG23 THR 26 2HG2 THR 26 9.687 4.830 6.635 204 H CYS 27 H CYS 27 9.604 -0.093 7.270 205 HA CYS 27 HA CYS 27 7.278 -1.116 8.413 206 HB2 CYS 27 1HB CYS 27 6.502 -1.553 6.143 207 HB3 CYS 27 2HB CYS 27 8.009 -2.331 5.718 208 HG CYS 27 HG CYS 27 5.490 -3.695 6.279 209 H SER 28 H SER 28 7.933 -3.484 9.143 210 HA SER 28 HA SER 28 10.665 -3.723 10.011 211 HB2 SER 28 1HB SER 28 9.884 -6.074 10.493 212 HB3 SER 28 2HB SER 28 8.887 -4.809 11.221 213 HG SER 28 HG SER 28 7.433 -6.136 10.329 214 H ASN 29 H ASN 29 8.767 -4.986 7.284 215 HA ASN 29 HA ASN 29 11.077 -6.329 6.084 216 HB2 ASN 29 1HB ASN 29 8.671 -7.097 5.737 217 HB3 ASN 29 2HB ASN 29 8.459 -5.707 4.666 218 HD21 ASN 29 1HD2 ASN 29 9.679 -8.847 4.965 219 HD22 ASN 29 2HD2 ASN 29 10.517 -9.031 3.445 220 H THR 30 H THR 30 12.711 -4.848 5.612 221 HA THR 30 HA THR 30 12.238 -2.253 4.617 222 HB THR 30 HB THR 30 14.703 -2.481 3.886 223 HG1 THR 30 1HG THR 30 15.630 -4.258 5.207 224 HG21 THR 30 3HG2 THR 30 13.831 -1.515 6.052 225 HG22 THR 30 1HG2 THR 30 14.023 -3.112 6.792 226 HG23 THR 30 2HG2 THR 30 15.442 -2.227 6.165 227 H LYS 31 H LYS 31 13.059 -5.268 2.772 228 HA LYS 31 HA LYS 31 13.192 -4.183 0.229 229 HB2 LYS 31 1HB LYS 31 13.651 -6.534 0.486 230 HB3 LYS 31 2HB LYS 31 12.067 -6.837 1.177 231 HG2 LYS 31 1HG LYS 31 11.988 -7.748 -1.006 232 HG3 LYS 31 2HG LYS 31 10.990 -6.316 -1.072 233 HD2 LYS 31 1HD LYS 31 12.175 -6.188 -3.009 234 HD3 LYS 31 2HD LYS 31 13.160 -5.129 -1.996 235 HE2 LYS 31 1HE LYS 31 14.778 -6.950 -1.640 236 HE3 LYS 31 2HE LYS 31 13.685 -8.114 -2.409 237 HZ1 LYS 31 3HZ LYS 31 13.954 -6.844 -4.490 238 HZ2 LYS 31 1HZ LYS 31 15.020 -5.860 -3.750 239 HZ3 LYS 31 2HZ LYS 31 15.399 -7.441 -3.928 240 H PHE 32 H PHE 32 10.126 -5.346 1.784 241 HA PHE 32 HA PHE 32 8.477 -4.688 -0.362 242 HB2 PHE 32 1HB PHE 32 7.892 -5.970 1.738 243 HB3 PHE 32 2HB PHE 32 7.855 -4.420 2.579 244 HD1 PHE 32 2HD PHE 32 6.445 -5.816 -0.661 245 HD2 PHE 32 1HD PHE 32 5.643 -3.735 3.047 246 HE1 PHE 32 2HE PHE 32 4.039 -5.438 -1.337 247 HE2 PHE 32 1HE PHE 32 3.266 -3.535 2.426 248 HZ PHE 32 HZ PHE 32 2.459 -4.411 0.235 249 H ALA 33 H ALA 33 9.188 -2.575 2.495 250 HA ALA 33 HA ALA 33 7.640 -0.378 1.483 251 HB1 ALA 33 1HB ALA 33 8.162 -0.633 3.872 252 HB2 ALA 33 2HB ALA 33 9.903 -0.436 3.535 253 HB3 ALA 33 3HB ALA 33 8.771 0.914 3.260 254 H ASP 34 H ASP 34 10.968 -1.401 1.005 255 HA ASP 34 HA ASP 34 11.994 1.163 0.088 256 HB2 ASP 34 1HB ASP 34 13.397 -0.593 1.137 257 HB3 ASP 34 2HB ASP 34 13.152 -1.632 -0.270 258 H ASP 35 H ASP 35 10.890 -1.842 -1.508 259 HA ASP 35 HA ASP 35 11.200 -1.003 -4.221 260 HB2 ASP 35 1HB ASP 35 9.827 -3.210 -2.774 261 HB3 ASP 35 2HB ASP 35 8.927 -2.592 -4.157 262 H LEU 36 H LEU 36 8.497 -0.691 -1.881 263 HA LEU 36 HA LEU 36 6.631 0.561 -3.668 264 HB2 LEU 36 1HB LEU 36 6.915 0.192 -0.704 265 HB3 LEU 36 2HB LEU 36 5.872 1.494 -1.238 266 HG LEU 36 HG LEU 36 4.352 0.094 -2.320 267 HD11 LEU 36 1HD1 LEU 36 4.534 -2.325 -2.612 268 HD12 LEU 36 2HD1 LEU 36 5.807 -1.497 -3.512 269 HD13 LEU 36 3HD1 LEU 36 6.186 -2.298 -1.975 270 HD21 LEU 36 3HD2 LEU 36 5.283 -1.416 0.177 271 HD22 LEU 36 1HD2 LEU 36 4.278 0.046 0.181 272 HD23 LEU 36 2HD2 LEU 36 3.650 -1.443 -0.521 273 H ASN 37 H ASN 37 9.091 1.962 -1.419 274 HA ASN 37 HA ASN 37 8.541 4.696 -1.955 275 HB2 ASN 37 1HB ASN 37 10.933 3.130 -0.988 276 HB3 ASN 37 2HB ASN 37 11.125 4.785 -1.478 277 HD21 ASN 37 1HD2 ASN 37 9.915 2.712 0.962 278 HD22 ASN 37 2HD2 ASN 37 9.570 3.939 2.165 279 H GLN 38 H GLN 38 10.319 2.186 -3.839 280 HA GLN 38 HA GLN 38 11.691 3.932 -5.591 281 HB2 GLN 38 1HB GLN 38 11.453 1.124 -4.993 282 HB3 GLN 38 2HB GLN 38 11.096 1.337 -6.704 283 HG2 GLN 38 1HG GLN 38 13.545 2.412 -5.244 284 HG3 GLN 38 2HG GLN 38 13.449 0.899 -6.152 285 HE21 GLN 38 1HE2 GLN 38 14.142 4.253 -6.410 286 HE22 GLN 38 2HE2 GLN 38 13.924 4.456 -8.116 287 H MET 39 H MET 39 8.406 2.337 -5.659 288 HA MET 39 HA MET 39 7.973 2.970 -8.357 289 HB2 MET 39 1HB MET 39 6.021 2.576 -6.069 290 HB3 MET 39 2HB MET 39 5.612 2.532 -7.791 291 HG2 MET 39 1HG MET 39 6.748 0.495 -8.126 292 HG3 MET 39 2HG MET 39 7.681 0.642 -6.641 293 HE1 MET 39 3HE MET 39 3.923 1.583 -6.766 294 HE2 MET 39 1HE MET 39 4.071 0.336 -8.016 295 HE3 MET 39 2HE MET 39 3.130 0.020 -6.563 296 H THR 40 H THR 40 7.176 4.675 -5.296 297 HA THR 40 HA THR 40 5.809 6.814 -6.699 298 HB THR 40 HB THR 40 5.223 6.115 -4.442 299 HG1 THR 40 1HG THR 40 5.981 8.831 -4.596 300 HG21 THR 40 3HG2 THR 40 7.849 7.357 -3.562 301 HG22 THR 40 1HG2 THR 40 6.510 6.901 -2.481 302 HG23 THR 40 2HG2 THR 40 7.327 5.658 -3.429 303 H GLY 41 H GLY 41 9.202 6.144 -6.035 304 HA2 GLY 41 1HA GLY 41 10.891 7.227 -7.245 305 HA3 GLY 41 2HA GLY 41 9.859 8.634 -7.485 306 H PHE 42 H PHE 42 9.911 7.472 -4.265 307 HA PHE 42 HA PHE 42 10.356 9.818 -2.976 308 HB2 PHE 42 1HB PHE 42 9.620 8.001 -1.658 309 HB3 PHE 42 2HB PHE 42 10.860 6.940 -2.275 310 HD1 PHE 42 1HD PHE 42 10.535 10.059 -0.103 311 HD2 PHE 42 2HD PHE 42 12.743 6.458 -1.067 312 HE1 PHE 42 1HE PHE 42 12.110 10.556 1.642 313 HE2 PHE 42 2HE PHE 42 14.231 6.882 0.877 314 HZ PHE 42 HZ PHE 42 13.897 8.907 2.258 315 H THR 43 H THR 43 12.010 11.140 -2.200 316 HA THR 43 HA THR 43 14.795 10.196 -2.263 317 HB THR 43 HB THR 43 13.682 12.696 -3.591 318 HG1 THR 43 1HG THR 43 13.596 10.834 -4.873 319 HG21 THR 43 3HG2 THR 43 16.581 11.876 -3.165 320 HG22 THR 43 1HG2 THR 43 16.033 13.142 -4.276 321 HG23 THR 43 2HG2 THR 43 15.755 13.338 -2.548 322 H LYS 44 H LYS 44 16.036 11.332 -0.684 323 HA LYS 44 HA LYS 44 14.384 12.279 1.552 324 HB2 LYS 44 1HB LYS 44 17.179 11.232 1.059 325 HB3 LYS 44 2HB LYS 44 17.027 12.328 2.403 326 HG2 LYS 44 1HG LYS 44 14.907 10.705 2.935 327 HG3 LYS 44 2HG LYS 44 15.950 9.581 2.034 328 HD2 LYS 44 1HD LYS 44 17.788 10.190 3.679 329 HD3 LYS 44 2HD LYS 44 16.576 11.132 4.570 330 HE2 LYS 44 1HE LYS 44 15.222 8.798 4.346 331 HE3 LYS 44 2HE LYS 44 16.868 8.156 4.191 332 HZ1 LYS 44 3HZ LYS 44 17.169 9.672 6.312 333 HZ2 LYS 44 1HZ LYS 44 15.564 9.442 6.453 334 HZ3 LYS 44 2HZ LYS 44 16.581 8.124 6.426 335 HA PRO 45 HA PRO 45 15.567 13.266 3.526 336 HB2 PRO 45 1HB PRO 45 14.566 15.284 4.912 337 HB3 PRO 45 2HB PRO 45 16.330 15.154 4.604 338 HG2 PRO 45 1HG PRO 45 14.310 16.835 3.088 339 HG3 PRO 45 2HG PRO 45 15.917 17.346 3.701 340 HD2 PRO 45 1HD PRO 45 15.531 16.566 1.118 341 HD3 PRO 45 2HD PRO 45 17.023 16.113 1.999 342 H ALA 46 H ALA 46 13.724 12.099 4.142 343 HA ALA 46 HA ALA 46 11.337 12.658 2.713 344 HB1 ALA 46 1HB ALA 46 11.447 11.022 5.286 345 HB2 ALA 46 2HB ALA 46 10.363 10.857 3.884 346 HB3 ALA 46 3HB ALA 46 12.054 10.369 3.752 347 H SER 47 H SER 47 9.604 14.018 3.527 348 HA SER 47 HA SER 47 10.319 15.877 5.669 349 HB2 SER 47 1HB SER 47 9.042 16.319 3.441 350 HB3 SER 47 2HB SER 47 7.611 15.754 4.317 351 HG SER 47 HG SER 47 9.269 18.003 4.740 352 H ARG 48 H ARG 48 8.641 12.885 5.528 353 HA ARG 48 HA ARG 48 8.424 12.747 8.322 354 HB2 ARG 48 1HB ARG 48 5.981 12.050 8.348 355 HB3 ARG 48 2HB ARG 48 6.245 13.775 8.226 356 HG2 ARG 48 1HG ARG 48 5.215 13.917 6.208 357 HG3 ARG 48 2HG ARG 48 5.939 12.443 5.602 358 HD2 ARG 48 1HD ARG 48 3.513 12.194 5.749 359 HD3 ARG 48 2HD ARG 48 4.347 11.050 6.793 360 HE ARG 48 HE ARG 48 3.383 11.964 8.630 361 HH11 ARG 48 2HH2 ARG 48 2.888 14.352 5.941 362 HH12 ARG 48 1HH2 ARG 48 1.893 15.353 6.925 363 HH21 ARG 48 2HH1 ARG 48 1.874 13.240 9.773 364 HH22 ARG 48 1HH1 ARG 48 1.162 14.631 9.042 365 H GLU 49 H GLU 49 7.601 10.404 8.844 366 HA GLU 49 HA GLU 49 7.833 8.656 6.481 367 HB2 GLU 49 1HB GLU 49 9.102 8.213 9.202 368 HB3 GLU 49 2HB GLU 49 8.737 6.901 8.081 369 HG2 GLU 49 1HG GLU 49 10.662 7.243 7.023 370 HG3 GLU 49 2HG GLU 49 10.118 8.835 6.526 371 H LEU 50 H LEU 50 6.451 6.924 6.543 372 HA LEU 50 HA LEU 50 4.395 6.754 8.665 373 HB2 LEU 50 1HB LEU 50 4.038 6.056 5.730 374 HB3 LEU 50 2HB LEU 50 2.828 5.902 6.987 375 HG LEU 50 HG LEU 50 3.940 8.536 5.949 376 HD11 LEU 50 1HD1 LEU 50 2.534 7.300 4.301 377 HD12 LEU 50 2HD1 LEU 50 1.234 7.206 5.492 378 HD13 LEU 50 3HD1 LEU 50 1.753 8.787 4.858 379 HD21 LEU 50 3HD2 LEU 50 2.104 9.568 7.229 380 HD22 LEU 50 1HD2 LEU 50 1.618 7.972 7.838 381 HD23 LEU 50 2HD2 LEU 50 3.176 8.665 8.306 382 H SER 51 H SER 51 3.611 4.317 8.579 383 HA SER 51 HA SER 51 5.749 2.483 7.690 384 HB2 SER 51 1HB SER 51 5.963 3.362 10.179 385 HB3 SER 51 2HB SER 51 4.651 2.217 10.496 386 HG SER 51 HG SER 51 7.188 1.795 10.368 387 H VAL 52 H VAL 52 5.100 0.223 7.879 388 HA VAL 52 HA VAL 52 2.178 -0.135 7.482 389 HB VAL 52 HB VAL 52 4.375 -1.345 5.797 390 HG11 VAL 52 1HG1 VAL 52 2.528 -1.810 4.202 391 HG12 VAL 52 2HG1 VAL 52 2.063 -2.448 5.773 392 HG13 VAL 52 3HG1 VAL 52 1.380 -0.918 5.226 393 HG21 VAL 52 3HG2 VAL 52 4.475 1.070 5.302 394 HG22 VAL 52 1HG2 VAL 52 3.851 0.147 3.944 395 HG23 VAL 52 2HG2 VAL 52 2.737 1.064 4.962 396 H THR 53 H THR 53 1.611 -2.475 7.704 397 HA THR 53 HA THR 53 3.401 -4.168 9.299 398 HB THR 53 HB THR 53 1.243 -4.653 10.756 399 HG1 THR 53 1HG THR 53 0.756 -2.094 9.623 400 HG21 THR 53 3HG2 THR 53 3.268 -3.794 11.740 401 HG22 THR 53 1HG2 THR 53 2.924 -2.141 11.174 402 HG23 THR 53 2HG2 THR 53 1.901 -2.900 12.401 403 H PHE 54 H PHE 54 2.097 -6.490 9.428 404 HA PHE 54 HA PHE 54 0.598 -6.865 6.880 405 HB2 PHE 54 1HB PHE 54 2.711 -8.665 8.106 406 HB3 PHE 54 2HB PHE 54 1.687 -9.075 6.735 407 HD1 PHE 54 1HD PHE 54 1.809 -7.470 4.644 408 HD2 PHE 54 2HD PHE 54 4.801 -7.621 7.742 409 HE1 PHE 54 1HE PHE 54 3.540 -6.772 3.017 410 HE2 PHE 54 2HE PHE 54 6.471 -6.744 6.174 411 HZ PHE 54 HZ PHE 54 5.877 -6.337 3.782 412 H PHE 55 H PHE 55 -1.408 -7.821 7.275 413 HA PHE 55 HA PHE 55 -2.426 -7.993 9.730 414 HB2 PHE 55 1HB PHE 55 -3.227 -8.565 7.084 415 HB3 PHE 55 2HB PHE 55 -3.597 -10.022 7.954 416 HD1 PHE 55 2HD PHE 55 -3.935 -6.262 8.373 417 HD2 PHE 55 1HD PHE 55 -5.727 -10.136 8.961 418 HE1 PHE 55 2HE PHE 55 -6.034 -5.193 9.123 419 HE2 PHE 55 1HE PHE 55 -7.822 -9.044 9.715 420 HZ PHE 55 HZ PHE 55 -7.977 -6.578 9.799 421 HA PRO 56 HA PRO 56 -3.923 -9.412 10.884 422 HB2 PRO 56 1HB PRO 56 -3.980 -10.255 13.495 423 HB3 PRO 56 2HB PRO 56 -4.354 -11.382 12.152 424 HG2 PRO 56 1HG PRO 56 -1.692 -11.013 13.565 425 HG3 PRO 56 2HG PRO 56 -2.587 -12.536 13.262 426 HD2 PRO 56 1HD PRO 56 -0.599 -11.611 11.589 427 HD3 PRO 56 2HD PRO 56 -1.996 -12.537 10.987 428 H ASP 57 H ASP 57 -0.634 -8.651 11.445 429 HA ASP 57 HA ASP 57 -1.036 -6.731 13.596 430 HB2 ASP 57 1HB ASP 57 1.172 -7.937 12.939 431 HB3 ASP 57 2HB ASP 57 1.262 -6.789 11.614 432 H LEU 58 H LEU 58 -1.885 -4.716 13.257 433 HA LEU 58 HA LEU 58 -1.840 -3.499 10.604 434 HB2 LEU 58 1HB LEU 58 -4.234 -3.177 10.818 435 HB3 LEU 58 2HB LEU 58 -3.797 -4.872 10.841 436 HG LEU 58 HG LEU 58 -4.910 -3.103 12.968 437 HD11 LEU 58 1HD1 LEU 58 -6.346 -4.531 11.478 438 HD12 LEU 58 2HD1 LEU 58 -5.411 -5.965 11.942 439 HD13 LEU 58 3HD1 LEU 58 -6.471 -5.142 13.130 440 HD21 LEU 58 3HD2 LEU 58 -4.799 -4.777 14.732 441 HD22 LEU 58 1HD2 LEU 58 -3.546 -5.623 13.846 442 HD23 LEU 58 2HD2 LEU 58 -3.278 -3.955 14.403 443 H ASN 59 H ASN 59 -0.449 -3.099 13.197 444 HA ASN 59 HA ASN 59 -1.523 -0.657 14.389 445 HB2 ASN 59 1HB ASN 59 1.072 -2.188 14.841 446 HB3 ASN 59 2HB ASN 59 0.532 -0.807 15.789 447 HD21 ASN 59 1HD2 ASN 59 0.028 -4.115 15.023 448 HD22 ASN 59 2HD2 ASN 59 -1.218 -4.486 16.263 449 H GLY 60 H GLY 60 0.599 -1.393 11.862 450 HA2 GLY 60 1HA GLY 60 2.182 1.038 11.747 451 HA3 GLY 60 2HA GLY 60 1.749 0.031 10.346 452 H ASP 61 H ASP 61 1.810 2.922 10.365 453 HA ASP 61 HA ASP 61 -0.637 4.213 10.624 454 HB2 ASP 61 1HB ASP 61 1.856 4.976 9.778 455 HB3 ASP 61 2HB ASP 61 1.080 4.856 8.229 456 H VAL 62 H VAL 62 0.543 2.109 8.122 457 HA VAL 62 HA VAL 62 -2.048 2.100 6.677 458 HB VAL 62 HB VAL 62 0.787 1.851 5.570 459 HG11 VAL 62 1HG1 VAL 62 -1.870 1.745 4.086 460 HG12 VAL 62 2HG1 VAL 62 -0.269 1.912 3.315 461 HG13 VAL 62 3HG1 VAL 62 -0.663 0.452 4.217 462 HG21 VAL 62 3HG2 VAL 62 0.288 3.959 4.335 463 HG22 VAL 62 1HG2 VAL 62 -1.238 4.098 5.234 464 HG23 VAL 62 2HG2 VAL 62 0.308 4.198 6.091 465 H VAL 63 H VAL 63 -2.537 -0.063 5.795 466 HA VAL 63 HA VAL 63 -1.318 -2.221 7.412 467 HB VAL 63 HB VAL 63 -4.231 -1.955 6.543 468 HG11 VAL 63 1HG1 VAL 63 -3.464 -4.213 7.411 469 HG12 VAL 63 2HG1 VAL 63 -2.957 -3.436 8.864 470 HG13 VAL 63 3HG1 VAL 63 -4.687 -3.455 8.445 471 HG21 VAL 63 3HG2 VAL 63 -3.876 0.017 7.917 472 HG22 VAL 63 1HG2 VAL 63 -4.771 -1.170 8.840 473 HG23 VAL 63 2HG2 VAL 63 -3.032 -0.950 9.156 474 H ALA 64 H ALA 64 -1.810 -4.440 6.288 475 HA ALA 64 HA ALA 64 -1.764 -4.245 3.332 476 HB1 ALA 64 1HB ALA 64 0.080 -5.759 3.194 477 HB2 ALA 64 2HB ALA 64 0.574 -4.430 4.240 478 HB3 ALA 64 3HB ALA 64 0.098 -5.982 4.961 479 H ILE 65 H ILE 65 -2.491 -6.226 2.305 480 HA ILE 65 HA ILE 65 -3.816 -8.192 3.991 481 HB ILE 65 HB ILE 65 -5.027 -6.426 1.906 482 HG12 ILE 65 1HG1 ILE 65 -5.328 -6.128 4.324 483 HG13 ILE 65 2HG1 ILE 65 -6.801 -6.255 3.450 484 HG21 ILE 65 1HG2 ILE 65 -5.476 -8.510 0.829 485 HG22 ILE 65 2HG2 ILE 65 -5.981 -9.276 2.342 486 HG23 ILE 65 3HG2 ILE 65 -6.960 -7.971 1.626 487 HD11 ILE 65 3HD1 ILE 65 -6.963 -7.440 5.606 488 HD12 ILE 65 1HD1 ILE 65 -6.931 -8.696 4.359 489 HD13 ILE 65 2HD1 ILE 65 -5.475 -8.338 5.311 490 H ASP 66 H ASP 66 -3.433 -10.269 3.222 491 HA ASP 66 HA ASP 66 -1.509 -10.735 1.204 492 HB2 ASP 66 1HB ASP 66 -1.994 -12.370 2.970 493 HB3 ASP 66 2HB ASP 66 -3.621 -12.630 2.302 494 H TYR 67 H TYR 67 -1.654 -11.045 -0.885 495 HA TYR 67 HA TYR 67 -3.482 -9.959 -2.589 496 HB2 TYR 67 1HB TYR 67 -1.353 -10.401 -3.394 497 HB3 TYR 67 2HB TYR 67 -1.352 -12.053 -2.804 498 HD1 TYR 67 1HD TYR 67 -2.365 -13.903 -4.028 499 HD2 TYR 67 2HD TYR 67 -2.232 -9.911 -5.643 500 HE1 TYR 67 1HE TYR 67 -2.938 -14.803 -6.241 501 HE2 TYR 67 2HE TYR 67 -2.807 -10.813 -7.905 502 HH TYR 67 HH TYR 67 -3.004 -12.869 -9.212 503 H ARG 68 H ARG 68 -4.028 -13.011 -1.021 504 HA ARG 68 HA ARG 68 -5.645 -14.347 -2.887 505 HB2 ARG 68 1HB ARG 68 -6.393 -15.616 -1.032 506 HB3 ARG 68 2HB ARG 68 -4.764 -15.129 -0.625 507 HG2 ARG 68 1HG ARG 68 -6.004 -13.118 0.640 508 HG3 ARG 68 2HG ARG 68 -7.416 -14.197 0.518 509 HD2 ARG 68 1HD ARG 68 -5.961 -16.008 1.549 510 HD3 ARG 68 2HD ARG 68 -4.741 -14.735 1.792 511 HE ARG 68 HE ARG 68 -7.161 -13.911 3.002 512 HH11 ARG 68 2HH2 ARG 68 -4.265 -15.953 3.450 513 HH12 ARG 68 1HH2 ARG 68 -4.429 -16.006 5.171 514 HH21 ARG 68 2HH1 ARG 68 -7.448 -14.111 5.247 515 HH22 ARG 68 1HH1 ARG 68 -6.195 -14.827 6.218 516 H HIS 69 H HIS 69 -6.412 -11.341 -1.325 517 HA HIS 69 HA HIS 69 -9.310 -11.674 -1.959 518 HB2 HIS 69 1HB HIS 69 -7.851 -9.636 -0.259 519 HB3 HIS 69 2HB HIS 69 -9.569 -9.581 -0.612 520 HD1 HIS 69 1HD HIS 69 -9.460 -13.071 0.152 521 HD2 HIS 69 2HD HIS 69 -8.823 -9.484 2.284 522 HE1 HIS 69 1HE HIS 69 -9.808 -13.611 2.599 523 H TYR 70 H TYR 70 -6.670 -10.731 -3.769 524 HA TYR 70 HA TYR 70 -7.563 -8.102 -4.577 525 HB2 TYR 70 1HB TYR 70 -5.205 -8.702 -4.659 526 HB3 TYR 70 2HB TYR 70 -5.548 -9.966 -5.828 527 HD1 TYR 70 1HD TYR 70 -7.559 -7.018 -6.624 528 HD2 TYR 70 2HD TYR 70 -3.609 -8.725 -6.959 529 HE1 TYR 70 1HE TYR 70 -7.084 -5.540 -8.510 530 HE2 TYR 70 2HE TYR 70 -3.132 -7.275 -8.894 531 HH TYR 70 HH TYR 70 -3.948 -5.232 -10.049 532 H SER 71 H SER 71 -9.833 -8.901 -4.865 533 HA SER 71 HA SER 71 -10.535 -10.182 -7.293 534 HB2 SER 71 1HB SER 71 -12.123 -8.045 -5.796 535 HB3 SER 71 2HB SER 71 -12.781 -9.326 -6.820 536 HG SER 71 HG SER 71 -12.963 -9.615 -4.534 537 H ALA 72 H ALA 72 -11.564 -9.214 -9.142 538 HA ALA 72 HA ALA 72 -10.337 -6.863 -10.247 539 HB1 ALA 72 1HB ALA 72 -11.242 -8.549 -11.706 540 HB2 ALA 72 2HB ALA 72 -12.856 -8.395 -10.985 541 HB3 ALA 72 3HB ALA 72 -12.198 -7.071 -11.936 542 H SER 73 H SER 73 -13.048 -7.208 -7.988 543 HA SER 73 HA SER 73 -14.386 -4.823 -8.271 544 HB2 SER 73 1HB SER 73 -13.548 -5.840 -5.542 545 HB3 SER 73 2HB SER 73 -15.100 -5.178 -6.045 546 HG SER 73 HG SER 73 -14.743 -7.615 -5.741 547 H PHE 74 H PHE 74 -11.072 -5.306 -7.152 548 HA PHE 74 HA PHE 74 -11.007 -2.637 -5.864 549 HB2 PHE 74 1HB PHE 74 -9.141 -5.002 -5.571 550 HB3 PHE 74 2HB PHE 74 -9.213 -3.586 -4.573 551 HD1 PHE 74 1HD PHE 74 -11.823 -3.175 -3.531 552 HD2 PHE 74 2HD PHE 74 -9.969 -6.932 -4.530 553 HE1 PHE 74 1HE PHE 74 -13.199 -4.371 -1.774 554 HE2 PHE 74 2HE PHE 74 -11.480 -8.083 -2.894 555 HZ PHE 74 HZ PHE 74 -13.074 -6.790 -1.566 556 H LYS 75 H LYS 75 -10.534 -3.183 -8.910 557 HA LYS 75 HA LYS 75 -7.767 -3.425 -9.435 558 HB2 LYS 75 1HB LYS 75 -8.785 -3.944 -11.356 559 HB3 LYS 75 2HB LYS 75 -10.263 -3.164 -10.870 560 HG2 LYS 75 1HG LYS 75 -9.694 -2.272 -12.917 561 HG3 LYS 75 2HG LYS 75 -9.456 -1.027 -11.727 562 HD2 LYS 75 1HD LYS 75 -6.894 -1.954 -11.905 563 HD3 LYS 75 2HD LYS 75 -7.501 -2.457 -13.491 564 HE2 LYS 75 1HE LYS 75 -8.404 -0.036 -13.667 565 HE3 LYS 75 2HE LYS 75 -7.395 0.312 -12.243 566 HZ1 LYS 75 3HZ LYS 75 -5.457 -0.384 -13.572 567 HZ2 LYS 75 1HZ LYS 75 -6.430 -0.701 -14.856 568 HZ3 LYS 75 2HZ LYS 75 -6.249 0.825 -14.353 569 H LYS 76 H LYS 76 -9.817 -0.496 -9.168 570 HA LYS 76 HA LYS 76 -7.423 1.205 -9.524 571 HB2 LYS 76 1HB LYS 76 -10.357 1.867 -9.167 572 HB3 LYS 76 2HB LYS 76 -9.054 3.067 -9.329 573 HG2 LYS 76 1HG LYS 76 -8.410 1.841 -11.505 574 HG3 LYS 76 2HG LYS 76 -9.959 0.994 -11.355 575 HD2 LYS 76 1HD LYS 76 -11.055 3.279 -11.236 576 HD3 LYS 76 2HD LYS 76 -9.502 3.995 -11.658 577 HE2 LYS 76 1HE LYS 76 -9.474 2.547 -13.728 578 HE3 LYS 76 2HE LYS 76 -11.065 1.937 -13.263 579 HZ1 LYS 76 3HZ LYS 76 -11.524 3.598 -14.737 580 HZ2 LYS 76 1HZ LYS 76 -11.770 4.361 -13.301 581 HZ3 LYS 76 2HZ LYS 76 -10.405 4.671 -14.166 582 H GLY 77 H GLY 77 -8.656 -0.424 -6.916 583 HA2 GLY 77 1HA GLY 77 -6.931 -0.095 -5.133 584 HA3 GLY 77 2HA GLY 77 -7.541 1.564 -4.999 585 H ALA 78 H ALA 78 -7.493 0.018 -2.747 586 HA ALA 78 HA ALA 78 -10.299 -0.133 -2.038 587 HB1 ALA 78 1HB ALA 78 -10.198 -2.398 -1.224 588 HB2 ALA 78 2HB ALA 78 -9.817 -2.383 -2.938 589 HB3 ALA 78 3HB ALA 78 -8.505 -2.586 -1.752 590 H LYS 79 H LYS 79 -10.442 -0.686 0.362 591 HA LYS 79 HA LYS 79 -8.199 0.116 2.062 592 HB2 LYS 79 1HB LYS 79 -9.705 1.784 3.182 593 HB3 LYS 79 2HB LYS 79 -9.218 2.287 1.565 594 HG2 LYS 79 1HG LYS 79 -11.346 1.903 0.632 595 HG3 LYS 79 2HG LYS 79 -11.767 0.749 1.818 596 HD2 LYS 79 1HD LYS 79 -11.692 2.885 3.462 597 HD3 LYS 79 2HD LYS 79 -11.939 3.730 1.929 598 HE2 LYS 79 1HE LYS 79 -14.139 3.247 2.075 599 HE3 LYS 79 2HE LYS 79 -13.744 1.551 1.813 600 HZ1 LYS 79 3HZ LYS 79 -13.949 2.924 4.433 601 HZ2 LYS 79 1HZ LYS 79 -15.024 1.879 3.824 602 HZ3 LYS 79 2HZ LYS 79 -13.513 1.334 4.267 603 H LEU 80 H LEU 80 -9.168 -0.073 4.458 604 HA LEU 80 HA LEU 80 -10.826 -2.533 4.556 605 HB2 LEU 80 1HB LEU 80 -8.421 -2.399 5.455 606 HB3 LEU 80 2HB LEU 80 -9.016 -1.355 6.716 607 HG LEU 80 HG LEU 80 -10.268 -3.204 7.629 608 HD11 LEU 80 1HD1 LEU 80 -9.399 -4.873 5.238 609 HD12 LEU 80 2HD1 LEU 80 -10.198 -5.501 6.693 610 HD13 LEU 80 3HD1 LEU 80 -11.062 -4.404 5.647 611 HD21 LEU 80 3HD2 LEU 80 -8.456 -4.697 8.247 612 HD22 LEU 80 1HD2 LEU 80 -7.506 -4.208 6.827 613 HD23 LEU 80 2HD2 LEU 80 -7.833 -3.045 8.132 614 H LEU 81 H LEU 81 -11.461 -2.074 7.314 615 HA LEU 81 HA LEU 81 -13.901 -0.941 7.269 616 HB2 LEU 81 1HB LEU 81 -12.671 -2.310 9.031 617 HB3 LEU 81 2HB LEU 81 -12.101 -0.838 9.717 618 HG LEU 81 HG LEU 81 -15.023 -0.817 9.197 619 HD11 LEU 81 1HD1 LEU 81 -15.598 -2.321 11.084 620 HD12 LEU 81 2HD1 LEU 81 -14.826 -3.186 9.755 621 HD13 LEU 81 3HD1 LEU 81 -13.892 -2.801 11.221 622 HD21 LEU 81 3HD2 LEU 81 -13.910 0.928 10.554 623 HD22 LEU 81 1HD2 LEU 81 -15.144 0.061 11.471 624 HD23 LEU 81 2HD2 LEU 81 -13.443 -0.315 11.750 625 H HIS 82 H HIS 82 -11.151 0.671 8.780 626 HA HIS 82 HA HIS 82 -12.070 3.319 7.663 627 HB2 HIS 82 1HB HIS 82 -11.526 4.436 9.722 628 HB3 HIS 82 2HB HIS 82 -12.706 3.174 10.015 629 HD1 HIS 82 1HD HIS 82 -9.531 4.442 11.503 630 HD2 HIS 82 2HD HIS 82 -11.538 0.750 11.030 631 HE1 HIS 82 1HE HIS 82 -8.575 2.893 13.198 632 H LYS 83 H LYS 83 -9.392 1.150 8.017 633 HA LYS 83 HA LYS 83 -7.435 3.328 7.567 634 HB2 LYS 83 1HB LYS 83 -7.232 0.481 8.600 635 HB3 LYS 83 2HB LYS 83 -5.818 1.364 8.079 636 HG2 LYS 83 1HG LYS 83 -7.259 3.167 9.791 637 HG3 LYS 83 2HG LYS 83 -7.265 1.599 10.577 638 HD2 LYS 83 1HD LYS 83 -4.720 2.888 9.535 639 HD3 LYS 83 2HD LYS 83 -5.311 3.106 11.182 640 HE2 LYS 83 1HE LYS 83 -5.434 0.286 10.571 641 HE3 LYS 83 2HE LYS 83 -3.855 0.886 10.051 642 HZ1 LYS 83 3HZ LYS 83 -3.511 1.735 12.281 643 HZ2 LYS 83 1HZ LYS 83 -4.975 1.212 12.764 644 HZ3 LYS 83 2HZ LYS 83 -3.800 0.136 12.319 645 HA PRO 84 HA PRO 84 -6.772 1.849 3.489 646 HB2 PRO 84 1HB PRO 84 -4.272 2.776 2.931 647 HB3 PRO 84 2HB PRO 84 -5.640 3.877 3.259 648 HG2 PRO 84 1HG PRO 84 -3.428 3.017 5.120 649 HG3 PRO 84 2HG PRO 84 -4.109 4.655 4.872 650 HD2 PRO 84 1HD PRO 84 -4.828 2.885 6.900 651 HD3 PRO 84 2HD PRO 84 -5.899 4.176 6.314 652 H ILE 85 H ILE 85 -5.664 0.272 2.168 653 HA ILE 85 HA ILE 85 -4.056 -1.731 3.681 654 HB ILE 85 HB ILE 85 -5.281 -3.590 2.818 655 HG12 ILE 85 1HG1 ILE 85 -7.526 -2.630 1.382 656 HG13 ILE 85 2HG1 ILE 85 -6.246 -1.636 0.759 657 HG21 ILE 85 1HG2 ILE 85 -7.363 -1.521 3.529 658 HG22 ILE 85 2HG2 ILE 85 -7.441 -3.287 3.742 659 HG23 ILE 85 3HG2 ILE 85 -6.317 -2.301 4.693 660 HD11 ILE 85 3HD1 ILE 85 -4.981 -3.719 0.134 661 HD12 ILE 85 1HD1 ILE 85 -6.301 -4.688 0.816 662 HD13 ILE 85 2HD1 ILE 85 -6.586 -3.663 -0.601 663 H VAL 86 H VAL 86 -2.979 -3.341 2.102 664 HA VAL 86 HA VAL 86 -2.556 -2.349 -0.606 665 HB VAL 86 HB VAL 86 -0.149 -2.700 -0.583 666 HG11 VAL 86 1HG1 VAL 86 0.480 -0.617 0.364 667 HG12 VAL 86 2HG1 VAL 86 -1.171 -0.466 -0.252 668 HG13 VAL 86 3HG1 VAL 86 -0.871 -0.619 1.504 669 HG21 VAL 86 3HG2 VAL 86 0.167 -4.173 1.374 670 HG22 VAL 86 1HG2 VAL 86 1.194 -2.730 1.448 671 HG23 VAL 86 2HG2 VAL 86 -0.248 -2.810 2.451 672 H TRP 87 H TRP 87 -1.721 -4.166 -2.007 673 HA TRP 87 HA TRP 87 -2.393 -6.826 -0.933 674 HB2 TRP 87 1HB TRP 87 -1.177 -6.052 -3.621 675 HB3 TRP 87 2HB TRP 87 -1.884 -7.599 -3.176 676 HD1 TRP 87 HD TRP 87 -2.700 -4.642 -5.046 677 HE1 TRP 87 1HE TRP 87 -5.262 -4.291 -5.353 678 HE3 TRP 87 3HE TRP 87 -4.403 -7.838 -1.421 679 HZ2 TRP 87 2HZ TRP 87 -7.624 -5.070 -3.988 680 HZ3 TRP 87 3HZ TRP 87 -6.806 -7.947 -0.924 681 HH2 TRP 87 HH TRP 87 -8.447 -6.593 -2.205 682 H HIS 88 H HIS 88 -0.869 -8.229 -0.204 683 HA HIS 88 HA HIS 88 1.954 -7.820 -0.980 684 HB2 HIS 88 1HB HIS 88 2.833 -8.155 1.134 685 HB3 HIS 88 2HB HIS 88 1.608 -6.916 1.346 686 HD1 HIS 88 1HD HIS 88 2.812 -10.177 2.577 687 HD2 HIS 88 2HD HIS 88 -0.644 -7.814 2.727 688 HE1 HIS 88 1HE HIS 88 1.666 -10.824 4.671 689 H ILE 89 H ILE 89 3.167 -9.703 -0.850 690 HA ILE 89 HA ILE 89 1.846 -12.362 -0.853 691 HB ILE 89 HB ILE 89 3.404 -11.013 -3.135 692 HG12 ILE 89 1HG1 ILE 89 0.804 -12.601 -3.144 693 HG13 ILE 89 2HG1 ILE 89 0.934 -10.835 -3.174 694 HG21 ILE 89 1HG2 ILE 89 2.887 -14.003 -2.993 695 HG22 ILE 89 2HG2 ILE 89 3.702 -13.107 -4.279 696 HG23 ILE 89 3HG2 ILE 89 4.480 -13.234 -2.724 697 HD11 ILE 89 3HD1 ILE 89 0.492 -11.549 -5.405 698 HD12 ILE 89 1HD1 ILE 89 2.179 -11.006 -5.349 699 HD13 ILE 89 2HD1 ILE 89 1.784 -12.745 -5.372 700 H ASN 90 H ASN 90 3.097 -13.078 0.940 701 HA ASN 90 HA ASN 90 4.991 -13.693 2.112 702 HB2 ASN 90 1HB ASN 90 6.382 -13.629 -0.594 703 HB3 ASN 90 2HB ASN 90 6.857 -14.531 0.811 704 HD21 ASN 90 1HD2 ASN 90 3.962 -14.017 -0.865 705 HD22 ASN 90 2HD2 ASN 90 3.403 -15.680 -1.201 706 H GLN 91 H GLN 91 4.492 -10.907 1.964 707 HA GLN 91 HA GLN 91 5.348 -8.819 2.238 708 HB2 GLN 91 1HB GLN 91 7.614 -10.370 3.576 709 HB3 GLN 91 2HB GLN 91 7.217 -8.666 3.810 710 HG2 GLN 91 1HG GLN 91 6.218 -9.866 5.688 711 HG3 GLN 91 2HG GLN 91 4.967 -9.310 4.636 712 HE21 GLN 91 1HE2 GLN 91 3.448 -10.626 4.672 713 HE22 GLN 91 2HE2 GLN 91 3.432 -12.324 4.228 714 H ALA 92 H ALA 92 5.764 -9.921 -0.390 715 HA ALA 92 HA ALA 92 8.164 -8.349 -1.195 716 HB1 ALA 92 1HB ALA 92 8.838 -10.098 -2.748 717 HB2 ALA 92 2HB ALA 92 8.928 -10.684 -1.067 718 HB3 ALA 92 3HB ALA 92 7.579 -11.184 -2.120 719 H THR 93 H THR 93 7.628 -6.993 -2.783 720 HA THR 93 HA THR 93 4.958 -7.155 -4.002 721 HB THR 93 HB THR 93 5.391 -5.111 -3.059 722 HG1 THR 93 1HG THR 93 5.326 -3.756 -4.896 723 HG21 THR 93 3HG2 THR 93 7.860 -5.060 -2.904 724 HG22 THR 93 1HG2 THR 93 7.940 -4.807 -4.670 725 HG23 THR 93 2HG2 THR 93 7.171 -3.608 -3.611 726 H THR 94 H THR 94 4.741 -8.401 -5.633 727 HA THR 94 HA THR 94 6.935 -9.198 -7.401 728 HB THR 94 HB THR 94 5.399 -10.824 -8.200 729 HG1 THR 94 1HG THR 94 3.317 -10.859 -7.877 730 HG21 THR 94 3HG2 THR 94 4.811 -12.112 -6.278 731 HG22 THR 94 1HG2 THR 94 6.277 -11.208 -5.848 732 HG23 THR 94 2HG2 THR 94 4.704 -10.674 -5.245 733 H LYS 95 H LYS 95 6.349 -9.114 -9.884 734 HA LYS 95 HA LYS 95 5.366 -6.463 -10.533 735 HB2 LYS 95 1HB LYS 95 6.340 -8.737 -12.269 736 HB3 LYS 95 2HB LYS 95 5.696 -7.217 -12.901 737 HG2 LYS 95 1HG LYS 95 7.348 -5.988 -11.384 738 HG3 LYS 95 2HG LYS 95 8.154 -7.541 -11.155 739 HD2 LYS 95 1HD LYS 95 7.646 -6.202 -13.849 740 HD3 LYS 95 2HD LYS 95 9.146 -6.064 -12.927 741 HE2 LYS 95 1HE LYS 95 9.479 -8.510 -13.029 742 HE3 LYS 95 2HE LYS 95 7.960 -8.682 -13.931 743 HZ1 LYS 95 3HZ LYS 95 8.954 -7.233 -15.640 744 HZ2 LYS 95 1HZ LYS 95 10.406 -7.325 -14.868 745 HZ3 LYS 95 2HZ LYS 95 9.690 -8.667 -15.502 746 H THR 96 H THR 96 3.560 -9.046 -9.549 747 HA THR 96 HA THR 96 1.213 -8.209 -11.177 748 HB THR 96 HB THR 96 1.502 -10.380 -9.081 749 HG1 THR 96 1HG THR 96 2.397 -11.249 -10.715 750 HG21 THR 96 3HG2 THR 96 -0.834 -9.578 -9.182 751 HG22 THR 96 1HG2 THR 96 -0.834 -9.789 -10.950 752 HG23 THR 96 2HG2 THR 96 -0.657 -11.192 -9.862 753 H THR 97 H THR 97 2.792 -7.736 -7.994 754 HA THR 97 HA THR 97 0.344 -6.382 -7.007 755 HB THR 97 HB THR 97 1.618 -6.667 -4.773 756 HG1 THR 97 1HG THR 97 2.779 -8.789 -6.302 757 HG21 THR 97 3HG2 THR 97 0.644 -8.882 -4.447 758 HG22 THR 97 1HG2 THR 97 -0.468 -7.860 -5.367 759 HG23 THR 97 2HG2 THR 97 0.476 -9.111 -6.204 760 H PHE 98 H PHE 98 3.379 -5.689 -8.284 761 HA PHE 98 HA PHE 98 4.008 -3.152 -7.186 762 HB2 PHE 98 1HB PHE 98 5.715 -3.954 -8.502 763 HB3 PHE 98 2HB PHE 98 4.625 -4.769 -9.602 764 HD1 PHE 98 1HD PHE 98 5.484 -1.225 -8.736 765 HD2 PHE 98 2HD PHE 98 4.663 -4.105 -11.827 766 HE1 PHE 98 1HE PHE 98 5.735 0.556 -10.465 767 HE2 PHE 98 2HE PHE 98 4.933 -2.350 -13.535 768 HZ PHE 98 HZ PHE 98 5.458 -0.009 -12.867 769 H LYS 99 H LYS 99 2.350 -3.867 -10.281 770 HA LYS 99 HA LYS 99 1.558 -1.301 -10.897 771 HB2 LYS 99 1HB LYS 99 0.368 -4.009 -11.528 772 HB3 LYS 99 2HB LYS 99 -0.456 -2.547 -12.074 773 HG2 LYS 99 1HG LYS 99 1.838 -1.769 -13.004 774 HG3 LYS 99 2HG LYS 99 2.322 -3.463 -12.838 775 HD2 LYS 99 1HD LYS 99 0.499 -4.129 -14.375 776 HD3 LYS 99 2HD LYS 99 -0.041 -2.417 -14.473 777 HE2 LYS 99 1HE LYS 99 2.188 -1.775 -15.370 778 HE3 LYS 99 2HE LYS 99 2.792 -3.410 -15.117 779 HZ1 LYS 99 3HZ LYS 99 1.312 -4.190 -16.830 780 HZ2 LYS 99 1HZ LYS 99 0.769 -2.630 -17.125 781 HZ3 LYS 99 2HZ LYS 99 2.318 -3.019 -17.393 782 HA PRO 100 HA PRO 100 -2.597 -1.553 -8.666 783 HB2 PRO 100 1HB PRO 100 -3.099 -3.299 -6.660 784 HB3 PRO 100 2HB PRO 100 -3.398 -3.699 -8.374 785 HG2 PRO 100 1HG PRO 100 -0.971 -4.405 -6.702 786 HG3 PRO 100 2HG PRO 100 -1.926 -5.494 -7.755 787 HD2 PRO 100 1HD PRO 100 0.358 -4.388 -8.639 788 HD3 PRO 100 2HD PRO 100 -1.040 -4.555 -9.726 789 H ASN 101 H ASN 101 0.455 -2.255 -6.823 790 HA ASN 101 HA ASN 101 -0.419 -0.915 -4.494 791 HB2 ASN 101 1HB ASN 101 2.149 -2.007 -5.508 792 HB3 ASN 101 2HB ASN 101 2.349 -0.527 -4.644 793 HD21 ASN 101 1HD2 ASN 101 1.710 -3.869 -4.275 794 HD22 ASN 101 2HD2 ASN 101 1.549 -3.890 -2.524 795 H THR 102 H THR 102 0.822 0.244 -7.600 796 HA THR 102 HA THR 102 1.629 2.827 -6.853 797 HB THR 102 HB THR 102 1.382 3.497 -9.042 798 HG1 THR 102 1HG THR 102 -0.120 1.143 -9.653 799 HG21 THR 102 3HG2 THR 102 3.135 1.974 -8.960 800 HG22 THR 102 1HG2 THR 102 2.039 0.570 -9.181 801 HG23 THR 102 2HG2 THR 102 2.296 1.745 -10.479 802 H TRP 103 H TRP 103 -1.585 1.612 -7.449 803 HA TRP 103 HA TRP 103 -3.022 4.122 -7.376 804 HB2 TRP 103 1HB TRP 103 -3.902 1.217 -6.974 805 HB3 TRP 103 2HB TRP 103 -4.986 2.576 -6.998 806 HD1 TRP 103 HD TRP 103 -2.818 0.520 -9.408 807 HE1 TRP 103 1HE TRP 103 -3.651 0.883 -11.783 808 HE3 TRP 103 3HE TRP 103 -6.070 4.266 -8.430 809 HZ2 TRP 103 2HZ TRP 103 -5.825 2.557 -13.047 810 HZ3 TRP 103 3HZ TRP 103 -7.496 5.266 -10.201 811 HH2 TRP 103 HH TRP 103 -7.367 4.381 -12.515 812 H CYS 104 H CYS 104 -2.008 1.757 -4.910 813 HA CYS 104 HA CYS 104 -3.394 3.010 -2.710 814 HB2 CYS 104 1HB CYS 104 -2.671 0.964 -1.997 815 HB3 CYS 104 2HB CYS 104 -1.263 0.952 -3.074 816 HG CYS 104 HG CYS 104 -1.691 2.587 -0.225 817 H LEU 105 H LEU 105 -0.125 3.430 -4.216 818 HA LEU 105 HA LEU 105 0.777 5.221 -2.197 819 HB2 LEU 105 1HB LEU 105 1.646 4.926 -5.097 820 HB3 LEU 105 2HB LEU 105 2.498 5.898 -3.915 821 HG LEU 105 HG LEU 105 2.011 2.930 -3.475 822 HD11 LEU 105 1HD1 LEU 105 4.517 4.134 -4.684 823 HD12 LEU 105 2HD1 LEU 105 4.165 2.432 -4.385 824 HD13 LEU 105 3HD1 LEU 105 3.258 3.320 -5.625 825 HD21 LEU 105 3HD2 LEU 105 3.935 3.096 -1.960 826 HD22 LEU 105 1HD2 LEU 105 4.097 4.832 -2.329 827 HD23 LEU 105 2HD2 LEU 105 2.666 4.229 -1.475 828 H ARG 106 H ARG 106 -0.934 5.716 -5.270 829 HA ARG 106 HA ARG 106 -0.854 8.575 -5.168 830 HB2 ARG 106 1HB ARG 106 -2.821 6.612 -6.463 831 HB3 ARG 106 2HB ARG 106 -2.913 8.382 -6.680 832 HG2 ARG 106 1HG ARG 106 -0.559 8.356 -7.381 833 HG3 ARG 106 2HG ARG 106 -0.549 6.596 -7.388 834 HD2 ARG 106 1HD ARG 106 -1.629 6.534 -9.416 835 HD3 ARG 106 2HD ARG 106 -2.798 7.770 -8.916 836 HE ARG 106 HE ARG 106 -0.580 9.234 -9.212 837 HH11 ARG 106 2HH2 ARG 106 -2.595 7.303 -11.344 838 HH12 ARG 106 1HH2 ARG 106 -2.099 8.108 -12.807 839 HH21 ARG 106 2HH1 ARG 106 -0.044 10.442 -11.085 840 HH22 ARG 106 1HH1 ARG 106 -0.444 9.869 -12.648 841 H CYS 107 H CYS 107 -2.729 6.431 -3.131 842 HA CYS 107 HA CYS 107 -4.443 8.711 -2.291 843 HB2 CYS 107 1HB CYS 107 -5.297 6.216 -2.734 844 HB3 CYS 107 2HB CYS 107 -4.692 5.970 -1.099 845 HG CYS 107 HG CYS 107 -5.906 8.150 -0.109 846 H LEU 108 H LEU 108 -1.392 7.350 -1.555 847 HA LEU 108 HA LEU 108 -1.535 8.316 1.257 848 HB2 LEU 108 1HB LEU 108 0.619 6.833 -0.280 849 HB3 LEU 108 2HB LEU 108 0.731 7.352 1.409 850 HG LEU 108 HG LEU 108 -1.334 5.354 0.384 851 HD11 LEU 108 1HD1 LEU 108 0.907 4.492 0.093 852 HD12 LEU 108 2HD1 LEU 108 1.337 4.909 1.766 853 HD13 LEU 108 3HD1 LEU 108 0.117 3.655 1.435 854 HD21 LEU 108 3HD2 LEU 108 -1.627 4.802 2.766 855 HD22 LEU 108 1HD2 LEU 108 -0.465 6.082 3.220 856 HD23 LEU 108 2HD2 LEU 108 -2.013 6.497 2.468 857 H TRP 109 H TRP 109 -0.609 9.242 -1.971 858 HA TRP 109 HA TRP 109 1.104 11.481 -1.437 859 HB2 TRP 109 1HB TRP 109 -1.080 10.975 -3.494 860 HB3 TRP 109 2HB TRP 109 0.027 12.317 -3.545 861 HD1 TRP 109 HD TRP 109 2.071 9.418 -2.627 862 HE1 TRP 109 1HE TRP 109 3.279 8.462 -4.628 863 HE3 TRP 109 3HE TRP 109 -0.577 11.689 -6.333 864 HZ2 TRP 109 2HZ TRP 109 3.058 8.530 -7.527 865 HZ3 TRP 109 3HZ TRP 109 -0.023 11.306 -8.700 866 HH2 TRP 109 HH TRP 109 1.756 9.674 -9.330 867 H SER 110 H SER 110 0.125 13.783 -1.817 868 HA SER 110 HA SER 110 -2.179 14.214 0.003 869 HB2 SER 110 1HB SER 110 0.143 15.108 0.634 870 HB3 SER 110 2HB SER 110 0.037 16.155 -0.783 871 HG SER 110 HG SER 110 -1.603 17.254 0.152 872 H THR 111 H THR 111 -3.555 15.993 -0.838 873 HA THR 111 HA THR 111 -3.164 16.709 -3.722 874 HB THR 111 HB THR 111 -5.419 17.819 -3.495 875 HG1 THR 111 1HG THR 111 -5.385 16.303 -1.066 876 HG21 THR 111 3HG2 THR 111 -5.312 14.802 -3.163 877 HG22 THR 111 1HG2 THR 111 -6.692 15.739 -3.774 878 HG23 THR 111 2HG2 THR 111 -5.168 15.724 -4.669 879 H LYS 112 H LYS 112 -3.445 19.235 -3.916 880 HA LYS 112 HA LYS 112 -2.124 20.901 -3.963 881 HB2 LYS 112 1HB LYS 112 -3.775 22.000 -3.025 882 HB3 LYS 112 2HB LYS 112 -3.798 20.969 -1.596 883 HG2 LYS 112 1HG LYS 112 -3.276 23.019 -0.809 884 HG3 LYS 112 2HG LYS 112 -1.803 22.066 -0.786 885 HD2 LYS 112 1HD LYS 112 -1.117 23.374 -2.908 886 HD3 LYS 112 2HD LYS 112 -2.475 24.462 -2.498 887 HE2 LYS 112 1HE LYS 112 -1.416 24.344 -0.064 888 HE3 LYS 112 2HE LYS 112 0.036 23.801 -0.899 889 HZ1 LYS 112 3HZ LYS 112 -0.106 25.959 -2.163 890 HZ2 LYS 112 1HZ LYS 112 -1.364 26.392 -1.181 891 HZ3 LYS 112 2HZ LYS 112 0.067 26.150 -0.530 892 HA PRO 113 HA PRO 113 1.820 19.549 -2.140 893 HB2 PRO 113 1HB PRO 113 3.445 20.485 -4.104 894 HB3 PRO 113 2HB PRO 113 2.468 19.012 -4.323 895 HG2 PRO 113 1HG PRO 113 1.853 21.792 -5.305 896 HG3 PRO 113 2HG PRO 113 1.731 20.244 -6.193 897 HD2 PRO 113 1HD PRO 113 -0.396 21.499 -4.860 898 HD3 PRO 113 2HD PRO 113 -0.329 19.731 -5.178 899 H VAL 114 H VAL 114 3.470 20.816 -1.126 900 HA VAL 114 HA VAL 114 2.736 23.638 -0.600 901 HB VAL 114 HB VAL 114 1.300 22.347 0.738 902 HG11 VAL 114 1HG1 VAL 114 2.227 20.165 0.757 903 HG12 VAL 114 2HG1 VAL 114 3.711 20.698 1.548 904 HG13 VAL 114 3HG1 VAL 114 2.175 20.682 2.443 905 HG21 VAL 114 3HG2 VAL 114 1.883 23.033 2.998 906 HG22 VAL 114 1HG2 VAL 114 3.565 23.329 2.515 907 HG23 VAL 114 2HG2 VAL 114 2.256 24.309 1.826 908 H ASP 115 H ASP 115 4.635 23.757 -1.852 909 HA ASP 115 HA ASP 115 6.611 24.436 -2.219 910 HB2 ASP 115 1HB ASP 115 6.996 24.266 0.766 911 HB3 ASP 115 2HB ASP 115 8.266 24.750 -0.358 912 H THR 116 H THR 116 5.926 21.490 -1.220 913 HA THR 116 HA THR 116 8.539 20.164 -1.572 914 HB THR 116 HB THR 116 5.702 19.212 -0.997 915 HG1 THR 116 1HG THR 116 6.703 20.575 0.586 916 HG21 THR 116 3HG2 THR 116 6.770 17.131 -0.269 917 HG22 THR 116 1HG2 THR 116 7.176 17.428 -1.961 918 HG23 THR 116 2HG2 THR 116 8.382 17.762 -0.697 Start of MODEL 7 1 H1 MET 1 H MET 1 -14.843 -23.268 -4.093 2 HA MET 1 HA MET 1 -17.198 -21.507 -4.477 3 HB2 MET 1 1HB MET 1 -17.631 -23.615 -5.566 4 HB3 MET 1 2HB MET 1 -17.135 -24.529 -4.138 5 HG2 MET 1 1HG MET 1 -19.034 -23.669 -2.880 6 HG3 MET 1 2HG MET 1 -19.447 -22.565 -4.195 7 HE1 MET 1 3HE MET 1 -22.386 -25.233 -4.030 8 HE2 MET 1 1HE MET 1 -21.436 -24.542 -2.694 9 HE3 MET 1 2HE MET 1 -22.016 -23.495 -4.011 10 H TYR 2 H TYR 2 -17.149 -20.221 -2.625 11 HA TYR 2 HA TYR 2 -17.104 -21.545 -0.045 12 HB2 TYR 2 1HB TYR 2 -14.655 -21.024 -1.041 13 HB3 TYR 2 2HB TYR 2 -15.026 -19.402 -0.503 14 HD1 TYR 2 2HD TYR 2 -15.688 -22.846 0.988 15 HD2 TYR 2 1HD TYR 2 -13.660 -19.057 1.362 16 HE1 TYR 2 2HE TYR 2 -14.829 -23.513 3.187 17 HE2 TYR 2 1HE TYR 2 -12.768 -19.753 3.556 18 HH TYR 2 HH TYR 2 -12.741 -21.371 5.189 19 H THR 3 H THR 3 -17.081 -19.637 1.704 20 HA THR 3 HA THR 3 -18.844 -17.425 0.815 21 HB THR 3 HB THR 3 -19.482 -19.359 3.085 22 HG1 THR 3 1HG THR 3 -21.002 -19.283 0.749 23 HG21 THR 3 3HG2 THR 3 -21.085 -17.150 1.738 24 HG22 THR 3 1HG2 THR 3 -21.844 -18.446 2.702 25 HG23 THR 3 2HG2 THR 3 -20.712 -17.338 3.450 26 H GLU 4 H GLU 4 -15.967 -17.840 1.935 27 HA GLU 4 HA GLU 4 -15.899 -16.557 4.521 28 HB2 GLU 4 1HB GLU 4 -14.154 -18.012 3.797 29 HB3 GLU 4 2HB GLU 4 -13.790 -16.992 2.382 30 HG2 GLU 4 1HG GLU 4 -13.092 -15.173 3.909 31 HG3 GLU 4 2HG GLU 4 -13.503 -16.184 5.301 32 H GLN 5 H GLN 5 -16.536 -14.499 4.779 33 HA GLN 5 HA GLN 5 -16.944 -12.647 2.637 34 HB2 GLN 5 1HB GLN 5 -16.847 -12.348 5.667 35 HB3 GLN 5 2HB GLN 5 -17.383 -11.067 4.588 36 HG2 GLN 5 1HG GLN 5 -19.356 -12.195 4.012 37 HG3 GLN 5 2HG GLN 5 -18.713 -13.779 4.377 38 HE21 GLN 5 1HE2 GLN 5 -19.649 -10.695 6.060 39 HE22 GLN 5 2HE2 GLN 5 -20.319 -11.557 7.442 40 HA PRO 6 HA PRO 6 -12.791 -11.038 2.553 41 HB2 PRO 6 1HB PRO 6 -13.091 -8.607 1.335 42 HB3 PRO 6 2HB PRO 6 -13.374 -10.143 0.462 43 HG2 PRO 6 1HG PRO 6 -15.433 -8.370 1.790 44 HG3 PRO 6 2HG PRO 6 -15.465 -9.037 0.125 45 HD2 PRO 6 1HD PRO 6 -16.774 -10.270 2.206 46 HD3 PRO 6 2HD PRO 6 -15.976 -11.223 0.916 47 H ILE 7 H ILE 7 -11.404 -9.581 3.563 48 HA ILE 7 HA ILE 7 -12.157 -9.010 6.184 49 HB ILE 7 HB ILE 7 -9.628 -8.239 4.697 50 HG12 ILE 7 1HG1 ILE 7 -10.358 -10.697 6.364 51 HG13 ILE 7 2HG1 ILE 7 -10.059 -10.647 4.624 52 HG21 ILE 7 1HG2 ILE 7 -8.540 -8.011 6.829 53 HG22 ILE 7 2HG2 ILE 7 -9.974 -7.000 6.884 54 HG23 ILE 7 3HG2 ILE 7 -9.989 -8.579 7.692 55 HD11 ILE 7 3HD1 ILE 7 -8.101 -11.534 5.610 56 HD12 ILE 7 1HD1 ILE 7 -7.688 -9.875 5.145 57 HD13 ILE 7 2HD1 ILE 7 -8.024 -10.269 6.850 58 H ASP 8 H ASP 8 -13.860 -7.678 6.070 59 HA ASP 8 HA ASP 8 -15.244 -5.978 5.787 60 HB2 ASP 8 1HB ASP 8 -13.213 -5.159 7.513 61 HB3 ASP 8 2HB ASP 8 -13.403 -3.792 6.465 62 H LEU 9 H LEU 9 -13.434 -6.568 3.510 63 HA LEU 9 HA LEU 9 -12.199 -4.231 2.885 64 HB2 LEU 9 1HB LEU 9 -11.532 -6.741 2.411 65 HB3 LEU 9 2HB LEU 9 -12.302 -6.454 0.849 66 HG LEU 9 HG LEU 9 -10.789 -4.347 0.677 67 HD11 LEU 9 1HD1 LEU 9 -9.317 -5.844 2.900 68 HD12 LEU 9 2HD1 LEU 9 -8.646 -4.523 1.937 69 HD13 LEU 9 3HD1 LEU 9 -10.006 -4.216 3.028 70 HD21 LEU 9 3HD2 LEU 9 -9.458 -7.080 0.766 71 HD22 LEU 9 1HD2 LEU 9 -10.395 -6.425 -0.590 72 HD23 LEU 9 2HD2 LEU 9 -8.895 -5.629 -0.103 73 H VAL 10 H VAL 10 -12.546 -2.541 1.607 74 HA VAL 10 HA VAL 10 -14.776 -2.648 -0.356 75 HB VAL 10 HB VAL 10 -15.202 -0.258 0.393 76 HG11 VAL 10 1HG1 VAL 10 -15.924 -2.654 2.126 77 HG12 VAL 10 2HG1 VAL 10 -16.790 -1.100 2.123 78 HG13 VAL 10 3HG1 VAL 10 -16.794 -2.123 0.665 79 HG21 VAL 10 3HG2 VAL 10 -13.218 -0.197 1.930 80 HG22 VAL 10 1HG2 VAL 10 -14.776 0.261 2.682 81 HG23 VAL 10 2HG2 VAL 10 -14.056 -1.330 3.006 82 HA PRO 11 HA PRO 11 -11.484 -1.000 -2.888 83 HB2 PRO 11 1HB PRO 11 -13.025 -0.468 -5.112 84 HB3 PRO 11 2HB PRO 11 -12.148 -1.960 -4.753 85 HG2 PRO 11 1HG PRO 11 -15.039 -1.590 -4.721 86 HG3 PRO 11 2HG PRO 11 -14.091 -3.078 -4.651 87 HD2 PRO 11 1HD PRO 11 -15.374 -1.659 -2.449 88 HD3 PRO 11 2HD PRO 11 -14.488 -3.208 -2.416 89 H THR 12 H THR 12 -10.882 1.125 -3.451 90 HA THR 12 HA THR 12 -12.809 3.278 -3.198 91 HB THR 12 HB THR 12 -11.973 2.900 -0.822 92 HG1 THR 12 1HG THR 12 -12.649 4.900 -1.336 93 HG21 THR 12 3HG2 THR 12 -9.268 3.550 -2.071 94 HG22 THR 12 1HG2 THR 12 -9.635 3.687 -0.348 95 HG23 THR 12 2HG2 THR 12 -9.753 2.119 -1.140 96 H GLN 13 H GLN 13 -10.877 5.354 -3.427 97 HA GLN 13 HA GLN 13 -9.211 4.731 -5.716 98 HB2 GLN 13 1HB GLN 13 -10.342 6.413 -7.178 99 HB3 GLN 13 2HB GLN 13 -11.312 4.991 -6.871 100 HG2 GLN 13 1HG GLN 13 -11.844 7.222 -4.964 101 HG3 GLN 13 2HG GLN 13 -12.109 7.630 -6.652 102 HE21 GLN 13 1HE2 GLN 13 -13.362 5.732 -3.954 103 HE22 GLN 13 2HE2 GLN 13 -14.671 4.989 -4.855 104 HA PRO 14 HA PRO 14 -7.294 8.443 -3.886 105 HB2 PRO 14 1HB PRO 14 -5.979 9.604 -5.957 106 HB3 PRO 14 2HB PRO 14 -5.479 8.030 -5.268 107 HG2 PRO 14 1HG PRO 14 -7.184 8.509 -7.729 108 HG3 PRO 14 2HG PRO 14 -5.745 7.454 -7.573 109 HD2 PRO 14 1HD PRO 14 -8.281 6.500 -7.370 110 HD3 PRO 14 2HD PRO 14 -6.967 5.830 -6.376 111 H LEU 15 H LEU 15 -7.287 10.821 -4.169 112 HA LEU 15 HA LEU 15 -9.895 11.811 -5.260 113 HB2 LEU 15 1HB LEU 15 -10.042 13.226 -3.537 114 HB3 LEU 15 2HB LEU 15 -9.371 11.835 -2.764 115 HG LEU 15 HG LEU 15 -7.184 13.571 -3.584 116 HD11 LEU 15 1HD1 LEU 15 -8.787 15.415 -3.526 117 HD12 LEU 15 2HD1 LEU 15 -9.515 14.785 -2.009 118 HD13 LEU 15 3HD1 LEU 15 -7.913 15.475 -1.974 119 HD21 LEU 15 3HD2 LEU 15 -6.625 13.542 -1.226 120 HD22 LEU 15 1HD2 LEU 15 -8.245 12.944 -0.815 121 HD23 LEU 15 2HD2 LEU 15 -7.124 11.923 -1.739 122 HA PRO 16 HA PRO 16 -7.953 14.139 -8.246 123 HB2 PRO 16 1HB PRO 16 -9.367 16.523 -8.289 124 HB3 PRO 16 2HB PRO 16 -9.990 14.963 -8.899 125 HG2 PRO 16 1HG PRO 16 -10.669 16.382 -6.354 126 HG3 PRO 16 2HG PRO 16 -11.649 15.211 -7.314 127 HD2 PRO 16 1HD PRO 16 -10.217 14.726 -4.983 128 HD3 PRO 16 2HD PRO 16 -10.956 13.509 -6.034 129 H ASN 17 H ASN 17 -6.447 15.823 -8.679 130 HA ASN 17 HA ASN 17 -4.770 17.246 -8.324 131 HB2 ASN 17 1HB ASN 17 -5.790 18.201 -5.655 132 HB3 ASN 17 2HB ASN 17 -4.816 19.041 -6.845 133 HD21 ASN 17 1HD2 ASN 17 -8.013 18.154 -5.823 134 HD22 ASN 17 2HD2 ASN 17 -8.880 19.134 -6.984 135 H ALA 18 H ALA 18 -5.481 14.837 -5.940 136 HA ALA 18 HA ALA 18 -3.350 14.786 -4.224 137 HB1 ALA 18 1HB ALA 18 -4.282 12.442 -5.934 138 HB2 ALA 18 2HB ALA 18 -3.382 12.339 -4.416 139 HB3 ALA 18 3HB ALA 18 -5.020 12.989 -4.407 140 H SER 19 H SER 19 -1.133 14.648 -4.279 141 HA SER 19 HA SER 19 0.350 14.308 -6.756 142 HB2 SER 19 1HB SER 19 0.121 16.641 -6.712 143 HB3 SER 19 2HB SER 19 0.176 16.754 -4.940 144 HG SER 19 HG SER 19 2.420 16.273 -5.057 145 H PHE 20 H PHE 20 2.331 13.531 -6.224 146 HA PHE 20 HA PHE 20 2.674 12.255 -3.718 147 HB2 PHE 20 1HB PHE 20 3.682 11.385 -5.858 148 HB3 PHE 20 2HB PHE 20 4.678 12.819 -5.960 149 HD1 PHE 20 2HD PHE 20 4.055 10.860 -2.795 150 HD2 PHE 20 1HD PHE 20 6.817 11.740 -6.000 151 HE1 PHE 20 2HE PHE 20 5.850 9.683 -1.576 152 HE2 PHE 20 1HE PHE 20 8.597 10.559 -4.762 153 HZ PHE 20 HZ PHE 20 8.089 9.518 -2.548 154 H ASP 21 H ASP 21 4.643 12.756 -2.343 155 HA ASP 21 HA ASP 21 4.975 15.517 -1.715 156 HB2 ASP 21 1HB ASP 21 2.649 15.156 -1.041 157 HB3 ASP 21 2HB ASP 21 3.021 13.576 -0.356 158 H ASN 22 H ASN 22 6.667 15.389 0.238 159 HA ASN 22 HA ASN 22 8.290 13.080 -0.307 160 HB2 ASN 22 1HB ASN 22 8.878 15.702 0.413 161 HB3 ASN 22 2HB ASN 22 9.303 14.827 1.850 162 HD21 ASN 22 1HD2 ASN 22 11.642 14.863 1.745 163 HD22 ASN 22 2HD2 ASN 22 12.367 13.979 0.441 164 H PHE 23 H PHE 23 6.002 12.166 1.037 165 HA PHE 23 HA PHE 23 6.826 11.286 3.700 166 HB2 PHE 23 1HB PHE 23 4.972 9.837 3.665 167 HB3 PHE 23 2HB PHE 23 4.401 11.365 3.064 168 HD1 PHE 23 1HD PHE 23 5.262 7.851 2.151 169 HD2 PHE 23 2HD PHE 23 3.451 11.542 0.836 170 HE1 PHE 23 1HE PHE 23 4.340 6.688 0.186 171 HE2 PHE 23 2HE PHE 23 2.440 10.351 -1.078 172 HZ PHE 23 HZ PHE 23 2.879 7.905 -1.415 173 H LYS 24 H LYS 24 7.809 9.419 4.158 174 HA LYS 24 HA LYS 24 8.790 7.601 2.002 175 HB2 LYS 24 1HB LYS 24 10.488 8.363 3.568 176 HB3 LYS 24 2HB LYS 24 9.493 7.970 4.955 177 HG2 LYS 24 1HG LYS 24 9.785 5.617 4.536 178 HG3 LYS 24 2HG LYS 24 10.547 5.944 2.962 179 HD2 LYS 24 1HD LYS 24 12.385 7.163 4.435 180 HD3 LYS 24 2HD LYS 24 11.646 6.249 5.773 181 HE2 LYS 24 1HE LYS 24 11.824 4.147 4.374 182 HE3 LYS 24 2HE LYS 24 12.739 5.078 3.179 183 HZ1 LYS 24 3HZ LYS 24 13.569 4.561 5.981 184 HZ2 LYS 24 1HZ LYS 24 14.199 3.876 4.645 185 HZ3 LYS 24 2HZ LYS 24 14.410 5.482 4.872 186 H LEU 25 H LEU 25 8.286 5.351 2.438 187 HA LEU 25 HA LEU 25 6.489 4.893 4.727 188 HB2 LEU 25 1HB LEU 25 5.302 3.038 3.547 189 HB3 LEU 25 2HB LEU 25 4.893 4.682 3.097 190 HG LEU 25 HG LEU 25 6.287 4.492 1.046 191 HD11 LEU 25 1HD1 LEU 25 7.825 2.670 1.653 192 HD12 LEU 25 2HD1 LEU 25 6.462 1.539 1.829 193 HD13 LEU 25 3HD1 LEU 25 6.913 2.227 0.247 194 HD21 LEU 25 3HD2 LEU 25 4.700 3.150 -0.203 195 HD22 LEU 25 1HD2 LEU 25 4.126 2.372 1.295 196 HD23 LEU 25 2HD2 LEU 25 3.852 4.111 1.012 197 H THR 26 H THR 26 6.697 2.743 5.712 198 HA THR 26 HA THR 26 9.295 1.433 5.167 199 HB THR 26 HB THR 26 9.814 1.570 7.564 200 HG1 THR 26 1HG THR 26 8.418 3.305 8.681 201 HG21 THR 26 3HG2 THR 26 10.625 3.403 6.019 202 HG22 THR 26 1HG2 THR 26 9.272 4.417 6.593 203 HG23 THR 26 2HG2 THR 26 10.514 3.861 7.721 204 H CYS 27 H CYS 27 9.382 -0.705 6.422 205 HA CYS 27 HA CYS 27 7.142 -1.587 7.850 206 HB2 CYS 27 1HB CYS 27 6.075 -2.010 5.781 207 HB3 CYS 27 2HB CYS 27 7.499 -2.619 5.043 208 HG CYS 27 HG CYS 27 5.385 -4.345 5.526 209 H SER 28 H SER 28 7.645 -3.797 8.704 210 HA SER 28 HA SER 28 10.292 -4.149 9.548 211 HB2 SER 28 1HB SER 28 8.199 -6.281 9.279 212 HB3 SER 28 2HB SER 28 9.595 -6.308 10.367 213 HG SER 28 HG SER 28 8.684 -4.427 11.390 214 H ASN 29 H ASN 29 8.596 -5.682 6.758 215 HA ASN 29 HA ASN 29 11.134 -6.878 5.851 216 HB2 ASN 29 1HB ASN 29 9.036 -7.974 5.168 217 HB3 ASN 29 2HB ASN 29 8.570 -6.512 4.271 218 HD21 ASN 29 1HD2 ASN 29 11.311 -8.860 4.590 219 HD22 ASN 29 2HD2 ASN 29 11.631 -8.949 2.881 220 H THR 30 H THR 30 12.674 -5.341 5.492 221 HA THR 30 HA THR 30 12.027 -2.681 4.924 222 HB THR 30 HB THR 30 14.646 -2.760 4.298 223 HG1 THR 30 1HG THR 30 14.549 -5.186 4.447 224 HG21 THR 30 3HG2 THR 30 13.378 -3.199 7.049 225 HG22 THR 30 1HG2 THR 30 15.023 -2.596 6.789 226 HG23 THR 30 2HG2 THR 30 13.648 -1.638 6.239 227 H LYS 31 H LYS 31 13.065 -5.272 2.641 228 HA LYS 31 HA LYS 31 13.281 -3.644 0.361 229 HB2 LYS 31 1HB LYS 31 14.122 -5.880 0.227 230 HB3 LYS 31 2HB LYS 31 12.556 -6.566 0.629 231 HG2 LYS 31 1HG LYS 31 12.853 -6.923 -1.725 232 HG3 LYS 31 2HG LYS 31 11.641 -5.683 -1.614 233 HD2 LYS 31 1HD LYS 31 12.968 -4.810 -3.265 234 HD3 LYS 31 2HD LYS 31 13.703 -4.013 -1.864 235 HE2 LYS 31 1HE LYS 31 15.343 -5.950 -1.758 236 HE3 LYS 31 2HE LYS 31 14.624 -6.561 -3.258 237 HZ1 LYS 31 3HZ LYS 31 16.106 -4.032 -2.893 238 HZ2 LYS 31 1HZ LYS 31 16.537 -5.303 -3.826 239 HZ3 LYS 31 2HZ LYS 31 15.236 -4.359 -4.233 240 H PHE 32 H PHE 32 10.356 -5.108 1.851 241 HA PHE 32 HA PHE 32 8.624 -4.759 -0.334 242 HB2 PHE 32 1HB PHE 32 8.128 -5.968 1.823 243 HB3 PHE 32 2HB PHE 32 8.054 -4.410 2.651 244 HD1 PHE 32 1HD PHE 32 6.609 -5.941 -0.461 245 HD2 PHE 32 2HD PHE 32 5.853 -3.880 3.252 246 HE1 PHE 32 1HE PHE 32 4.172 -6.035 -0.909 247 HE2 PHE 32 2HE PHE 32 3.428 -3.958 2.799 248 HZ PHE 32 HZ PHE 32 2.580 -5.032 0.746 249 H ALA 33 H ALA 33 9.215 -2.486 2.366 250 HA ALA 33 HA ALA 33 7.793 -0.311 1.125 251 HB1 ALA 33 1HB ALA 33 9.985 -0.382 3.267 252 HB2 ALA 33 2HB ALA 33 8.986 1.031 2.860 253 HB3 ALA 33 3HB ALA 33 8.232 -0.417 3.551 254 H ASP 34 H ASP 34 11.120 -1.472 0.887 255 HA ASP 34 HA ASP 34 12.344 0.901 -0.149 256 HB2 ASP 34 1HB ASP 34 13.371 -1.344 0.785 257 HB3 ASP 34 2HB ASP 34 13.247 -1.899 -0.872 258 H ASP 35 H ASP 35 10.889 -1.926 -1.732 259 HA ASP 35 HA ASP 35 11.358 -1.163 -4.457 260 HB2 ASP 35 1HB ASP 35 10.844 -3.488 -3.574 261 HB3 ASP 35 2HB ASP 35 9.189 -2.944 -3.474 262 H LEU 36 H LEU 36 8.505 -0.952 -2.309 263 HA LEU 36 HA LEU 36 6.765 0.467 -4.035 264 HB2 LEU 36 1HB LEU 36 7.018 0.097 -1.079 265 HB3 LEU 36 2HB LEU 36 6.060 1.462 -1.655 266 HG LEU 36 HG LEU 36 4.521 0.144 -2.813 267 HD11 LEU 36 1HD1 LEU 36 5.942 -1.633 -3.804 268 HD12 LEU 36 2HD1 LEU 36 6.166 -2.345 -2.195 269 HD13 LEU 36 3HD1 LEU 36 4.566 -2.323 -2.953 270 HD21 LEU 36 3HD2 LEU 36 5.187 -1.262 -0.201 271 HD22 LEU 36 1HD2 LEU 36 4.338 0.309 -0.337 272 HD23 LEU 36 2HD2 LEU 36 3.582 -1.159 -0.974 273 H ASN 37 H ASN 37 9.260 1.740 -1.722 274 HA ASN 37 HA ASN 37 8.695 4.445 -2.287 275 HB2 ASN 37 1HB ASN 37 11.042 2.923 -1.126 276 HB3 ASN 37 2HB ASN 37 11.209 4.609 -1.470 277 HD21 ASN 37 1HD2 ASN 37 11.297 3.221 1.088 278 HD22 ASN 37 2HD2 ASN 37 9.932 3.745 2.089 279 H GLN 38 H GLN 38 10.752 2.036 -3.972 280 HA GLN 38 HA GLN 38 12.246 3.851 -5.596 281 HB2 GLN 38 1HB GLN 38 11.975 0.987 -5.154 282 HB3 GLN 38 2HB GLN 38 11.843 1.300 -6.871 283 HG2 GLN 38 1HG GLN 38 14.080 2.597 -5.293 284 HG3 GLN 38 2HG GLN 38 14.148 0.885 -5.701 285 HE21 GLN 38 1HE2 GLN 38 15.983 1.258 -7.038 286 HE22 GLN 38 2HE2 GLN 38 15.782 1.794 -8.690 287 H MET 39 H MET 39 9.064 2.181 -5.891 288 HA MET 39 HA MET 39 8.596 2.963 -8.555 289 HB2 MET 39 1HB MET 39 6.572 2.713 -6.294 290 HB3 MET 39 2HB MET 39 6.188 2.742 -8.001 291 HG2 MET 39 1HG MET 39 7.050 0.595 -8.374 292 HG3 MET 39 2HG MET 39 7.997 0.589 -6.899 293 HE1 MET 39 3HE MET 39 4.252 1.122 -7.952 294 HE2 MET 39 1HE MET 39 3.404 0.654 -6.449 295 HE3 MET 39 2HE MET 39 4.473 2.065 -6.462 296 H THR 40 H THR 40 7.626 4.553 -5.464 297 HA THR 40 HA THR 40 6.440 6.782 -6.665 298 HB THR 40 HB THR 40 6.507 7.738 -4.395 299 HG1 THR 40 1HG THR 40 8.517 5.849 -4.043 300 HG21 THR 40 3HG2 THR 40 4.839 5.995 -4.988 301 HG22 THR 40 1HG2 THR 40 5.918 4.739 -4.382 302 HG23 THR 40 2HG2 THR 40 5.287 5.938 -3.264 303 H GLY 41 H GLY 41 9.862 6.297 -5.895 304 HA2 GLY 41 1HA GLY 41 11.637 7.657 -6.604 305 HA3 GLY 41 2HA GLY 41 10.527 8.985 -6.928 306 H PHE 42 H PHE 42 9.990 7.463 -3.867 307 HA PHE 42 HA PHE 42 10.213 9.770 -2.340 308 HB2 PHE 42 1HB PHE 42 9.063 7.977 -1.289 309 HB3 PHE 42 2HB PHE 42 10.333 6.830 -1.694 310 HD1 PHE 42 2HD PHE 42 9.981 10.059 0.281 311 HD2 PHE 42 1HD PHE 42 11.830 6.159 -0.026 312 HE1 PHE 42 2HE PHE 42 11.550 10.655 2.024 313 HE2 PHE 42 1HE PHE 42 13.286 6.707 1.858 314 HZ PHE 42 HZ PHE 42 13.211 8.962 2.858 315 H THR 43 H THR 43 11.819 10.949 -1.287 316 HA THR 43 HA THR 43 14.554 9.864 -1.159 317 HB THR 43 HB THR 43 13.591 12.294 -2.750 318 HG1 THR 43 1HG THR 43 13.636 10.434 -3.937 319 HG21 THR 43 3HG2 THR 43 16.423 11.618 -1.874 320 HG22 THR 43 1HG2 THR 43 16.021 12.739 -3.191 321 HG23 THR 43 2HG2 THR 43 15.475 13.097 -1.549 322 H LYS 44 H LYS 44 15.690 10.749 0.573 323 HA LYS 44 HA LYS 44 14.038 12.032 2.612 324 HB2 LYS 44 1HB LYS 44 16.734 10.715 2.352 325 HB3 LYS 44 2HB LYS 44 16.599 11.887 3.640 326 HG2 LYS 44 1HG LYS 44 14.269 10.450 3.978 327 HG3 LYS 44 2HG LYS 44 15.342 9.200 3.340 328 HD2 LYS 44 1HD LYS 44 16.824 9.488 5.277 329 HD3 LYS 44 2HD LYS 44 15.916 10.938 5.742 330 HE2 LYS 44 1HE LYS 44 13.824 9.329 5.728 331 HE3 LYS 44 2HE LYS 44 15.013 8.043 5.876 332 HZ1 LYS 44 3HZ LYS 44 15.586 8.796 8.006 333 HZ2 LYS 44 1HZ LYS 44 14.967 10.301 7.779 334 HZ3 LYS 44 2HZ LYS 44 13.971 8.978 7.946 335 HA PRO 45 HA PRO 45 15.151 13.019 4.604 336 HB2 PRO 45 1HB PRO 45 14.202 15.153 5.868 337 HB3 PRO 45 2HB PRO 45 15.973 14.917 5.651 338 HG2 PRO 45 1HG PRO 45 14.093 16.698 4.077 339 HG3 PRO 45 2HG PRO 45 15.753 17.065 4.626 340 HD2 PRO 45 1HD PRO 45 15.164 16.208 2.070 341 HD3 PRO 45 2HD PRO 45 16.705 15.810 2.877 342 H ALA 46 H ALA 46 13.227 11.961 5.117 343 HA ALA 46 HA ALA 46 10.943 12.657 3.473 344 HB1 ALA 46 1HB ALA 46 10.048 10.600 4.224 345 HB2 ALA 46 2HB ALA 46 11.784 10.250 4.208 346 HB3 ALA 46 3HB ALA 46 10.978 10.587 5.737 347 H SER 47 H SER 47 9.427 14.155 4.229 348 HA SER 47 HA SER 47 9.639 15.393 6.799 349 HB2 SER 47 1HB SER 47 8.619 16.349 4.660 350 HB3 SER 47 2HB SER 47 7.185 15.357 4.990 351 HG SER 47 HG SER 47 7.967 17.719 6.026 352 H ARG 48 H ARG 48 8.006 12.483 5.732 353 HA ARG 48 HA ARG 48 7.241 11.810 8.445 354 HB2 ARG 48 1HB ARG 48 4.926 10.990 7.297 355 HB3 ARG 48 2HB ARG 48 5.094 12.522 8.142 356 HG2 ARG 48 1HG ARG 48 5.321 13.765 6.107 357 HG3 ARG 48 2HG ARG 48 5.484 12.289 5.140 358 HD2 ARG 48 1HD ARG 48 3.214 11.673 5.527 359 HD3 ARG 48 2HD ARG 48 2.993 12.958 6.720 360 HE ARG 48 HE ARG 48 3.444 13.405 3.773 361 HH11 ARG 48 2HH2 ARG 48 2.485 14.842 6.911 362 HH12 ARG 48 1HH2 ARG 48 1.687 16.177 6.146 363 HH21 ARG 48 2HH1 ARG 48 2.783 15.341 2.918 364 HH22 ARG 48 1HH1 ARG 48 1.815 16.449 3.820 365 H GLU 49 H GLU 49 6.519 9.514 8.489 366 HA GLU 49 HA GLU 49 7.770 7.797 6.441 367 HB2 GLU 49 1HB GLU 49 8.673 8.030 9.323 368 HB3 GLU 49 2HB GLU 49 8.969 6.598 8.321 369 HG2 GLU 49 1HG GLU 49 10.383 7.715 6.845 370 HG3 GLU 49 2HG GLU 49 9.854 9.298 7.351 371 H LEU 50 H LEU 50 5.863 6.836 6.018 372 HA LEU 50 HA LEU 50 3.994 6.120 8.191 373 HB2 LEU 50 1HB LEU 50 3.728 5.702 5.186 374 HB3 LEU 50 2HB LEU 50 2.502 5.399 6.400 375 HG LEU 50 HG LEU 50 1.817 7.348 5.630 376 HD11 LEU 50 1HD1 LEU 50 2.184 9.217 7.111 377 HD12 LEU 50 2HD1 LEU 50 2.157 7.726 8.056 378 HD13 LEU 50 3HD1 LEU 50 3.707 8.521 7.692 379 HD21 LEU 50 3HD2 LEU 50 3.015 9.208 4.788 380 HD22 LEU 50 1HD2 LEU 50 4.559 8.490 5.326 381 HD23 LEU 50 2HD2 LEU 50 3.587 7.728 4.031 382 H SER 51 H SER 51 3.848 4.279 9.046 383 HA SER 51 HA SER 51 5.590 2.015 8.099 384 HB2 SER 51 1HB SER 51 4.037 2.515 10.675 385 HB3 SER 51 2HB SER 51 4.859 0.992 10.275 386 HG SER 51 HG SER 51 6.034 3.559 10.632 387 H VAL 52 H VAL 52 4.834 0.030 7.410 388 HA VAL 52 HA VAL 52 1.874 -0.240 7.210 389 HB VAL 52 HB VAL 52 4.142 -1.392 5.580 390 HG11 VAL 52 1HG1 VAL 52 2.381 -2.039 3.968 391 HG12 VAL 52 2HG1 VAL 52 2.079 -2.761 5.540 392 HG13 VAL 52 3HG1 VAL 52 1.139 -1.341 5.031 393 HG21 VAL 52 3HG2 VAL 52 4.134 1.029 5.178 394 HG22 VAL 52 1HG2 VAL 52 3.564 0.181 3.769 395 HG23 VAL 52 2HG2 VAL 52 2.408 0.980 4.816 396 H THR 53 H THR 53 1.001 -2.217 8.063 397 HA THR 53 HA THR 53 2.967 -4.164 9.163 398 HB THR 53 HB THR 53 1.263 -4.579 10.930 399 HG1 THR 53 1HG THR 53 -0.538 -3.610 10.353 400 HG21 THR 53 3HG2 THR 53 3.261 -3.322 11.492 401 HG22 THR 53 1HG2 THR 53 2.544 -1.817 10.890 402 HG23 THR 53 2HG2 THR 53 1.870 -2.579 12.335 403 H PHE 54 H PHE 54 2.412 -6.315 9.050 404 HA PHE 54 HA PHE 54 0.664 -7.071 6.786 405 HB2 PHE 54 1HB PHE 54 2.576 -8.686 8.529 406 HB3 PHE 54 2HB PHE 54 1.738 -9.286 7.108 407 HD1 PHE 54 2HD PHE 54 2.110 -7.392 5.016 408 HD2 PHE 54 1HD PHE 54 4.874 -8.502 8.112 409 HE1 PHE 54 2HE PHE 54 3.997 -6.804 3.521 410 HE2 PHE 54 1HE PHE 54 6.782 -8.044 6.573 411 HZ PHE 54 HZ PHE 54 6.324 -7.149 4.274 412 H PHE 55 H PHE 55 -1.301 -8.069 7.093 413 HA PHE 55 HA PHE 55 -2.499 -7.995 9.533 414 HB2 PHE 55 1HB PHE 55 -3.285 -8.666 6.946 415 HB3 PHE 55 2HB PHE 55 -3.671 -10.107 7.859 416 HD1 PHE 55 2HD PHE 55 -3.857 -6.386 8.514 417 HD2 PHE 55 1HD PHE 55 -5.936 -10.156 8.510 418 HE1 PHE 55 2HE PHE 55 -5.917 -5.254 9.300 419 HE2 PHE 55 1HE PHE 55 -7.980 -9.040 9.301 420 HZ PHE 55 HZ PHE 55 -7.989 -6.557 9.674 421 HA PRO 56 HA PRO 56 -3.962 -8.628 10.863 422 HB2 PRO 56 1HB PRO 56 -4.915 -9.657 13.123 423 HB3 PRO 56 2HB PRO 56 -5.315 -10.385 11.545 424 HG2 PRO 56 1HG PRO 56 -3.264 -11.330 13.555 425 HG3 PRO 56 2HG PRO 56 -4.445 -12.298 12.635 426 HD2 PRO 56 1HD PRO 56 -1.767 -11.857 11.890 427 HD3 PRO 56 2HD PRO 56 -3.054 -12.370 10.779 428 H ASP 57 H ASP 57 -2.078 -7.218 11.017 429 HA ASP 57 HA ASP 57 -1.751 -6.337 13.749 430 HB2 ASP 57 1HB ASP 57 0.393 -7.525 13.136 431 HB3 ASP 57 2HB ASP 57 0.576 -6.426 11.775 432 H LEU 58 H LEU 58 -2.617 -4.369 13.609 433 HA LEU 58 HA LEU 58 -2.637 -2.864 11.060 434 HB2 LEU 58 1HB LEU 58 -5.038 -2.286 11.587 435 HB3 LEU 58 2HB LEU 58 -4.708 -3.839 10.864 436 HG LEU 58 HG LEU 58 -5.042 -3.639 13.871 437 HD11 LEU 58 1HD1 LEU 58 -7.428 -4.002 13.644 438 HD12 LEU 58 2HD1 LEU 58 -6.993 -2.507 12.827 439 HD13 LEU 58 3HD1 LEU 58 -7.318 -3.998 11.882 440 HD21 LEU 58 3HD2 LEU 58 -6.075 -5.977 13.417 441 HD22 LEU 58 1HD2 LEU 58 -5.436 -5.841 11.782 442 HD23 LEU 58 2HD2 LEU 58 -4.348 -5.863 13.182 443 H ASN 59 H ASN 59 -0.837 -2.561 13.037 444 HA ASN 59 HA ASN 59 -1.693 -0.208 14.627 445 HB2 ASN 59 1HB ASN 59 0.766 -2.001 14.767 446 HB3 ASN 59 2HB ASN 59 0.476 -0.646 15.801 447 HD21 ASN 59 1HD2 ASN 59 -0.220 -3.867 15.119 448 HD22 ASN 59 2HD2 ASN 59 -1.191 -4.260 16.586 449 H GLY 60 H GLY 60 0.235 -1.190 11.911 450 HA2 GLY 60 1HA GLY 60 1.960 1.083 11.653 451 HA3 GLY 60 2HA GLY 60 1.299 0.114 10.316 452 H ASP 61 H ASP 61 1.527 2.752 9.832 453 HA ASP 61 HA ASP 61 -0.932 4.281 10.340 454 HB2 ASP 61 1HB ASP 61 1.197 5.410 9.826 455 HB3 ASP 61 2HB ASP 61 1.294 4.552 8.287 456 H VAL 62 H VAL 62 0.363 1.977 8.020 457 HA VAL 62 HA VAL 62 -2.249 1.859 6.582 458 HB VAL 62 HB VAL 62 0.574 1.557 5.533 459 HG11 VAL 62 1HG1 VAL 62 -0.600 1.682 3.227 460 HG12 VAL 62 2HG1 VAL 62 -0.681 0.168 4.139 461 HG13 VAL 62 3HG1 VAL 62 -2.068 1.247 4.102 462 HG21 VAL 62 3HG2 VAL 62 0.067 3.660 4.194 463 HG22 VAL 62 1HG2 VAL 62 -1.315 3.904 5.282 464 HG23 VAL 62 2HG2 VAL 62 0.322 3.865 5.921 465 H VAL 63 H VAL 63 -2.650 -0.327 5.637 466 HA VAL 63 HA VAL 63 -1.480 -2.513 7.307 467 HB VAL 63 HB VAL 63 -4.249 -2.195 6.065 468 HG11 VAL 63 1HG1 VAL 63 -3.105 -4.395 7.820 469 HG12 VAL 63 2HG1 VAL 63 -4.840 -4.182 7.474 470 HG13 VAL 63 3HG1 VAL 63 -3.739 -4.564 6.165 471 HG21 VAL 63 3HG2 VAL 63 -5.126 -1.978 8.316 472 HG22 VAL 63 1HG2 VAL 63 -3.515 -2.197 9.025 473 HG23 VAL 63 2HG2 VAL 63 -3.902 -0.733 8.104 474 H ALA 64 H ALA 64 -1.248 -4.591 6.164 475 HA ALA 64 HA ALA 64 -1.307 -4.484 3.196 476 HB1 ALA 64 1HB ALA 64 0.819 -5.630 5.043 477 HB2 ALA 64 2HB ALA 64 0.707 -6.011 3.304 478 HB3 ALA 64 3HB ALA 64 1.024 -4.349 3.843 479 H ILE 65 H ILE 65 -2.331 -6.191 2.258 480 HA ILE 65 HA ILE 65 -3.544 -8.213 4.019 481 HB ILE 65 HB ILE 65 -4.704 -6.512 1.805 482 HG12 ILE 65 1HG1 ILE 65 -4.681 -5.499 4.073 483 HG13 ILE 65 2HG1 ILE 65 -6.302 -5.768 3.457 484 HG21 ILE 65 1HG2 ILE 65 -5.552 -8.767 1.421 485 HG22 ILE 65 2HG2 ILE 65 -6.015 -8.920 3.113 486 HG23 ILE 65 3HG2 ILE 65 -6.833 -7.743 2.069 487 HD11 ILE 65 3HD1 ILE 65 -6.029 -6.294 5.889 488 HD12 ILE 65 1HD1 ILE 65 -6.628 -7.664 4.958 489 HD13 ILE 65 2HD1 ILE 65 -4.934 -7.610 5.492 490 H ASP 66 H ASP 66 -3.775 -10.321 3.061 491 HA ASP 66 HA ASP 66 -1.617 -10.992 1.383 492 HB2 ASP 66 1HB ASP 66 -2.508 -13.267 1.552 493 HB3 ASP 66 2HB ASP 66 -2.142 -12.503 3.071 494 H TYR 67 H TYR 67 -1.458 -11.444 -0.675 495 HA TYR 67 HA TYR 67 -3.027 -10.054 -2.477 496 HB2 TYR 67 1HB TYR 67 -0.838 -10.497 -3.105 497 HB3 TYR 67 2HB TYR 67 -0.950 -12.199 -2.695 498 HD1 TYR 67 1HD TYR 67 -2.110 -13.810 -4.163 499 HD2 TYR 67 2HD TYR 67 -1.417 -9.748 -5.385 500 HE1 TYR 67 1HE TYR 67 -2.686 -14.433 -6.501 501 HE2 TYR 67 2HE TYR 67 -1.901 -10.376 -7.741 502 HH TYR 67 HH TYR 67 -3.332 -12.101 -8.847 503 H ARG 68 H ARG 68 -3.754 -13.319 -1.329 504 HA ARG 68 HA ARG 68 -5.269 -14.184 -3.572 505 HB2 ARG 68 1HB ARG 68 -6.192 -15.808 -1.956 506 HB3 ARG 68 2HB ARG 68 -4.434 -15.690 -1.867 507 HG2 ARG 68 1HG ARG 68 -4.547 -14.321 0.106 508 HG3 ARG 68 2HG ARG 68 -6.316 -14.221 -0.005 509 HD2 ARG 68 1HD ARG 68 -6.416 -16.682 0.404 510 HD3 ARG 68 2HD ARG 68 -4.651 -16.669 0.683 511 HE ARG 68 HE ARG 68 -5.419 -14.654 2.262 512 HH11 ARG 68 2HH2 ARG 68 -7.039 -17.848 2.065 513 HH12 ARG 68 1HH2 ARG 68 -7.803 -17.610 3.599 514 HH21 ARG 68 2HH1 ARG 68 -6.298 -14.493 4.278 515 HH22 ARG 68 1HH1 ARG 68 -7.517 -15.654 4.796 516 H HIS 69 H HIS 69 -5.952 -11.732 -1.242 517 HA HIS 69 HA HIS 69 -8.858 -11.749 -1.776 518 HB2 HIS 69 1HB HIS 69 -6.997 -10.297 0.051 519 HB3 HIS 69 2HB HIS 69 -8.412 -9.394 -0.497 520 HD1 HIS 69 1HD HIS 69 -8.243 -13.147 0.580 521 HD2 HIS 69 2HD HIS 69 -10.058 -9.428 1.422 522 HE1 HIS 69 1HE HIS 69 -10.058 -13.612 2.292 523 H TYR 70 H TYR 70 -6.160 -10.651 -3.590 524 HA TYR 70 HA TYR 70 -7.306 -8.157 -4.473 525 HB2 TYR 70 1HB TYR 70 -4.890 -8.532 -4.493 526 HB3 TYR 70 2HB TYR 70 -5.085 -9.879 -5.597 527 HD1 TYR 70 2HD TYR 70 -7.177 -6.871 -6.295 528 HD2 TYR 70 1HD TYR 70 -3.445 -8.892 -7.040 529 HE1 TYR 70 2HE TYR 70 -6.825 -5.457 -8.242 530 HE2 TYR 70 1HE TYR 70 -3.102 -7.529 -9.071 531 HH TYR 70 HH TYR 70 -4.207 -6.121 -10.573 532 H SER 71 H SER 71 -9.433 -8.912 -4.984 533 HA SER 71 HA SER 71 -9.756 -10.205 -7.608 534 HB2 SER 71 1HB SER 71 -11.471 -10.380 -5.692 535 HB3 SER 71 2HB SER 71 -11.890 -8.690 -6.034 536 HG SER 71 HG SER 71 -13.215 -10.247 -7.196 537 H ALA 72 H ALA 72 -10.887 -9.102 -9.298 538 HA ALA 72 HA ALA 72 -9.810 -6.668 -10.256 539 HB1 ALA 72 1HB ALA 72 -10.858 -8.458 -11.643 540 HB2 ALA 72 2HB ALA 72 -12.430 -8.095 -10.914 541 HB3 ALA 72 3HB ALA 72 -11.617 -6.869 -11.912 542 H SER 73 H SER 73 -12.650 -7.202 -8.051 543 HA SER 73 HA SER 73 -13.921 -4.746 -8.440 544 HB2 SER 73 1HB SER 73 -13.493 -5.796 -5.642 545 HB3 SER 73 2HB SER 73 -14.940 -5.103 -6.393 546 HG SER 73 HG SER 73 -15.325 -7.223 -6.212 547 H PHE 74 H PHE 74 -10.834 -5.509 -6.883 548 HA PHE 74 HA PHE 74 -10.596 -2.812 -5.701 549 HB2 PHE 74 1HB PHE 74 -8.843 -5.221 -5.318 550 HB3 PHE 74 2HB PHE 74 -8.966 -3.798 -4.317 551 HD1 PHE 74 2HD PHE 74 -11.339 -3.411 -3.094 552 HD2 PHE 74 1HD PHE 74 -9.979 -7.155 -4.706 553 HE1 PHE 74 2HE PHE 74 -12.865 -4.631 -1.569 554 HE2 PHE 74 1HE PHE 74 -11.563 -8.368 -3.233 555 HZ PHE 74 HZ PHE 74 -13.014 -7.119 -1.679 556 H LYS 75 H LYS 75 -10.105 -3.488 -8.782 557 HA LYS 75 HA LYS 75 -7.405 -3.418 -9.301 558 HB2 LYS 75 1HB LYS 75 -7.949 -3.330 -11.332 559 HB3 LYS 75 2HB LYS 75 -9.457 -3.863 -10.763 560 HG2 LYS 75 1HG LYS 75 -10.518 -1.807 -11.099 561 HG3 LYS 75 2HG LYS 75 -9.017 -0.876 -11.128 562 HD2 LYS 75 1HD LYS 75 -9.685 -2.858 -13.278 563 HD3 LYS 75 2HD LYS 75 -10.084 -1.133 -13.233 564 HE2 LYS 75 1HE LYS 75 -7.644 -0.589 -12.961 565 HE3 LYS 75 2HE LYS 75 -7.285 -2.303 -13.211 566 HZ1 LYS 75 3HZ LYS 75 -7.075 -1.039 -15.249 567 HZ2 LYS 75 1HZ LYS 75 -8.288 -2.130 -15.393 568 HZ3 LYS 75 2HZ LYS 75 -8.636 -0.537 -15.169 569 H LYS 76 H LYS 76 -9.522 -0.739 -8.348 570 HA LYS 76 HA LYS 76 -7.482 1.249 -9.105 571 HB2 LYS 76 1HB LYS 76 -10.347 1.528 -8.171 572 HB3 LYS 76 2HB LYS 76 -9.279 2.868 -8.637 573 HG2 LYS 76 1HG LYS 76 -8.975 1.494 -10.877 574 HG3 LYS 76 2HG LYS 76 -10.455 0.678 -10.335 575 HD2 LYS 76 1HD LYS 76 -11.489 3.003 -10.130 576 HD3 LYS 76 2HD LYS 76 -10.079 3.607 -11.015 577 HE2 LYS 76 1HE LYS 76 -10.522 2.117 -12.874 578 HE3 LYS 76 2HE LYS 76 -11.826 1.311 -11.976 579 HZ1 LYS 76 3HZ LYS 76 -11.896 4.141 -12.875 580 HZ2 LYS 76 1HZ LYS 76 -12.735 2.883 -13.543 581 HZ3 LYS 76 2HZ LYS 76 -13.077 3.378 -12.034 582 H GLY 77 H GLY 77 -7.705 -0.676 -6.491 583 HA2 GLY 77 1HA GLY 77 -6.246 -0.124 -4.592 584 HA3 GLY 77 2HA GLY 77 -7.020 1.473 -4.541 585 H ALA 78 H ALA 78 -7.181 0.224 -2.240 586 HA ALA 78 HA ALA 78 -9.945 -0.267 -1.847 587 HB1 ALA 78 1HB ALA 78 -9.771 -2.556 -0.881 588 HB2 ALA 78 2HB ALA 78 -9.365 -2.552 -2.596 589 HB3 ALA 78 3HB ALA 78 -8.070 -2.638 -1.390 590 H LYS 79 H LYS 79 -10.369 -0.696 0.465 591 HA LYS 79 HA LYS 79 -8.239 -0.081 2.331 592 HB2 LYS 79 1HB LYS 79 -9.505 1.766 3.397 593 HB3 LYS 79 2HB LYS 79 -8.754 2.087 1.859 594 HG2 LYS 79 1HG LYS 79 -10.663 3.152 1.486 595 HG3 LYS 79 2HG LYS 79 -11.201 1.581 0.884 596 HD2 LYS 79 1HD LYS 79 -12.119 1.153 3.151 597 HD3 LYS 79 2HD LYS 79 -11.672 2.794 3.613 598 HE2 LYS 79 1HE LYS 79 -13.117 3.507 1.532 599 HE3 LYS 79 2HE LYS 79 -13.773 1.858 1.622 600 HZ1 LYS 79 3HZ LYS 79 -13.916 3.966 3.725 601 HZ2 LYS 79 1HZ LYS 79 -15.169 3.233 2.906 602 HZ3 LYS 79 2HZ LYS 79 -14.315 2.394 3.995 603 H LEU 80 H LEU 80 -9.119 -0.322 4.540 604 HA LEU 80 HA LEU 80 -10.748 -2.808 4.656 605 HB2 LEU 80 1HB LEU 80 -8.188 -2.429 5.325 606 HB3 LEU 80 2HB LEU 80 -8.853 -1.787 6.809 607 HG LEU 80 HG LEU 80 -9.396 -4.564 5.618 608 HD11 LEU 80 1HD1 LEU 80 -7.013 -4.201 6.155 609 HD12 LEU 80 2HD1 LEU 80 -7.449 -3.738 7.817 610 HD13 LEU 80 3HD1 LEU 80 -7.763 -5.393 7.223 611 HD21 LEU 80 3HD2 LEU 80 -11.146 -4.053 7.227 612 HD22 LEU 80 1HD2 LEU 80 -10.024 -5.166 7.978 613 HD23 LEU 80 2HD2 LEU 80 -9.939 -3.470 8.432 614 H LEU 81 H LEU 81 -10.826 -2.082 7.673 615 HA LEU 81 HA LEU 81 -13.476 -1.289 7.792 616 HB2 LEU 81 1HB LEU 81 -11.860 -2.269 9.558 617 HB3 LEU 81 2HB LEU 81 -11.437 -0.651 9.966 618 HG LEU 81 HG LEU 81 -14.370 -0.985 9.859 619 HD11 LEU 81 1HD1 LEU 81 -13.967 -3.202 10.661 620 HD12 LEU 81 2HD1 LEU 81 -12.702 -2.654 11.787 621 HD13 LEU 81 3HD1 LEU 81 -14.396 -2.223 12.066 622 HD21 LEU 81 3HD2 LEU 81 -12.484 -0.019 12.059 623 HD22 LEU 81 1HD2 LEU 81 -13.232 1.008 10.806 624 HD23 LEU 81 2HD2 LEU 81 -14.241 0.196 11.997 625 H HIS 82 H HIS 82 -10.586 0.560 8.264 626 HA HIS 82 HA HIS 82 -11.788 2.817 6.770 627 HB2 HIS 82 1HB HIS 82 -11.100 4.558 8.295 628 HB3 HIS 82 2HB HIS 82 -12.204 3.460 9.115 629 HD1 HIS 82 1HD HIS 82 -9.106 5.223 9.839 630 HD2 HIS 82 2HD HIS 82 -10.686 1.378 10.566 631 HE1 HIS 82 1HE HIS 82 -7.737 4.237 11.731 632 H LYS 83 H LYS 83 -8.907 1.190 8.111 633 HA LYS 83 HA LYS 83 -7.081 3.081 7.089 634 HB2 LYS 83 1HB LYS 83 -6.731 0.217 8.082 635 HB3 LYS 83 2HB LYS 83 -5.386 1.156 7.488 636 HG2 LYS 83 1HG LYS 83 -6.613 2.985 9.194 637 HG3 LYS 83 2HG LYS 83 -6.913 1.463 9.998 638 HD2 LYS 83 1HD LYS 83 -4.118 1.970 9.084 639 HD3 LYS 83 2HD LYS 83 -4.715 2.930 10.424 640 HE2 LYS 83 1HE LYS 83 -4.935 -0.121 10.332 641 HE3 LYS 83 2HE LYS 83 -3.586 0.795 10.991 642 HZ1 LYS 83 3HZ LYS 83 -6.309 0.803 12.095 643 HZ2 LYS 83 1HZ LYS 83 -4.915 0.293 12.783 644 HZ3 LYS 83 2HZ LYS 83 -5.159 1.891 12.516 645 HA PRO 84 HA PRO 84 -6.457 1.779 2.898 646 HB2 PRO 84 1HB PRO 84 -3.852 2.547 2.519 647 HB3 PRO 84 2HB PRO 84 -5.211 3.714 2.651 648 HG2 PRO 84 1HG PRO 84 -3.214 2.899 4.753 649 HG3 PRO 84 2HG PRO 84 -3.822 4.524 4.397 650 HD2 PRO 84 1HD PRO 84 -4.701 2.872 6.407 651 HD3 PRO 84 2HD PRO 84 -5.741 4.125 5.721 652 H ILE 85 H ILE 85 -5.294 0.123 1.677 653 HA ILE 85 HA ILE 85 -3.749 -1.789 3.320 654 HB ILE 85 HB ILE 85 -5.047 -3.672 2.690 655 HG12 ILE 85 1HG1 ILE 85 -7.339 -2.701 1.310 656 HG13 ILE 85 2HG1 ILE 85 -6.010 -1.941 0.470 657 HG21 ILE 85 1HG2 ILE 85 -7.130 -3.334 3.639 658 HG22 ILE 85 2HG2 ILE 85 -5.900 -2.423 4.536 659 HG23 ILE 85 3HG2 ILE 85 -7.023 -1.569 3.463 660 HD11 ILE 85 3HD1 ILE 85 -4.959 -4.183 0.121 661 HD12 ILE 85 1HD1 ILE 85 -6.337 -4.926 0.972 662 HD13 ILE 85 2HD1 ILE 85 -6.594 -4.082 -0.559 663 H VAL 86 H VAL 86 -2.527 -3.364 1.922 664 HA VAL 86 HA VAL 86 -2.313 -2.679 -0.933 665 HB VAL 86 HB VAL 86 0.134 -3.037 -0.872 666 HG11 VAL 86 1HG1 VAL 86 -0.811 -0.826 -1.087 667 HG12 VAL 86 2HG1 VAL 86 -0.818 -0.632 0.683 668 HG13 VAL 86 3HG1 VAL 86 0.717 -0.788 -0.210 669 HG21 VAL 86 3HG2 VAL 86 -0.045 -2.621 2.143 670 HG22 VAL 86 1HG2 VAL 86 0.337 -4.163 1.349 671 HG23 VAL 86 2HG2 VAL 86 1.419 -2.781 1.175 672 H TRP 87 H TRP 87 -0.914 -4.522 -1.991 673 HA TRP 87 HA TRP 87 -1.974 -7.108 -0.997 674 HB2 TRP 87 1HB TRP 87 -1.072 -6.283 -3.789 675 HB3 TRP 87 2HB TRP 87 -1.827 -7.810 -3.323 676 HD1 TRP 87 HD TRP 87 -2.650 -4.518 -4.687 677 HE1 TRP 87 1HE TRP 87 -5.171 -4.057 -4.654 678 HE3 TRP 87 3HE TRP 87 -4.048 -8.105 -1.332 679 HZ2 TRP 87 2HZ TRP 87 -7.512 -5.147 -3.319 680 HZ3 TRP 87 3HZ TRP 87 -6.383 -8.306 -0.643 681 HH2 TRP 87 HH TRP 87 -8.152 -6.908 -1.682 682 H HIS 88 H HIS 88 -0.410 -8.175 0.083 683 HA HIS 88 HA HIS 88 2.427 -7.953 -0.901 684 HB2 HIS 88 1HB HIS 88 3.238 -7.824 1.168 685 HB3 HIS 88 2HB HIS 88 1.733 -6.984 1.429 686 HD1 HIS 88 1HD HIS 88 3.697 -9.600 3.049 687 HD2 HIS 88 2HD HIS 88 -0.358 -8.629 2.544 688 HE1 HIS 88 1HE HIS 88 2.419 -11.007 4.729 689 H ILE 89 H ILE 89 3.520 -9.818 -1.346 690 HA ILE 89 HA ILE 89 2.184 -12.427 -0.844 691 HB ILE 89 HB ILE 89 3.974 -11.627 -3.190 692 HG12 ILE 89 1HG1 ILE 89 1.056 -12.395 -3.424 693 HG13 ILE 89 2HG1 ILE 89 1.555 -10.707 -3.318 694 HG21 ILE 89 1HG2 ILE 89 2.380 -14.163 -2.604 695 HG22 ILE 89 2HG2 ILE 89 3.408 -13.866 -4.028 696 HG23 ILE 89 3HG2 ILE 89 4.136 -13.995 -2.434 697 HD11 ILE 89 3HD1 ILE 89 1.247 -11.328 -5.645 698 HD12 ILE 89 1HD1 ILE 89 2.970 -11.008 -5.340 699 HD13 ILE 89 2HD1 ILE 89 2.373 -12.673 -5.496 700 H ASN 90 H ASN 90 3.421 -13.280 0.868 701 HA ASN 90 HA ASN 90 5.146 -14.144 1.939 702 HB2 ASN 90 1HB ASN 90 6.900 -15.133 0.746 703 HB3 ASN 90 2HB ASN 90 5.374 -15.421 -0.072 704 HD21 ASN 90 1HD2 ASN 90 8.014 -12.942 -0.217 705 HD22 ASN 90 2HD2 ASN 90 8.206 -13.048 -1.984 706 H GLN 91 H GLN 91 5.204 -11.322 2.230 707 HA GLN 91 HA GLN 91 6.451 -9.571 2.885 708 HB2 GLN 91 1HB GLN 91 8.778 -11.441 3.367 709 HB3 GLN 91 2HB GLN 91 8.568 -9.809 3.978 710 HG2 GLN 91 1HG GLN 91 6.578 -10.578 5.291 711 HG3 GLN 91 2HG GLN 91 6.900 -12.232 4.728 712 HE21 GLN 91 1HE2 GLN 91 9.726 -12.273 4.857 713 HE22 GLN 91 2HE2 GLN 91 10.198 -12.115 6.561 714 H ALA 92 H ALA 92 6.101 -10.074 0.197 715 HA ALA 92 HA ALA 92 8.339 -8.509 -0.782 716 HB1 ALA 92 1HB ALA 92 7.363 -10.888 -2.400 717 HB2 ALA 92 2HB ALA 92 8.601 -9.714 -2.871 718 HB3 ALA 92 3HB ALA 92 8.919 -10.825 -1.530 719 H THR 93 H THR 93 7.822 -7.550 -2.826 720 HA THR 93 HA THR 93 5.044 -7.465 -3.644 721 HB THR 93 HB THR 93 5.394 -5.243 -2.786 722 HG1 THR 93 1HG THR 93 5.939 -4.945 -5.517 723 HG21 THR 93 3HG2 THR 93 7.263 -3.747 -3.750 724 HG22 THR 93 1HG2 THR 93 7.762 -4.905 -2.506 725 HG23 THR 93 2HG2 THR 93 8.103 -5.241 -4.177 726 H THR 94 H THR 94 4.993 -7.618 -6.001 727 HA THR 94 HA THR 94 7.522 -8.078 -7.411 728 HB THR 94 HB THR 94 6.613 -10.143 -8.412 729 HG1 THR 94 1HG THR 94 4.771 -11.068 -7.223 730 HG21 THR 94 3HG2 THR 94 6.873 -11.690 -6.581 731 HG22 THR 94 1HG2 THR 94 7.999 -10.350 -6.318 732 HG23 THR 94 2HG2 THR 94 6.499 -10.446 -5.372 733 H LYS 95 H LYS 95 6.871 -8.233 -9.878 734 HA LYS 95 HA LYS 95 5.547 -5.981 -10.767 735 HB2 LYS 95 1HB LYS 95 6.390 -8.546 -11.950 736 HB3 LYS 95 2HB LYS 95 5.056 -7.805 -12.815 737 HG2 LYS 95 1HG LYS 95 7.440 -6.097 -12.089 738 HG3 LYS 95 2HG LYS 95 7.557 -7.229 -13.441 739 HD2 LYS 95 1HD LYS 95 5.755 -6.214 -14.632 740 HD3 LYS 95 2HD LYS 95 5.285 -5.221 -13.239 741 HE2 LYS 95 1HE LYS 95 7.343 -3.943 -13.361 742 HE3 LYS 95 2HE LYS 95 7.990 -5.005 -14.614 743 HZ1 LYS 95 3HZ LYS 95 7.109 -2.889 -15.420 744 HZ2 LYS 95 1HZ LYS 95 6.435 -4.158 -16.167 745 HZ3 LYS 95 2HZ LYS 95 5.578 -3.332 -15.041 746 H THR 96 H THR 96 3.938 -9.088 -9.882 747 HA THR 96 HA THR 96 1.431 -8.468 -10.969 748 HB THR 96 HB THR 96 1.798 -10.063 -8.420 749 HG1 THR 96 1HG THR 96 2.586 -11.750 -9.576 750 HG21 THR 96 3HG2 THR 96 -0.463 -9.833 -9.514 751 HG22 THR 96 1HG2 THR 96 0.202 -10.577 -10.982 752 HG23 THR 96 2HG2 THR 96 0.113 -11.509 -9.472 753 H THR 97 H THR 97 2.823 -7.707 -7.667 754 HA THR 97 HA THR 97 0.302 -6.434 -6.866 755 HB THR 97 HB THR 97 1.578 -6.176 -4.698 756 HG1 THR 97 1HG THR 97 3.677 -6.183 -5.212 757 HG21 THR 97 3HG2 THR 97 1.559 -9.026 -5.822 758 HG22 THR 97 1HG2 THR 97 1.655 -8.592 -4.119 759 HG23 THR 97 2HG2 THR 97 0.196 -8.190 -5.034 760 H PHE 98 H PHE 98 3.191 -5.485 -8.425 761 HA PHE 98 HA PHE 98 3.640 -2.919 -7.266 762 HB2 PHE 98 1HB PHE 98 5.490 -3.459 -8.395 763 HB3 PHE 98 2HB PHE 98 4.648 -4.525 -9.496 764 HD1 PHE 98 1HD PHE 98 5.478 -0.956 -8.902 765 HD2 PHE 98 2HD PHE 98 4.184 -3.901 -11.740 766 HE1 PHE 98 1HE PHE 98 5.722 0.711 -10.713 767 HE2 PHE 98 2HE PHE 98 4.445 -2.237 -13.572 768 HZ PHE 98 HZ PHE 98 5.210 0.072 -13.064 769 H LYS 99 H LYS 99 1.938 -3.883 -10.239 770 HA LYS 99 HA LYS 99 1.128 -1.295 -11.049 771 HB2 LYS 99 1HB LYS 99 0.161 -4.109 -11.586 772 HB3 LYS 99 2HB LYS 99 -0.767 -2.739 -12.208 773 HG2 LYS 99 1HG LYS 99 2.034 -2.240 -12.761 774 HG3 LYS 99 2HG LYS 99 1.659 -3.859 -13.297 775 HD2 LYS 99 1HD LYS 99 0.038 -1.404 -14.090 776 HD3 LYS 99 2HD LYS 99 1.446 -1.999 -14.986 777 HE2 LYS 99 1HE LYS 99 0.287 -4.273 -15.124 778 HE3 LYS 99 2HE LYS 99 -1.171 -3.475 -14.498 779 HZ1 LYS 99 3HZ LYS 99 -0.985 -1.944 -16.417 780 HZ2 LYS 99 1HZ LYS 99 0.253 -2.818 -17.025 781 HZ3 LYS 99 2HZ LYS 99 -1.222 -3.515 -16.868 782 HA PRO 100 HA PRO 100 -2.925 -1.616 -8.544 783 HB2 PRO 100 1HB PRO 100 -3.104 -3.354 -6.453 784 HB3 PRO 100 2HB PRO 100 -3.649 -3.769 -8.101 785 HG2 PRO 100 1HG PRO 100 -1.097 -4.530 -6.764 786 HG3 PRO 100 2HG PRO 100 -2.166 -5.546 -7.753 787 HD2 PRO 100 1HD PRO 100 0.069 -4.446 -8.835 788 HD3 PRO 100 2HD PRO 100 -1.438 -4.588 -9.778 789 H ASN 101 H ASN 101 0.320 -2.262 -6.923 790 HA ASN 101 HA ASN 101 -0.372 -0.897 -4.580 791 HB2 ASN 101 1HB ASN 101 2.123 -1.883 -5.853 792 HB3 ASN 101 2HB ASN 101 2.337 -0.443 -4.934 793 HD21 ASN 101 1HD2 ASN 101 1.345 -3.787 -4.709 794 HD22 ASN 101 2HD2 ASN 101 1.621 -3.867 -2.964 795 H THR 102 H THR 102 0.608 0.507 -7.711 796 HA THR 102 HA THR 102 1.353 3.008 -6.657 797 HB THR 102 HB THR 102 1.388 3.867 -8.668 798 HG1 THR 102 1HG THR 102 -0.035 3.572 -10.285 799 HG21 THR 102 3HG2 THR 102 2.654 1.827 -8.946 800 HG22 THR 102 1HG2 THR 102 1.219 0.951 -9.514 801 HG23 THR 102 2HG2 THR 102 1.906 2.288 -10.458 802 H TRP 103 H TRP 103 -1.822 1.610 -6.956 803 HA TRP 103 HA TRP 103 -3.370 4.006 -6.426 804 HB2 TRP 103 1HB TRP 103 -4.078 1.046 -6.378 805 HB3 TRP 103 2HB TRP 103 -5.191 2.328 -6.269 806 HD1 TRP 103 HD TRP 103 -3.064 0.543 -8.770 807 HE1 TRP 103 1HE TRP 103 -4.070 0.853 -11.119 808 HE3 TRP 103 3HE TRP 103 -6.166 4.385 -7.701 809 HZ2 TRP 103 2HZ TRP 103 -6.366 2.401 -12.246 810 HZ3 TRP 103 3HZ TRP 103 -7.668 5.357 -9.427 811 HH2 TRP 103 HH TRP 103 -7.836 4.307 -11.663 812 H CYS 104 H CYS 104 -1.191 2.550 -4.334 813 HA CYS 104 HA CYS 104 -2.997 3.066 -2.006 814 HB2 CYS 104 1HB CYS 104 -2.039 0.958 -1.631 815 HB3 CYS 104 2HB CYS 104 -0.464 1.407 -2.300 816 HG CYS 104 HG CYS 104 -0.220 1.065 0.268 817 H LEU 105 H LEU 105 0.036 3.694 -3.785 818 HA LEU 105 HA LEU 105 1.044 5.691 -2.019 819 HB2 LEU 105 1HB LEU 105 1.467 5.012 -4.990 820 HB3 LEU 105 2HB LEU 105 2.522 6.054 -4.072 821 HG LEU 105 HG LEU 105 3.658 4.404 -3.303 822 HD11 LEU 105 1HD1 LEU 105 2.214 3.726 -1.497 823 HD12 LEU 105 2HD1 LEU 105 1.552 2.463 -2.586 824 HD13 LEU 105 3HD1 LEU 105 3.265 2.460 -2.151 825 HD21 LEU 105 3HD2 LEU 105 3.427 3.763 -5.594 826 HD22 LEU 105 1HD2 LEU 105 4.172 2.666 -4.422 827 HD23 LEU 105 2HD2 LEU 105 2.519 2.351 -4.957 828 H ARG 106 H ARG 106 -1.026 5.786 -4.972 829 HA ARG 106 HA ARG 106 -1.262 8.644 -5.050 830 HB2 ARG 106 1HB ARG 106 -3.142 6.463 -6.030 831 HB3 ARG 106 2HB ARG 106 -3.347 8.200 -6.363 832 HG2 ARG 106 1HG ARG 106 -1.127 8.307 -7.357 833 HG3 ARG 106 2HG ARG 106 -0.864 6.592 -7.106 834 HD2 ARG 106 1HD ARG 106 -1.809 6.203 -9.074 835 HD3 ARG 106 2HD ARG 106 -3.351 6.809 -8.427 836 HE ARG 106 HE ARG 106 -2.401 9.111 -9.122 837 HH11 ARG 106 2HH2 ARG 106 -2.339 6.091 -10.991 838 HH12 ARG 106 1HH2 ARG 106 -2.177 6.872 -12.525 839 HH21 ARG 106 2HH1 ARG 106 -2.316 10.136 -11.044 840 HH22 ARG 106 1HH1 ARG 106 -2.011 9.307 -12.561 841 H CYS 107 H CYS 107 -2.579 6.503 -2.650 842 HA CYS 107 HA CYS 107 -4.807 8.325 -1.975 843 HB2 CYS 107 1HB CYS 107 -4.857 5.737 -1.763 844 HB3 CYS 107 2HB CYS 107 -3.740 5.966 -0.415 845 HG CYS 107 HG CYS 107 -5.339 7.893 0.694 846 H LEU 108 H LEU 108 -1.468 7.491 -1.106 847 HA LEU 108 HA LEU 108 -1.420 9.085 1.350 848 HB2 LEU 108 1HB LEU 108 0.766 7.780 -0.326 849 HB3 LEU 108 2HB LEU 108 1.055 8.626 1.173 850 HG LEU 108 HG LEU 108 -0.638 6.112 0.850 851 HD11 LEU 108 1HD1 LEU 108 1.711 5.637 0.517 852 HD12 LEU 108 2HD1 LEU 108 2.147 6.542 1.987 853 HD13 LEU 108 3HD1 LEU 108 1.205 5.054 2.118 854 HD21 LEU 108 3HD2 LEU 108 -0.584 6.035 3.365 855 HD22 LEU 108 1HD2 LEU 108 0.263 7.587 3.384 856 HD23 LEU 108 2HD2 LEU 108 -1.399 7.504 2.812 857 H TRP 109 H TRP 109 -0.734 9.532 -2.114 858 HA TRP 109 HA TRP 109 0.619 11.953 -2.142 859 HB2 TRP 109 1HB TRP 109 -1.619 10.948 -3.938 860 HB3 TRP 109 2HB TRP 109 -0.796 12.373 -4.235 861 HD1 TRP 109 HD TRP 109 1.665 9.827 -3.144 862 HE1 TRP 109 1HE TRP 109 2.814 8.753 -5.079 863 HE3 TRP 109 3HE TRP 109 -1.456 11.446 -6.864 864 HZ2 TRP 109 2HZ TRP 109 2.304 8.398 -7.944 865 HZ3 TRP 109 3HZ TRP 109 -0.985 10.864 -9.229 866 HH2 TRP 109 HH TRP 109 0.772 9.218 -9.765 867 H SER 110 H SER 110 0.215 13.778 -1.190 868 HA SER 110 HA SER 110 -2.284 14.551 0.091 869 HB2 SER 110 1HB SER 110 0.004 15.109 0.965 870 HB3 SER 110 2HB SER 110 0.322 16.045 -0.502 871 HG SER 110 HG SER 110 -1.295 17.507 0.120 872 H THR 111 H THR 111 -3.712 16.212 -0.787 873 HA THR 111 HA THR 111 -3.341 17.043 -3.583 874 HB THR 111 HB THR 111 -5.075 18.788 -2.926 875 HG1 THR 111 1HG THR 111 -4.674 18.604 -0.555 876 HG21 THR 111 3HG2 THR 111 -5.780 15.884 -2.423 877 HG22 THR 111 1HG2 THR 111 -6.869 17.195 -2.962 878 HG23 THR 111 2HG2 THR 111 -5.566 16.626 -4.006 879 H LYS 112 H LYS 112 -2.761 19.240 -4.127 880 HA LYS 112 HA LYS 112 -0.322 19.774 -3.875 881 HB2 LYS 112 1HB LYS 112 -2.389 21.339 -4.821 882 HB3 LYS 112 2HB LYS 112 -1.531 22.382 -3.673 883 HG2 LYS 112 1HG LYS 112 -0.078 20.924 -5.870 884 HG3 LYS 112 2HG LYS 112 -0.760 22.545 -6.047 885 HD2 LYS 112 1HD LYS 112 0.575 23.340 -4.120 886 HD3 LYS 112 2HD LYS 112 1.345 21.754 -3.983 887 HE2 LYS 112 1HE LYS 112 1.386 23.219 -6.608 888 HE3 LYS 112 2HE LYS 112 2.472 23.732 -5.310 889 HZ1 LYS 112 3HZ LYS 112 3.409 22.125 -6.878 890 HZ2 LYS 112 1HZ LYS 112 3.566 21.757 -5.315 891 HZ3 LYS 112 2HZ LYS 112 2.437 20.934 -6.246 892 HA PRO 113 HA PRO 113 0.402 20.742 0.542 893 HB2 PRO 113 1HB PRO 113 3.233 20.586 -0.313 894 HB3 PRO 113 2HB PRO 113 2.423 19.643 0.936 895 HG2 PRO 113 1HG PRO 113 3.181 18.511 -1.468 896 HG3 PRO 113 2HG PRO 113 1.723 17.991 -0.569 897 HD2 PRO 113 1HD PRO 113 1.786 19.887 -2.944 898 HD3 PRO 113 2HD PRO 113 0.721 18.496 -2.552 899 H VAL 114 H VAL 114 1.540 22.684 1.411 900 HA VAL 114 HA VAL 114 1.757 24.871 -0.569 901 HB VAL 114 HB VAL 114 1.650 26.302 1.415 902 HG11 VAL 114 1HG1 VAL 114 -0.466 25.516 0.390 903 HG12 VAL 114 2HG1 VAL 114 -0.547 24.205 1.587 904 HG13 VAL 114 3HG1 VAL 114 -0.621 25.908 2.103 905 HG21 VAL 114 3HG2 VAL 114 2.848 24.898 3.043 906 HG22 VAL 114 1HG2 VAL 114 1.294 25.421 3.676 907 HG23 VAL 114 2HG2 VAL 114 1.497 23.759 3.068 908 H ASP 115 H ASP 115 3.665 22.620 -0.110 909 HA ASP 115 HA ASP 115 5.960 23.685 1.321 910 HB2 ASP 115 1HB ASP 115 5.039 21.272 1.316 911 HB3 ASP 115 2HB ASP 115 5.786 21.101 -0.277 912 H THR 116 H THR 116 4.995 23.018 -1.984 913 HA THR 116 HA THR 116 6.454 25.005 -3.203 914 HB THR 116 HB THR 116 8.463 23.697 -2.725 915 HG1 THR 116 1HG THR 116 7.702 24.649 -5.147 916 HG21 THR 116 3HG2 THR 116 7.409 21.491 -3.024 917 HG22 THR 116 1HG2 THR 116 7.449 21.774 -4.780 918 HG23 THR 116 2HG2 THR 116 8.976 21.696 -3.846 Start of MODEL 8 1 H1 MET 1 H MET 1 -8.687 -16.830 10.538 2 HA MET 1 HA MET 1 -7.399 -18.227 8.272 3 HB2 MET 1 1HB MET 1 -8.507 -19.346 10.801 4 HB3 MET 1 2HB MET 1 -8.962 -20.175 9.309 5 HG2 MET 1 1HG MET 1 -6.483 -20.143 8.683 6 HG3 MET 1 2HG MET 1 -6.189 -19.691 10.361 7 HE1 MET 1 3HE MET 1 -7.887 -22.909 12.134 8 HE2 MET 1 1HE MET 1 -7.601 -21.166 12.304 9 HE3 MET 1 2HE MET 1 -8.985 -21.756 11.359 10 H TYR 2 H TYR 2 -10.652 -17.878 9.884 11 HA TYR 2 HA TYR 2 -12.047 -18.991 7.849 12 HB2 TYR 2 1HB TYR 2 -12.664 -17.926 10.254 13 HB3 TYR 2 2HB TYR 2 -13.379 -16.697 9.242 14 HD1 TYR 2 1HD TYR 2 -15.273 -17.392 7.656 15 HD2 TYR 2 2HD TYR 2 -13.500 -20.156 10.441 16 HE1 TYR 2 1HE TYR 2 -17.167 -18.912 7.319 17 HE2 TYR 2 2HE TYR 2 -15.366 -21.686 10.117 18 HH TYR 2 HH TYR 2 -18.257 -20.827 8.368 19 H THR 3 H THR 3 -13.406 -18.249 6.216 20 HA THR 3 HA THR 3 -12.357 -15.925 4.701 21 HB THR 3 HB THR 3 -13.653 -18.350 3.547 22 HG1 THR 3 1HG THR 3 -12.110 -19.265 4.865 23 HG21 THR 3 3HG2 THR 3 -12.019 -17.900 1.682 24 HG22 THR 3 1HG2 THR 3 -12.995 -16.494 2.060 25 HG23 THR 3 2HG2 THR 3 -11.334 -16.563 2.640 26 H GLU 4 H GLU 4 -14.391 -15.564 6.462 27 HA GLU 4 HA GLU 4 -17.056 -15.654 5.183 28 HB2 GLU 4 1HB GLU 4 -17.800 -14.512 7.287 29 HB3 GLU 4 2HB GLU 4 -17.193 -16.154 7.445 30 HG2 GLU 4 1HG GLU 4 -15.111 -15.370 8.443 31 HG3 GLU 4 2HG GLU 4 -15.488 -13.701 8.089 32 H GLN 5 H GLN 5 -16.725 -14.256 3.320 33 HA GLN 5 HA GLN 5 -16.420 -12.464 2.142 34 HB2 GLN 5 1HB GLN 5 -17.831 -10.820 2.598 35 HB3 GLN 5 2HB GLN 5 -18.381 -11.891 3.838 36 HG2 GLN 5 1HG GLN 5 -16.346 -10.447 5.129 37 HG3 GLN 5 2HG GLN 5 -17.093 -9.246 4.103 38 HE21 GLN 5 1HE2 GLN 5 -17.849 -11.844 6.449 39 HE22 GLN 5 2HE2 GLN 5 -19.215 -11.028 7.209 40 HA PRO 6 HA PRO 6 -12.433 -10.633 3.301 41 HB2 PRO 6 1HB PRO 6 -12.295 -8.156 2.331 42 HB3 PRO 6 2HB PRO 6 -12.480 -9.529 1.207 43 HG2 PRO 6 1HG PRO 6 -14.686 -7.731 2.276 44 HG3 PRO 6 2HG PRO 6 -14.340 -8.151 0.566 45 HD2 PRO 6 1HD PRO 6 -16.174 -9.526 2.024 46 HD3 PRO 6 2HD PRO 6 -15.128 -10.366 0.852 47 H ILE 7 H ILE 7 -11.328 -8.748 4.502 48 HA ILE 7 HA ILE 7 -12.839 -8.624 6.971 49 HB ILE 7 HB ILE 7 -9.943 -7.940 6.495 50 HG12 ILE 7 1HG1 ILE 7 -11.285 -10.528 7.439 51 HG13 ILE 7 2HG1 ILE 7 -10.421 -10.300 5.919 52 HG21 ILE 7 1HG2 ILE 7 -11.050 -6.957 8.556 53 HG22 ILE 7 2HG2 ILE 7 -11.523 -8.591 9.043 54 HG23 ILE 7 3HG2 ILE 7 -9.807 -8.114 8.949 55 HD11 ILE 7 3HD1 ILE 7 -8.317 -9.858 7.201 56 HD12 ILE 7 1HD1 ILE 7 -9.195 -10.273 8.697 57 HD13 ILE 7 2HD1 ILE 7 -8.994 -11.484 7.443 58 H ASP 8 H ASP 8 -14.374 -7.098 5.870 59 HA ASP 8 HA ASP 8 -15.208 -5.020 5.517 60 HB2 ASP 8 1HB ASP 8 -14.009 -4.775 7.985 61 HB3 ASP 8 2HB ASP 8 -13.232 -3.476 7.124 62 H LEU 9 H LEU 9 -12.897 -6.086 3.966 63 HA LEU 9 HA LEU 9 -11.420 -3.810 3.020 64 HB2 LEU 9 1HB LEU 9 -10.829 -6.359 2.801 65 HB3 LEU 9 2HB LEU 9 -11.942 -6.300 1.412 66 HG LEU 9 HG LEU 9 -10.543 -4.265 0.599 67 HD11 LEU 9 1HD1 LEU 9 -9.196 -3.830 2.578 68 HD12 LEU 9 2HD1 LEU 9 -8.658 -5.521 2.646 69 HD13 LEU 9 3HD1 LEU 9 -8.131 -4.485 1.317 70 HD21 LEU 9 3HD2 LEU 9 -9.211 -6.988 0.669 71 HD22 LEU 9 1HD2 LEU 9 -10.584 -6.563 -0.370 72 HD23 LEU 9 2HD2 LEU 9 -9.059 -5.685 -0.555 73 H VAL 10 H VAL 10 -12.111 -2.299 1.693 74 HA VAL 10 HA VAL 10 -14.305 -2.887 -0.164 75 HB VAL 10 HB VAL 10 -14.967 -0.370 0.251 76 HG11 VAL 10 1HG1 VAL 10 -16.834 -1.221 1.646 77 HG12 VAL 10 2HG1 VAL 10 -16.478 -2.325 0.309 78 HG13 VAL 10 3HG1 VAL 10 -15.920 -2.714 1.947 79 HG21 VAL 10 3HG2 VAL 10 -13.334 -0.113 2.182 80 HG22 VAL 10 1HG2 VAL 10 -15.028 0.306 2.526 81 HG23 VAL 10 2HG2 VAL 10 -14.349 -1.227 3.096 82 HA PRO 11 HA PRO 11 -11.271 -1.152 -2.878 83 HB2 PRO 11 1HB PRO 11 -13.325 -0.651 -4.937 84 HB3 PRO 11 2HB PRO 11 -12.041 -1.843 -4.908 85 HG2 PRO 11 1HG PRO 11 -14.682 -2.496 -4.662 86 HG3 PRO 11 2HG PRO 11 -13.362 -3.423 -3.890 87 HD2 PRO 11 1HD PRO 11 -15.065 -1.315 -2.567 88 HD3 PRO 11 2HD PRO 11 -14.662 -2.988 -2.065 89 H THR 12 H THR 12 -10.668 0.985 -3.741 90 HA THR 12 HA THR 12 -12.564 3.119 -3.707 91 HB THR 12 HB THR 12 -11.962 3.134 -1.269 92 HG1 THR 12 1HG THR 12 -12.332 5.163 -1.607 93 HG21 THR 12 3HG2 THR 12 -9.710 3.879 -0.599 94 HG22 THR 12 1HG2 THR 12 -9.663 2.289 -1.369 95 HG23 THR 12 2HG2 THR 12 -9.133 3.729 -2.269 96 H GLN 13 H GLN 13 -10.980 5.155 -4.092 97 HA GLN 13 HA GLN 13 -9.078 4.486 -6.238 98 HB2 GLN 13 1HB GLN 13 -11.576 6.125 -6.688 99 HB3 GLN 13 2HB GLN 13 -10.353 5.799 -7.897 100 HG2 GLN 13 1HG GLN 13 -11.760 4.237 -8.633 101 HG3 GLN 13 2HG GLN 13 -11.172 3.243 -7.313 102 HE21 GLN 13 1HE2 GLN 13 -13.798 5.357 -8.442 103 HE22 GLN 13 2HE2 GLN 13 -14.947 4.976 -7.221 104 HA PRO 14 HA PRO 14 -7.410 8.199 -4.426 105 HB2 PRO 14 1HB PRO 14 -5.725 9.128 -6.313 106 HB3 PRO 14 2HB PRO 14 -5.496 7.501 -5.596 107 HG2 PRO 14 1HG PRO 14 -6.866 8.197 -8.214 108 HG3 PRO 14 2HG PRO 14 -5.590 6.965 -7.938 109 HD2 PRO 14 1HD PRO 14 -8.307 6.388 -7.966 110 HD3 PRO 14 2HD PRO 14 -7.144 5.485 -6.948 111 H LEU 15 H LEU 15 -7.458 10.487 -4.417 112 HA LEU 15 HA LEU 15 -9.622 11.609 -6.154 113 HB2 LEU 15 1HB LEU 15 -9.958 13.231 -4.666 114 HB3 LEU 15 2HB LEU 15 -9.599 11.876 -3.644 115 HG LEU 15 HG LEU 15 -7.140 13.317 -4.090 116 HD11 LEU 15 1HD1 LEU 15 -9.415 15.043 -2.971 117 HD12 LEU 15 2HD1 LEU 15 -7.750 15.546 -3.349 118 HD13 LEU 15 3HD1 LEU 15 -8.898 15.186 -4.641 119 HD21 LEU 15 3HD2 LEU 15 -7.731 12.021 -2.060 120 HD22 LEU 15 1HD2 LEU 15 -7.217 13.665 -1.669 121 HD23 LEU 15 2HD2 LEU 15 -8.948 13.235 -1.632 122 HA PRO 16 HA PRO 16 -6.652 13.799 -8.662 123 HB2 PRO 16 1HB PRO 16 -8.132 15.968 -9.485 124 HB3 PRO 16 2HB PRO 16 -8.420 14.308 -10.076 125 HG2 PRO 16 1HG PRO 16 -9.990 15.917 -8.142 126 HG3 PRO 16 2HG PRO 16 -10.534 14.559 -9.188 127 HD2 PRO 16 1HD PRO 16 -9.837 14.528 -6.420 128 HD3 PRO 16 2HD PRO 16 -10.338 13.157 -7.415 129 H ASN 17 H ASN 17 -6.013 16.417 -8.835 130 HA ASN 17 HA ASN 17 -4.896 18.084 -7.912 131 HB2 ASN 17 1HB ASN 17 -6.116 17.972 -5.213 132 HB3 ASN 17 2HB ASN 17 -5.752 19.337 -6.242 133 HD21 ASN 17 1HD2 ASN 17 -8.112 18.442 -4.599 134 HD22 ASN 17 2HD2 ASN 17 -9.508 18.522 -5.629 135 H ALA 18 H ALA 18 -5.170 15.243 -5.835 136 HA ALA 18 HA ALA 18 -3.138 15.464 -4.009 137 HB1 ALA 18 1HB ALA 18 -3.027 12.986 -4.257 138 HB2 ALA 18 2HB ALA 18 -4.690 13.576 -4.191 139 HB3 ALA 18 3HB ALA 18 -3.969 13.094 -5.747 140 H SER 19 H SER 19 -0.904 14.853 -3.963 141 HA SER 19 HA SER 19 0.478 14.227 -6.422 142 HB2 SER 19 1HB SER 19 0.624 16.653 -6.541 143 HB3 SER 19 2HB SER 19 1.135 16.756 -4.841 144 HG SER 19 HG SER 19 3.050 15.821 -5.354 145 H PHE 20 H PHE 20 2.454 13.334 -5.887 146 HA PHE 20 HA PHE 20 2.616 12.091 -3.303 147 HB2 PHE 20 1HB PHE 20 3.558 11.070 -5.385 148 HB3 PHE 20 2HB PHE 20 4.670 12.409 -5.530 149 HD1 PHE 20 1HD PHE 20 3.816 10.529 -2.378 150 HD2 PHE 20 2HD PHE 20 6.735 11.312 -5.436 151 HE1 PHE 20 1HE PHE 20 5.566 9.407 -1.013 152 HE2 PHE 20 2HE PHE 20 8.405 10.092 -4.164 153 HZ PHE 20 HZ PHE 20 7.842 9.168 -1.875 154 H ASP 21 H ASP 21 4.344 12.429 -1.777 155 HA ASP 21 HA ASP 21 5.128 15.254 -1.399 156 HB2 ASP 21 1HB ASP 21 4.085 13.413 0.788 157 HB3 ASP 21 2HB ASP 21 4.375 15.139 0.882 158 H ASN 22 H ASN 22 6.657 15.140 0.684 159 HA ASN 22 HA ASN 22 8.713 13.098 0.337 160 HB2 ASN 22 1HB ASN 22 8.308 15.343 2.349 161 HB3 ASN 22 2HB ASN 22 9.643 14.192 2.461 162 HD21 ASN 22 1HD2 ASN 22 10.911 13.719 0.386 163 HD22 ASN 22 2HD2 ASN 22 11.388 15.137 -0.446 164 H PHE 23 H PHE 23 6.034 11.916 1.063 165 HA PHE 23 HA PHE 23 6.668 10.861 3.758 166 HB2 PHE 23 1HB PHE 23 4.756 9.529 3.701 167 HB3 PHE 23 2HB PHE 23 4.286 11.142 3.237 168 HD1 PHE 23 2HD PHE 23 5.052 7.753 1.783 169 HD2 PHE 23 1HD PHE 23 3.003 11.535 1.320 170 HE1 PHE 23 2HE PHE 23 3.862 6.878 -0.202 171 HE2 PHE 23 1HE PHE 23 1.866 10.689 -0.639 172 HZ PHE 23 HZ PHE 23 2.314 8.318 -1.446 173 H LYS 24 H LYS 24 7.864 9.142 4.031 174 HA LYS 24 HA LYS 24 8.745 7.492 1.710 175 HB2 LYS 24 1HB LYS 24 10.600 8.228 2.948 176 HB3 LYS 24 2HB LYS 24 9.814 8.018 4.504 177 HG2 LYS 24 1HG LYS 24 10.085 5.659 4.435 178 HG3 LYS 24 2HG LYS 24 10.314 5.701 2.688 179 HD2 LYS 24 1HD LYS 24 12.532 7.138 3.496 180 HD3 LYS 24 2HD LYS 24 12.318 6.006 4.859 181 HE2 LYS 24 1HE LYS 24 12.114 4.066 3.376 182 HE3 LYS 24 2HE LYS 24 12.092 5.109 1.948 183 HZ1 LYS 24 3HZ LYS 24 14.139 4.336 1.892 184 HZ2 LYS 24 1HZ LYS 24 14.424 5.738 2.728 185 HZ3 LYS 24 2HZ LYS 24 14.399 4.309 3.524 186 H LEU 25 H LEU 25 8.384 5.225 1.932 187 HA LEU 25 HA LEU 25 6.276 4.422 3.904 188 HB2 LEU 25 1HB LEU 25 7.232 2.894 1.452 189 HB3 LEU 25 2HB LEU 25 5.899 2.486 2.528 190 HG LEU 25 HG LEU 25 5.227 5.090 1.763 191 HD11 LEU 25 1HD1 LEU 25 5.438 5.196 -0.686 192 HD12 LEU 25 2HD1 LEU 25 7.026 5.157 0.063 193 HD13 LEU 25 3HD1 LEU 25 6.376 3.691 -0.697 194 HD21 LEU 25 3HD2 LEU 25 3.490 4.103 0.403 195 HD22 LEU 25 1HD2 LEU 25 4.328 2.527 0.414 196 HD23 LEU 25 2HD2 LEU 25 3.685 3.232 1.917 197 H THR 26 H THR 26 6.748 2.674 5.379 198 HA THR 26 HA THR 26 9.451 1.540 5.324 199 HB THR 26 HB THR 26 9.828 1.971 7.649 200 HG1 THR 26 1HG THR 26 7.755 3.820 7.916 201 HG21 THR 26 3HG2 THR 26 9.131 4.642 6.381 202 HG22 THR 26 1HG2 THR 26 10.333 4.305 7.654 203 HG23 THR 26 2HG2 THR 26 10.595 3.701 6.018 204 H CYS 27 H CYS 27 9.561 -0.371 6.841 205 HA CYS 27 HA CYS 27 7.202 -1.581 7.906 206 HB2 CYS 27 1HB CYS 27 6.745 -1.890 5.465 207 HB3 CYS 27 2HB CYS 27 8.333 -2.570 5.247 208 HG CYS 27 HG CYS 27 5.966 -3.795 7.235 209 H SER 28 H SER 28 7.821 -3.749 8.740 210 HA SER 28 HA SER 28 10.433 -4.323 9.696 211 HB2 SER 28 1HB SER 28 8.036 -5.969 8.979 212 HB3 SER 28 2HB SER 28 9.528 -6.716 9.559 213 HG SER 28 HG SER 28 8.304 -4.582 10.984 214 H ASN 29 H ASN 29 8.747 -5.570 6.738 215 HA ASN 29 HA ASN 29 11.200 -6.718 5.735 216 HB2 ASN 29 1HB ASN 29 8.925 -7.628 5.175 217 HB3 ASN 29 2HB ASN 29 8.673 -6.220 4.124 218 HD21 ASN 29 1HD2 ASN 29 9.916 -9.322 4.256 219 HD22 ASN 29 2HD2 ASN 29 11.073 -9.347 2.955 220 H THR 30 H THR 30 12.835 -5.501 5.059 221 HA THR 30 HA THR 30 12.629 -2.761 4.413 222 HB THR 30 HB THR 30 15.035 -3.121 3.708 223 HG1 THR 30 1HG THR 30 15.795 -5.280 4.274 224 HG21 THR 30 3HG2 THR 30 14.201 -4.368 6.378 225 HG22 THR 30 1HG2 THR 30 15.817 -3.782 5.970 226 HG23 THR 30 2HG2 THR 30 14.460 -2.641 6.066 227 H LYS 31 H LYS 31 13.272 -5.546 2.231 228 HA LYS 31 HA LYS 31 13.223 -4.244 -0.239 229 HB2 LYS 31 1HB LYS 31 13.704 -6.480 -0.526 230 HB3 LYS 31 2HB LYS 31 12.459 -7.015 0.599 231 HG2 LYS 31 1HG LYS 31 11.856 -7.835 -1.524 232 HG3 LYS 31 2HG LYS 31 10.699 -6.613 -1.089 233 HD2 LYS 31 1HD LYS 31 11.021 -5.981 -3.226 234 HD3 LYS 31 2HD LYS 31 12.353 -5.032 -2.552 235 HE2 LYS 31 1HE LYS 31 13.975 -6.685 -3.197 236 HE3 LYS 31 2HE LYS 31 12.709 -7.885 -3.524 237 HZ1 LYS 31 3HZ LYS 31 13.556 -6.916 -5.559 238 HZ2 LYS 31 1HZ LYS 31 11.960 -6.585 -5.362 239 HZ3 LYS 31 2HZ LYS 31 13.117 -5.426 -5.088 240 H PHE 32 H PHE 32 10.312 -5.430 1.570 241 HA PHE 32 HA PHE 32 8.499 -4.775 -0.443 242 HB2 PHE 32 1HB PHE 32 8.003 -5.949 1.725 243 HB3 PHE 32 2HB PHE 32 8.056 -4.386 2.530 244 HD1 PHE 32 1HD PHE 32 6.516 -5.877 -0.541 245 HD2 PHE 32 2HD PHE 32 5.891 -3.440 2.952 246 HE1 PHE 32 1HE PHE 32 4.085 -5.810 -1.044 247 HE2 PHE 32 2HE PHE 32 3.485 -3.306 2.407 248 HZ PHE 32 HZ PHE 32 2.562 -4.514 0.431 249 H ALA 33 H ALA 33 9.498 -2.652 2.263 250 HA ALA 33 HA ALA 33 7.883 -0.436 1.344 251 HB1 ALA 33 1HB ALA 33 9.155 0.815 3.041 252 HB2 ALA 33 2HB ALA 33 8.524 -0.705 3.696 253 HB3 ALA 33 3HB ALA 33 10.247 -0.571 3.263 254 H ASP 34 H ASP 34 11.196 -1.509 0.781 255 HA ASP 34 HA ASP 34 12.166 0.987 -0.272 256 HB2 ASP 34 1HB ASP 34 13.510 -0.931 0.727 257 HB3 ASP 34 2HB ASP 34 13.303 -1.783 -0.811 258 H ASP 35 H ASP 35 10.894 -1.964 -1.783 259 HA ASP 35 HA ASP 35 11.119 -1.197 -4.541 260 HB2 ASP 35 1HB ASP 35 10.784 -3.483 -3.519 261 HB3 ASP 35 2HB ASP 35 9.088 -3.057 -3.343 262 H LEU 36 H LEU 36 8.554 -0.839 -2.060 263 HA LEU 36 HA LEU 36 6.677 0.466 -3.753 264 HB2 LEU 36 1HB LEU 36 7.101 0.561 -0.749 265 HB3 LEU 36 2HB LEU 36 5.819 1.471 -1.529 266 HG LEU 36 HG LEU 36 6.095 -1.545 -1.855 267 HD11 LEU 36 1HD1 LEU 36 4.296 -1.733 -0.163 268 HD12 LEU 36 2HD1 LEU 36 5.763 -1.035 0.530 269 HD13 LEU 36 3HD1 LEU 36 4.386 0.013 0.138 270 HD21 LEU 36 3HD2 LEU 36 4.744 -0.461 -3.589 271 HD22 LEU 36 1HD2 LEU 36 3.722 -1.409 -2.495 272 HD23 LEU 36 2HD2 LEU 36 3.775 0.364 -2.348 273 H ASN 37 H ASN 37 9.321 1.849 -1.659 274 HA ASN 37 HA ASN 37 8.781 4.581 -2.264 275 HB2 ASN 37 1HB ASN 37 11.241 3.063 -1.279 276 HB3 ASN 37 2HB ASN 37 11.289 4.727 -1.661 277 HD21 ASN 37 1HD2 ASN 37 10.400 2.485 0.706 278 HD22 ASN 37 2HD2 ASN 37 9.843 3.597 1.924 279 H GLN 38 H GLN 38 10.311 2.005 -4.167 280 HA GLN 38 HA GLN 38 11.860 3.749 -5.869 281 HB2 GLN 38 1HB GLN 38 11.316 0.878 -5.435 282 HB3 GLN 38 2HB GLN 38 11.484 1.296 -7.114 283 HG2 GLN 38 1HG GLN 38 13.524 2.439 -5.262 284 HG3 GLN 38 2HG GLN 38 13.451 0.699 -5.227 285 HE21 GLN 38 1HE2 GLN 38 15.238 3.054 -6.713 286 HE22 GLN 38 2HE2 GLN 38 15.548 2.211 -8.209 287 H MET 39 H MET 39 8.635 2.084 -6.042 288 HA MET 39 HA MET 39 8.024 2.735 -8.693 289 HB2 MET 39 1HB MET 39 6.254 2.445 -6.240 290 HB3 MET 39 2HB MET 39 5.658 2.456 -7.903 291 HG2 MET 39 1HG MET 39 6.598 0.374 -8.402 292 HG3 MET 39 2HG MET 39 7.759 0.454 -7.090 293 HE1 MET 39 3HE MET 39 4.096 1.483 -6.651 294 HE2 MET 39 1HE MET 39 3.573 -0.010 -7.433 295 HE3 MET 39 2HE MET 39 3.393 0.179 -5.684 296 H THR 40 H THR 40 7.669 4.709 -5.742 297 HA THR 40 HA THR 40 6.530 6.922 -7.327 298 HB THR 40 HB THR 40 5.498 6.035 -5.288 299 HG1 THR 40 1HG THR 40 6.207 8.711 -5.558 300 HG21 THR 40 3HG2 THR 40 6.395 6.603 -3.068 301 HG22 THR 40 1HG2 THR 40 7.478 5.524 -3.936 302 HG23 THR 40 2HG2 THR 40 7.865 7.252 -3.812 303 H GLY 41 H GLY 41 9.657 5.935 -6.730 304 HA2 GLY 41 1HA GLY 41 11.652 7.046 -6.903 305 HA3 GLY 41 2HA GLY 41 10.726 8.376 -7.610 306 H PHE 42 H PHE 42 10.134 7.338 -4.371 307 HA PHE 42 HA PHE 42 9.903 9.558 -2.930 308 HB2 PHE 42 1HB PHE 42 9.467 7.625 -1.772 309 HB3 PHE 42 2HB PHE 42 10.913 6.828 -2.370 310 HD1 PHE 42 2HD PHE 42 10.031 9.762 -0.121 311 HD2 PHE 42 1HD PHE 42 12.684 6.436 -0.965 312 HE1 PHE 42 2HE PHE 42 11.509 10.489 1.626 313 HE2 PHE 42 1HE PHE 42 14.086 7.066 0.916 314 HZ PHE 42 HZ PHE 42 13.531 9.169 2.241 315 H THR 43 H THR 43 10.967 11.317 -2.124 316 HA THR 43 HA THR 43 13.913 11.399 -2.539 317 HB THR 43 HB THR 43 11.830 13.614 -2.853 318 HG1 THR 43 1HG THR 43 11.615 12.130 -4.552 319 HG21 THR 43 3HG2 THR 43 13.699 14.794 -4.002 320 HG22 THR 43 1HG2 THR 43 14.097 14.456 -2.314 321 HG23 THR 43 2HG2 THR 43 14.777 13.440 -3.603 322 H LYS 44 H LYS 44 15.082 12.439 -0.861 323 HA LYS 44 HA LYS 44 13.672 12.614 1.716 324 HB2 LYS 44 1HB LYS 44 16.454 11.940 0.775 325 HB3 LYS 44 2HB LYS 44 16.344 12.879 2.236 326 HG2 LYS 44 1HG LYS 44 14.519 11.104 2.942 327 HG3 LYS 44 2HG LYS 44 15.308 10.136 1.682 328 HD2 LYS 44 1HD LYS 44 15.974 9.709 4.028 329 HD3 LYS 44 2HD LYS 44 17.318 10.046 2.904 330 HE2 LYS 44 1HE LYS 44 17.600 12.263 3.787 331 HE3 LYS 44 2HE LYS 44 16.145 12.142 4.785 332 HZ1 LYS 44 3HZ LYS 44 18.378 11.796 5.858 333 HZ2 LYS 44 1HZ LYS 44 17.215 10.688 6.226 334 HZ3 LYS 44 2HZ LYS 44 18.428 10.323 5.167 335 HA PRO 45 HA PRO 45 15.039 13.516 3.677 336 HB2 PRO 45 1HB PRO 45 13.578 15.693 5.010 337 HB3 PRO 45 2HB PRO 45 15.160 15.014 5.460 338 HG2 PRO 45 1HG PRO 45 14.897 17.523 4.373 339 HG3 PRO 45 2HG PRO 45 16.297 16.480 3.982 340 HD2 PRO 45 1HD PRO 45 13.769 16.917 2.398 341 HD3 PRO 45 2HD PRO 45 15.461 16.862 1.819 342 H ALA 46 H ALA 46 13.396 11.919 4.350 343 HA ALA 46 HA ALA 46 10.832 12.396 3.280 344 HB1 ALA 46 1HB ALA 46 11.316 10.235 5.290 345 HB2 ALA 46 2HB ALA 46 10.315 10.310 3.799 346 HB3 ALA 46 3HB ALA 46 12.076 10.184 3.684 347 H SER 47 H SER 47 9.323 13.712 4.216 348 HA SER 47 HA SER 47 9.647 14.789 6.852 349 HB2 SER 47 1HB SER 47 7.682 15.073 4.622 350 HB3 SER 47 2HB SER 47 7.019 15.345 6.226 351 HG SER 47 HG SER 47 9.165 16.750 5.014 352 H ARG 48 H ARG 48 7.860 11.967 5.668 353 HA ARG 48 HA ARG 48 7.232 11.272 8.410 354 HB2 ARG 48 1HB ARG 48 4.872 10.468 7.505 355 HB3 ARG 48 2HB ARG 48 5.105 12.067 8.199 356 HG2 ARG 48 1HG ARG 48 5.098 13.132 6.094 357 HG3 ARG 48 2HG ARG 48 5.268 11.612 5.221 358 HD2 ARG 48 1HD ARG 48 3.042 10.918 5.754 359 HD3 ARG 48 2HD ARG 48 2.836 12.237 6.915 360 HE ARG 48 HE ARG 48 3.359 13.617 4.680 361 HH11 ARG 48 2HH2 ARG 48 0.766 11.418 5.706 362 HH12 ARG 48 1HH2 ARG 48 -0.447 12.329 4.910 363 HH21 ARG 48 2HH1 ARG 48 1.800 14.528 3.251 364 HH22 ARG 48 1HH1 ARG 48 0.205 13.921 3.174 365 H GLU 49 H GLU 49 6.608 8.884 8.485 366 HA GLU 49 HA GLU 49 7.889 7.375 6.269 367 HB2 GLU 49 1HB GLU 49 8.944 7.679 9.064 368 HB3 GLU 49 2HB GLU 49 9.140 6.179 8.150 369 HG2 GLU 49 1HG GLU 49 10.328 7.210 6.401 370 HG3 GLU 49 2HG GLU 49 9.972 8.845 6.967 371 H LEU 50 H LEU 50 5.982 6.558 5.879 372 HA LEU 50 HA LEU 50 4.038 5.636 7.819 373 HB2 LEU 50 1HB LEU 50 4.197 5.318 4.790 374 HB3 LEU 50 2HB LEU 50 2.822 4.817 5.736 375 HG LEU 50 HG LEU 50 1.896 6.799 5.693 376 HD11 LEU 50 1HD1 LEU 50 4.442 8.286 6.365 377 HD12 LEU 50 2HD1 LEU 50 2.794 8.904 6.400 378 HD13 LEU 50 3HD1 LEU 50 3.251 7.667 7.552 379 HD21 LEU 50 3HD2 LEU 50 2.630 8.346 3.947 380 HD22 LEU 50 1HD2 LEU 50 4.171 7.432 3.874 381 HD23 LEU 50 2HD2 LEU 50 2.642 6.646 3.442 382 H SER 51 H SER 51 4.215 3.911 8.929 383 HA SER 51 HA SER 51 5.800 1.627 8.117 384 HB2 SER 51 1HB SER 51 5.022 0.839 10.367 385 HB3 SER 51 2HB SER 51 5.761 2.463 10.351 386 HG SER 51 HG SER 51 4.003 2.727 11.535 387 H VAL 52 H VAL 52 5.099 -0.304 7.260 388 HA VAL 52 HA VAL 52 2.208 -0.721 6.799 389 HB VAL 52 HB VAL 52 4.730 -2.229 6.118 390 HG11 VAL 52 1HG1 VAL 52 2.951 -3.915 6.315 391 HG12 VAL 52 2HG1 VAL 52 1.864 -2.901 5.333 392 HG13 VAL 52 3HG1 VAL 52 3.313 -3.652 4.622 393 HG21 VAL 52 3HG2 VAL 52 4.415 -0.160 4.819 394 HG22 VAL 52 1HG2 VAL 52 4.168 -1.551 3.777 395 HG23 VAL 52 2HG2 VAL 52 2.762 -0.664 4.400 396 H THR 53 H THR 53 1.121 -2.585 7.805 397 HA THR 53 HA THR 53 2.711 -4.239 9.633 398 HB THR 53 HB THR 53 0.613 -4.308 11.147 399 HG1 THR 53 1HG THR 53 0.225 -1.979 9.658 400 HG21 THR 53 3HG2 THR 53 2.840 -3.519 11.880 401 HG22 THR 53 1HG2 THR 53 2.481 -1.890 11.273 402 HG23 THR 53 2HG2 THR 53 1.549 -2.574 12.621 403 H PHE 54 H PHE 54 2.036 -6.421 9.599 404 HA PHE 54 HA PHE 54 0.390 -7.092 7.229 405 HB2 PHE 54 1HB PHE 54 2.286 -8.728 8.967 406 HB3 PHE 54 2HB PHE 54 1.467 -9.318 7.517 407 HD1 PHE 54 2HD PHE 54 1.799 -7.674 5.415 408 HD2 PHE 54 1HD PHE 54 4.522 -8.092 8.714 409 HE1 PHE 54 2HE PHE 54 3.592 -6.731 4.041 410 HE2 PHE 54 1HE PHE 54 6.381 -7.296 7.267 411 HZ PHE 54 HZ PHE 54 5.926 -6.592 4.914 412 H PHE 55 H PHE 55 -1.633 -8.073 7.473 413 HA PHE 55 HA PHE 55 -2.764 -8.048 9.953 414 HB2 PHE 55 1HB PHE 55 -3.643 -8.462 7.380 415 HB3 PHE 55 2HB PHE 55 -4.074 -9.964 8.148 416 HD1 PHE 55 1HD PHE 55 -4.149 -6.247 8.839 417 HD2 PHE 55 2HD PHE 55 -6.160 -10.039 9.259 418 HE1 PHE 55 1HE PHE 55 -6.169 -5.087 9.693 419 HE2 PHE 55 2HE PHE 55 -8.107 -8.874 10.269 420 HZ PHE 55 HZ PHE 55 -8.128 -6.391 10.408 421 HA PRO 56 HA PRO 56 -4.181 -8.818 11.300 422 HB2 PRO 56 1HB PRO 56 -4.823 -9.925 13.669 423 HB3 PRO 56 2HB PRO 56 -5.424 -10.583 12.124 424 HG2 PRO 56 1HG PRO 56 -3.145 -11.599 13.821 425 HG3 PRO 56 2HG PRO 56 -4.420 -12.538 13.001 426 HD2 PRO 56 1HD PRO 56 -1.841 -12.057 11.981 427 HD3 PRO 56 2HD PRO 56 -3.255 -12.505 10.989 428 H ASP 57 H ASP 57 -2.361 -7.313 11.307 429 HA ASP 57 HA ASP 57 -1.935 -6.260 13.928 430 HB2 ASP 57 1HB ASP 57 0.236 -7.423 13.498 431 HB3 ASP 57 2HB ASP 57 0.365 -6.584 11.945 432 H LEU 58 H LEU 58 -2.235 -4.086 13.649 433 HA LEU 58 HA LEU 58 -2.592 -2.794 11.074 434 HB2 LEU 58 1HB LEU 58 -5.011 -2.318 11.586 435 HB3 LEU 58 2HB LEU 58 -4.671 -3.953 11.066 436 HG LEU 58 HG LEU 58 -4.623 -3.565 14.037 437 HD11 LEU 58 1HD1 LEU 58 -7.024 -3.557 14.307 438 HD12 LEU 58 2HD1 LEU 58 -6.509 -2.104 13.435 439 HD13 LEU 58 3HD1 LEU 58 -7.257 -3.460 12.548 440 HD21 LEU 58 3HD2 LEU 58 -5.825 -5.679 14.026 441 HD22 LEU 58 1HD2 LEU 58 -6.058 -5.595 12.267 442 HD23 LEU 58 2HD2 LEU 58 -4.445 -5.824 12.930 443 H ASN 59 H ASN 59 -0.764 -2.265 13.087 444 HA ASN 59 HA ASN 59 -1.845 0.101 14.557 445 HB2 ASN 59 1HB ASN 59 0.724 -1.510 14.846 446 HB3 ASN 59 2HB ASN 59 0.348 -0.031 15.709 447 HD21 ASN 59 1HD2 ASN 59 -0.678 -3.350 15.211 448 HD22 ASN 59 2HD2 ASN 59 -1.590 -3.556 16.699 449 H GLY 60 H GLY 60 0.124 -0.919 11.883 450 HA2 GLY 60 1HA GLY 60 1.806 1.410 11.735 451 HA3 GLY 60 2HA GLY 60 1.571 0.203 10.451 452 H ASP 61 H ASP 61 1.833 2.863 9.786 453 HA ASP 61 HA ASP 61 -0.682 4.297 9.769 454 HB2 ASP 61 1HB ASP 61 1.931 5.105 9.316 455 HB3 ASP 61 2HB ASP 61 1.454 4.842 7.667 456 H VAL 62 H VAL 62 0.627 1.825 7.796 457 HA VAL 62 HA VAL 62 -1.825 1.843 6.134 458 HB VAL 62 HB VAL 62 0.968 1.188 5.114 459 HG11 VAL 62 1HG1 VAL 62 -0.156 1.203 2.877 460 HG12 VAL 62 2HG1 VAL 62 -0.730 -0.084 3.933 461 HG13 VAL 62 3HG1 VAL 62 -1.724 1.366 3.692 462 HG21 VAL 62 3HG2 VAL 62 -0.736 3.664 4.579 463 HG22 VAL 62 1HG2 VAL 62 0.821 3.633 5.429 464 HG23 VAL 62 2HG2 VAL 62 0.762 3.243 3.709 465 H VAL 63 H VAL 63 -2.661 -0.263 5.901 466 HA VAL 63 HA VAL 63 -1.296 -2.397 7.505 467 HB VAL 63 HB VAL 63 -4.174 -2.217 6.618 468 HG11 VAL 63 1HG1 VAL 63 -3.547 -4.512 7.128 469 HG12 VAL 63 2HG1 VAL 63 -2.797 -3.999 8.662 470 HG13 VAL 63 3HG1 VAL 63 -4.556 -3.888 8.425 471 HG21 VAL 63 3HG2 VAL 63 -2.912 -1.358 9.265 472 HG22 VAL 63 1HG2 VAL 63 -3.915 -0.386 8.171 473 HG23 VAL 63 2HG2 VAL 63 -4.654 -1.681 9.076 474 H ALA 64 H ALA 64 -1.313 -4.609 6.486 475 HA ALA 64 HA ALA 64 -1.412 -4.522 3.500 476 HB1 ALA 64 1HB ALA 64 0.546 -5.886 5.366 477 HB2 ALA 64 2HB ALA 64 0.433 -6.228 3.620 478 HB3 ALA 64 3HB ALA 64 0.894 -4.616 4.191 479 H ILE 65 H ILE 65 -2.583 -6.025 2.532 480 HA ILE 65 HA ILE 65 -3.923 -8.092 4.151 481 HB ILE 65 HB ILE 65 -4.987 -6.266 2.015 482 HG12 ILE 65 1HG1 ILE 65 -4.863 -5.288 4.293 483 HG13 ILE 65 2HG1 ILE 65 -6.495 -5.465 3.725 484 HG21 ILE 65 1HG2 ILE 65 -7.169 -7.368 2.249 485 HG22 ILE 65 2HG2 ILE 65 -5.955 -8.476 1.611 486 HG23 ILE 65 3HG2 ILE 65 -6.451 -8.604 3.303 487 HD11 ILE 65 3HD1 ILE 65 -6.257 -6.021 6.127 488 HD12 ILE 65 1HD1 ILE 65 -6.841 -7.417 5.219 489 HD13 ILE 65 2HD1 ILE 65 -5.148 -7.343 5.752 490 H ASP 66 H ASP 66 -4.290 -10.125 2.954 491 HA ASP 66 HA ASP 66 -1.969 -10.732 1.330 492 HB2 ASP 66 1HB ASP 66 -3.057 -12.275 3.025 493 HB3 ASP 66 2HB ASP 66 -4.369 -12.517 1.868 494 H TYR 67 H TYR 67 -1.876 -11.119 -0.760 495 HA TYR 67 HA TYR 67 -3.421 -9.801 -2.705 496 HB2 TYR 67 1HB TYR 67 -1.228 -10.239 -3.249 497 HB3 TYR 67 2HB TYR 67 -1.247 -11.845 -2.550 498 HD1 TYR 67 1HD TYR 67 -2.005 -13.800 -3.729 499 HD2 TYR 67 2HD TYR 67 -1.911 -9.924 -5.612 500 HE1 TYR 67 1HE TYR 67 -2.153 -14.891 -5.926 501 HE2 TYR 67 2HE TYR 67 -2.056 -11.030 -7.861 502 HH TYR 67 HH TYR 67 -1.951 -14.580 -8.199 503 H ARG 68 H ARG 68 -4.167 -12.811 -1.178 504 HA ARG 68 HA ARG 68 -5.706 -14.062 -3.268 505 HB2 ARG 68 1HB ARG 68 -5.860 -14.496 -0.257 506 HB3 ARG 68 2HB ARG 68 -6.276 -15.635 -1.553 507 HG2 ARG 68 1HG ARG 68 -3.834 -15.105 -2.355 508 HG3 ARG 68 2HG ARG 68 -3.593 -14.575 -0.715 509 HD2 ARG 68 1HD ARG 68 -4.217 -16.823 0.144 510 HD3 ARG 68 2HD ARG 68 -4.250 -17.412 -1.534 511 HE ARG 68 HE ARG 68 -1.962 -16.560 0.099 512 HH11 ARG 68 2HH2 ARG 68 -2.981 -17.571 -3.186 513 HH12 ARG 68 1HH2 ARG 68 -1.383 -17.465 -3.844 514 HH21 ARG 68 2HH1 ARG 68 0.060 -16.155 -0.915 515 HH22 ARG 68 1HH1 ARG 68 0.431 -16.760 -2.486 516 H HIS 69 H HIS 69 -6.222 -11.411 -1.704 517 HA HIS 69 HA HIS 69 -9.186 -11.440 -2.242 518 HB2 HIS 69 1HB HIS 69 -7.712 -10.130 0.029 519 HB3 HIS 69 2HB HIS 69 -9.177 -9.375 -0.593 520 HD1 HIS 69 1HD HIS 69 -9.689 -13.017 -0.933 521 HD2 HIS 69 2HD HIS 69 -10.030 -10.039 2.053 522 HE1 HIS 69 1HE HIS 69 -11.364 -13.884 0.766 523 H TYR 70 H TYR 70 -6.479 -10.518 -3.784 524 HA TYR 70 HA TYR 70 -7.250 -7.875 -4.635 525 HB2 TYR 70 1HB TYR 70 -4.914 -8.580 -4.672 526 HB3 TYR 70 2HB TYR 70 -5.305 -9.871 -5.805 527 HD1 TYR 70 1HD TYR 70 -7.111 -6.774 -6.593 528 HD2 TYR 70 2HD TYR 70 -3.428 -8.962 -7.135 529 HE1 TYR 70 1HE TYR 70 -6.526 -5.296 -8.435 530 HE2 TYR 70 2HE TYR 70 -2.879 -7.560 -9.100 531 HH TYR 70 HH TYR 70 -4.855 -4.725 -9.989 532 H SER 71 H SER 71 -9.533 -8.810 -4.874 533 HA SER 71 HA SER 71 -10.056 -9.955 -7.460 534 HB2 SER 71 1HB SER 71 -11.570 -9.936 -5.280 535 HB3 SER 71 2HB SER 71 -12.132 -8.367 -5.919 536 HG SER 71 HG SER 71 -12.275 -10.976 -7.046 537 H ALA 72 H ALA 72 -11.413 -8.882 -9.070 538 HA ALA 72 HA ALA 72 -10.057 -6.508 -9.996 539 HB1 ALA 72 1HB ALA 72 -11.684 -6.723 -11.896 540 HB2 ALA 72 2HB ALA 72 -10.785 -8.217 -11.555 541 HB3 ALA 72 3HB ALA 72 -12.476 -8.043 -11.022 542 H SER 73 H SER 73 -12.759 -6.791 -7.825 543 HA SER 73 HA SER 73 -13.964 -4.227 -8.278 544 HB2 SER 73 1HB SER 73 -13.608 -6.123 -5.992 545 HB3 SER 73 2HB SER 73 -13.708 -4.475 -5.547 546 HG SER 73 HG SER 73 -15.782 -4.925 -5.666 547 H PHE 74 H PHE 74 -10.984 -5.227 -6.586 548 HA PHE 74 HA PHE 74 -10.329 -2.562 -5.616 549 HB2 PHE 74 1HB PHE 74 -8.767 -5.111 -5.257 550 HB3 PHE 74 2HB PHE 74 -8.806 -3.679 -4.255 551 HD1 PHE 74 1HD PHE 74 -10.771 -3.281 -2.641 552 HD2 PHE 74 2HD PHE 74 -10.417 -6.874 -4.964 553 HE1 PHE 74 1HE PHE 74 -12.429 -4.411 -1.166 554 HE2 PHE 74 2HE PHE 74 -12.157 -7.950 -3.542 555 HZ PHE 74 HZ PHE 74 -13.177 -6.698 -1.677 556 H LYS 75 H LYS 75 -10.357 -3.112 -8.522 557 HA LYS 75 HA LYS 75 -7.850 -3.505 -9.646 558 HB2 LYS 75 1HB LYS 75 -9.551 -3.849 -11.150 559 HB3 LYS 75 2HB LYS 75 -10.612 -2.756 -10.301 560 HG2 LYS 75 1HG LYS 75 -10.671 -1.742 -12.187 561 HG3 LYS 75 2HG LYS 75 -9.403 -0.833 -11.437 562 HD2 LYS 75 1HD LYS 75 -8.547 -3.158 -13.156 563 HD3 LYS 75 2HD LYS 75 -9.378 -1.832 -13.957 564 HE2 LYS 75 1HE LYS 75 -7.423 -0.867 -14.153 565 HE3 LYS 75 2HE LYS 75 -7.679 -0.362 -12.470 566 HZ1 LYS 75 3HZ LYS 75 -6.299 -2.066 -11.732 567 HZ2 LYS 75 1HZ LYS 75 -6.210 -2.803 -13.243 568 HZ3 LYS 75 2HZ LYS 75 -5.485 -1.359 -12.953 569 H LYS 76 H LYS 76 -9.274 -0.694 -8.099 570 HA LYS 76 HA LYS 76 -7.138 1.095 -9.147 571 HB2 LYS 76 1HB LYS 76 -9.973 1.760 -8.393 572 HB3 LYS 76 2HB LYS 76 -8.724 2.941 -8.807 573 HG2 LYS 76 1HG LYS 76 -8.507 1.538 -11.026 574 HG3 LYS 76 2HG LYS 76 -10.077 0.867 -10.504 575 HD2 LYS 76 1HD LYS 76 -11.050 3.036 -10.409 576 HD3 LYS 76 2HD LYS 76 -9.569 3.824 -10.948 577 HE2 LYS 76 1HE LYS 76 -9.659 2.690 -13.097 578 HE3 LYS 76 2HE LYS 76 -10.948 1.612 -12.521 579 HZ1 LYS 76 3HZ LYS 76 -11.843 3.290 -13.894 580 HZ2 LYS 76 1HZ LYS 76 -12.417 3.429 -12.376 581 HZ3 LYS 76 2HZ LYS 76 -11.252 4.510 -12.940 582 H GLY 77 H GLY 77 -7.460 -0.718 -6.525 583 HA2 GLY 77 1HA GLY 77 -6.022 -0.250 -4.641 584 HA3 GLY 77 2HA GLY 77 -6.635 1.410 -4.603 585 H ALA 78 H ALA 78 -6.894 0.342 -2.268 586 HA ALA 78 HA ALA 78 -9.717 -0.130 -1.859 587 HB1 ALA 78 1HB ALA 78 -9.476 -2.320 -0.787 588 HB2 ALA 78 2HB ALA 78 -8.840 -2.414 -2.441 589 HB3 ALA 78 3HB ALA 78 -7.727 -2.292 -1.087 590 H LYS 79 H LYS 79 -10.110 -0.579 0.509 591 HA LYS 79 HA LYS 79 -8.180 0.464 2.420 592 HB2 LYS 79 1HB LYS 79 -10.051 1.957 3.360 593 HB3 LYS 79 2HB LYS 79 -9.172 2.565 1.966 594 HG2 LYS 79 1HG LYS 79 -10.982 2.237 0.480 595 HG3 LYS 79 2HG LYS 79 -11.713 1.039 1.494 596 HD2 LYS 79 1HD LYS 79 -12.126 2.910 3.179 597 HD3 LYS 79 2HD LYS 79 -11.732 4.048 1.888 598 HE2 LYS 79 1HE LYS 79 -13.654 3.431 0.628 599 HE3 LYS 79 2HE LYS 79 -13.768 1.855 1.419 600 HZ1 LYS 79 3HZ LYS 79 -15.490 3.221 2.218 601 HZ2 LYS 79 1HZ LYS 79 -14.450 2.977 3.457 602 HZ3 LYS 79 2HZ LYS 79 -14.480 4.438 2.664 603 H LEU 80 H LEU 80 -9.238 0.130 4.661 604 HA LEU 80 HA LEU 80 -10.832 -2.377 4.729 605 HB2 LEU 80 1HB LEU 80 -8.219 -2.250 5.364 606 HB3 LEU 80 2HB LEU 80 -8.848 -1.503 6.843 607 HG LEU 80 HG LEU 80 -10.270 -3.631 7.068 608 HD11 LEU 80 1HD1 LEU 80 -10.087 -4.573 4.812 609 HD12 LEU 80 2HD1 LEU 80 -8.305 -4.616 4.943 610 HD13 LEU 80 3HD1 LEU 80 -9.318 -5.671 5.945 611 HD21 LEU 80 3HD2 LEU 80 -8.199 -3.143 8.373 612 HD22 LEU 80 1HD2 LEU 80 -8.455 -4.870 8.083 613 HD23 LEU 80 2HD2 LEU 80 -7.246 -3.965 7.129 614 H LEU 81 H LEU 81 -11.244 -2.166 7.545 615 HA LEU 81 HA LEU 81 -13.572 -1.035 7.926 616 HB2 LEU 81 1HB LEU 81 -11.842 -2.156 9.617 617 HB3 LEU 81 2HB LEU 81 -11.594 -0.543 10.154 618 HG LEU 81 HG LEU 81 -14.403 -0.695 10.042 619 HD11 LEU 81 1HD1 LEU 81 -14.153 -3.174 9.803 620 HD12 LEU 81 2HD1 LEU 81 -13.299 -3.219 11.359 621 HD13 LEU 81 3HD1 LEU 81 -14.999 -2.698 11.273 622 HD21 LEU 81 3HD2 LEU 81 -14.265 -0.636 12.508 623 HD22 LEU 81 1HD2 LEU 81 -12.541 -1.059 12.427 624 HD23 LEU 81 2HD2 LEU 81 -13.119 0.484 11.770 625 H HIS 82 H HIS 82 -10.647 0.845 8.694 626 HA HIS 82 HA HIS 82 -11.971 3.200 7.506 627 HB2 HIS 82 1HB HIS 82 -11.288 4.742 9.243 628 HB3 HIS 82 2HB HIS 82 -12.423 3.553 9.854 629 HD1 HIS 82 1HD HIS 82 -9.387 5.197 10.883 630 HD2 HIS 82 2HD HIS 82 -11.015 1.320 11.162 631 HE1 HIS 82 1HE HIS 82 -8.238 4.072 12.876 632 H LYS 83 H LYS 83 -9.099 1.346 8.164 633 HA LYS 83 HA LYS 83 -7.299 3.510 7.342 634 HB2 LYS 83 1HB LYS 83 -6.961 0.686 8.470 635 HB3 LYS 83 2HB LYS 83 -5.621 1.701 7.977 636 HG2 LYS 83 1HG LYS 83 -6.789 3.498 9.529 637 HG3 LYS 83 2HG LYS 83 -7.659 2.145 10.180 638 HD2 LYS 83 1HD LYS 83 -4.695 1.770 9.985 639 HD3 LYS 83 2HD LYS 83 -5.157 2.968 11.114 640 HE2 LYS 83 1HE LYS 83 -6.970 0.798 11.565 641 HE3 LYS 83 2HE LYS 83 -5.484 0.007 11.063 642 HZ1 LYS 83 3HZ LYS 83 -4.357 1.456 12.761 643 HZ2 LYS 83 1HZ LYS 83 -5.824 1.715 13.451 644 HZ3 LYS 83 2HZ LYS 83 -5.191 0.188 13.307 645 HA PRO 84 HA PRO 84 -6.736 1.885 3.286 646 HB2 PRO 84 1HB PRO 84 -4.354 2.761 2.540 647 HB3 PRO 84 2HB PRO 84 -5.614 3.929 3.035 648 HG2 PRO 84 1HG PRO 84 -3.328 2.841 4.726 649 HG3 PRO 84 2HG PRO 84 -3.799 4.546 4.513 650 HD2 PRO 84 1HD PRO 84 -4.643 2.978 6.602 651 HD3 PRO 84 2HD PRO 84 -5.638 4.301 5.968 652 H ILE 85 H ILE 85 -5.276 0.394 1.890 653 HA ILE 85 HA ILE 85 -3.808 -1.538 3.572 654 HB ILE 85 HB ILE 85 -5.012 -3.441 2.784 655 HG12 ILE 85 1HG1 ILE 85 -7.164 -2.547 1.235 656 HG13 ILE 85 2HG1 ILE 85 -5.888 -1.554 0.599 657 HG21 ILE 85 1HG2 ILE 85 -7.049 -1.368 3.496 658 HG22 ILE 85 2HG2 ILE 85 -7.198 -3.129 3.551 659 HG23 ILE 85 3HG2 ILE 85 -6.020 -2.340 4.586 660 HD11 ILE 85 3HD1 ILE 85 -5.854 -4.601 0.775 661 HD12 ILE 85 1HD1 ILE 85 -6.089 -3.645 -0.691 662 HD13 ILE 85 2HD1 ILE 85 -4.529 -3.610 0.131 663 H VAL 86 H VAL 86 -2.412 -3.011 2.297 664 HA VAL 86 HA VAL 86 -1.956 -2.319 -0.551 665 HB VAL 86 HB VAL 86 0.472 -2.939 -0.213 666 HG11 VAL 86 1HG1 VAL 86 1.154 -0.701 0.481 667 HG12 VAL 86 2HG1 VAL 86 -0.201 -0.697 -0.647 668 HG13 VAL 86 3HG1 VAL 86 -0.488 -0.377 1.085 669 HG21 VAL 86 3HG2 VAL 86 -0.057 -2.388 2.729 670 HG22 VAL 86 1HG2 VAL 86 0.405 -3.954 2.001 671 HG23 VAL 86 2HG2 VAL 86 1.510 -2.567 1.959 672 H TRP 87 H TRP 87 -0.999 -4.163 -1.724 673 HA TRP 87 HA TRP 87 -1.892 -6.776 -0.607 674 HB2 TRP 87 1HB TRP 87 -0.824 -6.163 -3.389 675 HB3 TRP 87 2HB TRP 87 -1.529 -7.668 -2.819 676 HD1 TRP 87 HD TRP 87 -2.416 -4.544 -4.500 677 HE1 TRP 87 1HE TRP 87 -4.978 -4.218 -4.676 678 HE3 TRP 87 3HE TRP 87 -3.914 -8.061 -1.106 679 HZ2 TRP 87 2HZ TRP 87 -7.325 -5.338 -3.480 680 HZ3 TRP 87 3HZ TRP 87 -6.304 -8.397 -0.638 681 HH2 TRP 87 HH TRP 87 -8.021 -7.063 -1.834 682 H HIS 88 H HIS 88 -0.391 -8.056 0.340 683 HA HIS 88 HA HIS 88 2.457 -7.807 -0.553 684 HB2 HIS 88 1HB HIS 88 3.306 -8.311 1.488 685 HB3 HIS 88 2HB HIS 88 2.150 -7.040 1.838 686 HD1 HIS 88 1HD HIS 88 3.387 -9.736 3.626 687 HD2 HIS 88 2HD HIS 88 -0.479 -8.604 2.456 688 HE1 HIS 88 1HE HIS 88 1.818 -11.134 5.012 689 H ILE 89 H ILE 89 3.532 -9.713 -0.895 690 HA ILE 89 HA ILE 89 2.019 -12.264 -0.679 691 HB ILE 89 HB ILE 89 3.717 -11.258 -2.992 692 HG12 ILE 89 1HG1 ILE 89 0.959 -12.591 -2.887 693 HG13 ILE 89 2HG1 ILE 89 1.232 -10.854 -3.031 694 HG21 ILE 89 1HG2 ILE 89 2.882 -14.132 -2.372 695 HG22 ILE 89 2HG2 ILE 89 3.708 -13.588 -3.861 696 HG23 ILE 89 3HG2 ILE 89 4.538 -13.505 -2.325 697 HD11 ILE 89 3HD1 ILE 89 1.928 -12.984 -5.088 698 HD12 ILE 89 1HD1 ILE 89 0.766 -11.668 -5.231 699 HD13 ILE 89 2HD1 ILE 89 2.496 -11.300 -5.184 700 H ASN 90 H ASN 90 3.047 -13.141 1.075 701 HA ASN 90 HA ASN 90 4.628 -14.026 2.343 702 HB2 ASN 90 1HB ASN 90 6.483 -15.128 1.405 703 HB3 ASN 90 2HB ASN 90 5.130 -15.317 0.339 704 HD21 ASN 90 1HD2 ASN 90 7.907 -13.053 0.771 705 HD22 ASN 90 2HD2 ASN 90 8.437 -13.131 -0.907 706 H GLN 91 H GLN 91 4.486 -11.135 2.181 707 HA GLN 91 HA GLN 91 5.347 -9.371 3.281 708 HB2 GLN 91 1HB GLN 91 7.893 -10.855 3.973 709 HB3 GLN 91 2HB GLN 91 7.303 -9.328 4.609 710 HG2 GLN 91 1HG GLN 91 5.307 -10.529 5.561 711 HG3 GLN 91 2HG GLN 91 6.087 -12.055 5.135 712 HE21 GLN 91 1HE2 GLN 91 8.800 -11.713 5.864 713 HE22 GLN 91 2HE2 GLN 91 8.872 -11.156 7.533 714 H ALA 92 H ALA 92 5.981 -10.242 0.340 715 HA ALA 92 HA ALA 92 8.065 -8.204 -0.172 716 HB1 ALA 92 1HB ALA 92 7.600 -10.844 -1.639 717 HB2 ALA 92 2HB ALA 92 8.793 -9.598 -2.078 718 HB3 ALA 92 3HB ALA 92 8.959 -10.495 -0.557 719 H THR 93 H THR 93 7.805 -7.579 -2.601 720 HA THR 93 HA THR 93 5.010 -7.622 -3.467 721 HB THR 93 HB THR 93 5.525 -5.342 -2.620 722 HG1 THR 93 1HG THR 93 4.971 -4.324 -4.672 723 HG21 THR 93 3HG2 THR 93 7.930 -5.147 -3.216 724 HG22 THR 93 1HG2 THR 93 7.475 -5.071 -4.931 725 HG23 THR 93 2HG2 THR 93 6.962 -3.792 -3.811 726 H THR 94 H THR 94 4.915 -7.496 -5.843 727 HA THR 94 HA THR 94 7.070 -8.994 -7.199 728 HB THR 94 HB THR 94 5.299 -10.588 -7.882 729 HG1 THR 94 1HG THR 94 3.602 -9.168 -6.108 730 HG21 THR 94 3HG2 THR 94 4.915 -11.807 -5.839 731 HG22 THR 94 1HG2 THR 94 6.540 -11.100 -5.757 732 HG23 THR 94 2HG2 THR 94 5.206 -10.373 -4.843 733 H LYS 95 H LYS 95 6.248 -9.112 -9.714 734 HA LYS 95 HA LYS 95 5.573 -6.437 -10.511 735 HB2 LYS 95 1HB LYS 95 5.808 -9.043 -11.980 736 HB3 LYS 95 2HB LYS 95 4.860 -7.742 -12.729 737 HG2 LYS 95 1HG LYS 95 6.712 -6.141 -12.357 738 HG3 LYS 95 2HG LYS 95 7.697 -7.454 -11.675 739 HD2 LYS 95 1HD LYS 95 7.689 -8.603 -13.818 740 HD3 LYS 95 2HD LYS 95 6.562 -7.441 -14.506 741 HE2 LYS 95 1HE LYS 95 8.867 -6.966 -15.246 742 HE3 LYS 95 2HE LYS 95 8.161 -5.626 -14.332 743 HZ1 LYS 95 3HZ LYS 95 9.421 -6.315 -12.401 744 HZ2 LYS 95 1HZ LYS 95 10.027 -7.621 -13.200 745 HZ3 LYS 95 2HZ LYS 95 10.441 -6.080 -13.649 746 H THR 96 H THR 96 3.475 -9.314 -9.961 747 HA THR 96 HA THR 96 1.167 -7.991 -10.965 748 HB THR 96 HB THR 96 1.407 -10.414 -9.141 749 HG1 THR 96 1HG THR 96 1.712 -11.512 -11.001 750 HG21 THR 96 3HG2 THR 96 -0.671 -11.157 -10.271 751 HG22 THR 96 1HG2 THR 96 -0.952 -9.634 -9.413 752 HG23 THR 96 2HG2 THR 96 -0.743 -9.626 -11.176 753 H THR 97 H THR 97 2.645 -7.937 -7.680 754 HA THR 97 HA THR 97 0.236 -6.531 -6.689 755 HB THR 97 HB THR 97 1.467 -6.423 -4.543 756 HG1 THR 97 1HG THR 97 3.528 -6.592 -4.938 757 HG21 THR 97 3HG2 THR 97 1.252 -8.791 -3.999 758 HG22 THR 97 1HG2 THR 97 -0.102 -8.266 -5.008 759 HG23 THR 97 2HG2 THR 97 1.210 -9.225 -5.723 760 H PHE 98 H PHE 98 3.128 -5.722 -8.332 761 HA PHE 98 HA PHE 98 3.729 -3.181 -7.137 762 HB2 PHE 98 1HB PHE 98 5.498 -3.644 -8.454 763 HB3 PHE 98 2HB PHE 98 4.602 -4.717 -9.480 764 HD1 PHE 98 2HD PHE 98 4.941 -1.029 -8.886 765 HD2 PHE 98 1HD PHE 98 4.286 -4.182 -11.737 766 HE1 PHE 98 2HE PHE 98 4.950 0.644 -10.736 767 HE2 PHE 98 1HE PHE 98 4.340 -2.528 -13.578 768 HZ PHE 98 HZ PHE 98 4.649 -0.110 -13.084 769 H LYS 99 H LYS 99 2.005 -4.049 -10.116 770 HA LYS 99 HA LYS 99 1.023 -1.610 -10.897 771 HB2 LYS 99 1HB LYS 99 0.065 -4.438 -11.109 772 HB3 LYS 99 2HB LYS 99 -1.064 -3.190 -11.613 773 HG2 LYS 99 1HG LYS 99 1.749 -3.405 -12.753 774 HG3 LYS 99 2HG LYS 99 0.291 -4.101 -13.486 775 HD2 LYS 99 1HD LYS 99 -0.741 -1.829 -13.520 776 HD3 LYS 99 2HD LYS 99 0.804 -1.147 -12.972 777 HE2 LYS 99 1HE LYS 99 1.910 -2.110 -14.993 778 HE3 LYS 99 2HE LYS 99 0.331 -2.696 -15.551 779 HZ1 LYS 99 3HZ LYS 99 1.008 0.124 -15.020 780 HZ2 LYS 99 1HZ LYS 99 0.910 -0.546 -16.522 781 HZ3 LYS 99 2HZ LYS 99 -0.438 -0.403 -15.542 782 HA PRO 100 HA PRO 100 -2.964 -1.809 -8.370 783 HB2 PRO 100 1HB PRO 100 -3.281 -3.486 -6.258 784 HB3 PRO 100 2HB PRO 100 -3.713 -3.931 -7.927 785 HG2 PRO 100 1HG PRO 100 -1.139 -4.557 -6.449 786 HG3 PRO 100 2HG PRO 100 -2.147 -5.693 -7.363 787 HD2 PRO 100 1HD PRO 100 0.012 -4.608 -8.531 788 HD3 PRO 100 2HD PRO 100 -1.517 -4.772 -9.445 789 H ASN 101 H ASN 101 0.152 -2.581 -6.441 790 HA ASN 101 HA ASN 101 -0.632 -0.978 -4.301 791 HB2 ASN 101 1HB ASN 101 1.940 -2.139 -5.270 792 HB3 ASN 101 2HB ASN 101 1.859 -0.985 -3.999 793 HD21 ASN 101 1HD2 ASN 101 2.465 -3.963 -3.844 794 HD22 ASN 101 2HD2 ASN 101 1.283 -4.465 -2.624 795 H THR 102 H THR 102 0.751 -0.142 -7.516 796 HA THR 102 HA THR 102 1.658 2.460 -6.823 797 HB THR 102 HB THR 102 1.431 3.127 -9.022 798 HG1 THR 102 1HG THR 102 -0.239 0.861 -9.560 799 HG21 THR 102 3HG2 THR 102 3.132 1.445 -8.906 800 HG22 THR 102 1HG2 THR 102 1.903 0.190 -9.285 801 HG23 THR 102 2HG2 THR 102 2.325 1.416 -10.471 802 H TRP 103 H TRP 103 -1.598 1.267 -7.363 803 HA TRP 103 HA TRP 103 -2.916 3.862 -7.139 804 HB2 TRP 103 1HB TRP 103 -4.083 1.063 -6.883 805 HB3 TRP 103 2HB TRP 103 -4.952 2.563 -6.902 806 HD1 TRP 103 HD TRP 103 -3.018 0.294 -9.304 807 HE1 TRP 103 1HE TRP 103 -3.993 0.594 -11.635 808 HE3 TRP 103 3HE TRP 103 -6.006 4.292 -8.342 809 HZ2 TRP 103 2HZ TRP 103 -6.112 2.250 -12.871 810 HZ3 TRP 103 3HZ TRP 103 -7.555 5.187 -10.082 811 HH2 TRP 103 HH TRP 103 -7.627 4.127 -12.323 812 H CYS 104 H CYS 104 -1.760 1.436 -4.841 813 HA CYS 104 HA CYS 104 -3.139 2.585 -2.550 814 HB2 CYS 104 1HB CYS 104 -2.169 0.594 -1.887 815 HB3 CYS 104 2HB CYS 104 -0.716 0.802 -2.848 816 HG CYS 104 HG CYS 104 -1.559 2.686 -0.258 817 H LEU 105 H LEU 105 0.039 3.187 -4.204 818 HA LEU 105 HA LEU 105 0.915 5.164 -2.366 819 HB2 LEU 105 1HB LEU 105 1.619 4.819 -5.308 820 HB3 LEU 105 2HB LEU 105 2.504 5.827 -4.190 821 HG LEU 105 HG LEU 105 2.162 2.821 -3.862 822 HD11 LEU 105 1HD1 LEU 105 4.677 4.291 -4.624 823 HD12 LEU 105 2HD1 LEU 105 4.398 2.556 -4.585 824 HD13 LEU 105 3HD1 LEU 105 3.588 3.554 -5.823 825 HD21 LEU 105 3HD2 LEU 105 4.021 3.083 -2.195 826 HD22 LEU 105 1HD2 LEU 105 3.793 4.845 -2.300 827 HD23 LEU 105 2HD2 LEU 105 2.489 3.798 -1.692 828 H ARG 106 H ARG 106 -1.031 5.455 -5.333 829 HA ARG 106 HA ARG 106 -1.317 8.308 -5.281 830 HB2 ARG 106 1HB ARG 106 -3.218 6.167 -6.348 831 HB3 ARG 106 2HB ARG 106 -3.339 7.914 -6.662 832 HG2 ARG 106 1HG ARG 106 -1.059 7.903 -7.551 833 HG3 ARG 106 2HG ARG 106 -0.982 6.152 -7.433 834 HD2 ARG 106 1HD ARG 106 -2.381 5.862 -9.241 835 HD3 ARG 106 2HD ARG 106 -3.324 7.322 -8.909 836 HE ARG 106 HE ARG 106 -1.806 8.649 -9.971 837 HH11 ARG 106 2HH2 ARG 106 -0.991 5.203 -10.475 838 HH12 ARG 106 1HH2 ARG 106 0.358 5.555 -11.517 839 HH21 ARG 106 2HH1 ARG 106 -0.029 9.034 -11.512 840 HH22 ARG 106 1HH1 ARG 106 0.902 7.669 -12.050 841 H CYS 107 H CYS 107 -2.776 6.024 -3.085 842 HA CYS 107 HA CYS 107 -5.100 7.673 -2.443 843 HB2 CYS 107 1HB CYS 107 -4.892 5.112 -2.113 844 HB3 CYS 107 2HB CYS 107 -3.746 5.447 -0.823 845 HG CYS 107 HG CYS 107 -6.913 6.271 -1.126 846 H LEU 108 H LEU 108 -1.679 7.192 -1.253 847 HA LEU 108 HA LEU 108 -2.009 8.539 1.216 848 HB2 LEU 108 1HB LEU 108 0.333 8.060 -0.623 849 HB3 LEU 108 2HB LEU 108 0.503 8.719 0.984 850 HG LEU 108 HG LEU 108 1.173 6.433 0.733 851 HD11 LEU 108 1HD1 LEU 108 0.313 7.321 2.960 852 HD12 LEU 108 2HD1 LEU 108 -1.269 6.616 2.560 853 HD13 LEU 108 3HD1 LEU 108 0.149 5.568 2.800 854 HD21 LEU 108 3HD2 LEU 108 -0.357 5.673 -0.859 855 HD22 LEU 108 1HD2 LEU 108 -0.161 4.572 0.500 856 HD23 LEU 108 2HD2 LEU 108 -1.644 5.562 0.349 857 H TRP 109 H TRP 109 -1.251 9.614 -2.089 858 HA TRP 109 HA TRP 109 0.276 11.874 -1.744 859 HB2 TRP 109 1HB TRP 109 -1.793 11.101 -3.810 860 HB3 TRP 109 2HB TRP 109 -0.752 12.441 -4.019 861 HD1 TRP 109 HD TRP 109 1.304 9.863 -2.528 862 HE1 TRP 109 1HE TRP 109 2.659 8.531 -4.192 863 HE3 TRP 109 3HE TRP 109 -1.121 11.296 -6.760 864 HZ2 TRP 109 2HZ TRP 109 2.610 8.017 -7.049 865 HZ3 TRP 109 3HZ TRP 109 -0.430 10.405 -8.967 866 HH2 TRP 109 HH TRP 109 1.334 8.654 -9.106 867 H SER 110 H SER 110 -0.078 13.670 -0.717 868 HA SER 110 HA SER 110 -2.823 14.327 0.088 869 HB2 SER 110 1HB SER 110 -0.101 15.394 0.912 870 HB3 SER 110 2HB SER 110 -1.616 16.177 1.406 871 HG SER 110 HG SER 110 -2.306 14.156 2.230 872 H THR 111 H THR 111 -3.574 16.629 -0.028 873 HA THR 111 HA THR 111 -3.093 17.662 -2.756 874 HB THR 111 HB THR 111 -5.120 19.018 -2.242 875 HG1 THR 111 1HG THR 111 -4.942 19.102 0.011 876 HG21 THR 111 3HG2 THR 111 -5.551 16.039 -1.704 877 HG22 THR 111 1HG2 THR 111 -6.705 17.218 -2.366 878 HG23 THR 111 2HG2 THR 111 -5.270 16.742 -3.299 879 H LYS 112 H LYS 112 -3.025 20.089 -2.858 880 HA LYS 112 HA LYS 112 -1.879 21.860 -2.856 881 HB2 LYS 112 1HB LYS 112 -3.031 22.134 -0.658 882 HB3 LYS 112 2HB LYS 112 -1.568 21.493 0.071 883 HG2 LYS 112 1HG LYS 112 -1.840 24.075 -1.470 884 HG3 LYS 112 2HG LYS 112 -1.757 23.908 0.291 885 HD2 LYS 112 1HD LYS 112 0.549 22.672 -0.322 886 HD3 LYS 112 2HD LYS 112 0.418 23.730 -1.748 887 HE2 LYS 112 1HE LYS 112 0.175 25.666 -0.119 888 HE3 LYS 112 2HE LYS 112 0.517 24.491 1.167 889 HZ1 LYS 112 3HZ LYS 112 2.339 25.591 -0.790 890 HZ2 LYS 112 1HZ LYS 112 2.626 25.043 0.752 891 HZ3 LYS 112 2HZ LYS 112 2.498 23.989 -0.496 892 HA PRO 113 HA PRO 113 2.148 19.860 -3.325 893 HB2 PRO 113 1HB PRO 113 3.472 21.840 -4.676 894 HB3 PRO 113 2HB PRO 113 2.222 20.805 -5.422 895 HG2 PRO 113 1HG PRO 113 1.872 23.581 -4.231 896 HG3 PRO 113 2HG PRO 113 1.322 22.994 -5.832 897 HD2 PRO 113 1HD PRO 113 -0.346 23.026 -3.649 898 HD3 PRO 113 2HD PRO 113 -0.416 21.703 -4.864 899 H VAL 114 H VAL 114 3.833 19.739 -1.984 900 HA VAL 114 HA VAL 114 4.759 22.064 -0.394 901 HB VAL 114 HB VAL 114 4.241 19.237 0.671 902 HG11 VAL 114 1HG1 VAL 114 5.182 21.789 2.078 903 HG12 VAL 114 2HG1 VAL 114 4.806 20.238 2.857 904 HG13 VAL 114 3HG1 VAL 114 6.186 20.351 1.772 905 HG21 VAL 114 3HG2 VAL 114 2.602 20.459 2.127 906 HG22 VAL 114 1HG2 VAL 114 2.883 21.907 1.106 907 HG23 VAL 114 2HG2 VAL 114 2.176 20.427 0.417 908 H ASP 115 H ASP 115 6.006 21.903 -2.513 909 HA ASP 115 HA ASP 115 8.326 20.235 -1.833 910 HB2 ASP 115 1HB ASP 115 7.344 20.878 -4.653 911 HB3 ASP 115 2HB ASP 115 8.801 19.975 -4.269 912 H THR 116 H THR 116 7.153 23.295 -2.160 913 HA THR 116 HA THR 116 9.781 24.565 -2.453 914 HB THR 116 HB THR 116 7.435 25.277 -4.272 915 HG1 THR 116 1HG THR 116 8.615 23.412 -4.853 916 HG21 THR 116 3HG2 THR 116 10.246 26.471 -4.102 917 HG22 THR 116 1HG2 THR 116 9.051 26.822 -5.370 918 HG23 THR 116 2HG2 THR 116 8.728 27.301 -3.699 Start of MODEL 9 1 H1 MET 1 H MET 1 -11.441 -24.686 -1.094 2 HA MET 1 HA MET 1 -9.426 -22.543 -1.068 3 HB2 MET 1 1HB MET 1 -10.578 -23.917 -3.512 4 HB3 MET 1 2HB MET 1 -9.984 -22.251 -3.557 5 HG2 MET 1 1HG MET 1 -7.776 -22.912 -2.841 6 HG3 MET 1 2HG MET 1 -8.299 -24.574 -2.581 7 HE1 MET 1 3HE MET 1 -7.662 -21.757 -5.265 8 HE2 MET 1 1HE MET 1 -7.935 -22.627 -6.792 9 HE3 MET 1 2HE MET 1 -9.302 -22.280 -5.725 10 H TYR 2 H TYR 2 -10.973 -21.715 0.520 11 HA TYR 2 HA TYR 2 -13.241 -20.302 -0.798 12 HB2 TYR 2 1HB TYR 2 -14.112 -22.206 0.475 13 HB3 TYR 2 2HB TYR 2 -13.291 -21.633 1.922 14 HD1 TYR 2 1HD TYR 2 -15.591 -20.220 -0.741 15 HD2 TYR 2 2HD TYR 2 -14.677 -20.536 3.463 16 HE1 TYR 2 1HE TYR 2 -17.593 -18.868 -0.209 17 HE2 TYR 2 2HE TYR 2 -16.737 -19.291 4.004 18 HH TYR 2 HH TYR 2 -18.489 -17.906 3.132 19 H THR 3 H THR 3 -11.763 -20.255 2.533 20 HA THR 3 HA THR 3 -10.490 -18.760 3.556 21 HB THR 3 HB THR 3 -9.969 -17.536 0.808 22 HG1 THR 3 1HG THR 3 -9.017 -19.369 0.544 23 HG21 THR 3 3HG2 THR 3 -7.832 -16.801 1.778 24 HG22 THR 3 1HG2 THR 3 -9.192 -16.011 2.549 25 HG23 THR 3 2HG2 THR 3 -8.377 -17.355 3.387 26 H GLU 4 H GLU 4 -13.315 -18.215 2.304 27 HA GLU 4 HA GLU 4 -15.064 -17.043 2.747 28 HB2 GLU 4 1HB GLU 4 -13.881 -17.759 5.041 29 HB3 GLU 4 2HB GLU 4 -13.893 -16.033 5.322 30 HG2 GLU 4 1HG GLU 4 -16.469 -17.185 4.326 31 HG3 GLU 4 2HG GLU 4 -15.919 -17.869 5.852 32 H GLN 5 H GLN 5 -15.699 -14.682 4.016 33 HA GLN 5 HA GLN 5 -15.544 -12.712 2.111 34 HB2 GLN 5 1HB GLN 5 -15.983 -12.779 5.100 35 HB3 GLN 5 2HB GLN 5 -15.766 -11.231 4.370 36 HG2 GLN 5 1HG GLN 5 -17.800 -13.101 3.158 37 HG3 GLN 5 2HG GLN 5 -18.177 -12.221 4.646 38 HE21 GLN 5 1HE2 GLN 5 -18.969 -11.932 1.562 39 HE22 GLN 5 2HE2 GLN 5 -18.837 -10.218 1.311 40 HA PRO 6 HA PRO 6 -11.634 -10.566 2.932 41 HB2 PRO 6 1HB PRO 6 -12.319 -8.043 2.188 42 HB3 PRO 6 2HB PRO 6 -11.969 -9.325 0.978 43 HG2 PRO 6 1HG PRO 6 -14.657 -8.373 2.022 44 HG3 PRO 6 2HG PRO 6 -14.169 -8.681 0.323 45 HD2 PRO 6 1HD PRO 6 -15.542 -10.513 1.797 46 HD3 PRO 6 2HD PRO 6 -14.309 -11.012 0.604 47 H ILE 7 H ILE 7 -10.734 -9.203 4.359 48 HA ILE 7 HA ILE 7 -12.191 -9.021 6.813 49 HB ILE 7 HB ILE 7 -9.447 -7.817 6.242 50 HG12 ILE 7 1HG1 ILE 7 -8.514 -9.854 7.393 51 HG13 ILE 7 2HG1 ILE 7 -10.053 -10.668 7.098 52 HG21 ILE 7 1HG2 ILE 7 -9.196 -7.915 8.630 53 HG22 ILE 7 2HG2 ILE 7 -10.752 -7.160 8.312 54 HG23 ILE 7 3HG2 ILE 7 -10.697 -8.854 8.823 55 HD11 ILE 7 3HD1 ILE 7 -8.394 -9.433 4.848 56 HD12 ILE 7 1HD1 ILE 7 -8.107 -11.074 5.437 57 HD13 ILE 7 2HD1 ILE 7 -9.662 -10.685 4.735 58 H ASP 8 H ASP 8 -13.910 -7.690 5.939 59 HA ASP 8 HA ASP 8 -15.013 -5.818 5.391 60 HB2 ASP 8 1HB ASP 8 -13.569 -5.355 7.845 61 HB3 ASP 8 2HB ASP 8 -13.568 -3.851 6.988 62 H LEU 9 H LEU 9 -12.591 -6.396 3.741 63 HA LEU 9 HA LEU 9 -11.350 -3.981 3.098 64 HB2 LEU 9 1HB LEU 9 -10.714 -6.510 2.590 65 HB3 LEU 9 2HB LEU 9 -11.610 -6.222 1.089 66 HG LEU 9 HG LEU 9 -10.118 -4.072 0.864 67 HD11 LEU 9 1HD1 LEU 9 -8.604 -5.749 2.917 68 HD12 LEU 9 2HD1 LEU 9 -7.855 -4.511 1.913 69 HD13 LEU 9 3HD1 LEU 9 -9.121 -4.053 3.089 70 HD21 LEU 9 3HD2 LEU 9 -8.347 -5.316 -0.185 71 HD22 LEU 9 1HD2 LEU 9 -8.825 -6.819 0.663 72 HD23 LEU 9 2HD2 LEU 9 -9.894 -6.083 -0.541 73 H VAL 10 H VAL 10 -11.952 -2.320 1.898 74 HA VAL 10 HA VAL 10 -14.346 -2.612 0.194 75 HB VAL 10 HB VAL 10 -14.832 -0.195 0.846 76 HG11 VAL 10 1HG1 VAL 10 -16.296 -2.131 1.277 77 HG12 VAL 10 2HG1 VAL 10 -15.384 -2.506 2.755 78 HG13 VAL 10 3HG1 VAL 10 -16.307 -0.991 2.624 79 HG21 VAL 10 3HG2 VAL 10 -13.371 -1.079 3.363 80 HG22 VAL 10 1HG2 VAL 10 -12.763 0.083 2.195 81 HG23 VAL 10 2HG2 VAL 10 -14.252 0.437 3.099 82 HA PRO 11 HA PRO 11 -11.535 -0.852 -2.753 83 HB2 PRO 11 1HB PRO 11 -13.656 -0.513 -4.733 84 HB3 PRO 11 2HB PRO 11 -12.436 -1.780 -4.620 85 HG2 PRO 11 1HG PRO 11 -15.125 -2.228 -4.223 86 HG3 PRO 11 2HG PRO 11 -13.829 -3.216 -3.522 87 HD2 PRO 11 1HD PRO 11 -15.276 -0.994 -2.094 88 HD3 PRO 11 2HD PRO 11 -14.910 -2.682 -1.625 89 H THR 12 H THR 12 -11.068 1.217 -3.713 90 HA THR 12 HA THR 12 -12.984 3.358 -3.352 91 HB THR 12 HB THR 12 -11.855 2.975 -1.051 92 HG1 THR 12 1HG THR 12 -12.961 4.725 -1.356 93 HG21 THR 12 3HG2 THR 12 -9.539 2.689 -1.715 94 HG22 THR 12 1HG2 THR 12 -9.493 4.328 -2.424 95 HG23 THR 12 2HG2 THR 12 -9.727 4.117 -0.686 96 H GLN 13 H GLN 13 -11.390 5.521 -3.701 97 HA GLN 13 HA GLN 13 -9.820 5.059 -6.158 98 HB2 GLN 13 1HB GLN 13 -10.961 6.762 -7.370 99 HB3 GLN 13 2HB GLN 13 -12.122 5.598 -6.871 100 HG2 GLN 13 1HG GLN 13 -11.669 8.203 -5.329 101 HG3 GLN 13 2HG GLN 13 -12.622 8.128 -6.791 102 HE21 GLN 13 1HE2 GLN 13 -14.246 9.051 -5.375 103 HE22 GLN 13 2HE2 GLN 13 -15.249 8.072 -4.362 104 HA PRO 14 HA PRO 14 -7.385 8.335 -4.249 105 HB2 PRO 14 1HB PRO 14 -5.955 9.331 -6.334 106 HB3 PRO 14 2HB PRO 14 -5.731 7.658 -5.757 107 HG2 PRO 14 1HG PRO 14 -7.314 8.617 -8.142 108 HG3 PRO 14 2HG PRO 14 -6.224 7.206 -8.023 109 HD2 PRO 14 1HD PRO 14 -9.008 7.121 -7.762 110 HD3 PRO 14 2HD PRO 14 -7.918 5.887 -7.111 111 H LEU 15 H LEU 15 -7.082 10.654 -4.215 112 HA LEU 15 HA LEU 15 -9.402 12.246 -4.651 113 HB2 LEU 15 1HB LEU 15 -6.483 12.903 -4.035 114 HB3 LEU 15 2HB LEU 15 -7.673 14.143 -4.232 115 HG LEU 15 HG LEU 15 -8.822 12.225 -2.459 116 HD11 LEU 15 1HD1 LEU 15 -7.208 12.021 -0.697 117 HD12 LEU 15 2HD1 LEU 15 -6.435 11.461 -2.155 118 HD13 LEU 15 3HD1 LEU 15 -6.047 13.078 -1.530 119 HD21 LEU 15 3HD2 LEU 15 -9.358 14.607 -2.547 120 HD22 LEU 15 1HD2 LEU 15 -8.887 14.132 -0.914 121 HD23 LEU 15 2HD2 LEU 15 -7.740 15.012 -1.924 122 HA PRO 16 HA PRO 16 -8.700 14.181 -8.666 123 HB2 PRO 16 1HB PRO 16 -9.410 16.767 -8.100 124 HB3 PRO 16 2HB PRO 16 -10.597 15.451 -8.307 125 HG2 PRO 16 1HG PRO 16 -9.492 16.535 -5.706 126 HG3 PRO 16 2HG PRO 16 -11.205 16.213 -6.139 127 HD2 PRO 16 1HD PRO 16 -9.681 14.509 -4.719 128 HD3 PRO 16 2HD PRO 16 -10.905 13.897 -5.828 129 H ASN 17 H ASN 17 -6.784 14.962 -9.447 130 HA ASN 17 HA ASN 17 -4.702 15.806 -9.614 131 HB2 ASN 17 1HB ASN 17 -4.912 17.554 -7.181 132 HB3 ASN 17 2HB ASN 17 -4.099 17.852 -8.709 133 HD21 ASN 17 1HD2 ASN 17 -7.105 17.966 -6.946 134 HD22 ASN 17 2HD2 ASN 17 -8.070 18.703 -8.220 135 H ALA 18 H ALA 18 -5.527 13.839 -7.202 136 HA ALA 18 HA ALA 18 -3.731 13.835 -5.154 137 HB1 ALA 18 1HB ALA 18 -4.207 11.265 -6.705 138 HB2 ALA 18 2HB ALA 18 -3.749 11.464 -4.998 139 HB3 ALA 18 3HB ALA 18 -5.355 11.956 -5.554 140 H SER 19 H SER 19 -1.494 13.968 -4.923 141 HA SER 19 HA SER 19 0.287 12.997 -6.987 142 HB2 SER 19 1HB SER 19 -0.070 15.888 -6.141 143 HB3 SER 19 2HB SER 19 1.385 15.273 -6.956 144 HG SER 19 HG SER 19 -1.274 15.464 -7.939 145 H PHE 20 H PHE 20 2.195 12.510 -6.030 146 HA PHE 20 HA PHE 20 2.185 11.866 -3.336 147 HB2 PHE 20 1HB PHE 20 3.358 10.644 -5.195 148 HB3 PHE 20 2HB PHE 20 4.367 12.017 -5.475 149 HD1 PHE 20 2HD PHE 20 3.473 10.044 -2.345 150 HD2 PHE 20 1HD PHE 20 6.541 11.649 -4.921 151 HE1 PHE 20 2HE PHE 20 5.231 9.168 -0.826 152 HE2 PHE 20 1HE PHE 20 8.269 10.780 -3.425 153 HZ PHE 20 HZ PHE 20 7.604 9.573 -1.321 154 H ASP 21 H ASP 21 4.149 12.428 -1.911 155 HA ASP 21 HA ASP 21 4.778 15.263 -1.922 156 HB2 ASP 21 1HB ASP 21 3.531 13.834 0.478 157 HB3 ASP 21 2HB ASP 21 3.997 15.525 0.400 158 H ASN 22 H ASN 22 6.503 15.456 0.065 159 HA ASN 22 HA ASN 22 8.384 13.328 -0.445 160 HB2 ASN 22 1HB ASN 22 8.554 16.041 0.438 161 HB3 ASN 22 2HB ASN 22 9.275 15.075 1.703 162 HD21 ASN 22 1HD2 ASN 22 11.579 15.092 1.368 163 HD22 ASN 22 2HD2 ASN 22 12.231 14.777 -0.202 164 H PHE 23 H PHE 23 5.982 12.365 1.032 165 HA PHE 23 HA PHE 23 6.939 11.720 3.735 166 HB2 PHE 23 1HB PHE 23 5.070 10.340 4.023 167 HB3 PHE 23 2HB PHE 23 4.514 11.843 3.330 168 HD1 PHE 23 1HD PHE 23 5.195 8.199 2.522 169 HD2 PHE 23 2HD PHE 23 3.072 11.806 1.450 170 HE1 PHE 23 1HE PHE 23 3.784 6.923 0.998 171 HE2 PHE 23 2HE PHE 23 1.640 10.512 -0.058 172 HZ PHE 23 HZ PHE 23 1.993 8.033 -0.308 173 H LYS 24 H LYS 24 7.616 9.675 4.353 174 HA LYS 24 HA LYS 24 8.623 7.859 2.211 175 HB2 LYS 24 1HB LYS 24 10.382 8.646 3.631 176 HB3 LYS 24 2HB LYS 24 9.483 8.329 5.100 177 HG2 LYS 24 1HG LYS 24 9.663 5.903 4.671 178 HG3 LYS 24 2HG LYS 24 10.440 6.233 3.109 179 HD2 LYS 24 1HD LYS 24 12.200 7.522 4.663 180 HD3 LYS 24 2HD LYS 24 11.517 6.489 5.923 181 HE2 LYS 24 1HE LYS 24 11.964 4.842 3.604 182 HE3 LYS 24 2HE LYS 24 13.405 5.852 3.812 183 HZ1 LYS 24 3HZ LYS 24 12.359 3.757 5.517 184 HZ2 LYS 24 1HZ LYS 24 13.905 4.091 5.115 185 HZ3 LYS 24 2HZ LYS 24 13.137 4.998 6.264 186 H LEU 25 H LEU 25 8.061 5.722 2.499 187 HA LEU 25 HA LEU 25 6.203 5.114 4.758 188 HB2 LEU 25 1HB LEU 25 5.172 3.289 3.372 189 HB3 LEU 25 2HB LEU 25 4.685 4.946 3.065 190 HG LEU 25 HG LEU 25 6.280 4.972 1.085 191 HD11 LEU 25 1HD1 LEU 25 6.993 2.873 0.133 192 HD12 LEU 25 2HD1 LEU 25 7.507 2.789 1.806 193 HD13 LEU 25 3HD1 LEU 25 6.064 1.917 1.319 194 HD21 LEU 25 3HD2 LEU 25 4.013 2.961 0.920 195 HD22 LEU 25 1HD2 LEU 25 3.802 4.715 0.892 196 HD23 LEU 25 2HD2 LEU 25 4.713 3.921 -0.404 197 H THR 26 H THR 26 6.508 3.047 5.677 198 HA THR 26 HA THR 26 9.047 1.686 5.081 199 HB THR 26 HB THR 26 9.737 1.763 7.360 200 HG1 THR 26 1HG THR 26 7.440 3.333 7.852 201 HG21 THR 26 3HG2 THR 26 8.857 4.635 6.754 202 HG22 THR 26 1HG2 THR 26 10.149 4.117 7.840 203 HG23 THR 26 2HG2 THR 26 10.307 3.863 6.092 204 H CYS 27 H CYS 27 8.853 -0.523 6.592 205 HA CYS 27 HA CYS 27 6.100 -1.503 6.858 206 HB2 CYS 27 1HB CYS 27 8.045 -2.254 4.728 207 HB3 CYS 27 2HB CYS 27 6.769 -3.330 5.092 208 HG CYS 27 HG CYS 27 6.482 -2.151 2.719 209 H SER 28 H SER 28 6.190 -3.724 7.763 210 HA SER 28 HA SER 28 8.437 -4.431 9.315 211 HB2 SER 28 1HB SER 28 6.120 -6.039 8.282 212 HB3 SER 28 2HB SER 28 7.211 -6.596 9.550 213 HG SER 28 HG SER 28 6.347 -5.234 10.925 214 H ASN 29 H ASN 29 8.240 -4.751 6.000 215 HA ASN 29 HA ASN 29 10.633 -6.506 5.996 216 HB2 ASN 29 1HB ASN 29 8.777 -7.757 4.930 217 HB3 ASN 29 2HB ASN 29 8.470 -6.393 3.872 218 HD21 ASN 29 1HD2 ASN 29 10.061 -9.318 4.069 219 HD22 ASN 29 2HD2 ASN 29 11.211 -9.123 2.772 220 H THR 30 H THR 30 12.283 -5.159 5.511 221 HA THR 30 HA THR 30 11.919 -2.502 4.719 222 HB THR 30 HB THR 30 14.446 -2.616 4.271 223 HG1 THR 30 1HG THR 30 15.435 -4.509 4.929 224 HG21 THR 30 3HG2 THR 30 14.936 -2.867 6.682 225 HG22 THR 30 1HG2 THR 30 13.437 -1.957 6.440 226 HG23 THR 30 2HG2 THR 30 13.354 -3.641 6.944 227 H LYS 31 H LYS 31 12.961 -5.217 2.549 228 HA LYS 31 HA LYS 31 13.065 -3.671 0.177 229 HB2 LYS 31 1HB LYS 31 13.831 -5.906 -0.068 230 HB3 LYS 31 2HB LYS 31 12.350 -6.576 0.600 231 HG2 LYS 31 1HG LYS 31 12.385 -7.019 -1.780 232 HG3 LYS 31 2HG LYS 31 11.074 -5.934 -1.423 233 HD2 LYS 31 1HD LYS 31 11.942 -4.983 -3.339 234 HD3 LYS 31 2HD LYS 31 12.721 -4.006 -2.118 235 HE2 LYS 31 1HE LYS 31 14.347 -4.521 -3.744 236 HE3 LYS 31 2HE LYS 31 14.765 -5.458 -2.310 237 HZ1 LYS 31 3HZ LYS 31 13.946 -7.405 -3.367 238 HZ2 LYS 31 1HZ LYS 31 13.252 -6.528 -4.618 239 HZ3 LYS 31 2HZ LYS 31 14.883 -6.611 -4.469 240 H PHE 32 H PHE 32 10.184 -5.214 1.708 241 HA PHE 32 HA PHE 32 8.377 -4.687 -0.353 242 HB2 PHE 32 1HB PHE 32 7.986 -5.956 1.770 243 HB3 PHE 32 2HB PHE 32 7.874 -4.401 2.612 244 HD1 PHE 32 2HD PHE 32 6.374 -5.615 -0.616 245 HD2 PHE 32 1HD PHE 32 5.641 -4.315 3.418 246 HE1 PHE 32 2HE PHE 32 3.945 -5.775 -1.010 247 HE2 PHE 32 1HE PHE 32 3.215 -4.401 3.006 248 HZ PHE 32 HZ PHE 32 2.344 -5.143 0.813 249 H ALA 33 H ALA 33 9.245 -2.493 2.369 250 HA ALA 33 HA ALA 33 7.617 -0.280 1.416 251 HB1 ALA 33 1HB ALA 33 8.478 -0.526 3.768 252 HB2 ALA 33 2HB ALA 33 10.123 -0.301 3.176 253 HB3 ALA 33 3HB ALA 33 8.940 1.018 3.015 254 H ASP 34 H ASP 34 10.880 -1.432 0.763 255 HA ASP 34 HA ASP 34 11.845 1.103 -0.251 256 HB2 ASP 34 1HB ASP 34 13.297 -0.815 0.625 257 HB3 ASP 34 2HB ASP 34 13.034 -1.609 -0.928 258 H ASP 35 H ASP 35 10.692 -1.873 -1.856 259 HA ASP 35 HA ASP 35 10.931 -0.963 -4.565 260 HB2 ASP 35 1HB ASP 35 9.864 -3.284 -3.228 261 HB3 ASP 35 2HB ASP 35 8.652 -2.635 -4.324 262 H LEU 36 H LEU 36 8.310 -0.776 -2.166 263 HA LEU 36 HA LEU 36 6.401 0.575 -3.768 264 HB2 LEU 36 1HB LEU 36 6.909 0.132 -0.836 265 HB3 LEU 36 2HB LEU 36 5.888 1.490 -1.228 266 HG LEU 36 HG LEU 36 4.273 0.204 -2.301 267 HD11 LEU 36 1HD1 LEU 36 5.517 -1.484 -3.534 268 HD12 LEU 36 2HD1 LEU 36 6.108 -2.220 -2.037 269 HD13 LEU 36 3HD1 LEU 36 4.403 -2.323 -2.451 270 HD21 LEU 36 3HD2 LEU 36 4.202 0.239 0.168 271 HD22 LEU 36 1HD2 LEU 36 3.497 -1.247 -0.474 272 HD23 LEU 36 2HD2 LEU 36 5.130 -1.277 0.223 273 H ASN 37 H ASN 37 8.998 1.933 -1.655 274 HA ASN 37 HA ASN 37 8.273 4.678 -2.120 275 HB2 ASN 37 1HB ASN 37 10.723 3.203 -1.093 276 HB3 ASN 37 2HB ASN 37 10.841 4.875 -1.458 277 HD21 ASN 37 1HD2 ASN 37 9.941 2.611 0.797 278 HD22 ASN 37 2HD2 ASN 37 9.455 3.711 2.076 279 H GLN 38 H GLN 38 10.272 2.308 -3.929 280 HA GLN 38 HA GLN 38 11.719 4.171 -5.534 281 HB2 GLN 38 1HB GLN 38 11.331 1.260 -5.216 282 HB3 GLN 38 2HB GLN 38 11.486 1.716 -6.879 283 HG2 GLN 38 1HG GLN 38 13.435 2.722 -4.754 284 HG3 GLN 38 2HG GLN 38 13.582 1.134 -5.485 285 HE21 GLN 38 1HE2 GLN 38 15.806 2.661 -5.915 286 HE22 GLN 38 2HE2 GLN 38 15.800 3.171 -7.591 287 H MET 39 H MET 39 8.452 2.916 -5.559 288 HA MET 39 HA MET 39 7.972 3.548 -8.364 289 HB2 MET 39 1HB MET 39 6.167 2.690 -6.118 290 HB3 MET 39 2HB MET 39 5.645 2.792 -7.794 291 HG2 MET 39 1HG MET 39 6.998 0.999 -8.481 292 HG3 MET 39 2HG MET 39 7.998 1.049 -7.073 293 HE1 MET 39 3HE MET 39 4.130 -0.154 -5.280 294 HE2 MET 39 1HE MET 39 5.016 1.327 -5.172 295 HE3 MET 39 2HE MET 39 3.985 1.048 -6.598 296 H THR 40 H THR 40 7.110 4.968 -5.103 297 HA THR 40 HA THR 40 5.581 7.114 -6.319 298 HB THR 40 HB THR 40 5.812 8.183 -4.105 299 HG1 THR 40 1HG THR 40 6.997 7.342 -2.548 300 HG21 THR 40 3HG2 THR 40 4.030 6.498 -4.550 301 HG22 THR 40 1HG2 THR 40 5.100 5.234 -3.902 302 HG23 THR 40 2HG2 THR 40 4.524 6.538 -2.839 303 H GLY 41 H GLY 41 8.946 6.512 -5.519 304 HA2 GLY 41 1HA GLY 41 10.769 7.531 -6.634 305 HA3 GLY 41 2HA GLY 41 9.818 8.987 -6.908 306 H PHE 42 H PHE 42 9.474 7.614 -3.735 307 HA PHE 42 HA PHE 42 9.884 9.863 -2.274 308 HB2 PHE 42 1HB PHE 42 8.998 7.991 -1.124 309 HB3 PHE 42 2HB PHE 42 10.321 6.973 -1.634 310 HD1 PHE 42 1HD PHE 42 10.018 10.246 0.345 311 HD2 PHE 42 2HD PHE 42 11.799 6.309 0.016 312 HE1 PHE 42 1HE PHE 42 11.599 10.810 2.065 313 HE2 PHE 42 2HE PHE 42 13.238 6.813 1.927 314 HZ PHE 42 HZ PHE 42 13.179 9.078 2.970 315 H THR 43 H THR 43 11.465 11.251 -1.720 316 HA THR 43 HA THR 43 14.317 10.392 -1.871 317 HB THR 43 HB THR 43 13.050 13.060 -2.665 318 HG1 THR 43 1HG THR 43 14.003 11.039 -4.416 319 HG21 THR 43 3HG2 THR 43 15.862 11.941 -2.971 320 HG22 THR 43 1HG2 THR 43 15.259 13.350 -3.868 321 HG23 THR 43 2HG2 THR 43 15.320 13.409 -2.112 322 H LYS 44 H LYS 44 15.429 10.849 -0.044 323 HA LYS 44 HA LYS 44 14.070 12.201 2.133 324 HB2 LYS 44 1HB LYS 44 16.678 10.879 1.598 325 HB3 LYS 44 2HB LYS 44 16.717 12.090 2.857 326 HG2 LYS 44 1HG LYS 44 14.511 10.728 3.662 327 HG3 LYS 44 2HG LYS 44 15.392 9.431 2.828 328 HD2 LYS 44 1HD LYS 44 17.389 10.505 4.394 329 HD3 LYS 44 2HD LYS 44 15.972 10.933 5.348 330 HE2 LYS 44 1HE LYS 44 16.367 8.845 6.225 331 HE3 LYS 44 2HE LYS 44 15.311 8.370 4.901 332 HZ1 LYS 44 3HZ LYS 44 17.349 7.933 3.592 333 HZ2 LYS 44 1HZ LYS 44 18.275 8.375 4.888 334 HZ3 LYS 44 2HZ LYS 44 17.335 7.055 4.989 335 HA PRO 45 HA PRO 45 15.320 13.227 3.958 336 HB2 PRO 45 1HB PRO 45 14.399 15.714 4.933 337 HB3 PRO 45 2HB PRO 45 15.970 14.950 5.268 338 HG2 PRO 45 1HG PRO 45 15.612 17.334 3.741 339 HG3 PRO 45 2HG PRO 45 17.082 16.321 3.802 340 HD2 PRO 45 1HD PRO 45 14.949 16.415 1.723 341 HD3 PRO 45 2HD PRO 45 16.676 15.986 1.568 342 H ALA 46 H ALA 46 13.354 12.286 4.618 343 HA ALA 46 HA ALA 46 11.034 12.934 3.075 344 HB1 ALA 46 1HB ALA 46 11.647 10.662 4.261 345 HB2 ALA 46 2HB ALA 46 10.952 11.400 5.712 346 HB3 ALA 46 3HB ALA 46 9.960 11.181 4.245 347 H SER 47 H SER 47 9.061 13.894 3.852 348 HA SER 47 HA SER 47 9.337 15.905 5.982 349 HB2 SER 47 1HB SER 47 7.079 15.085 4.101 350 HB3 SER 47 2HB SER 47 6.899 16.314 5.363 351 HG SER 47 HG SER 47 8.714 17.374 4.503 352 H ARG 48 H ARG 48 7.992 12.607 5.690 353 HA ARG 48 HA ARG 48 7.708 12.362 8.518 354 HB2 ARG 48 1HB ARG 48 5.289 12.009 8.624 355 HB3 ARG 48 2HB ARG 48 5.652 13.636 8.128 356 HG2 ARG 48 1HG ARG 48 4.129 13.338 6.514 357 HG3 ARG 48 2HG ARG 48 5.381 12.480 5.646 358 HD2 ARG 48 1HD ARG 48 3.367 11.144 5.616 359 HD3 ARG 48 2HD ARG 48 4.543 10.326 6.645 360 HE ARG 48 HE ARG 48 3.276 10.756 8.525 361 HH11 ARG 48 2HH2 ARG 48 1.826 12.553 5.776 362 HH12 ARG 48 1HH2 ARG 48 0.297 12.760 6.554 363 HH21 ARG 48 2HH1 ARG 48 1.315 11.239 9.615 364 HH22 ARG 48 1HH1 ARG 48 0.033 12.055 8.803 365 H GLU 49 H GLU 49 6.754 10.066 8.988 366 HA GLU 49 HA GLU 49 7.516 8.185 6.815 367 HB2 GLU 49 1HB GLU 49 8.557 8.298 9.663 368 HB3 GLU 49 2HB GLU 49 8.690 6.870 8.641 369 HG2 GLU 49 1HG GLU 49 10.134 7.887 7.110 370 HG3 GLU 49 2HG GLU 49 9.771 9.523 7.656 371 H LEU 50 H LEU 50 5.841 6.924 6.492 372 HA LEU 50 HA LEU 50 3.994 6.048 8.708 373 HB2 LEU 50 1HB LEU 50 3.867 5.436 5.717 374 HB3 LEU 50 2HB LEU 50 2.582 5.211 6.901 375 HG LEU 50 HG LEU 50 3.666 7.903 5.974 376 HD11 LEU 50 1HD1 LEU 50 1.593 8.109 4.689 377 HD12 LEU 50 2HD1 LEU 50 2.544 6.723 4.146 378 HD13 LEU 50 3HD1 LEU 50 1.104 6.471 5.177 379 HD21 LEU 50 3HD2 LEU 50 2.652 7.977 8.253 380 HD22 LEU 50 1HD2 LEU 50 1.723 8.876 7.051 381 HD23 LEU 50 2HD2 LEU 50 1.148 7.295 7.576 382 H SER 51 H SER 51 3.494 3.748 8.750 383 HA SER 51 HA SER 51 5.604 1.935 7.695 384 HB2 SER 51 1HB SER 51 4.445 2.039 10.471 385 HB3 SER 51 2HB SER 51 5.512 0.760 9.863 386 HG SER 51 HG SER 51 7.098 2.485 9.540 387 H VAL 52 H VAL 52 4.877 -0.138 7.027 388 HA VAL 52 HA VAL 52 1.938 -0.536 7.213 389 HB VAL 52 HB VAL 52 4.132 -1.717 5.556 390 HG11 VAL 52 1HG1 VAL 52 1.122 -2.094 5.293 391 HG12 VAL 52 2HG1 VAL 52 2.341 -2.673 4.139 392 HG13 VAL 52 3HG1 VAL 52 2.303 -3.342 5.766 393 HG21 VAL 52 3HG2 VAL 52 3.678 0.626 4.880 394 HG22 VAL 52 1HG2 VAL 52 3.218 -0.515 3.619 395 HG23 VAL 52 2HG2 VAL 52 1.963 0.197 4.629 396 H THR 53 H THR 53 1.137 -2.307 8.382 397 HA THR 53 HA THR 53 3.089 -4.370 9.273 398 HB THR 53 HB THR 53 1.444 -4.736 11.123 399 HG1 THR 53 1HG THR 53 -0.316 -3.652 10.557 400 HG21 THR 53 3HG2 THR 53 2.834 -2.015 11.052 401 HG22 THR 53 1HG2 THR 53 2.349 -2.920 12.509 402 HG23 THR 53 2HG2 THR 53 3.594 -3.579 11.439 403 H PHE 54 H PHE 54 2.598 -6.497 8.896 404 HA PHE 54 HA PHE 54 0.612 -7.067 6.824 405 HB2 PHE 54 1HB PHE 54 2.527 -8.875 8.351 406 HB3 PHE 54 2HB PHE 54 1.595 -9.335 6.935 407 HD1 PHE 54 2HD PHE 54 1.961 -7.757 4.805 408 HD2 PHE 54 1HD PHE 54 4.795 -8.345 8.004 409 HE1 PHE 54 2HE PHE 54 3.830 -7.077 3.296 410 HE2 PHE 54 1HE PHE 54 6.648 -7.722 6.485 411 HZ PHE 54 HZ PHE 54 6.161 -7.043 4.133 412 H PHE 55 H PHE 55 -1.461 -7.855 7.208 413 HA PHE 55 HA PHE 55 -2.446 -8.003 9.731 414 HB2 PHE 55 1HB PHE 55 -3.506 -8.310 7.179 415 HB3 PHE 55 2HB PHE 55 -3.895 -9.823 7.963 416 HD1 PHE 55 2HD PHE 55 -3.846 -6.196 8.986 417 HD2 PHE 55 1HD PHE 55 -5.997 -9.908 8.940 418 HE1 PHE 55 2HE PHE 55 -5.728 -5.127 10.235 419 HE2 PHE 55 1HE PHE 55 -7.794 -8.896 10.294 420 HZ PHE 55 HZ PHE 55 -7.690 -6.489 10.919 421 HA PRO 56 HA PRO 56 -3.906 -8.799 11.066 422 HB2 PRO 56 1HB PRO 56 -4.505 -10.034 13.398 423 HB3 PRO 56 2HB PRO 56 -5.231 -10.525 11.844 424 HG2 PRO 56 1HG PRO 56 -2.876 -11.799 13.269 425 HG3 PRO 56 2HG PRO 56 -4.289 -12.597 12.525 426 HD2 PRO 56 1HD PRO 56 -1.871 -12.328 11.246 427 HD3 PRO 56 2HD PRO 56 -3.449 -12.330 10.391 428 H ASP 57 H ASP 57 -2.209 -7.259 11.196 429 HA ASP 57 HA ASP 57 -1.506 -6.618 13.882 430 HB2 ASP 57 1HB ASP 57 0.561 -7.796 13.291 431 HB3 ASP 57 2HB ASP 57 0.659 -6.917 11.765 432 H LEU 58 H LEU 58 -2.066 -4.555 13.961 433 HA LEU 58 HA LEU 58 -2.098 -2.807 11.592 434 HB2 LEU 58 1HB LEU 58 -4.448 -2.235 12.135 435 HB3 LEU 58 2HB LEU 58 -4.204 -3.800 11.412 436 HG LEU 58 HG LEU 58 -4.510 -3.521 14.422 437 HD11 LEU 58 1HD1 LEU 58 -6.901 -3.948 14.128 438 HD12 LEU 58 2HD1 LEU 58 -6.440 -2.436 13.341 439 HD13 LEU 58 3HD1 LEU 58 -6.714 -3.897 12.361 440 HD21 LEU 58 3HD2 LEU 58 -5.608 -5.862 14.054 441 HD22 LEU 58 1HD2 LEU 58 -4.835 -5.847 12.461 442 HD23 LEU 58 2HD2 LEU 58 -3.866 -5.789 13.948 443 H ASN 59 H ASN 59 -0.224 -2.771 13.475 444 HA ASN 59 HA ASN 59 -0.811 -0.532 15.336 445 HB2 ASN 59 1HB ASN 59 1.672 -2.214 14.789 446 HB3 ASN 59 2HB ASN 59 1.723 -0.722 15.720 447 HD21 ASN 59 1HD2 ASN 59 -0.016 -3.764 15.513 448 HD22 ASN 59 2HD2 ASN 59 -0.372 -3.966 17.226 449 H GLY 60 H GLY 60 0.702 -1.231 12.233 450 HA2 GLY 60 1HA GLY 60 2.254 1.142 11.911 451 HA3 GLY 60 2HA GLY 60 1.572 0.181 10.583 452 H ASP 61 H ASP 61 1.766 3.034 10.388 453 HA ASP 61 HA ASP 61 -0.894 4.161 10.735 454 HB2 ASP 61 1HB ASP 61 1.588 5.172 9.833 455 HB3 ASP 61 2HB ASP 61 0.589 5.187 8.396 456 H VAL 62 H VAL 62 0.540 1.923 8.492 457 HA VAL 62 HA VAL 62 -1.957 1.855 6.897 458 HB VAL 62 HB VAL 62 0.918 1.627 5.905 459 HG11 VAL 62 1HG1 VAL 62 -0.441 0.160 4.538 460 HG12 VAL 62 2HG1 VAL 62 -1.678 1.406 4.312 461 HG13 VAL 62 3HG1 VAL 62 -0.064 1.597 3.600 462 HG21 VAL 62 3HG2 VAL 62 0.249 3.703 4.511 463 HG22 VAL 62 1HG2 VAL 62 -1.080 3.892 5.662 464 HG23 VAL 62 2HG2 VAL 62 0.582 3.929 6.236 465 H VAL 63 H VAL 63 -2.327 -0.336 6.023 466 HA VAL 63 HA VAL 63 -1.036 -2.486 7.657 467 HB VAL 63 HB VAL 63 -3.952 -2.187 6.877 468 HG11 VAL 63 1HG1 VAL 63 -4.346 -3.967 8.543 469 HG12 VAL 63 2HG1 VAL 63 -3.392 -4.526 7.179 470 HG13 VAL 63 3HG1 VAL 63 -2.585 -4.168 8.726 471 HG21 VAL 63 3HG2 VAL 63 -4.338 -1.798 9.375 472 HG22 VAL 63 1HG2 VAL 63 -2.579 -1.683 9.553 473 HG23 VAL 63 2HG2 VAL 63 -3.491 -0.475 8.608 474 H ALA 64 H ALA 64 -1.177 -4.660 6.494 475 HA ALA 64 HA ALA 64 -1.442 -4.365 3.538 476 HB1 ALA 64 1HB ALA 64 0.393 -5.973 3.278 477 HB2 ALA 64 2HB ALA 64 0.928 -4.509 4.097 478 HB3 ALA 64 3HB ALA 64 0.640 -5.971 5.042 479 H ILE 65 H ILE 65 -2.291 -6.117 2.438 480 HA ILE 65 HA ILE 65 -3.620 -8.197 4.016 481 HB ILE 65 HB ILE 65 -4.799 -6.463 1.862 482 HG12 ILE 65 1HG1 ILE 65 -4.806 -5.510 4.172 483 HG13 ILE 65 2HG1 ILE 65 -6.400 -5.776 3.524 484 HG21 ILE 65 1HG2 ILE 65 -5.566 -8.714 1.400 485 HG22 ILE 65 2HG2 ILE 65 -5.993 -8.982 3.093 486 HG23 ILE 65 3HG2 ILE 65 -6.889 -7.793 2.119 487 HD11 ILE 65 3HD1 ILE 65 -6.741 -7.721 4.949 488 HD12 ILE 65 1HD1 ILE 65 -5.054 -7.669 5.504 489 HD13 ILE 65 2HD1 ILE 65 -6.167 -6.377 5.940 490 H ASP 66 H ASP 66 -3.505 -10.269 2.947 491 HA ASP 66 HA ASP 66 -1.415 -10.655 1.033 492 HB2 ASP 66 1HB ASP 66 -2.161 -12.336 2.697 493 HB3 ASP 66 2HB ASP 66 -3.663 -12.531 1.789 494 H TYR 67 H TYR 67 -1.414 -10.855 -1.050 495 HA TYR 67 HA TYR 67 -2.989 -9.738 -2.995 496 HB2 TYR 67 1HB TYR 67 -0.734 -10.486 -3.305 497 HB3 TYR 67 2HB TYR 67 -1.149 -12.154 -2.929 498 HD1 TYR 67 1HD TYR 67 -1.305 -9.509 -5.476 499 HD2 TYR 67 2HD TYR 67 -2.291 -13.604 -4.602 500 HE1 TYR 67 1HE TYR 67 -1.543 -9.935 -7.879 501 HE2 TYR 67 2HE TYR 67 -2.557 -14.053 -7.041 502 HH TYR 67 HH TYR 67 -2.173 -13.127 -9.284 503 H ARG 68 H ARG 68 -3.662 -12.908 -1.462 504 HA ARG 68 HA ARG 68 -5.241 -14.037 -3.520 505 HB2 ARG 68 1HB ARG 68 -5.556 -14.183 -0.510 506 HB3 ARG 68 2HB ARG 68 -6.245 -15.334 -1.671 507 HG2 ARG 68 1HG ARG 68 -3.548 -15.187 -2.333 508 HG3 ARG 68 2HG ARG 68 -3.555 -15.039 -0.579 509 HD2 ARG 68 1HD ARG 68 -4.405 -17.198 -0.246 510 HD3 ARG 68 2HD ARG 68 -5.160 -17.255 -1.831 511 HE ARG 68 HE ARG 68 -3.021 -17.548 -2.884 512 HH11 ARG 68 2HH2 ARG 68 -2.795 -17.952 0.654 513 HH12 ARG 68 1HH2 ARG 68 -1.676 -19.286 0.525 514 HH21 ARG 68 2HH1 ARG 68 -1.325 -19.181 -2.966 515 HH22 ARG 68 1HH1 ARG 68 -0.805 -19.885 -1.472 516 H HIS 69 H HIS 69 -5.940 -11.591 -1.312 517 HA HIS 69 HA HIS 69 -8.841 -11.438 -2.078 518 HB2 HIS 69 1HB HIS 69 -7.231 -9.939 -0.037 519 HB3 HIS 69 2HB HIS 69 -8.760 -9.271 -0.596 520 HD1 HIS 69 1HD HIS 69 -9.811 -12.641 -0.693 521 HD2 HIS 69 2HD HIS 69 -8.874 -9.856 2.355 522 HE1 HIS 69 1HE HIS 69 -10.793 -13.549 1.476 523 H TYR 70 H TYR 70 -6.237 -10.552 -3.874 524 HA TYR 70 HA TYR 70 -7.089 -7.910 -4.648 525 HB2 TYR 70 1HB TYR 70 -4.782 -8.590 -4.912 526 HB3 TYR 70 2HB TYR 70 -5.257 -9.909 -5.979 527 HD1 TYR 70 1HD TYR 70 -7.006 -6.666 -6.523 528 HD2 TYR 70 2HD TYR 70 -3.660 -9.154 -7.583 529 HE1 TYR 70 1HE TYR 70 -6.525 -5.190 -8.416 530 HE2 TYR 70 2HE TYR 70 -3.173 -7.709 -9.533 531 HH TYR 70 HH TYR 70 -3.776 -5.814 -10.678 532 H SER 71 H SER 71 -9.357 -8.463 -4.846 533 HA SER 71 HA SER 71 -10.139 -9.653 -7.412 534 HB2 SER 71 1HB SER 71 -11.398 -9.034 -4.837 535 HB3 SER 71 2HB SER 71 -12.380 -8.385 -6.152 536 HG SER 71 HG SER 71 -12.745 -10.348 -6.859 537 H ALA 72 H ALA 72 -11.357 -8.567 -8.956 538 HA ALA 72 HA ALA 72 -10.286 -6.105 -9.856 539 HB1 ALA 72 1HB ALA 72 -11.939 -6.366 -11.651 540 HB2 ALA 72 2HB ALA 72 -11.197 -7.927 -11.293 541 HB3 ALA 72 3HB ALA 72 -12.838 -7.567 -10.701 542 H SER 73 H SER 73 -12.780 -6.500 -7.519 543 HA SER 73 HA SER 73 -14.178 -4.032 -7.672 544 HB2 SER 73 1HB SER 73 -13.336 -6.015 -5.635 545 HB3 SER 73 2HB SER 73 -13.340 -4.443 -5.002 546 HG SER 73 HG SER 73 -15.369 -5.989 -5.266 547 H PHE 74 H PHE 74 -10.918 -4.833 -6.392 548 HA PHE 74 HA PHE 74 -10.518 -2.178 -5.327 549 HB2 PHE 74 1HB PHE 74 -8.673 -4.569 -5.427 550 HB3 PHE 74 2HB PHE 74 -8.585 -3.213 -4.327 551 HD1 PHE 74 2HD PHE 74 -11.038 -2.876 -2.934 552 HD2 PHE 74 1HD PHE 74 -9.492 -6.554 -4.524 553 HE1 PHE 74 2HE PHE 74 -12.427 -4.176 -1.303 554 HE2 PHE 74 1HE PHE 74 -11.007 -7.815 -2.994 555 HZ PHE 74 HZ PHE 74 -12.485 -6.624 -1.441 556 H LYS 75 H LYS 75 -10.678 -2.404 -8.372 557 HA LYS 75 HA LYS 75 -8.107 -2.661 -9.459 558 HB2 LYS 75 1HB LYS 75 -9.543 -3.149 -11.110 559 HB3 LYS 75 2HB LYS 75 -10.864 -2.360 -10.294 560 HG2 LYS 75 1HG LYS 75 -10.814 -1.325 -12.329 561 HG3 LYS 75 2HG LYS 75 -10.087 -0.186 -11.235 562 HD2 LYS 75 1HD LYS 75 -7.790 -1.256 -12.127 563 HD3 LYS 75 2HD LYS 75 -8.838 -1.845 -13.427 564 HE2 LYS 75 1HE LYS 75 -9.725 0.553 -13.599 565 HE3 LYS 75 2HE LYS 75 -8.435 1.002 -12.477 566 HZ1 LYS 75 3HZ LYS 75 -8.074 -0.098 -15.206 567 HZ2 LYS 75 1HZ LYS 75 -7.706 1.432 -14.720 568 HZ3 LYS 75 2HZ LYS 75 -6.837 0.149 -14.172 569 H LYS 76 H LYS 76 -9.921 0.198 -8.308 570 HA LYS 76 HA LYS 76 -7.590 1.874 -9.116 571 HB2 LYS 76 1HB LYS 76 -10.466 2.644 -8.769 572 HB3 LYS 76 2HB LYS 76 -9.138 3.802 -8.888 573 HG2 LYS 76 1HG LYS 76 -8.516 2.410 -11.050 574 HG3 LYS 76 2HG LYS 76 -10.189 1.883 -10.969 575 HD2 LYS 76 1HD LYS 76 -10.980 4.157 -11.105 576 HD3 LYS 76 2HD LYS 76 -9.345 4.799 -10.970 577 HE2 LYS 76 1HE LYS 76 -8.815 3.466 -13.126 578 HE3 LYS 76 2HE LYS 76 -10.566 3.265 -13.297 579 HZ1 LYS 76 3HZ LYS 76 -10.757 5.677 -13.362 580 HZ2 LYS 76 1HZ LYS 76 -9.149 5.868 -13.139 581 HZ3 LYS 76 2HZ LYS 76 -9.710 5.178 -14.520 582 H GLY 77 H GLY 77 -8.361 0.191 -6.437 583 HA2 GLY 77 1HA GLY 77 -6.535 0.883 -4.751 584 HA3 GLY 77 2HA GLY 77 -7.557 2.306 -4.537 585 H ALA 78 H ALA 78 -7.187 0.808 -2.271 586 HA ALA 78 HA ALA 78 -9.856 0.106 -1.650 587 HB1 ALA 78 1HB ALA 78 -9.508 -2.182 -0.879 588 HB2 ALA 78 2HB ALA 78 -9.100 -2.068 -2.588 589 HB3 ALA 78 3HB ALA 78 -7.799 -2.134 -1.386 590 H LYS 79 H LYS 79 -10.035 -0.454 0.631 591 HA LYS 79 HA LYS 79 -7.890 0.321 2.477 592 HB2 LYS 79 1HB LYS 79 -9.720 1.864 3.588 593 HB3 LYS 79 2HB LYS 79 -8.669 2.499 2.336 594 HG2 LYS 79 1HG LYS 79 -10.339 2.553 0.706 595 HG3 LYS 79 2HG LYS 79 -11.297 1.336 1.466 596 HD2 LYS 79 1HD LYS 79 -11.473 3.207 3.385 597 HD3 LYS 79 2HD LYS 79 -11.222 4.271 2.000 598 HE2 LYS 79 1HE LYS 79 -13.245 3.546 0.960 599 HE3 LYS 79 2HE LYS 79 -13.281 2.040 1.887 600 HZ1 LYS 79 3HZ LYS 79 -13.837 4.731 3.002 601 HZ2 LYS 79 1HZ LYS 79 -14.897 3.457 2.822 602 HZ3 LYS 79 2HZ LYS 79 -13.672 3.383 3.885 603 H LEU 80 H LEU 80 -8.922 0.085 4.802 604 HA LEU 80 HA LEU 80 -10.754 -2.246 4.887 605 HB2 LEU 80 1HB LEU 80 -8.142 -2.372 5.571 606 HB3 LEU 80 2HB LEU 80 -8.763 -1.718 7.097 607 HG LEU 80 HG LEU 80 -9.861 -4.187 5.716 608 HD11 LEU 80 1HD1 LEU 80 -8.383 -5.565 7.094 609 HD12 LEU 80 2HD1 LEU 80 -7.433 -4.458 6.097 610 HD13 LEU 80 3HD1 LEU 80 -7.665 -4.115 7.825 611 HD21 LEU 80 3HD2 LEU 80 -11.380 -3.580 7.456 612 HD22 LEU 80 1HD2 LEU 80 -10.455 -4.922 8.056 613 HD23 LEU 80 2HD2 LEU 80 -10.044 -3.292 8.629 614 H LEU 81 H LEU 81 -11.089 -1.877 7.738 615 HA LEU 81 HA LEU 81 -13.439 -0.682 7.864 616 HB2 LEU 81 1HB LEU 81 -12.091 -1.908 9.673 617 HB3 LEU 81 2HB LEU 81 -11.556 -0.368 10.217 618 HG LEU 81 HG LEU 81 -14.469 -0.319 9.810 619 HD11 LEU 81 1HD1 LEU 81 -15.062 -1.806 11.646 620 HD12 LEU 81 2HD1 LEU 81 -14.295 -2.692 10.326 621 HD13 LEU 81 3HD1 LEU 81 -13.369 -2.331 11.807 622 HD21 LEU 81 3HD2 LEU 81 -13.267 1.383 11.114 623 HD22 LEU 81 1HD2 LEU 81 -14.464 0.546 12.106 624 HD23 LEU 81 2HD2 LEU 81 -12.748 0.135 12.279 625 H HIS 82 H HIS 82 -10.589 1.003 8.926 626 HA HIS 82 HA HIS 82 -11.565 3.477 7.591 627 HB2 HIS 82 1HB HIS 82 -11.268 4.933 9.438 628 HB3 HIS 82 2HB HIS 82 -12.359 3.646 9.928 629 HD1 HIS 82 1HD HIS 82 -9.537 5.469 11.251 630 HD2 HIS 82 2HD HIS 82 -10.851 1.469 11.232 631 HE1 HIS 82 1HE HIS 82 -8.246 4.304 13.114 632 H LYS 83 H LYS 83 -9.066 1.323 8.011 633 HA LYS 83 HA LYS 83 -6.965 3.397 7.643 634 HB2 LYS 83 1HB LYS 83 -6.880 0.562 8.702 635 HB3 LYS 83 2HB LYS 83 -5.469 1.526 8.348 636 HG2 LYS 83 1HG LYS 83 -6.570 3.306 9.924 637 HG3 LYS 83 2HG LYS 83 -7.635 2.019 10.437 638 HD2 LYS 83 1HD LYS 83 -4.645 1.545 10.398 639 HD3 LYS 83 2HD LYS 83 -5.322 2.478 11.694 640 HE2 LYS 83 1HE LYS 83 -7.088 0.526 11.912 641 HE3 LYS 83 2HE LYS 83 -5.908 -0.415 10.989 642 HZ1 LYS 83 3HZ LYS 83 -5.586 -0.606 13.413 643 HZ2 LYS 83 1HZ LYS 83 -4.271 0.078 12.688 644 HZ3 LYS 83 2HZ LYS 83 -5.325 1.006 13.529 645 HA PRO 84 HA PRO 84 -6.366 1.918 3.586 646 HB2 PRO 84 1HB PRO 84 -3.802 2.660 3.025 647 HB3 PRO 84 2HB PRO 84 -5.114 3.837 3.351 648 HG2 PRO 84 1HG PRO 84 -2.988 2.852 5.236 649 HG3 PRO 84 2HG PRO 84 -3.540 4.530 4.985 650 HD2 PRO 84 1HD PRO 84 -4.385 2.838 7.002 651 HD3 PRO 84 2HD PRO 84 -5.357 4.185 6.399 652 H ILE 85 H ILE 85 -5.100 0.341 2.209 653 HA ILE 85 HA ILE 85 -3.734 -1.735 3.791 654 HB ILE 85 HB ILE 85 -4.989 -3.543 2.911 655 HG12 ILE 85 1HG1 ILE 85 -7.123 -2.489 1.365 656 HG13 ILE 85 2HG1 ILE 85 -5.810 -1.503 0.818 657 HG21 ILE 85 1HG2 ILE 85 -6.955 -1.433 3.704 658 HG22 ILE 85 2HG2 ILE 85 -7.128 -3.199 3.746 659 HG23 ILE 85 3HG2 ILE 85 -5.922 -2.428 4.766 660 HD11 ILE 85 3HD1 ILE 85 -4.504 -3.530 0.188 661 HD12 ILE 85 1HD1 ILE 85 -5.810 -4.561 0.809 662 HD13 ILE 85 2HD1 ILE 85 -6.093 -3.513 -0.592 663 H VAL 86 H VAL 86 -2.380 -3.149 2.372 664 HA VAL 86 HA VAL 86 -1.974 -2.237 -0.388 665 HB VAL 86 HB VAL 86 0.470 -2.302 -0.105 666 HG11 VAL 86 1HG1 VAL 86 -0.763 -0.255 1.770 667 HG12 VAL 86 2HG1 VAL 86 0.783 -0.165 0.902 668 HG13 VAL 86 3HG1 VAL 86 -0.729 -0.164 -0.017 669 HG21 VAL 86 3HG2 VAL 86 0.054 -2.391 2.877 670 HG22 VAL 86 1HG2 VAL 86 0.684 -3.721 1.880 671 HG23 VAL 86 2HG2 VAL 86 1.589 -2.202 2.007 672 H TRP 87 H TRP 87 -1.139 -3.955 -1.722 673 HA TRP 87 HA TRP 87 -1.928 -6.595 -0.741 674 HB2 TRP 87 1HB TRP 87 -0.718 -5.733 -3.397 675 HB3 TRP 87 2HB TRP 87 -1.415 -7.315 -3.025 676 HD1 TRP 87 HD TRP 87 -2.344 -4.070 -4.445 677 HE1 TRP 87 1HE TRP 87 -4.897 -3.804 -4.665 678 HE3 TRP 87 3HE TRP 87 -3.796 -7.895 -1.368 679 HZ2 TRP 87 2HZ TRP 87 -7.246 -4.982 -3.467 680 HZ3 TRP 87 3HZ TRP 87 -6.160 -8.198 -0.818 681 HH2 TRP 87 HH TRP 87 -7.901 -6.754 -1.826 682 H HIS 88 H HIS 88 -0.523 -8.185 0.018 683 HA HIS 88 HA HIS 88 2.379 -7.837 -0.623 684 HB2 HIS 88 1HB HIS 88 3.063 -8.558 1.464 685 HB3 HIS 88 2HB HIS 88 1.855 -7.324 1.770 686 HD1 HIS 88 1HD HIS 88 2.535 -11.063 2.405 687 HD2 HIS 88 2HD HIS 88 -0.394 -8.102 3.072 688 HE1 HIS 88 1HE HIS 88 1.077 -11.966 4.105 689 H ILE 89 H ILE 89 3.594 -9.673 -0.937 690 HA ILE 89 HA ILE 89 2.271 -12.316 -1.165 691 HB ILE 89 HB ILE 89 3.986 -10.823 -3.212 692 HG12 ILE 89 1HG1 ILE 89 1.418 -12.456 -3.452 693 HG13 ILE 89 2HG1 ILE 89 1.523 -10.699 -3.405 694 HG21 ILE 89 1HG2 ILE 89 3.564 -13.837 -3.205 695 HG22 ILE 89 2HG2 ILE 89 4.472 -12.889 -4.396 696 HG23 ILE 89 3HG2 ILE 89 5.080 -13.049 -2.762 697 HD11 ILE 89 3HD1 ILE 89 1.212 -11.408 -5.694 698 HD12 ILE 89 1HD1 ILE 89 2.830 -10.707 -5.500 699 HD13 ILE 89 2HD1 ILE 89 2.618 -12.470 -5.619 700 H ASN 90 H ASN 90 3.378 -13.435 0.431 701 HA ASN 90 HA ASN 90 5.007 -13.980 1.902 702 HB2 ASN 90 1HB ASN 90 6.890 -14.973 0.887 703 HB3 ASN 90 2HB ASN 90 5.466 -15.287 -0.050 704 HD21 ASN 90 1HD2 ASN 90 8.040 -12.765 -0.012 705 HD22 ASN 90 2HD2 ASN 90 8.532 -12.989 -1.690 706 H GLN 91 H GLN 91 4.593 -11.518 2.457 707 HA GLN 91 HA GLN 91 5.307 -9.495 3.171 708 HB2 GLN 91 1HB GLN 91 7.847 -11.029 3.826 709 HB3 GLN 91 2HB GLN 91 7.348 -9.505 4.545 710 HG2 GLN 91 1HG GLN 91 5.318 -10.544 5.470 711 HG3 GLN 91 2HG GLN 91 5.776 -12.096 4.750 712 HE21 GLN 91 1HE2 GLN 91 8.123 -12.820 5.355 713 HE22 GLN 91 2HE2 GLN 91 8.450 -12.717 7.085 714 H ALA 92 H ALA 92 6.027 -10.071 0.207 715 HA ALA 92 HA ALA 92 7.958 -7.878 -0.176 716 HB1 ALA 92 1HB ALA 92 8.866 -9.095 -2.087 717 HB2 ALA 92 2HB ALA 92 8.946 -10.184 -0.693 718 HB3 ALA 92 3HB ALA 92 7.666 -10.379 -1.916 719 H THR 93 H THR 93 7.707 -7.330 -2.662 720 HA THR 93 HA THR 93 4.908 -7.499 -3.544 721 HB THR 93 HB THR 93 5.334 -5.231 -2.688 722 HG1 THR 93 1HG THR 93 4.659 -4.142 -4.504 723 HG21 THR 93 3HG2 THR 93 7.760 -4.954 -3.060 724 HG22 THR 93 1HG2 THR 93 7.493 -4.942 -4.816 725 HG23 THR 93 2HG2 THR 93 6.829 -3.656 -3.802 726 H THR 94 H THR 94 4.763 -7.824 -5.842 727 HA THR 94 HA THR 94 7.265 -8.475 -7.273 728 HB THR 94 HB THR 94 6.045 -10.268 -8.396 729 HG1 THR 94 1HG THR 94 3.968 -10.841 -7.404 730 HG21 THR 94 3HG2 THR 94 5.810 -10.563 -5.350 731 HG22 THR 94 1HG2 THR 94 5.666 -11.880 -6.539 732 HG23 THR 94 2HG2 THR 94 7.177 -10.993 -6.391 733 H LYS 95 H LYS 95 6.739 -8.273 -9.762 734 HA LYS 95 HA LYS 95 5.526 -5.830 -10.350 735 HB2 LYS 95 1HB LYS 95 6.466 -8.100 -11.965 736 HB3 LYS 95 2HB LYS 95 5.166 -7.172 -12.712 737 HG2 LYS 95 1HG LYS 95 7.250 -6.221 -13.360 738 HG3 LYS 95 2HG LYS 95 6.395 -5.065 -12.356 739 HD2 LYS 95 1HD LYS 95 7.851 -5.668 -10.427 740 HD3 LYS 95 2HD LYS 95 8.714 -6.833 -11.443 741 HE2 LYS 95 1HE LYS 95 8.519 -3.872 -12.083 742 HE3 LYS 95 2HE LYS 95 9.819 -4.551 -11.097 743 HZ1 LYS 95 3HZ LYS 95 10.597 -5.803 -12.903 744 HZ2 LYS 95 1HZ LYS 95 9.266 -5.542 -13.821 745 HZ3 LYS 95 2HZ LYS 95 10.295 -4.310 -13.531 746 H THR 96 H THR 96 3.912 -8.948 -9.845 747 HA THR 96 HA THR 96 1.432 -8.148 -11.007 748 HB THR 96 HB THR 96 1.836 -10.280 -8.872 749 HG1 THR 96 1HG THR 96 2.233 -11.612 -10.802 750 HG21 THR 96 3HG2 THR 96 0.027 -11.376 -10.023 751 HG22 THR 96 1HG2 THR 96 -0.493 -9.707 -9.788 752 HG23 THR 96 2HG2 THR 96 0.103 -10.235 -11.379 753 H THR 97 H THR 97 2.800 -7.679 -7.677 754 HA THR 97 HA THR 97 0.188 -6.541 -6.843 755 HB THR 97 HB THR 97 1.531 -6.069 -4.696 756 HG1 THR 97 1HG THR 97 3.602 -6.335 -5.194 757 HG21 THR 97 3HG2 THR 97 1.153 -8.949 -5.586 758 HG22 THR 97 1HG2 THR 97 1.387 -8.392 -3.908 759 HG23 THR 97 2HG2 THR 97 -0.051 -7.887 -4.811 760 H PHE 98 H PHE 98 2.988 -5.512 -8.504 761 HA PHE 98 HA PHE 98 3.309 -2.867 -7.448 762 HB2 PHE 98 1HB PHE 98 5.175 -3.336 -8.526 763 HB3 PHE 98 2HB PHE 98 4.377 -4.425 -9.630 764 HD1 PHE 98 1HD PHE 98 4.665 -0.750 -8.980 765 HD2 PHE 98 2HD PHE 98 4.075 -3.886 -11.869 766 HE1 PHE 98 1HE PHE 98 4.610 0.930 -10.777 767 HE2 PHE 98 2HE PHE 98 4.017 -2.174 -13.692 768 HZ PHE 98 HZ PHE 98 4.284 0.233 -13.137 769 H LYS 99 H LYS 99 1.587 -4.192 -10.305 770 HA LYS 99 HA LYS 99 0.627 -1.674 -11.203 771 HB2 LYS 99 1HB LYS 99 -0.187 -4.514 -11.705 772 HB3 LYS 99 2HB LYS 99 -1.203 -3.195 -12.315 773 HG2 LYS 99 1HG LYS 99 1.338 -2.321 -13.063 774 HG3 LYS 99 2HG LYS 99 1.470 -4.044 -13.300 775 HD2 LYS 99 1HD LYS 99 -0.697 -2.223 -14.459 776 HD3 LYS 99 2HD LYS 99 0.765 -2.688 -15.313 777 HE2 LYS 99 1HE LYS 99 -1.319 -4.679 -14.335 778 HE3 LYS 99 2HE LYS 99 -1.314 -3.965 -15.952 779 HZ1 LYS 99 3HZ LYS 99 0.890 -5.614 -14.858 780 HZ2 LYS 99 1HZ LYS 99 -0.244 -6.144 -15.878 781 HZ3 LYS 99 2HZ LYS 99 0.806 -5.007 -16.393 782 HA PRO 100 HA PRO 100 -3.264 -1.943 -8.551 783 HB2 PRO 100 1HB PRO 100 -3.314 -3.517 -6.353 784 HB3 PRO 100 2HB PRO 100 -3.927 -4.060 -7.930 785 HG2 PRO 100 1HG PRO 100 -1.299 -4.688 -6.658 786 HG3 PRO 100 2HG PRO 100 -2.386 -5.796 -7.508 787 HD2 PRO 100 1HD PRO 100 -0.214 -4.705 -8.764 788 HD3 PRO 100 2HD PRO 100 -1.737 -4.994 -9.632 789 H ASN 101 H ASN 101 -0.083 -2.552 -7.083 790 HA ASN 101 HA ASN 101 -0.263 -1.107 -4.658 791 HB2 ASN 101 1HB ASN 101 1.841 -2.027 -6.440 792 HB3 ASN 101 2HB ASN 101 2.225 -0.431 -6.027 793 HD21 ASN 101 1HD2 ASN 101 1.832 -3.670 -4.875 794 HD22 ASN 101 2HD2 ASN 101 2.474 -3.362 -3.251 795 H THR 102 H THR 102 0.512 0.385 -7.933 796 HA THR 102 HA THR 102 1.236 2.715 -6.491 797 HB THR 102 HB THR 102 2.040 3.604 -8.262 798 HG1 THR 102 1HG THR 102 0.788 4.424 -9.637 799 HG21 THR 102 3HG2 THR 102 2.671 1.244 -8.669 800 HG22 THR 102 1HG2 THR 102 1.236 1.031 -9.698 801 HG23 THR 102 2HG2 THR 102 2.519 2.159 -10.171 802 H TRP 103 H TRP 103 -1.911 1.585 -7.493 803 HA TRP 103 HA TRP 103 -3.444 3.950 -6.940 804 HB2 TRP 103 1HB TRP 103 -4.189 1.013 -6.626 805 HB3 TRP 103 2HB TRP 103 -5.271 2.326 -6.659 806 HD1 TRP 103 HD TRP 103 -3.384 0.115 -8.993 807 HE1 TRP 103 1HE TRP 103 -4.226 0.497 -11.377 808 HE3 TRP 103 3HE TRP 103 -5.798 4.521 -8.214 809 HZ2 TRP 103 2HZ TRP 103 -5.947 2.437 -12.727 810 HZ3 TRP 103 3HZ TRP 103 -7.020 5.636 -10.041 811 HH2 TRP 103 HH TRP 103 -7.179 4.565 -12.257 812 H CYS 104 H CYS 104 -1.389 2.201 -4.667 813 HA CYS 104 HA CYS 104 -3.467 2.255 -2.551 814 HB2 CYS 104 1HB CYS 104 -0.922 0.615 -2.940 815 HB3 CYS 104 2HB CYS 104 -1.949 0.534 -1.541 816 HG CYS 104 HG CYS 104 -2.255 -1.570 -3.019 817 H LEU 105 H LEU 105 -0.339 3.354 -3.901 818 HA LEU 105 HA LEU 105 0.359 5.124 -1.736 819 HB2 LEU 105 1HB LEU 105 1.117 4.737 -4.700 820 HB3 LEU 105 2HB LEU 105 1.906 5.837 -3.584 821 HG LEU 105 HG LEU 105 3.203 4.329 -3.107 822 HD11 LEU 105 1HD1 LEU 105 2.150 3.917 -1.066 823 HD12 LEU 105 2HD1 LEU 105 1.269 2.547 -1.771 824 HD13 LEU 105 3HD1 LEU 105 3.033 2.487 -1.613 825 HD21 LEU 105 3HD2 LEU 105 2.200 1.892 -4.275 826 HD22 LEU 105 1HD2 LEU 105 2.949 3.244 -5.210 827 HD23 LEU 105 2HD2 LEU 105 3.828 2.448 -3.910 828 H ARG 106 H ARG 106 -1.195 5.372 -5.011 829 HA ARG 106 HA ARG 106 -1.438 8.157 -4.963 830 HB2 ARG 106 1HB ARG 106 -2.999 5.981 -6.409 831 HB3 ARG 106 2HB ARG 106 -3.375 7.688 -6.645 832 HG2 ARG 106 1HG ARG 106 -1.179 8.192 -7.328 833 HG3 ARG 106 2HG ARG 106 -0.565 6.575 -7.032 834 HD2 ARG 106 1HD ARG 106 -1.693 5.719 -8.934 835 HD3 ARG 106 2HD ARG 106 -2.843 7.065 -8.969 836 HE ARG 106 HE ARG 106 0.022 7.168 -9.787 837 HH11 ARG 106 2HH2 ARG 106 -3.224 8.674 -9.950 838 HH12 ARG 106 1HH2 ARG 106 -2.899 9.552 -11.392 839 HH21 ARG 106 2HH1 ARG 106 0.561 8.718 -11.462 840 HH22 ARG 106 1HH1 ARG 106 -0.698 9.659 -12.186 841 H CYS 107 H CYS 107 -3.251 5.965 -3.067 842 HA CYS 107 HA CYS 107 -5.442 7.879 -2.591 843 HB2 CYS 107 1HB CYS 107 -5.613 5.317 -2.787 844 HB3 CYS 107 2HB CYS 107 -4.861 5.248 -1.183 845 HG CYS 107 HG CYS 107 -6.599 6.960 -0.126 846 H LEU 108 H LEU 108 -2.263 7.256 -1.369 847 HA LEU 108 HA LEU 108 -2.725 8.421 1.323 848 HB2 LEU 108 1HB LEU 108 -0.250 7.238 -0.049 849 HB3 LEU 108 2HB LEU 108 -0.288 7.810 1.603 850 HG LEU 108 HG LEU 108 -1.991 5.504 0.591 851 HD11 LEU 108 1HD1 LEU 108 0.408 4.947 0.438 852 HD12 LEU 108 2HD1 LEU 108 0.637 5.436 2.134 853 HD13 LEU 108 3HD1 LEU 108 -0.392 4.032 1.742 854 HD21 LEU 108 3HD2 LEU 108 -2.314 4.924 2.924 855 HD22 LEU 108 1HD2 LEU 108 -1.294 6.284 3.442 856 HD23 LEU 108 2HD2 LEU 108 -2.857 6.599 2.657 857 H TRP 109 H TRP 109 -1.825 9.327 -1.881 858 HA TRP 109 HA TRP 109 -0.056 11.553 -1.509 859 HB2 TRP 109 1HB TRP 109 -2.018 10.596 -3.620 860 HB3 TRP 109 2HB TRP 109 -1.034 11.988 -3.819 861 HD1 TRP 109 HD TRP 109 0.980 9.367 -2.112 862 HE1 TRP 109 1HE TRP 109 2.544 8.194 -3.756 863 HE3 TRP 109 3HE TRP 109 -0.992 11.036 -6.465 864 HZ2 TRP 109 2HZ TRP 109 2.751 7.814 -6.627 865 HZ3 TRP 109 3HZ TRP 109 -0.013 10.407 -8.654 866 HH2 TRP 109 HH TRP 109 1.810 8.727 -8.738 867 H SER 110 H SER 110 -0.687 13.806 -1.641 868 HA SER 110 HA SER 110 -3.356 14.381 -0.432 869 HB2 SER 110 1HB SER 110 -0.599 15.458 0.264 870 HB3 SER 110 2HB SER 110 -2.119 16.071 0.896 871 HG SER 110 HG SER 110 -0.853 13.632 1.400 872 H THR 111 H THR 111 -3.303 14.566 -3.079 873 HA THR 111 HA THR 111 -3.579 15.878 -4.911 874 HB THR 111 HB THR 111 -4.918 17.782 -4.668 875 HG1 THR 111 1HG THR 111 -3.825 17.902 -2.106 876 HG21 THR 111 3HG2 THR 111 -5.863 15.525 -4.101 877 HG22 THR 111 1HG2 THR 111 -5.689 15.945 -2.384 878 HG23 THR 111 2HG2 THR 111 -6.756 16.905 -3.432 879 H LYS 112 H LYS 112 -3.154 18.733 -5.376 880 HA LYS 112 HA LYS 112 -0.332 19.066 -4.743 881 HB2 LYS 112 1HB LYS 112 -1.091 17.888 -7.221 882 HB3 LYS 112 2HB LYS 112 -0.587 19.531 -7.562 883 HG2 LYS 112 1HG LYS 112 1.118 17.749 -5.824 884 HG3 LYS 112 2HG LYS 112 1.204 17.687 -7.593 885 HD2 LYS 112 1HD LYS 112 1.773 20.039 -7.717 886 HD3 LYS 112 2HD LYS 112 1.604 20.195 -5.963 887 HE2 LYS 112 1HE LYS 112 3.479 18.648 -5.590 888 HE3 LYS 112 2HE LYS 112 3.539 18.265 -7.312 889 HZ1 LYS 112 3HZ LYS 112 5.260 19.771 -6.725 890 HZ2 LYS 112 1HZ LYS 112 4.229 20.507 -7.767 891 HZ3 LYS 112 2HZ LYS 112 4.224 20.907 -6.160 892 HA PRO 113 HA PRO 113 -2.373 23.152 -4.884 893 HB2 PRO 113 1HB PRO 113 -0.736 24.390 -3.086 894 HB3 PRO 113 2HB PRO 113 -2.065 23.301 -2.594 895 HG2 PRO 113 1HG PRO 113 0.891 22.714 -2.804 896 HG3 PRO 113 2HG PRO 113 -0.242 22.235 -1.506 897 HD2 PRO 113 1HD PRO 113 0.510 20.605 -3.655 898 HD3 PRO 113 2HD PRO 113 -1.020 20.408 -2.742 899 H VAL 114 H VAL 114 -1.355 25.293 -5.440 900 HA VAL 114 HA VAL 114 -0.591 26.419 -7.157 901 HB VAL 114 HB VAL 114 1.145 26.737 -5.496 902 HG11 VAL 114 1HG1 VAL 114 2.278 24.679 -5.226 903 HG12 VAL 114 2HG1 VAL 114 2.697 24.579 -6.953 904 HG13 VAL 114 3HG1 VAL 114 3.447 25.797 -5.914 905 HG21 VAL 114 3HG2 VAL 114 2.297 26.893 -8.282 906 HG22 VAL 114 1HG2 VAL 114 1.087 28.018 -7.617 907 HG23 VAL 114 2HG2 VAL 114 2.690 27.900 -6.876 908 H ASP 115 H ASP 115 -1.743 24.078 -7.865 909 HA ASP 115 HA ASP 115 -0.448 23.422 -10.456 910 HB2 ASP 115 1HB ASP 115 0.249 21.857 -8.444 911 HB3 ASP 115 2HB ASP 115 -1.363 21.181 -8.678 912 H THR 116 H THR 116 -2.596 25.036 -10.098 913 HA THR 116 HA THR 116 -4.809 23.688 -11.378 914 HB THR 116 HB THR 116 -4.828 24.700 -8.523 915 HG1 THR 116 1HG THR 116 -4.664 22.465 -9.500 916 HG21 THR 116 3HG2 THR 116 -6.662 25.950 -9.466 917 HG22 THR 116 1HG2 THR 116 -7.318 24.497 -10.252 918 HG23 THR 116 2HG2 THR 116 -7.295 24.627 -8.477 Start of MODEL 10 1 H1 MET 1 H MET 1 -10.995 -20.725 1.471 2 HA MET 1 HA MET 1 -12.533 -18.741 -0.059 3 HB2 MET 1 1HB MET 1 -11.009 -20.890 -1.261 4 HB3 MET 1 2HB MET 1 -12.732 -21.197 -1.494 5 HG2 MET 1 1HG MET 1 -13.073 -19.000 -2.414 6 HG3 MET 1 2HG MET 1 -11.411 -18.538 -2.095 7 HE1 MET 1 3HE MET 1 -13.179 -18.481 -4.927 8 HE2 MET 1 1HE MET 1 -11.610 -17.694 -4.658 9 HE3 MET 1 2HE MET 1 -11.836 -18.782 -6.045 10 H TYR 2 H TYR 2 -14.573 -18.780 0.795 11 HA TYR 2 HA TYR 2 -15.893 -21.037 1.676 12 HB2 TYR 2 1HB TYR 2 -15.852 -20.785 4.094 13 HB3 TYR 2 2HB TYR 2 -14.427 -21.425 3.354 14 HD1 TYR 2 2HD TYR 2 -14.878 -18.003 2.841 15 HD2 TYR 2 1HD TYR 2 -13.405 -20.856 5.564 16 HE1 TYR 2 2HE TYR 2 -13.553 -16.131 4.026 17 HE2 TYR 2 1HE TYR 2 -11.997 -19.152 6.708 18 HH TYR 2 HH TYR 2 -11.874 -16.908 7.035 19 H THR 3 H THR 3 -17.495 -19.799 3.781 20 HA THR 3 HA THR 3 -18.942 -17.902 2.049 21 HB THR 3 HB THR 3 -20.025 -19.423 4.456 22 HG1 THR 3 1HG THR 3 -21.021 -20.646 2.554 23 HG21 THR 3 3HG2 THR 3 -21.464 -18.266 2.019 24 HG22 THR 3 1HG2 THR 3 -22.208 -19.102 3.414 25 HG23 THR 3 2HG2 THR 3 -21.464 -17.541 3.632 26 H GLU 4 H GLU 4 -16.696 -17.826 4.255 27 HA GLU 4 HA GLU 4 -17.720 -15.802 6.035 28 HB2 GLU 4 1HB GLU 4 -15.360 -17.355 5.929 29 HB3 GLU 4 2HB GLU 4 -14.860 -15.651 5.902 30 HG2 GLU 4 1HG GLU 4 -15.114 -15.571 8.092 31 HG3 GLU 4 2HG GLU 4 -16.833 -15.893 7.948 32 H GLN 5 H GLN 5 -17.132 -13.590 6.087 33 HA GLN 5 HA GLN 5 -17.370 -12.319 3.514 34 HB2 GLN 5 1HB GLN 5 -17.239 -11.528 6.438 35 HB3 GLN 5 2HB GLN 5 -17.002 -10.275 5.238 36 HG2 GLN 5 1HG GLN 5 -19.400 -12.119 4.975 37 HG3 GLN 5 2HG GLN 5 -19.418 -10.786 6.125 38 HE21 GLN 5 1HE2 GLN 5 -19.336 -11.532 2.595 39 HE22 GLN 5 2HE2 GLN 5 -19.789 -9.887 2.189 40 HA PRO 6 HA PRO 6 -12.999 -11.127 3.202 41 HB2 PRO 6 1HB PRO 6 -13.083 -8.898 1.673 42 HB3 PRO 6 2HB PRO 6 -13.522 -10.498 0.985 43 HG2 PRO 6 1HG PRO 6 -15.359 -8.340 2.040 44 HG3 PRO 6 2HG PRO 6 -15.503 -9.257 0.504 45 HD2 PRO 6 1HD PRO 6 -16.840 -9.902 2.849 46 HD3 PRO 6 2HD PRO 6 -16.406 -11.121 1.617 47 H ILE 7 H ILE 7 -11.653 -9.468 3.957 48 HA ILE 7 HA ILE 7 -12.346 -8.741 6.590 49 HB ILE 7 HB ILE 7 -9.889 -8.015 4.954 50 HG12 ILE 7 1HG1 ILE 7 -10.108 -10.545 6.640 51 HG13 ILE 7 2HG1 ILE 7 -10.445 -10.553 4.917 52 HG21 ILE 7 1HG2 ILE 7 -10.117 -8.554 7.952 53 HG22 ILE 7 2HG2 ILE 7 -8.751 -7.831 7.041 54 HG23 ILE 7 3HG2 ILE 7 -10.251 -6.938 7.250 55 HD11 ILE 7 3HD1 ILE 7 -8.185 -11.218 5.168 56 HD12 ILE 7 1HD1 ILE 7 -8.193 -9.612 4.446 57 HD13 ILE 7 2HD1 ILE 7 -7.792 -9.806 6.172 58 H ASP 8 H ASP 8 -14.178 -7.304 6.021 59 HA ASP 8 HA ASP 8 -15.200 -5.276 5.692 60 HB2 ASP 8 1HB ASP 8 -14.246 -4.984 7.933 61 HB3 ASP 8 2HB ASP 8 -12.763 -4.519 7.270 62 H LEU 9 H LEU 9 -13.554 -6.208 3.607 63 HA LEU 9 HA LEU 9 -11.809 -4.124 2.748 64 HB2 LEU 9 1HB LEU 9 -11.846 -6.884 2.513 65 HB3 LEU 9 2HB LEU 9 -12.288 -6.389 0.881 66 HG LEU 9 HG LEU 9 -9.780 -5.675 2.478 67 HD11 LEU 9 1HD1 LEU 9 -8.674 -6.795 0.611 68 HD12 LEU 9 2HD1 LEU 9 -9.917 -7.863 1.311 69 HD13 LEU 9 3HD1 LEU 9 -10.251 -6.980 -0.208 70 HD21 LEU 9 3HD2 LEU 9 -10.246 -3.650 1.221 71 HD22 LEU 9 1HD2 LEU 9 -8.956 -4.523 0.414 72 HD23 LEU 9 2HD2 LEU 9 -10.601 -4.583 -0.249 73 H VAL 10 H VAL 10 -12.089 -2.716 1.212 74 HA VAL 10 HA VAL 10 -14.680 -2.611 -0.266 75 HB VAL 10 HB VAL 10 -15.057 -0.308 0.517 76 HG11 VAL 10 1HG1 VAL 10 -16.470 -2.262 1.085 77 HG12 VAL 10 2HG1 VAL 10 -15.480 -2.565 2.530 78 HG13 VAL 10 3HG1 VAL 10 -16.419 -1.062 2.378 79 HG21 VAL 10 3HG2 VAL 10 -13.501 -1.247 2.951 80 HG22 VAL 10 1HG2 VAL 10 -12.891 -0.160 1.701 81 HG23 VAL 10 2HG2 VAL 10 -14.330 0.300 2.647 82 HA PRO 11 HA PRO 11 -11.653 -1.098 -3.179 83 HB2 PRO 11 1HB PRO 11 -13.655 -0.538 -5.088 84 HB3 PRO 11 2HB PRO 11 -12.483 -1.845 -5.092 85 HG2 PRO 11 1HG PRO 11 -15.278 -2.185 -4.699 86 HG3 PRO 11 2HG PRO 11 -14.002 -3.386 -4.383 87 HD2 PRO 11 1HD PRO 11 -15.436 -1.623 -2.427 88 HD3 PRO 11 2HD PRO 11 -14.676 -3.229 -2.222 89 H THR 12 H THR 12 -10.978 1.023 -3.421 90 HA THR 12 HA THR 12 -12.902 3.226 -3.371 91 HB THR 12 HB THR 12 -12.143 3.022 -1.053 92 HG1 THR 12 1HG THR 12 -12.510 5.049 -1.237 93 HG21 THR 12 3HG2 THR 12 -9.342 3.564 -2.142 94 HG22 THR 12 1HG2 THR 12 -9.846 3.718 -0.449 95 HG23 THR 12 2HG2 THR 12 -9.917 2.141 -1.232 96 H GLN 13 H GLN 13 -10.874 5.208 -3.545 97 HA GLN 13 HA GLN 13 -9.313 4.573 -5.929 98 HB2 GLN 13 1HB GLN 13 -10.456 6.423 -7.214 99 HB3 GLN 13 2HB GLN 13 -11.459 5.020 -6.856 100 HG2 GLN 13 1HG GLN 13 -12.471 6.359 -4.914 101 HG3 GLN 13 2HG GLN 13 -11.691 7.762 -5.641 102 HE21 GLN 13 1HE2 GLN 13 -13.764 8.760 -6.200 103 HE22 GLN 13 2HE2 GLN 13 -14.779 8.071 -7.449 104 HA PRO 14 HA PRO 14 -7.002 8.097 -4.187 105 HB2 PRO 14 1HB PRO 14 -5.735 9.021 -6.406 106 HB3 PRO 14 2HB PRO 14 -5.238 7.541 -5.533 107 HG2 PRO 14 1HG PRO 14 -6.902 7.753 -8.059 108 HG3 PRO 14 2HG PRO 14 -5.540 6.639 -7.733 109 HD2 PRO 14 1HD PRO 14 -8.188 5.932 -7.457 110 HD3 PRO 14 2HD PRO 14 -6.892 5.214 -6.462 111 H LEU 15 H LEU 15 -7.669 10.082 -3.925 112 HA LEU 15 HA LEU 15 -9.895 11.143 -5.522 113 HB2 LEU 15 1HB LEU 15 -10.125 12.733 -3.974 114 HB3 LEU 15 2HB LEU 15 -9.516 11.442 -3.003 115 HG LEU 15 HG LEU 15 -7.374 13.221 -4.079 116 HD11 LEU 15 1HD1 LEU 15 -9.395 14.307 -2.069 117 HD12 LEU 15 2HD1 LEU 15 -7.933 15.126 -2.694 118 HD13 LEU 15 3HD1 LEU 15 -9.276 14.791 -3.776 119 HD21 LEU 15 3HD2 LEU 15 -6.756 11.586 -2.512 120 HD22 LEU 15 1HD2 LEU 15 -6.573 13.162 -1.766 121 HD23 LEU 15 2HD2 LEU 15 -7.973 12.126 -1.342 122 HA PRO 16 HA PRO 16 -7.413 13.429 -8.446 123 HB2 PRO 16 1HB PRO 16 -9.003 15.620 -8.918 124 HB3 PRO 16 2HB PRO 16 -9.371 13.992 -9.534 125 HG2 PRO 16 1HG PRO 16 -10.728 15.484 -7.348 126 HG3 PRO 16 2HG PRO 16 -11.303 14.084 -8.318 127 HD2 PRO 16 1HD PRO 16 -10.086 14.124 -5.686 128 HD3 PRO 16 2HD PRO 16 -10.844 12.770 -6.508 129 H ASN 17 H ASN 17 -6.448 15.777 -8.611 130 HA ASN 17 HA ASN 17 -5.313 17.525 -7.788 131 HB2 ASN 17 1HB ASN 17 -6.452 17.703 -5.075 132 HB3 ASN 17 2HB ASN 17 -6.206 18.941 -6.280 133 HD21 ASN 17 1HD2 ASN 17 -8.520 17.865 -4.388 134 HD22 ASN 17 2HD2 ASN 17 -9.913 17.804 -5.416 135 H ALA 18 H ALA 18 -5.514 14.674 -5.774 136 HA ALA 18 HA ALA 18 -3.429 15.179 -3.944 137 HB1 ALA 18 1HB ALA 18 -4.349 12.544 -5.177 138 HB2 ALA 18 2HB ALA 18 -3.418 12.730 -3.678 139 HB3 ALA 18 3HB ALA 18 -5.067 13.343 -3.768 140 H SER 19 H SER 19 -1.206 14.857 -4.011 141 HA SER 19 HA SER 19 0.175 13.782 -6.295 142 HB2 SER 19 1HB SER 19 -0.159 16.724 -5.924 143 HB3 SER 19 2HB SER 19 1.527 16.190 -6.048 144 HG SER 19 HG SER 19 -0.511 16.137 -7.931 145 H PHE 20 H PHE 20 2.496 13.692 -5.821 146 HA PHE 20 HA PHE 20 2.617 12.553 -3.242 147 HB2 PHE 20 1HB PHE 20 3.530 11.531 -5.330 148 HB3 PHE 20 2HB PHE 20 4.708 12.828 -5.446 149 HD1 PHE 20 2HD PHE 20 3.587 10.541 -2.606 150 HD2 PHE 20 1HD PHE 20 6.855 12.135 -4.942 151 HE1 PHE 20 2HE PHE 20 5.200 9.326 -1.179 152 HE2 PHE 20 1HE PHE 20 8.431 10.962 -3.515 153 HZ PHE 20 HZ PHE 20 7.613 9.539 -1.596 154 H ASP 21 H ASP 21 5.077 12.748 -2.110 155 HA ASP 21 HA ASP 21 5.610 15.535 -1.566 156 HB2 ASP 21 1HB ASP 21 3.402 14.918 -0.442 157 HB3 ASP 21 2HB ASP 21 4.262 13.665 0.438 158 H ASN 22 H ASN 22 7.085 15.476 0.593 159 HA ASN 22 HA ASN 22 9.190 13.446 0.365 160 HB2 ASN 22 1HB ASN 22 8.779 15.943 1.988 161 HB3 ASN 22 2HB ASN 22 9.932 14.764 2.568 162 HD21 ASN 22 1HD2 ASN 22 11.389 13.773 0.498 163 HD22 ASN 22 2HD2 ASN 22 12.173 15.099 -0.262 164 H PHE 23 H PHE 23 6.399 12.405 1.174 165 HA PHE 23 HA PHE 23 7.032 11.518 3.934 166 HB2 PHE 23 1HB PHE 23 5.083 10.324 4.054 167 HB3 PHE 23 2HB PHE 23 4.652 11.874 3.366 168 HD1 PHE 23 2HD PHE 23 5.264 8.211 2.560 169 HD2 PHE 23 1HD PHE 23 3.364 11.924 1.361 170 HE1 PHE 23 2HE PHE 23 3.924 7.007 0.912 171 HE2 PHE 23 1HE PHE 23 1.985 10.669 -0.255 172 HZ PHE 23 HZ PHE 23 2.262 8.205 -0.445 173 H LYS 24 H LYS 24 8.006 9.671 4.396 174 HA LYS 24 HA LYS 24 8.719 7.751 2.227 175 HB2 LYS 24 1HB LYS 24 10.576 8.564 3.575 176 HB3 LYS 24 2HB LYS 24 9.764 8.124 5.065 177 HG2 LYS 24 1HG LYS 24 9.992 5.767 4.504 178 HG3 LYS 24 2HG LYS 24 10.493 6.188 2.857 179 HD2 LYS 24 1HD LYS 24 12.537 7.361 4.138 180 HD3 LYS 24 2HD LYS 24 12.059 6.235 5.440 181 HE2 LYS 24 1HE LYS 24 11.997 4.350 3.743 182 HE3 LYS 24 2HE LYS 24 12.578 5.481 2.516 183 HZ1 LYS 24 3HZ LYS 24 14.404 4.324 3.225 184 HZ2 LYS 24 1HZ LYS 24 14.598 5.740 4.009 185 HZ3 LYS 24 2HZ LYS 24 14.061 4.427 4.827 186 H LEU 25 H LEU 25 8.273 5.525 2.792 187 HA LEU 25 HA LEU 25 6.526 5.075 5.129 188 HB2 LEU 25 1HB LEU 25 5.331 3.231 3.891 189 HB3 LEU 25 2HB LEU 25 4.904 4.897 3.556 190 HG LEU 25 HG LEU 25 6.252 4.830 1.447 191 HD11 LEU 25 1HD1 LEU 25 7.670 2.806 1.945 192 HD12 LEU 25 2HD1 LEU 25 6.214 1.801 1.943 193 HD13 LEU 25 3HD1 LEU 25 6.754 2.625 0.463 194 HD21 LEU 25 3HD2 LEU 25 4.002 2.818 1.636 195 HD22 LEU 25 1HD2 LEU 25 3.812 4.581 1.476 196 HD23 LEU 25 2HD2 LEU 25 4.568 3.656 0.176 197 H THR 26 H THR 26 6.933 3.098 6.246 198 HA THR 26 HA THR 26 9.435 1.693 5.546 199 HB THR 26 HB THR 26 10.299 2.143 7.732 200 HG1 THR 26 1HG THR 26 9.014 3.645 9.108 201 HG21 THR 26 3HG2 THR 26 9.152 4.816 6.806 202 HG22 THR 26 1HG2 THR 26 10.579 4.575 7.805 203 HG23 THR 26 2HG2 THR 26 10.594 4.044 6.105 204 H CYS 27 H CYS 27 9.637 -0.327 7.097 205 HA CYS 27 HA CYS 27 7.270 -1.307 8.387 206 HB2 CYS 27 1HB CYS 27 6.516 -1.536 6.070 207 HB3 CYS 27 2HB CYS 27 7.982 -2.320 5.607 208 HG CYS 27 HG CYS 27 5.528 -3.323 7.588 209 H SER 28 H SER 28 7.715 -3.790 8.865 210 HA SER 28 HA SER 28 10.325 -4.507 9.748 211 HB2 SER 28 1HB SER 28 7.817 -5.957 9.016 212 HB3 SER 28 2HB SER 28 9.314 -6.887 9.070 213 HG SER 28 HG SER 28 8.074 -5.412 11.140 214 H ASN 29 H ASN 29 8.665 -5.048 6.546 215 HA ASN 29 HA ASN 29 11.155 -6.342 5.595 216 HB2 ASN 29 1HB ASN 29 8.903 -7.306 5.038 217 HB3 ASN 29 2HB ASN 29 8.615 -5.906 4.006 218 HD21 ASN 29 1HD2 ASN 29 9.548 -9.007 3.797 219 HD22 ASN 29 2HD2 ASN 29 10.725 -8.936 2.493 220 H THR 30 H THR 30 12.715 -4.926 5.183 221 HA THR 30 HA THR 30 12.365 -2.227 4.440 222 HB THR 30 HB THR 30 14.779 -2.329 3.772 223 HG1 THR 30 1HG THR 30 14.445 -5.067 4.518 224 HG21 THR 30 3HG2 THR 30 14.102 -3.597 6.468 225 HG22 THR 30 1HG2 THR 30 15.628 -2.798 6.034 226 HG23 THR 30 2HG2 THR 30 14.132 -1.863 6.098 227 H LYS 31 H LYS 31 13.192 -5.032 2.098 228 HA LYS 31 HA LYS 31 13.196 -3.366 -0.135 229 HB2 LYS 31 1HB LYS 31 14.247 -5.513 -0.177 230 HB3 LYS 31 2HB LYS 31 12.793 -6.306 0.412 231 HG2 LYS 31 1HG LYS 31 13.122 -6.867 -1.875 232 HG3 LYS 31 2HG LYS 31 11.632 -5.947 -1.702 233 HD2 LYS 31 1HD LYS 31 12.818 -3.907 -2.596 234 HD3 LYS 31 2HD LYS 31 14.304 -4.870 -2.768 235 HE2 LYS 31 1HE LYS 31 13.115 -6.508 -4.115 236 HE3 LYS 31 2HE LYS 31 11.583 -5.653 -3.873 237 HZ1 LYS 31 3HZ LYS 31 12.244 -3.963 -5.351 238 HZ2 LYS 31 1HZ LYS 31 13.854 -4.345 -5.252 239 HZ3 LYS 31 2HZ LYS 31 12.830 -5.309 -6.077 240 H PHE 32 H PHE 32 10.426 -4.932 1.573 241 HA PHE 32 HA PHE 32 8.526 -4.443 -0.499 242 HB2 PHE 32 1HB PHE 32 8.131 -5.755 1.642 243 HB3 PHE 32 2HB PHE 32 8.096 -4.212 2.506 244 HD1 PHE 32 2HD PHE 32 6.554 -5.625 -0.605 245 HD2 PHE 32 1HD PHE 32 5.855 -3.562 3.100 246 HE1 PHE 32 2HE PHE 32 4.127 -5.624 -1.085 247 HE2 PHE 32 1HE PHE 32 3.427 -3.521 2.590 248 HZ PHE 32 HZ PHE 32 2.556 -4.565 0.522 249 H ALA 33 H ALA 33 9.240 -2.423 2.409 250 HA ALA 33 HA ALA 33 7.743 -0.185 1.545 251 HB1 ALA 33 1HB ALA 33 10.187 -0.317 3.368 252 HB2 ALA 33 2HB ALA 33 9.062 1.045 3.233 253 HB3 ALA 33 3HB ALA 33 8.488 -0.512 3.869 254 H ASP 34 H ASP 34 11.085 -1.115 0.857 255 HA ASP 34 HA ASP 34 11.727 1.519 -0.177 256 HB2 ASP 34 1HB ASP 34 13.314 -0.134 1.028 257 HB3 ASP 34 2HB ASP 34 13.541 -0.852 -0.571 258 H ASP 35 H ASP 35 10.698 -1.498 -1.665 259 HA ASP 35 HA ASP 35 11.178 -0.721 -4.440 260 HB2 ASP 35 1HB ASP 35 10.848 -3.070 -3.601 261 HB3 ASP 35 2HB ASP 35 9.154 -2.644 -3.398 262 H LEU 36 H LEU 36 8.560 -0.519 -2.065 263 HA LEU 36 HA LEU 36 6.608 0.586 -3.822 264 HB2 LEU 36 1HB LEU 36 6.899 0.626 -0.802 265 HB3 LEU 36 2HB LEU 36 5.476 1.238 -1.639 266 HG LEU 36 HG LEU 36 6.476 -1.631 -1.962 267 HD11 LEU 36 1HD1 LEU 36 4.505 -2.122 -0.392 268 HD12 LEU 36 2HD1 LEU 36 5.958 -1.428 0.342 269 HD13 LEU 36 3HD1 LEU 36 4.569 -0.395 0.039 270 HD21 LEU 36 3HD2 LEU 36 3.922 -0.280 -2.780 271 HD22 LEU 36 1HD2 LEU 36 5.153 -1.028 -3.813 272 HD23 LEU 36 2HD2 LEU 36 4.192 -2.050 -2.747 273 H ASN 37 H ASN 37 8.853 2.094 -1.458 274 HA ASN 37 HA ASN 37 8.260 4.821 -1.843 275 HB2 ASN 37 1HB ASN 37 10.717 3.234 -1.065 276 HB3 ASN 37 2HB ASN 37 10.877 4.917 -1.405 277 HD21 ASN 37 1HD2 ASN 37 10.340 2.792 1.030 278 HD22 ASN 37 2HD2 ASN 37 9.727 3.854 2.260 279 H GLN 38 H GLN 38 10.121 2.537 -3.870 280 HA GLN 38 HA GLN 38 11.566 4.429 -5.451 281 HB2 GLN 38 1HB GLN 38 11.266 1.581 -5.193 282 HB3 GLN 38 2HB GLN 38 11.030 1.972 -6.869 283 HG2 GLN 38 1HG GLN 38 13.370 2.962 -5.184 284 HG3 GLN 38 2HG GLN 38 13.368 1.423 -6.047 285 HE21 GLN 38 1HE2 GLN 38 15.355 3.143 -6.538 286 HE22 GLN 38 2HE2 GLN 38 15.219 3.840 -8.150 287 H MET 39 H MET 39 8.425 2.662 -5.834 288 HA MET 39 HA MET 39 7.929 3.544 -8.417 289 HB2 MET 39 1HB MET 39 5.992 2.801 -6.198 290 HB3 MET 39 2HB MET 39 5.568 2.875 -7.909 291 HG2 MET 39 1HG MET 39 6.733 0.938 -8.428 292 HG3 MET 39 2HG MET 39 7.851 1.118 -7.076 293 HE1 MET 39 3HE MET 39 4.003 0.069 -7.876 294 HE2 MET 39 1HE MET 39 3.458 0.058 -6.185 295 HE3 MET 39 2HE MET 39 4.046 1.561 -6.923 296 H THR 40 H THR 40 7.121 5.044 -5.295 297 HA THR 40 HA THR 40 5.462 7.085 -6.627 298 HB THR 40 HB THR 40 4.697 6.028 -4.580 299 HG1 THR 40 1HG THR 40 5.208 8.779 -4.295 300 HG21 THR 40 3HG2 THR 40 7.045 7.399 -3.218 301 HG22 THR 40 1HG2 THR 40 5.650 6.687 -2.384 302 HG23 THR 40 2HG2 THR 40 6.724 5.658 -3.343 303 H GLY 41 H GLY 41 8.809 6.691 -6.201 304 HA2 GLY 41 1HA GLY 41 10.422 8.199 -6.794 305 HA3 GLY 41 2HA GLY 41 9.200 9.455 -6.963 306 H PHE 42 H PHE 42 9.677 7.583 -3.954 307 HA PHE 42 HA PHE 42 9.742 9.889 -2.280 308 HB2 PHE 42 1HB PHE 42 9.122 7.863 -1.261 309 HB3 PHE 42 2HB PHE 42 10.474 7.003 -1.979 310 HD1 PHE 42 2HD PHE 42 9.979 9.950 0.408 311 HD2 PHE 42 1HD PHE 42 12.273 6.439 -0.673 312 HE1 PHE 42 2HE PHE 42 11.578 10.480 2.104 313 HE2 PHE 42 1HE PHE 42 13.852 6.913 1.153 314 HZ PHE 42 HZ PHE 42 13.520 8.910 2.561 315 H THR 43 H THR 43 11.367 11.183 -1.443 316 HA THR 43 HA THR 43 14.066 10.146 -1.469 317 HB THR 43 HB THR 43 13.588 11.568 -3.635 318 HG1 THR 43 1HG THR 43 15.600 10.972 -3.232 319 HG21 THR 43 3HG2 THR 43 14.106 13.886 -1.748 320 HG22 THR 43 1HG2 THR 43 13.939 13.938 -3.506 321 HG23 THR 43 2HG2 THR 43 12.547 13.515 -2.505 322 H LYS 44 H LYS 44 15.479 11.228 -0.036 323 HA LYS 44 HA LYS 44 14.063 12.315 2.290 324 HB2 LYS 44 1HB LYS 44 16.603 10.886 1.746 325 HB3 LYS 44 2HB LYS 44 16.809 12.192 2.883 326 HG2 LYS 44 1HG LYS 44 15.534 11.186 4.522 327 HG3 LYS 44 2HG LYS 44 14.418 10.515 3.345 328 HD2 LYS 44 1HD LYS 44 15.594 8.731 4.496 329 HD3 LYS 44 2HD LYS 44 16.017 8.751 2.772 330 HE2 LYS 44 1HE LYS 44 18.038 10.223 3.492 331 HE3 LYS 44 2HE LYS 44 17.665 9.717 5.150 332 HZ1 LYS 44 3HZ LYS 44 18.000 7.451 4.456 333 HZ2 LYS 44 1HZ LYS 44 18.279 7.921 2.890 334 HZ3 LYS 44 2HZ LYS 44 19.344 8.340 4.068 335 HA PRO 45 HA PRO 45 15.403 13.293 4.134 336 HB2 PRO 45 1HB PRO 45 14.554 15.402 5.542 337 HB3 PRO 45 2HB PRO 45 16.282 15.116 5.144 338 HG2 PRO 45 1HG PRO 45 14.310 16.982 3.793 339 HG3 PRO 45 2HG PRO 45 16.030 17.289 4.189 340 HD2 PRO 45 1HD PRO 45 15.172 16.520 1.680 341 HD3 PRO 45 2HD PRO 45 16.765 16.051 2.332 342 H ALA 46 H ALA 46 13.597 12.124 4.801 343 HA ALA 46 HA ALA 46 11.122 12.743 3.528 344 HB1 ALA 46 1HB ALA 46 10.390 10.706 4.265 345 HB2 ALA 46 2HB ALA 46 12.129 10.414 4.155 346 HB3 ALA 46 3HB ALA 46 11.396 10.702 5.740 347 H SER 47 H SER 47 9.705 14.184 4.332 348 HA SER 47 HA SER 47 10.034 15.542 6.836 349 HB2 SER 47 1HB SER 47 7.554 15.409 5.071 350 HB3 SER 47 2HB SER 47 7.955 16.680 6.245 351 HG SER 47 HG SER 47 9.424 17.482 4.916 352 H ARG 48 H ARG 48 8.250 12.639 5.915 353 HA ARG 48 HA ARG 48 7.973 12.064 8.710 354 HB2 ARG 48 1HB ARG 48 5.671 11.337 8.708 355 HB3 ARG 48 2HB ARG 48 5.723 13.051 8.296 356 HG2 ARG 48 1HG ARG 48 5.105 12.657 6.032 357 HG3 ARG 48 2HG ARG 48 5.652 10.991 6.088 358 HD2 ARG 48 1HD ARG 48 3.567 10.370 6.299 359 HD3 ARG 48 2HD ARG 48 3.633 10.893 7.977 360 HE ARG 48 HE ARG 48 2.010 11.902 5.921 361 HH11 ARG 48 2HH2 ARG 48 3.587 12.982 8.920 362 HH12 ARG 48 1HH2 ARG 48 2.851 14.527 8.899 363 HH21 ARG 48 2HH1 ARG 48 0.943 13.980 5.988 364 HH22 ARG 48 1HH1 ARG 48 1.345 15.073 7.276 365 H GLU 49 H GLU 49 7.392 9.766 9.039 366 HA GLU 49 HA GLU 49 8.004 8.002 6.743 367 HB2 GLU 49 1HB GLU 49 9.128 7.973 9.553 368 HB3 GLU 49 2HB GLU 49 9.107 6.529 8.526 369 HG2 GLU 49 1HG GLU 49 10.557 7.436 6.927 370 HG3 GLU 49 2HG GLU 49 10.350 9.099 7.492 371 H LEU 50 H LEU 50 5.987 7.268 6.399 372 HA LEU 50 HA LEU 50 4.059 6.608 8.532 373 HB2 LEU 50 1HB LEU 50 4.128 5.547 5.699 374 HB3 LEU 50 2HB LEU 50 2.775 5.464 6.793 375 HG LEU 50 HG LEU 50 3.898 8.085 5.718 376 HD11 LEU 50 1HD1 LEU 50 2.001 8.115 4.164 377 HD12 LEU 50 2HD1 LEU 50 3.031 6.712 3.856 378 HD13 LEU 50 3HD1 LEU 50 1.470 6.523 4.730 379 HD21 LEU 50 3HD2 LEU 50 1.249 7.409 7.091 380 HD22 LEU 50 1HD2 LEU 50 2.621 8.286 7.815 381 HD23 LEU 50 2HD2 LEU 50 1.720 8.994 6.485 382 H SER 51 H SER 51 3.517 4.317 8.961 383 HA SER 51 HA SER 51 5.790 2.440 8.480 384 HB2 SER 51 1HB SER 51 5.350 3.484 10.898 385 HB3 SER 51 2HB SER 51 4.120 2.207 10.952 386 HG SER 51 HG SER 51 6.826 2.095 11.140 387 H VAL 52 H VAL 52 5.175 0.366 7.755 388 HA VAL 52 HA VAL 52 2.266 -0.071 7.279 389 HB VAL 52 HB VAL 52 4.805 -0.483 5.703 390 HG11 VAL 52 1HG1 VAL 52 3.487 -1.832 4.049 391 HG12 VAL 52 2HG1 VAL 52 3.977 -2.685 5.512 392 HG13 VAL 52 3HG1 VAL 52 2.304 -2.138 5.355 393 HG21 VAL 52 3HG2 VAL 52 3.436 1.565 5.406 394 HG22 VAL 52 1HG2 VAL 52 3.606 0.597 3.942 395 HG23 VAL 52 2HG2 VAL 52 2.092 0.533 4.861 396 H THR 53 H THR 53 1.385 -2.085 7.857 397 HA THR 53 HA THR 53 3.224 -4.120 9.000 398 HB THR 53 HB THR 53 1.440 -4.495 10.691 399 HG1 THR 53 1HG THR 53 -0.332 -3.548 10.077 400 HG21 THR 53 3HG2 THR 53 2.655 -1.695 10.780 401 HG22 THR 53 1HG2 THR 53 2.053 -2.630 12.161 402 HG23 THR 53 2HG2 THR 53 3.471 -3.200 11.257 403 H PHE 54 H PHE 54 2.558 -6.290 8.713 404 HA PHE 54 HA PHE 54 0.733 -6.721 6.418 405 HB2 PHE 54 1HB PHE 54 2.612 -8.626 7.867 406 HB3 PHE 54 2HB PHE 54 1.705 -8.980 6.410 407 HD1 PHE 54 1HD PHE 54 2.126 -7.311 4.369 408 HD2 PHE 54 2HD PHE 54 4.861 -7.911 7.648 409 HE1 PHE 54 1HE PHE 54 4.000 -6.494 2.956 410 HE2 PHE 54 2HE PHE 54 6.714 -7.075 6.250 411 HZ PHE 54 HZ PHE 54 6.281 -6.365 3.887 412 H PHE 55 H PHE 55 -1.286 -7.684 6.660 413 HA PHE 55 HA PHE 55 -2.438 -7.877 9.118 414 HB2 PHE 55 1HB PHE 55 -3.291 -8.278 6.496 415 HB3 PHE 55 2HB PHE 55 -3.629 -9.801 7.266 416 HD1 PHE 55 2HD PHE 55 -3.927 -6.148 8.176 417 HD2 PHE 55 1HD PHE 55 -5.786 -10.035 8.105 418 HE1 PHE 55 2HE PHE 55 -6.014 -5.178 9.133 419 HE2 PHE 55 1HE PHE 55 -7.845 -9.077 9.059 420 HZ PHE 55 HZ PHE 55 -7.969 -6.637 9.579 421 HA PRO 56 HA PRO 56 -3.827 -8.745 10.422 422 HB2 PRO 56 1HB PRO 56 -4.406 -10.015 12.723 423 HB3 PRO 56 2HB PRO 56 -5.086 -10.538 11.159 424 HG2 PRO 56 1HG PRO 56 -2.683 -11.693 12.608 425 HG3 PRO 56 2HG PRO 56 -4.065 -12.572 11.890 426 HD2 PRO 56 1HD PRO 56 -1.683 -12.207 10.539 427 HD3 PRO 56 2HD PRO 56 -3.251 -12.261 9.702 428 H ASP 57 H ASP 57 -2.123 -7.161 10.559 429 HA ASP 57 HA ASP 57 -1.640 -6.478 13.283 430 HB2 ASP 57 1HB ASP 57 0.556 -7.460 12.825 431 HB3 ASP 57 2HB ASP 57 0.669 -6.585 11.295 432 H LEU 58 H LEU 58 -2.645 -4.584 13.240 433 HA LEU 58 HA LEU 58 -2.377 -2.739 10.973 434 HB2 LEU 58 1HB LEU 58 -4.752 -2.124 11.297 435 HB3 LEU 58 2HB LEU 58 -4.481 -3.681 10.548 436 HG LEU 58 HG LEU 58 -5.130 -3.432 13.517 437 HD11 LEU 58 1HD1 LEU 58 -6.897 -2.353 12.130 438 HD12 LEU 58 2HD1 LEU 58 -7.068 -3.859 11.203 439 HD13 LEU 58 3HD1 LEU 58 -7.459 -3.812 12.944 440 HD21 LEU 58 3HD2 LEU 58 -4.405 -5.698 13.057 441 HD22 LEU 58 1HD2 LEU 58 -6.148 -5.763 13.053 442 HD23 LEU 58 2HD2 LEU 58 -5.269 -5.747 11.512 443 H ASN 59 H ASN 59 -0.817 -2.982 13.375 444 HA ASN 59 HA ASN 59 -1.574 -0.758 15.106 445 HB2 ASN 59 1HB ASN 59 1.055 -2.267 14.676 446 HB3 ASN 59 2HB ASN 59 0.901 -0.875 15.733 447 HD21 ASN 59 1HD2 ASN 59 -0.357 -4.092 15.166 448 HD22 ASN 59 2HD2 ASN 59 -0.906 -4.443 16.808 449 H GLY 60 H GLY 60 0.192 -1.259 12.119 450 HA2 GLY 60 1HA GLY 60 1.881 0.919 11.932 451 HA3 GLY 60 2HA GLY 60 1.098 0.153 10.556 452 H ASP 61 H ASP 61 1.616 2.631 10.031 453 HA ASP 61 HA ASP 61 -0.719 4.349 10.614 454 HB2 ASP 61 1HB ASP 61 1.788 5.082 9.781 455 HB3 ASP 61 2HB ASP 61 1.035 4.858 8.226 456 H VAL 62 H VAL 62 0.539 2.099 8.192 457 HA VAL 62 HA VAL 62 -2.060 2.108 6.713 458 HB VAL 62 HB VAL 62 0.776 2.202 5.622 459 HG11 VAL 62 1HG1 VAL 62 -0.663 2.419 3.365 460 HG12 VAL 62 2HG1 VAL 62 -0.107 0.881 4.000 461 HG13 VAL 62 3HG1 VAL 62 -1.766 1.363 4.261 462 HG21 VAL 62 3HG2 VAL 62 -1.484 4.208 5.680 463 HG22 VAL 62 1HG2 VAL 62 0.182 4.399 6.191 464 HG23 VAL 62 2HG2 VAL 62 -0.192 4.305 4.473 465 H VAL 63 H VAL 63 -2.461 -0.035 5.656 466 HA VAL 63 HA VAL 63 -1.146 -2.252 7.174 467 HB VAL 63 HB VAL 63 -4.055 -1.932 6.352 468 HG11 VAL 63 1HG1 VAL 63 -3.467 -4.275 6.640 469 HG12 VAL 63 2HG1 VAL 63 -2.702 -3.926 8.210 470 HG13 VAL 63 3HG1 VAL 63 -4.457 -3.747 7.992 471 HG21 VAL 63 3HG2 VAL 63 -3.594 -0.234 8.118 472 HG22 VAL 63 1HG2 VAL 63 -4.527 -1.542 8.794 473 HG23 VAL 63 2HG2 VAL 63 -2.780 -1.485 9.091 474 H ALA 64 H ALA 64 -1.110 -4.328 6.025 475 HA ALA 64 HA ALA 64 -1.536 -4.199 3.075 476 HB1 ALA 64 1HB ALA 64 0.427 -5.635 2.823 477 HB2 ALA 64 2HB ALA 64 0.886 -4.118 3.612 478 HB3 ALA 64 3HB ALA 64 0.707 -5.583 4.581 479 H ILE 65 H ILE 65 -2.905 -5.729 2.349 480 HA ILE 65 HA ILE 65 -3.820 -7.844 4.187 481 HB ILE 65 HB ILE 65 -5.058 -6.518 1.755 482 HG12 ILE 65 1HG1 ILE 65 -5.206 -5.245 3.912 483 HG13 ILE 65 2HG1 ILE 65 -6.755 -5.672 3.213 484 HG21 ILE 65 1HG2 ILE 65 -7.098 -7.915 2.224 485 HG22 ILE 65 2HG2 ILE 65 -5.723 -8.794 1.560 486 HG23 ILE 65 3HG2 ILE 65 -6.096 -8.930 3.290 487 HD11 ILE 65 3HD1 ILE 65 -5.440 -7.172 5.522 488 HD12 ILE 65 1HD1 ILE 65 -6.680 -5.920 5.682 489 HD13 ILE 65 2HD1 ILE 65 -7.077 -7.441 4.879 490 H ASP 66 H ASP 66 -3.857 -10.061 3.208 491 HA ASP 66 HA ASP 66 -1.621 -10.524 1.429 492 HB2 ASP 66 1HB ASP 66 -2.427 -12.161 3.176 493 HB3 ASP 66 2HB ASP 66 -3.771 -12.550 2.087 494 H TYR 67 H TYR 67 -1.611 -10.860 -0.654 495 HA TYR 67 HA TYR 67 -3.366 -9.820 -2.550 496 HB2 TYR 67 1HB TYR 67 -1.169 -10.216 -3.265 497 HB3 TYR 67 2HB TYR 67 -1.070 -11.754 -2.437 498 HD1 TYR 67 1HD TYR 67 -2.156 -13.827 -3.371 499 HD2 TYR 67 2HD TYR 67 -1.687 -10.187 -5.621 500 HE1 TYR 67 1HE TYR 67 -2.674 -15.064 -5.468 501 HE2 TYR 67 2HE TYR 67 -2.174 -11.432 -7.727 502 HH TYR 67 HH TYR 67 -2.299 -13.581 -8.643 503 H ARG 68 H ARG 68 -3.738 -12.976 -0.913 504 HA ARG 68 HA ARG 68 -5.268 -14.261 -2.934 505 HB2 ARG 68 1HB ARG 68 -5.636 -14.316 0.075 506 HB3 ARG 68 2HB ARG 68 -6.144 -15.580 -1.063 507 HG2 ARG 68 1HG ARG 68 -3.336 -15.121 -1.474 508 HG3 ARG 68 2HG ARG 68 -3.652 -15.112 0.267 509 HD2 ARG 68 1HD ARG 68 -4.604 -17.311 0.153 510 HD3 ARG 68 2HD ARG 68 -4.577 -17.340 -1.617 511 HE ARG 68 HE ARG 68 -2.566 -18.246 0.110 512 HH11 ARG 68 2HH2 ARG 68 -2.908 -16.750 -3.053 513 HH12 ARG 68 1HH2 ARG 68 -1.206 -16.845 -3.435 514 HH21 ARG 68 2HH1 ARG 68 -0.489 -18.646 -0.464 515 HH22 ARG 68 1HH1 ARG 68 0.213 -18.086 -1.963 516 H HIS 69 H HIS 69 -6.098 -11.762 -0.698 517 HA HIS 69 HA HIS 69 -8.987 -11.812 -1.407 518 HB2 HIS 69 1HB HIS 69 -7.346 -10.146 0.489 519 HB3 HIS 69 2HB HIS 69 -8.887 -9.542 -0.074 520 HD1 HIS 69 1HD HIS 69 -7.783 -12.997 1.436 521 HD2 HIS 69 2HD HIS 69 -10.896 -10.139 1.392 522 HE1 HIS 69 1HE HIS 69 -9.637 -13.929 2.882 523 H TYR 70 H TYR 70 -6.362 -10.738 -3.207 524 HA TYR 70 HA TYR 70 -7.448 -8.250 -4.215 525 HB2 TYR 70 1HB TYR 70 -5.032 -8.723 -4.211 526 HB3 TYR 70 2HB TYR 70 -5.309 -10.125 -5.226 527 HD1 TYR 70 1HD TYR 70 -7.162 -7.095 -6.275 528 HD2 TYR 70 2HD TYR 70 -3.557 -9.436 -6.597 529 HE1 TYR 70 1HE TYR 70 -6.590 -5.930 -8.373 530 HE2 TYR 70 2HE TYR 70 -2.978 -8.320 -8.712 531 HH TYR 70 HH TYR 70 -3.761 -7.004 -10.340 532 H SER 71 H SER 71 -9.552 -8.742 -4.850 533 HA SER 71 HA SER 71 -9.876 -10.419 -7.280 534 HB2 SER 71 1HB SER 71 -11.890 -9.184 -5.344 535 HB3 SER 71 2HB SER 71 -12.317 -10.149 -6.752 536 HG SER 71 HG SER 71 -10.768 -11.775 -5.712 537 H ALA 72 H ALA 72 -11.169 -9.545 -9.036 538 HA ALA 72 HA ALA 72 -10.264 -7.048 -10.034 539 HB1 ALA 72 1HB ALA 72 -12.674 -8.722 -10.816 540 HB2 ALA 72 2HB ALA 72 -11.890 -7.511 -11.832 541 HB3 ALA 72 3HB ALA 72 -11.008 -8.990 -11.393 542 H SER 73 H SER 73 -12.922 -7.610 -7.810 543 HA SER 73 HA SER 73 -14.508 -5.367 -8.123 544 HB2 SER 73 1HB SER 73 -13.369 -6.275 -5.465 545 HB3 SER 73 2HB SER 73 -15.021 -5.766 -5.832 546 HG SER 73 HG SER 73 -15.408 -7.852 -6.488 547 H PHE 74 H PHE 74 -11.186 -5.701 -6.968 548 HA PHE 74 HA PHE 74 -10.989 -2.893 -6.076 549 HB2 PHE 74 1HB PHE 74 -9.008 -5.084 -5.552 550 HB3 PHE 74 2HB PHE 74 -9.237 -3.586 -4.707 551 HD1 PHE 74 2HD PHE 74 -11.551 -3.363 -3.303 552 HD2 PHE 74 1HD PHE 74 -9.954 -7.039 -4.794 553 HE1 PHE 74 2HE PHE 74 -12.794 -4.615 -1.545 554 HE2 PHE 74 1HE PHE 74 -11.354 -8.309 -3.192 555 HZ PHE 74 HZ PHE 74 -12.686 -7.115 -1.510 556 H LYS 75 H LYS 75 -10.946 -3.524 -9.016 557 HA LYS 75 HA LYS 75 -8.366 -4.078 -9.963 558 HB2 LYS 75 1HB LYS 75 -9.901 -4.487 -11.594 559 HB3 LYS 75 2HB LYS 75 -11.049 -3.406 -10.888 560 HG2 LYS 75 1HG LYS 75 -10.876 -2.289 -12.776 561 HG3 LYS 75 2HG LYS 75 -9.588 -1.499 -11.962 562 HD2 LYS 75 1HD LYS 75 -9.521 -3.466 -14.179 563 HD3 LYS 75 2HD LYS 75 -8.685 -1.917 -14.039 564 HE2 LYS 75 1HE LYS 75 -6.828 -3.162 -13.663 565 HE3 LYS 75 2HE LYS 75 -7.468 -3.338 -12.037 566 HZ1 LYS 75 3HZ LYS 75 -7.196 -5.548 -12.696 567 HZ2 LYS 75 1HZ LYS 75 -8.764 -5.307 -13.125 568 HZ3 LYS 75 2HZ LYS 75 -7.613 -5.254 -14.260 569 H LYS 76 H LYS 76 -9.905 -0.972 -9.071 570 HA LYS 76 HA LYS 76 -7.415 0.473 -9.875 571 HB2 LYS 76 1HB LYS 76 -10.259 1.425 -9.660 572 HB3 LYS 76 2HB LYS 76 -8.836 2.465 -9.833 573 HG2 LYS 76 1HG LYS 76 -8.306 1.100 -11.967 574 HG3 LYS 76 2HG LYS 76 -9.986 0.548 -11.839 575 HD2 LYS 76 1HD LYS 76 -10.842 2.755 -11.818 576 HD3 LYS 76 2HD LYS 76 -9.242 3.485 -11.791 577 HE2 LYS 76 1HE LYS 76 -8.709 2.540 -14.010 578 HE3 LYS 76 2HE LYS 76 -10.317 1.785 -14.082 579 HZ1 LYS 76 3HZ LYS 76 -9.917 4.705 -13.814 580 HZ2 LYS 76 1HZ LYS 76 -10.144 3.947 -15.253 581 HZ3 LYS 76 2HZ LYS 76 -11.319 3.896 -14.099 582 H GLY 77 H GLY 77 -8.523 -0.986 -7.166 583 HA2 GLY 77 1HA GLY 77 -6.878 -0.676 -5.412 584 HA3 GLY 77 2HA GLY 77 -7.241 1.060 -5.386 585 H ALA 78 H ALA 78 -7.325 -0.184 -2.959 586 HA ALA 78 HA ALA 78 -10.147 -0.265 -2.263 587 HB1 ALA 78 1HB ALA 78 -9.925 -2.438 -1.122 588 HB2 ALA 78 2HB ALA 78 -9.572 -2.622 -2.842 589 HB3 ALA 78 3HB ALA 78 -8.246 -2.588 -1.682 590 H LYS 79 H LYS 79 -10.295 -0.465 0.209 591 HA LYS 79 HA LYS 79 -7.969 0.326 1.795 592 HB2 LYS 79 1HB LYS 79 -9.348 2.157 2.824 593 HB3 LYS 79 2HB LYS 79 -8.966 2.488 1.137 594 HG2 LYS 79 1HG LYS 79 -11.259 1.627 0.476 595 HG3 LYS 79 2HG LYS 79 -11.453 1.149 2.117 596 HD2 LYS 79 1HD LYS 79 -11.318 3.719 2.617 597 HD3 LYS 79 2HD LYS 79 -11.860 3.834 0.962 598 HE2 LYS 79 1HE LYS 79 -13.937 3.586 2.011 599 HE3 LYS 79 2HE LYS 79 -13.562 1.899 1.660 600 HZ1 LYS 79 3HZ LYS 79 -14.225 2.068 3.959 601 HZ2 LYS 79 1HZ LYS 79 -12.619 1.843 4.034 602 HZ3 LYS 79 2HZ LYS 79 -13.237 3.341 4.248 603 H LEU 80 H LEU 80 -9.062 0.417 4.212 604 HA LEU 80 HA LEU 80 -10.829 -1.922 4.603 605 HB2 LEU 80 1HB LEU 80 -8.139 -1.636 5.380 606 HB3 LEU 80 2HB LEU 80 -8.988 -1.130 6.821 607 HG LEU 80 HG LEU 80 -9.240 -3.781 5.323 608 HD11 LEU 80 1HD1 LEU 80 -7.061 -3.488 6.468 609 HD12 LEU 80 2HD1 LEU 80 -7.901 -3.087 7.980 610 HD13 LEU 80 3HD1 LEU 80 -8.050 -4.718 7.281 611 HD21 LEU 80 3HD2 LEU 80 -10.500 -4.567 7.278 612 HD22 LEU 80 1HD2 LEU 80 -10.428 -2.942 8.002 613 HD23 LEU 80 2HD2 LEU 80 -11.312 -3.231 6.474 614 H LEU 81 H LEU 81 -11.522 -1.468 7.109 615 HA LEU 81 HA LEU 81 -13.494 -0.021 7.562 616 HB2 LEU 81 1HB LEU 81 -11.975 -1.281 9.214 617 HB3 LEU 81 2HB LEU 81 -11.388 0.259 9.721 618 HG LEU 81 HG LEU 81 -14.362 -0.483 9.651 619 HD11 LEU 81 1HD1 LEU 81 -13.226 -2.003 11.141 620 HD12 LEU 81 2HD1 LEU 81 -12.420 -0.637 11.988 621 HD13 LEU 81 3HD1 LEU 81 -14.180 -0.862 12.061 622 HD21 LEU 81 3HD2 LEU 81 -12.941 1.760 11.162 623 HD22 LEU 81 1HD2 LEU 81 -14.035 1.959 9.768 624 HD23 LEU 81 2HD2 LEU 81 -14.641 1.328 11.288 625 H HIS 82 H HIS 82 -10.591 1.703 8.610 626 HA HIS 82 HA HIS 82 -11.529 4.175 7.286 627 HB2 HIS 82 1HB HIS 82 -11.306 5.506 9.223 628 HB3 HIS 82 2HB HIS 82 -12.365 4.178 9.647 629 HD1 HIS 82 1HD HIS 82 -9.532 6.005 11.002 630 HD2 HIS 82 2HD HIS 82 -10.796 1.979 10.929 631 HE1 HIS 82 1HE HIS 82 -8.359 4.857 12.937 632 H LYS 83 H LYS 83 -9.264 2.021 7.152 633 HA LYS 83 HA LYS 83 -6.997 3.928 7.024 634 HB2 LYS 83 1HB LYS 83 -7.189 1.111 8.208 635 HB3 LYS 83 2HB LYS 83 -5.651 1.864 7.736 636 HG2 LYS 83 1HG LYS 83 -6.404 3.850 9.218 637 HG3 LYS 83 2HG LYS 83 -7.613 2.758 9.899 638 HD2 LYS 83 1HD LYS 83 -4.695 1.939 9.682 639 HD3 LYS 83 2HD LYS 83 -5.233 2.960 10.983 640 HE2 LYS 83 1HE LYS 83 -7.067 1.236 11.466 641 HE3 LYS 83 2HE LYS 83 -6.116 0.123 10.480 642 HZ1 LYS 83 3HZ LYS 83 -5.085 1.593 12.839 643 HZ2 LYS 83 1HZ LYS 83 -5.543 0.023 12.877 644 HZ3 LYS 83 2HZ LYS 83 -4.256 0.475 11.972 645 HA PRO 84 HA PRO 84 -6.481 2.185 2.968 646 HB2 PRO 84 1HB PRO 84 -3.885 2.758 2.428 647 HB3 PRO 84 2HB PRO 84 -5.090 4.051 2.726 648 HG2 PRO 84 1HG PRO 84 -3.144 2.852 4.701 649 HG3 PRO 84 2HG PRO 84 -3.390 4.573 4.378 650 HD2 PRO 84 1HD PRO 84 -4.544 3.195 6.428 651 HD3 PRO 84 2HD PRO 84 -5.378 4.551 5.647 652 H ILE 85 H ILE 85 -5.422 0.510 1.708 653 HA ILE 85 HA ILE 85 -3.950 -1.534 3.242 654 HB ILE 85 HB ILE 85 -5.301 -3.361 2.670 655 HG12 ILE 85 1HG1 ILE 85 -7.621 -2.578 1.322 656 HG13 ILE 85 2HG1 ILE 85 -6.437 -1.577 0.542 657 HG21 ILE 85 1HG2 ILE 85 -7.400 -2.968 3.632 658 HG22 ILE 85 2HG2 ILE 85 -6.067 -2.205 4.517 659 HG23 ILE 85 3HG2 ILE 85 -7.139 -1.209 3.503 660 HD11 ILE 85 3HD1 ILE 85 -5.117 -3.618 -0.063 661 HD12 ILE 85 1HD1 ILE 85 -6.263 -4.619 0.851 662 HD13 ILE 85 2HD1 ILE 85 -6.783 -3.785 -0.608 663 H VAL 86 H VAL 86 -2.785 -3.015 1.885 664 HA VAL 86 HA VAL 86 -2.759 -2.496 -1.014 665 HB VAL 86 HB VAL 86 -0.411 -2.645 -1.185 666 HG11 VAL 86 1HG1 VAL 86 -1.346 -0.439 -0.788 667 HG12 VAL 86 2HG1 VAL 86 -1.054 -0.580 0.968 668 HG13 VAL 86 3HG1 VAL 86 0.294 -0.543 -0.158 669 HG21 VAL 86 3HG2 VAL 86 0.196 -4.154 0.631 670 HG22 VAL 86 1HG2 VAL 86 1.116 -2.652 0.785 671 HG23 VAL 86 2HG2 VAL 86 -0.296 -2.935 1.822 672 H TRP 87 H TRP 87 -1.159 -4.419 -1.863 673 HA TRP 87 HA TRP 87 -2.204 -6.950 -0.718 674 HB2 TRP 87 1HB TRP 87 -1.275 -6.408 -3.557 675 HB3 TRP 87 2HB TRP 87 -2.075 -7.856 -2.938 676 HD1 TRP 87 HD TRP 87 -2.737 -4.631 -4.570 677 HE1 TRP 87 1HE TRP 87 -5.267 -4.139 -4.749 678 HE3 TRP 87 3HE TRP 87 -4.429 -8.026 -1.158 679 HZ2 TRP 87 2HZ TRP 87 -7.698 -5.112 -3.547 680 HZ3 TRP 87 3HZ TRP 87 -6.798 -8.195 -0.652 681 HH2 TRP 87 HH TRP 87 -8.485 -6.758 -1.841 682 H HIS 88 H HIS 88 -0.580 -8.126 0.225 683 HA HIS 88 HA HIS 88 2.215 -7.782 -0.800 684 HB2 HIS 88 1HB HIS 88 3.091 -8.411 1.286 685 HB3 HIS 88 2HB HIS 88 1.951 -7.123 1.583 686 HD1 HIS 88 1HD HIS 88 2.441 -10.883 2.352 687 HD2 HIS 88 2HD HIS 88 -0.297 -7.752 3.017 688 HE1 HIS 88 1HE HIS 88 1.037 -11.584 4.291 689 H ILE 89 H ILE 89 3.464 -9.725 -0.934 690 HA ILE 89 HA ILE 89 2.052 -12.311 -0.720 691 HB ILE 89 HB ILE 89 3.853 -11.437 -3.042 692 HG12 ILE 89 1HG1 ILE 89 0.965 -12.422 -3.180 693 HG13 ILE 89 2HG1 ILE 89 1.424 -10.731 -3.267 694 HG21 ILE 89 1HG2 ILE 89 4.129 -13.831 -2.110 695 HG22 ILE 89 2HG2 ILE 89 2.500 -14.150 -2.695 696 HG23 ILE 89 3HG2 ILE 89 3.801 -13.694 -3.833 697 HD11 ILE 89 3HD1 ILE 89 2.750 -11.194 -5.316 698 HD12 ILE 89 1HD1 ILE 89 2.206 -12.886 -5.265 699 HD13 ILE 89 2HD1 ILE 89 1.029 -11.585 -5.492 700 H ASN 90 H ASN 90 3.303 -13.415 0.780 701 HA ASN 90 HA ASN 90 4.999 -13.943 2.151 702 HB2 ASN 90 1HB ASN 90 6.991 -14.785 1.084 703 HB3 ASN 90 2HB ASN 90 5.540 -15.253 0.230 704 HD21 ASN 90 1HD2 ASN 90 8.000 -12.648 0.132 705 HD22 ASN 90 2HD2 ASN 90 8.224 -12.691 -1.620 706 H GLN 91 H GLN 91 4.452 -11.360 2.469 707 HA GLN 91 HA GLN 91 5.086 -9.365 3.288 708 HB2 GLN 91 1HB GLN 91 7.705 -10.720 3.973 709 HB3 GLN 91 2HB GLN 91 7.081 -9.243 4.682 710 HG2 GLN 91 1HG GLN 91 5.171 -10.435 5.654 711 HG3 GLN 91 2HG GLN 91 5.749 -11.961 4.973 712 HE21 GLN 91 1HE2 GLN 91 8.456 -12.080 5.463 713 HE22 GLN 91 2HE2 GLN 91 8.701 -11.925 7.216 714 H ALA 92 H ALA 92 5.828 -9.951 0.353 715 HA ALA 92 HA ALA 92 7.943 -7.911 -0.003 716 HB1 ALA 92 1HB ALA 92 8.733 -10.330 -0.345 717 HB2 ALA 92 2HB ALA 92 7.542 -10.423 -1.682 718 HB3 ALA 92 3HB ALA 92 8.885 -9.278 -1.759 719 H THR 93 H THR 93 7.932 -7.348 -2.401 720 HA THR 93 HA THR 93 5.253 -7.405 -3.571 721 HB THR 93 HB THR 93 5.610 -5.136 -2.787 722 HG1 THR 93 1HG THR 93 5.569 -4.243 -5.091 723 HG21 THR 93 3HG2 THR 93 7.280 -3.624 -3.632 724 HG22 THR 93 1HG2 THR 93 8.128 -4.977 -2.891 725 HG23 THR 93 2HG2 THR 93 8.006 -4.876 -4.653 726 H THR 94 H THR 94 5.569 -7.003 -6.041 727 HA THR 94 HA THR 94 7.682 -8.194 -7.466 728 HB THR 94 HB THR 94 7.400 -10.286 -6.605 729 HG1 THR 94 1HG THR 94 5.718 -11.399 -7.950 730 HG21 THR 94 3HG2 THR 94 5.744 -10.002 -4.938 731 HG22 THR 94 1HG2 THR 94 4.470 -9.704 -6.155 732 HG23 THR 94 2HG2 THR 94 5.204 -11.326 -5.946 733 H LYS 95 H LYS 95 6.701 -8.584 -9.791 734 HA LYS 95 HA LYS 95 5.382 -6.359 -10.690 735 HB2 LYS 95 1HB LYS 95 6.606 -8.042 -12.056 736 HB3 LYS 95 2HB LYS 95 5.204 -9.116 -11.938 737 HG2 LYS 95 1HG LYS 95 3.806 -7.415 -13.121 738 HG3 LYS 95 2HG LYS 95 5.183 -6.308 -13.141 739 HD2 LYS 95 1HD LYS 95 5.115 -7.307 -15.312 740 HD3 LYS 95 2HD LYS 95 6.457 -8.092 -14.457 741 HE2 LYS 95 1HE LYS 95 4.765 -9.919 -13.793 742 HE3 LYS 95 2HE LYS 95 3.647 -9.171 -14.940 743 HZ1 LYS 95 3HZ LYS 95 5.378 -9.551 -16.644 744 HZ2 LYS 95 1HZ LYS 95 6.280 -10.384 -15.547 745 HZ3 LYS 95 2HZ LYS 95 4.791 -10.936 -15.986 746 H THR 96 H THR 96 3.892 -9.407 -9.686 747 HA THR 96 HA THR 96 1.232 -9.077 -10.299 748 HB THR 96 HB THR 96 2.483 -10.229 -7.764 749 HG1 THR 96 1HG THR 96 1.885 -11.650 -10.131 750 HG21 THR 96 3HG2 THR 96 0.564 -11.839 -7.900 751 HG22 THR 96 1HG2 THR 96 0.071 -10.170 -7.567 752 HG23 THR 96 2HG2 THR 96 -0.137 -10.839 -9.198 753 H THR 97 H THR 97 2.840 -7.923 -7.204 754 HA THR 97 HA THR 97 0.372 -6.542 -6.465 755 HB THR 97 HB THR 97 1.787 -6.190 -4.337 756 HG1 THR 97 1HG THR 97 3.833 -6.450 -4.978 757 HG21 THR 97 3HG2 THR 97 1.577 -8.475 -3.557 758 HG22 THR 97 1HG2 THR 97 0.163 -8.076 -4.543 759 HG23 THR 97 2HG2 THR 97 1.454 -9.090 -5.222 760 H PHE 98 H PHE 98 3.333 -5.782 -7.998 761 HA PHE 98 HA PHE 98 3.914 -3.232 -6.983 762 HB2 PHE 98 1HB PHE 98 5.653 -3.935 -8.249 763 HB3 PHE 98 2HB PHE 98 4.645 -4.910 -9.283 764 HD1 PHE 98 1HD PHE 98 5.675 -1.358 -8.752 765 HD2 PHE 98 2HD PHE 98 4.158 -4.314 -11.487 766 HE1 PHE 98 1HE PHE 98 5.934 0.245 -10.632 767 HE2 PHE 98 2HE PHE 98 4.468 -2.730 -13.364 768 HZ PHE 98 HZ PHE 98 5.355 -0.447 -12.940 769 H LYS 99 H LYS 99 2.141 -4.025 -9.994 770 HA LYS 99 HA LYS 99 1.353 -1.351 -10.506 771 HB2 LYS 99 1HB LYS 99 0.245 -4.019 -11.368 772 HB3 LYS 99 2HB LYS 99 -0.637 -2.527 -11.754 773 HG2 LYS 99 1HG LYS 99 1.869 -1.765 -12.539 774 HG3 LYS 99 2HG LYS 99 1.969 -3.505 -12.838 775 HD2 LYS 99 1HD LYS 99 -0.139 -3.292 -14.234 776 HD3 LYS 99 2HD LYS 99 -0.145 -1.554 -13.896 777 HE2 LYS 99 1HE LYS 99 0.847 -1.887 -16.059 778 HE3 LYS 99 2HE LYS 99 2.102 -1.335 -14.946 779 HZ1 LYS 99 3HZ LYS 99 1.674 -4.185 -15.598 780 HZ2 LYS 99 1HZ LYS 99 2.699 -3.191 -16.448 781 HZ3 LYS 99 2HZ LYS 99 2.989 -3.516 -14.875 782 HA PRO 100 HA PRO 100 -2.707 -1.895 -8.287 783 HB2 PRO 100 1HB PRO 100 -3.230 -3.830 -6.468 784 HB3 PRO 100 2HB PRO 100 -3.488 -4.070 -8.215 785 HG2 PRO 100 1HG PRO 100 -1.091 -4.902 -6.589 786 HG3 PRO 100 2HG PRO 100 -2.032 -5.895 -7.740 787 HD2 PRO 100 1HD PRO 100 0.257 -4.689 -8.535 788 HD3 PRO 100 2HD PRO 100 -1.153 -4.752 -9.617 789 H ASN 101 H ASN 101 0.463 -2.336 -6.651 790 HA ASN 101 HA ASN 101 -0.427 -0.971 -4.263 791 HB2 ASN 101 1HB ASN 101 2.169 -1.968 -5.384 792 HB3 ASN 101 2HB ASN 101 2.225 -0.524 -4.427 793 HD21 ASN 101 1HD2 ASN 101 1.336 -3.926 -4.346 794 HD22 ASN 101 2HD2 ASN 101 1.355 -4.085 -2.588 795 H THR 102 H THR 102 0.735 0.040 -7.550 796 HA THR 102 HA THR 102 1.410 2.653 -6.831 797 HB THR 102 HB THR 102 1.361 3.296 -8.988 798 HG1 THR 102 1HG THR 102 -0.364 3.053 -10.005 799 HG21 THR 102 3HG2 THR 102 1.859 0.347 -9.158 800 HG22 THR 102 1HG2 THR 102 2.167 1.482 -10.473 801 HG23 THR 102 2HG2 THR 102 3.025 1.688 -8.956 802 H TRP 103 H TRP 103 -1.811 1.406 -7.627 803 HA TRP 103 HA TRP 103 -3.236 3.845 -7.421 804 HB2 TRP 103 1HB TRP 103 -4.074 0.976 -6.883 805 HB3 TRP 103 2HB TRP 103 -5.191 2.319 -7.012 806 HD1 TRP 103 HD TRP 103 -2.936 0.108 -9.159 807 HE1 TRP 103 1HE TRP 103 -3.605 0.328 -11.620 808 HE3 TRP 103 3HE TRP 103 -6.163 4.047 -8.742 809 HZ2 TRP 103 2HZ TRP 103 -5.556 1.810 -13.152 810 HZ3 TRP 103 3HZ TRP 103 -7.335 4.919 -10.745 811 HH2 TRP 103 HH TRP 103 -7.071 3.794 -12.938 812 H CYS 104 H CYS 104 -2.078 1.711 -4.798 813 HA CYS 104 HA CYS 104 -3.656 3.096 -2.756 814 HB2 CYS 104 1HB CYS 104 -2.792 0.746 -2.447 815 HB3 CYS 104 2HB CYS 104 -1.138 1.416 -2.407 816 HG CYS 104 HG CYS 104 -1.098 1.910 -0.126 817 H LEU 105 H LEU 105 -0.394 3.310 -4.240 818 HA LEU 105 HA LEU 105 0.676 5.236 -2.364 819 HB2 LEU 105 1HB LEU 105 1.392 4.456 -5.235 820 HB3 LEU 105 2HB LEU 105 2.305 5.623 -4.345 821 HG LEU 105 HG LEU 105 1.875 2.773 -3.372 822 HD11 LEU 105 1HD1 LEU 105 3.037 2.739 -5.499 823 HD12 LEU 105 2HD1 LEU 105 4.238 3.903 -4.913 824 HD13 LEU 105 3HD1 LEU 105 4.135 2.287 -4.190 825 HD21 LEU 105 3HD2 LEU 105 3.721 3.136 -1.886 826 HD22 LEU 105 1HD2 LEU 105 4.072 4.727 -2.588 827 HD23 LEU 105 2HD2 LEU 105 2.616 4.505 -1.632 828 H ARG 106 H ARG 106 -1.173 5.487 -5.425 829 HA ARG 106 HA ARG 106 -1.194 8.354 -5.479 830 HB2 ARG 106 1HB ARG 106 -3.299 6.386 -6.492 831 HB3 ARG 106 2HB ARG 106 -3.257 8.127 -6.834 832 HG2 ARG 106 1HG ARG 106 -0.926 7.768 -7.763 833 HG3 ARG 106 2HG ARG 106 -1.230 6.057 -7.700 834 HD2 ARG 106 1HD ARG 106 -2.382 6.167 -9.660 835 HD3 ARG 106 2HD ARG 106 -3.518 7.320 -8.972 836 HE ARG 106 HE ARG 106 -1.598 9.012 -9.435 837 HH11 ARG 106 2HH2 ARG 106 -2.642 6.446 -11.698 838 HH12 ARG 106 1HH2 ARG 106 -1.774 7.147 -13.025 839 HH21 ARG 106 2HH1 ARG 106 -0.676 10.032 -11.303 840 HH22 ARG 106 1HH1 ARG 106 -0.851 9.274 -12.827 841 H CYS 107 H CYS 107 -3.167 6.102 -3.577 842 HA CYS 107 HA CYS 107 -5.075 8.146 -2.759 843 HB2 CYS 107 1HB CYS 107 -5.603 5.745 -2.930 844 HB3 CYS 107 2HB CYS 107 -4.425 5.370 -1.686 845 HG CYS 107 HG CYS 107 -5.591 6.707 0.240 846 H LEU 108 H LEU 108 -1.882 7.030 -1.617 847 HA LEU 108 HA LEU 108 -2.096 8.385 0.949 848 HB2 LEU 108 1HB LEU 108 0.251 7.326 -0.657 849 HB3 LEU 108 2HB LEU 108 0.387 7.997 0.962 850 HG LEU 108 HG LEU 108 -1.065 5.454 0.200 851 HD11 LEU 108 1HD1 LEU 108 1.467 5.997 1.784 852 HD12 LEU 108 2HD1 LEU 108 0.727 4.404 1.491 853 HD13 LEU 108 3HD1 LEU 108 1.372 5.353 0.135 854 HD21 LEU 108 3HD2 LEU 108 -1.371 5.078 2.605 855 HD22 LEU 108 1HD2 LEU 108 -0.704 6.697 2.964 856 HD23 LEU 108 2HD2 LEU 108 -2.230 6.515 2.085 857 H TRP 109 H TRP 109 -1.490 9.549 -2.317 858 HA TRP 109 HA TRP 109 0.402 11.583 -1.746 859 HB2 TRP 109 1HB TRP 109 -1.715 11.245 -3.907 860 HB3 TRP 109 2HB TRP 109 -0.580 12.499 -3.870 861 HD1 TRP 109 HD TRP 109 1.591 9.849 -2.933 862 HE1 TRP 109 1HE TRP 109 2.774 8.788 -4.977 863 HE3 TRP 109 3HE TRP 109 -1.564 11.466 -6.578 864 HZ2 TRP 109 2HZ TRP 109 2.376 8.690 -7.838 865 HZ3 TRP 109 3HZ TRP 109 -1.224 10.830 -8.920 866 HH2 TRP 109 HH TRP 109 0.793 9.438 -9.580 867 H SER 110 H SER 110 -0.013 13.870 -1.614 868 HA SER 110 HA SER 110 -2.310 14.398 0.198 869 HB2 SER 110 1HB SER 110 0.123 14.548 1.001 870 HB3 SER 110 2HB SER 110 0.304 15.937 -0.091 871 HG SER 110 HG SER 110 -0.275 16.447 2.114 872 H THR 111 H THR 111 -3.385 16.579 -0.084 873 HA THR 111 HA THR 111 -3.642 17.187 -2.920 874 HB THR 111 HB THR 111 -5.571 18.541 -2.014 875 HG1 THR 111 1HG THR 111 -4.802 18.948 0.054 876 HG21 THR 111 3HG2 THR 111 -6.866 16.583 -1.410 877 HG22 THR 111 1HG2 THR 111 -5.759 16.186 -2.756 878 HG23 THR 111 2HG2 THR 111 -5.402 15.630 -1.112 879 H LYS 112 H LYS 112 -1.480 17.973 -3.252 880 HA LYS 112 HA LYS 112 -1.031 20.769 -2.441 881 HB2 LYS 112 1HB LYS 112 0.309 19.572 -0.945 882 HB3 LYS 112 2HB LYS 112 0.837 18.423 -2.187 883 HG2 LYS 112 1HG LYS 112 2.703 19.759 -1.984 884 HG3 LYS 112 2HG LYS 112 1.913 20.488 -3.349 885 HD2 LYS 112 1HD LYS 112 2.674 22.265 -2.086 886 HD3 LYS 112 2HD LYS 112 0.943 22.205 -1.702 887 HE2 LYS 112 1HE LYS 112 1.344 21.280 0.452 888 HE3 LYS 112 2HE LYS 112 2.950 20.680 -0.009 889 HZ1 LYS 112 3HZ LYS 112 3.804 22.852 0.034 890 HZ2 LYS 112 1HZ LYS 112 2.322 23.546 0.248 891 HZ3 LYS 112 2HZ LYS 112 3.007 22.631 1.452 892 HA PRO 113 HA PRO 113 -0.683 20.307 -6.972 893 HB2 PRO 113 1HB PRO 113 -1.096 22.963 -7.591 894 HB3 PRO 113 2HB PRO 113 -2.402 21.791 -7.265 895 HG2 PRO 113 1HG PRO 113 -1.215 23.816 -5.393 896 HG3 PRO 113 2HG PRO 113 -2.941 23.369 -5.597 897 HD2 PRO 113 1HD PRO 113 -1.328 22.416 -3.565 898 HD3 PRO 113 2HD PRO 113 -2.705 21.506 -4.251 899 H VAL 114 H VAL 114 1.308 20.251 -7.873 900 HA VAL 114 HA VAL 114 3.169 22.484 -7.534 901 HB VAL 114 HB VAL 114 4.378 19.726 -7.151 902 HG11 VAL 114 1HG1 VAL 114 5.822 21.664 -7.773 903 HG12 VAL 114 2HG1 VAL 114 5.257 22.531 -6.326 904 HG13 VAL 114 3HG1 VAL 114 6.202 21.037 -6.166 905 HG21 VAL 114 3HG2 VAL 114 4.476 20.035 -4.767 906 HG22 VAL 114 1HG2 VAL 114 3.392 21.447 -4.908 907 HG23 VAL 114 2HG2 VAL 114 2.836 19.806 -5.383 908 H ASP 115 H ASP 115 2.108 22.624 -9.670 909 HA ASP 115 HA ASP 115 2.808 20.558 -11.566 910 HB2 ASP 115 1HB ASP 115 1.397 23.253 -11.849 911 HB3 ASP 115 2HB ASP 115 1.806 22.278 -13.265 912 H THR 116 H THR 116 5.101 21.305 -10.479 913 HA THR 116 HA THR 116 7.124 22.316 -10.520 914 HB THR 116 HB THR 116 6.803 21.904 -13.515 915 HG1 THR 116 1HG THR 116 7.386 20.278 -11.307 916 HG21 THR 116 3HG2 THR 116 9.214 21.482 -13.530 917 HG22 THR 116 1HG2 THR 116 8.870 23.144 -13.063 918 HG23 THR 116 2HG2 THR 116 9.338 21.960 -11.821 Start of MODEL 11 1 H1 MET 1 H MET 1 -13.934 -23.014 -4.770 2 HA MET 1 HA MET 1 -14.398 -20.549 -6.332 3 HB2 MET 1 1HB MET 1 -16.507 -22.224 -4.893 4 HB3 MET 1 2HB MET 1 -16.767 -20.761 -5.830 5 HG2 MET 1 1HG MET 1 -17.410 -22.420 -7.301 6 HG3 MET 1 2HG MET 1 -15.779 -22.030 -7.827 7 HE1 MET 1 3HE MET 1 -17.610 -24.386 -5.150 8 HE2 MET 1 1HE MET 1 -18.283 -24.674 -6.770 9 HE3 MET 1 2HE MET 1 -17.343 -25.946 -5.960 10 H TYR 2 H TYR 2 -14.679 -18.634 -5.093 11 HA TYR 2 HA TYR 2 -14.655 -18.909 -2.130 12 HB2 TYR 2 1HB TYR 2 -12.436 -18.374 -2.648 13 HB3 TYR 2 2HB TYR 2 -12.892 -17.283 -3.948 14 HD1 TYR 2 1HD TYR 2 -13.937 -17.412 -0.261 15 HD2 TYR 2 2HD TYR 2 -12.095 -15.178 -3.483 16 HE1 TYR 2 1HE TYR 2 -13.678 -15.453 1.218 17 HE2 TYR 2 2HE TYR 2 -11.894 -13.212 -2.008 18 HH TYR 2 HH TYR 2 -13.035 -13.274 1.400 19 H THR 3 H THR 3 -16.538 -18.182 -1.490 20 HA THR 3 HA THR 3 -17.618 -15.588 -2.355 21 HB THR 3 HB THR 3 -18.884 -18.346 -2.375 22 HG1 THR 3 1HG THR 3 -18.941 -16.093 -4.110 23 HG21 THR 3 3HG2 THR 3 -21.070 -17.367 -2.870 24 HG22 THR 3 1HG2 THR 3 -20.590 -17.101 -1.206 25 HG23 THR 3 2HG2 THR 3 -20.479 -15.761 -2.366 26 H GLU 4 H GLU 4 -16.106 -16.989 -0.004 27 HA GLU 4 HA GLU 4 -17.763 -16.341 2.315 28 HB2 GLU 4 1HB GLU 4 -14.989 -17.360 1.845 29 HB3 GLU 4 2HB GLU 4 -15.194 -16.315 3.234 30 HG2 GLU 4 1HG GLU 4 -15.432 -18.737 3.745 31 HG3 GLU 4 2HG GLU 4 -16.784 -17.707 4.246 32 H GLN 5 H GLN 5 -17.185 -14.429 3.690 33 HA GLN 5 HA GLN 5 -17.058 -12.141 1.980 34 HB2 GLN 5 1HB GLN 5 -18.426 -12.609 4.158 35 HB3 GLN 5 2HB GLN 5 -16.954 -12.175 5.022 36 HG2 GLN 5 1HG GLN 5 -18.506 -10.344 4.972 37 HG3 GLN 5 2HG GLN 5 -17.094 -9.892 4.044 38 HE21 GLN 5 1HE2 GLN 5 -19.234 -8.274 3.528 39 HE22 GLN 5 2HE2 GLN 5 -20.088 -8.819 2.090 40 HA PRO 6 HA PRO 6 -12.630 -11.211 2.801 41 HB2 PRO 6 1HB PRO 6 -12.552 -8.570 2.240 42 HB3 PRO 6 2HB PRO 6 -12.885 -9.733 0.925 43 HG2 PRO 6 1HG PRO 6 -14.933 -8.186 2.542 44 HG3 PRO 6 2HG PRO 6 -14.748 -8.234 0.758 45 HD2 PRO 6 1HD PRO 6 -16.473 -9.904 1.986 46 HD3 PRO 6 2HD PRO 6 -15.452 -10.525 0.678 47 H ILE 7 H ILE 7 -11.281 -9.828 3.979 48 HA ILE 7 HA ILE 7 -12.405 -9.328 6.586 49 HB ILE 7 HB ILE 7 -9.628 -8.667 5.522 50 HG12 ILE 7 1HG1 ILE 7 -10.543 -11.010 7.256 51 HG13 ILE 7 2HG1 ILE 7 -10.061 -11.106 5.569 52 HG21 ILE 7 1HG2 ILE 7 -10.504 -7.330 7.584 53 HG22 ILE 7 2HG2 ILE 7 -10.420 -8.868 8.452 54 HG23 ILE 7 3HG2 ILE 7 -8.959 -8.155 7.740 55 HD11 ILE 7 3HD1 ILE 7 -7.768 -10.274 6.201 56 HD12 ILE 7 1HD1 ILE 7 -8.260 -10.383 7.909 57 HD13 ILE 7 2HD1 ILE 7 -8.200 -11.839 6.927 58 H ASP 8 H ASP 8 -14.074 -8.017 5.966 59 HA ASP 8 HA ASP 8 -15.159 -6.036 5.669 60 HB2 ASP 8 1HB ASP 8 -12.660 -5.280 7.227 61 HB3 ASP 8 2HB ASP 8 -14.004 -4.191 7.011 62 H LEU 9 H LEU 9 -13.198 -6.664 3.531 63 HA LEU 9 HA LEU 9 -11.879 -4.208 2.875 64 HB2 LEU 9 1HB LEU 9 -11.303 -6.854 2.593 65 HB3 LEU 9 2HB LEU 9 -11.835 -6.507 0.945 66 HG LEU 9 HG LEU 9 -9.620 -5.093 2.531 67 HD11 LEU 9 1HD1 LEU 9 -8.129 -6.255 0.949 68 HD12 LEU 9 2HD1 LEU 9 -9.120 -7.420 1.865 69 HD13 LEU 9 3HD1 LEU 9 -9.543 -7.010 0.180 70 HD21 LEU 9 3HD2 LEU 9 -10.311 -4.862 -0.429 71 HD22 LEU 9 1HD2 LEU 9 -10.544 -3.597 0.778 72 HD23 LEU 9 2HD2 LEU 9 -8.918 -4.128 0.403 73 H VAL 10 H VAL 10 -12.183 -2.927 1.128 74 HA VAL 10 HA VAL 10 -14.555 -3.311 -0.581 75 HB VAL 10 HB VAL 10 -15.027 -0.724 0.157 76 HG11 VAL 10 1HG1 VAL 10 -16.994 -1.642 1.361 77 HG12 VAL 10 2HG1 VAL 10 -16.733 -2.414 -0.206 78 HG13 VAL 10 3HG1 VAL 10 -16.272 -3.254 1.300 79 HG21 VAL 10 3HG2 VAL 10 -15.170 -0.548 2.528 80 HG22 VAL 10 1HG2 VAL 10 -14.605 -2.208 2.761 81 HG23 VAL 10 2HG2 VAL 10 -13.488 -0.980 2.147 82 HA PRO 11 HA PRO 11 -11.522 -1.384 -3.227 83 HB2 PRO 11 1HB PRO 11 -12.947 -1.333 -5.556 84 HB3 PRO 11 2HB PRO 11 -12.134 -2.738 -4.864 85 HG2 PRO 11 1HG PRO 11 -15.058 -2.272 -4.964 86 HG3 PRO 11 2HG PRO 11 -14.132 -3.773 -4.836 87 HD2 PRO 11 1HD PRO 11 -15.364 -2.313 -2.634 88 HD3 PRO 11 2HD PRO 11 -14.355 -3.785 -2.587 89 H THR 12 H THR 12 -11.041 0.744 -3.169 90 HA THR 12 HA THR 12 -13.155 2.765 -3.582 91 HB THR 12 HB THR 12 -12.615 2.643 -1.148 92 HG1 THR 12 1HG THR 12 -12.574 4.769 -0.968 93 HG21 THR 12 3HG2 THR 12 -9.833 3.580 -1.953 94 HG22 THR 12 1HG2 THR 12 -10.488 3.457 -0.314 95 HG23 THR 12 2HG2 THR 12 -10.240 1.991 -1.260 96 H GLN 13 H GLN 13 -11.471 4.951 -3.766 97 HA GLN 13 HA GLN 13 -9.661 4.396 -6.033 98 HB2 GLN 13 1HB GLN 13 -11.042 6.032 -7.464 99 HB3 GLN 13 2HB GLN 13 -11.713 4.420 -7.252 100 HG2 GLN 13 1HG GLN 13 -13.428 5.188 -5.852 101 HG3 GLN 13 2HG GLN 13 -12.530 6.621 -5.365 102 HE21 GLN 13 1HE2 GLN 13 -13.472 8.418 -6.046 103 HE22 GLN 13 2HE2 GLN 13 -14.316 8.680 -7.549 104 HA PRO 14 HA PRO 14 -7.677 8.030 -4.378 105 HB2 PRO 14 1HB PRO 14 -6.367 9.087 -6.498 106 HB3 PRO 14 2HB PRO 14 -5.937 7.489 -5.859 107 HG2 PRO 14 1HG PRO 14 -7.682 8.158 -8.237 108 HG3 PRO 14 2HG PRO 14 -6.378 6.937 -8.122 109 HD2 PRO 14 1HD PRO 14 -9.045 6.372 -7.865 110 HD3 PRO 14 2HD PRO 14 -7.801 5.411 -7.043 111 H LEU 15 H LEU 15 -7.449 10.426 -4.881 112 HA LEU 15 HA LEU 15 -9.688 11.488 -6.560 113 HB2 LEU 15 1HB LEU 15 -10.085 13.291 -5.241 114 HB3 LEU 15 2HB LEU 15 -10.030 11.971 -4.121 115 HG LEU 15 HG LEU 15 -7.378 13.159 -4.342 116 HD11 LEU 15 1HD1 LEU 15 -8.855 15.138 -5.063 117 HD12 LEU 15 2HD1 LEU 15 -9.626 15.057 -3.475 118 HD13 LEU 15 3HD1 LEU 15 -7.892 15.423 -3.589 119 HD21 LEU 15 3HD2 LEU 15 -8.200 11.845 -2.418 120 HD22 LEU 15 1HD2 LEU 15 -7.616 13.445 -1.935 121 HD23 LEU 15 2HD2 LEU 15 -9.363 13.118 -2.032 122 HA PRO 16 HA PRO 16 -6.419 13.304 -8.914 123 HB2 PRO 16 1HB PRO 16 -7.654 15.544 -9.957 124 HB3 PRO 16 2HB PRO 16 -8.039 13.886 -10.486 125 HG2 PRO 16 1HG PRO 16 -9.664 15.702 -8.818 126 HG3 PRO 16 2HG PRO 16 -10.169 14.283 -9.793 127 HD2 PRO 16 1HD PRO 16 -9.637 14.447 -6.966 128 HD3 PRO 16 2HD PRO 16 -10.228 13.056 -7.859 129 H ASN 17 H ASN 17 -5.369 15.677 -9.129 130 HA ASN 17 HA ASN 17 -4.350 17.463 -8.254 131 HB2 ASN 17 1HB ASN 17 -5.847 17.509 -5.664 132 HB3 ASN 17 2HB ASN 17 -5.166 18.823 -6.590 133 HD21 ASN 17 1HD2 ASN 17 -7.965 16.875 -6.008 134 HD22 ASN 17 2HD2 ASN 17 -9.041 18.089 -6.723 135 H ALA 18 H ALA 18 -5.056 14.847 -5.937 136 HA ALA 18 HA ALA 18 -2.872 15.116 -4.242 137 HB1 ALA 18 1HB ALA 18 -4.722 13.467 -3.987 138 HB2 ALA 18 2HB ALA 18 -4.051 12.543 -5.361 139 HB3 ALA 18 3HB ALA 18 -3.132 12.710 -3.851 140 H SER 19 H SER 19 -0.584 14.485 -4.389 141 HA SER 19 HA SER 19 0.358 13.137 -6.758 142 HB2 SER 19 1HB SER 19 0.320 15.445 -7.546 143 HB3 SER 19 2HB SER 19 1.100 15.998 -6.063 144 HG SER 19 HG SER 19 2.722 15.846 -7.394 145 H PHE 20 H PHE 20 2.566 12.571 -6.351 146 HA PHE 20 HA PHE 20 3.100 11.974 -3.574 147 HB2 PHE 20 1HB PHE 20 3.825 10.426 -5.491 148 HB3 PHE 20 2HB PHE 20 4.878 11.678 -6.071 149 HD1 PHE 20 1HD PHE 20 4.185 9.762 -2.897 150 HD2 PHE 20 2HD PHE 20 7.149 11.685 -5.388 151 HE1 PHE 20 1HE PHE 20 5.949 9.241 -1.230 152 HE2 PHE 20 2HE PHE 20 8.884 11.134 -3.745 153 HZ PHE 20 HZ PHE 20 8.258 10.006 -1.612 154 H ASP 21 H ASP 21 5.059 12.573 -2.516 155 HA ASP 21 HA ASP 21 6.500 14.876 -3.126 156 HB2 ASP 21 1HB ASP 21 5.397 15.808 -0.738 157 HB3 ASP 21 2HB ASP 21 5.032 16.438 -2.336 158 H ASN 22 H ASN 22 7.874 15.256 -1.096 159 HA ASN 22 HA ASN 22 9.324 13.138 -0.458 160 HB2 ASN 22 1HB ASN 22 9.097 15.824 0.893 161 HB3 ASN 22 2HB ASN 22 10.201 14.629 1.557 162 HD21 ASN 22 1HD2 ASN 22 11.779 13.488 -0.039 163 HD22 ASN 22 2HD2 ASN 22 12.513 14.628 -1.132 164 H PHE 23 H PHE 23 6.465 12.547 0.749 165 HA PHE 23 HA PHE 23 7.136 11.817 3.491 166 HB2 PHE 23 1HB PHE 23 5.149 10.564 3.569 167 HB3 PHE 23 2HB PHE 23 4.781 12.094 2.814 168 HD1 PHE 23 2HD PHE 23 5.081 8.409 2.366 169 HD2 PHE 23 1HD PHE 23 3.920 12.134 0.507 170 HE1 PHE 23 2HE PHE 23 3.799 7.160 0.667 171 HE2 PHE 23 1HE PHE 23 2.622 10.907 -1.157 172 HZ PHE 23 HZ PHE 23 2.530 8.377 -1.081 173 H LYS 24 H LYS 24 8.251 10.018 4.140 174 HA LYS 24 HA LYS 24 8.889 7.949 2.108 175 HB2 LYS 24 1HB LYS 24 10.761 8.781 3.409 176 HB3 LYS 24 2HB LYS 24 9.959 8.401 4.937 177 HG2 LYS 24 1HG LYS 24 10.069 6.032 4.333 178 HG3 LYS 24 2HG LYS 24 10.717 6.437 2.748 179 HD2 LYS 24 1HD LYS 24 12.764 7.399 4.026 180 HD3 LYS 24 2HD LYS 24 12.065 6.627 5.480 181 HE2 LYS 24 1HE LYS 24 11.786 4.479 4.192 182 HE3 LYS 24 2HE LYS 24 12.601 5.233 2.820 183 HZ1 LYS 24 3HZ LYS 24 14.060 3.816 4.112 184 HZ2 LYS 24 1HZ LYS 24 14.597 5.343 4.067 185 HZ3 LYS 24 2HZ LYS 24 13.884 4.779 5.443 186 H LEU 25 H LEU 25 8.317 5.827 2.676 187 HA LEU 25 HA LEU 25 6.623 5.485 5.086 188 HB2 LEU 25 1HB LEU 25 5.260 3.720 3.984 189 HB3 LEU 25 2HB LEU 25 4.936 5.377 3.513 190 HG LEU 25 HG LEU 25 6.208 5.036 1.407 191 HD11 LEU 25 1HD1 LEU 25 6.254 2.107 2.283 192 HD12 LEU 25 2HD1 LEU 25 6.568 2.674 0.620 193 HD13 LEU 25 3HD1 LEU 25 7.663 3.119 1.909 194 HD21 LEU 25 3HD2 LEU 25 3.735 4.797 1.544 195 HD22 LEU 25 1HD2 LEU 25 4.458 3.794 0.293 196 HD23 LEU 25 2HD2 LEU 25 3.945 3.054 1.830 197 H THR 26 H THR 26 6.749 3.251 5.970 198 HA THR 26 HA THR 26 9.194 1.802 5.184 199 HB THR 26 HB THR 26 9.951 1.788 7.483 200 HG1 THR 26 1HG THR 26 7.829 3.607 8.008 201 HG21 THR 26 3HG2 THR 26 10.843 3.598 6.056 202 HG22 THR 26 1HG2 THR 26 9.576 4.693 6.661 203 HG23 THR 26 2HG2 THR 26 10.789 4.041 7.771 204 H CYS 27 H CYS 27 9.142 -0.393 6.447 205 HA CYS 27 HA CYS 27 6.657 -1.113 7.620 206 HB2 CYS 27 1HB CYS 27 5.659 -2.438 5.990 207 HB3 CYS 27 2HB CYS 27 6.295 -1.232 5.002 208 HG CYS 27 HG CYS 27 8.572 -2.841 4.636 209 H SER 28 H SER 28 6.633 -3.421 8.165 210 HA SER 28 HA SER 28 8.840 -4.198 9.627 211 HB2 SER 28 1HB SER 28 6.827 -6.127 8.515 212 HB3 SER 28 2HB SER 28 7.619 -6.177 10.089 213 HG SER 28 HG SER 28 5.418 -5.426 10.177 214 H ASN 29 H ASN 29 8.260 -4.905 6.223 215 HA ASN 29 HA ASN 29 10.759 -6.545 6.148 216 HB2 ASN 29 1HB ASN 29 8.836 -7.682 5.107 217 HB3 ASN 29 2HB ASN 29 8.597 -6.306 4.010 218 HD21 ASN 29 1HD2 ASN 29 10.831 -8.804 4.995 219 HD22 ASN 29 2HD2 ASN 29 11.929 -8.731 3.656 220 H THR 30 H THR 30 12.527 -5.204 5.752 221 HA THR 30 HA THR 30 12.197 -2.574 4.911 222 HB THR 30 HB THR 30 14.733 -2.818 4.368 223 HG1 THR 30 1HG THR 30 15.538 -4.805 5.394 224 HG21 THR 30 3HG2 THR 30 13.828 -3.639 7.160 225 HG22 THR 30 1HG2 THR 30 15.238 -2.642 6.681 226 HG23 THR 30 2HG2 THR 30 13.624 -1.996 6.522 227 H LYS 31 H LYS 31 12.705 -5.452 2.835 228 HA LYS 31 HA LYS 31 13.349 -3.825 0.514 229 HB2 LYS 31 1HB LYS 31 14.105 -6.109 0.390 230 HB3 LYS 31 2HB LYS 31 12.517 -6.726 0.838 231 HG2 LYS 31 1HG LYS 31 12.851 -7.203 -1.478 232 HG3 LYS 31 2HG LYS 31 11.578 -6.026 -1.321 233 HD2 LYS 31 1HD LYS 31 12.716 -5.191 -3.109 234 HD3 LYS 31 2HD LYS 31 13.470 -4.249 -1.829 235 HE2 LYS 31 1HE LYS 31 15.430 -5.708 -1.845 236 HE3 LYS 31 2HE LYS 31 14.625 -6.860 -2.926 237 HZ1 LYS 31 3HZ LYS 31 15.161 -4.066 -3.708 238 HZ2 LYS 31 1HZ LYS 31 16.214 -5.292 -4.025 239 HZ3 LYS 31 2HZ LYS 31 14.688 -5.276 -4.687 240 H PHE 32 H PHE 32 10.317 -5.373 1.743 241 HA PHE 32 HA PHE 32 8.746 -4.690 -0.459 242 HB2 PHE 32 1HB PHE 32 7.998 -6.047 1.488 243 HB3 PHE 32 2HB PHE 32 7.948 -4.567 2.444 244 HD1 PHE 32 2HD PHE 32 6.701 -5.868 -0.808 245 HD2 PHE 32 1HD PHE 32 5.755 -3.493 2.633 246 HE1 PHE 32 2HE PHE 32 4.334 -5.738 -1.562 247 HE2 PHE 32 1HE PHE 32 3.432 -3.344 1.908 248 HZ PHE 32 HZ PHE 32 2.668 -4.516 -0.174 249 H ALA 33 H ALA 33 8.865 -2.650 2.556 250 HA ALA 33 HA ALA 33 7.550 -0.486 1.298 251 HB1 ALA 33 1HB ALA 33 9.552 -0.428 3.620 252 HB2 ALA 33 2HB ALA 33 8.371 0.846 3.214 253 HB3 ALA 33 3HB ALA 33 7.810 -0.750 3.744 254 H ASP 34 H ASP 34 10.999 -1.332 1.225 255 HA ASP 34 HA ASP 34 11.748 1.376 0.374 256 HB2 ASP 34 1HB ASP 34 13.253 -0.289 1.622 257 HB3 ASP 34 2HB ASP 34 13.553 -1.031 0.049 258 H ASP 35 H ASP 35 10.819 -1.590 -1.225 259 HA ASP 35 HA ASP 35 11.539 -0.796 -3.927 260 HB2 ASP 35 1HB ASP 35 11.319 -3.140 -2.957 261 HB3 ASP 35 2HB ASP 35 9.581 -2.923 -3.061 262 H LEU 36 H LEU 36 8.589 -0.805 -1.877 263 HA LEU 36 HA LEU 36 6.855 0.445 -3.800 264 HB2 LEU 36 1HB LEU 36 6.862 0.041 -0.832 265 HB3 LEU 36 2HB LEU 36 5.926 1.397 -1.421 266 HG LEU 36 HG LEU 36 4.670 -0.003 -2.939 267 HD11 LEU 36 1HD1 LEU 36 6.278 -1.810 -3.444 268 HD12 LEU 36 2HD1 LEU 36 6.150 -2.391 -1.769 269 HD13 LEU 36 3HD1 LEU 36 4.746 -2.469 -2.854 270 HD21 LEU 36 3HD2 LEU 36 4.705 -1.115 -0.120 271 HD22 LEU 36 1HD2 LEU 36 3.880 0.368 -0.645 272 HD23 LEU 36 2HD2 LEU 36 3.347 -1.204 -1.260 273 H ASN 37 H ASN 37 9.167 1.856 -1.401 274 HA ASN 37 HA ASN 37 8.645 4.588 -2.078 275 HB2 ASN 37 1HB ASN 37 10.898 3.058 -0.787 276 HB3 ASN 37 2HB ASN 37 11.167 4.695 -1.280 277 HD21 ASN 37 1HD2 ASN 37 10.999 3.300 1.491 278 HD22 ASN 37 2HD2 ASN 37 9.760 4.147 2.306 279 H GLN 38 H GLN 38 10.487 2.047 -3.860 280 HA GLN 38 HA GLN 38 11.864 3.940 -5.584 281 HB2 GLN 38 1HB GLN 38 11.684 1.019 -5.070 282 HB3 GLN 38 2HB GLN 38 11.939 1.473 -6.716 283 HG2 GLN 38 1HG GLN 38 13.610 2.740 -4.517 284 HG3 GLN 38 2HG GLN 38 13.885 1.072 -5.014 285 HE21 GLN 38 1HE2 GLN 38 15.830 1.175 -5.990 286 HE22 GLN 38 2HE2 GLN 38 16.123 2.032 -7.478 287 H MET 39 H MET 39 8.713 2.298 -5.396 288 HA MET 39 HA MET 39 8.010 2.830 -8.151 289 HB2 MET 39 1HB MET 39 6.271 2.162 -5.740 290 HB3 MET 39 2HB MET 39 5.672 2.328 -7.397 291 HG2 MET 39 1HG MET 39 6.938 0.475 -8.154 292 HG3 MET 39 2HG MET 39 7.921 0.445 -6.707 293 HE1 MET 39 3HE MET 39 4.384 0.777 -5.260 294 HE2 MET 39 1HE MET 39 3.969 0.626 -6.984 295 HE3 MET 39 2HE MET 39 3.537 -0.659 -5.842 296 H THR 40 H THR 40 7.610 4.725 -5.058 297 HA THR 40 HA THR 40 6.148 6.803 -6.502 298 HB THR 40 HB THR 40 6.379 8.077 -4.435 299 HG1 THR 40 1HG THR 40 7.701 7.574 -2.970 300 HG21 THR 40 3HG2 THR 40 4.564 6.378 -4.749 301 HG22 THR 40 1HG2 THR 40 5.557 5.211 -3.838 302 HG23 THR 40 2HG2 THR 40 4.952 6.702 -3.059 303 H GLY 41 H GLY 41 9.520 6.073 -6.000 304 HA2 GLY 41 1HA GLY 41 11.396 7.261 -6.767 305 HA3 GLY 41 2HA GLY 41 10.376 8.629 -7.186 306 H PHE 42 H PHE 42 9.820 7.260 -4.001 307 HA PHE 42 HA PHE 42 10.342 9.646 -2.592 308 HB2 PHE 42 1HB PHE 42 9.040 8.012 -1.389 309 HB3 PHE 42 2HB PHE 42 10.236 6.765 -1.683 310 HD1 PHE 42 2HD PHE 42 9.986 10.193 0.038 311 HD2 PHE 42 1HD PHE 42 11.880 6.288 -0.057 312 HE1 PHE 42 2HE PHE 42 11.710 10.965 1.532 313 HE2 PHE 42 1HE PHE 42 13.517 7.057 1.574 314 HZ PHE 42 HZ PHE 42 13.493 9.424 2.304 315 H THR 43 H THR 43 12.117 10.606 -1.804 316 HA THR 43 HA THR 43 14.785 9.318 -1.866 317 HB THR 43 HB THR 43 13.755 11.679 -3.532 318 HG1 THR 43 1HG THR 43 13.422 9.943 -4.703 319 HG21 THR 43 3HG2 THR 43 15.918 12.330 -2.728 320 HG22 THR 43 1HG2 THR 43 16.605 10.729 -3.096 321 HG23 THR 43 2HG2 THR 43 16.098 11.813 -4.412 322 H LYS 44 H LYS 44 15.818 9.908 -0.057 323 HA LYS 44 HA LYS 44 14.638 11.771 1.760 324 HB2 LYS 44 1HB LYS 44 17.089 10.050 1.592 325 HB3 LYS 44 2HB LYS 44 17.243 11.439 2.640 326 HG2 LYS 44 1HG LYS 44 14.864 10.502 3.555 327 HG3 LYS 44 2HG LYS 44 15.566 8.988 2.956 328 HD2 LYS 44 1HD LYS 44 17.575 9.479 4.395 329 HD3 LYS 44 2HD LYS 44 16.725 10.908 5.024 330 HE2 LYS 44 1HE LYS 44 14.903 9.512 5.876 331 HE3 LYS 44 2HE LYS 44 15.619 8.066 5.130 332 HZ1 LYS 44 3HZ LYS 44 17.492 8.293 6.578 333 HZ2 LYS 44 1HZ LYS 44 16.848 9.671 7.274 334 HZ3 LYS 44 2HZ LYS 44 16.108 8.232 7.477 335 HA PRO 45 HA PRO 45 16.004 12.886 3.521 336 HB2 PRO 45 1HB PRO 45 15.295 15.344 4.426 337 HB3 PRO 45 2HB PRO 45 17.005 14.825 4.284 338 HG2 PRO 45 1HG PRO 45 15.394 16.517 2.342 339 HG3 PRO 45 2HG PRO 45 17.066 16.793 2.932 340 HD2 PRO 45 1HD PRO 45 16.616 15.589 0.541 341 HD3 PRO 45 2HD PRO 45 17.923 15.027 1.623 342 H ALA 46 H ALA 46 14.015 12.148 4.364 343 HA ALA 46 HA ALA 46 11.709 12.795 2.773 344 HB1 ALA 46 1HB ALA 46 11.629 11.167 5.334 345 HB2 ALA 46 2HB ALA 46 10.659 11.027 3.838 346 HB3 ALA 46 3HB ALA 46 12.327 10.477 3.860 347 H SER 47 H SER 47 9.994 14.097 3.421 348 HA SER 47 HA SER 47 10.291 15.871 5.736 349 HB2 SER 47 1HB SER 47 8.370 15.505 3.434 350 HB3 SER 47 2HB SER 47 7.838 16.423 4.841 351 HG SER 47 HG SER 47 8.838 17.707 3.234 352 H ARG 48 H ARG 48 9.003 12.677 5.316 353 HA ARG 48 HA ARG 48 8.293 12.756 8.076 354 HB2 ARG 48 1HB ARG 48 6.045 12.476 8.101 355 HB3 ARG 48 2HB ARG 48 6.128 13.435 6.645 356 HG2 ARG 48 1HG ARG 48 6.190 11.136 5.407 357 HG3 ARG 48 2HG ARG 48 5.592 10.465 6.925 358 HD2 ARG 48 1HD ARG 48 4.348 12.703 5.370 359 HD3 ARG 48 2HD ARG 48 3.737 11.040 5.384 360 HE ARG 48 HE ARG 48 3.712 11.691 8.040 361 HH11 ARG 48 2HH2 ARG 48 2.392 13.304 5.133 362 HH12 ARG 48 1HH2 ARG 48 1.202 14.198 6.006 363 HH21 ARG 48 2HH1 ARG 48 1.800 12.615 9.107 364 HH22 ARG 48 1HH1 ARG 48 0.794 13.696 8.207 365 H GLU 49 H GLU 49 7.367 10.502 8.607 366 HA GLU 49 HA GLU 49 8.110 8.436 6.756 367 HB2 GLU 49 1HB GLU 49 9.223 8.547 9.573 368 HB3 GLU 49 2HB GLU 49 8.797 6.987 8.841 369 HG2 GLU 49 1HG GLU 49 10.286 7.359 6.968 370 HG3 GLU 49 2HG GLU 49 10.657 9.001 7.517 371 H LEU 50 H LEU 50 6.715 6.734 6.961 372 HA LEU 50 HA LEU 50 4.550 6.798 8.982 373 HB2 LEU 50 1HB LEU 50 4.166 5.779 6.144 374 HB3 LEU 50 2HB LEU 50 2.959 5.944 7.375 375 HG LEU 50 HG LEU 50 4.371 8.312 6.091 376 HD11 LEU 50 1HD1 LEU 50 2.349 8.599 4.734 377 HD12 LEU 50 2HD1 LEU 50 3.117 7.065 4.387 378 HD13 LEU 50 3HD1 LEU 50 1.651 7.112 5.414 379 HD21 LEU 50 3HD2 LEU 50 1.875 8.058 7.812 380 HD22 LEU 50 1HD2 LEU 50 3.400 8.836 8.281 381 HD23 LEU 50 2HD2 LEU 50 2.392 9.554 7.023 382 H SER 51 H SER 51 3.851 4.515 9.306 383 HA SER 51 HA SER 51 5.793 2.503 8.260 384 HB2 SER 51 1HB SER 51 5.934 3.209 10.823 385 HB3 SER 51 2HB SER 51 4.634 1.999 10.962 386 HG SER 51 HG SER 51 6.146 0.510 10.691 387 H VAL 52 H VAL 52 5.000 0.315 8.241 388 HA VAL 52 HA VAL 52 2.100 -0.021 7.748 389 HB VAL 52 HB VAL 52 4.454 -0.595 5.932 390 HG11 VAL 52 1HG1 VAL 52 3.089 -2.614 5.833 391 HG12 VAL 52 2HG1 VAL 52 1.622 -1.638 5.572 392 HG13 VAL 52 3HG1 VAL 52 2.910 -1.697 4.349 393 HG21 VAL 52 3HG2 VAL 52 3.374 0.717 4.268 394 HG22 VAL 52 1HG2 VAL 52 1.913 0.852 5.246 395 HG23 VAL 52 2HG2 VAL 52 3.418 1.675 5.745 396 H THR 53 H THR 53 1.421 -2.181 8.213 397 HA THR 53 HA THR 53 3.484 -4.121 9.054 398 HB THR 53 HB THR 53 2.044 -4.709 10.948 399 HG1 THR 53 1HG THR 53 0.118 -3.802 10.405 400 HG21 THR 53 3HG2 THR 53 3.026 -1.848 11.145 401 HG22 THR 53 1HG2 THR 53 2.670 -2.939 12.497 402 HG23 THR 53 2HG2 THR 53 3.997 -3.325 11.397 403 H PHE 54 H PHE 54 2.497 -6.370 9.149 404 HA PHE 54 HA PHE 54 0.650 -6.700 6.822 405 HB2 PHE 54 1HB PHE 54 2.682 -8.604 8.040 406 HB3 PHE 54 2HB PHE 54 1.728 -8.888 6.584 407 HD1 PHE 54 2HD PHE 54 2.143 -5.992 5.466 408 HD2 PHE 54 1HD PHE 54 4.838 -8.943 7.045 409 HE1 PHE 54 2HE PHE 54 3.925 -5.130 3.983 410 HE2 PHE 54 1HE PHE 54 6.644 -8.022 5.649 411 HZ PHE 54 HZ PHE 54 6.194 -6.146 4.058 412 H PHE 55 H PHE 55 -1.323 -7.615 7.197 413 HA PHE 55 HA PHE 55 -2.364 -7.790 9.631 414 HB2 PHE 55 1HB PHE 55 -3.233 -8.407 7.044 415 HB3 PHE 55 2HB PHE 55 -3.554 -9.882 7.916 416 HD1 PHE 55 1HD PHE 55 -3.888 -6.147 8.508 417 HD2 PHE 55 2HD PHE 55 -5.703 -10.052 8.867 418 HE1 PHE 55 1HE PHE 55 -5.945 -5.122 9.433 419 HE2 PHE 55 2HE PHE 55 -7.721 -9.022 9.841 420 HZ PHE 55 HZ PHE 55 -7.855 -6.548 10.112 421 HA PRO 56 HA PRO 56 -3.911 -8.859 10.888 422 HB2 PRO 56 1HB PRO 56 -4.215 -9.703 13.464 423 HB3 PRO 56 2HB PRO 56 -4.693 -10.722 12.078 424 HG2 PRO 56 1HG PRO 56 -2.055 -10.781 13.610 425 HG3 PRO 56 2HG PRO 56 -3.140 -12.165 13.271 426 HD2 PRO 56 1HD PRO 56 -0.992 -11.555 11.674 427 HD3 PRO 56 2HD PRO 56 -2.498 -12.228 10.996 428 H ASP 57 H ASP 57 -0.647 -8.281 11.253 429 HA ASP 57 HA ASP 57 -0.810 -6.432 13.447 430 HB2 ASP 57 1HB ASP 57 1.147 -6.551 11.141 431 HB3 ASP 57 2HB ASP 57 1.216 -5.590 12.603 432 H LEU 58 H LEU 58 -2.208 -4.740 13.178 433 HA LEU 58 HA LEU 58 -1.973 -3.118 10.693 434 HB2 LEU 58 1HB LEU 58 -4.252 -2.387 10.901 435 HB3 LEU 58 2HB LEU 58 -4.154 -4.108 10.595 436 HG LEU 58 HG LEU 58 -4.297 -3.465 13.488 437 HD11 LEU 58 1HD1 LEU 58 -6.698 -2.858 13.452 438 HD12 LEU 58 2HD1 LEU 58 -5.686 -1.603 12.707 439 HD13 LEU 58 3HD1 LEU 58 -6.634 -2.711 11.690 440 HD21 LEU 58 3HD2 LEU 58 -4.658 -5.734 12.302 441 HD22 LEU 58 1HD2 LEU 58 -5.845 -5.280 13.541 442 HD23 LEU 58 2HD2 LEU 58 -6.230 -5.106 11.817 443 H ASN 59 H ASN 59 -0.400 -3.120 13.151 444 HA ASN 59 HA ASN 59 -1.167 -0.820 14.733 445 HB2 ASN 59 1HB ASN 59 1.537 -2.199 14.598 446 HB3 ASN 59 2HB ASN 59 0.911 -1.164 15.878 447 HD21 ASN 59 1HD2 ASN 59 1.018 -4.366 14.589 448 HD22 ASN 59 2HD2 ASN 59 -0.251 -5.090 15.588 449 H GLY 60 H GLY 60 0.603 -1.312 11.745 450 HA2 GLY 60 1HA GLY 60 2.251 1.006 11.715 451 HA3 GLY 60 2HA GLY 60 1.555 0.206 10.294 452 H ASP 61 H ASP 61 1.776 2.953 10.116 453 HA ASP 61 HA ASP 61 -0.654 4.296 10.930 454 HB2 ASP 61 1HB ASP 61 1.521 5.466 10.050 455 HB3 ASP 61 2HB ASP 61 0.956 4.996 8.455 456 H VAL 62 H VAL 62 0.505 2.396 8.242 457 HA VAL 62 HA VAL 62 -2.173 2.245 6.945 458 HB VAL 62 HB VAL 62 0.667 2.457 5.884 459 HG11 VAL 62 1HG1 VAL 62 -0.281 0.892 4.453 460 HG12 VAL 62 2HG1 VAL 62 -1.817 1.699 4.299 461 HG13 VAL 62 3HG1 VAL 62 -0.376 2.427 3.579 462 HG21 VAL 62 3HG2 VAL 62 -0.046 4.618 6.391 463 HG22 VAL 62 1HG2 VAL 62 -0.336 4.471 4.661 464 HG23 VAL 62 2HG2 VAL 62 -1.682 4.349 5.807 465 H VAL 63 H VAL 63 -2.335 0.053 5.704 466 HA VAL 63 HA VAL 63 -1.114 -2.125 7.362 467 HB VAL 63 HB VAL 63 -3.986 -1.943 6.356 468 HG11 VAL 63 1HG1 VAL 63 -2.644 -3.768 8.393 469 HG12 VAL 63 2HG1 VAL 63 -4.402 -3.650 8.146 470 HG13 VAL 63 3HG1 VAL 63 -3.389 -4.233 6.845 471 HG21 VAL 63 3HG2 VAL 63 -4.652 -1.433 8.696 472 HG22 VAL 63 1HG2 VAL 63 -2.933 -1.220 9.122 473 HG23 VAL 63 2HG2 VAL 63 -3.733 -0.124 7.973 474 H ALA 64 H ALA 64 -1.311 -4.326 6.192 475 HA ALA 64 HA ALA 64 -1.677 -4.117 3.267 476 HB1 ALA 64 1HB ALA 64 0.172 -5.533 2.788 477 HB2 ALA 64 2HB ALA 64 0.840 -4.324 3.909 478 HB3 ALA 64 3HB ALA 64 0.371 -5.957 4.481 479 H ILE 65 H ILE 65 -2.340 -6.185 2.327 480 HA ILE 65 HA ILE 65 -3.547 -8.093 4.210 481 HB ILE 65 HB ILE 65 -4.840 -6.608 1.907 482 HG12 ILE 65 1HG1 ILE 65 -4.883 -5.417 4.097 483 HG13 ILE 65 2HG1 ILE 65 -6.464 -5.812 3.476 484 HG21 ILE 65 1HG2 ILE 65 -5.909 -9.041 3.371 485 HG22 ILE 65 2HG2 ILE 65 -6.901 -7.950 2.385 486 HG23 ILE 65 3HG2 ILE 65 -5.584 -8.854 1.637 487 HD11 ILE 65 3HD1 ILE 65 -6.262 -6.143 5.935 488 HD12 ILE 65 1HD1 ILE 65 -6.709 -7.640 5.105 489 HD13 ILE 65 2HD1 ILE 65 -5.042 -7.395 5.672 490 H ASP 66 H ASP 66 -3.659 -10.228 3.282 491 HA ASP 66 HA ASP 66 -1.674 -11.004 1.407 492 HB2 ASP 66 1HB ASP 66 -2.674 -12.476 3.135 493 HB3 ASP 66 2HB ASP 66 -4.207 -12.488 2.260 494 H TYR 67 H TYR 67 -1.649 -10.789 -0.703 495 HA TYR 67 HA TYR 67 -3.403 -9.685 -2.487 496 HB2 TYR 67 1HB TYR 67 -1.145 -10.170 -3.160 497 HB3 TYR 67 2HB TYR 67 -1.304 -11.850 -2.727 498 HD1 TYR 67 1HD TYR 67 -2.373 -13.497 -4.156 499 HD2 TYR 67 2HD TYR 67 -1.973 -9.398 -5.412 500 HE1 TYR 67 1HE TYR 67 -2.975 -14.158 -6.457 501 HE2 TYR 67 2HE TYR 67 -2.477 -10.071 -7.760 502 HH TYR 67 HH TYR 67 -3.395 -11.809 -9.121 503 H ARG 68 H ARG 68 -3.854 -12.963 -1.173 504 HA ARG 68 HA ARG 68 -5.418 -14.101 -3.194 505 HB2 ARG 68 1HB ARG 68 -6.230 -15.557 -1.480 506 HB3 ARG 68 2HB ARG 68 -4.564 -15.147 -1.060 507 HG2 ARG 68 1HG ARG 68 -5.531 -13.362 0.524 508 HG3 ARG 68 2HG ARG 68 -7.130 -14.063 0.191 509 HD2 ARG 68 1HD ARG 68 -6.228 -16.289 0.883 510 HD3 ARG 68 2HD ARG 68 -4.731 -15.488 1.403 511 HE ARG 68 HE ARG 68 -6.733 -14.106 2.727 512 HH11 ARG 68 2HH2 ARG 68 -5.594 -17.447 2.590 513 HH12 ARG 68 1HH2 ARG 68 -6.264 -17.871 4.153 514 HH21 ARG 68 2HH1 ARG 68 -7.921 -14.785 4.584 515 HH22 ARG 68 1HH1 ARG 68 -7.802 -16.418 5.134 516 H HIS 69 H HIS 69 -6.291 -11.454 -1.091 517 HA HIS 69 HA HIS 69 -9.176 -11.646 -1.434 518 HB2 HIS 69 1HB HIS 69 -7.159 -9.602 -0.540 519 HB3 HIS 69 2HB HIS 69 -8.792 -9.060 -0.908 520 HD1 HIS 69 1HD HIS 69 -6.848 -10.886 1.780 521 HD2 HIS 69 2HD HIS 69 -10.741 -9.733 0.701 522 HE1 HIS 69 1HE HIS 69 -8.265 -10.989 3.917 523 H TYR 70 H TYR 70 -6.525 -10.526 -3.507 524 HA TYR 70 HA TYR 70 -7.944 -8.455 -4.756 525 HB2 TYR 70 1HB TYR 70 -5.501 -8.546 -4.733 526 HB3 TYR 70 2HB TYR 70 -5.539 -9.959 -5.788 527 HD1 TYR 70 1HD TYR 70 -8.126 -7.487 -6.645 528 HD2 TYR 70 2HD TYR 70 -3.989 -8.550 -7.157 529 HE1 TYR 70 1HE TYR 70 -8.034 -6.155 -8.715 530 HE2 TYR 70 2HE TYR 70 -3.910 -7.294 -9.283 531 HH TYR 70 HH TYR 70 -5.240 -6.182 -10.927 532 H SER 71 H SER 71 -9.810 -9.052 -5.414 533 HA SER 71 HA SER 71 -10.291 -11.300 -7.116 534 HB2 SER 71 1HB SER 71 -11.986 -9.235 -5.659 535 HB3 SER 71 2HB SER 71 -12.716 -10.556 -6.525 536 HG SER 71 HG SER 71 -10.926 -10.700 -4.279 537 H ALA 72 H ALA 72 -9.061 -8.817 -8.427 538 HA ALA 72 HA ALA 72 -9.291 -7.322 -10.084 539 HB1 ALA 72 1HB ALA 72 -10.506 -7.843 -12.055 540 HB2 ALA 72 2HB ALA 72 -9.754 -9.316 -11.429 541 HB3 ALA 72 3HB ALA 72 -11.507 -9.035 -11.215 542 H SER 73 H SER 73 -12.281 -7.937 -8.282 543 HA SER 73 HA SER 73 -13.753 -5.653 -8.792 544 HB2 SER 73 1HB SER 73 -13.365 -6.426 -5.927 545 HB3 SER 73 2HB SER 73 -14.848 -6.256 -6.865 546 HG SER 73 HG SER 73 -14.397 -8.333 -7.789 547 H PHE 74 H PHE 74 -10.663 -5.970 -7.242 548 HA PHE 74 HA PHE 74 -10.673 -3.215 -6.151 549 HB2 PHE 74 1HB PHE 74 -8.823 -5.495 -5.439 550 HB3 PHE 74 2HB PHE 74 -9.067 -4.008 -4.567 551 HD1 PHE 74 2HD PHE 74 -11.058 -3.682 -3.087 552 HD2 PHE 74 1HD PHE 74 -10.336 -7.394 -5.120 553 HE1 PHE 74 2HE PHE 74 -12.611 -4.839 -1.530 554 HE2 PHE 74 1HE PHE 74 -11.890 -8.550 -3.533 555 HZ PHE 74 HZ PHE 74 -13.030 -7.261 -1.765 556 H LYS 75 H LYS 75 -9.897 -3.990 -9.105 557 HA LYS 75 HA LYS 75 -7.109 -3.897 -9.281 558 HB2 LYS 75 1HB LYS 75 -7.549 -4.065 -11.475 559 HB3 LYS 75 2HB LYS 75 -9.126 -4.477 -10.915 560 HG2 LYS 75 1HG LYS 75 -9.718 -3.086 -12.535 561 HG3 LYS 75 2HG LYS 75 -9.695 -1.938 -11.225 562 HD2 LYS 75 1HD LYS 75 -7.540 -1.047 -11.972 563 HD3 LYS 75 2HD LYS 75 -7.298 -2.389 -13.096 564 HE2 LYS 75 1HE LYS 75 -9.622 -0.441 -13.280 565 HE3 LYS 75 2HE LYS 75 -8.077 -0.164 -14.109 566 HZ1 LYS 75 3HZ LYS 75 -8.448 -2.005 -15.486 567 HZ2 LYS 75 1HZ LYS 75 -9.617 -2.646 -14.542 568 HZ3 LYS 75 2HZ LYS 75 -9.924 -1.301 -15.403 569 H LYS 76 H LYS 76 -9.398 -1.315 -8.663 570 HA LYS 76 HA LYS 76 -7.389 0.755 -9.309 571 HB2 LYS 76 1HB LYS 76 -10.307 1.004 -8.540 572 HB3 LYS 76 2HB LYS 76 -9.215 2.331 -8.972 573 HG2 LYS 76 1HG LYS 76 -8.788 0.902 -11.172 574 HG3 LYS 76 2HG LYS 76 -10.289 0.108 -10.718 575 HD2 LYS 76 1HD LYS 76 -11.433 2.316 -10.619 576 HD3 LYS 76 2HD LYS 76 -9.962 3.107 -11.197 577 HE2 LYS 76 1HE LYS 76 -10.035 1.986 -13.306 578 HE3 LYS 76 2HE LYS 76 -11.186 0.777 -12.692 579 HZ1 LYS 76 3HZ LYS 76 -12.883 2.390 -12.644 580 HZ2 LYS 76 1HZ LYS 76 -11.889 3.616 -13.163 581 HZ3 LYS 76 2HZ LYS 76 -12.242 2.337 -14.129 582 H GLY 77 H GLY 77 -7.436 -1.191 -6.831 583 HA2 GLY 77 1HA GLY 77 -6.171 -0.769 -4.851 584 HA3 GLY 77 2HA GLY 77 -6.708 0.908 -4.870 585 H ALA 78 H ALA 78 -7.163 -0.043 -2.499 586 HA ALA 78 HA ALA 78 -10.003 -0.417 -2.289 587 HB1 ALA 78 1HB ALA 78 -9.993 -2.546 -1.257 588 HB2 ALA 78 2HB ALA 78 -9.044 -2.763 -2.731 589 HB3 ALA 78 3HB ALA 78 -8.214 -2.599 -1.176 590 H LYS 79 H LYS 79 -10.436 -0.857 0.237 591 HA LYS 79 HA LYS 79 -8.367 0.267 1.997 592 HB2 LYS 79 1HB LYS 79 -10.130 1.677 3.111 593 HB3 LYS 79 2HB LYS 79 -9.628 2.273 1.527 594 HG2 LYS 79 1HG LYS 79 -11.667 1.578 0.475 595 HG3 LYS 79 2HG LYS 79 -12.028 0.481 1.759 596 HD2 LYS 79 1HD LYS 79 -12.355 2.415 3.298 597 HD3 LYS 79 2HD LYS 79 -12.209 3.507 1.911 598 HE2 LYS 79 1HE LYS 79 -14.231 2.782 0.984 599 HE3 LYS 79 2HE LYS 79 -14.092 1.163 1.673 600 HZ1 LYS 79 3HZ LYS 79 -15.831 2.395 2.753 601 HZ2 LYS 79 1HZ LYS 79 -14.678 2.047 3.829 602 HZ3 LYS 79 2HZ LYS 79 -14.821 3.585 3.218 603 H LEU 80 H LEU 80 -8.887 -0.250 4.235 604 HA LEU 80 HA LEU 80 -10.495 -2.709 4.563 605 HB2 LEU 80 1HB LEU 80 -7.994 -2.361 5.375 606 HB3 LEU 80 2HB LEU 80 -8.702 -1.394 6.650 607 HG LEU 80 HG LEU 80 -9.953 -3.420 7.381 608 HD11 LEU 80 1HD1 LEU 80 -10.135 -4.644 5.238 609 HD12 LEU 80 2HD1 LEU 80 -8.387 -4.918 5.234 610 HD13 LEU 80 3HD1 LEU 80 -9.425 -5.648 6.476 611 HD21 LEU 80 3HD2 LEU 80 -8.052 -4.609 8.300 612 HD22 LEU 80 1HD2 LEU 80 -6.969 -3.947 7.050 613 HD23 LEU 80 2HD2 LEU 80 -7.680 -2.882 8.280 614 H LEU 81 H LEU 81 -11.048 -2.079 7.359 615 HA LEU 81 HA LEU 81 -13.568 -0.990 7.151 616 HB2 LEU 81 1HB LEU 81 -12.381 -2.311 9.024 617 HB3 LEU 81 2HB LEU 81 -11.861 -0.802 9.657 618 HG LEU 81 HG LEU 81 -13.816 -1.657 10.817 619 HD11 LEU 81 1HD1 LEU 81 -14.639 0.836 9.280 620 HD12 LEU 81 2HD1 LEU 81 -15.226 0.291 10.852 621 HD13 LEU 81 3HD1 LEU 81 -13.551 0.808 10.681 622 HD21 LEU 81 3HD2 LEU 81 -15.991 -1.892 9.827 623 HD22 LEU 81 1HD2 LEU 81 -15.426 -1.322 8.250 624 HD23 LEU 81 2HD2 LEU 81 -14.857 -2.876 8.913 625 H HIS 82 H HIS 82 -10.793 0.601 8.530 626 HA HIS 82 HA HIS 82 -11.622 3.199 7.340 627 HB2 HIS 82 1HB HIS 82 -11.511 4.426 9.378 628 HB3 HIS 82 2HB HIS 82 -12.612 3.083 9.627 629 HD1 HIS 82 1HD HIS 82 -9.838 4.756 11.300 630 HD2 HIS 82 2HD HIS 82 -11.287 0.813 10.910 631 HE1 HIS 82 1HE HIS 82 -8.875 3.427 13.272 632 H LYS 83 H LYS 83 -9.238 1.147 7.130 633 HA LYS 83 HA LYS 83 -7.159 3.199 7.247 634 HB2 LYS 83 1HB LYS 83 -7.120 0.347 8.326 635 HB3 LYS 83 2HB LYS 83 -5.649 1.191 7.869 636 HG2 LYS 83 1HG LYS 83 -7.128 3.086 9.419 637 HG3 LYS 83 2HG LYS 83 -7.345 1.569 10.241 638 HD2 LYS 83 1HD LYS 83 -4.667 2.558 9.287 639 HD3 LYS 83 2HD LYS 83 -5.336 3.115 10.832 640 HE2 LYS 83 1HE LYS 83 -5.568 0.716 11.559 641 HE3 LYS 83 2HE LYS 83 -4.681 0.231 10.112 642 HZ1 LYS 83 3HZ LYS 83 -3.246 0.437 12.026 643 HZ2 LYS 83 1HZ LYS 83 -2.784 1.544 10.930 644 HZ3 LYS 83 2HZ LYS 83 -3.655 1.977 12.272 645 HA PRO 84 HA PRO 84 -6.440 1.860 3.121 646 HB2 PRO 84 1HB PRO 84 -3.923 2.835 2.674 647 HB3 PRO 84 2HB PRO 84 -5.321 3.913 2.975 648 HG2 PRO 84 1HG PRO 84 -3.251 2.970 4.966 649 HG3 PRO 84 2HG PRO 84 -3.821 4.622 4.735 650 HD2 PRO 84 1HD PRO 84 -4.693 2.857 6.653 651 HD3 PRO 84 2HD PRO 84 -5.748 4.139 6.044 652 H ILE 85 H ILE 85 -5.237 0.287 1.836 653 HA ILE 85 HA ILE 85 -3.598 -1.622 3.399 654 HB ILE 85 HB ILE 85 -4.848 -3.540 2.722 655 HG12 ILE 85 1HG1 ILE 85 -7.202 -2.863 1.503 656 HG13 ILE 85 2HG1 ILE 85 -6.173 -1.665 0.744 657 HG21 ILE 85 1HG2 ILE 85 -6.839 -1.511 3.646 658 HG22 ILE 85 2HG2 ILE 85 -6.887 -3.281 3.808 659 HG23 ILE 85 3HG2 ILE 85 -5.652 -2.348 4.662 660 HD11 ILE 85 3HD1 ILE 85 -6.405 -3.803 -0.555 661 HD12 ILE 85 1HD1 ILE 85 -4.724 -3.456 -0.147 662 HD13 ILE 85 2HD1 ILE 85 -5.635 -4.676 0.773 663 H VAL 86 H VAL 86 -2.511 -3.256 1.879 664 HA VAL 86 HA VAL 86 -2.335 -2.500 -0.917 665 HB VAL 86 HB VAL 86 0.091 -2.945 -1.014 666 HG11 VAL 86 1HG1 VAL 86 -0.610 -0.684 -1.041 667 HG12 VAL 86 2HG1 VAL 86 -0.586 -0.585 0.737 668 HG13 VAL 86 3HG1 VAL 86 0.922 -0.816 -0.171 669 HG21 VAL 86 3HG2 VAL 86 1.463 -2.762 1.067 670 HG22 VAL 86 1HG2 VAL 86 -0.015 -2.996 2.003 671 HG23 VAL 86 2HG2 VAL 86 0.544 -4.268 0.898 672 H TRP 87 H TRP 87 -1.168 -4.483 -2.037 673 HA TRP 87 HA TRP 87 -2.024 -7.000 -0.737 674 HB2 TRP 87 1HB TRP 87 -0.874 -6.516 -3.512 675 HB3 TRP 87 2HB TRP 87 -1.575 -8.006 -2.894 676 HD1 TRP 87 HD TRP 87 -2.385 -5.327 -5.049 677 HE1 TRP 87 1HE TRP 87 -4.931 -4.878 -5.320 678 HE3 TRP 87 3HE TRP 87 -4.075 -7.818 -0.920 679 HZ2 TRP 87 2HZ TRP 87 -7.326 -5.458 -3.839 680 HZ3 TRP 87 3HZ TRP 87 -6.418 -7.675 -0.289 681 HH2 TRP 87 HH TRP 87 -8.112 -6.593 -1.822 682 H HIS 88 H HIS 88 -0.468 -8.243 0.171 683 HA HIS 88 HA HIS 88 2.343 -7.902 -0.783 684 HB2 HIS 88 1HB HIS 88 3.246 -8.653 1.205 685 HB3 HIS 88 2HB HIS 88 2.263 -7.267 1.619 686 HD1 HIS 88 1HD HIS 88 2.877 -10.833 2.537 687 HD2 HIS 88 2HD HIS 88 -0.127 -7.924 3.007 688 HE1 HIS 88 1HE HIS 88 1.568 -11.537 4.527 689 H ILE 89 H ILE 89 3.454 -9.833 -1.085 690 HA ILE 89 HA ILE 89 1.970 -12.353 -0.792 691 HB ILE 89 HB ILE 89 3.745 -11.639 -3.163 692 HG12 ILE 89 1HG1 ILE 89 0.822 -12.500 -3.214 693 HG13 ILE 89 2HG1 ILE 89 1.321 -10.819 -3.315 694 HG21 ILE 89 1HG2 ILE 89 3.360 -13.915 -3.914 695 HG22 ILE 89 2HG2 ILE 89 4.107 -13.920 -2.316 696 HG23 ILE 89 3HG2 ILE 89 2.377 -14.249 -2.466 697 HD11 ILE 89 3HD1 ILE 89 2.625 -11.356 -5.397 698 HD12 ILE 89 1HD1 ILE 89 1.934 -12.995 -5.346 699 HD13 ILE 89 2HD1 ILE 89 0.868 -11.601 -5.538 700 H ASN 90 H ASN 90 3.145 -13.420 0.691 701 HA ASN 90 HA ASN 90 4.756 -13.854 2.201 702 HB2 ASN 90 1HB ASN 90 6.537 -15.059 1.215 703 HB3 ASN 90 2HB ASN 90 5.036 -15.379 0.374 704 HD21 ASN 90 1HD2 ASN 90 7.882 -13.148 0.098 705 HD22 ASN 90 2HD2 ASN 90 8.245 -13.657 -1.557 706 H GLN 91 H GLN 91 4.713 -11.063 2.258 707 HA GLN 91 HA GLN 91 5.834 -9.281 2.937 708 HB2 GLN 91 1HB GLN 91 8.257 -10.955 3.594 709 HB3 GLN 91 2HB GLN 91 7.785 -9.407 4.229 710 HG2 GLN 91 1HG GLN 91 5.763 -10.427 5.296 711 HG3 GLN 91 2HG GLN 91 6.303 -12.009 4.754 712 HE21 GLN 91 1HE2 GLN 91 8.672 -12.591 5.389 713 HE22 GLN 91 2HE2 GLN 91 9.202 -12.048 6.967 714 H ALA 92 H ALA 92 6.049 -10.078 0.048 715 HA ALA 92 HA ALA 92 8.321 -8.289 -0.605 716 HB1 ALA 92 1HB ALA 92 9.007 -10.655 -1.025 717 HB2 ALA 92 2HB ALA 92 7.591 -10.866 -2.073 718 HB3 ALA 92 3HB ALA 92 8.872 -9.719 -2.527 719 H THR 93 H THR 93 8.052 -7.379 -2.813 720 HA THR 93 HA THR 93 5.251 -7.135 -3.695 721 HB THR 93 HB THR 93 5.980 -4.979 -2.924 722 HG1 THR 93 1HG THR 93 5.928 -3.946 -5.102 723 HG21 THR 93 3HG2 THR 93 7.725 -3.688 -4.007 724 HG22 THR 93 1HG2 THR 93 8.385 -5.062 -3.114 725 HG23 THR 93 2HG2 THR 93 8.274 -5.128 -4.893 726 H THR 94 H THR 94 5.192 -7.010 -6.128 727 HA THR 94 HA THR 94 7.338 -8.407 -7.567 728 HB THR 94 HB THR 94 5.588 -9.996 -8.489 729 HG1 THR 94 1HG THR 94 4.106 -9.091 -6.245 730 HG21 THR 94 3HG2 THR 94 6.047 -10.340 -5.490 731 HG22 THR 94 1HG2 THR 94 5.477 -11.587 -6.620 732 HG23 THR 94 2HG2 THR 94 7.101 -10.905 -6.794 733 H LYS 95 H LYS 95 6.702 -8.247 -10.011 734 HA LYS 95 HA LYS 95 5.670 -5.695 -10.657 735 HB2 LYS 95 1HB LYS 95 7.001 -7.502 -12.066 736 HB3 LYS 95 2HB LYS 95 5.397 -7.993 -12.606 737 HG2 LYS 95 1HG LYS 95 6.363 -5.111 -12.725 738 HG3 LYS 95 2HG LYS 95 6.778 -6.255 -13.987 739 HD2 LYS 95 1HD LYS 95 3.869 -5.768 -13.250 740 HD3 LYS 95 2HD LYS 95 4.747 -4.704 -14.336 741 HE2 LYS 95 1HE LYS 95 5.293 -6.601 -15.811 742 HE3 LYS 95 2HE LYS 95 4.411 -7.706 -14.742 743 HZ1 LYS 95 3HZ LYS 95 3.159 -5.356 -16.015 744 HZ2 LYS 95 1HZ LYS 95 3.099 -6.879 -16.668 745 HZ3 LYS 95 2HZ LYS 95 2.417 -6.559 -15.193 746 H THR 96 H THR 96 4.037 -8.835 -10.310 747 HA THR 96 HA THR 96 1.473 -8.283 -11.108 748 HB THR 96 HB THR 96 2.317 -10.008 -8.746 749 HG1 THR 96 1HG THR 96 3.227 -11.326 -10.059 750 HG21 THR 96 3HG2 THR 96 -0.110 -9.973 -9.165 751 HG22 THR 96 1HG2 THR 96 0.184 -10.352 -10.877 752 HG23 THR 96 2HG2 THR 96 0.581 -11.542 -9.616 753 H THR 97 H THR 97 2.904 -7.677 -7.778 754 HA THR 97 HA THR 97 0.346 -6.507 -6.974 755 HB THR 97 HB THR 97 1.471 -6.419 -4.718 756 HG1 THR 97 1HG THR 97 3.386 -7.910 -4.756 757 HG21 THR 97 3HG2 THR 97 0.090 -8.379 -5.409 758 HG22 THR 97 1HG2 THR 97 1.546 -9.175 -6.039 759 HG23 THR 97 2HG2 THR 97 1.411 -8.819 -4.311 760 H PHE 98 H PHE 98 3.255 -5.354 -8.374 761 HA PHE 98 HA PHE 98 3.654 -2.911 -7.048 762 HB2 PHE 98 1HB PHE 98 5.430 -3.092 -8.379 763 HB3 PHE 98 2HB PHE 98 4.644 -4.233 -9.417 764 HD1 PHE 98 2HD PHE 98 4.532 -0.477 -8.869 765 HD2 PHE 98 1HD PHE 98 4.438 -3.750 -11.671 766 HE1 PHE 98 2HE PHE 98 4.634 1.106 -10.733 767 HE2 PHE 98 1HE PHE 98 4.546 -2.142 -13.540 768 HZ PHE 98 HZ PHE 98 4.669 0.316 -13.082 769 H LYS 99 H LYS 99 1.952 -3.446 -10.126 770 HA LYS 99 HA LYS 99 1.001 -0.792 -10.460 771 HB2 LYS 99 1HB LYS 99 0.045 -3.480 -11.398 772 HB3 LYS 99 2HB LYS 99 -0.911 -2.048 -11.759 773 HG2 LYS 99 1HG LYS 99 1.982 -2.369 -12.572 774 HG3 LYS 99 2HG LYS 99 0.595 -2.704 -13.587 775 HD2 LYS 99 1HD LYS 99 -0.099 -0.369 -13.572 776 HD3 LYS 99 2HD LYS 99 1.249 0.064 -12.497 777 HE2 LYS 99 1HE LYS 99 2.869 -0.741 -14.199 778 HE3 LYS 99 2HE LYS 99 1.549 -1.281 -15.230 779 HZ1 LYS 99 3HZ LYS 99 2.374 0.767 -16.033 780 HZ2 LYS 99 1HZ LYS 99 0.873 1.080 -15.406 781 HZ3 LYS 99 2HZ LYS 99 2.235 1.538 -14.611 782 HA PRO 100 HA PRO 100 -3.048 -1.835 -8.211 783 HB2 PRO 100 1HB PRO 100 -3.233 -3.934 -6.497 784 HB3 PRO 100 2HB PRO 100 -3.691 -4.005 -8.224 785 HG2 PRO 100 1HG PRO 100 -1.161 -4.915 -6.913 786 HG3 PRO 100 2HG PRO 100 -2.119 -5.761 -8.164 787 HD2 PRO 100 1HD PRO 100 0.123 -4.355 -8.815 788 HD3 PRO 100 2HD PRO 100 -1.311 -4.358 -9.866 789 H ASN 101 H ASN 101 0.122 -2.499 -6.470 790 HA ASN 101 HA ASN 101 -0.765 -1.381 -4.004 791 HB2 ASN 101 1HB ASN 101 1.857 -2.154 -5.259 792 HB3 ASN 101 2HB ASN 101 1.739 -1.269 -3.773 793 HD21 ASN 101 1HD2 ASN 101 2.842 -3.558 -3.174 794 HD22 ASN 101 2HD2 ASN 101 1.617 -4.650 -2.522 795 H THR 102 H THR 102 0.760 -0.056 -6.959 796 HA THR 102 HA THR 102 1.153 2.568 -5.955 797 HB THR 102 HB THR 102 1.660 1.150 -8.168 798 HG1 THR 102 1HG THR 102 2.195 3.890 -7.699 799 HG21 THR 102 3HG2 THR 102 0.212 3.670 -8.929 800 HG22 THR 102 1HG2 THR 102 1.058 2.519 -10.041 801 HG23 THR 102 2HG2 THR 102 -0.415 2.025 -9.226 802 H TRP 103 H TRP 103 -1.942 1.030 -6.678 803 HA TRP 103 HA TRP 103 -3.297 3.642 -6.724 804 HB2 TRP 103 1HB TRP 103 -4.367 0.826 -6.393 805 HB3 TRP 103 2HB TRP 103 -5.334 2.284 -6.382 806 HD1 TRP 103 HD TRP 103 -3.212 0.217 -8.761 807 HE1 TRP 103 1HE TRP 103 -4.137 0.448 -11.135 808 HE3 TRP 103 3HE TRP 103 -6.429 4.026 -7.893 809 HZ2 TRP 103 2HZ TRP 103 -6.193 2.072 -12.456 810 HZ3 TRP 103 3HZ TRP 103 -7.879 4.919 -9.701 811 HH2 TRP 103 HH TRP 103 -7.816 3.900 -11.976 812 H CYS 104 H CYS 104 -2.036 1.463 -4.208 813 HA CYS 104 HA CYS 104 -3.456 2.880 -2.070 814 HB2 CYS 104 1HB CYS 104 -2.531 0.638 -1.654 815 HB3 CYS 104 2HB CYS 104 -0.882 1.268 -1.975 816 HG CYS 104 HG CYS 104 -1.927 0.860 0.636 817 H LEU 105 H LEU 105 -0.325 3.209 -3.963 818 HA LEU 105 HA LEU 105 0.662 5.189 -2.115 819 HB2 LEU 105 1HB LEU 105 1.349 4.559 -5.050 820 HB3 LEU 105 2HB LEU 105 2.288 5.666 -4.039 821 HG LEU 105 HG LEU 105 1.871 2.705 -3.400 822 HD11 LEU 105 1HD1 LEU 105 4.392 2.669 -4.052 823 HD12 LEU 105 2HD1 LEU 105 3.172 2.640 -5.328 824 HD13 LEU 105 3HD1 LEU 105 4.015 4.129 -4.970 825 HD21 LEU 105 3HD2 LEU 105 2.371 3.968 -1.375 826 HD22 LEU 105 1HD2 LEU 105 3.778 3.026 -1.854 827 HD23 LEU 105 2HD2 LEU 105 3.745 4.763 -2.163 828 H ARG 106 H ARG 106 -1.259 5.360 -5.089 829 HA ARG 106 HA ARG 106 -1.433 8.205 -5.219 830 HB2 ARG 106 1HB ARG 106 -3.201 5.940 -6.258 831 HB3 ARG 106 2HB ARG 106 -3.532 7.649 -6.605 832 HG2 ARG 106 1HG ARG 106 -1.369 7.977 -7.504 833 HG3 ARG 106 2HG ARG 106 -0.855 6.307 -7.188 834 HD2 ARG 106 1HD ARG 106 -2.109 5.488 -8.953 835 HD3 ARG 106 2HD ARG 106 -3.269 6.840 -8.916 836 HE ARG 106 HE ARG 106 -0.473 6.908 -9.998 837 HH11 ARG 106 2HH2 ARG 106 -3.660 8.588 -9.773 838 HH12 ARG 106 1HH2 ARG 106 -3.402 9.455 -11.234 839 HH21 ARG 106 2HH1 ARG 106 -0.010 8.476 -11.609 840 HH22 ARG 106 1HH1 ARG 106 -1.231 9.641 -12.006 841 H CYS 107 H CYS 107 -2.954 6.123 -2.904 842 HA CYS 107 HA CYS 107 -5.127 8.045 -2.363 843 HB2 CYS 107 1HB CYS 107 -5.301 5.459 -2.181 844 HB3 CYS 107 2HB CYS 107 -4.249 5.590 -0.759 845 HG CYS 107 HG CYS 107 -5.800 7.537 0.316 846 H LEU 108 H LEU 108 -1.771 7.427 -1.520 847 HA LEU 108 HA LEU 108 -1.933 8.660 1.159 848 HB2 LEU 108 1HB LEU 108 0.317 7.279 -0.362 849 HB3 LEU 108 2HB LEU 108 0.476 7.900 1.259 850 HG LEU 108 HG LEU 108 -1.460 5.697 0.425 851 HD11 LEU 108 1HD1 LEU 108 0.033 4.200 1.646 852 HD12 LEU 108 2HD1 LEU 108 0.851 4.975 0.272 853 HD13 LEU 108 3HD1 LEU 108 1.178 5.548 1.916 854 HD21 LEU 108 3HD2 LEU 108 -1.773 5.299 2.837 855 HD22 LEU 108 1HD2 LEU 108 -0.751 6.708 3.216 856 HD23 LEU 108 2HD2 LEU 108 -2.305 6.926 2.398 857 H TRP 109 H TRP 109 -1.071 9.448 -2.080 858 HA TRP 109 HA TRP 109 0.704 11.598 -1.905 859 HB2 TRP 109 1HB TRP 109 -1.647 10.908 -3.719 860 HB3 TRP 109 2HB TRP 109 -0.622 12.232 -3.985 861 HD1 TRP 109 HD TRP 109 1.610 9.581 -2.881 862 HE1 TRP 109 1HE TRP 109 2.695 8.375 -4.835 863 HE3 TRP 109 3HE TRP 109 -1.490 11.203 -6.623 864 HZ2 TRP 109 2HZ TRP 109 2.363 8.253 -7.747 865 HZ3 TRP 109 3HZ TRP 109 -1.032 10.606 -8.964 866 HH2 TRP 109 HH TRP 109 0.828 9.048 -9.523 867 H SER 110 H SER 110 0.544 13.706 -1.294 868 HA SER 110 HA SER 110 -1.827 14.609 0.188 869 HB2 SER 110 1HB SER 110 0.701 14.928 0.730 870 HB3 SER 110 2HB SER 110 0.689 16.090 -0.607 871 HG SER 110 HG SER 110 -0.697 16.190 1.862 872 H THR 111 H THR 111 -2.758 16.814 -0.421 873 HA THR 111 HA THR 111 -2.581 17.420 -3.325 874 HB THR 111 HB THR 111 -4.661 18.486 -3.304 875 HG1 THR 111 1HG THR 111 -4.516 18.304 -0.490 876 HG21 THR 111 3HG2 THR 111 -4.878 16.043 -3.438 877 HG22 THR 111 1HG2 THR 111 -5.124 15.965 -1.680 878 HG23 THR 111 2HG2 THR 111 -6.284 16.827 -2.696 879 H LYS 112 H LYS 112 -2.901 20.100 -3.445 880 HA LYS 112 HA LYS 112 -1.763 21.830 -3.496 881 HB2 LYS 112 1HB LYS 112 -2.560 22.291 -1.326 882 HB3 LYS 112 2HB LYS 112 -1.279 21.325 -0.586 883 HG2 LYS 112 1HG LYS 112 0.378 22.882 -0.911 884 HG3 LYS 112 2HG LYS 112 -0.424 23.592 -2.324 885 HD2 LYS 112 1HD LYS 112 -0.558 25.167 -0.542 886 HD3 LYS 112 2HD LYS 112 -2.151 24.506 -0.971 887 HE2 LYS 112 1HE LYS 112 -2.052 22.978 0.979 888 HE3 LYS 112 2HE LYS 112 -0.501 23.690 1.459 889 HZ1 LYS 112 3HZ LYS 112 -2.650 24.560 2.479 890 HZ2 LYS 112 1HZ LYS 112 -1.553 25.703 1.954 891 HZ3 LYS 112 2HZ LYS 112 -2.904 25.345 1.070 892 HA PRO 113 HA PRO 113 2.423 20.399 -4.408 893 HB2 PRO 113 1HB PRO 113 3.409 22.770 -5.399 894 HB3 PRO 113 2HB PRO 113 2.380 21.609 -6.304 895 HG2 PRO 113 1HG PRO 113 1.536 24.132 -4.831 896 HG3 PRO 113 2HG PRO 113 1.070 23.635 -6.487 897 HD2 PRO 113 1HD PRO 113 -0.516 23.236 -4.373 898 HD3 PRO 113 2HD PRO 113 -0.436 21.993 -5.632 899 H VAL 114 H VAL 114 3.325 20.038 -2.451 900 HA VAL 114 HA VAL 114 4.794 22.213 -1.191 901 HB VAL 114 HB VAL 114 2.484 22.354 -0.308 902 HG11 VAL 114 1HG1 VAL 114 1.520 20.835 1.217 903 HG12 VAL 114 2HG1 VAL 114 1.926 19.910 -0.233 904 HG13 VAL 114 3HG1 VAL 114 2.949 19.796 1.205 905 HG21 VAL 114 3HG2 VAL 114 4.387 23.226 0.899 906 HG22 VAL 114 1HG2 VAL 114 3.051 22.747 1.944 907 HG23 VAL 114 2HG2 VAL 114 4.501 21.726 1.836 908 H ASP 115 H ASP 115 5.564 19.972 -2.682 909 HA ASP 115 HA ASP 115 6.662 17.770 -1.139 910 HB2 ASP 115 1HB ASP 115 6.552 17.548 -3.563 911 HB3 ASP 115 2HB ASP 115 7.393 19.072 -3.796 912 H THR 116 H THR 116 7.998 20.753 -2.508 913 HA THR 116 HA THR 116 9.435 21.388 -0.072 914 HB THR 116 HB THR 116 10.786 21.533 -2.812 915 HG1 THR 116 1HG THR 116 10.515 19.369 -2.114 916 HG21 THR 116 3HG2 THR 116 12.830 21.955 -1.482 917 HG22 THR 116 1HG2 THR 116 11.601 23.177 -1.160 918 HG23 THR 116 2HG2 THR 116 11.889 21.889 0.025 Start of MODEL 12 1 H1 MET 1 H MET 1 -19.637 -22.966 -3.403 2 HA MET 1 HA MET 1 -19.668 -24.242 -1.468 3 HB2 MET 1 1HB MET 1 -16.775 -24.510 -2.048 4 HB3 MET 1 2HB MET 1 -17.249 -24.585 -0.342 5 HG2 MET 1 1HG MET 1 -18.812 -26.388 -0.826 6 HG3 MET 1 2HG MET 1 -18.474 -26.260 -2.555 7 HE1 MET 1 3HE MET 1 -17.878 -28.756 -2.929 8 HE2 MET 1 1HE MET 1 -16.819 -29.694 -1.850 9 HE3 MET 1 2HE MET 1 -18.365 -29.056 -1.239 10 H TYR 2 H TYR 2 -16.725 -22.263 -0.689 11 HA TYR 2 HA TYR 2 -18.068 -21.189 1.510 12 HB2 TYR 2 1HB TYR 2 -15.437 -21.101 0.395 13 HB3 TYR 2 2HB TYR 2 -15.898 -19.449 0.672 14 HD1 TYR 2 2HD TYR 2 -17.101 -19.047 3.141 15 HD2 TYR 2 1HD TYR 2 -14.330 -22.216 2.135 16 HE1 TYR 2 2HE TYR 2 -16.466 -19.212 5.483 17 HE2 TYR 2 1HE TYR 2 -13.707 -22.391 4.505 18 HH TYR 2 HH TYR 2 -14.298 -21.775 6.655 19 H THR 3 H THR 3 -18.731 -19.066 2.045 20 HA THR 3 HA THR 3 -19.133 -17.063 -0.091 21 HB THR 3 HB THR 3 -21.046 -17.471 2.127 22 HG1 THR 3 1HG THR 3 -22.391 -18.649 1.063 23 HG21 THR 3 3HG2 THR 3 -22.664 -16.315 0.531 24 HG22 THR 3 1HG2 THR 3 -21.261 -15.325 0.917 25 HG23 THR 3 2HG2 THR 3 -21.317 -16.167 -0.632 26 H GLU 4 H GLU 4 -16.990 -17.299 1.597 27 HA GLU 4 HA GLU 4 -17.123 -15.964 4.163 28 HB2 GLU 4 1HB GLU 4 -14.684 -15.518 3.780 29 HB3 GLU 4 2HB GLU 4 -15.142 -17.223 3.706 30 HG2 GLU 4 1HG GLU 4 -14.932 -17.294 1.315 31 HG3 GLU 4 2HG GLU 4 -14.819 -15.532 1.183 32 H GLN 5 H GLN 5 -17.000 -13.729 4.642 33 HA GLN 5 HA GLN 5 -17.200 -11.867 2.353 34 HB2 GLN 5 1HB GLN 5 -17.512 -11.590 5.334 35 HB3 GLN 5 2HB GLN 5 -16.890 -10.235 4.420 36 HG2 GLN 5 1HG GLN 5 -19.149 -9.793 4.489 37 HG3 GLN 5 2HG GLN 5 -18.906 -10.420 2.869 38 HE21 GLN 5 1HE2 GLN 5 -19.304 -13.128 2.889 39 HE22 GLN 5 2HE2 GLN 5 -20.812 -13.481 3.697 40 HA PRO 6 HA PRO 6 -12.676 -11.501 2.507 41 HB2 PRO 6 1HB PRO 6 -12.312 -9.217 1.177 42 HB3 PRO 6 2HB PRO 6 -12.982 -10.650 0.354 43 HG2 PRO 6 1HG PRO 6 -14.547 -8.310 1.504 44 HG3 PRO 6 2HG PRO 6 -14.660 -9.015 -0.145 45 HD2 PRO 6 1HD PRO 6 -16.332 -9.758 1.921 46 HD3 PRO 6 2HD PRO 6 -15.820 -10.908 0.644 47 H ILE 7 H ILE 7 -11.140 -10.388 3.723 48 HA ILE 7 HA ILE 7 -12.164 -9.543 6.201 49 HB ILE 7 HB ILE 7 -9.346 -9.401 5.074 50 HG12 ILE 7 1HG1 ILE 7 -10.759 -11.281 7.026 51 HG13 ILE 7 2HG1 ILE 7 -10.142 -11.686 5.433 52 HG21 ILE 7 1HG2 ILE 7 -10.124 -8.991 7.993 53 HG22 ILE 7 2HG2 ILE 7 -8.511 -8.853 7.239 54 HG23 ILE 7 3HG2 ILE 7 -9.721 -7.659 6.902 55 HD11 ILE 7 3HD1 ILE 7 -8.606 -11.202 7.990 56 HD12 ILE 7 1HD1 ILE 7 -8.506 -12.564 6.859 57 HD13 ILE 7 2HD1 ILE 7 -7.801 -10.994 6.425 58 H ASP 8 H ASP 8 -13.412 -7.837 6.133 59 HA ASP 8 HA ASP 8 -14.368 -5.899 5.663 60 HB2 ASP 8 1HB ASP 8 -12.411 -5.723 7.626 61 HB3 ASP 8 2HB ASP 8 -12.092 -4.296 6.688 62 H LEU 9 H LEU 9 -12.846 -6.719 3.226 63 HA LEU 9 HA LEU 9 -11.788 -4.327 2.204 64 HB2 LEU 9 1HB LEU 9 -12.305 -7.051 1.231 65 HB3 LEU 9 2HB LEU 9 -12.640 -5.855 -0.011 66 HG LEU 9 HG LEU 9 -10.057 -5.960 1.583 67 HD11 LEU 9 1HD1 LEU 9 -10.285 -6.578 -1.331 68 HD12 LEU 9 2HD1 LEU 9 -9.032 -7.065 -0.163 69 HD13 LEU 9 3HD1 LEU 9 -10.633 -7.842 -0.156 70 HD21 LEU 9 3HD2 LEU 9 -9.092 -4.480 -0.089 71 HD22 LEU 9 1HD2 LEU 9 -10.682 -4.340 -0.886 72 HD23 LEU 9 2HD2 LEU 9 -10.410 -3.675 0.740 73 H VAL 10 H VAL 10 -12.446 -2.881 0.916 74 HA VAL 10 HA VAL 10 -15.012 -2.810 -0.383 75 HB VAL 10 HB VAL 10 -15.253 -0.339 0.431 76 HG11 VAL 10 1HG1 VAL 10 -16.969 -0.978 1.993 77 HG12 VAL 10 2HG1 VAL 10 -16.960 -2.157 0.675 78 HG13 VAL 10 3HG1 VAL 10 -16.230 -2.568 2.245 79 HG21 VAL 10 3HG2 VAL 10 -14.140 -1.573 2.984 80 HG22 VAL 10 1HG2 VAL 10 -13.253 -0.460 1.928 81 HG23 VAL 10 2HG2 VAL 10 -14.758 0.064 2.731 82 HA PRO 11 HA PRO 11 -11.830 -0.990 -2.990 83 HB2 PRO 11 1HB PRO 11 -13.788 -0.028 -4.842 84 HB3 PRO 11 2HB PRO 11 -12.639 -1.345 -5.056 85 HG2 PRO 11 1HG PRO 11 -15.437 -1.679 -4.819 86 HG3 PRO 11 2HG PRO 11 -14.209 -2.944 -4.537 87 HD2 PRO 11 1HD PRO 11 -15.673 -1.288 -2.491 88 HD3 PRO 11 2HD PRO 11 -15.084 -2.977 -2.428 89 H THR 12 H THR 12 -11.278 1.213 -3.763 90 HA THR 12 HA THR 12 -13.026 3.396 -3.362 91 HB THR 12 HB THR 12 -12.143 3.029 -0.952 92 HG1 THR 12 1HG THR 12 -11.409 5.460 -1.154 93 HG21 THR 12 3HG2 THR 12 -9.769 2.567 -1.444 94 HG22 THR 12 1HG2 THR 12 -9.598 4.219 -2.104 95 HG23 THR 12 2HG2 THR 12 -9.966 3.994 -0.414 96 H GLN 13 H GLN 13 -11.005 5.359 -3.562 97 HA GLN 13 HA GLN 13 -9.468 4.613 -5.907 98 HB2 GLN 13 1HB GLN 13 -11.784 6.559 -6.082 99 HB3 GLN 13 2HB GLN 13 -10.538 6.486 -7.302 100 HG2 GLN 13 1HG GLN 13 -11.159 4.055 -7.677 101 HG3 GLN 13 2HG GLN 13 -12.593 4.350 -6.681 102 HE21 GLN 13 1HE2 GLN 13 -12.801 3.548 -9.520 103 HE22 GLN 13 2HE2 GLN 13 -13.294 4.965 -10.396 104 HA PRO 14 HA PRO 14 -6.913 7.814 -4.300 105 HB2 PRO 14 1HB PRO 14 -6.266 8.949 -6.945 106 HB3 PRO 14 2HB PRO 14 -5.246 7.988 -5.847 107 HG2 PRO 14 1HG PRO 14 -6.198 7.049 -8.267 108 HG3 PRO 14 2HG PRO 14 -5.842 6.006 -6.861 109 HD2 PRO 14 1HD PRO 14 -8.533 7.107 -7.744 110 HD3 PRO 14 2HD PRO 14 -8.114 5.474 -7.182 111 H LEU 15 H LEU 15 -6.506 9.987 -3.959 112 HA LEU 15 HA LEU 15 -8.858 11.582 -3.921 113 HB2 LEU 15 1HB LEU 15 -5.939 11.872 -3.179 114 HB3 LEU 15 2HB LEU 15 -7.009 13.269 -3.147 115 HG LEU 15 HG LEU 15 -6.573 11.781 -1.041 116 HD11 LEU 15 1HD1 LEU 15 -8.063 13.802 -1.214 117 HD12 LEU 15 2HD1 LEU 15 -9.372 12.772 -1.816 118 HD13 LEU 15 3HD1 LEU 15 -8.807 12.564 -0.160 119 HD21 LEU 15 3HD2 LEU 15 -7.290 9.619 -1.803 120 HD22 LEU 15 1HD2 LEU 15 -8.257 10.178 -0.438 121 HD23 LEU 15 2HD2 LEU 15 -8.950 10.226 -2.065 122 HA PRO 16 HA PRO 16 -8.327 13.543 -7.827 123 HB2 PRO 16 1HB PRO 16 -9.952 15.703 -7.542 124 HB3 PRO 16 2HB PRO 16 -10.601 14.031 -7.544 125 HG2 PRO 16 1HG PRO 16 -10.073 15.837 -5.176 126 HG3 PRO 16 2HG PRO 16 -11.472 14.756 -5.474 127 HD2 PRO 16 1HD PRO 16 -9.242 14.128 -3.923 128 HD3 PRO 16 2HD PRO 16 -10.307 12.918 -4.673 129 H ASN 17 H ASN 17 -6.810 15.010 -8.698 130 HA ASN 17 HA ASN 17 -5.349 16.698 -8.909 131 HB2 ASN 17 1HB ASN 17 -6.128 18.155 -6.413 132 HB3 ASN 17 2HB ASN 17 -5.643 18.771 -7.975 133 HD21 ASN 17 1HD2 ASN 17 -8.287 17.655 -6.035 134 HD22 ASN 17 2HD2 ASN 17 -9.589 18.032 -7.166 135 H ALA 18 H ALA 18 -5.302 14.544 -6.490 136 HA ALA 18 HA ALA 18 -3.325 15.362 -4.647 137 HB1 ALA 18 1HB ALA 18 -4.770 13.472 -4.276 138 HB2 ALA 18 2HB ALA 18 -4.040 12.606 -5.646 139 HB3 ALA 18 3HB ALA 18 -3.080 12.957 -4.211 140 H SER 19 H SER 19 -1.047 14.868 -4.514 141 HA SER 19 HA SER 19 0.420 14.196 -6.970 142 HB2 SER 19 1HB SER 19 0.319 16.867 -5.504 143 HB3 SER 19 2HB SER 19 1.775 16.332 -6.358 144 HG SER 19 HG SER 19 -0.833 16.545 -7.514 145 H PHE 20 H PHE 20 2.409 13.330 -6.431 146 HA PHE 20 HA PHE 20 2.558 12.209 -3.836 147 HB2 PHE 20 1HB PHE 20 3.579 11.113 -5.829 148 HB3 PHE 20 2HB PHE 20 4.654 12.477 -6.050 149 HD1 PHE 20 2HD PHE 20 3.747 10.226 -3.115 150 HD2 PHE 20 1HD PHE 20 6.866 12.062 -5.461 151 HE1 PHE 20 2HE PHE 20 5.444 9.193 -1.660 152 HE2 PHE 20 1HE PHE 20 8.551 11.083 -3.965 153 HZ PHE 20 HZ PHE 20 7.823 9.651 -2.039 154 H ASP 21 H ASP 21 4.116 12.582 -2.148 155 HA ASP 21 HA ASP 21 5.169 15.353 -2.033 156 HB2 ASP 21 1HB ASP 21 4.000 13.727 0.267 157 HB3 ASP 21 2HB ASP 21 4.606 15.370 0.362 158 H ASN 22 H ASN 22 6.912 15.404 -0.284 159 HA ASN 22 HA ASN 22 8.782 13.277 -0.712 160 HB2 ASN 22 1HB ASN 22 8.869 15.942 0.258 161 HB3 ASN 22 2HB ASN 22 9.467 14.968 1.588 162 HD21 ASN 22 1HD2 ASN 22 11.800 15.104 1.484 163 HD22 ASN 22 2HD2 ASN 22 12.593 14.756 -0.023 164 H PHE 23 H PHE 23 6.193 12.386 0.748 165 HA PHE 23 HA PHE 23 7.029 11.685 3.462 166 HB2 PHE 23 1HB PHE 23 5.058 10.424 3.693 167 HB3 PHE 23 2HB PHE 23 4.596 11.867 2.831 168 HD1 PHE 23 1HD PHE 23 5.362 8.128 2.324 169 HD2 PHE 23 2HD PHE 23 3.347 11.674 0.823 170 HE1 PHE 23 1HE PHE 23 4.166 6.778 0.711 171 HE2 PHE 23 2HE PHE 23 2.145 10.283 -0.782 172 HZ PHE 23 HZ PHE 23 2.537 7.788 -0.845 173 H LYS 24 H LYS 24 7.597 9.547 4.183 174 HA LYS 24 HA LYS 24 8.161 7.600 2.015 175 HB2 LYS 24 1HB LYS 24 10.375 8.066 2.437 176 HB3 LYS 24 2HB LYS 24 10.160 8.711 3.866 177 HG2 LYS 24 1HG LYS 24 9.891 6.220 4.728 178 HG3 LYS 24 2HG LYS 24 10.294 5.812 3.065 179 HD2 LYS 24 1HD LYS 24 12.356 7.527 3.671 180 HD3 LYS 24 2HD LYS 24 11.970 6.878 5.285 181 HE2 LYS 24 1HE LYS 24 12.091 4.653 4.523 182 HE3 LYS 24 2HE LYS 24 12.279 5.168 2.818 183 HZ1 LYS 24 3HZ LYS 24 14.406 4.511 3.877 184 HZ2 LYS 24 1HZ LYS 24 14.458 6.058 3.381 185 HZ3 LYS 24 2HZ LYS 24 14.211 5.665 4.984 186 H LEU 25 H LEU 25 8.048 5.463 2.774 187 HA LEU 25 HA LEU 25 6.486 5.023 5.262 188 HB2 LEU 25 1HB LEU 25 5.574 2.992 4.040 189 HB3 LEU 25 2HB LEU 25 4.949 4.593 3.679 190 HG LEU 25 HG LEU 25 6.417 4.653 1.605 191 HD11 LEU 25 1HD1 LEU 25 7.851 2.618 2.279 192 HD12 LEU 25 2HD1 LEU 25 6.427 1.610 2.039 193 HD13 LEU 25 3HD1 LEU 25 7.144 2.516 0.683 194 HD21 LEU 25 3HD2 LEU 25 4.156 2.638 1.831 195 HD22 LEU 25 1HD2 LEU 25 4.069 4.360 1.391 196 HD23 LEU 25 2HD2 LEU 25 4.859 3.234 0.301 197 H THR 26 H THR 26 7.233 3.341 6.623 198 HA THR 26 HA THR 26 9.701 1.927 5.760 199 HB THR 26 HB THR 26 10.410 1.901 8.075 200 HG1 THR 26 1HG THR 26 9.277 3.657 9.396 201 HG21 THR 26 3HG2 THR 26 10.001 4.824 7.851 202 HG22 THR 26 1HG2 THR 26 11.466 3.891 8.082 203 HG23 THR 26 2HG2 THR 26 10.768 4.046 6.452 204 H CYS 27 H CYS 27 9.830 -0.327 6.995 205 HA CYS 27 HA CYS 27 7.375 -1.331 8.034 206 HB2 CYS 27 1HB CYS 27 6.489 -2.579 6.331 207 HB3 CYS 27 2HB CYS 27 6.986 -1.178 5.474 208 HG CYS 27 HG CYS 27 7.312 -3.181 4.002 209 H SER 28 H SER 28 7.554 -3.904 8.061 210 HA SER 28 HA SER 28 9.863 -4.638 9.500 211 HB2 SER 28 1HB SER 28 8.624 -6.967 8.894 212 HB3 SER 28 2HB SER 28 8.187 -5.855 10.184 213 HG SER 28 HG SER 28 6.324 -6.071 9.229 214 H ASN 29 H ASN 29 8.782 -5.343 6.148 215 HA ASN 29 HA ASN 29 11.340 -6.825 5.679 216 HB2 ASN 29 1HB ASN 29 9.211 -7.655 4.608 217 HB3 ASN 29 2HB ASN 29 9.269 -6.293 3.534 218 HD21 ASN 29 1HD2 ASN 29 9.560 -9.019 2.708 219 HD22 ASN 29 2HD2 ASN 29 11.132 -9.226 2.000 220 H THR 30 H THR 30 13.054 -5.423 5.524 221 HA THR 30 HA THR 30 12.768 -2.748 4.752 222 HB THR 30 HB THR 30 15.344 -2.997 4.403 223 HG1 THR 30 1HG THR 30 16.229 -4.820 4.946 224 HG21 THR 30 3HG2 THR 30 14.056 -3.671 7.089 225 HG22 THR 30 1HG2 THR 30 15.683 -2.990 6.828 226 HG23 THR 30 2HG2 THR 30 14.249 -2.029 6.408 227 H LYS 31 H LYS 31 13.007 -5.510 2.504 228 HA LYS 31 HA LYS 31 13.617 -3.664 0.287 229 HB2 LYS 31 1HB LYS 31 14.424 -5.922 0.017 230 HB3 LYS 31 2HB LYS 31 12.807 -6.578 0.269 231 HG2 LYS 31 1HG LYS 31 13.392 -6.632 -2.093 232 HG3 LYS 31 2HG LYS 31 12.003 -5.607 -1.822 233 HD2 LYS 31 1HD LYS 31 13.261 -4.588 -3.467 234 HD3 LYS 31 2HD LYS 31 13.544 -3.577 -2.071 235 HE2 LYS 31 1HE LYS 31 15.516 -5.784 -2.717 236 HE3 LYS 31 2HE LYS 31 15.384 -4.447 -3.856 237 HZ1 LYS 31 3HZ LYS 31 17.065 -3.925 -2.316 238 HZ2 LYS 31 1HZ LYS 31 15.805 -2.910 -2.004 239 HZ3 LYS 31 2HZ LYS 31 16.126 -4.207 -1.022 240 H PHE 32 H PHE 32 10.653 -5.045 1.800 241 HA PHE 32 HA PHE 32 8.950 -4.542 -0.451 242 HB2 PHE 32 1HB PHE 32 8.270 -5.963 1.464 243 HB3 PHE 32 2HB PHE 32 8.253 -4.536 2.497 244 HD1 PHE 32 1HD PHE 32 6.827 -5.601 -0.797 245 HD2 PHE 32 2HD PHE 32 5.969 -3.920 3.050 246 HE1 PHE 32 1HE PHE 32 4.420 -5.384 -1.419 247 HE2 PHE 32 2HE PHE 32 3.601 -3.728 2.447 248 HZ PHE 32 HZ PHE 32 2.816 -4.493 0.205 249 H ALA 33 H ALA 33 9.301 -2.641 2.592 250 HA ALA 33 HA ALA 33 7.896 -0.378 1.551 251 HB1 ALA 33 1HB ALA 33 9.974 -0.607 3.776 252 HB2 ALA 33 2HB ALA 33 9.058 0.876 3.431 253 HB3 ALA 33 3HB ALA 33 8.199 -0.585 3.924 254 H ASP 34 H ASP 34 11.210 -1.337 0.999 255 HA ASP 34 HA ASP 34 12.249 1.268 0.106 256 HB2 ASP 34 1HB ASP 34 13.819 -0.272 0.938 257 HB3 ASP 34 2HB ASP 34 13.139 -1.605 0.032 258 H ASP 35 H ASP 35 11.086 -1.707 -1.546 259 HA ASP 35 HA ASP 35 11.239 -0.674 -4.195 260 HB2 ASP 35 1HB ASP 35 9.639 -2.852 -2.837 261 HB3 ASP 35 2HB ASP 35 9.223 -2.339 -4.485 262 H LEU 36 H LEU 36 8.578 -0.690 -1.775 263 HA LEU 36 HA LEU 36 6.633 0.571 -3.442 264 HB2 LEU 36 1HB LEU 36 6.971 0.115 -0.500 265 HB3 LEU 36 2HB LEU 36 5.937 1.454 -0.969 266 HG LEU 36 HG LEU 36 4.502 0.062 -2.276 267 HD11 LEU 36 1HD1 LEU 36 6.044 -1.676 -3.102 268 HD12 LEU 36 2HD1 LEU 36 6.203 -2.321 -1.453 269 HD13 LEU 36 3HD1 LEU 36 4.638 -2.396 -2.293 270 HD21 LEU 36 3HD2 LEU 36 4.107 0.350 0.138 271 HD22 LEU 36 1HD2 LEU 36 3.482 -1.209 -0.448 272 HD23 LEU 36 2HD2 LEU 36 5.010 -1.150 0.471 273 H ASN 37 H ASN 37 9.133 2.006 -1.287 274 HA ASN 37 HA ASN 37 8.368 4.744 -1.676 275 HB2 ASN 37 1HB ASN 37 10.897 3.277 -0.848 276 HB3 ASN 37 2HB ASN 37 11.007 4.927 -1.273 277 HD21 ASN 37 1HD2 ASN 37 10.232 2.809 1.147 278 HD22 ASN 37 2HD2 ASN 37 9.735 3.920 2.403 279 H GLN 38 H GLN 38 10.401 2.496 -3.603 280 HA GLN 38 HA GLN 38 11.554 4.422 -5.356 281 HB2 GLN 38 1HB GLN 38 11.507 1.533 -4.930 282 HB3 GLN 38 2HB GLN 38 11.331 1.897 -6.638 283 HG2 GLN 38 1HG GLN 38 13.495 3.219 -4.948 284 HG3 GLN 38 2HG GLN 38 13.688 1.603 -5.599 285 HE21 GLN 38 1HE2 GLN 38 13.453 5.048 -6.490 286 HE22 GLN 38 2HE2 GLN 38 13.899 4.799 -8.157 287 H MET 39 H MET 39 8.641 2.359 -5.471 288 HA MET 39 HA MET 39 7.945 2.825 -8.118 289 HB2 MET 39 1HB MET 39 6.243 2.146 -5.690 290 HB3 MET 39 2HB MET 39 5.605 2.158 -7.336 291 HG2 MET 39 1HG MET 39 6.991 0.386 -8.040 292 HG3 MET 39 2HG MET 39 8.033 0.523 -6.632 293 HE1 MET 39 3HE MET 39 4.267 0.631 -5.226 294 HE2 MET 39 1HE MET 39 4.199 0.582 -6.990 295 HE3 MET 39 2HE MET 39 3.663 -0.817 -6.066 296 H THR 40 H THR 40 7.477 5.002 -5.457 297 HA THR 40 HA THR 40 5.739 6.744 -7.123 298 HB THR 40 HB THR 40 4.680 5.832 -5.150 299 HG1 THR 40 1HG THR 40 5.202 8.584 -4.985 300 HG21 THR 40 3HG2 THR 40 6.574 5.503 -3.647 301 HG22 THR 40 1HG2 THR 40 6.833 7.254 -3.530 302 HG23 THR 40 2HG2 THR 40 5.352 6.518 -2.871 303 H GLY 41 H GLY 41 8.961 6.379 -6.315 304 HA2 GLY 41 1HA GLY 41 10.650 7.786 -6.924 305 HA3 GLY 41 2HA GLY 41 9.466 9.059 -7.235 306 H PHE 42 H PHE 42 9.842 7.432 -4.066 307 HA PHE 42 HA PHE 42 9.993 9.928 -2.678 308 HB2 PHE 42 1HB PHE 42 9.110 8.041 -1.503 309 HB3 PHE 42 2HB PHE 42 10.475 7.038 -1.958 310 HD1 PHE 42 2HD PHE 42 9.852 10.278 0.001 311 HD2 PHE 42 1HD PHE 42 12.155 6.637 -0.468 312 HE1 PHE 42 2HE PHE 42 11.381 11.020 1.702 313 HE2 PHE 42 1HE PHE 42 13.616 7.331 1.344 314 HZ PHE 42 HZ PHE 42 13.251 9.560 2.445 315 H THR 43 H THR 43 11.667 11.059 -1.684 316 HA THR 43 HA THR 43 14.482 10.236 -1.851 317 HB THR 43 HB THR 43 13.273 12.878 -2.815 318 HG1 THR 43 1HG THR 43 14.466 10.874 -4.444 319 HG21 THR 43 3HG2 THR 43 16.135 11.889 -2.767 320 HG22 THR 43 1HG2 THR 43 15.579 13.247 -3.769 321 HG23 THR 43 2HG2 THR 43 15.435 13.337 -2.018 322 H LYS 44 H LYS 44 15.373 10.635 0.128 323 HA LYS 44 HA LYS 44 14.055 12.086 2.256 324 HB2 LYS 44 1HB LYS 44 16.696 10.805 1.698 325 HB3 LYS 44 2HB LYS 44 16.682 11.990 2.975 326 HG2 LYS 44 1HG LYS 44 14.568 10.508 3.794 327 HG3 LYS 44 2HG LYS 44 15.467 9.265 2.895 328 HD2 LYS 44 1HD LYS 44 17.488 10.344 4.371 329 HD3 LYS 44 2HD LYS 44 16.112 10.814 5.366 330 HE2 LYS 44 1HE LYS 44 16.871 8.779 6.278 331 HE3 LYS 44 2HE LYS 44 15.436 8.327 5.357 332 HZ1 LYS 44 3HZ LYS 44 16.876 7.463 3.630 333 HZ2 LYS 44 1HZ LYS 44 18.225 8.078 4.340 334 HZ3 LYS 44 2HZ LYS 44 17.423 6.866 5.064 335 HA PRO 45 HA PRO 45 15.210 12.994 4.131 336 HB2 PRO 45 1HB PRO 45 14.563 15.165 5.518 337 HB3 PRO 45 2HB PRO 45 16.280 14.723 5.212 338 HG2 PRO 45 1HG PRO 45 14.593 16.795 3.783 339 HG3 PRO 45 2HG PRO 45 16.312 16.914 4.273 340 HD2 PRO 45 1HD PRO 45 15.499 16.255 1.718 341 HD3 PRO 45 2HD PRO 45 17.011 15.621 2.436 342 H ALA 46 H ALA 46 13.271 12.121 4.663 343 HA ALA 46 HA ALA 46 11.156 12.784 2.967 344 HB1 ALA 46 1HB ALA 46 11.670 10.480 3.997 345 HB2 ALA 46 2HB ALA 46 10.853 11.074 5.459 346 HB3 ALA 46 3HB ALA 46 9.980 10.956 3.904 347 H SER 47 H SER 47 9.036 13.585 3.471 348 HA SER 47 HA SER 47 8.935 15.865 5.205 349 HB2 SER 47 1HB SER 47 7.706 15.411 2.992 350 HB3 SER 47 2HB SER 47 6.609 14.369 3.909 351 HG SER 47 HG SER 47 7.115 17.147 4.220 352 H ARG 48 H ARG 48 8.063 12.493 5.641 353 HA ARG 48 HA ARG 48 7.499 12.703 8.415 354 HB2 ARG 48 1HB ARG 48 5.195 11.802 8.315 355 HB3 ARG 48 2HB ARG 48 5.279 13.443 7.686 356 HG2 ARG 48 1HG ARG 48 5.220 12.634 5.375 357 HG3 ARG 48 2HG ARG 48 5.381 10.971 5.929 358 HD2 ARG 48 1HD ARG 48 3.279 10.818 5.750 359 HD3 ARG 48 2HD ARG 48 3.114 11.665 7.277 360 HE ARG 48 HE ARG 48 2.532 12.657 4.556 361 HH11 ARG 48 2HH2 ARG 48 2.721 13.557 8.024 362 HH12 ARG 48 1HH2 ARG 48 1.852 15.017 7.793 363 HH21 ARG 48 2HH1 ARG 48 1.421 14.632 4.284 364 HH22 ARG 48 1HH1 ARG 48 1.055 15.618 5.643 365 H GLU 49 H GLU 49 6.871 10.400 9.118 366 HA GLU 49 HA GLU 49 7.946 8.375 7.310 367 HB2 GLU 49 1HB GLU 49 8.795 8.592 10.216 368 HB3 GLU 49 2HB GLU 49 9.049 7.154 9.200 369 HG2 GLU 49 1HG GLU 49 10.762 8.079 7.950 370 HG3 GLU 49 2HG GLU 49 10.157 9.706 8.187 371 H LEU 50 H LEU 50 6.108 7.542 6.761 372 HA LEU 50 HA LEU 50 4.097 6.684 8.724 373 HB2 LEU 50 1HB LEU 50 4.361 5.808 5.840 374 HB3 LEU 50 2HB LEU 50 2.936 5.736 6.839 375 HG LEU 50 HG LEU 50 4.213 8.355 5.916 376 HD11 LEU 50 1HD1 LEU 50 1.812 6.887 4.785 377 HD12 LEU 50 2HD1 LEU 50 2.426 8.474 4.265 378 HD13 LEU 50 3HD1 LEU 50 3.416 7.035 3.999 379 HD21 LEU 50 3HD2 LEU 50 1.544 7.660 7.198 380 HD22 LEU 50 1HD2 LEU 50 2.846 8.632 7.925 381 HD23 LEU 50 2HD2 LEU 50 1.932 9.253 6.542 382 H SER 51 H SER 51 3.526 4.268 8.694 383 HA SER 51 HA SER 51 5.875 2.483 8.298 384 HB2 SER 51 1HB SER 51 5.674 3.010 10.716 385 HB3 SER 51 2HB SER 51 3.978 2.506 10.691 386 HG SER 51 HG SER 51 6.312 0.917 10.302 387 H VAL 52 H VAL 52 5.025 0.147 8.217 388 HA VAL 52 HA VAL 52 2.348 -0.141 7.027 389 HB VAL 52 HB VAL 52 4.927 -1.087 5.780 390 HG11 VAL 52 1HG1 VAL 52 3.120 -2.689 5.323 391 HG12 VAL 52 2HG1 VAL 52 2.055 -1.363 4.797 392 HG13 VAL 52 3HG1 VAL 52 3.491 -1.783 3.853 393 HG21 VAL 52 3HG2 VAL 52 3.046 0.998 4.690 394 HG22 VAL 52 1HG2 VAL 52 4.666 1.316 5.374 395 HG23 VAL 52 2HG2 VAL 52 4.497 0.378 3.892 396 H THR 53 H THR 53 1.498 -2.218 7.501 397 HA THR 53 HA THR 53 3.076 -4.155 9.177 398 HB THR 53 HB THR 53 1.000 -4.154 10.563 399 HG1 THR 53 1HG THR 53 0.570 -1.700 9.223 400 HG21 THR 53 3HG2 THR 53 2.831 -1.726 10.705 401 HG22 THR 53 1HG2 THR 53 1.947 -2.465 12.053 402 HG23 THR 53 2HG2 THR 53 3.234 -3.357 11.251 403 H PHE 54 H PHE 54 2.397 -6.277 9.038 404 HA PHE 54 HA PHE 54 0.779 -6.906 6.619 405 HB2 PHE 54 1HB PHE 54 2.839 -8.510 8.220 406 HB3 PHE 54 2HB PHE 54 1.960 -9.098 6.815 407 HD1 PHE 54 1HD PHE 54 2.100 -7.519 4.696 408 HD2 PHE 54 2HD PHE 54 4.991 -7.615 7.859 409 HE1 PHE 54 1HE PHE 54 3.779 -6.586 3.157 410 HE2 PHE 54 2HE PHE 54 6.764 -6.872 6.257 411 HZ PHE 54 HZ PHE 54 6.157 -6.354 3.892 412 H PHE 55 H PHE 55 -1.293 -7.815 7.009 413 HA PHE 55 HA PHE 55 -2.228 -8.065 9.547 414 HB2 PHE 55 1HB PHE 55 -3.194 -8.431 6.947 415 HB3 PHE 55 2HB PHE 55 -3.511 -9.956 7.717 416 HD1 PHE 55 2HD PHE 55 -3.759 -6.295 8.723 417 HD2 PHE 55 1HD PHE 55 -5.744 -10.101 8.419 418 HE1 PHE 55 2HE PHE 55 -5.815 -5.294 9.623 419 HE2 PHE 55 1HE PHE 55 -7.786 -9.106 9.393 420 HZ PHE 55 HZ PHE 55 -7.835 -6.699 9.967 421 HA PRO 56 HA PRO 56 -3.255 -9.111 11.050 422 HB2 PRO 56 1HB PRO 56 -3.177 -10.367 13.447 423 HB3 PRO 56 2HB PRO 56 -4.090 -11.055 12.086 424 HG2 PRO 56 1HG PRO 56 -1.412 -11.917 13.147 425 HG3 PRO 56 2HG PRO 56 -2.739 -12.907 12.482 426 HD2 PRO 56 1HD PRO 56 -0.444 -11.918 11.104 427 HD3 PRO 56 2HD PRO 56 -1.869 -12.686 10.376 428 H ASP 57 H ASP 57 -1.697 -7.368 10.853 429 HA ASP 57 HA ASP 57 -0.833 -6.476 13.385 430 HB2 ASP 57 1HB ASP 57 1.416 -7.319 12.159 431 HB3 ASP 57 2HB ASP 57 1.079 -6.083 11.044 432 H LEU 58 H LEU 58 -1.970 -4.550 13.352 433 HA LEU 58 HA LEU 58 -2.121 -2.998 10.884 434 HB2 LEU 58 1HB LEU 58 -4.495 -2.524 11.404 435 HB3 LEU 58 2HB LEU 58 -4.174 -4.143 10.827 436 HG LEU 58 HG LEU 58 -4.614 -3.485 13.774 437 HD11 LEU 58 1HD1 LEU 58 -6.560 -2.930 12.277 438 HD12 LEU 58 2HD1 LEU 58 -6.572 -4.622 11.742 439 HD13 LEU 58 3HD1 LEU 58 -6.887 -4.215 13.450 440 HD21 LEU 58 3HD2 LEU 58 -5.358 -5.955 13.823 441 HD22 LEU 58 1HD2 LEU 58 -4.597 -6.134 12.222 442 HD23 LEU 58 2HD2 LEU 58 -3.639 -5.717 13.667 443 H ASN 59 H ASN 59 -0.396 -2.929 13.268 444 HA ASN 59 HA ASN 59 -1.270 -0.697 14.947 445 HB2 ASN 59 1HB ASN 59 1.448 -2.033 14.524 446 HB3 ASN 59 2HB ASN 59 1.171 -0.684 15.604 447 HD21 ASN 59 1HD2 ASN 59 0.171 -4.001 14.977 448 HD22 ASN 59 2HD2 ASN 59 -0.396 -4.403 16.605 449 H GLY 60 H GLY 60 0.485 -1.160 11.916 450 HA2 GLY 60 1HA GLY 60 1.856 1.390 11.963 451 HA3 GLY 60 2HA GLY 60 1.713 0.283 10.586 452 H ASP 61 H ASP 61 1.585 3.022 10.234 453 HA ASP 61 HA ASP 61 -1.085 4.011 10.230 454 HB2 ASP 61 1HB ASP 61 1.499 5.077 9.524 455 HB3 ASP 61 2HB ASP 61 0.543 5.179 8.062 456 H VAL 62 H VAL 62 0.623 1.902 8.056 457 HA VAL 62 HA VAL 62 -1.837 1.720 6.427 458 HB VAL 62 HB VAL 62 1.016 1.626 5.385 459 HG11 VAL 62 1HG1 VAL 62 -1.629 1.225 3.912 460 HG12 VAL 62 2HG1 VAL 62 -0.076 1.522 3.117 461 HG13 VAL 62 3HG1 VAL 62 -0.287 0.072 4.077 462 HG21 VAL 62 3HG2 VAL 62 0.244 3.637 4.028 463 HG22 VAL 62 1HG2 VAL 62 -1.160 3.738 5.094 464 HG23 VAL 62 2HG2 VAL 62 0.457 3.933 5.757 465 H VAL 63 H VAL 63 -2.289 -0.337 5.690 466 HA VAL 63 HA VAL 63 -0.877 -2.535 7.144 467 HB VAL 63 HB VAL 63 -3.832 -2.258 6.585 468 HG11 VAL 63 1HG1 VAL 63 -4.059 -4.049 8.298 469 HG12 VAL 63 2HG1 VAL 63 -3.236 -4.584 6.834 470 HG13 VAL 63 3HG1 VAL 63 -2.283 -4.222 8.297 471 HG21 VAL 63 3HG2 VAL 63 -3.964 -1.904 9.146 472 HG22 VAL 63 1HG2 VAL 63 -2.228 -1.592 9.098 473 HG23 VAL 63 2HG2 VAL 63 -3.355 -0.536 8.232 474 H ALA 64 H ALA 64 -0.975 -4.605 6.020 475 HA ALA 64 HA ALA 64 -1.381 -4.425 3.069 476 HB1 ALA 64 1HB ALA 64 0.688 -5.922 4.697 477 HB2 ALA 64 2HB ALA 64 0.503 -6.037 2.933 478 HB3 ALA 64 3HB ALA 64 1.007 -4.506 3.696 479 H ILE 65 H ILE 65 -2.635 -5.953 2.192 480 HA ILE 65 HA ILE 65 -3.760 -8.080 3.905 481 HB ILE 65 HB ILE 65 -5.061 -6.300 1.828 482 HG12 ILE 65 1HG1 ILE 65 -4.867 -5.282 4.064 483 HG13 ILE 65 2HG1 ILE 65 -6.524 -5.577 3.594 484 HG21 ILE 65 1HG2 ILE 65 -7.196 -7.508 2.306 485 HG22 ILE 65 2HG2 ILE 65 -6.010 -8.477 1.432 486 HG23 ILE 65 3HG2 ILE 65 -6.265 -8.758 3.161 487 HD11 ILE 65 3HD1 ILE 65 -6.634 -7.526 5.128 488 HD12 ILE 65 1HD1 ILE 65 -4.932 -7.292 5.576 489 HD13 ILE 65 2HD1 ILE 65 -6.135 -6.061 5.981 490 H ASP 66 H ASP 66 -4.445 -10.005 2.575 491 HA ASP 66 HA ASP 66 -2.049 -10.738 1.171 492 HB2 ASP 66 1HB ASP 66 -2.958 -12.995 1.427 493 HB3 ASP 66 2HB ASP 66 -2.834 -12.102 2.935 494 H TYR 67 H TYR 67 -1.891 -11.533 -0.797 495 HA TYR 67 HA TYR 67 -3.395 -10.338 -2.817 496 HB2 TYR 67 1HB TYR 67 -1.161 -10.826 -3.220 497 HB3 TYR 67 2HB TYR 67 -1.273 -12.485 -2.695 498 HD1 TYR 67 1HD TYR 67 -2.335 -14.236 -4.151 499 HD2 TYR 67 2HD TYR 67 -1.612 -10.197 -5.491 500 HE1 TYR 67 1HE TYR 67 -2.784 -14.952 -6.465 501 HE2 TYR 67 2HE TYR 67 -2.119 -10.910 -7.846 502 HH TYR 67 HH TYR 67 -3.639 -13.805 -8.597 503 H ARG 68 H ARG 68 -4.184 -13.451 -1.211 504 HA ARG 68 HA ARG 68 -5.812 -14.479 -3.281 505 HB2 ARG 68 1HB ARG 68 -6.824 -15.798 -1.550 506 HB3 ARG 68 2HB ARG 68 -5.080 -15.772 -1.337 507 HG2 ARG 68 1HG ARG 68 -5.173 -14.745 0.658 508 HG3 ARG 68 2HG ARG 68 -6.532 -13.693 0.240 509 HD2 ARG 68 1HD ARG 68 -8.056 -15.692 0.442 510 HD3 ARG 68 2HD ARG 68 -6.670 -16.595 1.102 511 HE ARG 68 HE ARG 68 -6.647 -14.423 2.673 512 HH11 ARG 68 2HH2 ARG 68 -9.503 -16.419 1.771 513 HH12 ARG 68 1HH2 ARG 68 -10.360 -16.007 3.209 514 HH21 ARG 68 2HH1 ARG 68 -7.994 -13.821 4.481 515 HH22 ARG 68 1HH1 ARG 68 -9.535 -14.613 4.719 516 H HIS 69 H HIS 69 -6.360 -11.674 -1.274 517 HA HIS 69 HA HIS 69 -9.270 -11.745 -1.829 518 HB2 HIS 69 1HB HIS 69 -7.488 -10.049 -0.080 519 HB3 HIS 69 2HB HIS 69 -9.106 -9.525 -0.498 520 HD1 HIS 69 1HD HIS 69 -10.097 -12.930 -0.050 521 HD2 HIS 69 2HD HIS 69 -8.667 -9.825 2.452 522 HE1 HIS 69 1HE HIS 69 -10.825 -13.470 2.253 523 H TYR 70 H TYR 70 -6.616 -10.821 -3.643 524 HA TYR 70 HA TYR 70 -7.443 -8.206 -4.518 525 HB2 TYR 70 1HB TYR 70 -5.128 -8.970 -4.453 526 HB3 TYR 70 2HB TYR 70 -5.501 -10.238 -5.611 527 HD1 TYR 70 1HD TYR 70 -7.098 -7.151 -6.725 528 HD2 TYR 70 2HD TYR 70 -3.406 -9.335 -6.507 529 HE1 TYR 70 1HE TYR 70 -6.218 -5.848 -8.616 530 HE2 TYR 70 2HE TYR 70 -2.515 -8.115 -8.461 531 HH TYR 70 HH TYR 70 -3.031 -6.710 -10.120 532 H SER 71 H SER 71 -9.744 -8.842 -4.941 533 HA SER 71 HA SER 71 -10.265 -10.084 -7.517 534 HB2 SER 71 1HB SER 71 -12.197 -8.270 -6.069 535 HB3 SER 71 2HB SER 71 -12.539 -9.684 -7.061 536 HG SER 71 HG SER 71 -11.346 -10.847 -5.218 537 H ALA 72 H ALA 72 -11.262 -8.983 -9.336 538 HA ALA 72 HA ALA 72 -10.023 -6.509 -10.125 539 HB1 ALA 72 1HB ALA 72 -10.772 -8.322 -11.658 540 HB2 ALA 72 2HB ALA 72 -12.471 -7.956 -11.242 541 HB3 ALA 72 3HB ALA 72 -11.484 -6.762 -12.096 542 H SER 73 H SER 73 -12.730 -6.953 -8.025 543 HA SER 73 HA SER 73 -14.209 -4.622 -8.521 544 HB2 SER 73 1HB SER 73 -13.587 -5.749 -5.773 545 HB3 SER 73 2HB SER 73 -15.106 -5.084 -6.386 546 HG SER 73 HG SER 73 -15.353 -7.308 -6.454 547 H PHE 74 H PHE 74 -11.082 -5.168 -7.005 548 HA PHE 74 HA PHE 74 -10.961 -2.493 -5.755 549 HB2 PHE 74 1HB PHE 74 -9.015 -4.789 -5.500 550 HB3 PHE 74 2HB PHE 74 -9.227 -3.432 -4.450 551 HD1 PHE 74 1HD PHE 74 -11.831 -3.193 -3.433 552 HD2 PHE 74 2HD PHE 74 -9.954 -6.823 -4.817 553 HE1 PHE 74 1HE PHE 74 -13.279 -4.591 -1.880 554 HE2 PHE 74 2HE PHE 74 -11.576 -8.153 -3.456 555 HZ PHE 74 HZ PHE 74 -13.199 -7.027 -2.022 556 H LYS 75 H LYS 75 -10.762 -2.851 -8.719 557 HA LYS 75 HA LYS 75 -8.081 -3.202 -9.593 558 HB2 LYS 75 1HB LYS 75 -9.494 -3.798 -11.221 559 HB3 LYS 75 2HB LYS 75 -10.798 -2.800 -10.652 560 HG2 LYS 75 1HG LYS 75 -10.396 -2.004 -12.791 561 HG3 LYS 75 2HG LYS 75 -9.700 -0.802 -11.725 562 HD2 LYS 75 1HD LYS 75 -7.535 -2.479 -12.095 563 HD3 LYS 75 2HD LYS 75 -8.410 -2.713 -13.612 564 HE2 LYS 75 1HE LYS 75 -8.484 -0.094 -13.670 565 HE3 LYS 75 2HE LYS 75 -7.239 -0.193 -12.405 566 HZ1 LYS 75 3HZ LYS 75 -6.039 -1.690 -14.018 567 HZ2 LYS 75 1HZ LYS 75 -7.150 -1.242 -15.150 568 HZ3 LYS 75 2HZ LYS 75 -6.151 -0.109 -14.511 569 H LYS 76 H LYS 76 -10.064 -0.265 -9.004 570 HA LYS 76 HA LYS 76 -7.652 1.407 -9.511 571 HB2 LYS 76 1HB LYS 76 -10.548 2.172 -9.136 572 HB3 LYS 76 2HB LYS 76 -9.205 3.300 -9.432 573 HG2 LYS 76 1HG LYS 76 -8.720 1.752 -11.517 574 HG3 LYS 76 2HG LYS 76 -10.369 1.167 -11.227 575 HD2 LYS 76 1HD LYS 76 -11.175 3.518 -11.426 576 HD3 LYS 76 2HD LYS 76 -9.545 4.002 -11.909 577 HE2 LYS 76 1HE LYS 76 -9.592 2.642 -13.875 578 HE3 LYS 76 2HE LYS 76 -10.965 1.695 -13.283 579 HZ1 LYS 76 3HZ LYS 76 -12.398 3.528 -13.628 580 HZ2 LYS 76 1HZ LYS 76 -11.191 4.532 -14.118 581 HZ3 LYS 76 2HZ LYS 76 -11.597 3.202 -15.008 582 H GLY 77 H GLY 77 -8.755 -0.317 -6.945 583 HA2 GLY 77 1HA GLY 77 -6.941 -0.211 -5.305 584 HA3 GLY 77 2HA GLY 77 -7.363 1.477 -5.054 585 H ALA 78 H ALA 78 -7.463 0.188 -2.737 586 HA ALA 78 HA ALA 78 -10.255 0.015 -2.053 587 HB1 ALA 78 1HB ALA 78 -8.502 -2.473 -1.796 588 HB2 ALA 78 2HB ALA 78 -10.134 -2.233 -1.126 589 HB3 ALA 78 3HB ALA 78 -9.916 -2.261 -2.861 590 H LYS 79 H LYS 79 -10.401 -0.655 0.380 591 HA LYS 79 HA LYS 79 -8.076 0.026 2.008 592 HB2 LYS 79 1HB LYS 79 -9.408 1.816 3.193 593 HB3 LYS 79 2HB LYS 79 -8.659 2.186 1.653 594 HG2 LYS 79 1HG LYS 79 -10.639 3.214 1.410 595 HG3 LYS 79 2HG LYS 79 -11.046 1.696 0.624 596 HD2 LYS 79 1HD LYS 79 -11.992 0.940 2.834 597 HD3 LYS 79 2HD LYS 79 -11.690 2.553 3.447 598 HE2 LYS 79 1HE LYS 79 -13.086 3.372 1.392 599 HE3 LYS 79 2HE LYS 79 -13.651 1.685 1.303 600 HZ1 LYS 79 3HZ LYS 79 -14.321 1.964 3.677 601 HZ2 LYS 79 1HZ LYS 79 -13.965 3.547 3.594 602 HZ3 LYS 79 2HZ LYS 79 -15.150 2.908 2.623 603 H LEU 80 H LEU 80 -9.053 0.075 4.512 604 HA LEU 80 HA LEU 80 -10.783 -2.305 4.799 605 HB2 LEU 80 1HB LEU 80 -8.235 -2.491 5.243 606 HB3 LEU 80 2HB LEU 80 -8.536 -1.445 6.651 607 HG LEU 80 HG LEU 80 -10.090 -3.304 7.422 608 HD11 LEU 80 1HD1 LEU 80 -9.834 -5.507 6.543 609 HD12 LEU 80 2HD1 LEU 80 -10.338 -4.461 5.231 610 HD13 LEU 80 3HD1 LEU 80 -8.630 -4.974 5.356 611 HD21 LEU 80 3HD2 LEU 80 -8.044 -3.150 8.519 612 HD22 LEU 80 1HD2 LEU 80 -8.162 -4.849 8.089 613 HD23 LEU 80 2HD2 LEU 80 -7.111 -3.790 7.131 614 H LEU 81 H LEU 81 -11.180 -2.022 7.501 615 HA LEU 81 HA LEU 81 -13.371 -0.780 7.847 616 HB2 LEU 81 1HB LEU 81 -11.742 -2.019 9.517 617 HB3 LEU 81 2HB LEU 81 -11.551 -0.424 10.221 618 HG LEU 81 HG LEU 81 -14.321 -1.484 9.614 619 HD11 LEU 81 1HD1 LEU 81 -14.363 -2.416 11.904 620 HD12 LEU 81 2HD1 LEU 81 -13.265 -3.271 10.835 621 HD13 LEU 81 3HD1 LEU 81 -12.617 -2.137 12.055 622 HD21 LEU 81 3HD2 LEU 81 -14.113 0.892 10.359 623 HD22 LEU 81 1HD2 LEU 81 -15.022 -0.110 11.482 624 HD23 LEU 81 2HD2 LEU 81 -13.346 0.308 11.874 625 H HIS 82 H HIS 82 -10.514 1.031 8.905 626 HA HIS 82 HA HIS 82 -11.538 3.265 7.291 627 HB2 HIS 82 1HB HIS 82 -11.311 5.001 9.021 628 HB3 HIS 82 2HB HIS 82 -12.600 3.859 9.348 629 HD1 HIS 82 1HD HIS 82 -9.362 5.122 10.849 630 HD2 HIS 82 2HD HIS 82 -12.326 2.180 11.418 631 HE1 HIS 82 1HE HIS 82 -9.099 4.296 13.255 632 H LYS 83 H LYS 83 -9.045 1.335 7.881 633 HA LYS 83 HA LYS 83 -6.979 3.441 7.501 634 HB2 LYS 83 1HB LYS 83 -6.939 0.569 8.434 635 HB3 LYS 83 2HB LYS 83 -5.464 1.400 7.960 636 HG2 LYS 83 1HG LYS 83 -6.378 3.250 9.638 637 HG3 LYS 83 2HG LYS 83 -7.347 1.974 10.269 638 HD2 LYS 83 1HD LYS 83 -4.344 1.502 9.977 639 HD3 LYS 83 2HD LYS 83 -4.934 2.524 11.268 640 HE2 LYS 83 1HE LYS 83 -6.649 0.356 11.460 641 HE3 LYS 83 2HE LYS 83 -5.149 -0.421 10.953 642 HZ1 LYS 83 3HZ LYS 83 -5.375 1.425 13.252 643 HZ2 LYS 83 1HZ LYS 83 -5.506 -0.202 13.383 644 HZ3 LYS 83 2HZ LYS 83 -4.080 0.420 12.885 645 HA PRO 84 HA PRO 84 -6.519 2.035 3.305 646 HB2 PRO 84 1HB PRO 84 -3.938 2.624 2.699 647 HB3 PRO 84 2HB PRO 84 -5.115 3.907 3.126 648 HG2 PRO 84 1HG PRO 84 -3.089 2.578 4.915 649 HG3 PRO 84 2HG PRO 84 -3.391 4.330 4.725 650 HD2 PRO 84 1HD PRO 84 -4.438 2.778 6.733 651 HD3 PRO 84 2HD PRO 84 -5.284 4.205 6.107 652 H ILE 85 H ILE 85 -5.457 0.375 1.954 653 HA ILE 85 HA ILE 85 -3.844 -1.605 3.421 654 HB ILE 85 HB ILE 85 -5.044 -3.483 2.567 655 HG12 ILE 85 1HG1 ILE 85 -7.424 -2.483 1.395 656 HG13 ILE 85 2HG1 ILE 85 -6.191 -1.520 0.654 657 HG21 ILE 85 1HG2 ILE 85 -5.716 -2.444 4.624 658 HG22 ILE 85 2HG2 ILE 85 -7.020 -1.586 3.743 659 HG23 ILE 85 3HG2 ILE 85 -6.963 -3.366 3.821 660 HD11 ILE 85 3HD1 ILE 85 -6.616 -3.509 -0.689 661 HD12 ILE 85 1HD1 ILE 85 -4.982 -3.623 -0.016 662 HD13 ILE 85 2HD1 ILE 85 -6.309 -4.564 0.702 663 H VAL 86 H VAL 86 -2.577 -2.952 2.064 664 HA VAL 86 HA VAL 86 -2.248 -2.209 -0.784 665 HB VAL 86 HB VAL 86 0.139 -2.636 -0.651 666 HG11 VAL 86 1HG1 VAL 86 -0.692 -0.318 1.144 667 HG12 VAL 86 2HG1 VAL 86 0.794 -0.456 0.186 668 HG13 VAL 86 3HG1 VAL 86 -0.748 -0.339 -0.645 669 HG21 VAL 86 3HG2 VAL 86 0.333 -3.938 1.405 670 HG22 VAL 86 1HG2 VAL 86 1.425 -2.544 1.391 671 HG23 VAL 86 2HG2 VAL 86 -0.042 -2.478 2.366 672 H TRP 87 H TRP 87 -0.937 -4.147 -1.851 673 HA TRP 87 HA TRP 87 -2.125 -6.674 -0.815 674 HB2 TRP 87 1HB TRP 87 -1.076 -6.131 -3.621 675 HB3 TRP 87 2HB TRP 87 -1.886 -7.558 -3.024 676 HD1 TRP 87 HD TRP 87 -2.620 -4.250 -4.561 677 HE1 TRP 87 1HE TRP 87 -5.211 -3.940 -4.830 678 HE3 TRP 87 3HE TRP 87 -4.230 -7.947 -1.425 679 HZ2 TRP 87 2HZ TRP 87 -7.570 -5.136 -3.829 680 HZ3 TRP 87 3HZ TRP 87 -6.610 -8.264 -1.021 681 HH2 TRP 87 HH TRP 87 -8.313 -6.926 -2.280 682 H HIS 88 H HIS 88 -0.658 -8.153 -0.003 683 HA HIS 88 HA HIS 88 2.163 -8.003 -0.971 684 HB2 HIS 88 1HB HIS 88 3.124 -8.451 0.983 685 HB3 HIS 88 2HB HIS 88 2.097 -7.098 1.370 686 HD1 HIS 88 1HD HIS 88 3.394 -9.811 3.124 687 HD2 HIS 88 2HD HIS 88 -0.533 -8.526 2.380 688 HE1 HIS 88 1HE HIS 88 1.933 -11.058 4.762 689 H ILE 89 H ILE 89 3.248 -9.810 -0.986 690 HA ILE 89 HA ILE 89 1.945 -12.479 -0.882 691 HB ILE 89 HB ILE 89 3.755 -11.339 -3.070 692 HG12 ILE 89 1HG1 ILE 89 1.013 -12.627 -3.381 693 HG13 ILE 89 2HG1 ILE 89 1.257 -10.891 -3.290 694 HG21 ILE 89 1HG2 ILE 89 4.124 -13.385 -4.014 695 HG22 ILE 89 2HG2 ILE 89 4.278 -13.750 -2.293 696 HG23 ILE 89 3HG2 ILE 89 2.787 -14.157 -3.159 697 HD11 ILE 89 3HD1 ILE 89 2.670 -10.940 -5.317 698 HD12 ILE 89 1HD1 ILE 89 2.418 -12.694 -5.457 699 HD13 ILE 89 2HD1 ILE 89 1.045 -11.592 -5.619 700 H ASN 90 H ASN 90 3.024 -13.239 0.877 701 HA ASN 90 HA ASN 90 4.663 -13.845 2.261 702 HB2 ASN 90 1HB ASN 90 6.531 -14.906 1.318 703 HB3 ASN 90 2HB ASN 90 5.141 -15.220 0.325 704 HD21 ASN 90 1HD2 ASN 90 7.846 -12.804 0.463 705 HD22 ASN 90 2HD2 ASN 90 8.249 -12.962 -1.254 706 H GLN 91 H GLN 91 4.514 -10.943 1.891 707 HA GLN 91 HA GLN 91 5.456 -9.096 2.866 708 HB2 GLN 91 1HB GLN 91 7.858 -10.707 3.689 709 HB3 GLN 91 2HB GLN 91 7.452 -9.113 4.214 710 HG2 GLN 91 1HG GLN 91 5.402 -9.978 5.330 711 HG3 GLN 91 2HG GLN 91 5.850 -11.615 4.847 712 HE21 GLN 91 1HE2 GLN 91 8.594 -11.777 5.305 713 HE22 GLN 91 2HE2 GLN 91 8.920 -11.384 6.984 714 H ALA 92 H ALA 92 5.949 -9.989 0.003 715 HA ALA 92 HA ALA 92 8.375 -8.321 -0.518 716 HB1 ALA 92 1HB ALA 92 7.292 -10.634 -2.208 717 HB2 ALA 92 2HB ALA 92 8.687 -9.621 -2.595 718 HB3 ALA 92 3HB ALA 92 8.761 -10.705 -1.204 719 H THR 93 H THR 93 8.132 -7.340 -2.756 720 HA THR 93 HA THR 93 5.355 -7.142 -3.705 721 HB THR 93 HB THR 93 5.823 -4.950 -2.861 722 HG1 THR 93 1HG THR 93 5.646 -3.811 -4.810 723 HG21 THR 93 3HG2 THR 93 7.565 -3.534 -3.646 724 HG22 THR 93 1HG2 THR 93 8.320 -4.937 -2.883 725 HG23 THR 93 2HG2 THR 93 8.260 -4.828 -4.657 726 H THR 94 H THR 94 5.319 -7.051 -6.047 727 HA THR 94 HA THR 94 7.584 -7.850 -7.587 728 HB THR 94 HB THR 94 7.376 -9.929 -6.608 729 HG1 THR 94 1HG THR 94 6.160 -11.077 -8.493 730 HG21 THR 94 3HG2 THR 94 4.399 -9.742 -6.932 731 HG22 THR 94 1HG2 THR 94 5.268 -11.254 -6.518 732 HG23 THR 94 2HG2 THR 94 5.360 -9.873 -5.433 733 H LYS 95 H LYS 95 6.642 -8.258 -9.922 734 HA LYS 95 HA LYS 95 5.365 -5.958 -10.637 735 HB2 LYS 95 1HB LYS 95 6.656 -7.736 -12.011 736 HB3 LYS 95 2HB LYS 95 5.058 -8.449 -12.310 737 HG2 LYS 95 1HG LYS 95 4.329 -6.233 -13.245 738 HG3 LYS 95 2HG LYS 95 5.920 -5.581 -12.874 739 HD2 LYS 95 1HD LYS 95 5.881 -6.118 -15.201 740 HD3 LYS 95 2HD LYS 95 6.968 -7.267 -14.406 741 HE2 LYS 95 1HE LYS 95 5.437 -9.062 -14.569 742 HE3 LYS 95 2HE LYS 95 4.041 -7.972 -14.775 743 HZ1 LYS 95 3HZ LYS 95 4.797 -7.405 -16.923 744 HZ2 LYS 95 1HZ LYS 95 6.155 -8.373 -16.776 745 HZ3 LYS 95 2HZ LYS 95 4.655 -9.040 -16.842 746 H THR 96 H THR 96 3.836 -9.079 -10.042 747 HA THR 96 HA THR 96 1.182 -8.823 -10.583 748 HB THR 96 HB THR 96 2.512 -9.931 -8.070 749 HG1 THR 96 1HG THR 96 2.185 -11.167 -10.594 750 HG21 THR 96 3HG2 THR 96 0.783 -11.665 -8.152 751 HG22 THR 96 1HG2 THR 96 0.097 -10.056 -7.926 752 HG23 THR 96 2HG2 THR 96 0.001 -10.828 -9.521 753 H THR 97 H THR 97 2.808 -7.649 -7.531 754 HA THR 97 HA THR 97 0.267 -6.478 -6.636 755 HB THR 97 HB THR 97 1.691 -6.448 -4.457 756 HG1 THR 97 1HG THR 97 3.301 -8.095 -4.519 757 HG21 THR 97 3HG2 THR 97 -0.179 -8.071 -4.910 758 HG22 THR 97 1HG2 THR 97 0.991 -9.162 -5.676 759 HG23 THR 97 2HG2 THR 97 1.127 -8.772 -3.954 760 H PHE 98 H PHE 98 3.239 -5.565 -8.041 761 HA PHE 98 HA PHE 98 3.670 -2.964 -6.945 762 HB2 PHE 98 1HB PHE 98 5.516 -3.552 -8.144 763 HB3 PHE 98 2HB PHE 98 4.618 -4.588 -9.210 764 HD1 PHE 98 2HD PHE 98 4.952 -0.869 -8.644 765 HD2 PHE 98 1HD PHE 98 4.546 -4.089 -11.476 766 HE1 PHE 98 2HE PHE 98 5.096 0.749 -10.507 767 HE2 PHE 98 1HE PHE 98 4.712 -2.474 -13.332 768 HZ PHE 98 HZ PHE 98 4.989 -0.061 -12.867 769 H LYS 99 H LYS 99 2.117 -4.018 -9.982 770 HA LYS 99 HA LYS 99 1.157 -1.602 -10.931 771 HB2 LYS 99 1HB LYS 99 0.195 -4.469 -11.127 772 HB3 LYS 99 2HB LYS 99 -0.777 -3.190 -11.848 773 HG2 LYS 99 1HG LYS 99 2.103 -2.994 -12.544 774 HG3 LYS 99 2HG LYS 99 1.353 -4.496 -13.036 775 HD2 LYS 99 1HD LYS 99 -0.467 -3.148 -14.191 776 HD3 LYS 99 2HD LYS 99 0.466 -1.683 -13.785 777 HE2 LYS 99 1HE LYS 99 2.454 -2.782 -14.942 778 HE3 LYS 99 2HE LYS 99 1.361 -4.066 -15.510 779 HZ1 LYS 99 3HZ LYS 99 1.051 -1.176 -16.053 780 HZ2 LYS 99 1HZ LYS 99 1.774 -2.192 -17.074 781 HZ3 LYS 99 2HZ LYS 99 0.164 -2.374 -16.772 782 HA PRO 100 HA PRO 100 -2.859 -1.726 -8.461 783 HB2 PRO 100 1HB PRO 100 -3.376 -3.443 -6.470 784 HB3 PRO 100 2HB PRO 100 -3.570 -3.913 -8.186 785 HG2 PRO 100 1HG PRO 100 -1.169 -4.470 -6.435 786 HG3 PRO 100 2HG PRO 100 -2.114 -5.639 -7.393 787 HD2 PRO 100 1HD PRO 100 0.115 -4.560 -8.452 788 HD3 PRO 100 2HD PRO 100 -1.346 -4.753 -9.451 789 H ASN 101 H ASN 101 0.221 -2.376 -6.579 790 HA ASN 101 HA ASN 101 -0.585 -0.993 -4.248 791 HB2 ASN 101 1HB ASN 101 1.967 -1.989 -5.417 792 HB3 ASN 101 2HB ASN 101 2.118 -0.520 -4.516 793 HD21 ASN 101 1HD2 ASN 101 1.422 -3.916 -4.224 794 HD22 ASN 101 2HD2 ASN 101 1.494 -3.973 -2.471 795 H THR 102 H THR 102 0.724 0.218 -7.393 796 HA THR 102 HA THR 102 1.431 2.735 -6.354 797 HB THR 102 HB THR 102 2.098 3.286 -8.360 798 HG1 THR 102 1HG THR 102 0.955 3.408 -10.131 799 HG21 THR 102 3HG2 THR 102 2.547 1.576 -9.979 800 HG22 THR 102 1HG2 THR 102 2.714 0.887 -8.372 801 HG23 THR 102 2HG2 THR 102 1.267 0.547 -9.339 802 H TRP 103 H TRP 103 -1.758 1.515 -7.201 803 HA TRP 103 HA TRP 103 -3.188 4.008 -7.251 804 HB2 TRP 103 1HB TRP 103 -4.055 1.133 -6.742 805 HB3 TRP 103 2HB TRP 103 -5.147 2.477 -6.766 806 HD1 TRP 103 HD TRP 103 -3.166 0.279 -9.129 807 HE1 TRP 103 1HE TRP 103 -4.070 0.563 -11.507 808 HE3 TRP 103 3HE TRP 103 -6.142 4.317 -8.317 809 HZ2 TRP 103 2HZ TRP 103 -5.917 2.382 -12.879 810 HZ3 TRP 103 3HZ TRP 103 -7.419 5.367 -10.181 811 HH2 TRP 103 HH TRP 103 -7.318 4.388 -12.458 812 H CYS 104 H CYS 104 -2.173 1.737 -4.656 813 HA CYS 104 HA CYS 104 -3.667 3.111 -2.581 814 HB2 CYS 104 1HB CYS 104 -2.742 0.771 -2.320 815 HB3 CYS 104 2HB CYS 104 -1.103 1.478 -2.281 816 HG CYS 104 HG CYS 104 -1.972 0.871 0.168 817 H LEU 105 H LEU 105 -0.331 3.466 -3.952 818 HA LEU 105 HA LEU 105 0.532 5.335 -1.914 819 HB2 LEU 105 1HB LEU 105 1.513 4.884 -4.763 820 HB3 LEU 105 2HB LEU 105 2.382 5.823 -3.551 821 HG LEU 105 HG LEU 105 1.725 2.848 -3.313 822 HD11 LEU 105 1HD1 LEU 105 3.381 3.372 -5.129 823 HD12 LEU 105 2HD1 LEU 105 4.428 4.091 -3.880 824 HD13 LEU 105 3HD1 LEU 105 4.024 2.382 -3.799 825 HD21 LEU 105 3HD2 LEU 105 3.344 2.842 -1.465 826 HD22 LEU 105 1HD2 LEU 105 3.535 4.603 -1.601 827 HD23 LEU 105 2HD2 LEU 105 1.984 3.898 -1.100 828 H ARG 106 H ARG 106 -1.075 5.640 -5.072 829 HA ARG 106 HA ARG 106 -1.191 8.499 -5.204 830 HB2 ARG 106 1HB ARG 106 -2.903 6.249 -6.311 831 HB3 ARG 106 2HB ARG 106 -3.208 7.953 -6.704 832 HG2 ARG 106 1HG ARG 106 -1.114 8.285 -7.577 833 HG3 ARG 106 2HG ARG 106 -0.478 6.686 -7.097 834 HD2 ARG 106 1HD ARG 106 -1.637 5.621 -8.808 835 HD3 ARG 106 2HD ARG 106 -2.888 6.890 -8.894 836 HE ARG 106 HE ARG 106 -1.661 8.062 -10.378 837 HH11 ARG 106 2HH2 ARG 106 0.600 5.782 -8.810 838 HH12 ARG 106 1HH2 ARG 106 1.797 5.898 -10.018 839 HH21 ARG 106 2HH1 ARG 106 0.134 8.451 -11.806 840 HH22 ARG 106 1HH1 ARG 106 1.412 7.291 -11.917 841 H CYS 107 H CYS 107 -2.832 6.488 -2.940 842 HA CYS 107 HA CYS 107 -4.989 8.458 -2.518 843 HB2 CYS 107 1HB CYS 107 -4.524 5.653 -1.826 844 HB3 CYS 107 2HB CYS 107 -4.844 6.591 -0.363 845 HG CYS 107 HG CYS 107 -7.069 7.577 -1.007 846 H LEU 108 H LEU 108 -1.713 7.617 -1.180 847 HA LEU 108 HA LEU 108 -2.065 9.183 1.203 848 HB2 LEU 108 1HB LEU 108 0.331 8.226 -0.400 849 HB3 LEU 108 2HB LEU 108 0.481 9.098 1.101 850 HG LEU 108 HG LEU 108 0.810 6.674 1.152 851 HD11 LEU 108 1HD1 LEU 108 0.304 8.071 3.201 852 HD12 LEU 108 2HD1 LEU 108 -1.414 7.703 2.998 853 HD13 LEU 108 3HD1 LEU 108 -0.278 6.404 3.392 854 HD21 LEU 108 3HD2 LEU 108 -0.946 5.088 1.414 855 HD22 LEU 108 1HD2 LEU 108 -2.153 6.299 0.942 856 HD23 LEU 108 2HD2 LEU 108 -0.855 5.810 -0.194 857 H TRP 109 H TRP 109 -1.096 9.842 -2.128 858 HA TRP 109 HA TRP 109 0.470 12.105 -2.013 859 HB2 TRP 109 1HB TRP 109 -1.670 11.175 -3.970 860 HB3 TRP 109 2HB TRP 109 -0.629 12.498 -4.287 861 HD1 TRP 109 HD TRP 109 1.390 9.791 -2.737 862 HE1 TRP 109 1HE TRP 109 2.793 8.601 -4.540 863 HE3 TRP 109 3HE TRP 109 -1.111 11.378 -6.892 864 HZ2 TRP 109 2HZ TRP 109 2.777 8.314 -7.383 865 HZ3 TRP 109 3HZ TRP 109 -0.447 10.579 -9.132 866 HH2 TRP 109 HH TRP 109 1.488 9.016 -9.383 867 H SER 110 H SER 110 0.177 14.231 -1.511 868 HA SER 110 HA SER 110 -2.296 15.042 -0.272 869 HB2 SER 110 1HB SER 110 -0.061 15.668 0.571 870 HB3 SER 110 2HB SER 110 0.262 16.558 -0.919 871 HG SER 110 HG SER 110 -1.752 17.056 1.029 872 H THR 111 H THR 111 -3.765 16.524 -1.018 873 HA THR 111 HA THR 111 -3.887 17.213 -3.842 874 HB THR 111 HB THR 111 -6.016 18.359 -2.914 875 HG1 THR 111 1HG THR 111 -5.617 18.400 -0.675 876 HG21 THR 111 3HG2 THR 111 -5.696 15.371 -2.328 877 HG22 THR 111 1HG2 THR 111 -7.152 16.229 -2.888 878 HG23 THR 111 2HG2 THR 111 -5.745 16.026 -3.958 879 H LYS 112 H LYS 112 -2.206 18.491 -4.431 880 HA LYS 112 HA LYS 112 -1.640 20.917 -2.842 881 HB2 LYS 112 1HB LYS 112 0.094 18.613 -3.558 882 HB3 LYS 112 2HB LYS 112 0.798 20.220 -3.724 883 HG2 LYS 112 1HG LYS 112 -0.683 19.470 -1.199 884 HG3 LYS 112 2HG LYS 112 1.007 19.008 -1.411 885 HD2 LYS 112 1HD LYS 112 0.129 21.895 -1.856 886 HD3 LYS 112 2HD LYS 112 0.436 21.275 -0.224 887 HE2 LYS 112 1HE LYS 112 2.703 20.734 -0.684 888 HE3 LYS 112 2HE LYS 112 2.478 20.888 -2.434 889 HZ1 LYS 112 3HZ LYS 112 2.291 23.172 -2.275 890 HZ2 LYS 112 1HZ LYS 112 2.183 23.195 -0.637 891 HZ3 LYS 112 2HZ LYS 112 3.616 22.802 -1.363 892 HA PRO 113 HA PRO 113 -2.284 22.226 -7.199 893 HB2 PRO 113 1HB PRO 113 -3.251 24.734 -6.618 894 HB3 PRO 113 2HB PRO 113 -4.267 23.266 -6.607 895 HG2 PRO 113 1HG PRO 113 -2.930 24.635 -4.240 896 HG3 PRO 113 2HG PRO 113 -4.614 24.027 -4.367 897 HD2 PRO 113 1HD PRO 113 -2.562 22.673 -3.184 898 HD3 PRO 113 2HD PRO 113 -3.903 21.804 -4.012 899 H VAL 114 H VAL 114 -0.945 23.562 -8.435 900 HA VAL 114 HA VAL 114 0.806 25.494 -7.105 901 HB VAL 114 HB VAL 114 2.025 23.372 -7.103 902 HG11 VAL 114 1HG1 VAL 114 1.146 22.359 -9.196 903 HG12 VAL 114 2HG1 VAL 114 2.122 23.504 -10.136 904 HG13 VAL 114 3HG1 VAL 114 2.909 22.333 -9.102 905 HG21 VAL 114 3HG2 VAL 114 4.134 24.268 -8.009 906 HG22 VAL 114 1HG2 VAL 114 3.220 25.546 -8.839 907 HG23 VAL 114 2HG2 VAL 114 3.226 25.469 -7.072 908 H ASP 115 H ASP 115 -0.816 26.755 -7.940 909 HA ASP 115 HA ASP 115 -1.367 28.458 -9.172 910 HB2 ASP 115 1HB ASP 115 0.894 28.312 -10.312 911 HB3 ASP 115 2HB ASP 115 0.056 27.457 -11.606 912 H THR 116 H THR 116 -2.215 25.383 -9.646 913 HA THR 116 HA THR 116 -4.078 24.326 -10.235 914 HB THR 116 HB THR 116 -5.342 27.026 -10.818 915 HG1 THR 116 1HG THR 116 -4.603 26.886 -8.677 916 HG21 THR 116 3HG2 THR 116 -6.538 24.284 -10.178 917 HG22 THR 116 1HG2 THR 116 -7.441 25.811 -10.281 918 HG23 THR 116 2HG2 THR 116 -6.644 25.150 -11.732 Start of MODEL 13 1 H1 MET 1 H MET 1 -16.807 -20.958 -2.344 2 HA MET 1 HA MET 1 -18.188 -22.436 -1.035 3 HB2 MET 1 1HB MET 1 -17.444 -24.537 -0.188 4 HB3 MET 1 2HB MET 1 -17.409 -24.522 -1.942 5 HG2 MET 1 1HG MET 1 -15.515 -25.716 -1.342 6 HG3 MET 1 2HG MET 1 -14.886 -24.136 -1.779 7 HE1 MET 1 3HE MET 1 -13.131 -26.288 -0.280 8 HE2 MET 1 1HE MET 1 -12.562 -24.644 -0.661 9 HE3 MET 1 2HE MET 1 -12.370 -25.296 0.981 10 H TYR 2 H TYR 2 -14.619 -21.864 -0.468 11 HA TYR 2 HA TYR 2 -15.423 -20.244 1.877 12 HB2 TYR 2 1HB TYR 2 -13.251 -21.018 2.202 13 HB3 TYR 2 2HB TYR 2 -12.805 -20.826 0.501 14 HD1 TYR 2 1HD TYR 2 -14.246 -18.570 3.224 15 HD2 TYR 2 2HD TYR 2 -11.315 -19.071 0.078 16 HE1 TYR 2 1HE TYR 2 -13.453 -16.288 3.604 17 HE2 TYR 2 2HE TYR 2 -10.502 -16.813 0.476 18 HH TYR 2 HH TYR 2 -11.778 -14.780 3.157 19 H THR 3 H THR 3 -16.821 -18.758 1.127 20 HA THR 3 HA THR 3 -16.126 -17.153 -1.278 21 HB THR 3 HB THR 3 -18.932 -17.966 -0.563 22 HG1 THR 3 1HG THR 3 -18.848 -19.778 -1.600 23 HG21 THR 3 3HG2 THR 3 -17.509 -17.379 -3.195 24 HG22 THR 3 1HG2 THR 3 -19.218 -17.837 -3.024 25 HG23 THR 3 2HG2 THR 3 -18.647 -16.314 -2.337 26 H GLU 4 H GLU 4 -15.759 -16.800 1.669 27 HA GLU 4 HA GLU 4 -17.925 -15.606 2.866 28 HB2 GLU 4 1HB GLU 4 -15.634 -16.790 3.620 29 HB3 GLU 4 2HB GLU 4 -15.264 -15.115 4.069 30 HG2 GLU 4 1HG GLU 4 -17.270 -15.046 5.455 31 HG3 GLU 4 2HG GLU 4 -17.777 -16.650 4.880 32 H GLN 5 H GLN 5 -17.713 -13.414 4.166 33 HA GLN 5 HA GLN 5 -17.294 -11.204 2.387 34 HB2 GLN 5 1HB GLN 5 -17.640 -9.784 4.317 35 HB3 GLN 5 2HB GLN 5 -18.851 -11.043 4.209 36 HG2 GLN 5 1HG GLN 5 -17.535 -12.349 5.942 37 HG3 GLN 5 2HG GLN 5 -16.427 -10.977 6.045 38 HE21 GLN 5 1HE2 GLN 5 -19.745 -12.075 6.788 39 HE22 GLN 5 2HE2 GLN 5 -20.031 -10.725 7.903 40 HA PRO 6 HA PRO 6 -12.888 -10.752 3.118 41 HB2 PRO 6 1HB PRO 6 -12.444 -8.317 2.103 42 HB3 PRO 6 2HB PRO 6 -13.101 -9.580 1.029 43 HG2 PRO 6 1HG PRO 6 -14.602 -7.331 2.398 44 HG3 PRO 6 2HG PRO 6 -14.778 -7.926 0.719 45 HD2 PRO 6 1HD PRO 6 -16.339 -8.680 2.936 46 HD3 PRO 6 2HD PRO 6 -16.245 -9.626 1.438 47 H ILE 7 H ILE 7 -11.279 -9.416 4.213 48 HA ILE 7 HA ILE 7 -12.316 -8.678 6.755 49 HB ILE 7 HB ILE 7 -9.556 -8.425 5.511 50 HG12 ILE 7 1HG1 ILE 7 -9.120 -10.180 7.384 51 HG13 ILE 7 2HG1 ILE 7 -10.855 -10.451 7.403 52 HG21 ILE 7 1HG2 ILE 7 -10.100 -8.249 8.483 53 HG22 ILE 7 2HG2 ILE 7 -8.649 -7.786 7.565 54 HG23 ILE 7 3HG2 ILE 7 -10.104 -6.792 7.483 55 HD11 ILE 7 3HD1 ILE 7 -9.047 -10.745 4.975 56 HD12 ILE 7 1HD1 ILE 7 -9.446 -12.062 6.085 57 HD13 ILE 7 2HD1 ILE 7 -10.738 -11.321 5.129 58 H ASP 8 H ASP 8 -13.850 -7.101 6.277 59 HA ASP 8 HA ASP 8 -14.829 -5.218 5.556 60 HB2 ASP 8 1HB ASP 8 -13.642 -4.767 7.843 61 HB3 ASP 8 2HB ASP 8 -12.733 -3.566 6.947 62 H LEU 9 H LEU 9 -13.010 -6.144 3.548 63 HA LEU 9 HA LEU 9 -11.350 -3.987 2.806 64 HB2 LEU 9 1HB LEU 9 -10.970 -6.581 2.549 65 HB3 LEU 9 2HB LEU 9 -11.924 -6.386 1.072 66 HG LEU 9 HG LEU 9 -10.292 -4.358 0.588 67 HD11 LEU 9 1HD1 LEU 9 -9.103 -4.264 2.703 68 HD12 LEU 9 2HD1 LEU 9 -8.698 -5.992 2.608 69 HD13 LEU 9 3HD1 LEU 9 -7.972 -4.856 1.466 70 HD21 LEU 9 3HD2 LEU 9 -9.240 -5.617 -0.856 71 HD22 LEU 9 1HD2 LEU 9 -8.758 -6.878 0.316 72 HD23 LEU 9 2HD2 LEU 9 -10.392 -6.877 -0.355 73 H VAL 10 H VAL 10 -11.889 -2.336 1.629 74 HA VAL 10 HA VAL 10 -14.312 -2.482 -0.091 75 HB VAL 10 HB VAL 10 -14.826 -0.174 0.762 76 HG11 VAL 10 1HG1 VAL 10 -16.257 -1.092 2.495 77 HG12 VAL 10 2HG1 VAL 10 -16.069 -2.362 1.278 78 HG13 VAL 10 3HG1 VAL 10 -15.152 -2.451 2.779 79 HG21 VAL 10 3HG2 VAL 10 -12.771 0.211 2.115 80 HG22 VAL 10 1HG2 VAL 10 -14.270 0.417 3.033 81 HG23 VAL 10 2HG2 VAL 10 -13.278 -1.033 3.236 82 HA PRO 11 HA PRO 11 -11.388 -0.723 -2.898 83 HB2 PRO 11 1HB PRO 11 -13.425 0.301 -4.634 84 HB3 PRO 11 2HB PRO 11 -12.329 -1.057 -4.910 85 HG2 PRO 11 1HG PRO 11 -15.095 -1.303 -4.465 86 HG3 PRO 11 2HG PRO 11 -13.895 -2.614 -4.294 87 HD2 PRO 11 1HD PRO 11 -15.199 -0.949 -2.164 88 HD3 PRO 11 2HD PRO 11 -14.604 -2.640 -2.121 89 H THR 12 H THR 12 -10.776 1.405 -3.650 90 HA THR 12 HA THR 12 -12.562 3.557 -3.414 91 HB THR 12 HB THR 12 -11.711 3.610 -1.084 92 HG1 THR 12 1HG THR 12 -11.435 5.788 -1.164 93 HG21 THR 12 3HG2 THR 12 -9.470 4.315 -0.546 94 HG22 THR 12 1HG2 THR 12 -9.363 2.811 -1.465 95 HG23 THR 12 2HG2 THR 12 -8.995 4.361 -2.261 96 H GLN 13 H GLN 13 -10.700 5.564 -3.926 97 HA GLN 13 HA GLN 13 -8.933 4.664 -6.067 98 HB2 GLN 13 1HB GLN 13 -11.407 6.373 -6.433 99 HB3 GLN 13 2HB GLN 13 -10.057 6.780 -7.390 100 HG2 GLN 13 1HG GLN 13 -10.471 5.112 -8.830 101 HG3 GLN 13 2HG GLN 13 -10.317 3.928 -7.552 102 HE21 GLN 13 1HE2 GLN 13 -12.677 6.206 -8.982 103 HE22 GLN 13 2HE2 GLN 13 -14.085 5.237 -8.670 104 HA PRO 14 HA PRO 14 -6.478 7.960 -4.462 105 HB2 PRO 14 1HB PRO 14 -5.316 9.128 -6.635 106 HB3 PRO 14 2HB PRO 14 -4.998 7.432 -6.167 107 HG2 PRO 14 1HG PRO 14 -6.994 8.379 -8.239 108 HG3 PRO 14 2HG PRO 14 -5.669 7.175 -8.446 109 HD2 PRO 14 1HD PRO 14 -8.202 6.397 -7.833 110 HD3 PRO 14 2HD PRO 14 -6.817 5.591 -7.070 111 H LEU 15 H LEU 15 -6.267 10.182 -4.224 112 HA LEU 15 HA LEU 15 -8.747 11.632 -4.272 113 HB2 LEU 15 1HB LEU 15 -5.851 12.166 -3.512 114 HB3 LEU 15 2HB LEU 15 -7.043 13.441 -3.492 115 HG LEU 15 HG LEU 15 -6.394 12.059 -1.365 116 HD11 LEU 15 1HD1 LEU 15 -8.026 13.944 -1.457 117 HD12 LEU 15 2HD1 LEU 15 -9.304 12.807 -1.951 118 HD13 LEU 15 3HD1 LEU 15 -8.553 12.692 -0.345 119 HD21 LEU 15 3HD2 LEU 15 -7.948 10.352 -0.678 120 HD22 LEU 15 1HD2 LEU 15 -8.685 10.310 -2.287 121 HD23 LEU 15 2HD2 LEU 15 -6.980 9.822 -2.047 122 HA PRO 16 HA PRO 16 -8.015 13.793 -8.094 123 HB2 PRO 16 1HB PRO 16 -9.728 15.875 -7.838 124 HB3 PRO 16 2HB PRO 16 -10.329 14.187 -7.826 125 HG2 PRO 16 1HG PRO 16 -9.768 15.939 -5.408 126 HG3 PRO 16 2HG PRO 16 -11.248 14.999 -5.759 127 HD2 PRO 16 1HD PRO 16 -9.209 14.064 -4.197 128 HD3 PRO 16 2HD PRO 16 -10.208 12.985 -5.213 129 H ASN 17 H ASN 17 -6.663 15.605 -8.855 130 HA ASN 17 HA ASN 17 -5.025 17.175 -8.670 131 HB2 ASN 17 1HB ASN 17 -6.096 18.211 -6.041 132 HB3 ASN 17 2HB ASN 17 -5.238 19.054 -7.311 133 HD21 ASN 17 1HD2 ASN 17 -8.239 17.446 -6.500 134 HD22 ASN 17 2HD2 ASN 17 -9.234 18.176 -7.750 135 H ALA 18 H ALA 18 -5.053 14.558 -6.994 136 HA ALA 18 HA ALA 18 -3.419 14.820 -4.706 137 HB1 ALA 18 1HB ALA 18 -4.640 12.774 -5.264 138 HB2 ALA 18 2HB ALA 18 -3.601 12.503 -6.683 139 HB3 ALA 18 3HB ALA 18 -2.934 12.425 -5.043 140 H SER 19 H SER 19 -1.198 14.389 -4.348 141 HA SER 19 HA SER 19 0.738 14.675 -6.529 142 HB2 SER 19 1HB SER 19 1.590 16.504 -4.630 143 HB3 SER 19 2HB SER 19 0.826 16.910 -6.170 144 HG SER 19 HG SER 19 -0.602 16.516 -3.735 145 H PHE 20 H PHE 20 2.382 13.289 -6.000 146 HA PHE 20 HA PHE 20 2.576 12.100 -3.407 147 HB2 PHE 20 1HB PHE 20 3.625 11.090 -5.441 148 HB3 PHE 20 2HB PHE 20 4.711 12.464 -5.544 149 HD1 PHE 20 2HD PHE 20 3.721 10.610 -2.366 150 HD2 PHE 20 1HD PHE 20 6.818 11.469 -5.261 151 HE1 PHE 20 2HE PHE 20 5.435 9.722 -0.817 152 HE2 PHE 20 1HE PHE 20 8.474 10.550 -3.739 153 HZ PHE 20 HZ PHE 20 7.800 9.661 -1.485 154 H ASP 21 H ASP 21 3.850 12.665 -1.682 155 HA ASP 21 HA ASP 21 4.650 15.499 -1.416 156 HB2 ASP 21 1HB ASP 21 2.766 14.642 -0.045 157 HB3 ASP 21 2HB ASP 21 3.784 13.321 0.507 158 H ASN 22 H ASN 22 6.432 15.021 0.871 159 HA ASN 22 HA ASN 22 8.610 13.409 -0.366 160 HB2 ASN 22 1HB ASN 22 8.559 15.815 1.382 161 HB3 ASN 22 2HB ASN 22 9.631 14.537 1.943 162 HD21 ASN 22 1HD2 ASN 22 11.200 13.505 0.230 163 HD22 ASN 22 2HD2 ASN 22 11.955 14.752 -0.706 164 H PHE 23 H PHE 23 6.006 12.963 1.856 165 HA PHE 23 HA PHE 23 7.254 11.560 3.907 166 HB2 PHE 23 1HB PHE 23 5.205 10.510 4.436 167 HB3 PHE 23 2HB PHE 23 4.816 12.097 3.814 168 HD1 PHE 23 1HD PHE 23 5.018 8.459 2.745 169 HD2 PHE 23 2HD PHE 23 3.117 12.288 2.205 170 HE1 PHE 23 1HE PHE 23 3.539 7.480 1.032 171 HE2 PHE 23 2HE PHE 23 1.644 11.310 0.476 172 HZ PHE 23 HZ PHE 23 1.900 8.911 -0.169 173 H LYS 24 H LYS 24 7.628 9.348 4.349 174 HA LYS 24 HA LYS 24 8.377 7.709 1.964 175 HB2 LYS 24 1HB LYS 24 10.291 8.553 3.137 176 HB3 LYS 24 2HB LYS 24 9.654 8.066 4.715 177 HG2 LYS 24 1HG LYS 24 9.856 5.720 4.087 178 HG3 LYS 24 2HG LYS 24 10.353 6.192 2.441 179 HD2 LYS 24 1HD LYS 24 12.400 7.250 3.618 180 HD3 LYS 24 2HD LYS 24 11.863 6.359 5.049 181 HE2 LYS 24 1HE LYS 24 11.758 4.263 3.752 182 HE3 LYS 24 2HE LYS 24 12.211 5.116 2.273 183 HZ1 LYS 24 3HZ LYS 24 14.106 3.984 3.288 184 HZ2 LYS 24 1HZ LYS 24 14.370 5.601 3.291 185 HZ3 LYS 24 2HZ LYS 24 13.899 4.849 4.687 186 H LEU 25 H LEU 25 8.194 5.430 2.230 187 HA LEU 25 HA LEU 25 6.176 4.513 4.230 188 HB2 LEU 25 1HB LEU 25 7.129 3.119 1.691 189 HB3 LEU 25 2HB LEU 25 5.892 2.580 2.811 190 HG LEU 25 HG LEU 25 4.843 5.022 2.250 191 HD11 LEU 25 1HD1 LEU 25 6.345 4.244 -0.305 192 HD12 LEU 25 2HD1 LEU 25 5.094 5.506 -0.174 193 HD13 LEU 25 3HD1 LEU 25 6.632 5.696 0.657 194 HD21 LEU 25 3HD2 LEU 25 3.361 3.926 0.704 195 HD22 LEU 25 1HD2 LEU 25 4.530 2.592 0.443 196 HD23 LEU 25 2HD2 LEU 25 3.762 2.843 2.025 197 H THR 26 H THR 26 6.755 2.877 5.712 198 HA THR 26 HA THR 26 9.443 1.640 5.557 199 HB THR 26 HB THR 26 9.603 2.100 8.028 200 HG1 THR 26 1HG THR 26 7.617 2.751 8.745 201 HG21 THR 26 3HG2 THR 26 10.330 4.391 7.807 202 HG22 THR 26 1HG2 THR 26 10.724 3.541 6.299 203 HG23 THR 26 2HG2 THR 26 9.315 4.632 6.376 204 H CYS 27 H CYS 27 9.535 -0.358 7.038 205 HA CYS 27 HA CYS 27 7.165 -1.422 8.193 206 HB2 CYS 27 1HB CYS 27 6.601 -1.706 5.720 207 HB3 CYS 27 2HB CYS 27 8.034 -2.687 5.548 208 HG CYS 27 HG CYS 27 5.383 -3.163 7.494 209 H SER 28 H SER 28 7.603 -3.748 8.811 210 HA SER 28 HA SER 28 10.185 -4.571 9.661 211 HB2 SER 28 1HB SER 28 8.408 -5.684 10.616 212 HB3 SER 28 2HB SER 28 7.550 -5.858 9.082 213 HG SER 28 HG SER 28 10.000 -7.210 9.633 214 H ASN 29 H ASN 29 8.342 -5.614 6.720 215 HA ASN 29 HA ASN 29 10.704 -6.834 5.605 216 HB2 ASN 29 1HB ASN 29 8.361 -7.578 5.078 217 HB3 ASN 29 2HB ASN 29 8.167 -6.121 4.091 218 HD21 ASN 29 1HD2 ASN 29 8.830 -9.290 3.825 219 HD22 ASN 29 2HD2 ASN 29 9.923 -9.390 2.488 220 H THR 30 H THR 30 12.363 -5.503 5.258 221 HA THR 30 HA THR 30 12.227 -2.792 4.593 222 HB THR 30 HB THR 30 14.651 -3.094 3.909 223 HG1 THR 30 1HG THR 30 14.480 -5.700 4.937 224 HG21 THR 30 3HG2 THR 30 14.044 -2.588 6.237 225 HG22 THR 30 1HG2 THR 30 13.783 -4.306 6.585 226 HG23 THR 30 2HG2 THR 30 15.408 -3.714 6.190 227 H LYS 31 H LYS 31 12.840 -5.518 2.346 228 HA LYS 31 HA LYS 31 13.041 -4.023 -0.032 229 HB2 LYS 31 1HB LYS 31 13.547 -6.399 -0.028 230 HB3 LYS 31 2HB LYS 31 11.875 -6.803 0.385 231 HG2 LYS 31 1HG LYS 31 12.124 -7.320 -1.915 232 HG3 LYS 31 2HG LYS 31 11.127 -5.884 -1.848 233 HD2 LYS 31 1HD LYS 31 12.656 -5.547 -3.618 234 HD3 LYS 31 2HD LYS 31 13.234 -4.507 -2.322 235 HE2 LYS 31 1HE LYS 31 14.423 -7.193 -2.114 236 HE3 LYS 31 2HE LYS 31 14.609 -6.587 -3.752 237 HZ1 LYS 31 3HZ LYS 31 15.522 -5.143 -1.338 238 HZ2 LYS 31 1HZ LYS 31 16.464 -6.027 -2.340 239 HZ3 LYS 31 2HZ LYS 31 15.703 -4.663 -2.908 240 H PHE 32 H PHE 32 10.021 -5.369 1.449 241 HA PHE 32 HA PHE 32 8.254 -4.705 -0.542 242 HB2 PHE 32 1HB PHE 32 7.847 -5.915 1.643 243 HB3 PHE 32 2HB PHE 32 7.811 -4.339 2.428 244 HD1 PHE 32 1HD PHE 32 6.218 -5.441 -0.809 245 HD2 PHE 32 2HD PHE 32 5.577 -4.211 3.266 246 HE1 PHE 32 1HE PHE 32 3.769 -5.595 -1.153 247 HE2 PHE 32 2HE PHE 32 3.137 -4.357 2.911 248 HZ PHE 32 HZ PHE 32 2.233 -5.097 0.705 249 H ALA 33 H ALA 33 9.119 -2.566 2.210 250 HA ALA 33 HA ALA 33 7.537 -0.369 1.233 251 HB1 ALA 33 1HB ALA 33 8.135 -0.644 3.620 252 HB2 ALA 33 2HB ALA 33 9.861 -0.435 3.218 253 HB3 ALA 33 3HB ALA 33 8.727 0.906 2.984 254 H ASP 34 H ASP 34 10.898 -1.372 0.721 255 HA ASP 34 HA ASP 34 11.810 1.209 -0.226 256 HB2 ASP 34 1HB ASP 34 13.133 -0.996 0.549 257 HB3 ASP 34 2HB ASP 34 13.200 -1.285 -1.182 258 H ASP 35 H ASP 35 10.812 -1.742 -1.776 259 HA ASP 35 HA ASP 35 10.943 -1.084 -4.557 260 HB2 ASP 35 1HB ASP 35 10.391 -3.302 -3.138 261 HB3 ASP 35 2HB ASP 35 8.750 -2.807 -3.469 262 H LEU 36 H LEU 36 8.242 -0.821 -2.236 263 HA LEU 36 HA LEU 36 6.363 0.516 -3.903 264 HB2 LEU 36 1HB LEU 36 6.749 0.022 -0.982 265 HB3 LEU 36 2HB LEU 36 5.808 1.440 -1.365 266 HG LEU 36 HG LEU 36 4.182 0.184 -2.603 267 HD11 LEU 36 1HD1 LEU 36 5.847 -2.313 -2.091 268 HD12 LEU 36 2HD1 LEU 36 4.214 -2.283 -2.771 269 HD13 LEU 36 3HD1 LEU 36 5.552 -1.564 -3.675 270 HD21 LEU 36 3HD2 LEU 36 3.910 0.264 -0.161 271 HD22 LEU 36 1HD2 LEU 36 3.303 -1.272 -0.796 272 HD23 LEU 36 2HD2 LEU 36 4.877 -1.214 0.018 273 H ASN 37 H ASN 37 8.857 1.894 -1.692 274 HA ASN 37 HA ASN 37 8.186 4.617 -2.090 275 HB2 ASN 37 1HB ASN 37 10.674 3.088 -1.267 276 HB3 ASN 37 2HB ASN 37 10.817 4.762 -1.623 277 HD21 ASN 37 1HD2 ASN 37 10.145 2.580 0.777 278 HD22 ASN 37 2HD2 ASN 37 9.624 3.668 2.032 279 H GLN 38 H GLN 38 10.231 2.383 -3.954 280 HA GLN 38 HA GLN 38 11.552 4.270 -5.659 281 HB2 GLN 38 1HB GLN 38 11.439 1.394 -5.193 282 HB3 GLN 38 2HB GLN 38 11.269 1.681 -6.894 283 HG2 GLN 38 1HG GLN 38 13.471 3.134 -5.444 284 HG3 GLN 38 2HG GLN 38 13.623 1.397 -5.652 285 HE21 GLN 38 1HE2 GLN 38 14.480 0.626 -7.628 286 HE22 GLN 38 2HE2 GLN 38 14.643 1.657 -9.021 287 H MET 39 H MET 39 8.458 2.499 -5.777 288 HA MET 39 HA MET 39 7.901 3.091 -8.493 289 HB2 MET 39 1HB MET 39 6.059 2.428 -6.163 290 HB3 MET 39 2HB MET 39 5.522 2.559 -7.832 291 HG2 MET 39 1HG MET 39 6.615 0.662 -8.524 292 HG3 MET 39 2HG MET 39 7.813 0.723 -7.253 293 HE1 MET 39 3HE MET 39 4.026 1.082 -7.077 294 HE2 MET 39 1HE MET 39 3.465 -0.509 -6.547 295 HE3 MET 39 2HE MET 39 4.043 0.683 -5.358 296 H THR 40 H THR 40 7.247 4.883 -5.467 297 HA THR 40 HA THR 40 5.428 6.660 -6.884 298 HB THR 40 HB THR 40 4.668 5.961 -4.914 299 HG1 THR 40 1HG THR 40 5.388 8.653 -4.789 300 HG21 THR 40 3HG2 THR 40 6.656 5.326 -3.661 301 HG22 THR 40 1HG2 THR 40 7.066 7.044 -3.387 302 HG23 THR 40 2HG2 THR 40 5.608 6.312 -2.679 303 H GLY 41 H GLY 41 8.847 6.811 -5.926 304 HA2 GLY 41 1HA GLY 41 10.055 8.542 -7.270 305 HA3 GLY 41 2HA GLY 41 8.880 9.717 -6.727 306 H PHE 42 H PHE 42 9.489 7.673 -4.147 307 HA PHE 42 HA PHE 42 10.023 9.730 -2.472 308 HB2 PHE 42 1HB PHE 42 9.269 7.696 -1.548 309 HB3 PHE 42 2HB PHE 42 10.614 6.798 -2.262 310 HD1 PHE 42 2HD PHE 42 10.170 9.776 0.077 311 HD2 PHE 42 1HD PHE 42 12.357 6.136 -0.836 312 HE1 PHE 42 2HE PHE 42 11.804 10.334 1.742 313 HE2 PHE 42 1HE PHE 42 13.912 6.630 1.017 314 HZ PHE 42 HZ PHE 42 13.653 8.761 2.299 315 H THR 43 H THR 43 11.587 11.068 -1.960 316 HA THR 43 HA THR 43 14.433 10.318 -2.178 317 HB THR 43 HB THR 43 13.132 12.964 -2.985 318 HG1 THR 43 1HG THR 43 12.567 11.312 -4.424 319 HG21 THR 43 3HG2 THR 43 15.511 13.158 -2.339 320 HG22 THR 43 1HG2 THR 43 15.931 11.853 -3.474 321 HG23 THR 43 2HG2 THR 43 15.298 13.401 -4.075 322 H LYS 44 H LYS 44 15.707 11.416 -0.513 323 HA LYS 44 HA LYS 44 14.140 12.164 1.837 324 HB2 LYS 44 1HB LYS 44 16.765 10.924 1.264 325 HB3 LYS 44 2HB LYS 44 16.856 12.106 2.523 326 HG2 LYS 44 1HG LYS 44 14.633 10.642 3.320 327 HG3 LYS 44 2HG LYS 44 15.624 9.414 2.495 328 HD2 LYS 44 1HD LYS 44 17.548 10.044 3.879 329 HD3 LYS 44 2HD LYS 44 16.544 11.272 4.688 330 HE2 LYS 44 1HE LYS 44 15.034 9.510 5.494 331 HE3 LYS 44 2HE LYS 44 16.043 8.279 4.713 332 HZ1 LYS 44 3HZ LYS 44 16.981 10.145 6.800 333 HZ2 LYS 44 1HZ LYS 44 16.570 8.565 7.085 334 HZ3 LYS 44 2HZ LYS 44 17.861 8.943 6.116 335 HA PRO 45 HA PRO 45 15.365 12.967 3.864 336 HB2 PRO 45 1HB PRO 45 14.277 15.547 4.809 337 HB3 PRO 45 2HB PRO 45 15.428 14.474 5.660 338 HG2 PRO 45 1HG PRO 45 16.302 16.766 4.525 339 HG3 PRO 45 2HG PRO 45 17.257 15.262 4.323 340 HD2 PRO 45 1HD PRO 45 15.284 16.503 2.381 341 HD3 PRO 45 2HD PRO 45 16.923 15.868 2.047 342 H ALA 46 H ALA 46 13.501 11.945 4.513 343 HA ALA 46 HA ALA 46 11.120 12.510 2.987 344 HB1 ALA 46 1HB ALA 46 11.259 10.714 5.442 345 HB2 ALA 46 2HB ALA 46 10.155 10.640 4.044 346 HB3 ALA 46 3HB ALA 46 11.863 10.187 3.858 347 H SER 47 H SER 47 9.324 13.675 3.709 348 HA SER 47 HA SER 47 9.560 15.530 5.806 349 HB2 SER 47 1HB SER 47 8.038 15.605 3.802 350 HB3 SER 47 2HB SER 47 6.985 14.424 4.589 351 HG SER 47 HG SER 47 6.516 16.741 4.730 352 H ARG 48 H ARG 48 8.409 12.196 5.814 353 HA ARG 48 HA ARG 48 8.368 11.769 8.611 354 HB2 ARG 48 1HB ARG 48 5.815 11.348 8.642 355 HB3 ARG 48 2HB ARG 48 6.369 12.979 8.845 356 HG2 ARG 48 1HG ARG 48 5.487 13.741 6.906 357 HG3 ARG 48 2HG ARG 48 5.799 12.255 6.010 358 HD2 ARG 48 1HD ARG 48 3.906 11.173 6.809 359 HD3 ARG 48 2HD ARG 48 3.609 12.394 8.087 360 HE ARG 48 HE ARG 48 3.335 14.011 6.104 361 HH11 ARG 48 2HH2 ARG 48 1.949 10.838 6.455 362 HH12 ARG 48 1HH2 ARG 48 0.800 10.972 5.164 363 HH21 ARG 48 2HH1 ARG 48 1.693 14.360 4.501 364 HH22 ARG 48 1HH1 ARG 48 0.718 13.044 3.949 365 H GLU 49 H GLU 49 7.211 9.501 8.909 366 HA GLU 49 HA GLU 49 7.808 7.765 6.575 367 HB2 GLU 49 1HB GLU 49 9.058 7.707 9.342 368 HB3 GLU 49 2HB GLU 49 8.927 6.240 8.381 369 HG2 GLU 49 1HG GLU 49 10.312 7.078 6.651 370 HG3 GLU 49 2HG GLU 49 10.209 8.739 7.237 371 H LEU 50 H LEU 50 5.982 6.586 6.264 372 HA LEU 50 HA LEU 50 4.061 6.027 8.495 373 HB2 LEU 50 1HB LEU 50 3.809 5.731 5.464 374 HB3 LEU 50 2HB LEU 50 2.522 5.426 6.608 375 HG LEU 50 HG LEU 50 3.814 8.143 6.346 376 HD11 LEU 50 1HD1 LEU 50 1.384 7.132 4.811 377 HD12 LEU 50 2HD1 LEU 50 2.066 8.782 4.770 378 HD13 LEU 50 3HD1 LEU 50 2.989 7.426 4.113 379 HD21 LEU 50 3HD2 LEU 50 1.805 8.950 7.377 380 HD22 LEU 50 1HD2 LEU 50 0.991 7.385 7.186 381 HD23 LEU 50 2HD2 LEU 50 2.327 7.564 8.339 382 H SER 51 H SER 51 3.611 3.927 9.041 383 HA SER 51 HA SER 51 5.566 1.949 7.882 384 HB2 SER 51 1HB SER 51 4.343 2.215 10.645 385 HB3 SER 51 2HB SER 51 5.228 0.771 10.098 386 HG SER 51 HG SER 51 6.191 3.428 10.415 387 H VAL 52 H VAL 52 4.932 -0.134 7.413 388 HA VAL 52 HA VAL 52 2.017 -0.481 7.016 389 HB VAL 52 HB VAL 52 4.372 -1.735 5.614 390 HG11 VAL 52 1HG1 VAL 52 2.084 -2.880 5.357 391 HG12 VAL 52 2HG1 VAL 52 1.452 -1.365 4.719 392 HG13 VAL 52 3HG1 VAL 52 2.708 -2.232 3.827 393 HG21 VAL 52 3HG2 VAL 52 4.466 0.693 5.173 394 HG22 VAL 52 1HG2 VAL 52 4.021 -0.220 3.734 395 HG23 VAL 52 2HG2 VAL 52 2.777 0.643 4.639 396 H THR 53 H THR 53 1.114 -2.656 7.468 397 HA THR 53 HA THR 53 2.593 -4.438 9.365 398 HB THR 53 HB THR 53 0.537 -4.267 10.744 399 HG1 THR 53 1HG THR 53 0.220 -1.827 9.312 400 HG21 THR 53 3HG2 THR 53 2.836 -3.302 11.298 401 HG22 THR 53 1HG2 THR 53 2.261 -1.724 10.726 402 HG23 THR 53 2HG2 THR 53 1.502 -2.542 12.122 403 H PHE 54 H PHE 54 2.051 -6.569 9.088 404 HA PHE 54 HA PHE 54 0.322 -7.151 6.760 405 HB2 PHE 54 1HB PHE 54 2.303 -8.888 8.294 406 HB3 PHE 54 2HB PHE 54 1.430 -9.345 6.836 407 HD1 PHE 54 2HD PHE 54 1.768 -7.908 4.737 408 HD2 PHE 54 1HD PHE 54 4.397 -7.803 8.131 409 HE1 PHE 54 2HE PHE 54 3.578 -6.977 3.292 410 HE2 PHE 54 1HE PHE 54 6.243 -6.955 6.679 411 HZ PHE 54 HZ PHE 54 5.801 -6.518 4.240 412 H PHE 55 H PHE 55 -1.693 -8.036 7.067 413 HA PHE 55 HA PHE 55 -2.730 -8.162 9.569 414 HB2 PHE 55 1HB PHE 55 -3.703 -8.428 7.012 415 HB3 PHE 55 2HB PHE 55 -4.142 -9.966 7.707 416 HD1 PHE 55 1HD PHE 55 -4.363 -6.282 8.003 417 HD2 PHE 55 2HD PHE 55 -5.949 -10.038 9.380 418 HE1 PHE 55 1HE PHE 55 -6.276 -5.093 9.053 419 HE2 PHE 55 2HE PHE 55 -7.907 -8.858 10.353 420 HZ PHE 55 HZ PHE 55 -8.062 -6.376 10.195 421 HA PRO 56 HA PRO 56 -3.944 -8.866 11.064 422 HB2 PRO 56 1HB PRO 56 -4.393 -10.075 13.455 423 HB3 PRO 56 2HB PRO 56 -5.330 -10.447 11.977 424 HG2 PRO 56 1HG PRO 56 -3.072 -12.031 13.190 425 HG3 PRO 56 2HG PRO 56 -4.583 -12.627 12.465 426 HD2 PRO 56 1HD PRO 56 -2.099 -12.465 11.161 427 HD3 PRO 56 2HD PRO 56 -3.675 -12.538 10.330 428 H ASP 57 H ASP 57 -2.053 -7.576 10.905 429 HA ASP 57 HA ASP 57 -1.237 -6.687 13.509 430 HB2 ASP 57 1HB ASP 57 0.951 -7.593 12.357 431 HB3 ASP 57 2HB ASP 57 0.551 -6.535 11.026 432 H LEU 58 H LEU 58 -2.164 -4.628 13.463 433 HA LEU 58 HA LEU 58 -2.385 -3.147 10.956 434 HB2 LEU 58 1HB LEU 58 -4.836 -2.708 11.532 435 HB3 LEU 58 2HB LEU 58 -4.431 -4.203 10.738 436 HG LEU 58 HG LEU 58 -4.699 -4.165 13.747 437 HD11 LEU 58 1HD1 LEU 58 -6.701 -3.129 12.807 438 HD12 LEU 58 2HD1 LEU 58 -6.951 -4.526 11.739 439 HD13 LEU 58 3HD1 LEU 58 -7.055 -4.713 13.514 440 HD21 LEU 58 3HD2 LEU 58 -3.973 -6.332 13.127 441 HD22 LEU 58 1HD2 LEU 58 -5.707 -6.537 13.117 442 HD23 LEU 58 2HD2 LEU 58 -4.860 -6.302 11.588 443 H ASN 59 H ASN 59 -0.593 -2.818 13.040 444 HA ASN 59 HA ASN 59 -1.587 -0.695 14.836 445 HB2 ASN 59 1HB ASN 59 1.172 -1.930 14.405 446 HB3 ASN 59 2HB ASN 59 0.854 -0.564 15.458 447 HD21 ASN 59 1HD2 ASN 59 0.120 -3.982 14.932 448 HD22 ASN 59 2HD2 ASN 59 -0.655 -4.269 16.490 449 H GLY 60 H GLY 60 0.768 -0.939 12.121 450 HA2 GLY 60 1HA GLY 60 1.603 1.753 12.175 451 HA3 GLY 60 2HA GLY 60 1.791 0.630 10.819 452 H ASP 61 H ASP 61 1.458 3.289 10.272 453 HA ASP 61 HA ASP 61 -1.266 4.108 10.135 454 HB2 ASP 61 1HB ASP 61 1.303 5.323 9.449 455 HB3 ASP 61 2HB ASP 61 0.150 5.612 8.199 456 H VAL 62 H VAL 62 0.357 1.879 8.234 457 HA VAL 62 HA VAL 62 -1.882 1.860 6.331 458 HB VAL 62 HB VAL 62 1.035 1.483 5.555 459 HG11 VAL 62 1HG1 VAL 62 -1.543 1.247 3.942 460 HG12 VAL 62 2HG1 VAL 62 0.022 1.521 3.178 461 HG13 VAL 62 3HG1 VAL 62 -0.252 0.062 4.128 462 HG21 VAL 62 3HG2 VAL 62 -0.808 3.806 4.886 463 HG22 VAL 62 1HG2 VAL 62 0.690 3.855 5.832 464 HG23 VAL 62 2HG2 VAL 62 0.763 3.502 4.116 465 H VAL 63 H VAL 63 -2.286 -0.327 5.606 466 HA VAL 63 HA VAL 63 -1.017 -2.445 7.276 467 HB VAL 63 HB VAL 63 -3.998 -2.089 6.814 468 HG11 VAL 63 1HG1 VAL 63 -2.461 -3.904 8.725 469 HG12 VAL 63 2HG1 VAL 63 -4.231 -3.827 8.537 470 HG13 VAL 63 3HG1 VAL 63 -3.224 -4.456 7.237 471 HG21 VAL 63 3HG2 VAL 63 -3.400 -0.300 8.303 472 HG22 VAL 63 1HG2 VAL 63 -4.190 -1.573 9.232 473 HG23 VAL 63 2HG2 VAL 63 -2.418 -1.393 9.301 474 H ALA 64 H ALA 64 -1.331 -4.635 6.215 475 HA ALA 64 HA ALA 64 -1.446 -4.410 3.251 476 HB1 ALA 64 1HB ALA 64 0.868 -4.382 4.120 477 HB2 ALA 64 2HB ALA 64 0.565 -5.888 4.984 478 HB3 ALA 64 3HB ALA 64 0.541 -5.859 3.206 479 H ILE 65 H ILE 65 -2.534 -5.951 2.199 480 HA ILE 65 HA ILE 65 -3.813 -8.105 3.758 481 HB ILE 65 HB ILE 65 -4.788 -6.309 1.598 482 HG12 ILE 65 1HG1 ILE 65 -4.927 -5.880 4.121 483 HG13 ILE 65 2HG1 ILE 65 -6.371 -5.655 3.183 484 HG21 ILE 65 1HG2 ILE 65 -6.052 -8.971 2.359 485 HG22 ILE 65 2HG2 ILE 65 -6.866 -7.654 1.466 486 HG23 ILE 65 3HG2 ILE 65 -5.445 -8.462 0.779 487 HD11 ILE 65 3HD1 ILE 65 -5.694 -8.048 4.993 488 HD12 ILE 65 1HD1 ILE 65 -6.801 -6.729 5.374 489 HD13 ILE 65 2HD1 ILE 65 -7.220 -7.859 4.083 490 H ASP 66 H ASP 66 -3.839 -10.190 2.765 491 HA ASP 66 HA ASP 66 -1.616 -10.846 1.100 492 HB2 ASP 66 1HB ASP 66 -3.638 -12.278 2.579 493 HB3 ASP 66 2HB ASP 66 -3.677 -12.874 0.925 494 H TYR 67 H TYR 67 -1.483 -11.329 -1.057 495 HA TYR 67 HA TYR 67 -3.117 -10.212 -3.030 496 HB2 TYR 67 1HB TYR 67 -0.970 -10.856 -3.670 497 HB3 TYR 67 2HB TYR 67 -1.078 -12.439 -2.974 498 HD1 TYR 67 1HD TYR 67 -1.886 -10.355 -5.889 499 HD2 TYR 67 2HD TYR 67 -2.117 -14.309 -4.160 500 HE1 TYR 67 1HE TYR 67 -2.573 -11.314 -8.113 501 HE2 TYR 67 2HE TYR 67 -2.842 -15.235 -6.330 502 HH TYR 67 HH TYR 67 -3.892 -13.244 -8.963 503 H ARG 68 H ARG 68 -3.707 -13.211 -1.266 504 HA ARG 68 HA ARG 68 -5.506 -14.508 -2.932 505 HB2 ARG 68 1HB ARG 68 -6.229 -15.664 -1.026 506 HB3 ARG 68 2HB ARG 68 -4.604 -15.132 -0.615 507 HG2 ARG 68 1HG ARG 68 -5.762 -13.124 0.571 508 HG3 ARG 68 2HG ARG 68 -7.247 -14.046 0.400 509 HD2 ARG 68 1HD ARG 68 -6.320 -15.901 1.687 510 HD3 ARG 68 2HD ARG 68 -4.736 -15.088 1.765 511 HE ARG 68 HE ARG 68 -6.749 -13.347 2.769 512 HH11 ARG 68 2HH2 ARG 68 -4.842 -16.196 3.842 513 HH12 ARG 68 1HH2 ARG 68 -4.841 -15.648 5.492 514 HH21 ARG 68 2HH1 ARG 68 -6.699 -12.714 4.802 515 HH22 ARG 68 1HH1 ARG 68 -5.941 -13.615 6.077 516 H HIS 69 H HIS 69 -6.108 -11.475 -1.191 517 HA HIS 69 HA HIS 69 -9.017 -11.701 -1.614 518 HB2 HIS 69 1HB HIS 69 -7.195 -10.046 0.054 519 HB3 HIS 69 2HB HIS 69 -8.514 -9.145 -0.676 520 HD1 HIS 69 1HD HIS 69 -9.344 -12.695 0.603 521 HD2 HIS 69 2HD HIS 69 -9.450 -8.605 1.706 522 HE1 HIS 69 1HE HIS 69 -10.761 -12.530 2.690 523 H TYR 70 H TYR 70 -6.492 -10.852 -3.701 524 HA TYR 70 HA TYR 70 -7.214 -8.276 -4.556 525 HB2 TYR 70 1HB TYR 70 -4.996 -9.204 -4.802 526 HB3 TYR 70 2HB TYR 70 -5.592 -10.413 -5.936 527 HD1 TYR 70 2HD TYR 70 -7.171 -7.169 -6.577 528 HD2 TYR 70 1HD TYR 70 -3.637 -9.544 -7.255 529 HE1 TYR 70 2HE TYR 70 -6.525 -5.712 -8.436 530 HE2 TYR 70 1HE TYR 70 -3.088 -8.186 -9.244 531 HH TYR 70 HH TYR 70 -5.439 -5.880 -10.499 532 H SER 71 H SER 71 -9.525 -8.628 -4.720 533 HA SER 71 HA SER 71 -10.593 -9.911 -7.018 534 HB2 SER 71 1HB SER 71 -11.674 -9.387 -4.712 535 HB3 SER 71 2HB SER 71 -11.889 -7.734 -5.310 536 HG SER 71 HG SER 71 -13.635 -9.273 -5.402 537 H ALA 72 H ALA 72 -11.564 -8.990 -8.846 538 HA ALA 72 HA ALA 72 -10.396 -6.710 -10.115 539 HB1 ALA 72 1HB ALA 72 -11.314 -8.601 -11.285 540 HB2 ALA 72 2HB ALA 72 -12.951 -8.209 -10.708 541 HB3 ALA 72 3HB ALA 72 -12.077 -7.087 -11.790 542 H SER 73 H SER 73 -12.962 -6.789 -7.696 543 HA SER 73 HA SER 73 -14.208 -4.331 -8.211 544 HB2 SER 73 1HB SER 73 -13.485 -5.416 -5.468 545 HB3 SER 73 2HB SER 73 -14.947 -4.536 -5.958 546 HG SER 73 HG SER 73 -15.556 -6.621 -5.856 547 H PHE 74 H PHE 74 -11.036 -5.097 -6.818 548 HA PHE 74 HA PHE 74 -10.725 -2.392 -5.705 549 HB2 PHE 74 1HB PHE 74 -8.890 -4.781 -5.519 550 HB3 PHE 74 2HB PHE 74 -8.890 -3.348 -4.522 551 HD1 PHE 74 2HD PHE 74 -11.445 -2.898 -3.384 552 HD2 PHE 74 1HD PHE 74 -9.655 -6.671 -4.412 553 HE1 PHE 74 2HE PHE 74 -12.811 -4.059 -1.616 554 HE2 PHE 74 1HE PHE 74 -11.140 -7.810 -2.753 555 HZ PHE 74 HZ PHE 74 -12.709 -6.491 -1.393 556 H LYS 75 H LYS 75 -10.557 -2.936 -8.769 557 HA LYS 75 HA LYS 75 -7.834 -3.166 -9.524 558 HB2 LYS 75 1HB LYS 75 -9.032 -3.731 -11.325 559 HB3 LYS 75 2HB LYS 75 -10.463 -2.941 -10.753 560 HG2 LYS 75 1HG LYS 75 -10.040 -1.912 -12.793 561 HG3 LYS 75 2HG LYS 75 -9.446 -0.738 -11.628 562 HD2 LYS 75 1HD LYS 75 -7.182 -2.288 -12.087 563 HD3 LYS 75 2HD LYS 75 -8.032 -2.421 -13.625 564 HE2 LYS 75 1HE LYS 75 -8.132 0.104 -13.678 565 HE3 LYS 75 2HE LYS 75 -7.193 0.112 -12.159 566 HZ1 LYS 75 3HZ LYS 75 -5.401 -1.012 -13.360 567 HZ2 LYS 75 1HZ LYS 75 -6.294 -1.015 -14.748 568 HZ3 LYS 75 2HZ LYS 75 -5.764 0.392 -14.128 569 H LYS 76 H LYS 76 -9.636 -0.297 -8.556 570 HA LYS 76 HA LYS 76 -7.337 1.388 -9.454 571 HB2 LYS 76 1HB LYS 76 -10.190 2.097 -8.838 572 HB3 LYS 76 2HB LYS 76 -8.882 3.257 -9.251 573 HG2 LYS 76 1HG LYS 76 -8.598 1.751 -11.376 574 HG3 LYS 76 2HG LYS 76 -10.194 1.118 -10.925 575 HD2 LYS 76 1HD LYS 76 -11.090 3.438 -10.995 576 HD3 LYS 76 2HD LYS 76 -9.517 3.999 -11.569 577 HE2 LYS 76 1HE LYS 76 -10.382 3.635 -13.636 578 HE3 LYS 76 2HE LYS 76 -9.874 1.969 -13.321 579 HZ1 LYS 76 3HZ LYS 76 -12.178 1.527 -12.597 580 HZ2 LYS 76 1HZ LYS 76 -12.628 3.067 -13.035 581 HZ3 LYS 76 2HZ LYS 76 -12.086 2.024 -14.150 582 H GLY 77 H GLY 77 -7.804 -0.411 -6.883 583 HA2 GLY 77 1HA GLY 77 -6.247 -0.051 -5.064 584 HA3 GLY 77 2HA GLY 77 -6.859 1.600 -4.916 585 H ALA 78 H ALA 78 -6.900 0.135 -2.666 586 HA ALA 78 HA ALA 78 -9.744 0.045 -2.062 587 HB1 ALA 78 1HB ALA 78 -7.922 -2.368 -1.625 588 HB2 ALA 78 2HB ALA 78 -9.555 -2.198 -0.947 589 HB3 ALA 78 3HB ALA 78 -9.329 -2.286 -2.691 590 H LYS 79 H LYS 79 -9.972 -0.439 0.357 591 HA LYS 79 HA LYS 79 -7.792 0.407 2.088 592 HB2 LYS 79 1HB LYS 79 -9.331 2.144 3.117 593 HB3 LYS 79 2HB LYS 79 -8.603 2.577 1.577 594 HG2 LYS 79 1HG LYS 79 -10.596 2.579 0.444 595 HG3 LYS 79 2HG LYS 79 -11.227 1.229 1.314 596 HD2 LYS 79 1HD LYS 79 -11.583 2.623 3.253 597 HD3 LYS 79 2HD LYS 79 -11.111 4.066 2.349 598 HE2 LYS 79 1HE LYS 79 -13.039 3.770 0.859 599 HE3 LYS 79 2HE LYS 79 -13.398 2.181 1.555 600 HZ1 LYS 79 3HZ LYS 79 -14.812 3.965 2.386 601 HZ2 LYS 79 1HZ LYS 79 -13.999 3.237 3.608 602 HZ3 LYS 79 2HZ LYS 79 -13.515 4.721 3.055 603 H LEU 80 H LEU 80 -8.902 0.408 4.429 604 HA LEU 80 HA LEU 80 -10.584 -1.991 4.763 605 HB2 LEU 80 1HB LEU 80 -7.926 -1.977 5.239 606 HB3 LEU 80 2HB LEU 80 -8.385 -1.010 6.627 607 HG LEU 80 HG LEU 80 -9.985 -3.023 7.161 608 HD11 LEU 80 1HD1 LEU 80 -9.751 -4.157 4.987 609 HD12 LEU 80 2HD1 LEU 80 -8.017 -4.409 5.291 610 HD13 LEU 80 3HD1 LEU 80 -9.238 -5.181 6.325 611 HD21 LEU 80 3HD2 LEU 80 -6.980 -3.472 7.329 612 HD22 LEU 80 1HD2 LEU 80 -7.905 -2.427 8.428 613 HD23 LEU 80 2HD2 LEU 80 -8.253 -4.159 8.373 614 H LEU 81 H LEU 81 -11.230 -1.833 7.172 615 HA LEU 81 HA LEU 81 -13.232 -0.396 7.747 616 HB2 LEU 81 1HB LEU 81 -11.824 -2.041 9.209 617 HB3 LEU 81 2HB LEU 81 -11.352 -0.619 10.084 618 HG LEU 81 HG LEU 81 -14.294 -1.088 9.562 619 HD11 LEU 81 1HD1 LEU 81 -14.550 -2.374 11.562 620 HD12 LEU 81 2HD1 LEU 81 -13.411 -3.214 10.508 621 HD13 LEU 81 3HD1 LEU 81 -12.822 -2.298 11.933 622 HD21 LEU 81 3HD2 LEU 81 -14.534 0.097 11.720 623 HD22 LEU 81 1HD2 LEU 81 -12.778 0.204 11.888 624 HD23 LEU 81 2HD2 LEU 81 -13.613 1.081 10.585 625 H HIS 82 H HIS 82 -10.188 0.879 8.948 626 HA HIS 82 HA HIS 82 -11.114 3.598 8.124 627 HB2 HIS 82 1HB HIS 82 -10.508 4.675 10.171 628 HB3 HIS 82 2HB HIS 82 -11.705 3.428 10.475 629 HD1 HIS 82 1HD HIS 82 -8.502 4.644 11.851 630 HD2 HIS 82 2HD HIS 82 -10.583 0.993 11.446 631 HE1 HIS 82 1HE HIS 82 -7.490 3.073 13.539 632 H LYS 83 H LYS 83 -8.748 1.424 7.492 633 HA LYS 83 HA LYS 83 -6.671 3.508 7.205 634 HB2 LYS 83 1HB LYS 83 -6.508 0.649 8.283 635 HB3 LYS 83 2HB LYS 83 -5.114 1.563 7.736 636 HG2 LYS 83 1HG LYS 83 -6.239 3.465 9.320 637 HG3 LYS 83 2HG LYS 83 -6.950 2.078 10.101 638 HD2 LYS 83 1HD LYS 83 -3.996 2.295 9.539 639 HD3 LYS 83 2HD LYS 83 -4.718 3.116 10.939 640 HE2 LYS 83 1HE LYS 83 -5.562 0.958 11.792 641 HE3 LYS 83 2HE LYS 83 -4.717 0.117 10.474 642 HZ1 LYS 83 3HZ LYS 83 -2.641 1.020 11.309 643 HZ2 LYS 83 1HZ LYS 83 -3.376 1.901 12.432 644 HZ3 LYS 83 2HZ LYS 83 -3.407 0.248 12.551 645 HA PRO 84 HA PRO 84 -6.333 2.006 3.063 646 HB2 PRO 84 1HB PRO 84 -3.789 2.689 2.360 647 HB3 PRO 84 2HB PRO 84 -5.039 3.915 2.750 648 HG2 PRO 84 1HG PRO 84 -2.862 2.841 4.542 649 HG3 PRO 84 2HG PRO 84 -3.329 4.536 4.306 650 HD2 PRO 84 1HD PRO 84 -4.161 2.944 6.390 651 HD3 PRO 84 2HD PRO 84 -5.148 4.294 5.797 652 H ILE 85 H ILE 85 -5.224 0.428 1.651 653 HA ILE 85 HA ILE 85 -3.735 -1.637 3.129 654 HB ILE 85 HB ILE 85 -5.033 -3.466 2.460 655 HG12 ILE 85 1HG1 ILE 85 -7.210 -2.800 0.975 656 HG13 ILE 85 2HG1 ILE 85 -6.141 -1.562 0.361 657 HG21 ILE 85 1HG2 ILE 85 -7.132 -1.393 2.976 658 HG22 ILE 85 2HG2 ILE 85 -7.108 -3.102 3.417 659 HG23 ILE 85 3HG2 ILE 85 -6.015 -1.947 4.203 660 HD11 ILE 85 3HD1 ILE 85 -4.557 -3.351 -0.401 661 HD12 ILE 85 1HD1 ILE 85 -5.613 -4.576 0.337 662 HD13 ILE 85 2HD1 ILE 85 -6.181 -3.633 -1.039 663 H VAL 86 H VAL 86 -2.400 -2.935 1.895 664 HA VAL 86 HA VAL 86 -1.902 -2.244 -0.944 665 HB VAL 86 HB VAL 86 0.486 -2.997 -0.568 666 HG11 VAL 86 1HG1 VAL 86 -0.084 -0.663 -0.927 667 HG12 VAL 86 2HG1 VAL 86 -0.305 -0.433 0.836 668 HG13 VAL 86 3HG1 VAL 86 1.291 -0.837 0.165 669 HG21 VAL 86 3HG2 VAL 86 1.505 -2.760 1.636 670 HG22 VAL 86 1HG2 VAL 86 -0.063 -2.424 2.378 671 HG23 VAL 86 2HG2 VAL 86 0.269 -4.025 1.657 672 H TRP 87 H TRP 87 -0.891 -4.302 -2.044 673 HA TRP 87 HA TRP 87 -2.057 -6.706 -0.772 674 HB2 TRP 87 1HB TRP 87 -1.059 -6.544 -3.604 675 HB3 TRP 87 2HB TRP 87 -2.031 -7.740 -2.827 676 HD1 TRP 87 HD TRP 87 -2.602 -4.333 -4.601 677 HE1 TRP 87 1HE TRP 87 -5.113 -3.950 -4.764 678 HE3 TRP 87 3HE TRP 87 -4.151 -8.141 -1.599 679 HZ2 TRP 87 2HZ TRP 87 -7.519 -5.127 -3.681 680 HZ3 TRP 87 3HZ TRP 87 -6.477 -8.470 -1.170 681 HH2 TRP 87 HH TRP 87 -8.242 -7.025 -2.220 682 H HIS 88 H HIS 88 -0.544 -8.372 -0.381 683 HA HIS 88 HA HIS 88 2.310 -8.008 -1.014 684 HB2 HIS 88 1HB HIS 88 3.063 -8.797 1.113 685 HB3 HIS 88 2HB HIS 88 2.010 -7.439 1.420 686 HD1 HIS 88 1HD HIS 88 1.787 -11.417 1.801 687 HD2 HIS 88 2HD HIS 88 -0.214 -7.846 2.831 688 HE1 HIS 88 1HE HIS 88 0.479 -11.946 3.752 689 H ILE 89 H ILE 89 3.424 -10.120 -1.098 690 HA ILE 89 HA ILE 89 1.485 -12.402 -1.361 691 HB ILE 89 HB ILE 89 2.331 -11.032 -3.460 692 HG12 ILE 89 1HG1 ILE 89 2.560 -14.053 -3.639 693 HG13 ILE 89 2HG1 ILE 89 1.029 -13.207 -3.471 694 HG21 ILE 89 1HG2 ILE 89 4.457 -11.745 -4.382 695 HG22 ILE 89 2HG2 ILE 89 4.762 -11.187 -2.721 696 HG23 ILE 89 3HG2 ILE 89 4.723 -12.901 -3.060 697 HD11 ILE 89 3HD1 ILE 89 1.537 -11.909 -5.556 698 HD12 ILE 89 1HD1 ILE 89 2.993 -12.923 -5.784 699 HD13 ILE 89 2HD1 ILE 89 1.367 -13.647 -5.787 700 H ASN 90 H ASN 90 3.699 -11.684 0.564 701 HA ASN 90 HA ASN 90 4.621 -13.827 1.779 702 HB2 ASN 90 1HB ASN 90 6.858 -14.256 0.790 703 HB3 ASN 90 2HB ASN 90 5.563 -15.004 -0.060 704 HD21 ASN 90 1HD2 ASN 90 7.379 -11.934 -0.065 705 HD22 ASN 90 2HD2 ASN 90 7.692 -11.919 -1.822 706 H GLN 91 H GLN 91 3.953 -11.474 2.513 707 HA GLN 91 HA GLN 91 4.349 -9.385 3.214 708 HB2 GLN 91 1HB GLN 91 7.022 -10.631 3.925 709 HB3 GLN 91 2HB GLN 91 6.387 -9.146 4.619 710 HG2 GLN 91 1HG GLN 91 4.475 -10.359 5.599 711 HG3 GLN 91 2HG GLN 91 5.060 -11.862 4.925 712 HE21 GLN 91 1HE2 GLN 91 7.706 -11.961 5.326 713 HE22 GLN 91 2HE2 GLN 91 8.108 -11.735 7.055 714 H ALA 92 H ALA 92 5.188 -9.777 0.218 715 HA ALA 92 HA ALA 92 6.891 -7.409 0.076 716 HB1 ALA 92 1HB ALA 92 8.440 -9.461 0.072 717 HB2 ALA 92 2HB ALA 92 7.682 -9.829 -1.517 718 HB3 ALA 92 3HB ALA 92 8.575 -8.334 -1.296 719 H THR 93 H THR 93 7.267 -7.062 -2.396 720 HA THR 93 HA THR 93 4.760 -7.433 -3.861 721 HB THR 93 HB THR 93 5.081 -5.112 -3.038 722 HG1 THR 93 1HG THR 93 5.482 -4.775 -5.724 723 HG21 THR 93 3HG2 THR 93 6.808 -3.663 -4.013 724 HG22 THR 93 1HG2 THR 93 7.554 -4.947 -3.047 725 HG23 THR 93 2HG2 THR 93 7.555 -5.056 -4.813 726 H THR 94 H THR 94 5.221 -7.228 -6.272 727 HA THR 94 HA THR 94 7.745 -8.460 -7.161 728 HB THR 94 HB THR 94 6.458 -10.407 -8.065 729 HG1 THR 94 1HG THR 94 4.307 -9.319 -6.528 730 HG21 THR 94 3HG2 THR 94 6.146 -11.693 -6.044 731 HG22 THR 94 1HG2 THR 94 7.553 -10.643 -5.827 732 HG23 THR 94 2HG2 THR 94 6.028 -10.246 -5.034 733 H LYS 95 H LYS 95 7.427 -8.807 -9.726 734 HA LYS 95 HA LYS 95 6.105 -6.510 -10.880 735 HB2 LYS 95 1HB LYS 95 7.344 -8.978 -12.051 736 HB3 LYS 95 2HB LYS 95 6.174 -8.067 -13.012 737 HG2 LYS 95 1HG LYS 95 7.464 -5.942 -12.477 738 HG3 LYS 95 2HG LYS 95 8.725 -6.989 -11.785 739 HD2 LYS 95 1HD LYS 95 8.897 -8.146 -13.986 740 HD3 LYS 95 2HD LYS 95 7.632 -7.112 -14.640 741 HE2 LYS 95 1HE LYS 95 9.810 -6.284 -15.354 742 HE3 LYS 95 2HE LYS 95 8.996 -5.107 -14.313 743 HZ1 LYS 95 3HZ LYS 95 11.065 -7.005 -13.390 744 HZ2 LYS 95 1HZ LYS 95 11.335 -5.402 -13.742 745 HZ3 LYS 95 2HZ LYS 95 10.372 -5.811 -12.486 746 H THR 96 H THR 96 4.781 -9.630 -9.782 747 HA THR 96 HA THR 96 2.441 -9.505 -11.407 748 HB THR 96 HB THR 96 2.715 -10.748 -8.654 749 HG1 THR 96 1HG THR 96 3.398 -12.603 -9.924 750 HG21 THR 96 3HG2 THR 96 0.433 -10.772 -9.657 751 HG22 THR 96 1HG2 THR 96 1.085 -11.556 -11.108 752 HG23 THR 96 2HG2 THR 96 1.128 -12.391 -9.536 753 H THR 97 H THR 97 3.324 -8.059 -8.227 754 HA THR 97 HA THR 97 0.606 -6.940 -7.916 755 HB THR 97 HB THR 97 1.250 -7.046 -5.498 756 HG1 THR 97 1HG THR 97 3.113 -7.551 -4.922 757 HG21 THR 97 3HG2 THR 97 1.511 -9.665 -7.037 758 HG22 THR 97 1HG2 THR 97 1.507 -9.544 -5.277 759 HG23 THR 97 2HG2 THR 97 0.104 -8.996 -6.184 760 H PHE 98 H PHE 98 3.453 -5.838 -9.058 761 HA PHE 98 HA PHE 98 3.957 -3.477 -7.573 762 HB2 PHE 98 1HB PHE 98 5.756 -3.758 -8.825 763 HB3 PHE 98 2HB PHE 98 4.930 -4.773 -9.987 764 HD1 PHE 98 2HD PHE 98 5.315 -1.137 -9.093 765 HD2 PHE 98 1HD PHE 98 4.631 -4.044 -12.198 766 HE1 PHE 98 2HE PHE 98 5.677 0.613 -10.826 767 HE2 PHE 98 1HE PHE 98 5.043 -2.321 -13.913 768 HZ PHE 98 HZ PHE 98 5.576 0.016 -13.226 769 H LYS 99 H LYS 99 2.375 -3.767 -10.773 770 HA LYS 99 HA LYS 99 1.403 -1.230 -11.070 771 HB2 LYS 99 1HB LYS 99 0.551 -3.926 -11.943 772 HB3 LYS 99 2HB LYS 99 -0.660 -2.670 -12.125 773 HG2 LYS 99 1HG LYS 99 0.962 -1.217 -13.309 774 HG3 LYS 99 2HG LYS 99 2.111 -2.560 -13.369 775 HD2 LYS 99 1HD LYS 99 -0.719 -2.658 -14.542 776 HD3 LYS 99 2HD LYS 99 0.711 -2.134 -15.451 777 HE2 LYS 99 1HE LYS 99 1.812 -4.289 -14.998 778 HE3 LYS 99 2HE LYS 99 0.383 -4.867 -14.141 779 HZ1 LYS 99 3HZ LYS 99 0.619 -5.560 -16.501 780 HZ2 LYS 99 1HZ LYS 99 -0.827 -4.875 -16.152 781 HZ3 LYS 99 2HZ LYS 99 0.306 -4.019 -16.980 782 HA PRO 100 HA PRO 100 -2.682 -2.054 -8.666 783 HB2 PRO 100 1HB PRO 100 -2.609 -4.175 -6.816 784 HB3 PRO 100 2HB PRO 100 -3.445 -4.187 -8.362 785 HG2 PRO 100 1HG PRO 100 -0.840 -5.399 -7.638 786 HG3 PRO 100 2HG PRO 100 -1.992 -5.948 -8.862 787 HD2 PRO 100 1HD PRO 100 0.369 -4.678 -9.412 788 HD3 PRO 100 2HD PRO 100 -1.062 -4.593 -10.472 789 H ASN 101 H ASN 101 0.530 -2.786 -7.045 790 HA ASN 101 HA ASN 101 -0.312 -1.451 -4.605 791 HB2 ASN 101 1HB ASN 101 2.228 -2.543 -5.794 792 HB3 ASN 101 2HB ASN 101 2.319 -1.309 -4.583 793 HD21 ASN 101 1HD2 ASN 101 3.152 -4.132 -4.218 794 HD22 ASN 101 2HD2 ASN 101 2.024 -4.667 -2.937 795 H THR 102 H THR 102 1.085 -0.284 -7.689 796 HA THR 102 HA THR 102 1.978 2.183 -6.852 797 HB THR 102 HB THR 102 1.578 3.155 -8.859 798 HG1 THR 102 1HG THR 102 -0.087 0.938 -9.571 799 HG21 THR 102 3HG2 THR 102 2.120 0.236 -9.486 800 HG22 THR 102 1HG2 THR 102 2.484 1.596 -10.549 801 HG23 THR 102 2HG2 THR 102 3.341 1.448 -9.015 802 H TRP 103 H TRP 103 -1.341 1.355 -7.492 803 HA TRP 103 HA TRP 103 -2.677 3.800 -7.149 804 HB2 TRP 103 1HB TRP 103 -3.470 0.892 -6.701 805 HB3 TRP 103 2HB TRP 103 -4.615 2.172 -6.609 806 HD1 TRP 103 HD TRP 103 -2.770 0.108 -9.056 807 HE1 TRP 103 1HE TRP 103 -3.899 0.352 -11.348 808 HE3 TRP 103 3HE TRP 103 -5.444 4.308 -8.101 809 HZ2 TRP 103 2HZ TRP 103 -5.902 2.165 -12.542 810 HZ3 TRP 103 3HZ TRP 103 -6.927 5.332 -9.829 811 HH2 TRP 103 HH TRP 103 -7.158 4.244 -12.058 812 H CYS 104 H CYS 104 -0.874 2.186 -4.662 813 HA CYS 104 HA CYS 104 -2.970 2.769 -2.609 814 HB2 CYS 104 1HB CYS 104 -2.020 0.613 -2.228 815 HB3 CYS 104 2HB CYS 104 -0.368 1.175 -2.504 816 HG CYS 104 HG CYS 104 -2.544 2.271 -0.199 817 H LEU 105 H LEU 105 0.289 3.499 -3.950 818 HA LEU 105 HA LEU 105 0.895 5.603 -2.106 819 HB2 LEU 105 1HB LEU 105 1.758 5.201 -5.014 820 HB3 LEU 105 2HB LEU 105 2.460 6.289 -3.850 821 HG LEU 105 HG LEU 105 3.848 4.478 -3.951 822 HD11 LEU 105 1HD1 LEU 105 4.057 3.606 -1.762 823 HD12 LEU 105 2HD1 LEU 105 3.270 5.188 -1.584 824 HD13 LEU 105 3HD1 LEU 105 2.301 3.706 -1.490 825 HD21 LEU 105 3HD2 LEU 105 1.971 2.330 -3.629 826 HD22 LEU 105 1HD2 LEU 105 2.744 2.973 -5.145 827 HD23 LEU 105 2HD2 LEU 105 3.746 2.333 -3.842 828 H ARG 106 H ARG 106 -0.795 5.465 -5.295 829 HA ARG 106 HA ARG 106 -1.188 8.291 -5.375 830 HB2 ARG 106 1HB ARG 106 -3.041 6.218 -6.603 831 HB3 ARG 106 2HB ARG 106 -2.895 7.939 -7.034 832 HG2 ARG 106 1HG ARG 106 -0.477 7.461 -7.660 833 HG3 ARG 106 2HG ARG 106 -0.853 5.755 -7.507 834 HD2 ARG 106 1HD ARG 106 -1.504 5.851 -9.672 835 HD3 ARG 106 2HD ARG 106 -2.953 6.626 -9.022 836 HE ARG 106 HE ARG 106 -2.054 8.782 -9.424 837 HH11 ARG 106 2HH2 ARG 106 -0.584 6.128 -11.346 838 HH12 ARG 106 1HH2 ARG 106 0.131 7.249 -12.456 839 HH21 ARG 106 2HH1 ARG 106 -1.257 10.163 -11.079 840 HH22 ARG 106 1HH1 ARG 106 -0.373 9.508 -12.408 841 H CYS 107 H CYS 107 -2.767 6.066 -3.233 842 HA CYS 107 HA CYS 107 -5.052 7.892 -2.804 843 HB2 CYS 107 1HB CYS 107 -5.082 5.252 -2.788 844 HB3 CYS 107 2HB CYS 107 -4.422 5.440 -1.154 845 HG CYS 107 HG CYS 107 -7.244 6.619 -2.507 846 H LEU 108 H LEU 108 -1.946 6.911 -1.377 847 HA LEU 108 HA LEU 108 -2.274 8.401 1.088 848 HB2 LEU 108 1HB LEU 108 0.217 7.374 -0.337 849 HB3 LEU 108 2HB LEU 108 0.183 8.032 1.299 850 HG LEU 108 HG LEU 108 -1.248 5.489 0.449 851 HD11 LEU 108 1HD1 LEU 108 1.216 5.296 0.333 852 HD12 LEU 108 2HD1 LEU 108 1.343 5.875 2.007 853 HD13 LEU 108 3HD1 LEU 108 0.541 4.326 1.653 854 HD21 LEU 108 3HD2 LEU 108 -1.443 5.087 2.881 855 HD22 LEU 108 1HD2 LEU 108 -0.769 6.701 3.205 856 HD23 LEU 108 2HD2 LEU 108 -2.341 6.515 2.377 857 H TRP 109 H TRP 109 -1.298 9.271 -2.190 858 HA TRP 109 HA TRP 109 0.204 11.608 -1.735 859 HB2 TRP 109 1HB TRP 109 -1.741 10.820 -3.935 860 HB3 TRP 109 2HB TRP 109 -0.751 12.231 -3.999 861 HD1 TRP 109 HD TRP 109 1.477 9.674 -2.644 862 HE1 TRP 109 1HE TRP 109 2.852 8.528 -4.451 863 HE3 TRP 109 3HE TRP 109 -1.261 11.054 -6.770 864 HZ2 TRP 109 2HZ TRP 109 2.827 8.274 -7.332 865 HZ3 TRP 109 3HZ TRP 109 -0.518 10.402 -8.995 866 HH2 TRP 109 HH TRP 109 1.427 8.934 -9.318 867 H SER 110 H SER 110 -0.359 13.670 -1.150 868 HA SER 110 HA SER 110 -3.143 14.181 -0.220 869 HB2 SER 110 1HB SER 110 -0.469 15.560 0.251 870 HB3 SER 110 2HB SER 110 -2.017 16.307 0.672 871 HG SER 110 HG SER 110 -2.211 15.086 2.310 872 H THR 111 H THR 111 -4.160 16.178 -0.933 873 HA THR 111 HA THR 111 -3.644 16.809 -3.755 874 HB THR 111 HB THR 111 -5.788 17.918 -3.658 875 HG1 THR 111 1HG THR 111 -5.760 17.358 -0.856 876 HG21 THR 111 3HG2 THR 111 -5.707 15.401 -3.783 877 HG22 THR 111 1HG2 THR 111 -6.043 15.340 -2.044 878 HG23 THR 111 2HG2 THR 111 -7.230 16.055 -3.151 879 H LYS 112 H LYS 112 -4.034 19.470 -4.236 880 HA LYS 112 HA LYS 112 -3.059 21.176 -4.527 881 HB2 LYS 112 1HB LYS 112 -4.187 21.679 -2.409 882 HB3 LYS 112 2HB LYS 112 -2.715 21.289 -1.536 883 HG2 LYS 112 1HG LYS 112 -1.567 23.194 -2.763 884 HG3 LYS 112 2HG LYS 112 -3.097 23.504 -3.604 885 HD2 LYS 112 1HD LYS 112 -3.034 25.035 -1.861 886 HD3 LYS 112 2HD LYS 112 -4.189 23.774 -1.365 887 HE2 LYS 112 1HE LYS 112 -2.790 22.989 0.341 888 HE3 LYS 112 2HE LYS 112 -1.322 23.380 -0.557 889 HZ1 LYS 112 3HZ LYS 112 -1.422 24.813 1.274 890 HZ2 LYS 112 1HZ LYS 112 -1.716 25.702 -0.066 891 HZ3 LYS 112 2HZ LYS 112 -2.969 25.326 0.938 892 HA PRO 113 HA PRO 113 1.325 20.348 -4.928 893 HB2 PRO 113 1HB PRO 113 2.130 22.935 -5.678 894 HB3 PRO 113 2HB PRO 113 1.455 21.685 -6.769 895 HG2 PRO 113 1HG PRO 113 -0.050 23.931 -5.373 896 HG3 PRO 113 2HG PRO 113 -0.151 23.423 -7.089 897 HD2 PRO 113 1HD PRO 113 -1.915 22.719 -5.279 898 HD3 PRO 113 2HD PRO 113 -1.390 21.510 -6.489 899 H VAL 114 H VAL 114 3.420 21.563 -4.144 900 HA VAL 114 HA VAL 114 3.203 22.843 -1.538 901 HB VAL 114 HB VAL 114 5.167 21.112 -1.001 902 HG11 VAL 114 1HG1 VAL 114 3.624 19.907 0.444 903 HG12 VAL 114 2HG1 VAL 114 3.208 21.635 0.394 904 HG13 VAL 114 3HG1 VAL 114 2.239 20.463 -0.529 905 HG21 VAL 114 3HG2 VAL 114 4.894 19.716 -3.043 906 HG22 VAL 114 1HG2 VAL 114 4.643 18.806 -1.544 907 HG23 VAL 114 2HG2 VAL 114 3.244 19.290 -2.516 908 H ASP 115 H ASP 115 3.633 24.544 -2.973 909 HA ASP 115 HA ASP 115 6.174 24.366 -4.471 910 HB2 ASP 115 1HB ASP 115 3.606 24.819 -5.371 911 HB3 ASP 115 2HB ASP 115 4.231 26.458 -5.245 912 H THR 116 H THR 116 5.825 25.026 -1.714 913 HA THR 116 HA THR 116 6.679 26.219 -0.094 914 HB THR 116 HB THR 116 8.468 27.342 -2.245 915 HG1 THR 116 1HG THR 116 9.729 25.669 -1.583 916 HG21 THR 116 3HG2 THR 116 8.733 27.594 0.797 917 HG22 THR 116 1HG2 THR 116 10.013 27.957 -0.384 918 HG23 THR 116 2HG2 THR 116 8.538 28.932 -0.352 Start of MODEL 14 1 H1 MET 1 H MET 1 -13.988 -23.667 -4.293 2 HA MET 1 HA MET 1 -15.716 -21.873 -4.876 3 HB2 MET 1 1HB MET 1 -16.120 -24.336 -5.002 4 HB3 MET 1 2HB MET 1 -16.655 -24.329 -3.317 5 HG2 MET 1 1HG MET 1 -17.915 -22.606 -5.490 6 HG3 MET 1 2HG MET 1 -18.438 -24.255 -5.156 7 HE1 MET 1 3HE MET 1 -21.347 -21.959 -3.829 8 HE2 MET 1 1HE MET 1 -20.251 -21.544 -5.166 9 HE3 MET 1 2HE MET 1 -20.889 -23.201 -5.016 10 H TYR 2 H TYR 2 -16.873 -20.215 -3.961 11 HA TYR 2 HA TYR 2 -17.343 -18.581 -2.520 12 HB2 TYR 2 1HB TYR 2 -18.835 -20.207 -1.499 13 HB3 TYR 2 2HB TYR 2 -17.563 -20.797 -0.453 14 HD1 TYR 2 2HD TYR 2 -19.636 -17.778 -1.203 15 HD2 TYR 2 1HD TYR 2 -17.112 -19.812 1.640 16 HE1 TYR 2 2HE TYR 2 -20.481 -16.289 0.588 17 HE2 TYR 2 1HE TYR 2 -17.846 -18.254 3.405 18 HH TYR 2 HH TYR 2 -20.565 -16.014 3.008 19 H THR 3 H THR 3 -16.449 -17.301 -0.589 20 HA THR 3 HA THR 3 -13.602 -17.756 -0.010 21 HB THR 3 HB THR 3 -14.620 -15.388 -1.637 22 HG1 THR 3 1HG THR 3 -13.824 -17.889 -2.312 23 HG21 THR 3 3HG2 THR 3 -12.148 -15.147 -2.238 24 HG22 THR 3 1HG2 THR 3 -12.556 -14.721 -0.585 25 HG23 THR 3 2HG2 THR 3 -11.792 -16.298 -0.933 26 H GLU 4 H GLU 4 -16.295 -17.384 1.495 27 HA GLU 4 HA GLU 4 -17.150 -16.174 3.301 28 HB2 GLU 4 1HB GLU 4 -14.892 -17.020 4.038 29 HB3 GLU 4 2HB GLU 4 -14.340 -15.369 3.914 30 HG2 GLU 4 1HG GLU 4 -16.831 -15.861 5.500 31 HG3 GLU 4 2HG GLU 4 -15.370 -16.615 6.126 32 H GLN 5 H GLN 5 -16.540 -13.683 4.329 33 HA GLN 5 HA GLN 5 -16.836 -11.860 1.977 34 HB2 GLN 5 1HB GLN 5 -17.288 -11.487 4.959 35 HB3 GLN 5 2HB GLN 5 -17.151 -10.133 3.838 36 HG2 GLN 5 1HG GLN 5 -19.191 -10.445 2.923 37 HG3 GLN 5 2HG GLN 5 -19.037 -12.194 2.880 38 HE21 GLN 5 1HE2 GLN 5 -21.388 -11.850 3.340 39 HE22 GLN 5 2HE2 GLN 5 -21.854 -11.931 5.042 40 HA PRO 6 HA PRO 6 -12.449 -11.028 2.816 41 HB2 PRO 6 1HB PRO 6 -12.109 -8.537 1.824 42 HB3 PRO 6 2HB PRO 6 -12.484 -9.892 0.724 43 HG2 PRO 6 1HG PRO 6 -14.423 -7.877 1.908 44 HG3 PRO 6 2HG PRO 6 -14.250 -8.347 0.191 45 HD2 PRO 6 1HD PRO 6 -16.125 -9.473 1.840 46 HD3 PRO 6 2HD PRO 6 -15.318 -10.423 0.557 47 H ILE 7 H ILE 7 -11.118 -9.489 3.952 48 HA ILE 7 HA ILE 7 -12.191 -9.019 6.520 49 HB ILE 7 HB ILE 7 -9.578 -8.229 5.173 50 HG12 ILE 7 1HG1 ILE 7 -9.901 -10.391 7.311 51 HG13 ILE 7 2HG1 ILE 7 -10.161 -10.765 5.632 52 HG21 ILE 7 1HG2 ILE 7 -8.591 -7.656 7.227 53 HG22 ILE 7 2HG2 ILE 7 -10.120 -6.805 7.251 54 HG23 ILE 7 3HG2 ILE 7 -9.964 -8.283 8.183 55 HD11 ILE 7 3HD1 ILE 7 -7.580 -9.690 6.836 56 HD12 ILE 7 1HD1 ILE 7 -7.858 -11.288 6.129 57 HD13 ILE 7 2HD1 ILE 7 -7.857 -9.849 5.097 58 H ASP 8 H ASP 8 -13.980 -7.748 6.021 59 HA ASP 8 HA ASP 8 -15.253 -5.936 5.683 60 HB2 ASP 8 1HB ASP 8 -13.202 -5.335 7.665 61 HB3 ASP 8 2HB ASP 8 -13.764 -3.878 6.914 62 H LEU 9 H LEU 9 -13.325 -6.479 3.503 63 HA LEU 9 HA LEU 9 -12.058 -4.007 3.057 64 HB2 LEU 9 1HB LEU 9 -11.276 -6.556 2.763 65 HB3 LEU 9 2HB LEU 9 -11.716 -6.254 1.085 66 HG LEU 9 HG LEU 9 -9.994 -4.271 2.655 67 HD11 LEU 9 1HD1 LEU 9 -8.903 -6.400 2.894 68 HD12 LEU 9 2HD1 LEU 9 -8.981 -6.655 1.116 69 HD13 LEU 9 3HD1 LEU 9 -8.012 -5.323 1.795 70 HD21 LEU 9 3HD2 LEU 9 -10.848 -3.626 0.381 71 HD22 LEU 9 1HD2 LEU 9 -9.095 -3.688 0.497 72 HD23 LEU 9 2HD2 LEU 9 -9.995 -5.007 -0.307 73 H VAL 10 H VAL 10 -12.276 -2.569 1.613 74 HA VAL 10 HA VAL 10 -14.677 -2.676 -0.153 75 HB VAL 10 HB VAL 10 -15.006 -0.236 0.518 76 HG11 VAL 10 1HG1 VAL 10 -15.725 -2.510 2.434 77 HG12 VAL 10 2HG1 VAL 10 -16.554 -0.946 2.309 78 HG13 VAL 10 3HG1 VAL 10 -16.613 -2.086 0.961 79 HG21 VAL 10 3HG2 VAL 10 -12.962 -0.125 1.995 80 HG22 VAL 10 1HG2 VAL 10 -14.481 0.382 2.767 81 HG23 VAL 10 2HG2 VAL 10 -13.775 -1.207 3.130 82 HA PRO 11 HA PRO 11 -11.685 -1.198 -3.105 83 HB2 PRO 11 1HB PRO 11 -13.852 -0.139 -4.740 84 HB3 PRO 11 2HB PRO 11 -12.684 -1.417 -5.117 85 HG2 PRO 11 1HG PRO 11 -15.355 -1.987 -4.653 86 HG3 PRO 11 2HG PRO 11 -14.046 -3.099 -4.226 87 HD2 PRO 11 1HD PRO 11 -15.440 -1.140 -2.372 88 HD3 PRO 11 2HD PRO 11 -15.020 -2.868 -2.134 89 H THR 12 H THR 12 -11.069 0.980 -4.089 90 HA THR 12 HA THR 12 -12.730 3.206 -3.795 91 HB THR 12 HB THR 12 -11.839 3.128 -1.384 92 HG1 THR 12 1HG THR 12 -12.450 5.101 -2.541 93 HG21 THR 12 3HG2 THR 12 -9.161 3.804 -2.693 94 HG22 THR 12 1HG2 THR 12 -9.543 3.823 -0.959 95 HG23 THR 12 2HG2 THR 12 -9.567 2.291 -1.842 96 H GLN 13 H GLN 13 -10.978 5.210 -4.274 97 HA GLN 13 HA GLN 13 -9.094 4.440 -6.320 98 HB2 GLN 13 1HB GLN 13 -10.085 5.738 -8.111 99 HB3 GLN 13 2HB GLN 13 -11.086 4.378 -7.643 100 HG2 GLN 13 1HG GLN 13 -12.731 5.749 -6.677 101 HG3 GLN 13 2HG GLN 13 -11.641 7.125 -6.508 102 HE21 GLN 13 1HE2 GLN 13 -12.962 8.605 -7.637 103 HE22 GLN 13 2HE2 GLN 13 -13.244 8.494 -9.344 104 HA PRO 14 HA PRO 14 -7.491 8.263 -4.671 105 HB2 PRO 14 1HB PRO 14 -6.017 9.366 -6.717 106 HB3 PRO 14 2HB PRO 14 -5.528 7.918 -5.798 107 HG2 PRO 14 1HG PRO 14 -6.894 8.045 -8.489 108 HG3 PRO 14 2HG PRO 14 -5.494 7.037 -8.005 109 HD2 PRO 14 1HD PRO 14 -8.054 6.079 -8.066 110 HD3 PRO 14 2HD PRO 14 -6.874 5.522 -6.860 111 H LEU 15 H LEU 15 -7.558 10.588 -4.929 112 HA LEU 15 HA LEU 15 -10.024 11.667 -6.251 113 HB2 LEU 15 1HB LEU 15 -10.178 13.096 -4.444 114 HB3 LEU 15 2HB LEU 15 -9.848 11.561 -3.733 115 HG LEU 15 HG LEU 15 -7.344 13.019 -4.267 116 HD11 LEU 15 1HD1 LEU 15 -8.901 14.928 -4.033 117 HD12 LEU 15 2HD1 LEU 15 -9.292 14.378 -2.391 118 HD13 LEU 15 3HD1 LEU 15 -7.634 14.875 -2.782 119 HD21 LEU 15 3HD2 LEU 15 -6.871 12.492 -1.962 120 HD22 LEU 15 1HD2 LEU 15 -8.582 12.071 -1.673 121 HD23 LEU 15 2HD2 LEU 15 -7.578 11.068 -2.746 122 HA PRO 16 HA PRO 16 -7.606 14.040 -8.861 123 HB2 PRO 16 1HB PRO 16 -9.025 16.359 -9.161 124 HB3 PRO 16 2HB PRO 16 -9.642 14.765 -9.682 125 HG2 PRO 16 1HG PRO 16 -10.377 16.348 -7.239 126 HG3 PRO 16 2HG PRO 16 -11.403 15.247 -8.237 127 HD2 PRO 16 1HD PRO 16 -10.095 14.637 -5.821 128 HD3 PRO 16 2HD PRO 16 -10.888 13.494 -6.878 129 H ASN 17 H ASN 17 -6.173 15.829 -9.084 130 HA ASN 17 HA ASN 17 -4.657 17.343 -8.533 131 HB2 ASN 17 1HB ASN 17 -5.472 18.279 -5.903 132 HB3 ASN 17 2HB ASN 17 -5.095 19.156 -7.367 133 HD21 ASN 17 1HD2 ASN 17 -7.113 18.287 -9.030 134 HD22 ASN 17 2HD2 ASN 17 -8.622 18.952 -8.331 135 H ALA 18 H ALA 18 -5.534 14.907 -6.235 136 HA ALA 18 HA ALA 18 -3.469 15.147 -4.370 137 HB1 ALA 18 1HB ALA 18 -3.740 12.695 -3.981 138 HB2 ALA 18 2HB ALA 18 -5.246 13.604 -3.979 139 HB3 ALA 18 3HB ALA 18 -4.809 12.622 -5.400 140 H SER 19 H SER 19 -1.309 14.700 -4.291 141 HA SER 19 HA SER 19 0.136 13.677 -6.603 142 HB2 SER 19 1HB SER 19 1.461 15.918 -6.392 143 HB3 SER 19 2HB SER 19 -0.033 15.895 -7.338 144 HG SER 19 HG SER 19 -0.045 16.619 -4.601 145 H PHE 20 H PHE 20 2.184 13.062 -5.990 146 HA PHE 20 HA PHE 20 2.296 12.079 -3.432 147 HB2 PHE 20 1HB PHE 20 3.431 10.980 -5.335 148 HB3 PHE 20 2HB PHE 20 4.423 12.388 -5.598 149 HD1 PHE 20 1HD PHE 20 3.765 10.684 -2.286 150 HD2 PHE 20 2HD PHE 20 6.603 11.520 -5.442 151 HE1 PHE 20 1HE PHE 20 5.599 9.825 -0.884 152 HE2 PHE 20 2HE PHE 20 8.414 10.615 -4.036 153 HZ PHE 20 HZ PHE 20 7.911 9.819 -1.710 154 H ASP 21 H ASP 21 2.710 13.060 -1.582 155 HA ASP 21 HA ASP 21 4.384 15.482 -1.473 156 HB2 ASP 21 1HB ASP 21 1.960 15.215 -0.407 157 HB3 ASP 21 2HB ASP 21 2.820 14.254 0.809 158 H ASN 22 H ASN 22 5.982 15.456 0.328 159 HA ASN 22 HA ASN 22 7.732 13.307 -0.086 160 HB2 ASN 22 1HB ASN 22 7.806 15.938 1.301 161 HB3 ASN 22 2HB ASN 22 8.913 14.768 1.972 162 HD21 ASN 22 1HD2 ASN 22 10.906 14.688 1.163 163 HD22 ASN 22 2HD2 ASN 22 11.328 15.132 -0.464 164 H PHE 23 H PHE 23 5.418 12.204 1.342 165 HA PHE 23 HA PHE 23 6.490 11.295 3.898 166 HB2 PHE 23 1HB PHE 23 4.856 9.551 3.852 167 HB3 PHE 23 2HB PHE 23 4.082 11.088 3.510 168 HD1 PHE 23 2HD PHE 23 5.423 7.970 1.816 169 HD2 PHE 23 1HD PHE 23 2.600 11.236 1.686 170 HE1 PHE 23 2HE PHE 23 4.311 6.926 -0.116 171 HE2 PHE 23 1HE PHE 23 1.385 10.101 -0.115 172 HZ PHE 23 HZ PHE 23 2.176 7.838 -0.951 173 H LYS 24 H LYS 24 7.668 9.523 4.221 174 HA LYS 24 HA LYS 24 8.525 7.857 1.905 175 HB2 LYS 24 1HB LYS 24 10.344 8.841 3.262 176 HB3 LYS 24 2HB LYS 24 9.682 8.093 4.707 177 HG2 LYS 24 1HG LYS 24 10.177 5.925 3.785 178 HG3 LYS 24 2HG LYS 24 10.776 6.634 2.279 179 HD2 LYS 24 1HD LYS 24 12.771 7.363 3.339 180 HD3 LYS 24 2HD LYS 24 12.048 7.518 4.866 181 HE2 LYS 24 1HE LYS 24 13.509 5.566 4.860 182 HE3 LYS 24 2HE LYS 24 11.870 4.925 4.841 183 HZ1 LYS 24 3HZ LYS 24 13.608 5.217 2.461 184 HZ2 LYS 24 1HZ LYS 24 13.340 3.825 3.251 185 HZ3 LYS 24 2HZ LYS 24 12.095 4.561 2.465 186 H LEU 25 H LEU 25 8.278 5.642 2.405 187 HA LEU 25 HA LEU 25 6.465 5.023 4.701 188 HB2 LEU 25 1HB LEU 25 5.644 3.002 3.427 189 HB3 LEU 25 2HB LEU 25 4.983 4.580 3.059 190 HG LEU 25 HG LEU 25 6.368 4.717 0.993 191 HD11 LEU 25 1HD1 LEU 25 8.151 3.044 1.690 192 HD12 LEU 25 2HD1 LEU 25 6.955 1.755 1.549 193 HD13 LEU 25 3HD1 LEU 25 7.451 2.723 0.132 194 HD21 LEU 25 3HD2 LEU 25 4.535 2.310 1.240 195 HD22 LEU 25 1HD2 LEU 25 4.080 3.981 0.842 196 HD23 LEU 25 2HD2 LEU 25 5.075 3.066 -0.278 197 H THR 26 H THR 26 6.968 3.144 5.834 198 HA THR 26 HA THR 26 9.550 1.842 5.286 199 HB THR 26 HB THR 26 10.138 2.093 7.605 200 HG1 THR 26 1HG THR 26 8.973 3.356 9.002 201 HG21 THR 26 3HG2 THR 26 10.587 4.505 7.750 202 HG22 THR 26 1HG2 THR 26 10.819 3.918 6.109 203 HG23 THR 26 2HG2 THR 26 9.360 4.838 6.530 204 H CYS 27 H CYS 27 9.515 -0.353 6.589 205 HA CYS 27 HA CYS 27 6.932 -1.431 7.302 206 HB2 CYS 27 1HB CYS 27 8.270 -2.530 4.879 207 HB3 CYS 27 2HB CYS 27 6.749 -2.987 5.425 208 HG CYS 27 HG CYS 27 6.039 -0.201 4.822 209 H SER 28 H SER 28 7.338 -3.652 8.159 210 HA SER 28 HA SER 28 9.777 -4.195 9.306 211 HB2 SER 28 1HB SER 28 8.001 -6.386 8.299 212 HB3 SER 28 2HB SER 28 8.883 -6.311 9.819 213 HG SER 28 HG SER 28 6.512 -5.960 9.791 214 H ASN 29 H ASN 29 8.626 -5.613 6.237 215 HA ASN 29 HA ASN 29 11.216 -6.863 5.708 216 HB2 ASN 29 1HB ASN 29 9.180 -7.925 4.865 217 HB3 ASN 29 2HB ASN 29 8.812 -6.499 3.881 218 HD21 ASN 29 1HD2 ASN 29 10.225 -9.575 3.698 219 HD22 ASN 29 2HD2 ASN 29 11.210 -9.277 2.297 220 H THR 30 H THR 30 12.907 -5.714 5.134 221 HA THR 30 HA THR 30 13.016 -3.032 4.495 222 HB THR 30 HB THR 30 15.353 -3.811 3.602 223 HG1 THR 30 1HG THR 30 15.920 -5.845 4.191 224 HG21 THR 30 3HG2 THR 30 16.116 -4.252 5.937 225 HG22 THR 30 1HG2 THR 30 15.034 -2.855 5.811 226 HG23 THR 30 2HG2 THR 30 14.406 -4.392 6.427 227 H LYS 31 H LYS 31 13.160 -5.780 2.146 228 HA LYS 31 HA LYS 31 13.505 -4.101 -0.154 229 HB2 LYS 31 1HB LYS 31 14.074 -6.433 -0.351 230 HB3 LYS 31 2HB LYS 31 12.471 -6.942 0.169 231 HG2 LYS 31 1HG LYS 31 12.695 -7.289 -2.216 232 HG3 LYS 31 2HG LYS 31 11.446 -6.092 -1.899 233 HD2 LYS 31 1HD LYS 31 12.681 -5.394 -3.810 234 HD3 LYS 31 2HD LYS 31 13.075 -4.272 -2.507 235 HE2 LYS 31 1HE LYS 31 15.210 -5.463 -2.115 236 HE3 LYS 31 2HE LYS 31 14.799 -6.624 -3.384 237 HZ1 LYS 31 3HZ LYS 31 16.259 -4.833 -4.169 238 HZ2 LYS 31 1HZ LYS 31 14.807 -4.788 -4.974 239 HZ3 LYS 31 2HZ LYS 31 15.119 -3.708 -3.828 240 H PHE 32 H PHE 32 10.562 -5.439 1.426 241 HA PHE 32 HA PHE 32 8.681 -4.632 -0.478 242 HB2 PHE 32 1HB PHE 32 8.388 -5.988 1.677 243 HB3 PHE 32 2HB PHE 32 8.334 -4.442 2.529 244 HD1 PHE 32 2HD PHE 32 6.773 -6.220 -0.362 245 HD2 PHE 32 1HD PHE 32 6.136 -3.560 2.941 246 HE1 PHE 32 2HE PHE 32 4.332 -6.225 -0.839 247 HE2 PHE 32 1HE PHE 32 3.704 -3.553 2.468 248 HZ PHE 32 HZ PHE 32 2.782 -4.917 0.604 249 H ALA 33 H ALA 33 9.835 -2.769 2.367 250 HA ALA 33 HA ALA 33 8.399 -0.376 1.768 251 HB1 ALA 33 1HB ALA 33 9.350 -1.068 3.994 252 HB2 ALA 33 2HB ALA 33 10.982 -0.760 3.365 253 HB3 ALA 33 3HB ALA 33 9.818 0.577 3.503 254 H ASP 34 H ASP 34 11.487 -1.613 0.703 255 HA ASP 34 HA ASP 34 12.582 0.951 -0.208 256 HB2 ASP 34 1HB ASP 34 13.930 -1.064 0.549 257 HB3 ASP 34 2HB ASP 34 13.458 -1.898 -0.922 258 H ASP 35 H ASP 35 11.268 -1.940 -1.850 259 HA ASP 35 HA ASP 35 11.351 -0.981 -4.519 260 HB2 ASP 35 1HB ASP 35 11.122 -3.367 -3.518 261 HB3 ASP 35 2HB ASP 35 9.405 -3.034 -3.646 262 H LEU 36 H LEU 36 8.838 -0.843 -2.009 263 HA LEU 36 HA LEU 36 6.823 0.495 -3.555 264 HB2 LEU 36 1HB LEU 36 7.470 0.318 -0.595 265 HB3 LEU 36 2HB LEU 36 6.213 1.397 -1.183 266 HG LEU 36 HG LEU 36 6.174 -1.592 -1.694 267 HD11 LEU 36 1HD1 LEU 36 4.650 0.094 0.348 268 HD12 LEU 36 2HD1 LEU 36 4.424 -1.637 0.052 269 HD13 LEU 36 3HD1 LEU 36 5.954 -1.056 0.717 270 HD21 LEU 36 3HD2 LEU 36 4.253 0.713 -2.256 271 HD22 LEU 36 1HD2 LEU 36 4.899 -0.510 -3.386 272 HD23 LEU 36 2HD2 LEU 36 3.718 -0.960 -2.162 273 H ASN 37 H ASN 37 9.430 1.833 -1.426 274 HA ASN 37 HA ASN 37 8.738 4.579 -1.850 275 HB2 ASN 37 1HB ASN 37 11.180 3.066 -0.925 276 HB3 ASN 37 2HB ASN 37 11.374 4.710 -1.352 277 HD21 ASN 37 1HD2 ASN 37 10.920 2.773 1.104 278 HD22 ASN 37 2HD2 ASN 37 10.092 3.787 2.239 279 H GLN 38 H GLN 38 10.510 2.237 -3.780 280 HA GLN 38 HA GLN 38 11.950 4.025 -5.489 281 HB2 GLN 38 1HB GLN 38 11.619 1.178 -5.040 282 HB3 GLN 38 2HB GLN 38 11.353 1.501 -6.737 283 HG2 GLN 38 1HG GLN 38 13.778 2.675 -5.335 284 HG3 GLN 38 2HG GLN 38 13.723 0.978 -5.782 285 HE21 GLN 38 1HE2 GLN 38 15.009 0.778 -7.614 286 HE22 GLN 38 2HE2 GLN 38 14.837 1.825 -9.038 287 H MET 39 H MET 39 8.739 2.352 -5.678 288 HA MET 39 HA MET 39 8.208 2.982 -8.320 289 HB2 MET 39 1HB MET 39 6.343 2.689 -5.924 290 HB3 MET 39 2HB MET 39 5.769 2.805 -7.593 291 HG2 MET 39 1HG MET 39 6.631 0.768 -8.216 292 HG3 MET 39 2HG MET 39 7.881 0.810 -6.976 293 HE1 MET 39 3HE MET 39 3.653 -0.032 -6.973 294 HE2 MET 39 1HE MET 39 3.727 0.466 -5.266 295 HE3 MET 39 2HE MET 39 4.233 1.592 -6.525 296 H THR 40 H THR 40 7.184 4.803 -5.401 297 HA THR 40 HA THR 40 5.993 6.887 -6.893 298 HB THR 40 HB THR 40 5.381 6.244 -4.675 299 HG1 THR 40 1HG THR 40 6.207 8.942 -4.715 300 HG21 THR 40 3HG2 THR 40 7.951 7.461 -3.651 301 HG22 THR 40 1HG2 THR 40 6.572 6.936 -2.667 302 HG23 THR 40 2HG2 THR 40 7.480 5.743 -3.603 303 H GLY 41 H GLY 41 9.386 6.509 -5.793 304 HA2 GLY 41 1HA GLY 41 11.099 7.744 -6.958 305 HA3 GLY 41 2HA GLY 41 10.018 9.110 -7.135 306 H PHE 42 H PHE 42 10.015 7.522 -4.049 307 HA PHE 42 HA PHE 42 10.054 9.845 -2.625 308 HB2 PHE 42 1HB PHE 42 9.236 8.011 -1.467 309 HB3 PHE 42 2HB PHE 42 10.548 6.963 -1.983 310 HD1 PHE 42 2HD PHE 42 9.836 9.886 0.305 311 HD2 PHE 42 1HD PHE 42 12.420 6.547 -0.671 312 HE1 PHE 42 2HE PHE 42 11.462 10.663 1.931 313 HE2 PHE 42 1HE PHE 42 13.914 7.188 1.166 314 HZ PHE 42 HZ PHE 42 13.537 9.359 2.352 315 H THR 43 H THR 43 11.446 11.149 -1.430 316 HA THR 43 HA THR 43 14.364 10.811 -1.613 317 HB THR 43 HB THR 43 12.861 13.383 -2.320 318 HG1 THR 43 1HG THR 43 12.197 11.961 -3.868 319 HG21 THR 43 3HG2 THR 43 14.916 13.992 -3.427 320 HG22 THR 43 1HG2 THR 43 15.264 13.507 -1.767 321 HG23 THR 43 2HG2 THR 43 15.625 12.383 -3.100 322 H LYS 44 H LYS 44 15.377 11.541 0.188 323 HA LYS 44 HA LYS 44 13.714 12.468 2.368 324 HB2 LYS 44 1HB LYS 44 16.447 11.356 2.012 325 HB3 LYS 44 2HB LYS 44 16.388 12.626 3.207 326 HG2 LYS 44 1HG LYS 44 14.195 11.084 3.921 327 HG3 LYS 44 2HG LYS 44 15.312 9.882 3.260 328 HD2 LYS 44 1HD LYS 44 17.057 10.708 4.853 329 HD3 LYS 44 2HD LYS 44 15.844 11.808 5.555 330 HE2 LYS 44 1HE LYS 44 14.411 9.891 6.147 331 HE3 LYS 44 2HE LYS 44 15.570 8.782 5.402 332 HZ1 LYS 44 3HZ LYS 44 17.196 9.463 7.035 333 HZ2 LYS 44 1HZ LYS 44 16.107 10.470 7.766 334 HZ3 LYS 44 2HZ LYS 44 15.837 8.857 7.763 335 HA PRO 45 HA PRO 45 14.819 13.524 4.368 336 HB2 PRO 45 1HB PRO 45 13.509 16.058 5.079 337 HB3 PRO 45 2HB PRO 45 14.789 15.198 5.980 338 HG2 PRO 45 1HG PRO 45 15.359 17.497 4.599 339 HG3 PRO 45 2HG PRO 45 16.508 16.126 4.631 340 HD2 PRO 45 1HD PRO 45 14.514 16.873 2.477 341 HD3 PRO 45 2HD PRO 45 16.228 16.367 2.308 342 H ALA 46 H ALA 46 12.934 12.361 4.969 343 HA ALA 46 HA ALA 46 10.610 12.828 3.306 344 HB1 ALA 46 1HB ALA 46 9.794 10.838 4.225 345 HB2 ALA 46 2HB ALA 46 11.539 10.560 4.072 346 HB3 ALA 46 3HB ALA 46 10.846 10.920 5.668 347 H SER 47 H SER 47 8.817 13.949 4.006 348 HA SER 47 HA SER 47 8.959 15.612 6.348 349 HB2 SER 47 1HB SER 47 7.726 15.917 4.047 350 HB3 SER 47 2HB SER 47 6.422 15.033 4.807 351 HG SER 47 HG SER 47 6.136 17.190 5.038 352 H ARG 48 H ARG 48 7.619 12.416 5.682 353 HA ARG 48 HA ARG 48 7.478 11.936 8.537 354 HB2 ARG 48 1HB ARG 48 5.274 11.065 8.636 355 HB3 ARG 48 2HB ARG 48 5.193 12.700 8.027 356 HG2 ARG 48 1HG ARG 48 3.968 11.989 6.318 357 HG3 ARG 48 2HG ARG 48 5.355 11.145 5.698 358 HD2 ARG 48 1HD ARG 48 3.428 9.679 5.888 359 HD3 ARG 48 2HD ARG 48 4.736 9.092 6.878 360 HE ARG 48 HE ARG 48 3.353 9.213 8.680 361 HH11 ARG 48 2HH2 ARG 48 1.964 11.527 6.336 362 HH12 ARG 48 1HH2 ARG 48 0.831 12.168 7.482 363 HH21 ARG 48 2HH1 ARG 48 1.788 9.954 10.092 364 HH22 ARG 48 1HH1 ARG 48 0.583 11.079 9.552 365 H GLU 49 H GLU 49 7.274 9.586 8.979 366 HA GLU 49 HA GLU 49 7.927 7.833 6.712 367 HB2 GLU 49 1HB GLU 49 9.432 7.624 9.357 368 HB3 GLU 49 2HB GLU 49 9.477 6.504 7.996 369 HG2 GLU 49 1HG GLU 49 10.142 8.689 6.646 370 HG3 GLU 49 2HG GLU 49 10.543 9.290 8.199 371 H LEU 50 H LEU 50 5.970 7.042 6.593 372 HA LEU 50 HA LEU 50 4.346 6.025 8.899 373 HB2 LEU 50 1HB LEU 50 2.636 5.865 7.578 374 HB3 LEU 50 2HB LEU 50 3.338 7.328 7.054 375 HG LEU 50 HG LEU 50 4.316 6.091 5.075 376 HD11 LEU 50 1HD1 LEU 50 4.317 3.871 5.462 377 HD12 LEU 50 2HD1 LEU 50 3.040 3.981 6.675 378 HD13 LEU 50 3HD1 LEU 50 2.659 3.891 4.901 379 HD21 LEU 50 3HD2 LEU 50 1.380 6.515 5.711 380 HD22 LEU 50 1HD2 LEU 50 2.444 7.449 4.638 381 HD23 LEU 50 2HD2 LEU 50 1.797 5.858 4.157 382 H SER 51 H SER 51 4.120 3.809 9.363 383 HA SER 51 HA SER 51 6.075 2.109 7.901 384 HB2 SER 51 1HB SER 51 6.615 2.523 10.291 385 HB3 SER 51 2HB SER 51 5.080 1.729 10.720 386 HG SER 51 HG SER 51 5.852 -0.175 9.785 387 H VAL 52 H VAL 52 5.388 -0.077 7.230 388 HA VAL 52 HA VAL 52 2.448 -0.482 7.431 389 HB VAL 52 HB VAL 52 4.704 -1.567 5.756 390 HG11 VAL 52 1HG1 VAL 52 3.181 -3.421 5.911 391 HG12 VAL 52 2HG1 VAL 52 1.784 -2.372 5.596 392 HG13 VAL 52 3HG1 VAL 52 2.977 -2.677 4.328 393 HG21 VAL 52 3HG2 VAL 52 3.952 0.735 5.127 394 HG22 VAL 52 1HG2 VAL 52 3.675 -0.457 3.854 395 HG23 VAL 52 2HG2 VAL 52 2.319 0.086 4.869 396 H THR 53 H THR 53 1.634 -2.494 8.234 397 HA THR 53 HA THR 53 3.601 -4.515 9.110 398 HB THR 53 HB THR 53 2.172 -5.074 11.046 399 HG1 THR 53 1HG THR 53 0.254 -4.150 10.613 400 HG21 THR 53 3HG2 THR 53 4.159 -3.650 11.452 401 HG22 THR 53 1HG2 THR 53 3.159 -2.200 11.233 402 HG23 THR 53 2HG2 THR 53 2.831 -3.295 12.585 403 H PHE 54 H PHE 54 2.870 -6.641 8.804 404 HA PHE 54 HA PHE 54 0.844 -6.951 6.679 405 HB2 PHE 54 1HB PHE 54 2.605 -9.005 8.094 406 HB3 PHE 54 2HB PHE 54 1.632 -9.278 6.655 407 HD1 PHE 54 2HD PHE 54 2.169 -7.327 4.776 408 HD2 PHE 54 1HD PHE 54 4.900 -9.011 7.620 409 HE1 PHE 54 2HE PHE 54 4.092 -6.604 3.344 410 HE2 PHE 54 1HE PHE 54 6.827 -8.287 6.220 411 HZ PHE 54 HZ PHE 54 6.410 -7.071 4.070 412 H PHE 55 H PHE 55 -1.257 -7.597 7.173 413 HA PHE 55 HA PHE 55 -2.271 -7.697 9.711 414 HB2 PHE 55 1HB PHE 55 -3.199 -8.169 7.093 415 HB3 PHE 55 2HB PHE 55 -3.558 -9.654 7.921 416 HD1 PHE 55 1HD PHE 55 -3.785 -5.976 8.997 417 HD2 PHE 55 2HD PHE 55 -5.801 -9.754 8.442 418 HE1 PHE 55 1HE PHE 55 -5.902 -4.971 9.745 419 HE2 PHE 55 2HE PHE 55 -7.889 -8.747 9.271 420 HZ PHE 55 HZ PHE 55 -7.961 -6.347 9.917 421 HA PRO 56 HA PRO 56 -3.905 -8.924 10.792 422 HB2 PRO 56 1HB PRO 56 -4.213 -9.882 13.327 423 HB3 PRO 56 2HB PRO 56 -4.675 -10.832 11.884 424 HG2 PRO 56 1HG PRO 56 -2.085 -10.968 13.465 425 HG3 PRO 56 2HG PRO 56 -3.138 -12.330 12.966 426 HD2 PRO 56 1HD PRO 56 -0.915 -11.561 11.533 427 HD3 PRO 56 2HD PRO 56 -2.375 -12.238 10.756 428 H ASP 57 H ASP 57 -0.601 -8.524 11.518 429 HA ASP 57 HA ASP 57 -0.879 -6.762 13.783 430 HB2 ASP 57 1HB ASP 57 1.267 -7.045 11.662 431 HB3 ASP 57 2HB ASP 57 1.325 -5.922 12.969 432 H LEU 58 H LEU 58 -1.711 -4.765 13.653 433 HA LEU 58 HA LEU 58 -1.698 -3.284 11.070 434 HB2 LEU 58 1HB LEU 58 -4.072 -2.822 11.270 435 HB3 LEU 58 2HB LEU 58 -3.699 -4.519 11.087 436 HG LEU 58 HG LEU 58 -3.869 -4.467 13.802 437 HD11 LEU 58 1HD1 LEU 58 -5.853 -3.070 14.389 438 HD12 LEU 58 2HD1 LEU 58 -4.390 -2.145 14.080 439 HD13 LEU 58 3HD1 LEU 58 -5.663 -2.222 12.842 440 HD21 LEU 58 3HD2 LEU 58 -6.133 -5.332 13.560 441 HD22 LEU 58 1HD2 LEU 58 -6.290 -4.589 11.968 442 HD23 LEU 58 2HD2 LEU 58 -5.140 -5.916 12.214 443 H ASN 59 H ASN 59 -0.238 -3.072 13.763 444 HA ASN 59 HA ASN 59 -1.117 -0.633 15.010 445 HB2 ASN 59 1HB ASN 59 1.569 -2.036 14.868 446 HB3 ASN 59 2HB ASN 59 1.466 -0.385 15.443 447 HD21 ASN 59 1HD2 ASN 59 0.216 -3.574 15.942 448 HD22 ASN 59 2HD2 ASN 59 -0.361 -3.352 17.625 449 H GLY 60 H GLY 60 1.152 -1.383 12.471 450 HA2 GLY 60 1HA GLY 60 2.214 1.089 11.797 451 HA3 GLY 60 2HA GLY 60 1.890 -0.154 10.584 452 H ASP 61 H ASP 61 1.781 2.735 10.378 453 HA ASP 61 HA ASP 61 -0.728 3.965 10.403 454 HB2 ASP 61 1HB ASP 61 1.919 4.333 9.113 455 HB3 ASP 61 2HB ASP 61 0.593 4.931 8.129 456 H VAL 62 H VAL 62 0.719 1.789 7.995 457 HA VAL 62 HA VAL 62 -1.777 1.919 6.366 458 HB VAL 62 HB VAL 62 1.107 1.936 5.404 459 HG11 VAL 62 1HG1 VAL 62 -0.172 0.569 3.867 460 HG12 VAL 62 2HG1 VAL 62 -1.525 1.705 3.854 461 HG13 VAL 62 3HG1 VAL 62 0.007 2.148 3.105 462 HG21 VAL 62 3HG2 VAL 62 0.366 4.112 4.329 463 HG22 VAL 62 1HG2 VAL 62 -1.083 4.056 5.350 464 HG23 VAL 62 2HG2 VAL 62 0.529 4.170 6.072 465 H VAL 63 H VAL 63 -2.717 -0.015 6.362 466 HA VAL 63 HA VAL 63 -1.205 -2.261 7.441 467 HB VAL 63 HB VAL 63 -4.098 -2.024 6.485 468 HG11 VAL 63 1HG1 VAL 63 -4.517 -3.939 7.981 469 HG12 VAL 63 2HG1 VAL 63 -3.443 -4.382 6.659 470 HG13 VAL 63 3HG1 VAL 63 -2.762 -4.084 8.278 471 HG21 VAL 63 3HG2 VAL 63 -3.766 -0.426 8.279 472 HG22 VAL 63 1HG2 VAL 63 -4.529 -1.841 9.010 473 HG23 VAL 63 2HG2 VAL 63 -2.800 -1.587 9.215 474 H ALA 64 H ALA 64 -0.817 -4.303 6.389 475 HA ALA 64 HA ALA 64 -1.106 -4.256 3.410 476 HB1 ALA 64 1HB ALA 64 0.870 -5.783 3.409 477 HB2 ALA 64 2HB ALA 64 1.227 -4.161 3.997 478 HB3 ALA 64 3HB ALA 64 1.054 -5.471 5.160 479 H ILE 65 H ILE 65 -2.339 -5.785 2.543 480 HA ILE 65 HA ILE 65 -3.371 -7.927 4.273 481 HB ILE 65 HB ILE 65 -4.688 -6.459 1.990 482 HG12 ILE 65 1HG1 ILE 65 -4.628 -5.169 4.122 483 HG13 ILE 65 2HG1 ILE 65 -6.252 -5.592 3.611 484 HG21 ILE 65 1HG2 ILE 65 -5.713 -8.798 3.652 485 HG22 ILE 65 2HG2 ILE 65 -6.735 -7.773 2.614 486 HG23 ILE 65 3HG2 ILE 65 -5.450 -8.750 1.898 487 HD11 ILE 65 3HD1 ILE 65 -4.687 -7.017 5.802 488 HD12 ILE 65 1HD1 ILE 65 -5.923 -5.784 6.051 489 HD13 ILE 65 2HD1 ILE 65 -6.378 -7.340 5.346 490 H ASP 66 H ASP 66 -3.474 -10.032 3.239 491 HA ASP 66 HA ASP 66 -1.474 -10.635 1.270 492 HB2 ASP 66 1HB ASP 66 -2.187 -12.170 3.005 493 HB3 ASP 66 2HB ASP 66 -3.812 -12.251 2.352 494 H TYR 67 H TYR 67 -1.596 -10.820 -0.823 495 HA TYR 67 HA TYR 67 -3.444 -9.825 -2.650 496 HB2 TYR 67 1HB TYR 67 -1.149 -10.277 -3.172 497 HB3 TYR 67 2HB TYR 67 -1.276 -11.945 -2.643 498 HD1 TYR 67 2HD TYR 67 -2.231 -13.692 -4.045 499 HD2 TYR 67 1HD TYR 67 -1.889 -9.631 -5.427 500 HE1 TYR 67 2HE TYR 67 -2.508 -14.481 -6.363 501 HE2 TYR 67 1HE TYR 67 -2.168 -10.407 -7.770 502 HH TYR 67 HH TYR 67 -2.219 -13.809 -8.654 503 H ARG 68 H ARG 68 -3.684 -12.936 -0.916 504 HA ARG 68 HA ARG 68 -5.463 -14.311 -2.577 505 HB2 ARG 68 1HB ARG 68 -6.078 -15.533 -0.668 506 HB3 ARG 68 2HB ARG 68 -4.421 -15.025 -0.382 507 HG2 ARG 68 1HG ARG 68 -5.366 -13.116 1.026 508 HG3 ARG 68 2HG ARG 68 -6.949 -13.890 0.877 509 HD2 ARG 68 1HD ARG 68 -6.055 -15.954 1.911 510 HD3 ARG 68 2HD ARG 68 -4.467 -15.199 2.065 511 HE ARG 68 HE ARG 68 -6.539 -13.577 3.259 512 HH11 ARG 68 2HH2 ARG 68 -4.028 -15.955 3.956 513 HH12 ARG 68 1HH2 ARG 68 -4.186 -15.818 5.664 514 HH21 ARG 68 2HH1 ARG 68 -6.986 -13.608 5.457 515 HH22 ARG 68 1HH1 ARG 68 -5.896 -14.397 6.564 516 H HIS 69 H HIS 69 -6.088 -11.309 -0.937 517 HA HIS 69 HA HIS 69 -9.034 -11.525 -1.320 518 HB2 HIS 69 1HB HIS 69 -7.121 -9.785 0.202 519 HB3 HIS 69 2HB HIS 69 -8.627 -9.050 -0.333 520 HD1 HIS 69 1HD HIS 69 -9.101 -12.677 0.827 521 HD2 HIS 69 2HD HIS 69 -9.001 -8.711 2.308 522 HE1 HIS 69 1HE HIS 69 -10.077 -12.740 3.154 523 H TYR 70 H TYR 70 -6.353 -10.557 -3.251 524 HA TYR 70 HA TYR 70 -7.480 -8.119 -4.273 525 HB2 TYR 70 1HB TYR 70 -5.101 -8.515 -4.452 526 HB3 TYR 70 2HB TYR 70 -5.373 -9.955 -5.429 527 HD1 TYR 70 2HD TYR 70 -7.491 -6.960 -6.140 528 HD2 TYR 70 1HD TYR 70 -3.954 -9.170 -7.189 529 HE1 TYR 70 2HE TYR 70 -7.206 -5.531 -8.111 530 HE2 TYR 70 1HE TYR 70 -3.655 -7.747 -9.200 531 HH TYR 70 HH TYR 70 -5.227 -4.772 -9.723 532 H SER 71 H SER 71 -9.604 -8.580 -4.740 533 HA SER 71 HA SER 71 -10.231 -10.339 -6.989 534 HB2 SER 71 1HB SER 71 -11.723 -10.264 -5.023 535 HB3 SER 71 2HB SER 71 -11.900 -8.511 -5.187 536 HG SER 71 HG SER 71 -13.618 -9.935 -6.033 537 H ALA 72 H ALA 72 -11.350 -9.545 -8.821 538 HA ALA 72 HA ALA 72 -10.375 -7.253 -10.169 539 HB1 ALA 72 1HB ALA 72 -11.415 -9.163 -11.313 540 HB2 ALA 72 2HB ALA 72 -12.972 -8.819 -10.523 541 HB3 ALA 72 3HB ALA 72 -12.302 -7.673 -11.688 542 H SER 73 H SER 73 -12.966 -7.521 -7.748 543 HA SER 73 HA SER 73 -14.236 -5.049 -8.265 544 HB2 SER 73 1HB SER 73 -13.803 -6.215 -5.494 545 HB3 SER 73 2HB SER 73 -15.151 -5.241 -6.073 546 HG SER 73 HG SER 73 -15.564 -7.573 -5.953 547 H PHE 74 H PHE 74 -11.042 -5.683 -6.993 548 HA PHE 74 HA PHE 74 -10.792 -2.986 -5.761 549 HB2 PHE 74 1HB PHE 74 -9.113 -5.495 -5.495 550 HB3 PHE 74 2HB PHE 74 -8.866 -4.011 -4.625 551 HD1 PHE 74 1HD PHE 74 -11.793 -3.392 -3.837 552 HD2 PHE 74 2HD PHE 74 -9.449 -7.005 -3.688 553 HE1 PHE 74 1HE PHE 74 -13.197 -4.260 -1.963 554 HE2 PHE 74 2HE PHE 74 -10.907 -7.850 -1.847 555 HZ PHE 74 HZ PHE 74 -12.767 -6.481 -1.018 556 H LYS 75 H LYS 75 -10.635 -3.652 -8.807 557 HA LYS 75 HA LYS 75 -7.938 -3.792 -9.611 558 HB2 LYS 75 1HB LYS 75 -9.290 -4.460 -11.299 559 HB3 LYS 75 2HB LYS 75 -10.645 -3.498 -10.746 560 HG2 LYS 75 1HG LYS 75 -10.189 -2.688 -12.863 561 HG3 LYS 75 2HG LYS 75 -9.623 -1.471 -11.755 562 HD2 LYS 75 1HD LYS 75 -7.308 -2.823 -12.035 563 HD3 LYS 75 2HD LYS 75 -8.055 -3.321 -13.562 564 HE2 LYS 75 1HE LYS 75 -8.411 -0.935 -14.107 565 HE3 LYS 75 2HE LYS 75 -7.780 -0.485 -12.502 566 HZ1 LYS 75 3HZ LYS 75 -6.200 -1.858 -14.609 567 HZ2 LYS 75 1HZ LYS 75 -6.084 -0.264 -14.284 568 HZ3 LYS 75 2HZ LYS 75 -5.619 -1.371 -13.155 569 H LYS 76 H LYS 76 -10.022 -0.948 -8.871 570 HA LYS 76 HA LYS 76 -7.771 0.837 -9.669 571 HB2 LYS 76 1HB LYS 76 -10.693 1.389 -9.102 572 HB3 LYS 76 2HB LYS 76 -9.472 2.636 -9.475 573 HG2 LYS 76 1HG LYS 76 -8.977 1.170 -11.599 574 HG3 LYS 76 2HG LYS 76 -10.506 0.373 -11.191 575 HD2 LYS 76 1HD LYS 76 -11.583 2.665 -11.262 576 HD3 LYS 76 2HD LYS 76 -10.094 3.243 -12.026 577 HE2 LYS 76 1HE LYS 76 -10.311 1.632 -13.837 578 HE3 LYS 76 2HE LYS 76 -11.597 0.781 -13.002 579 HZ1 LYS 76 3HZ LYS 76 -11.846 3.546 -14.052 580 HZ2 LYS 76 1HZ LYS 76 -12.525 2.203 -14.724 581 HZ3 LYS 76 2HZ LYS 76 -13.037 2.725 -13.290 582 H GLY 77 H GLY 77 -8.184 -0.989 -7.145 583 HA2 GLY 77 1HA GLY 77 -6.708 -0.692 -5.351 584 HA3 GLY 77 2HA GLY 77 -7.128 1.024 -5.248 585 H ALA 78 H ALA 78 -7.285 -0.248 -2.928 586 HA ALA 78 HA ALA 78 -10.090 -0.299 -2.274 587 HB1 ALA 78 1HB ALA 78 -9.539 -2.631 -3.095 588 HB2 ALA 78 2HB ALA 78 -8.360 -2.773 -1.770 589 HB3 ALA 78 3HB ALA 78 -10.098 -2.551 -1.440 590 H LYS 79 H LYS 79 -10.196 -0.896 0.168 591 HA LYS 79 HA LYS 79 -7.904 -0.136 1.799 592 HB2 LYS 79 1HB LYS 79 -9.427 1.611 2.893 593 HB3 LYS 79 2HB LYS 79 -8.638 2.070 1.389 594 HG2 LYS 79 1HG LYS 79 -10.613 2.116 0.166 595 HG3 LYS 79 2HG LYS 79 -11.375 0.908 1.143 596 HD2 LYS 79 1HD LYS 79 -11.423 2.621 3.024 597 HD3 LYS 79 2HD LYS 79 -11.011 3.830 1.796 598 HE2 LYS 79 1HE LYS 79 -13.087 3.391 0.628 599 HE3 LYS 79 2HE LYS 79 -13.387 1.926 1.563 600 HZ1 LYS 79 3HZ LYS 79 -14.681 3.827 2.302 601 HZ2 LYS 79 1HZ LYS 79 -13.722 3.277 3.522 602 HZ3 LYS 79 2HZ LYS 79 -13.350 4.671 2.733 603 H LEU 80 H LEU 80 -8.738 -0.213 4.137 604 HA LEU 80 HA LEU 80 -10.696 -2.423 4.475 605 HB2 LEU 80 1HB LEU 80 -8.113 -2.356 5.379 606 HB3 LEU 80 2HB LEU 80 -8.932 -1.580 6.736 607 HG LEU 80 HG LEU 80 -9.489 -4.319 5.508 608 HD11 LEU 80 1HD1 LEU 80 -8.393 -5.278 7.416 609 HD12 LEU 80 2HD1 LEU 80 -7.305 -4.048 6.790 610 HD13 LEU 80 3HD1 LEU 80 -8.281 -3.727 8.239 611 HD21 LEU 80 3HD2 LEU 80 -10.713 -3.049 8.004 612 HD22 LEU 80 1HD2 LEU 80 -11.556 -3.524 6.490 613 HD23 LEU 80 2HD2 LEU 80 -10.876 -4.743 7.551 614 H LEU 81 H LEU 81 -11.385 -1.698 7.072 615 HA LEU 81 HA LEU 81 -13.612 -0.402 6.771 616 HB2 LEU 81 1HB LEU 81 -12.359 -1.365 8.971 617 HB3 LEU 81 2HB LEU 81 -12.219 0.333 9.344 618 HG LEU 81 HG LEU 81 -14.807 0.419 8.743 619 HD11 LEU 81 1HD1 LEU 81 -14.901 -1.904 7.878 620 HD12 LEU 81 2HD1 LEU 81 -14.384 -2.533 9.458 621 HD13 LEU 81 3HD1 LEU 81 -15.947 -1.727 9.284 622 HD21 LEU 81 3HD2 LEU 81 -13.763 -0.866 11.296 623 HD22 LEU 81 1HD2 LEU 81 -13.951 0.881 10.977 624 HD23 LEU 81 2HD2 LEU 81 -15.382 -0.159 11.068 625 H HIS 82 H HIS 82 -10.866 1.492 8.097 626 HA HIS 82 HA HIS 82 -11.579 3.682 6.269 627 HB2 HIS 82 1HB HIS 82 -11.544 5.408 8.016 628 HB3 HIS 82 2HB HIS 82 -12.872 4.282 8.221 629 HD1 HIS 82 1HD HIS 82 -9.746 5.555 9.991 630 HD2 HIS 82 2HD HIS 82 -12.674 2.539 10.345 631 HE1 HIS 82 1HE HIS 82 -9.461 4.575 12.271 632 H LYS 83 H LYS 83 -9.223 1.688 7.433 633 HA LYS 83 HA LYS 83 -7.054 3.686 7.167 634 HB2 LYS 83 1HB LYS 83 -7.251 0.858 8.200 635 HB3 LYS 83 2HB LYS 83 -5.698 1.466 7.662 636 HG2 LYS 83 1HG LYS 83 -6.749 3.507 9.315 637 HG3 LYS 83 2HG LYS 83 -7.220 2.041 10.117 638 HD2 LYS 83 1HD LYS 83 -4.359 2.454 9.184 639 HD3 LYS 83 2HD LYS 83 -4.931 3.142 10.702 640 HE2 LYS 83 1HE LYS 83 -5.592 0.837 11.447 641 HE3 LYS 83 2HE LYS 83 -4.807 0.191 10.002 642 HZ1 LYS 83 3HZ LYS 83 -3.558 1.720 12.214 643 HZ2 LYS 83 1HZ LYS 83 -3.297 0.162 11.871 644 HZ3 LYS 83 2HZ LYS 83 -2.710 1.286 10.855 645 HA PRO 84 HA PRO 84 -6.393 2.185 3.025 646 HB2 PRO 84 1HB PRO 84 -3.744 2.684 2.639 647 HB3 PRO 84 2HB PRO 84 -4.923 4.012 2.861 648 HG2 PRO 84 1HG PRO 84 -3.083 2.790 4.917 649 HG3 PRO 84 2HG PRO 84 -3.387 4.518 4.623 650 HD2 PRO 84 1HD PRO 84 -4.579 2.969 6.574 651 HD3 PRO 84 2HD PRO 84 -5.365 4.415 5.921 652 H ILE 85 H ILE 85 -5.114 0.456 1.827 653 HA ILE 85 HA ILE 85 -3.761 -1.454 3.558 654 HB ILE 85 HB ILE 85 -4.884 -3.435 2.777 655 HG12 ILE 85 1HG1 ILE 85 -7.185 -2.605 1.389 656 HG13 ILE 85 2HG1 ILE 85 -5.990 -1.594 0.676 657 HG21 ILE 85 1HG2 ILE 85 -5.785 -2.445 4.679 658 HG22 ILE 85 2HG2 ILE 85 -6.866 -1.433 3.709 659 HG23 ILE 85 3HG2 ILE 85 -7.041 -3.210 3.684 660 HD11 ILE 85 3HD1 ILE 85 -4.636 -3.655 0.129 661 HD12 ILE 85 1HD1 ILE 85 -5.903 -4.643 0.876 662 HD13 ILE 85 2HD1 ILE 85 -6.265 -3.692 -0.576 663 H VAL 86 H VAL 86 -2.360 -2.810 2.343 664 HA VAL 86 HA VAL 86 -2.006 -2.202 -0.545 665 HB VAL 86 HB VAL 86 0.383 -2.612 -0.369 666 HG11 VAL 86 1HG1 VAL 86 0.972 -0.406 0.353 667 HG12 VAL 86 2HG1 VAL 86 -0.605 -0.330 -0.435 668 HG13 VAL 86 3HG1 VAL 86 -0.497 -0.255 1.339 669 HG21 VAL 86 3HG2 VAL 86 1.623 -2.395 1.690 670 HG22 VAL 86 1HG2 VAL 86 0.129 -2.333 2.632 671 HG23 VAL 86 2HG2 VAL 86 0.572 -3.819 1.730 672 H TRP 87 H TRP 87 -0.669 -4.101 -1.566 673 HA TRP 87 HA TRP 87 -1.837 -6.659 -0.564 674 HB2 TRP 87 1HB TRP 87 -0.963 -5.962 -3.385 675 HB3 TRP 87 2HB TRP 87 -1.643 -7.491 -2.837 676 HD1 TRP 87 HD TRP 87 -2.623 -4.577 -4.633 677 HE1 TRP 87 1HE TRP 87 -5.167 -4.144 -4.618 678 HE3 TRP 87 3HE TRP 87 -3.942 -7.702 -0.806 679 HZ2 TRP 87 2HZ TRP 87 -7.492 -5.111 -3.160 680 HZ3 TRP 87 3HZ TRP 87 -6.268 -7.910 -0.137 681 HH2 TRP 87 HH TRP 87 -8.084 -6.662 -1.332 682 H HIS 88 H HIS 88 -0.346 -8.217 -0.001 683 HA HIS 88 HA HIS 88 2.444 -7.931 -1.017 684 HB2 HIS 88 1HB HIS 88 3.352 -8.699 1.010 685 HB3 HIS 88 2HB HIS 88 2.287 -7.374 1.422 686 HD1 HIS 88 1HD HIS 88 2.407 -11.272 1.766 687 HD2 HIS 88 2HD HIS 88 0.259 -7.900 3.105 688 HE1 HIS 88 1HE HIS 88 1.318 -11.948 3.904 689 H ILE 89 H ILE 89 3.525 -9.901 -1.366 690 HA ILE 89 HA ILE 89 2.030 -12.444 -1.130 691 HB ILE 89 HB ILE 89 3.650 -11.444 -3.514 692 HG12 ILE 89 1HG1 ILE 89 0.867 -12.688 -3.377 693 HG13 ILE 89 2HG1 ILE 89 1.201 -10.965 -3.528 694 HG21 ILE 89 1HG2 ILE 89 4.405 -13.757 -2.832 695 HG22 ILE 89 2HG2 ILE 89 2.739 -14.316 -3.068 696 HG23 ILE 89 3HG2 ILE 89 3.682 -13.691 -4.432 697 HD11 ILE 89 3HD1 ILE 89 0.655 -11.780 -5.712 698 HD12 ILE 89 1HD1 ILE 89 2.392 -11.430 -5.699 699 HD13 ILE 89 2HD1 ILE 89 1.810 -13.110 -5.594 700 H ASN 90 H ASN 90 3.271 -13.549 0.367 701 HA ASN 90 HA ASN 90 4.991 -14.182 1.665 702 HB2 ASN 90 1HB ASN 90 6.870 -15.125 0.587 703 HB3 ASN 90 2HB ASN 90 5.459 -15.404 -0.392 704 HD21 ASN 90 1HD2 ASN 90 8.022 -12.862 -0.157 705 HD22 ASN 90 2HD2 ASN 90 8.378 -12.803 -1.873 706 H GLN 91 H GLN 91 4.580 -11.366 1.854 707 HA GLN 91 HA GLN 91 5.484 -9.497 2.734 708 HB2 GLN 91 1HB GLN 91 8.063 -11.005 3.280 709 HB3 GLN 91 2HB GLN 91 7.495 -9.539 4.049 710 HG2 GLN 91 1HG GLN 91 5.687 -10.735 5.166 711 HG3 GLN 91 2HG GLN 91 6.066 -12.215 4.297 712 HE21 GLN 91 1HE2 GLN 91 8.064 -13.356 4.765 713 HE22 GLN 91 2HE2 GLN 91 8.761 -13.217 6.355 714 H ALA 92 H ALA 92 6.019 -10.297 -0.221 715 HA ALA 92 HA ALA 92 8.154 -8.322 -0.819 716 HB1 ALA 92 1HB ALA 92 8.826 -10.622 -1.491 717 HB2 ALA 92 2HB ALA 92 7.298 -10.803 -2.387 718 HB3 ALA 92 3HB ALA 92 8.492 -9.624 -2.910 719 H THR 93 H THR 93 7.737 -7.320 -2.981 720 HA THR 93 HA THR 93 4.868 -7.079 -3.622 721 HB THR 93 HB THR 93 5.556 -5.102 -2.465 722 HG1 THR 93 1HG THR 93 4.383 -4.032 -3.569 723 HG21 THR 93 3HG2 THR 93 7.550 -4.364 -4.646 724 HG22 THR 93 1HG2 THR 93 7.110 -3.439 -3.218 725 HG23 THR 93 2HG2 THR 93 7.996 -4.947 -3.033 726 H THR 94 H THR 94 4.812 -8.498 -5.268 727 HA THR 94 HA THR 94 7.136 -8.830 -7.009 728 HB THR 94 HB THR 94 5.940 -10.608 -8.030 729 HG1 THR 94 1HG THR 94 3.818 -11.051 -7.613 730 HG21 THR 94 3HG2 THR 94 5.350 -12.096 -6.173 731 HG22 THR 94 1HG2 THR 94 6.810 -11.167 -5.771 732 HG23 THR 94 2HG2 THR 94 5.244 -10.730 -5.062 733 H LYS 95 H LYS 95 6.749 -8.675 -9.442 734 HA LYS 95 HA LYS 95 5.501 -6.212 -10.175 735 HB2 LYS 95 1HB LYS 95 6.610 -8.512 -11.762 736 HB3 LYS 95 2HB LYS 95 5.628 -7.264 -12.557 737 HG2 LYS 95 1HG LYS 95 7.113 -5.499 -11.500 738 HG3 LYS 95 2HG LYS 95 8.144 -6.807 -10.891 739 HD2 LYS 95 1HD LYS 95 9.125 -5.974 -12.919 740 HD3 LYS 95 2HD LYS 95 8.459 -7.572 -13.248 741 HE2 LYS 95 1HE LYS 95 6.453 -5.505 -13.732 742 HE3 LYS 95 2HE LYS 95 7.930 -5.111 -14.604 743 HZ1 LYS 95 3HZ LYS 95 6.337 -6.606 -15.851 744 HZ2 LYS 95 1HZ LYS 95 7.866 -7.172 -15.717 745 HZ3 LYS 95 2HZ LYS 95 6.711 -7.789 -14.764 746 H THR 96 H THR 96 3.885 -9.068 -9.229 747 HA THR 96 HA THR 96 1.514 -8.469 -10.842 748 HB THR 96 HB THR 96 1.833 -10.435 -8.557 749 HG1 THR 96 1HG THR 96 2.796 -11.678 -9.871 750 HG21 THR 96 3HG2 THR 96 -0.120 -10.401 -10.901 751 HG22 THR 96 1HG2 THR 96 -0.038 -11.603 -9.600 752 HG23 THR 96 2HG2 THR 96 -0.514 -9.934 -9.236 753 H THR 97 H THR 97 2.682 -7.857 -7.438 754 HA THR 97 HA THR 97 0.068 -6.619 -6.831 755 HB THR 97 HB THR 97 1.241 -6.275 -4.576 756 HG1 THR 97 1HG THR 97 3.365 -6.296 -5.064 757 HG21 THR 97 3HG2 THR 97 1.261 -8.619 -3.880 758 HG22 THR 97 1HG2 THR 97 -0.135 -8.286 -4.912 759 HG23 THR 97 2HG2 THR 97 1.266 -9.158 -5.572 760 H PHE 98 H PHE 98 2.931 -5.675 -8.263 761 HA PHE 98 HA PHE 98 3.533 -3.175 -7.161 762 HB2 PHE 98 1HB PHE 98 5.206 -3.964 -8.468 763 HB3 PHE 98 2HB PHE 98 4.115 -4.763 -9.575 764 HD1 PHE 98 2HD PHE 98 5.290 -1.293 -8.765 765 HD2 PHE 98 1HD PHE 98 3.795 -4.047 -11.705 766 HE1 PHE 98 2HE PHE 98 6.024 0.257 -10.581 767 HE2 PHE 98 1HE PHE 98 4.494 -2.487 -13.530 768 HZ PHE 98 HZ PHE 98 5.685 -0.384 -12.961 769 H LYS 99 H LYS 99 1.613 -3.813 -10.180 770 HA LYS 99 HA LYS 99 1.018 -1.072 -10.599 771 HB2 LYS 99 1HB LYS 99 -0.370 -3.640 -11.469 772 HB3 LYS 99 2HB LYS 99 -1.009 -2.060 -11.874 773 HG2 LYS 99 1HG LYS 99 1.387 -1.479 -12.763 774 HG3 LYS 99 2HG LYS 99 1.579 -3.230 -12.851 775 HD2 LYS 99 1HD LYS 99 -0.446 -3.373 -14.305 776 HD3 LYS 99 2HD LYS 99 -0.633 -1.613 -14.189 777 HE2 LYS 99 1HE LYS 99 2.060 -2.037 -14.947 778 HE3 LYS 99 2HE LYS 99 1.154 -3.233 -15.876 779 HZ1 LYS 99 3HZ LYS 99 1.362 -1.150 -17.034 780 HZ2 LYS 99 1HZ LYS 99 -0.217 -1.423 -16.729 781 HZ3 LYS 99 2HZ LYS 99 0.600 -0.319 -15.830 782 HA PRO 100 HA PRO 100 -3.129 -1.774 -8.341 783 HB2 PRO 100 1HB PRO 100 -3.353 -3.660 -6.377 784 HB3 PRO 100 2HB PRO 100 -3.862 -3.907 -8.050 785 HG2 PRO 100 1HG PRO 100 -1.338 -4.830 -6.791 786 HG3 PRO 100 2HG PRO 100 -2.392 -5.691 -7.947 787 HD2 PRO 100 1HD PRO 100 -0.122 -4.495 -8.772 788 HD3 PRO 100 2HD PRO 100 -1.596 -4.495 -9.776 789 H ASN 101 H ASN 101 0.009 -2.454 -6.616 790 HA ASN 101 HA ASN 101 -0.646 -1.092 -4.242 791 HB2 ASN 101 1HB ASN 101 1.833 -2.102 -5.576 792 HB3 ASN 101 2HB ASN 101 2.044 -0.712 -4.584 793 HD21 ASN 101 1HD2 ASN 101 1.383 -4.111 -4.494 794 HD22 ASN 101 2HD2 ASN 101 1.455 -4.284 -2.750 795 H THR 102 H THR 102 0.443 0.264 -7.426 796 HA THR 102 HA THR 102 0.967 2.787 -6.222 797 HB THR 102 HB THR 102 1.498 3.590 -8.137 798 HG1 THR 102 1HG THR 102 0.281 3.977 -9.609 799 HG21 THR 102 3HG2 THR 102 1.190 0.767 -9.217 800 HG22 THR 102 1HG2 THR 102 2.233 2.033 -9.866 801 HG23 THR 102 2HG2 THR 102 2.568 1.372 -8.270 802 H TRP 103 H TRP 103 -2.048 1.323 -7.047 803 HA TRP 103 HA TRP 103 -3.711 3.729 -6.744 804 HB2 TRP 103 1HB TRP 103 -4.501 0.781 -6.875 805 HB3 TRP 103 2HB TRP 103 -5.569 2.148 -6.876 806 HD1 TRP 103 HD TRP 103 -3.375 0.157 -9.168 807 HE1 TRP 103 1HE TRP 103 -4.280 0.418 -11.567 808 HE3 TRP 103 3HE TRP 103 -6.554 4.018 -8.365 809 HZ2 TRP 103 2HZ TRP 103 -6.295 2.085 -12.927 810 HZ3 TRP 103 3HZ TRP 103 -7.970 4.917 -10.183 811 HH2 TRP 103 HH TRP 103 -7.826 3.973 -12.470 812 H CYS 104 H CYS 104 -1.836 2.099 -4.591 813 HA CYS 104 HA CYS 104 -3.758 2.940 -2.452 814 HB2 CYS 104 1HB CYS 104 -2.847 0.638 -2.010 815 HB3 CYS 104 2HB CYS 104 -1.210 1.329 -2.019 816 HG CYS 104 HG CYS 104 -1.251 2.575 0.041 817 H LEU 105 H LEU 105 -0.391 3.278 -3.820 818 HA LEU 105 HA LEU 105 0.505 5.239 -1.977 819 HB2 LEU 105 1HB LEU 105 1.109 4.910 -4.966 820 HB3 LEU 105 2HB LEU 105 2.020 5.949 -3.889 821 HG LEU 105 HG LEU 105 1.834 2.936 -3.579 822 HD11 LEU 105 1HD1 LEU 105 3.021 3.512 -5.644 823 HD12 LEU 105 2HD1 LEU 105 4.038 4.649 -4.756 824 HD13 LEU 105 3HD1 LEU 105 4.159 2.918 -4.417 825 HD21 LEU 105 3HD2 LEU 105 3.736 3.209 -2.052 826 HD22 LEU 105 1HD2 LEU 105 3.663 4.975 -2.232 827 HD23 LEU 105 2HD2 LEU 105 2.339 4.091 -1.441 828 H ARG 106 H ARG 106 -1.377 5.515 -5.016 829 HA ARG 106 HA ARG 106 -1.402 8.400 -5.052 830 HB2 ARG 106 1HB ARG 106 -3.166 6.263 -6.295 831 HB3 ARG 106 2HB ARG 106 -3.345 7.997 -6.646 832 HG2 ARG 106 1HG ARG 106 -0.977 8.094 -7.258 833 HG3 ARG 106 2HG ARG 106 -0.819 6.346 -7.093 834 HD2 ARG 106 1HD ARG 106 -1.777 6.009 -9.148 835 HD3 ARG 106 2HD ARG 106 -3.104 7.114 -8.770 836 HE ARG 106 HE ARG 106 -0.848 8.709 -9.206 837 HH11 ARG 106 2HH2 ARG 106 -3.112 6.725 -11.006 838 HH12 ARG 106 1HH2 ARG 106 -2.951 7.589 -12.487 839 HH21 ARG 106 2HH1 ARG 106 -0.574 9.884 -11.192 840 HH22 ARG 106 1HH1 ARG 106 -1.276 9.303 -12.648 841 H CYS 107 H CYS 107 -3.089 6.352 -2.924 842 HA CYS 107 HA CYS 107 -5.246 8.310 -2.392 843 HB2 CYS 107 1HB CYS 107 -4.722 5.413 -1.726 844 HB3 CYS 107 2HB CYS 107 -5.539 6.352 -0.513 845 HG CYS 107 HG CYS 107 -7.382 5.156 -1.847 846 H LEU 108 H LEU 108 -1.976 7.318 -1.089 847 HA LEU 108 HA LEU 108 -2.423 8.688 1.411 848 HB2 LEU 108 1HB LEU 108 0.058 7.877 -0.143 849 HB3 LEU 108 2HB LEU 108 0.087 8.562 1.463 850 HG LEU 108 HG LEU 108 0.464 6.186 1.252 851 HD11 LEU 108 1HD1 LEU 108 -0.947 5.579 3.278 852 HD12 LEU 108 2HD1 LEU 108 -0.262 7.205 3.429 853 HD13 LEU 108 3HD1 LEU 108 -1.963 6.991 2.963 854 HD21 LEU 108 3HD2 LEU 108 -0.939 5.487 -0.359 855 HD22 LEU 108 1HD2 LEU 108 -1.163 4.514 1.095 856 HD23 LEU 108 2HD2 LEU 108 -2.409 5.709 0.659 857 H TRP 109 H TRP 109 -1.697 9.707 -1.854 858 HA TRP 109 HA TRP 109 0.029 11.887 -1.491 859 HB2 TRP 109 1HB TRP 109 -2.030 11.116 -3.589 860 HB3 TRP 109 2HB TRP 109 -0.969 12.459 -3.743 861 HD1 TRP 109 HD TRP 109 1.052 9.760 -2.265 862 HE1 TRP 109 1HE TRP 109 2.457 8.587 -3.999 863 HE3 TRP 109 3HE TRP 109 -1.333 11.437 -6.427 864 HZ2 TRP 109 2HZ TRP 109 2.555 8.394 -6.921 865 HZ3 TRP 109 3HZ TRP 109 -0.570 10.807 -8.668 866 HH2 TRP 109 HH TRP 109 1.362 9.250 -8.953 867 H SER 110 H SER 110 -0.545 14.187 -1.955 868 HA SER 110 HA SER 110 -3.028 15.069 -0.558 869 HB2 SER 110 1HB SER 110 -0.150 16.074 -0.379 870 HB3 SER 110 2HB SER 110 -1.543 16.955 0.252 871 HG SER 110 HG SER 110 -1.984 15.309 1.640 872 H THR 111 H THR 111 -3.936 17.056 -1.378 873 HA THR 111 HA THR 111 -3.455 17.513 -4.188 874 HB THR 111 HB THR 111 -5.295 19.184 -3.877 875 HG1 THR 111 1HG THR 111 -5.229 19.905 -1.874 876 HG21 THR 111 3HG2 THR 111 -5.857 16.498 -2.521 877 HG22 THR 111 1HG2 THR 111 -7.023 17.545 -3.352 878 HG23 THR 111 2HG2 THR 111 -5.742 16.721 -4.260 879 H LYS 112 H LYS 112 -1.502 18.441 -4.741 880 HA LYS 112 HA LYS 112 -0.662 20.906 -3.324 881 HB2 LYS 112 1HB LYS 112 0.369 18.245 -2.866 882 HB3 LYS 112 2HB LYS 112 1.612 19.276 -3.575 883 HG2 LYS 112 1HG LYS 112 0.023 20.304 -1.239 884 HG3 LYS 112 2HG LYS 112 1.359 19.173 -0.982 885 HD2 LYS 112 1HD LYS 112 2.918 20.632 -2.159 886 HD3 LYS 112 2HD LYS 112 1.602 21.743 -2.584 887 HE2 LYS 112 1HE LYS 112 1.244 22.088 -0.087 888 HE3 LYS 112 2HE LYS 112 2.730 21.157 0.185 889 HZ1 LYS 112 3HZ LYS 112 3.884 22.809 -1.211 890 HZ2 LYS 112 1HZ LYS 112 2.498 23.693 -1.317 891 HZ3 LYS 112 2HZ LYS 112 3.262 23.452 0.137 892 HA PRO 113 HA PRO 113 -0.241 21.165 -7.871 893 HB2 PRO 113 1HB PRO 113 -0.510 23.884 -8.146 894 HB3 PRO 113 2HB PRO 113 -1.882 22.798 -7.833 895 HG2 PRO 113 1HG PRO 113 -0.332 24.459 -5.834 896 HG3 PRO 113 2HG PRO 113 -2.101 24.269 -6.015 897 HD2 PRO 113 1HD PRO 113 -0.609 22.796 -4.181 898 HD3 PRO 113 2HD PRO 113 -2.084 22.152 -4.978 899 H VAL 114 H VAL 114 1.807 20.808 -8.553 900 HA VAL 114 HA VAL 114 3.920 22.847 -7.999 901 HB VAL 114 HB VAL 114 4.103 20.996 -6.503 902 HG11 VAL 114 1HG1 VAL 114 3.072 19.176 -7.619 903 HG12 VAL 114 2HG1 VAL 114 4.277 19.181 -8.926 904 HG13 VAL 114 3HG1 VAL 114 4.726 18.717 -7.261 905 HG21 VAL 114 3HG2 VAL 114 6.398 20.458 -6.699 906 HG22 VAL 114 1HG2 VAL 114 6.415 20.770 -8.446 907 HG23 VAL 114 2HG2 VAL 114 6.174 22.105 -7.295 908 H ASP 115 H ASP 115 2.215 22.965 -10.144 909 HA ASP 115 HA ASP 115 3.478 22.157 -12.627 910 HB2 ASP 115 1HB ASP 115 1.952 23.849 -13.577 911 HB3 ASP 115 2HB ASP 115 1.104 22.751 -12.502 912 H THR 116 H THR 116 4.269 24.503 -10.185 913 HA THR 116 HA THR 116 6.326 25.804 -11.675 914 HB THR 116 HB THR 116 3.770 27.258 -10.818 915 HG1 THR 116 1HG THR 116 4.377 26.156 -13.031 916 HG21 THR 116 3HG2 THR 116 6.386 28.443 -11.873 917 HG22 THR 116 1HG2 THR 116 4.855 29.331 -11.743 918 HG23 THR 116 2HG2 THR 116 5.666 28.757 -10.282 Start of MODEL 15 1 H1 MET 1 H MET 1 -23.599 -21.959 10.623 2 HA MET 1 HA MET 1 -22.741 -21.838 8.320 3 HB2 MET 1 1HB MET 1 -24.582 -19.550 9.163 4 HB3 MET 1 2HB MET 1 -24.224 -19.967 7.486 5 HG2 MET 1 1HG MET 1 -25.226 -22.137 7.686 6 HG3 MET 1 2HG MET 1 -25.378 -21.975 9.439 7 HE1 MET 1 3HE MET 1 -26.584 -20.502 5.977 8 HE2 MET 1 1HE MET 1 -27.966 -19.503 6.474 9 HE3 MET 1 2HE MET 1 -26.320 -18.997 6.890 10 H TYR 2 H TYR 2 -21.782 -20.249 6.599 11 HA TYR 2 HA TYR 2 -20.572 -17.884 7.663 12 HB2 TYR 2 1HB TYR 2 -18.937 -19.815 8.154 13 HB3 TYR 2 2HB TYR 2 -18.751 -19.985 6.415 14 HD1 TYR 2 1HD TYR 2 -18.841 -17.149 8.929 15 HD2 TYR 2 2HD TYR 2 -16.724 -19.003 5.651 16 HE1 TYR 2 1HE TYR 2 -17.123 -15.374 9.028 17 HE2 TYR 2 2HE TYR 2 -15.007 -17.237 5.762 18 HH TYR 2 HH TYR 2 -14.479 -15.115 6.658 19 H THR 3 H THR 3 -19.480 -16.724 5.756 20 HA THR 3 HA THR 3 -20.746 -17.416 3.176 21 HB THR 3 HB THR 3 -20.977 -14.683 4.479 22 HG1 THR 3 1HG THR 3 -23.337 -15.560 4.542 23 HG21 THR 3 3HG2 THR 3 -22.720 -15.851 2.272 24 HG22 THR 3 1HG2 THR 3 -22.782 -14.213 2.955 25 HG23 THR 3 2HG2 THR 3 -21.410 -14.709 1.992 26 H GLU 4 H GLU 4 -17.983 -16.954 4.589 27 HA GLU 4 HA GLU 4 -16.073 -15.620 4.452 28 HB2 GLU 4 1HB GLU 4 -16.014 -17.566 2.822 29 HB3 GLU 4 2HB GLU 4 -16.413 -16.407 1.550 30 HG2 GLU 4 1HG GLU 4 -14.314 -15.087 2.487 31 HG3 GLU 4 2HG GLU 4 -13.934 -16.615 3.282 32 H GLN 5 H GLN 5 -17.420 -13.603 4.983 33 HA GLN 5 HA GLN 5 -17.612 -11.631 2.805 34 HB2 GLN 5 1HB GLN 5 -18.064 -11.613 5.781 35 HB3 GLN 5 2HB GLN 5 -17.438 -10.129 5.070 36 HG2 GLN 5 1HG GLN 5 -19.820 -9.982 5.117 37 HG3 GLN 5 2HG GLN 5 -19.282 -10.054 3.441 38 HE21 GLN 5 1HE2 GLN 5 -19.881 -11.948 2.150 39 HE22 GLN 5 2HE2 GLN 5 -21.067 -13.063 2.778 40 HA PRO 6 HA PRO 6 -13.281 -10.780 2.911 41 HB2 PRO 6 1HB PRO 6 -13.118 -8.278 1.906 42 HB3 PRO 6 2HB PRO 6 -13.681 -9.648 0.903 43 HG2 PRO 6 1HG PRO 6 -15.357 -7.601 2.387 44 HG3 PRO 6 2HG PRO 6 -15.524 -8.134 0.682 45 HD2 PRO 6 1HD PRO 6 -17.027 -9.219 2.720 46 HD3 PRO 6 2HD PRO 6 -16.498 -10.187 1.317 47 H ILE 7 H ILE 7 -11.687 -9.301 3.802 48 HA ILE 7 HA ILE 7 -12.407 -8.912 6.575 49 HB ILE 7 HB ILE 7 -9.742 -8.765 5.115 50 HG12 ILE 7 1HG1 ILE 7 -10.963 -10.952 6.894 51 HG13 ILE 7 2HG1 ILE 7 -10.998 -11.008 5.136 52 HG21 ILE 7 1HG2 ILE 7 -8.813 -8.966 7.474 53 HG22 ILE 7 2HG2 ILE 7 -9.660 -7.444 7.175 54 HG23 ILE 7 3HG2 ILE 7 -10.474 -8.733 8.068 55 HD11 ILE 7 3HD1 ILE 7 -9.225 -12.401 5.826 56 HD12 ILE 7 1HD1 ILE 7 -8.509 -10.959 5.078 57 HD13 ILE 7 2HD1 ILE 7 -8.533 -11.138 6.855 58 H ASP 8 H ASP 8 -13.874 -7.344 6.292 59 HA ASP 8 HA ASP 8 -14.869 -5.456 5.906 60 HB2 ASP 8 1HB ASP 8 -12.958 -4.954 7.918 61 HB3 ASP 8 2HB ASP 8 -12.891 -3.561 6.899 62 H LEU 9 H LEU 9 -13.165 -6.404 3.688 63 HA LEU 9 HA LEU 9 -11.639 -4.137 2.919 64 HB2 LEU 9 1HB LEU 9 -11.101 -6.721 2.707 65 HB3 LEU 9 2HB LEU 9 -11.979 -6.565 1.172 66 HG LEU 9 HG LEU 9 -10.456 -4.565 0.636 67 HD11 LEU 9 1HD1 LEU 9 -8.216 -4.684 1.772 68 HD12 LEU 9 2HD1 LEU 9 -9.490 -4.055 2.831 69 HD13 LEU 9 3HD1 LEU 9 -8.939 -5.727 3.017 70 HD21 LEU 9 3HD2 LEU 9 -10.190 -6.771 -0.338 71 HD22 LEU 9 1HD2 LEU 9 -8.625 -5.995 -0.040 72 HD23 LEU 9 2HD2 LEU 9 -9.206 -7.301 1.036 73 H VAL 10 H VAL 10 -12.145 -2.627 1.621 74 HA VAL 10 HA VAL 10 -14.591 -2.813 -0.070 75 HB VAL 10 HB VAL 10 -15.185 -0.528 0.784 76 HG11 VAL 10 1HG1 VAL 10 -16.519 -1.493 2.633 77 HG12 VAL 10 2HG1 VAL 10 -16.440 -2.646 1.277 78 HG13 VAL 10 3HG1 VAL 10 -15.438 -2.886 2.710 79 HG21 VAL 10 3HG2 VAL 10 -13.198 0.024 2.112 80 HG22 VAL 10 1HG2 VAL 10 -14.665 0.045 3.098 81 HG23 VAL 10 2HG2 VAL 10 -13.528 -1.304 3.214 82 HA PRO 11 HA PRO 11 -11.699 -0.927 -2.803 83 HB2 PRO 11 1HB PRO 11 -13.594 -0.022 -4.695 84 HB3 PRO 11 2HB PRO 11 -12.571 -1.465 -4.779 85 HG2 PRO 11 1HG PRO 11 -15.417 -1.407 -4.378 86 HG3 PRO 11 2HG PRO 11 -14.332 -2.826 -4.357 87 HD2 PRO 11 1HD PRO 11 -15.543 -1.385 -2.090 88 HD3 PRO 11 2HD PRO 11 -14.782 -3.000 -2.153 89 H THR 12 H THR 12 -11.093 1.213 -3.502 90 HA THR 12 HA THR 12 -12.879 3.361 -3.395 91 HB THR 12 HB THR 12 -12.086 3.134 -0.941 92 HG1 THR 12 1HG THR 12 -11.743 5.670 -1.156 93 HG21 THR 12 3HG2 THR 12 -9.658 2.971 -1.304 94 HG22 THR 12 1HG2 THR 12 -9.654 4.653 -1.923 95 HG23 THR 12 2HG2 THR 12 -10.116 4.317 -0.254 96 H GLN 13 H GLN 13 -11.182 5.396 -3.788 97 HA GLN 13 HA GLN 13 -9.310 4.552 -5.920 98 HB2 GLN 13 1HB GLN 13 -11.781 6.221 -6.470 99 HB3 GLN 13 2HB GLN 13 -10.518 5.956 -7.615 100 HG2 GLN 13 1HG GLN 13 -11.810 4.336 -8.422 101 HG3 GLN 13 2HG GLN 13 -11.134 3.354 -7.140 102 HE21 GLN 13 1HE2 GLN 13 -13.912 5.554 -7.931 103 HE22 GLN 13 2HE2 GLN 13 -15.033 4.781 -6.861 104 HA PRO 14 HA PRO 14 -7.170 7.996 -4.511 105 HB2 PRO 14 1HB PRO 14 -5.915 9.108 -6.733 106 HB3 PRO 14 2HB PRO 14 -5.446 7.562 -5.976 107 HG2 PRO 14 1HG PRO 14 -7.224 8.004 -8.385 108 HG3 PRO 14 2HG PRO 14 -5.919 6.803 -8.169 109 HD2 PRO 14 1HD PRO 14 -8.554 6.173 -7.850 110 HD3 PRO 14 2HD PRO 14 -7.310 5.440 -6.799 111 H LEU 15 H LEU 15 -6.877 10.240 -4.315 112 HA LEU 15 HA LEU 15 -9.244 11.865 -4.719 113 HB2 LEU 15 1HB LEU 15 -6.436 12.343 -3.679 114 HB3 LEU 15 2HB LEU 15 -7.581 13.664 -3.873 115 HG LEU 15 HG LEU 15 -8.711 11.406 -2.342 116 HD11 LEU 15 1HD1 LEU 15 -6.323 12.902 -1.191 117 HD12 LEU 15 2HD1 LEU 15 -7.419 11.828 -0.296 118 HD13 LEU 15 3HD1 LEU 15 -6.387 11.162 -1.569 119 HD21 LEU 15 3HD2 LEU 15 -8.347 14.376 -1.738 120 HD22 LEU 15 1HD2 LEU 15 -9.786 13.621 -2.478 121 HD23 LEU 15 2HD2 LEU 15 -9.339 13.239 -0.807 122 HA PRO 16 HA PRO 16 -7.834 13.819 -8.523 123 HB2 PRO 16 1HB PRO 16 -9.195 16.183 -8.374 124 HB3 PRO 16 2HB PRO 16 -9.987 14.650 -8.776 125 HG2 PRO 16 1HG PRO 16 -9.939 16.103 -6.133 126 HG3 PRO 16 2HG PRO 16 -11.296 15.202 -6.880 127 HD2 PRO 16 1HD PRO 16 -9.604 14.243 -4.896 128 HD3 PRO 16 2HD PRO 16 -10.508 13.191 -6.002 129 H ASN 17 H ASN 17 -6.310 15.317 -9.050 130 HA ASN 17 HA ASN 17 -4.382 16.293 -8.893 131 HB2 ASN 17 1HB ASN 17 -4.382 18.506 -8.622 132 HB3 ASN 17 2HB ASN 17 -6.112 18.236 -8.742 133 HD21 ASN 17 1HD2 ASN 17 -6.937 17.656 -6.149 134 HD22 ASN 17 2HD2 ASN 17 -6.629 19.163 -5.292 135 H ALA 18 H ALA 18 -5.115 14.606 -6.278 136 HA ALA 18 HA ALA 18 -3.039 15.224 -4.451 137 HB1 ALA 18 1HB ALA 18 -3.060 12.822 -3.952 138 HB2 ALA 18 2HB ALA 18 -4.669 13.536 -3.983 139 HB3 ALA 18 3HB ALA 18 -4.112 12.534 -5.358 140 H SER 19 H SER 19 -0.845 14.652 -4.408 141 HA SER 19 HA SER 19 0.527 13.711 -6.793 142 HB2 SER 19 1HB SER 19 1.899 15.940 -6.522 143 HB3 SER 19 2HB SER 19 0.423 15.915 -7.469 144 HG SER 19 HG SER 19 0.538 17.710 -6.041 145 H PHE 20 H PHE 20 2.632 13.093 -6.191 146 HA PHE 20 HA PHE 20 2.735 11.967 -3.736 147 HB2 PHE 20 1HB PHE 20 4.036 11.173 -5.673 148 HB3 PHE 20 2HB PHE 20 5.041 12.608 -5.612 149 HD1 PHE 20 1HD PHE 20 3.991 10.535 -2.610 150 HD2 PHE 20 2HD PHE 20 7.165 11.582 -5.342 151 HE1 PHE 20 1HE PHE 20 5.666 9.668 -1.016 152 HE2 PHE 20 2HE PHE 20 8.803 10.658 -3.799 153 HZ PHE 20 HZ PHE 20 8.055 9.765 -1.544 154 H ASP 21 H ASP 21 3.406 12.445 -1.800 155 HA ASP 21 HA ASP 21 3.885 15.194 -1.165 156 HB2 ASP 21 1HB ASP 21 2.328 13.507 0.002 157 HB3 ASP 21 2HB ASP 21 3.773 12.694 0.583 158 H ASN 22 H ASN 22 5.597 14.882 1.149 159 HA ASN 22 HA ASN 22 8.039 13.509 0.151 160 HB2 ASN 22 1HB ASN 22 7.871 16.003 1.838 161 HB3 ASN 22 2HB ASN 22 9.126 14.784 2.150 162 HD21 ASN 22 1HD2 ASN 22 10.936 14.798 1.117 163 HD22 ASN 22 2HD2 ASN 22 11.217 15.352 -0.484 164 H PHE 23 H PHE 23 5.812 12.075 0.891 165 HA PHE 23 HA PHE 23 6.292 11.314 3.686 166 HB2 PHE 23 1HB PHE 23 4.473 9.888 3.621 167 HB3 PHE 23 2HB PHE 23 3.950 11.269 2.750 168 HD1 PHE 23 1HD PHE 23 5.497 7.869 2.027 169 HD2 PHE 23 2HD PHE 23 2.657 10.882 0.829 170 HE1 PHE 23 1HE PHE 23 4.909 6.532 0.058 171 HE2 PHE 23 2HE PHE 23 2.046 9.518 -1.103 172 HZ PHE 23 HZ PHE 23 3.175 7.337 -1.542 173 H LYS 24 H LYS 24 7.732 9.847 4.251 174 HA LYS 24 HA LYS 24 8.817 7.970 2.217 175 HB2 LYS 24 1HB LYS 24 10.514 8.779 3.671 176 HB3 LYS 24 2HB LYS 24 9.550 8.573 5.122 177 HG2 LYS 24 1HG LYS 24 9.787 6.201 5.008 178 HG3 LYS 24 2HG LYS 24 10.205 6.287 3.292 179 HD2 LYS 24 1HD LYS 24 12.363 7.625 4.413 180 HD3 LYS 24 2HD LYS 24 11.952 6.448 5.696 181 HE2 LYS 24 1HE LYS 24 11.658 4.669 3.923 182 HE3 LYS 24 2HE LYS 24 12.279 5.775 2.718 183 HZ1 LYS 24 3HZ LYS 24 13.745 4.624 4.999 184 HZ2 LYS 24 1HZ LYS 24 13.885 4.251 3.408 185 HZ3 LYS 24 2HZ LYS 24 14.426 5.697 3.906 186 H LEU 25 H LEU 25 8.244 5.836 2.492 187 HA LEU 25 HA LEU 25 6.211 5.260 4.619 188 HB2 LEU 25 1HB LEU 25 5.467 3.319 3.270 189 HB3 LEU 25 2HB LEU 25 5.043 4.919 2.679 190 HG LEU 25 HG LEU 25 6.994 4.690 1.034 191 HD11 LEU 25 1HD1 LEU 25 8.045 2.657 2.196 192 HD12 LEU 25 2HD1 LEU 25 6.650 1.722 1.683 193 HD13 LEU 25 3HD1 LEU 25 7.748 2.488 0.494 194 HD21 LEU 25 3HD2 LEU 25 5.653 3.587 -0.573 195 HD22 LEU 25 1HD2 LEU 25 4.730 2.714 0.681 196 HD23 LEU 25 2HD2 LEU 25 4.535 4.449 0.494 197 H THR 26 H THR 26 6.585 3.434 5.909 198 HA THR 26 HA THR 26 9.120 2.013 5.470 199 HB THR 26 HB THR 26 9.565 1.964 7.839 200 HG1 THR 26 1HG THR 26 7.257 3.576 8.092 201 HG21 THR 26 3HG2 THR 26 9.008 4.862 7.040 202 HG22 THR 26 1HG2 THR 26 10.054 4.317 8.343 203 HG23 THR 26 2HG2 THR 26 10.491 3.941 6.666 204 H CYS 27 H CYS 27 8.956 -0.112 6.502 205 HA CYS 27 HA CYS 27 6.481 -1.340 7.188 206 HB2 CYS 27 1HB CYS 27 7.777 -2.464 4.798 207 HB3 CYS 27 2HB CYS 27 6.226 -2.815 5.335 208 HG CYS 27 HG CYS 27 6.361 -1.738 2.823 209 H SER 28 H SER 28 7.036 -3.579 7.851 210 HA SER 28 HA SER 28 9.429 -4.024 9.136 211 HB2 SER 28 1HB SER 28 8.590 -6.524 8.687 212 HB3 SER 28 2HB SER 28 7.707 -5.452 9.758 213 HG SER 28 HG SER 28 6.247 -6.319 8.411 214 H ASN 29 H ASN 29 8.460 -5.391 6.031 215 HA ASN 29 HA ASN 29 11.129 -6.559 5.738 216 HB2 ASN 29 1HB ASN 29 9.128 -7.618 4.694 217 HB3 ASN 29 2HB ASN 29 9.100 -6.334 3.499 218 HD21 ASN 29 1HD2 ASN 29 9.362 -8.726 2.425 219 HD22 ASN 29 2HD2 ASN 29 10.971 -9.420 2.406 220 H THR 30 H THR 30 12.844 -5.358 5.367 221 HA THR 30 HA THR 30 13.061 -2.771 4.492 222 HB THR 30 HB THR 30 15.440 -3.422 3.972 223 HG1 THR 30 1HG THR 30 15.963 -5.413 3.776 224 HG21 THR 30 3HG2 THR 30 16.003 -4.086 6.266 225 HG22 THR 30 1HG2 THR 30 14.692 -2.885 6.292 226 HG23 THR 30 2HG2 THR 30 14.336 -4.598 6.580 227 H LYS 31 H LYS 31 13.293 -5.714 2.440 228 HA LYS 31 HA LYS 31 13.642 -4.417 -0.055 229 HB2 LYS 31 1HB LYS 31 13.855 -6.846 0.144 230 HB3 LYS 31 2HB LYS 31 12.164 -7.000 0.618 231 HG2 LYS 31 1HG LYS 31 12.292 -7.719 -1.648 232 HG3 LYS 31 2HG LYS 31 11.452 -6.190 -1.671 233 HD2 LYS 31 1HD LYS 31 12.983 -6.206 -3.503 234 HD3 LYS 31 2HD LYS 31 13.653 -5.080 -2.315 235 HE2 LYS 31 1HE LYS 31 15.204 -6.866 -1.517 236 HE3 LYS 31 2HE LYS 31 14.466 -8.015 -2.639 237 HZ1 LYS 31 3HZ LYS 31 15.261 -6.588 -4.464 238 HZ2 LYS 31 1HZ LYS 31 15.976 -5.587 -3.387 239 HZ3 LYS 31 2HZ LYS 31 16.499 -7.145 -3.506 240 H PHE 32 H PHE 32 10.573 -5.343 1.565 241 HA PHE 32 HA PHE 32 8.879 -4.615 -0.590 242 HB2 PHE 32 1HB PHE 32 8.290 -6.014 1.404 243 HB3 PHE 32 2HB PHE 32 8.333 -4.535 2.384 244 HD1 PHE 32 1HD PHE 32 6.671 -5.994 -0.637 245 HD2 PHE 32 2HD PHE 32 6.263 -3.478 2.802 246 HE1 PHE 32 1HE PHE 32 4.231 -5.777 -1.104 247 HE2 PHE 32 2HE PHE 32 3.860 -3.142 2.273 248 HZ PHE 32 HZ PHE 32 2.827 -4.354 0.341 249 H ALA 33 H ALA 33 9.805 -2.802 2.383 250 HA ALA 33 HA ALA 33 8.317 -0.440 1.690 251 HB1 ALA 33 1HB ALA 33 9.546 0.554 3.564 252 HB2 ALA 33 2HB ALA 33 9.000 -1.080 3.999 253 HB3 ALA 33 3HB ALA 33 10.688 -0.809 3.577 254 H ASP 34 H ASP 34 11.528 -1.594 0.823 255 HA ASP 34 HA ASP 34 12.463 1.061 -0.076 256 HB2 ASP 34 1HB ASP 34 13.640 -1.719 -0.251 257 HB3 ASP 34 2HB ASP 34 14.188 -0.470 -1.359 258 H ASP 35 H ASP 35 11.278 -1.936 -1.603 259 HA ASP 35 HA ASP 35 11.210 -1.155 -4.309 260 HB2 ASP 35 1HB ASP 35 9.733 -3.156 -2.624 261 HB3 ASP 35 2HB ASP 35 8.930 -2.606 -4.077 262 H LEU 36 H LEU 36 8.733 -0.734 -1.703 263 HA LEU 36 HA LEU 36 6.876 0.362 -3.488 264 HB2 LEU 36 1HB LEU 36 6.666 -0.755 -1.172 265 HB3 LEU 36 2HB LEU 36 6.979 0.786 -0.479 266 HG LEU 36 HG LEU 36 4.874 1.645 -1.422 267 HD11 LEU 36 1HD1 LEU 36 3.308 0.098 -2.569 268 HD12 LEU 36 2HD1 LEU 36 4.720 0.489 -3.549 269 HD13 LEU 36 3HD1 LEU 36 4.591 -1.112 -2.723 270 HD21 LEU 36 3HD2 LEU 36 3.376 0.146 -0.125 271 HD22 LEU 36 1HD2 LEU 36 4.609 -1.138 -0.176 272 HD23 LEU 36 2HD2 LEU 36 4.914 0.355 0.729 273 H ASN 37 H ASN 37 9.427 1.825 -1.335 274 HA ASN 37 HA ASN 37 8.754 4.590 -1.873 275 HB2 ASN 37 1HB ASN 37 11.161 3.118 -0.727 276 HB3 ASN 37 2HB ASN 37 11.287 4.765 -1.211 277 HD21 ASN 37 1HD2 ASN 37 10.879 2.919 1.400 278 HD22 ASN 37 2HD2 ASN 37 9.978 3.997 2.433 279 H GLN 38 H GLN 38 10.466 2.041 -3.707 280 HA GLN 38 HA GLN 38 12.065 3.811 -5.283 281 HB2 GLN 38 1HB GLN 38 11.481 0.904 -4.950 282 HB3 GLN 38 2HB GLN 38 11.963 1.398 -6.529 283 HG2 GLN 38 1HG GLN 38 13.519 2.348 -4.104 284 HG3 GLN 38 2HG GLN 38 13.723 0.711 -4.696 285 HE21 GLN 38 1HE2 GLN 38 15.025 0.347 -6.467 286 HE22 GLN 38 2HE2 GLN 38 15.694 1.632 -7.493 287 H MET 39 H MET 39 8.711 2.379 -5.490 288 HA MET 39 HA MET 39 8.250 3.210 -8.179 289 HB2 MET 39 1HB MET 39 6.487 2.690 -5.776 290 HB3 MET 39 2HB MET 39 5.915 2.922 -7.432 291 HG2 MET 39 1HG MET 39 6.780 0.851 -8.144 292 HG3 MET 39 2HG MET 39 7.922 0.743 -6.812 293 HE1 MET 39 3HE MET 39 4.321 1.746 -6.970 294 HE2 MET 39 1HE MET 39 3.700 0.129 -7.335 295 HE3 MET 39 2HE MET 39 3.558 0.809 -5.694 296 H THR 40 H THR 40 7.810 4.795 -4.901 297 HA THR 40 HA THR 40 6.395 6.982 -6.042 298 HB THR 40 HB THR 40 6.885 8.110 -3.861 299 HG1 THR 40 1HG THR 40 7.934 6.955 -2.290 300 HG21 THR 40 3HG2 THR 40 4.904 6.671 -3.986 301 HG22 THR 40 1HG2 THR 40 5.899 5.270 -3.478 302 HG23 THR 40 2HG2 THR 40 5.644 6.645 -2.383 303 H GLY 41 H GLY 41 9.830 6.324 -5.718 304 HA2 GLY 41 1HA GLY 41 11.642 7.605 -6.552 305 HA3 GLY 41 2HA GLY 41 10.529 8.909 -6.988 306 H PHE 42 H PHE 42 10.182 7.479 -3.838 307 HA PHE 42 HA PHE 42 10.129 9.776 -2.364 308 HB2 PHE 42 1HB PHE 42 9.338 7.899 -1.254 309 HB3 PHE 42 2HB PHE 42 10.708 6.907 -1.750 310 HD1 PHE 42 1HD PHE 42 9.951 9.954 0.325 311 HD2 PHE 42 2HD PHE 42 12.456 6.479 -0.250 312 HE1 PHE 42 1HE PHE 42 11.370 10.691 2.152 313 HE2 PHE 42 2HE PHE 42 13.790 7.108 1.697 314 HZ PHE 42 HZ PHE 42 13.274 9.220 2.917 315 H THR 43 H THR 43 11.491 11.295 -1.507 316 HA THR 43 HA THR 43 14.392 10.688 -1.486 317 HB THR 43 HB THR 43 12.996 13.058 -2.802 318 HG1 THR 43 1HG THR 43 12.918 11.311 -4.166 319 HG21 THR 43 3HG2 THR 43 15.949 12.331 -2.443 320 HG22 THR 43 1HG2 THR 43 15.352 13.563 -3.569 321 HG23 THR 43 2HG2 THR 43 15.097 13.771 -1.839 322 H LYS 44 H LYS 44 15.093 11.004 0.499 323 HA LYS 44 HA LYS 44 13.675 12.479 2.437 324 HB2 LYS 44 1HB LYS 44 16.409 11.263 2.162 325 HB3 LYS 44 2HB LYS 44 16.294 12.520 3.346 326 HG2 LYS 44 1HG LYS 44 14.067 10.964 3.959 327 HG3 LYS 44 2HG LYS 44 15.273 9.773 3.425 328 HD2 LYS 44 1HD LYS 44 16.861 10.653 5.086 329 HD3 LYS 44 2HD LYS 44 15.687 11.854 5.627 330 HE2 LYS 44 1HE LYS 44 15.272 8.824 5.777 331 HE3 LYS 44 2HE LYS 44 15.878 9.819 7.094 332 HZ1 LYS 44 3HZ LYS 44 13.168 10.030 5.954 333 HZ2 LYS 44 1HZ LYS 44 13.572 9.450 7.408 334 HZ3 LYS 44 2HZ LYS 44 13.794 11.032 7.111 335 HA PRO 45 HA PRO 45 14.779 13.624 4.336 336 HB2 PRO 45 1HB PRO 45 13.653 15.762 5.527 337 HB3 PRO 45 2HB PRO 45 15.438 15.622 5.341 338 HG2 PRO 45 1HG PRO 45 13.484 17.182 3.624 339 HG3 PRO 45 2HG PRO 45 15.101 17.673 4.209 340 HD2 PRO 45 1HD PRO 45 14.675 16.708 1.679 341 HD3 PRO 45 2HD PRO 45 16.193 16.402 2.576 342 H ALA 46 H ALA 46 12.902 12.499 4.924 343 HA ALA 46 HA ALA 46 10.566 13.023 3.301 344 HB1 ALA 46 1HB ALA 46 9.769 11.086 4.086 345 HB2 ALA 46 2HB ALA 46 11.498 10.751 4.261 346 HB3 ALA 46 3HB ALA 46 10.540 11.198 5.697 347 H SER 47 H SER 47 8.856 14.201 4.063 348 HA SER 47 HA SER 47 9.145 15.823 6.476 349 HB2 SER 47 1HB SER 47 6.950 15.475 4.430 350 HB3 SER 47 2HB SER 47 6.627 16.303 5.964 351 HG SER 47 HG SER 47 8.804 17.008 4.232 352 H ARG 48 H ARG 48 7.763 12.668 5.698 353 HA ARG 48 HA ARG 48 7.083 12.176 8.510 354 HB2 ARG 48 1HB ARG 48 4.782 11.422 7.896 355 HB3 ARG 48 2HB ARG 48 5.009 13.164 7.687 356 HG2 ARG 48 1HG ARG 48 5.314 12.864 5.257 357 HG3 ARG 48 2HG ARG 48 5.244 11.098 5.463 358 HD2 ARG 48 1HD ARG 48 3.229 12.243 4.522 359 HD3 ARG 48 2HD ARG 48 2.986 11.054 5.754 360 HE ARG 48 HE ARG 48 2.239 12.727 7.215 361 HH11 ARG 48 2HH2 ARG 48 3.411 14.343 4.144 362 HH12 ARG 48 1HH2 ARG 48 2.638 15.799 4.565 363 HH21 ARG 48 2HH1 ARG 48 1.556 14.880 7.792 364 HH22 ARG 48 1HH1 ARG 48 1.575 16.119 6.597 365 H GLU 49 H GLU 49 6.193 9.871 8.617 366 HA GLU 49 HA GLU 49 7.538 8.008 6.810 367 HB2 GLU 49 1HB GLU 49 8.493 8.469 9.644 368 HB3 GLU 49 2HB GLU 49 8.660 6.897 8.823 369 HG2 GLU 49 1HG GLU 49 9.964 7.812 7.073 370 HG3 GLU 49 2HG GLU 49 9.701 9.473 7.588 371 H LEU 50 H LEU 50 5.674 7.045 6.381 372 HA LEU 50 HA LEU 50 3.653 6.271 8.418 373 HB2 LEU 50 1HB LEU 50 3.940 5.347 5.538 374 HB3 LEU 50 2HB LEU 50 2.539 5.119 6.571 375 HG LEU 50 HG LEU 50 1.784 6.742 5.189 376 HD11 LEU 50 1HD1 LEU 50 1.590 7.595 7.499 377 HD12 LEU 50 2HD1 LEU 50 3.110 8.488 7.286 378 HD13 LEU 50 3HD1 LEU 50 1.697 8.902 6.298 379 HD21 LEU 50 3HD2 LEU 50 3.880 7.013 3.935 380 HD22 LEU 50 1HD2 LEU 50 2.877 8.447 4.110 381 HD23 LEU 50 2HD2 LEU 50 4.345 8.265 5.120 382 H SER 51 H SER 51 3.071 3.794 8.585 383 HA SER 51 HA SER 51 5.332 1.944 7.920 384 HB2 SER 51 1HB SER 51 4.080 2.530 10.566 385 HB3 SER 51 2HB SER 51 4.403 0.835 10.161 386 HG SER 51 HG SER 51 6.489 2.691 9.759 387 H VAL 52 H VAL 52 4.712 -0.091 6.993 388 HA VAL 52 HA VAL 52 1.782 -0.456 6.804 389 HB VAL 52 HB VAL 52 4.212 -1.719 5.582 390 HG11 VAL 52 1HG1 VAL 52 1.263 -2.406 5.083 391 HG12 VAL 52 2HG1 VAL 52 2.593 -2.945 4.045 392 HG13 VAL 52 3HG1 VAL 52 2.516 -3.515 5.701 393 HG21 VAL 52 3HG2 VAL 52 3.166 -0.787 3.442 394 HG22 VAL 52 1HG2 VAL 52 2.012 0.067 4.488 395 HG23 VAL 52 2HG2 VAL 52 3.747 0.391 4.602 396 H THR 53 H THR 53 0.798 -2.432 7.485 397 HA THR 53 HA THR 53 2.329 -4.186 9.311 398 HB THR 53 HB THR 53 0.276 -4.083 10.756 399 HG1 THR 53 1HG THR 53 -0.066 -1.644 9.298 400 HG21 THR 53 3HG2 THR 53 2.021 -1.566 10.652 401 HG22 THR 53 1HG2 THR 53 1.256 -2.291 12.079 402 HG23 THR 53 2HG2 THR 53 2.569 -3.112 11.291 403 H PHE 54 H PHE 54 2.066 -6.277 8.950 404 HA PHE 54 HA PHE 54 0.319 -7.037 6.699 405 HB2 PHE 54 1HB PHE 54 2.404 -8.623 8.231 406 HB3 PHE 54 2HB PHE 54 1.607 -9.124 6.749 407 HD1 PHE 54 2HD PHE 54 1.910 -6.108 5.613 408 HD2 PHE 54 1HD PHE 54 4.552 -9.084 7.213 409 HE1 PHE 54 2HE PHE 54 3.817 -5.091 4.363 410 HE2 PHE 54 1HE PHE 54 6.421 -8.187 5.913 411 HZ PHE 54 HZ PHE 54 6.057 -6.089 4.515 412 H PHE 55 H PHE 55 -1.669 -7.675 7.160 413 HA PHE 55 HA PHE 55 -2.561 -7.998 9.651 414 HB2 PHE 55 1HB PHE 55 -3.729 -8.194 7.152 415 HB3 PHE 55 2HB PHE 55 -4.133 -9.720 7.905 416 HD1 PHE 55 2HD PHE 55 -3.985 -6.050 8.764 417 HD2 PHE 55 1HD PHE 55 -6.029 -9.781 9.348 418 HE1 PHE 55 2HE PHE 55 -5.801 -4.873 9.984 419 HE2 PHE 55 1HE PHE 55 -7.785 -8.615 10.624 420 HZ PHE 55 HZ PHE 55 -7.700 -6.157 10.929 421 HA PRO 56 HA PRO 56 -3.904 -8.836 11.093 422 HB2 PRO 56 1HB PRO 56 -4.161 -10.036 13.509 423 HB3 PRO 56 2HB PRO 56 -5.114 -10.551 12.072 424 HG2 PRO 56 1HG PRO 56 -2.585 -11.769 13.176 425 HG3 PRO 56 2HG PRO 56 -4.073 -12.604 12.679 426 HD2 PRO 56 1HD PRO 56 -1.865 -12.349 11.024 427 HD3 PRO 56 2HD PRO 56 -3.533 -12.414 10.392 428 H ASP 57 H ASP 57 -2.461 -7.198 11.132 429 HA ASP 57 HA ASP 57 -1.124 -6.522 13.541 430 HB2 ASP 57 1HB ASP 57 0.807 -7.516 12.153 431 HB3 ASP 57 2HB ASP 57 0.351 -6.434 10.869 432 H LEU 58 H LEU 58 -2.006 -4.405 13.705 433 HA LEU 58 HA LEU 58 -2.387 -2.799 11.303 434 HB2 LEU 58 1HB LEU 58 -4.700 -2.252 12.097 435 HB3 LEU 58 2HB LEU 58 -4.470 -3.791 11.323 436 HG LEU 58 HG LEU 58 -4.494 -3.579 14.362 437 HD11 LEU 58 1HD1 LEU 58 -6.524 -2.556 13.441 438 HD12 LEU 58 2HD1 LEU 58 -6.848 -4.039 12.499 439 HD13 LEU 58 3HD1 LEU 58 -6.863 -4.065 14.285 440 HD21 LEU 58 3HD2 LEU 58 -3.818 -5.804 13.817 441 HD22 LEU 58 1HD2 LEU 58 -5.547 -5.963 13.987 442 HD23 LEU 58 2HD2 LEU 58 -4.838 -5.860 12.361 443 H ASN 59 H ASN 59 -0.376 -2.684 13.297 444 HA ASN 59 HA ASN 59 -1.019 -0.405 15.043 445 HB2 ASN 59 1HB ASN 59 1.657 -1.710 14.271 446 HB3 ASN 59 2HB ASN 59 1.461 -0.429 15.443 447 HD21 ASN 59 1HD2 ASN 59 0.611 -3.781 14.757 448 HD22 ASN 59 2HD2 ASN 59 0.413 -4.262 16.435 449 H GLY 60 H GLY 60 -0.177 -0.898 11.799 450 HA2 GLY 60 1HA GLY 60 1.513 1.452 11.461 451 HA3 GLY 60 2HA GLY 60 0.877 0.409 10.178 452 H ASP 61 H ASP 61 1.029 3.141 9.904 453 HA ASP 61 HA ASP 61 -1.645 4.312 10.152 454 HB2 ASP 61 1HB ASP 61 0.707 5.459 9.839 455 HB3 ASP 61 2HB ASP 61 0.403 5.223 8.127 456 H VAL 62 H VAL 62 0.083 2.085 8.139 457 HA VAL 62 HA VAL 62 -2.159 1.873 6.243 458 HB VAL 62 HB VAL 62 0.817 1.646 5.618 459 HG11 VAL 62 1HG1 VAL 62 -0.430 0.101 4.202 460 HG12 VAL 62 2HG1 VAL 62 -1.590 1.362 3.758 461 HG13 VAL 62 3HG1 VAL 62 0.104 1.468 3.239 462 HG21 VAL 62 3HG2 VAL 62 0.308 3.618 4.078 463 HG22 VAL 62 1HG2 VAL 62 -1.182 3.846 5.005 464 HG23 VAL 62 2HG2 VAL 62 0.384 3.970 5.815 465 H VAL 63 H VAL 63 -2.531 -0.303 5.593 466 HA VAL 63 HA VAL 63 -1.348 -2.389 7.345 467 HB VAL 63 HB VAL 63 -4.265 -1.967 6.561 468 HG11 VAL 63 1HG1 VAL 63 -3.823 -4.346 6.841 469 HG12 VAL 63 2HG1 VAL 63 -2.950 -4.031 8.367 470 HG13 VAL 63 3HG1 VAL 63 -4.700 -3.751 8.242 471 HG21 VAL 63 3HG2 VAL 63 -2.893 -1.594 9.279 472 HG22 VAL 63 1HG2 VAL 63 -3.625 -0.311 8.300 473 HG23 VAL 63 2HG2 VAL 63 -4.644 -1.557 9.003 474 H ALA 64 H ALA 64 -1.737 -4.624 6.191 475 HA ALA 64 HA ALA 64 -1.821 -4.357 3.234 476 HB1 ALA 64 1HB ALA 64 0.115 -6.183 4.658 477 HB2 ALA 64 2HB ALA 64 0.100 -5.739 2.951 478 HB3 ALA 64 3HB ALA 64 0.608 -4.550 4.150 479 H ILE 65 H ILE 65 -2.495 -6.293 2.178 480 HA ILE 65 HA ILE 65 -3.868 -8.297 3.839 481 HB ILE 65 HB ILE 65 -4.971 -6.668 1.538 482 HG12 ILE 65 1HG1 ILE 65 -5.056 -5.565 3.798 483 HG13 ILE 65 2HG1 ILE 65 -6.590 -5.805 3.037 484 HG21 ILE 65 1HG2 ILE 65 -5.757 -8.915 1.191 485 HG22 ILE 65 2HG2 ILE 65 -6.229 -9.092 2.881 486 HG23 ILE 65 3HG2 ILE 65 -7.091 -7.948 1.823 487 HD11 ILE 65 3HD1 ILE 65 -5.453 -7.559 5.266 488 HD12 ILE 65 1HD1 ILE 65 -6.654 -6.280 5.456 489 HD13 ILE 65 2HD1 ILE 65 -7.073 -7.723 4.543 490 H ASP 66 H ASP 66 -3.933 -10.417 2.712 491 HA ASP 66 HA ASP 66 -1.692 -10.700 0.898 492 HB2 ASP 66 1HB ASP 66 -2.487 -12.356 2.685 493 HB3 ASP 66 2HB ASP 66 -3.675 -12.891 1.489 494 H TYR 67 H TYR 67 -1.769 -11.382 -1.175 495 HA TYR 67 HA TYR 67 -3.511 -10.317 -3.103 496 HB2 TYR 67 1HB TYR 67 -1.273 -10.974 -3.683 497 HB3 TYR 67 2HB TYR 67 -1.483 -12.587 -3.041 498 HD1 TYR 67 2HD TYR 67 -2.887 -14.238 -4.286 499 HD2 TYR 67 1HD TYR 67 -1.754 -10.382 -5.869 500 HE1 TYR 67 2HE TYR 67 -3.269 -15.096 -6.572 501 HE2 TYR 67 1HE TYR 67 -2.249 -11.237 -8.214 502 HH TYR 67 HH TYR 67 -2.505 -13.344 -9.552 503 H ARG 68 H ARG 68 -3.938 -13.229 -1.235 504 HA ARG 68 HA ARG 68 -5.787 -14.653 -2.879 505 HB2 ARG 68 1HB ARG 68 -5.710 -14.473 0.150 506 HB3 ARG 68 2HB ARG 68 -6.295 -15.838 -0.819 507 HG2 ARG 68 1HG ARG 68 -3.790 -15.574 -1.778 508 HG3 ARG 68 2HG ARG 68 -3.527 -14.909 -0.177 509 HD2 ARG 68 1HD ARG 68 -4.250 -16.946 0.912 510 HD3 ARG 68 2HD ARG 68 -4.609 -17.702 -0.658 511 HE ARG 68 HE ARG 68 -2.200 -17.270 -1.227 512 HH11 ARG 68 2HH2 ARG 68 -3.211 -18.300 2.014 513 HH12 ARG 68 1HH2 ARG 68 -1.620 -18.622 2.585 514 HH21 ARG 68 2HH1 ARG 68 -0.059 -17.717 -0.500 515 HH22 ARG 68 1HH1 ARG 68 0.196 -18.280 1.126 516 H HIS 69 H HIS 69 -6.041 -11.754 -1.449 517 HA HIS 69 HA HIS 69 -9.013 -11.605 -1.862 518 HB2 HIS 69 1HB HIS 69 -7.279 -10.548 0.326 519 HB3 HIS 69 2HB HIS 69 -8.480 -9.416 -0.271 520 HD1 HIS 69 1HD HIS 69 -9.927 -12.839 -0.532 521 HD2 HIS 69 2HD HIS 69 -9.427 -9.787 2.345 522 HE1 HIS 69 1HE HIS 69 -11.701 -13.208 1.178 523 H TYR 70 H TYR 70 -6.479 -10.912 -3.688 524 HA TYR 70 HA TYR 70 -7.158 -8.185 -4.463 525 HB2 TYR 70 1HB TYR 70 -4.878 -9.037 -4.660 526 HB3 TYR 70 2HB TYR 70 -5.416 -10.275 -5.785 527 HD1 TYR 70 2HD TYR 70 -7.226 -7.309 -6.732 528 HD2 TYR 70 1HD TYR 70 -3.309 -9.115 -6.796 529 HE1 TYR 70 2HE TYR 70 -6.611 -5.899 -8.635 530 HE2 TYR 70 1HE TYR 70 -2.679 -7.734 -8.731 531 HH TYR 70 HH TYR 70 -3.297 -5.934 -10.013 532 H SER 71 H SER 71 -9.503 -9.013 -4.455 533 HA SER 71 HA SER 71 -10.511 -10.215 -6.824 534 HB2 SER 71 1HB SER 71 -11.851 -8.158 -5.016 535 HB3 SER 71 2HB SER 71 -12.664 -9.382 -5.994 536 HG SER 71 HG SER 71 -12.399 -9.823 -3.674 537 H ALA 72 H ALA 72 -11.504 -9.224 -8.590 538 HA ALA 72 HA ALA 72 -10.250 -6.883 -9.677 539 HB1 ALA 72 1HB ALA 72 -12.773 -8.323 -10.574 540 HB2 ALA 72 2HB ALA 72 -11.772 -7.231 -11.553 541 HB3 ALA 72 3HB ALA 72 -11.112 -8.786 -11.022 542 H SER 73 H SER 73 -12.851 -7.119 -7.389 543 HA SER 73 HA SER 73 -14.299 -4.771 -7.767 544 HB2 SER 73 1HB SER 73 -13.291 -5.389 -5.028 545 HB3 SER 73 2HB SER 73 -14.935 -5.155 -5.590 546 HG SER 73 HG SER 73 -14.621 -7.215 -4.917 547 H PHE 74 H PHE 74 -11.020 -5.386 -6.494 548 HA PHE 74 HA PHE 74 -10.749 -2.634 -5.546 549 HB2 PHE 74 1HB PHE 74 -8.843 -4.955 -5.209 550 HB3 PHE 74 2HB PHE 74 -8.969 -3.511 -4.258 551 HD1 PHE 74 2HD PHE 74 -11.614 -3.150 -3.253 552 HD2 PHE 74 1HD PHE 74 -9.626 -6.888 -4.111 553 HE1 PHE 74 2HE PHE 74 -12.998 -4.334 -1.506 554 HE2 PHE 74 1HE PHE 74 -11.127 -8.027 -2.485 555 HZ PHE 74 HZ PHE 74 -12.821 -6.740 -1.235 556 H LYS 75 H LYS 75 -10.491 -3.374 -8.580 557 HA LYS 75 HA LYS 75 -7.802 -3.496 -9.337 558 HB2 LYS 75 1HB LYS 75 -8.805 -3.942 -11.184 559 HB3 LYS 75 2HB LYS 75 -10.345 -3.333 -10.610 560 HG2 LYS 75 1HG LYS 75 -10.052 -1.215 -11.513 561 HG3 LYS 75 2HG LYS 75 -8.311 -1.388 -11.711 562 HD2 LYS 75 1HD LYS 75 -10.227 -3.118 -13.280 563 HD3 LYS 75 2HD LYS 75 -9.609 -1.532 -13.791 564 HE2 LYS 75 1HE LYS 75 -7.264 -2.357 -13.478 565 HE3 LYS 75 2HE LYS 75 -7.908 -3.983 -13.193 566 HZ1 LYS 75 3HZ LYS 75 -8.431 -2.434 -15.648 567 HZ2 LYS 75 1HZ LYS 75 -7.173 -3.467 -15.505 568 HZ3 LYS 75 2HZ LYS 75 -8.728 -4.035 -15.398 569 H LYS 76 H LYS 76 -9.686 -0.615 -8.495 570 HA LYS 76 HA LYS 76 -7.427 1.161 -9.267 571 HB2 LYS 76 1HB LYS 76 -10.343 1.672 -8.691 572 HB3 LYS 76 2HB LYS 76 -9.122 2.956 -8.896 573 HG2 LYS 76 1HG LYS 76 -8.620 1.730 -11.178 574 HG3 LYS 76 2HG LYS 76 -10.158 0.924 -10.895 575 HD2 LYS 76 1HD LYS 76 -11.285 3.085 -10.697 576 HD3 LYS 76 2HD LYS 76 -9.785 3.961 -11.014 577 HE2 LYS 76 1HE LYS 76 -9.638 3.126 -13.264 578 HE3 LYS 76 2HE LYS 76 -10.849 1.876 -12.946 579 HZ1 LYS 76 3HZ LYS 76 -11.788 3.636 -14.237 580 HZ2 LYS 76 1HZ LYS 76 -12.520 3.551 -12.763 581 HZ3 LYS 76 2HZ LYS 76 -11.484 4.772 -13.096 582 H GLY 77 H GLY 77 -8.249 -0.665 -6.664 583 HA2 GLY 77 1HA GLY 77 -6.677 -0.527 -4.855 584 HA3 GLY 77 2HA GLY 77 -7.082 1.178 -4.673 585 H ALA 78 H ALA 78 -7.344 0.136 -2.406 586 HA ALA 78 HA ALA 78 -10.138 -0.123 -1.817 587 HB1 ALA 78 1HB ALA 78 -9.961 -2.385 -0.763 588 HB2 ALA 78 2HB ALA 78 -9.642 -2.443 -2.493 589 HB3 ALA 78 3HB ALA 78 -8.289 -2.518 -1.350 590 H LYS 79 H LYS 79 -10.319 -0.746 0.606 591 HA LYS 79 HA LYS 79 -8.141 0.131 2.352 592 HB2 LYS 79 1HB LYS 79 -10.146 1.475 3.534 593 HB3 LYS 79 2HB LYS 79 -9.049 2.241 2.402 594 HG2 LYS 79 1HG LYS 79 -10.628 2.296 0.643 595 HG3 LYS 79 2HG LYS 79 -11.562 1.004 1.329 596 HD2 LYS 79 1HD LYS 79 -12.198 2.601 3.239 597 HD3 LYS 79 2HD LYS 79 -11.517 3.869 2.189 598 HE2 LYS 79 1HE LYS 79 -13.164 2.277 0.501 599 HE3 LYS 79 2HE LYS 79 -14.066 2.394 2.007 600 HZ1 LYS 79 3HZ LYS 79 -13.985 4.748 1.884 601 HZ2 LYS 79 1HZ LYS 79 -13.009 4.744 0.528 602 HZ3 LYS 79 2HZ LYS 79 -14.547 4.220 0.456 603 H LEU 80 H LEU 80 -8.711 -0.434 4.549 604 HA LEU 80 HA LEU 80 -10.462 -2.791 4.913 605 HB2 LEU 80 1HB LEU 80 -7.806 -2.506 5.520 606 HB3 LEU 80 2HB LEU 80 -8.465 -1.813 6.998 607 HG LEU 80 HG LEU 80 -9.044 -4.607 5.858 608 HD11 LEU 80 1HD1 LEU 80 -7.212 -3.723 8.139 609 HD12 LEU 80 2HD1 LEU 80 -7.467 -5.392 7.580 610 HD13 LEU 80 3HD1 LEU 80 -6.664 -4.223 6.526 611 HD21 LEU 80 3HD2 LEU 80 -9.727 -3.503 8.613 612 HD22 LEU 80 1HD2 LEU 80 -10.840 -4.117 7.334 613 HD23 LEU 80 2HD2 LEU 80 -9.772 -5.220 8.145 614 H LEU 81 H LEU 81 -10.952 -2.391 7.537 615 HA LEU 81 HA LEU 81 -13.217 -1.172 7.814 616 HB2 LEU 81 1HB LEU 81 -11.725 -2.443 9.490 617 HB3 LEU 81 2HB LEU 81 -11.223 -0.915 10.102 618 HG LEU 81 HG LEU 81 -14.209 -1.332 9.809 619 HD11 LEU 81 1HD1 LEU 81 -14.355 -2.509 11.959 620 HD12 LEU 81 2HD1 LEU 81 -13.473 -3.472 10.767 621 HD13 LEU 81 3HD1 LEU 81 -12.578 -2.616 12.036 622 HD21 LEU 81 3HD2 LEU 81 -12.465 -0.101 11.975 623 HD22 LEU 81 1HD2 LEU 81 -13.322 0.807 10.694 624 HD23 LEU 81 2HD2 LEU 81 -14.243 -0.070 11.927 625 H HIS 82 H HIS 82 -10.349 0.537 8.762 626 HA HIS 82 HA HIS 82 -11.521 3.016 7.564 627 HB2 HIS 82 1HB HIS 82 -10.963 4.459 9.408 628 HB3 HIS 82 2HB HIS 82 -12.044 3.185 9.951 629 HD1 HIS 82 1HD HIS 82 -8.928 4.833 10.994 630 HD2 HIS 82 2HD HIS 82 -10.621 0.973 11.174 631 HE1 HIS 82 1HE HIS 82 -7.731 3.615 12.861 632 H LYS 83 H LYS 83 -8.816 0.991 7.713 633 HA LYS 83 HA LYS 83 -6.934 3.214 7.135 634 HB2 LYS 83 1HB LYS 83 -6.512 0.437 8.318 635 HB3 LYS 83 2HB LYS 83 -5.208 1.495 7.783 636 HG2 LYS 83 1HG LYS 83 -6.549 3.304 9.267 637 HG3 LYS 83 2HG LYS 83 -7.136 1.867 10.077 638 HD2 LYS 83 1HD LYS 83 -4.170 2.422 9.626 639 HD3 LYS 83 2HD LYS 83 -5.071 3.071 10.985 640 HE2 LYS 83 1HE LYS 83 -5.809 0.521 11.304 641 HE3 LYS 83 2HE LYS 83 -4.306 0.224 10.415 642 HZ1 LYS 83 3HZ LYS 83 -4.469 1.886 12.869 643 HZ2 LYS 83 1HZ LYS 83 -3.880 0.360 12.820 644 HZ3 LYS 83 2HZ LYS 83 -3.107 1.553 12.031 645 HA PRO 84 HA PRO 84 -6.537 1.688 3.072 646 HB2 PRO 84 1HB PRO 84 -4.094 2.555 2.305 647 HB3 PRO 84 2HB PRO 84 -5.421 3.700 2.713 648 HG2 PRO 84 1HG PRO 84 -3.098 2.828 4.422 649 HG3 PRO 84 2HG PRO 84 -3.739 4.480 4.204 650 HD2 PRO 84 1HD PRO 84 -4.360 2.795 6.313 651 HD3 PRO 84 2HD PRO 84 -5.447 4.080 5.748 652 H ILE 85 H ILE 85 -5.316 0.140 1.686 653 HA ILE 85 HA ILE 85 -3.741 -1.791 3.282 654 HB ILE 85 HB ILE 85 -4.999 -3.655 2.494 655 HG12 ILE 85 1HG1 ILE 85 -7.269 -2.775 1.170 656 HG13 ILE 85 2HG1 ILE 85 -6.104 -1.662 0.500 657 HG21 ILE 85 1HG2 ILE 85 -6.921 -1.563 3.413 658 HG22 ILE 85 2HG2 ILE 85 -7.077 -3.330 3.516 659 HG23 ILE 85 3HG2 ILE 85 -5.800 -2.498 4.423 660 HD11 ILE 85 3HD1 ILE 85 -4.698 -3.619 -0.230 661 HD12 ILE 85 1HD1 ILE 85 -5.939 -4.708 0.433 662 HD13 ILE 85 2HD1 ILE 85 -6.325 -3.637 -0.924 663 H VAL 86 H VAL 86 -2.459 -3.249 1.942 664 HA VAL 86 HA VAL 86 -1.998 -2.445 -0.847 665 HB VAL 86 HB VAL 86 0.420 -2.879 -0.587 666 HG11 VAL 86 1HG1 VAL 86 -0.443 -0.582 -0.723 667 HG12 VAL 86 2HG1 VAL 86 -0.588 -0.504 1.058 668 HG13 VAL 86 3HG1 VAL 86 1.005 -0.645 0.281 669 HG21 VAL 86 3HG2 VAL 86 1.540 -2.610 1.583 670 HG22 VAL 86 1HG2 VAL 86 -0.021 -2.646 2.411 671 HG23 VAL 86 2HG2 VAL 86 0.553 -4.073 1.508 672 H TRP 87 H TRP 87 -1.044 -4.303 -2.061 673 HA TRP 87 HA TRP 87 -1.948 -6.874 -0.907 674 HB2 TRP 87 1HB TRP 87 -0.888 -6.474 -3.743 675 HB3 TRP 87 2HB TRP 87 -1.771 -7.802 -3.090 676 HD1 TRP 87 HD TRP 87 -2.415 -4.718 -4.900 677 HE1 TRP 87 1HE TRP 87 -4.958 -4.243 -5.050 678 HE3 TRP 87 3HE TRP 87 -4.054 -8.081 -1.408 679 HZ2 TRP 87 2HZ TRP 87 -7.310 -5.108 -3.701 680 HZ3 TRP 87 3HZ TRP 87 -6.434 -8.227 -0.862 681 HH2 TRP 87 HH TRP 87 -8.089 -6.727 -1.969 682 H HIS 88 H HIS 88 -0.471 -8.023 0.254 683 HA HIS 88 HA HIS 88 2.409 -7.719 -0.434 684 HB2 HIS 88 1HB HIS 88 3.122 -8.271 1.648 685 HB3 HIS 88 2HB HIS 88 2.029 -6.914 1.910 686 HD1 HIS 88 1HD HIS 88 2.938 -10.257 3.240 687 HD2 HIS 88 2HD HIS 88 -0.492 -7.851 3.066 688 HE1 HIS 88 1HE HIS 88 1.369 -11.206 4.909 689 H ILE 89 H ILE 89 3.285 -9.569 -1.210 690 HA ILE 89 HA ILE 89 1.779 -12.152 -0.820 691 HB ILE 89 HB ILE 89 3.698 -11.233 -3.014 692 HG12 ILE 89 1HG1 ILE 89 0.976 -12.562 -3.350 693 HG13 ILE 89 2HG1 ILE 89 1.141 -10.824 -3.166 694 HG21 ILE 89 1HG2 ILE 89 2.657 -14.062 -2.525 695 HG22 ILE 89 2HG2 ILE 89 3.650 -13.531 -3.892 696 HG23 ILE 89 3HG2 ILE 89 4.330 -13.548 -2.270 697 HD11 ILE 89 3HD1 ILE 89 1.017 -11.481 -5.539 698 HD12 ILE 89 1HD1 ILE 89 2.555 -10.669 -5.148 699 HD13 ILE 89 2HD1 ILE 89 2.498 -12.418 -5.353 700 H ASN 90 H ASN 90 2.797 -13.071 0.996 701 HA ASN 90 HA ASN 90 4.356 -13.707 2.406 702 HB2 ASN 90 1HB ASN 90 5.902 -15.095 1.630 703 HB3 ASN 90 2HB ASN 90 4.865 -15.027 0.208 704 HD21 ASN 90 1HD2 ASN 90 6.096 -12.632 -0.991 705 HD22 ASN 90 2HD2 ASN 90 7.657 -13.328 -1.428 706 H GLN 91 H GLN 91 4.262 -10.884 2.311 707 HA GLN 91 HA GLN 91 5.260 -9.123 3.254 708 HB2 GLN 91 1HB GLN 91 7.796 -10.683 3.626 709 HB3 GLN 91 2HB GLN 91 7.336 -9.281 4.471 710 HG2 GLN 91 1HG GLN 91 5.898 -10.377 5.936 711 HG3 GLN 91 2HG GLN 91 5.383 -11.570 4.782 712 HE21 GLN 91 1HE2 GLN 91 7.836 -12.670 3.914 713 HE22 GLN 91 2HE2 GLN 91 8.899 -12.898 5.296 714 H ALA 92 H ALA 92 5.768 -10.136 0.324 715 HA ALA 92 HA ALA 92 7.954 -8.268 -0.398 716 HB1 ALA 92 1HB ALA 92 8.604 -9.870 -2.086 717 HB2 ALA 92 2HB ALA 92 8.457 -10.778 -0.557 718 HB3 ALA 92 3HB ALA 92 7.179 -10.876 -1.768 719 H THR 93 H THR 93 7.747 -7.668 -2.775 720 HA THR 93 HA THR 93 4.960 -7.452 -3.696 721 HB THR 93 HB THR 93 5.604 -5.241 -2.818 722 HG1 THR 93 1HG THR 93 4.929 -4.168 -4.455 723 HG21 THR 93 3HG2 THR 93 8.035 -5.180 -3.118 724 HG22 THR 93 1HG2 THR 93 7.848 -5.297 -4.893 725 HG23 THR 93 2HG2 THR 93 7.258 -3.868 -4.023 726 H THR 94 H THR 94 4.810 -7.599 -6.014 727 HA THR 94 HA THR 94 7.180 -8.563 -7.472 728 HB THR 94 HB THR 94 5.980 -10.522 -8.238 729 HG1 THR 94 1HG THR 94 3.958 -11.073 -7.308 730 HG21 THR 94 3HG2 THR 94 7.236 -10.775 -6.094 731 HG22 THR 94 1HG2 THR 94 5.725 -10.498 -5.199 732 HG23 THR 94 2HG2 THR 94 5.874 -11.908 -6.247 733 H LYS 95 H LYS 95 6.429 -8.708 -9.893 734 HA LYS 95 HA LYS 95 5.502 -6.293 -10.792 735 HB2 LYS 95 1HB LYS 95 6.352 -8.714 -11.912 736 HB3 LYS 95 2HB LYS 95 4.719 -8.593 -12.533 737 HG2 LYS 95 1HG LYS 95 6.835 -6.401 -12.733 738 HG3 LYS 95 2HG LYS 95 6.541 -7.629 -13.966 739 HD2 LYS 95 1HD LYS 95 4.229 -6.793 -14.304 740 HD3 LYS 95 2HD LYS 95 4.464 -5.608 -13.015 741 HE2 LYS 95 1HE LYS 95 4.809 -4.449 -15.084 742 HE3 LYS 95 2HE LYS 95 6.380 -4.628 -14.284 743 HZ1 LYS 95 3HZ LYS 95 6.685 -6.634 -15.765 744 HZ2 LYS 95 1HZ LYS 95 5.371 -6.154 -16.601 745 HZ3 LYS 95 2HZ LYS 95 6.705 -5.175 -16.499 746 H THR 96 H THR 96 3.529 -9.175 -10.101 747 HA THR 96 HA THR 96 1.050 -8.186 -11.027 748 HB THR 96 HB THR 96 1.605 -10.230 -8.834 749 HG1 THR 96 1HG THR 96 1.867 -11.664 -10.460 750 HG21 THR 96 3HG2 THR 96 -0.445 -11.320 -9.724 751 HG22 THR 96 1HG2 THR 96 -0.795 -9.705 -9.075 752 HG23 THR 96 2HG2 THR 96 -0.696 -9.955 -10.831 753 H THR 97 H THR 97 2.618 -7.830 -7.734 754 HA THR 97 HA THR 97 0.164 -6.478 -6.815 755 HB THR 97 HB THR 97 1.379 -6.547 -4.604 756 HG1 THR 97 1HG THR 97 3.030 -8.059 -4.477 757 HG21 THR 97 3HG2 THR 97 0.880 -8.928 -4.244 758 HG22 THR 97 1HG2 THR 97 -0.379 -8.203 -5.257 759 HG23 THR 97 2HG2 THR 97 0.872 -9.223 -5.992 760 H PHE 98 H PHE 98 3.154 -5.678 -8.200 761 HA PHE 98 HA PHE 98 3.704 -3.113 -7.071 762 HB2 PHE 98 1HB PHE 98 5.491 -3.882 -8.296 763 HB3 PHE 98 2HB PHE 98 4.495 -4.693 -9.475 764 HD1 PHE 98 1HD PHE 98 5.510 -1.234 -8.477 765 HD2 PHE 98 2HD PHE 98 4.233 -3.861 -11.619 766 HE1 PHE 98 1HE PHE 98 5.803 0.612 -10.135 767 HE2 PHE 98 2HE PHE 98 4.572 -2.038 -13.290 768 HZ PHE 98 HZ PHE 98 5.358 0.199 -12.527 769 H LYS 99 H LYS 99 2.135 -4.033 -10.124 770 HA LYS 99 HA LYS 99 1.245 -1.588 -11.028 771 HB2 LYS 99 1HB LYS 99 0.353 -4.414 -11.289 772 HB3 LYS 99 2HB LYS 99 -0.870 -3.243 -11.733 773 HG2 LYS 99 1HG LYS 99 1.825 -2.674 -12.912 774 HG3 LYS 99 2HG LYS 99 1.071 -4.176 -13.435 775 HD2 LYS 99 1HD LYS 99 0.437 -2.382 -14.961 776 HD3 LYS 99 2HD LYS 99 -0.970 -2.998 -14.099 777 HE2 LYS 99 1HE LYS 99 -0.294 -0.939 -12.432 778 HE3 LYS 99 2HE LYS 99 0.375 -0.320 -13.945 779 HZ1 LYS 99 3HZ LYS 99 -1.827 0.437 -13.864 780 HZ2 LYS 99 1HZ LYS 99 -1.935 -0.833 -14.883 781 HZ3 LYS 99 2HZ LYS 99 -2.440 -0.986 -13.332 782 HA PRO 100 HA PRO 100 -2.809 -1.589 -8.543 783 HB2 PRO 100 1HB PRO 100 -3.258 -3.304 -6.498 784 HB3 PRO 100 2HB PRO 100 -3.631 -3.713 -8.199 785 HG2 PRO 100 1HG PRO 100 -1.159 -4.442 -6.623 786 HG3 PRO 100 2HG PRO 100 -2.187 -5.525 -7.592 787 HD2 PRO 100 1HD PRO 100 0.086 -4.498 -8.622 788 HD3 PRO 100 2HD PRO 100 -1.389 -4.621 -9.624 789 H ASN 101 H ASN 101 0.259 -2.422 -6.683 790 HA ASN 101 HA ASN 101 -0.390 -0.853 -4.437 791 HB2 ASN 101 1HB ASN 101 2.075 -2.100 -5.585 792 HB3 ASN 101 2HB ASN 101 2.313 -0.675 -4.665 793 HD21 ASN 101 1HD2 ASN 101 1.558 -4.017 -4.393 794 HD22 ASN 101 2HD2 ASN 101 1.469 -4.066 -2.639 795 H THR 102 H THR 102 0.957 0.059 -7.644 796 HA THR 102 HA THR 102 1.786 2.644 -7.006 797 HB THR 102 HB THR 102 1.570 3.284 -9.223 798 HG1 THR 102 1HG THR 102 -0.125 1.034 -9.733 799 HG21 THR 102 3HG2 THR 102 2.459 1.539 -10.618 800 HG22 THR 102 1HG2 THR 102 3.207 1.478 -9.021 801 HG23 THR 102 2HG2 THR 102 1.923 0.313 -9.469 802 H TRP 103 H TRP 103 -1.479 1.515 -7.449 803 HA TRP 103 HA TRP 103 -2.792 4.103 -7.450 804 HB2 TRP 103 1HB TRP 103 -3.866 1.318 -6.798 805 HB3 TRP 103 2HB TRP 103 -4.810 2.765 -6.898 806 HD1 TRP 103 HD TRP 103 -2.932 0.431 -9.250 807 HE1 TRP 103 1HE TRP 103 -4.009 0.642 -11.561 808 HE3 TRP 103 3HE TRP 103 -5.978 4.408 -8.320 809 HZ2 TRP 103 2HZ TRP 103 -6.184 2.200 -12.746 810 HZ3 TRP 103 3HZ TRP 103 -7.525 5.276 -10.065 811 HH2 TRP 103 HH TRP 103 -7.632 4.166 -12.279 812 H CYS 104 H CYS 104 -1.830 1.759 -4.902 813 HA CYS 104 HA CYS 104 -3.168 3.114 -2.753 814 HB2 CYS 104 1HB CYS 104 -2.187 0.764 -2.631 815 HB3 CYS 104 2HB CYS 104 -0.573 1.518 -2.572 816 HG CYS 104 HG CYS 104 -1.478 0.745 -0.134 817 H LEU 105 H LEU 105 -0.022 3.599 -4.432 818 HA LEU 105 HA LEU 105 0.970 5.515 -2.522 819 HB2 LEU 105 1HB LEU 105 1.622 5.320 -5.496 820 HB3 LEU 105 2HB LEU 105 2.536 6.195 -4.283 821 HG LEU 105 HG LEU 105 2.148 3.166 -4.292 822 HD11 LEU 105 1HD1 LEU 105 4.499 3.085 -4.944 823 HD12 LEU 105 2HD1 LEU 105 3.457 3.806 -6.191 824 HD13 LEU 105 3HD1 LEU 105 4.493 4.835 -5.217 825 HD21 LEU 105 3HD2 LEU 105 4.111 3.327 -2.647 826 HD22 LEU 105 1HD2 LEU 105 3.654 5.020 -2.435 827 HD23 LEU 105 2HD2 LEU 105 2.500 3.732 -2.047 828 H ARG 106 H ARG 106 -0.973 5.759 -5.516 829 HA ARG 106 HA ARG 106 -1.225 8.620 -5.418 830 HB2 ARG 106 1HB ARG 106 -3.028 6.506 -6.683 831 HB3 ARG 106 2HB ARG 106 -3.230 8.256 -6.889 832 HG2 ARG 106 1HG ARG 106 -0.977 8.456 -7.726 833 HG3 ARG 106 2HG ARG 106 -0.706 6.702 -7.614 834 HD2 ARG 106 1HD ARG 106 -1.877 6.296 -9.496 835 HD3 ARG 106 2HD ARG 106 -3.152 7.469 -9.127 836 HE ARG 106 HE ARG 106 -0.593 7.870 -10.538 837 HH11 ARG 106 2HH2 ARG 106 -3.544 9.495 -9.264 838 HH12 ARG 106 1HH2 ARG 106 -3.355 10.845 -10.320 839 HH21 ARG 106 2HH1 ARG 106 -0.388 9.894 -11.817 840 HH22 ARG 106 1HH1 ARG 106 -1.709 11.023 -11.730 841 H CYS 107 H CYS 107 -2.617 6.316 -3.300 842 HA CYS 107 HA CYS 107 -4.830 8.099 -2.504 843 HB2 CYS 107 1HB CYS 107 -4.692 5.409 -2.514 844 HB3 CYS 107 2HB CYS 107 -3.909 5.674 -0.963 845 HG CYS 107 HG CYS 107 -6.381 5.140 -0.413 846 H LEU 108 H LEU 108 -1.526 7.175 -1.581 847 HA LEU 108 HA LEU 108 -1.591 8.472 1.050 848 HB2 LEU 108 1HB LEU 108 0.702 7.390 -0.621 849 HB3 LEU 108 2HB LEU 108 0.839 7.937 1.039 850 HG LEU 108 HG LEU 108 -0.932 5.607 0.221 851 HD11 LEU 108 1HD1 LEU 108 1.339 5.045 -0.401 852 HD12 LEU 108 2HD1 LEU 108 1.955 5.598 1.162 853 HD13 LEU 108 3HD1 LEU 108 0.903 4.160 1.067 854 HD21 LEU 108 3HD2 LEU 108 -1.450 6.664 2.427 855 HD22 LEU 108 1HD2 LEU 108 -0.812 5.021 2.598 856 HD23 LEU 108 2HD2 LEU 108 0.236 6.418 2.914 857 H TRP 109 H TRP 109 -1.063 9.512 -2.249 858 HA TRP 109 HA TRP 109 0.738 11.656 -1.923 859 HB2 TRP 109 1HB TRP 109 -1.547 11.001 -3.829 860 HB3 TRP 109 2HB TRP 109 -0.602 12.405 -3.986 861 HD1 TRP 109 HD TRP 109 1.698 9.618 -3.143 862 HE1 TRP 109 1HE TRP 109 2.917 8.808 -5.267 863 HE3 TRP 109 3HE TRP 109 -1.327 11.701 -6.663 864 HZ2 TRP 109 2HZ TRP 109 2.508 8.883 -8.082 865 HZ3 TRP 109 3HZ TRP 109 -0.834 11.426 -9.072 866 HH2 TRP 109 HH TRP 109 1.028 9.913 -9.788 867 H SER 110 H SER 110 0.084 13.994 -2.116 868 HA SER 110 HA SER 110 -2.217 14.698 -0.359 869 HB2 SER 110 1HB SER 110 0.572 15.911 -0.588 870 HB3 SER 110 2HB SER 110 -0.748 16.547 0.408 871 HG SER 110 HG SER 110 1.033 15.054 1.235 872 H THR 111 H THR 111 -3.418 16.579 -1.174 873 HA THR 111 HA THR 111 -3.183 17.136 -3.982 874 HB THR 111 HB THR 111 -4.997 18.827 -3.347 875 HG1 THR 111 1HG THR 111 -5.446 19.061 -1.326 876 HG21 THR 111 3HG2 THR 111 -5.341 15.876 -2.601 877 HG22 THR 111 1HG2 THR 111 -6.651 17.014 -2.960 878 HG23 THR 111 2HG2 THR 111 -5.476 16.569 -4.211 879 H LYS 112 H LYS 112 -1.103 17.987 -4.515 880 HA LYS 112 HA LYS 112 -0.683 20.737 -3.578 881 HB2 LYS 112 1HB LYS 112 0.724 19.407 -2.240 882 HB3 LYS 112 2HB LYS 112 1.411 18.591 -3.663 883 HG2 LYS 112 1HG LYS 112 3.002 20.233 -2.950 884 HG3 LYS 112 2HG LYS 112 2.270 20.846 -4.422 885 HD2 LYS 112 1HD LYS 112 0.630 21.987 -2.501 886 HD3 LYS 112 2HD LYS 112 2.151 21.892 -1.631 887 HE2 LYS 112 1HE LYS 112 3.283 23.166 -3.424 888 HE3 LYS 112 2HE LYS 112 1.820 23.113 -4.416 889 HZ1 LYS 112 3HZ LYS 112 2.173 24.561 -1.874 890 HZ2 LYS 112 1HZ LYS 112 1.845 25.200 -3.375 891 HZ3 LYS 112 2HZ LYS 112 0.706 24.345 -2.581 892 HA PRO 113 HA PRO 113 -0.631 20.743 -8.182 893 HB2 PRO 113 1HB PRO 113 -1.348 23.391 -8.452 894 HB3 PRO 113 2HB PRO 113 -2.519 22.090 -8.077 895 HG2 PRO 113 1HG PRO 113 -1.130 23.967 -6.138 896 HG3 PRO 113 2HG PRO 113 -2.882 23.569 -6.237 897 HD2 PRO 113 1HD PRO 113 -1.191 22.389 -4.492 898 HD3 PRO 113 2HD PRO 113 -2.545 21.479 -5.236 899 H VAL 114 H VAL 114 0.560 22.533 -9.698 900 HA VAL 114 HA VAL 114 3.127 23.313 -8.442 901 HB VAL 114 HB VAL 114 3.987 23.015 -10.791 902 HG11 VAL 114 1HG1 VAL 114 2.902 20.491 -9.487 903 HG12 VAL 114 2HG1 VAL 114 4.254 20.599 -10.636 904 HG13 VAL 114 3HG1 VAL 114 4.396 21.337 -9.034 905 HG21 VAL 114 3HG2 VAL 114 1.451 21.414 -11.311 906 HG22 VAL 114 1HG2 VAL 114 1.766 23.040 -11.964 907 HG23 VAL 114 2HG2 VAL 114 2.815 21.687 -12.410 908 H ASP 115 H ASP 115 0.489 24.697 -8.750 909 HA ASP 115 HA ASP 115 1.353 27.133 -10.273 910 HB2 ASP 115 1HB ASP 115 -0.199 25.633 -11.557 911 HB3 ASP 115 2HB ASP 115 -1.387 25.826 -10.276 912 H THR 116 H THR 116 0.943 26.227 -7.190 913 HA THR 116 HA THR 116 0.040 28.809 -6.333 914 HB THR 116 HB THR 116 -1.635 26.335 -5.710 915 HG1 THR 116 1HG THR 116 -1.851 27.918 -7.607 916 HG21 THR 116 3HG2 THR 116 -1.393 27.620 -3.631 917 HG22 THR 116 1HG2 THR 116 -1.831 29.118 -4.472 918 HG23 THR 116 2HG2 THR 116 -3.022 27.807 -4.282 Start of MODEL 16 1 H1 MET 1 H MET 1 -8.656 -18.753 13.661 2 HA MET 1 HA MET 1 -8.696 -18.228 11.331 3 HB2 MET 1 1HB MET 1 -9.162 -21.215 11.690 4 HB3 MET 1 2HB MET 1 -8.545 -20.458 10.223 5 HG2 MET 1 1HG MET 1 -6.493 -19.839 11.280 6 HG3 MET 1 2HG MET 1 -7.110 -20.233 12.890 7 HE1 MET 1 3HE MET 1 -5.227 -21.426 9.830 8 HE2 MET 1 1HE MET 1 -4.316 -21.422 11.365 9 HE3 MET 1 2HE MET 1 -4.587 -22.944 10.504 10 H TYR 2 H TYR 2 -10.272 -17.294 10.011 11 HA TYR 2 HA TYR 2 -12.292 -19.034 9.030 12 HB2 TYR 2 1HB TYR 2 -13.080 -17.453 11.252 13 HB3 TYR 2 2HB TYR 2 -13.695 -16.580 9.875 14 HD1 TYR 2 1HD TYR 2 -14.372 -19.090 8.102 15 HD2 TYR 2 2HD TYR 2 -15.114 -18.097 12.229 16 HE1 TYR 2 1HE TYR 2 -16.454 -20.390 8.029 17 HE2 TYR 2 2HE TYR 2 -17.240 -19.336 12.143 18 HH TYR 2 HH TYR 2 -18.739 -19.864 9.492 19 H THR 3 H THR 3 -12.798 -18.468 6.958 20 HA THR 3 HA THR 3 -12.133 -15.772 5.926 21 HB THR 3 HB THR 3 -12.181 -18.431 4.494 22 HG1 THR 3 1HG THR 3 -9.972 -17.041 5.611 23 HG21 THR 3 3HG2 THR 3 -12.256 -16.434 2.986 24 HG22 THR 3 1HG2 THR 3 -10.777 -15.821 3.743 25 HG23 THR 3 2HG2 THR 3 -10.743 -17.320 2.803 26 H GLU 4 H GLU 4 -14.421 -16.474 7.304 27 HA GLU 4 HA GLU 4 -16.796 -16.809 5.600 28 HB2 GLU 4 1HB GLU 4 -16.668 -17.573 7.978 29 HB3 GLU 4 2HB GLU 4 -16.430 -15.923 8.509 30 HG2 GLU 4 1HG GLU 4 -18.666 -16.037 8.851 31 HG3 GLU 4 2HG GLU 4 -18.780 -15.642 7.134 32 H GLN 5 H GLN 5 -17.234 -15.083 4.253 33 HA GLN 5 HA GLN 5 -17.330 -13.173 3.282 34 HB2 GLN 5 1HB GLN 5 -18.589 -11.676 4.308 35 HB3 GLN 5 2HB GLN 5 -18.596 -12.800 5.640 36 HG2 GLN 5 1HG GLN 5 -16.567 -11.510 6.566 37 HG3 GLN 5 2HG GLN 5 -16.944 -10.300 5.327 38 HE21 GLN 5 1HE2 GLN 5 -18.766 -8.912 5.552 39 HE22 GLN 5 2HE2 GLN 5 -19.839 -9.007 6.914 40 HA PRO 6 HA PRO 6 -13.214 -11.353 3.078 41 HB2 PRO 6 1HB PRO 6 -13.522 -8.882 2.023 42 HB3 PRO 6 2HB PRO 6 -13.935 -10.329 1.057 43 HG2 PRO 6 1HG PRO 6 -15.802 -8.580 2.692 44 HG3 PRO 6 2HG PRO 6 -15.997 -9.084 0.992 45 HD2 PRO 6 1HD PRO 6 -17.209 -10.427 3.041 46 HD3 PRO 6 2HD PRO 6 -16.576 -11.300 1.615 47 H ILE 7 H ILE 7 -11.789 -9.885 4.134 48 HA ILE 7 HA ILE 7 -12.771 -9.400 6.780 49 HB ILE 7 HB ILE 7 -10.046 -8.691 5.637 50 HG12 ILE 7 1HG1 ILE 7 -10.904 -11.301 6.984 51 HG13 ILE 7 2HG1 ILE 7 -10.561 -11.108 5.270 52 HG21 ILE 7 1HG2 ILE 7 -10.906 -9.347 8.502 53 HG22 ILE 7 2HG2 ILE 7 -9.343 -8.705 7.953 54 HG23 ILE 7 3HG2 ILE 7 -10.787 -7.694 7.885 55 HD11 ILE 7 3HD1 ILE 7 -8.550 -10.843 7.510 56 HD12 ILE 7 1HD1 ILE 7 -8.640 -12.088 6.264 57 HD13 ILE 7 2HD1 ILE 7 -8.221 -10.424 5.808 58 H ASP 8 H ASP 8 -14.289 -7.927 6.528 59 HA ASP 8 HA ASP 8 -15.556 -6.211 5.963 60 HB2 ASP 8 1HB ASP 8 -14.171 -5.564 8.123 61 HB3 ASP 8 2HB ASP 8 -13.553 -4.267 7.104 62 H LEU 9 H LEU 9 -13.560 -6.831 3.847 63 HA LEU 9 HA LEU 9 -12.239 -4.521 3.180 64 HB2 LEU 9 1HB LEU 9 -11.792 -7.114 2.751 65 HB3 LEU 9 2HB LEU 9 -12.634 -6.792 1.229 66 HG LEU 9 HG LEU 9 -10.936 -4.906 0.827 67 HD11 LEU 9 1HD1 LEU 9 -9.556 -6.270 3.197 68 HD12 LEU 9 2HD1 LEU 9 -8.786 -5.128 2.086 69 HD13 LEU 9 3HD1 LEU 9 -10.092 -4.589 3.139 70 HD21 LEU 9 3HD2 LEU 9 -10.775 -7.121 -0.241 71 HD22 LEU 9 1HD2 LEU 9 -9.177 -6.464 0.161 72 HD23 LEU 9 2HD2 LEU 9 -9.888 -7.736 1.180 73 H VAL 10 H VAL 10 -12.538 -2.931 1.708 74 HA VAL 10 HA VAL 10 -14.680 -3.264 -0.262 75 HB VAL 10 HB VAL 10 -15.117 -0.656 0.310 76 HG11 VAL 10 1HG1 VAL 10 -17.196 -1.445 1.388 77 HG12 VAL 10 2HG1 VAL 10 -16.817 -2.350 -0.083 78 HG13 VAL 10 3HG1 VAL 10 -16.498 -3.077 1.498 79 HG21 VAL 10 3HG2 VAL 10 -14.889 -1.932 3.065 80 HG22 VAL 10 1HG2 VAL 10 -13.712 -0.790 2.425 81 HG23 VAL 10 2HG2 VAL 10 -15.408 -0.294 2.664 82 HA PRO 11 HA PRO 11 -11.499 -1.445 -2.726 83 HB2 PRO 11 1HB PRO 11 -12.970 -0.778 -4.950 84 HB3 PRO 11 2HB PRO 11 -12.443 -2.438 -4.533 85 HG2 PRO 11 1HG PRO 11 -15.141 -1.309 -4.235 86 HG3 PRO 11 2HG PRO 11 -14.623 -2.980 -4.619 87 HD2 PRO 11 1HD PRO 11 -15.454 -2.001 -2.119 88 HD3 PRO 11 2HD PRO 11 -14.546 -3.509 -2.391 89 H THR 12 H THR 12 -10.825 0.676 -3.478 90 HA THR 12 HA THR 12 -12.602 2.923 -3.199 91 HB THR 12 HB THR 12 -11.939 2.660 -0.837 92 HG1 THR 12 1HG THR 12 -10.830 4.751 -0.674 93 HG21 THR 12 3HG2 THR 12 -9.822 1.543 -0.988 94 HG22 THR 12 1HG2 THR 12 -9.052 2.928 -1.806 95 HG23 THR 12 2HG2 THR 12 -9.611 3.041 -0.114 96 H GLN 13 H GLN 13 -10.560 4.866 -3.370 97 HA GLN 13 HA GLN 13 -8.698 4.090 -5.436 98 HB2 GLN 13 1HB GLN 13 -9.594 5.660 -7.160 99 HB3 GLN 13 2HB GLN 13 -10.696 4.331 -6.818 100 HG2 GLN 13 1HG GLN 13 -12.072 5.825 -5.395 101 HG3 GLN 13 2HG GLN 13 -10.955 7.160 -5.721 102 HE21 GLN 13 1HE2 GLN 13 -12.221 8.562 -6.998 103 HE22 GLN 13 2HE2 GLN 13 -13.007 8.067 -8.474 104 HA PRO 14 HA PRO 14 -6.727 7.763 -3.673 105 HB2 PRO 14 1HB PRO 14 -5.372 8.816 -5.821 106 HB3 PRO 14 2HB PRO 14 -4.850 7.330 -4.962 107 HG2 PRO 14 1HG PRO 14 -6.436 7.486 -7.510 108 HG3 PRO 14 2HG PRO 14 -4.986 6.501 -7.162 109 HD2 PRO 14 1HD PRO 14 -7.470 5.444 -6.955 110 HD3 PRO 14 2HD PRO 14 -6.218 5.026 -5.760 111 H LEU 15 H LEU 15 -7.263 9.947 -3.526 112 HA LEU 15 HA LEU 15 -9.663 10.875 -4.894 113 HB2 LEU 15 1HB LEU 15 -9.703 12.537 -3.344 114 HB3 LEU 15 2HB LEU 15 -8.900 11.273 -2.461 115 HG LEU 15 HG LEU 15 -6.748 12.630 -3.579 116 HD11 LEU 15 1HD1 LEU 15 -8.671 14.350 -4.269 117 HD12 LEU 15 2HD1 LEU 15 -8.593 14.812 -2.582 118 HD13 LEU 15 3HD1 LEU 15 -7.149 14.940 -3.600 119 HD21 LEU 15 3HD2 LEU 15 -7.010 11.899 -1.232 120 HD22 LEU 15 1HD2 LEU 15 -6.405 13.561 -1.353 121 HD23 LEU 15 2HD2 LEU 15 -8.110 13.258 -0.942 122 HA PRO 16 HA PRO 16 -7.791 12.649 -8.367 123 HB2 PRO 16 1HB PRO 16 -9.399 14.787 -8.891 124 HB3 PRO 16 2HB PRO 16 -9.948 13.099 -9.085 125 HG2 PRO 16 1HG PRO 16 -10.466 15.001 -6.807 126 HG3 PRO 16 2HG PRO 16 -11.604 13.827 -7.567 127 HD2 PRO 16 1HD PRO 16 -10.305 13.397 -5.230 128 HD3 PRO 16 2HD PRO 16 -10.770 12.100 -6.330 129 H ASN 17 H ASN 17 -6.634 14.588 -9.177 130 HA ASN 17 HA ASN 17 -5.118 16.160 -9.086 131 HB2 ASN 17 1HB ASN 17 -5.538 18.216 -8.250 132 HB3 ASN 17 2HB ASN 17 -7.154 17.571 -8.436 133 HD21 ASN 17 1HD2 ASN 17 -8.521 17.700 -6.546 134 HD22 ASN 17 2HD2 ASN 17 -7.892 17.969 -4.951 135 H ALA 18 H ALA 18 -5.486 14.453 -6.048 136 HA ALA 18 HA ALA 18 -3.279 15.279 -4.625 137 HB1 ALA 18 1HB ALA 18 -4.785 13.582 -3.834 138 HB2 ALA 18 2HB ALA 18 -4.330 12.471 -5.145 139 HB3 ALA 18 3HB ALA 18 -3.166 12.877 -3.852 140 H SER 19 H SER 19 -1.040 14.498 -4.394 141 HA SER 19 HA SER 19 0.353 13.668 -6.793 142 HB2 SER 19 1HB SER 19 1.538 16.059 -6.411 143 HB3 SER 19 2HB SER 19 0.217 15.817 -7.565 144 HG SER 19 HG SER 19 -0.014 17.669 -6.174 145 H PHE 20 H PHE 20 2.523 13.237 -6.246 146 HA PHE 20 HA PHE 20 2.814 12.244 -3.657 147 HB2 PHE 20 1HB PHE 20 3.989 11.302 -5.666 148 HB3 PHE 20 2HB PHE 20 4.927 12.776 -5.788 149 HD1 PHE 20 2HD PHE 20 4.105 10.481 -2.869 150 HD2 PHE 20 1HD PHE 20 7.180 12.355 -5.261 151 HE1 PHE 20 2HE PHE 20 5.828 9.689 -1.289 152 HE2 PHE 20 1HE PHE 20 8.881 11.530 -3.685 153 HZ PHE 20 HZ PHE 20 8.184 10.246 -1.646 154 H ASP 21 H ASP 21 4.310 12.840 -1.944 155 HA ASP 21 HA ASP 21 5.340 15.491 -1.976 156 HB2 ASP 21 1HB ASP 21 2.968 15.793 -1.260 157 HB3 ASP 21 2HB ASP 21 3.217 14.641 0.054 158 H ASN 22 H ASN 22 6.751 15.642 0.150 159 HA ASN 22 HA ASN 22 8.469 13.526 -0.068 160 HB2 ASN 22 1HB ASN 22 8.419 16.084 1.455 161 HB3 ASN 22 2HB ASN 22 9.457 14.898 2.160 162 HD21 ASN 22 1HD2 ASN 22 11.174 13.818 0.864 163 HD22 ASN 22 2HD2 ASN 22 11.990 14.891 -0.207 164 H PHE 23 H PHE 23 5.935 12.552 1.367 165 HA PHE 23 HA PHE 23 6.880 11.519 3.916 166 HB2 PHE 23 1HB PHE 23 5.010 10.092 3.908 167 HB3 PHE 23 2HB PHE 23 4.439 11.616 3.332 168 HD1 PHE 23 1HD PHE 23 5.227 8.097 2.354 169 HD2 PHE 23 2HD PHE 23 3.539 11.861 1.069 170 HE1 PHE 23 1HE PHE 23 4.218 6.977 0.406 171 HE2 PHE 23 2HE PHE 23 2.530 10.734 -0.863 172 HZ PHE 23 HZ PHE 23 2.864 8.274 -1.221 173 H LYS 24 H LYS 24 7.720 9.532 4.291 174 HA LYS 24 HA LYS 24 8.560 7.827 1.997 175 HB2 LYS 24 1HB LYS 24 10.441 8.774 3.375 176 HB3 LYS 24 2HB LYS 24 9.777 7.995 4.800 177 HG2 LYS 24 1HG LYS 24 10.118 5.795 3.588 178 HG3 LYS 24 2HG LYS 24 10.848 6.706 2.263 179 HD2 LYS 24 1HD LYS 24 12.647 7.443 3.874 180 HD3 LYS 24 2HD LYS 24 11.885 6.416 5.120 181 HE2 LYS 24 1HE LYS 24 11.952 4.481 3.604 182 HE3 LYS 24 2HE LYS 24 12.724 5.469 2.341 183 HZ1 LYS 24 3HZ LYS 24 14.689 5.575 3.644 184 HZ2 LYS 24 1HZ LYS 24 13.958 4.913 4.966 185 HZ3 LYS 24 2HZ LYS 24 14.236 3.990 3.647 186 H LEU 25 H LEU 25 8.332 5.571 2.660 187 HA LEU 25 HA LEU 25 6.628 5.105 5.029 188 HB2 LEU 25 1HB LEU 25 5.409 3.235 3.892 189 HB3 LEU 25 2HB LEU 25 4.954 4.887 3.493 190 HG LEU 25 HG LEU 25 6.246 4.704 1.347 191 HD11 LEU 25 1HD1 LEU 25 6.841 2.528 0.491 192 HD12 LEU 25 2HD1 LEU 25 7.727 2.747 1.969 193 HD13 LEU 25 3HD1 LEU 25 6.292 1.704 1.974 194 HD21 LEU 25 3HD2 LEU 25 3.983 2.730 1.880 195 HD22 LEU 25 1HD2 LEU 25 3.840 4.431 1.405 196 HD23 LEU 25 2HD2 LEU 25 4.519 3.252 0.274 197 H THR 26 H THR 26 6.842 3.057 6.058 198 HA THR 26 HA THR 26 9.497 1.800 5.618 199 HB THR 26 HB THR 26 9.980 2.311 7.965 200 HG1 THR 26 1HG THR 26 8.188 2.664 9.082 201 HG21 THR 26 3HG2 THR 26 10.399 4.674 7.836 202 HG22 THR 26 1HG2 THR 26 10.584 4.031 6.195 203 HG23 THR 26 2HG2 THR 26 9.110 4.912 6.652 204 H CYS 27 H CYS 27 9.685 -0.356 6.545 205 HA CYS 27 HA CYS 27 7.729 -1.540 8.209 206 HB2 CYS 27 1HB CYS 27 6.498 -1.294 5.928 207 HB3 CYS 27 2HB CYS 27 7.578 -2.398 5.318 208 HG CYS 27 HG CYS 27 5.308 -3.659 5.872 209 H SER 28 H SER 28 8.237 -3.831 8.578 210 HA SER 28 HA SER 28 10.880 -4.125 9.204 211 HB2 SER 28 1HB SER 28 8.854 -6.290 8.745 212 HB3 SER 28 2HB SER 28 10.308 -6.445 9.737 213 HG SER 28 HG SER 28 9.408 -5.408 11.283 214 H ASN 29 H ASN 29 9.202 -5.552 6.358 215 HA ASN 29 HA ASN 29 11.757 -6.790 5.427 216 HB2 ASN 29 1HB ASN 29 9.767 -8.047 4.881 217 HB3 ASN 29 2HB ASN 29 9.025 -6.684 4.076 218 HD21 ASN 29 1HD2 ASN 29 10.319 -9.470 3.292 219 HD22 ASN 29 2HD2 ASN 29 11.042 -9.083 1.741 220 H THR 30 H THR 30 13.247 -5.441 4.735 221 HA THR 30 HA THR 30 12.931 -2.692 4.324 222 HB THR 30 HB THR 30 15.190 -2.960 3.128 223 HG1 THR 30 1HG THR 30 15.851 -5.373 3.842 224 HG21 THR 30 3HG2 THR 30 16.416 -3.622 5.166 225 HG22 THR 30 1HG2 THR 30 15.137 -2.437 5.475 226 HG23 THR 30 2HG2 THR 30 14.882 -4.134 5.916 227 H LYS 31 H LYS 31 13.121 -5.325 1.907 228 HA LYS 31 HA LYS 31 13.182 -3.602 -0.336 229 HB2 LYS 31 1HB LYS 31 13.943 -5.926 -0.548 230 HB3 LYS 31 2HB LYS 31 12.307 -6.502 -0.262 231 HG2 LYS 31 1HG LYS 31 12.876 -6.552 -2.653 232 HG3 LYS 31 2HG LYS 31 11.498 -5.533 -2.337 233 HD2 LYS 31 1HD LYS 31 12.835 -4.533 -4.019 234 HD3 LYS 31 2HD LYS 31 12.934 -3.488 -2.621 235 HE2 LYS 31 1HE LYS 31 15.090 -5.568 -3.130 236 HE3 LYS 31 2HE LYS 31 15.038 -4.105 -4.101 237 HZ1 LYS 31 3HZ LYS 31 16.495 -3.789 -2.282 238 HZ2 LYS 31 1HZ LYS 31 15.226 -2.779 -2.082 239 HZ3 LYS 31 2HZ LYS 31 15.383 -4.167 -1.165 240 H PHE 32 H PHE 32 10.375 -5.146 1.352 241 HA PHE 32 HA PHE 32 8.481 -4.357 -0.554 242 HB2 PHE 32 1HB PHE 32 8.211 -5.681 1.727 243 HB3 PHE 32 2HB PHE 32 7.928 -4.089 2.402 244 HD1 PHE 32 1HD PHE 32 6.893 -5.983 -0.658 245 HD2 PHE 32 2HD PHE 32 5.587 -3.640 2.684 246 HE1 PHE 32 1HE PHE 32 4.523 -6.166 -1.463 247 HE2 PHE 32 2HE PHE 32 3.232 -3.867 1.928 248 HZ PHE 32 HZ PHE 32 2.703 -5.133 -0.148 249 H ALA 33 H ALA 33 9.374 -2.423 2.392 250 HA ALA 33 HA ALA 33 7.964 -0.108 1.553 251 HB1 ALA 33 1HB ALA 33 8.747 -0.507 3.869 252 HB2 ALA 33 2HB ALA 33 10.437 -0.371 3.329 253 HB3 ALA 33 3HB ALA 33 9.360 1.035 3.244 254 H ASP 34 H ASP 34 11.163 -1.262 0.730 255 HA ASP 34 HA ASP 34 12.262 1.269 -0.169 256 HB2 ASP 34 1HB ASP 34 13.674 -0.534 0.651 257 HB3 ASP 34 2HB ASP 34 13.079 -1.610 -0.614 258 H ASP 35 H ASP 35 10.965 -1.601 -1.880 259 HA ASP 35 HA ASP 35 11.305 -0.679 -4.563 260 HB2 ASP 35 1HB ASP 35 10.763 -3.039 -3.708 261 HB3 ASP 35 2HB ASP 35 9.097 -2.490 -3.642 262 H LEU 36 H LEU 36 8.617 -0.485 -2.230 263 HA LEU 36 HA LEU 36 6.767 0.908 -3.854 264 HB2 LEU 36 1HB LEU 36 7.313 0.762 -0.882 265 HB3 LEU 36 2HB LEU 36 6.015 1.782 -1.494 266 HG LEU 36 HG LEU 36 6.214 -1.180 -2.167 267 HD11 LEU 36 1HD1 LEU 36 4.805 -1.639 -0.377 268 HD12 LEU 36 2HD1 LEU 36 6.057 -0.642 0.329 269 HD13 LEU 36 3HD1 LEU 36 4.486 0.119 -0.053 270 HD21 LEU 36 3HD2 LEU 36 4.803 -0.023 -3.723 271 HD22 LEU 36 1HD2 LEU 36 3.705 -0.727 -2.537 272 HD23 LEU 36 2HD2 LEU 36 4.077 0.987 -2.455 273 H ASN 37 H ASN 37 9.254 2.177 -1.570 274 HA ASN 37 HA ASN 37 8.652 4.946 -1.976 275 HB2 ASN 37 1HB ASN 37 11.051 3.354 -1.025 276 HB3 ASN 37 2HB ASN 37 11.196 5.050 -1.312 277 HD21 ASN 37 1HD2 ASN 37 10.350 2.819 0.926 278 HD22 ASN 37 2HD2 ASN 37 9.620 3.841 2.161 279 H GLN 38 H GLN 38 10.470 2.546 -3.943 280 HA GLN 38 HA GLN 38 11.815 4.486 -5.577 281 HB2 GLN 38 1HB GLN 38 11.618 1.543 -5.210 282 HB3 GLN 38 2HB GLN 38 11.865 2.053 -6.843 283 HG2 GLN 38 1HG GLN 38 13.566 3.255 -4.621 284 HG3 GLN 38 2HG GLN 38 13.857 1.602 -5.144 285 HE21 GLN 38 1HE2 GLN 38 14.265 4.988 -6.097 286 HE22 GLN 38 2HE2 GLN 38 15.095 4.599 -7.594 287 H MET 39 H MET 39 8.684 2.593 -5.772 288 HA MET 39 HA MET 39 8.160 3.214 -8.465 289 HB2 MET 39 1HB MET 39 6.347 2.625 -6.116 290 HB3 MET 39 2HB MET 39 5.817 2.659 -7.803 291 HG2 MET 39 1HG MET 39 7.034 0.730 -8.361 292 HG3 MET 39 2HG MET 39 8.070 0.857 -6.941 293 HE1 MET 39 3HE MET 39 4.269 1.474 -6.730 294 HE2 MET 39 1HE MET 39 4.391 0.320 -8.078 295 HE3 MET 39 2HE MET 39 3.599 -0.165 -6.569 296 H THR 40 H THR 40 7.996 5.305 -5.701 297 HA THR 40 HA THR 40 6.508 7.318 -7.342 298 HB THR 40 HB THR 40 5.163 6.382 -5.537 299 HG1 THR 40 1HG THR 40 5.891 9.069 -5.252 300 HG21 THR 40 3HG2 THR 40 7.220 7.582 -3.637 301 HG22 THR 40 1HG2 THR 40 5.638 6.920 -3.178 302 HG23 THR 40 2HG2 THR 40 6.877 5.853 -3.857 303 H GLY 41 H GLY 41 9.570 6.602 -6.432 304 HA2 GLY 41 1HA GLY 41 11.457 7.893 -6.542 305 HA3 GLY 41 2HA GLY 41 10.410 9.209 -7.117 306 H PHE 42 H PHE 42 10.236 7.641 -3.913 307 HA PHE 42 HA PHE 42 10.200 10.082 -2.432 308 HB2 PHE 42 1HB PHE 42 9.391 8.319 -1.157 309 HB3 PHE 42 2HB PHE 42 10.511 7.164 -1.851 310 HD1 PHE 42 1HD PHE 42 10.319 10.009 0.591 311 HD2 PHE 42 2HD PHE 42 12.628 6.649 -0.866 312 HE1 PHE 42 1HE PHE 42 12.067 10.484 2.215 313 HE2 PHE 42 2HE PHE 42 14.358 7.098 0.821 314 HZ PHE 42 HZ PHE 42 14.107 9.036 2.346 315 H THR 43 H THR 43 11.765 11.365 -1.479 316 HA THR 43 HA THR 43 14.578 10.508 -1.433 317 HB THR 43 HB THR 43 13.473 13.185 -2.423 318 HG1 THR 43 1HG THR 43 13.125 12.174 -4.174 319 HG21 THR 43 3HG2 THR 43 15.764 13.543 -3.337 320 HG22 THR 43 1HG2 THR 43 15.702 13.463 -1.584 321 HG23 THR 43 2HG2 THR 43 16.297 12.053 -2.502 322 H LYS 44 H LYS 44 15.815 11.737 0.175 323 HA LYS 44 HA LYS 44 14.115 12.524 2.428 324 HB2 LYS 44 1HB LYS 44 16.709 11.205 2.080 325 HB3 LYS 44 2HB LYS 44 16.835 12.507 3.239 326 HG2 LYS 44 1HG LYS 44 15.256 11.512 4.698 327 HG3 LYS 44 2HG LYS 44 14.513 10.619 3.412 328 HD2 LYS 44 1HD LYS 44 15.757 9.188 5.001 329 HD3 LYS 44 2HD LYS 44 16.428 9.066 3.363 330 HE2 LYS 44 1HE LYS 44 18.212 10.697 3.967 331 HE3 LYS 44 2HE LYS 44 17.531 10.840 5.593 332 HZ1 LYS 44 3HZ LYS 44 18.703 8.379 4.419 333 HZ2 LYS 44 1HZ LYS 44 19.416 9.367 5.503 334 HZ3 LYS 44 2HZ LYS 44 18.092 8.524 5.960 335 HA PRO 45 HA PRO 45 15.312 13.528 4.450 336 HB2 PRO 45 1HB PRO 45 13.990 16.042 5.244 337 HB3 PRO 45 2HB PRO 45 15.309 15.201 6.107 338 HG2 PRO 45 1HG PRO 45 15.728 17.535 4.753 339 HG3 PRO 45 2HG PRO 45 16.932 16.208 4.724 340 HD2 PRO 45 1HD PRO 45 14.841 16.892 2.643 341 HD3 PRO 45 2HD PRO 45 16.564 16.458 2.412 342 H ALA 46 H ALA 46 13.421 12.162 4.986 343 HA ALA 46 HA ALA 46 11.061 12.665 3.491 344 HB1 ALA 46 1HB ALA 46 10.183 10.738 4.574 345 HB2 ALA 46 2HB ALA 46 11.906 10.382 4.356 346 HB3 ALA 46 3HB ALA 46 11.286 10.873 5.948 347 H SER 47 H SER 47 9.278 13.804 4.018 348 HA SER 47 HA SER 47 9.271 15.527 6.365 349 HB2 SER 47 1HB SER 47 7.335 15.078 4.058 350 HB3 SER 47 2HB SER 47 7.067 16.264 5.355 351 HG SER 47 HG SER 47 8.891 17.312 4.815 352 H ARG 48 H ARG 48 8.232 12.304 5.935 353 HA ARG 48 HA ARG 48 7.530 12.011 8.591 354 HB2 ARG 48 1HB ARG 48 5.136 11.088 8.103 355 HB3 ARG 48 2HB ARG 48 5.359 12.786 8.471 356 HG2 ARG 48 1HG ARG 48 4.815 13.511 6.351 357 HG3 ARG 48 2HG ARG 48 5.375 12.030 5.562 358 HD2 ARG 48 1HD ARG 48 3.522 10.796 6.218 359 HD3 ARG 48 2HD ARG 48 2.944 12.012 7.368 360 HE ARG 48 HE ARG 48 2.573 11.924 4.469 361 HH11 ARG 48 2HH2 ARG 48 2.441 14.150 7.293 362 HH12 ARG 48 1HH2 ARG 48 1.204 15.111 6.527 363 HH21 ARG 48 2HH1 ARG 48 0.810 13.172 3.701 364 HH22 ARG 48 1HH1 ARG 48 0.498 14.713 4.450 365 H GLU 49 H GLU 49 7.100 9.632 8.998 366 HA GLU 49 HA GLU 49 7.865 7.929 6.682 367 HB2 GLU 49 1HB GLU 49 8.982 7.991 9.489 368 HB3 GLU 49 2HB GLU 49 9.142 6.616 8.378 369 HG2 GLU 49 1HG GLU 49 10.431 7.875 6.821 370 HG3 GLU 49 2HG GLU 49 10.045 9.407 7.599 371 H LEU 50 H LEU 50 5.885 7.204 6.332 372 HA LEU 50 HA LEU 50 4.029 6.389 8.423 373 HB2 LEU 50 1HB LEU 50 3.838 5.920 5.416 374 HB3 LEU 50 2HB LEU 50 2.583 5.613 6.584 375 HG LEU 50 HG LEU 50 1.838 7.541 5.763 376 HD11 LEU 50 1HD1 LEU 50 2.271 7.939 8.236 377 HD12 LEU 50 2HD1 LEU 50 3.713 8.851 7.759 378 HD13 LEU 50 3HD1 LEU 50 2.089 9.383 7.256 379 HD21 LEU 50 3HD2 LEU 50 3.605 7.779 4.161 380 HD22 LEU 50 1HD2 LEU 50 2.973 9.290 4.770 381 HD23 LEU 50 2HD2 LEU 50 4.550 8.672 5.390 382 H SER 51 H SER 51 3.629 4.422 9.227 383 HA SER 51 HA SER 51 5.550 2.282 8.407 384 HB2 SER 51 1HB SER 51 5.206 3.222 10.817 385 HB3 SER 51 2HB SER 51 3.699 2.253 10.815 386 HG SER 51 HG SER 51 5.272 1.004 11.695 387 H VAL 52 H VAL 52 4.885 0.170 7.748 388 HA VAL 52 HA VAL 52 1.969 -0.070 7.158 389 HB VAL 52 HB VAL 52 4.440 -1.329 5.993 390 HG11 VAL 52 1HG1 VAL 52 1.534 -1.619 5.088 391 HG12 VAL 52 2HG1 VAL 52 2.950 -2.215 4.196 392 HG13 VAL 52 3HG1 VAL 52 2.547 -2.917 5.759 393 HG21 VAL 52 3HG2 VAL 52 4.316 0.982 5.349 394 HG22 VAL 52 1HG2 VAL 52 3.812 0.013 3.968 395 HG23 VAL 52 2HG2 VAL 52 2.589 0.816 4.949 396 H THR 53 H THR 53 0.792 -1.848 7.833 397 HA THR 53 HA THR 53 2.098 -3.913 9.609 398 HB THR 53 HB THR 53 -0.227 -4.092 10.408 399 HG1 THR 53 1HG THR 53 -1.212 -2.785 8.921 400 HG21 THR 53 3HG2 THR 53 1.402 -1.596 11.023 401 HG22 THR 53 1HG2 THR 53 0.192 -2.334 12.109 402 HG23 THR 53 2HG2 THR 53 1.677 -3.193 11.696 403 H PHE 54 H PHE 54 2.099 -5.925 8.900 404 HA PHE 54 HA PHE 54 0.435 -6.730 6.583 405 HB2 PHE 54 1HB PHE 54 2.596 -8.157 8.217 406 HB3 PHE 54 2HB PHE 54 1.769 -8.820 6.819 407 HD1 PHE 54 1HD PHE 54 1.908 -5.919 5.363 408 HD2 PHE 54 2HD PHE 54 4.805 -8.578 7.127 409 HE1 PHE 54 1HE PHE 54 3.601 -5.140 3.773 410 HE2 PHE 54 2HE PHE 54 6.439 -7.897 5.467 411 HZ PHE 54 HZ PHE 54 5.909 -6.139 3.790 412 H PHE 55 H PHE 55 -1.387 -8.021 6.879 413 HA PHE 55 HA PHE 55 -2.490 -8.173 9.381 414 HB2 PHE 55 1HB PHE 55 -3.233 -8.815 6.773 415 HB3 PHE 55 2HB PHE 55 -3.422 -10.317 7.669 416 HD1 PHE 55 1HD PHE 55 -4.155 -6.608 8.172 417 HD2 PHE 55 2HD PHE 55 -5.596 -10.679 8.505 418 HE1 PHE 55 1HE PHE 55 -6.332 -5.809 8.970 419 HE2 PHE 55 2HE PHE 55 -7.719 -9.840 9.406 420 HZ PHE 55 HZ PHE 55 -8.114 -7.398 9.630 421 HA PRO 56 HA PRO 56 -3.611 -9.340 10.776 422 HB2 PRO 56 1HB PRO 56 -3.730 -10.494 13.244 423 HB3 PRO 56 2HB PRO 56 -4.340 -11.325 11.788 424 HG2 PRO 56 1HG PRO 56 -1.687 -11.708 13.192 425 HG3 PRO 56 2HG PRO 56 -2.782 -12.956 12.529 426 HD2 PRO 56 1HD PRO 56 -0.531 -11.902 11.210 427 HD3 PRO 56 2HD PRO 56 -1.907 -12.691 10.395 428 H ASP 57 H ASP 57 -2.424 -7.399 10.696 429 HA ASP 57 HA ASP 57 -2.180 -6.262 13.205 430 HB2 ASP 57 1HB ASP 57 0.323 -6.899 12.693 431 HB3 ASP 57 2HB ASP 57 0.201 -5.800 11.339 432 H LEU 58 H LEU 58 -3.048 -4.234 12.824 433 HA LEU 58 HA LEU 58 -3.259 -3.075 10.098 434 HB2 LEU 58 1HB LEU 58 -5.680 -2.693 10.493 435 HB3 LEU 58 2HB LEU 58 -5.203 -4.327 10.109 436 HG LEU 58 HG LEU 58 -5.556 -3.583 13.031 437 HD11 LEU 58 1HD1 LEU 58 -7.901 -4.053 12.925 438 HD12 LEU 58 2HD1 LEU 58 -7.551 -2.759 11.785 439 HD13 LEU 58 3HD1 LEU 58 -7.815 -4.410 11.183 440 HD21 LEU 58 3HD2 LEU 58 -5.928 -6.144 11.380 441 HD22 LEU 58 1HD2 LEU 58 -4.775 -5.883 12.689 442 HD23 LEU 58 2HD2 LEU 58 -6.483 -5.999 13.043 443 H ASN 59 H ASN 59 -1.691 -2.495 12.641 444 HA ASN 59 HA ASN 59 -2.993 -0.002 13.600 445 HB2 ASN 59 1HB ASN 59 -0.868 -1.862 14.784 446 HB3 ASN 59 2HB ASN 59 -1.312 -0.328 15.492 447 HD21 ASN 59 1HD2 ASN 59 -4.001 -1.557 14.034 448 HD22 ASN 59 2HD2 ASN 59 -4.789 -2.322 15.422 449 H GLY 60 H GLY 60 -0.865 -0.737 11.352 450 HA2 GLY 60 1HA GLY 60 1.211 1.286 11.688 451 HA3 GLY 60 2HA GLY 60 0.722 0.533 10.161 452 H ASP 61 H ASP 61 1.267 2.955 9.727 453 HA ASP 61 HA ASP 61 -1.114 4.671 9.849 454 HB2 ASP 61 1HB ASP 61 1.595 4.923 8.892 455 HB3 ASP 61 2HB ASP 61 0.540 5.222 7.547 456 H VAL 62 H VAL 62 0.373 2.238 7.736 457 HA VAL 62 HA VAL 62 -2.205 2.007 6.223 458 HB VAL 62 HB VAL 62 0.636 1.693 5.186 459 HG11 VAL 62 1HG1 VAL 62 -0.488 1.775 2.915 460 HG12 VAL 62 2HG1 VAL 62 -0.804 0.307 3.854 461 HG13 VAL 62 3HG1 VAL 62 -2.034 1.576 3.740 462 HG21 VAL 62 3HG2 VAL 62 0.192 3.763 3.897 463 HG22 VAL 62 1HG2 VAL 62 -1.324 3.993 4.813 464 HG23 VAL 62 2HG2 VAL 62 0.260 4.044 5.614 465 H VAL 63 H VAL 63 -2.886 -0.112 5.659 466 HA VAL 63 HA VAL 63 -1.416 -2.290 6.973 467 HB VAL 63 HB VAL 63 -3.212 -2.125 8.059 468 HG11 VAL 63 1HG1 VAL 63 -4.378 -0.348 7.341 469 HG12 VAL 63 2HG1 VAL 63 -5.215 -1.314 6.128 470 HG13 VAL 63 3HG1 VAL 63 -5.410 -1.661 7.875 471 HG21 VAL 63 3HG2 VAL 63 -4.186 -4.175 6.133 472 HG22 VAL 63 1HG2 VAL 63 -3.117 -4.391 7.535 473 HG23 VAL 63 2HG2 VAL 63 -4.809 -3.922 7.766 474 H ALA 64 H ALA 64 -1.669 -4.481 5.957 475 HA ALA 64 HA ALA 64 -1.938 -4.391 3.026 476 HB1 ALA 64 1HB ALA 64 0.101 -6.136 4.386 477 HB2 ALA 64 2HB ALA 64 -0.015 -5.709 2.677 478 HB3 ALA 64 3HB ALA 64 0.556 -4.496 3.850 479 H ILE 65 H ILE 65 -2.652 -6.376 2.152 480 HA ILE 65 HA ILE 65 -3.556 -8.431 4.040 481 HB ILE 65 HB ILE 65 -5.155 -7.159 1.792 482 HG12 ILE 65 1HG1 ILE 65 -5.154 -5.867 3.947 483 HG13 ILE 65 2HG1 ILE 65 -6.726 -6.410 3.441 484 HG21 ILE 65 1HG2 ILE 65 -5.880 -9.591 3.474 485 HG22 ILE 65 2HG2 ILE 65 -7.030 -8.666 2.483 486 HG23 ILE 65 3HG2 ILE 65 -5.683 -9.503 1.718 487 HD11 ILE 65 3HD1 ILE 65 -6.766 -8.135 5.158 488 HD12 ILE 65 1HD1 ILE 65 -5.054 -7.848 5.550 489 HD13 ILE 65 2HD1 ILE 65 -6.262 -6.610 5.898 490 H ASP 66 H ASP 66 -3.551 -10.456 3.076 491 HA ASP 66 HA ASP 66 -1.552 -11.158 1.190 492 HB2 ASP 66 1HB ASP 66 -2.359 -12.605 2.963 493 HB3 ASP 66 2HB ASP 66 -3.996 -12.568 2.316 494 H TYR 67 H TYR 67 -1.630 -11.177 -0.968 495 HA TYR 67 HA TYR 67 -3.443 -10.098 -2.711 496 HB2 TYR 67 1HB TYR 67 -1.194 -10.649 -3.321 497 HB3 TYR 67 2HB TYR 67 -1.427 -12.358 -3.057 498 HD1 TYR 67 1HD TYR 67 -2.910 -13.706 -4.671 499 HD2 TYR 67 2HD TYR 67 -1.738 -9.620 -5.407 500 HE1 TYR 67 1HE TYR 67 -3.500 -13.976 -7.058 501 HE2 TYR 67 2HE TYR 67 -2.342 -9.890 -7.804 502 HH TYR 67 HH TYR 67 -3.061 -12.909 -9.297 503 H ARG 68 H ARG 68 -3.894 -13.253 -1.145 504 HA ARG 68 HA ARG 68 -5.662 -14.478 -2.914 505 HB2 ARG 68 1HB ARG 68 -6.405 -15.742 -1.094 506 HB3 ARG 68 2HB ARG 68 -4.739 -15.320 -0.711 507 HG2 ARG 68 1HG ARG 68 -5.565 -13.501 0.800 508 HG3 ARG 68 2HG ARG 68 -7.231 -14.029 0.481 509 HD2 ARG 68 1HD ARG 68 -6.683 -16.287 1.302 510 HD3 ARG 68 2HD ARG 68 -5.040 -15.774 1.667 511 HE ARG 68 HE ARG 68 -7.557 -14.789 2.988 512 HH11 ARG 68 2HH2 ARG 68 -3.949 -14.960 3.185 513 HH12 ARG 68 1HH2 ARG 68 -4.020 -14.452 4.862 514 HH21 ARG 68 2HH1 ARG 68 -7.478 -14.106 5.039 515 HH22 ARG 68 1HH1 ARG 68 -5.951 -13.932 5.896 516 H HIS 69 H HIS 69 -6.350 -11.549 -1.015 517 HA HIS 69 HA HIS 69 -9.243 -11.777 -1.709 518 HB2 HIS 69 1HB HIS 69 -7.673 -10.224 0.315 519 HB3 HIS 69 2HB HIS 69 -9.150 -9.512 -0.299 520 HD1 HIS 69 1HD HIS 69 -10.189 -12.992 -0.234 521 HD2 HIS 69 2HD HIS 69 -9.521 -9.903 2.566 522 HE1 HIS 69 1HE HIS 69 -11.492 -13.607 1.817 523 H TYR 70 H TYR 70 -6.558 -10.621 -3.343 524 HA TYR 70 HA TYR 70 -7.695 -8.101 -4.228 525 HB2 TYR 70 1HB TYR 70 -5.274 -8.396 -4.115 526 HB3 TYR 70 2HB TYR 70 -5.355 -9.716 -5.254 527 HD1 TYR 70 2HD TYR 70 -7.508 -6.746 -5.984 528 HD2 TYR 70 1HD TYR 70 -3.676 -8.591 -6.539 529 HE1 TYR 70 2HE TYR 70 -7.135 -5.331 -7.941 530 HE2 TYR 70 1HE TYR 70 -3.322 -7.276 -8.612 531 HH TYR 70 HH TYR 70 -4.373 -5.948 -10.154 532 H SER 71 H SER 71 -9.702 -8.705 -4.928 533 HA SER 71 HA SER 71 -9.851 -10.126 -7.535 534 HB2 SER 71 1HB SER 71 -11.491 -10.321 -5.308 535 HB3 SER 71 2HB SER 71 -12.398 -9.211 -6.339 536 HG SER 71 HG SER 71 -12.510 -11.695 -6.574 537 H ALA 72 H ALA 72 -11.404 -9.088 -9.152 538 HA ALA 72 HA ALA 72 -10.168 -6.683 -9.956 539 HB1 ALA 72 1HB ALA 72 -11.090 -8.348 -11.512 540 HB2 ALA 72 2HB ALA 72 -12.743 -7.966 -10.966 541 HB3 ALA 72 3HB ALA 72 -11.782 -6.756 -11.821 542 H SER 73 H SER 73 -12.959 -6.930 -7.808 543 HA SER 73 HA SER 73 -14.036 -4.362 -8.353 544 HB2 SER 73 1HB SER 73 -13.838 -5.484 -5.564 545 HB3 SER 73 2HB SER 73 -15.150 -4.590 -6.339 546 HG SER 73 HG SER 73 -15.486 -6.402 -7.713 547 H PHE 74 H PHE 74 -11.178 -5.443 -6.565 548 HA PHE 74 HA PHE 74 -10.659 -2.860 -5.276 549 HB2 PHE 74 1HB PHE 74 -9.180 -5.491 -5.243 550 HB3 PHE 74 2HB PHE 74 -8.943 -4.189 -4.154 551 HD1 PHE 74 1HD PHE 74 -11.266 -3.548 -2.690 552 HD2 PHE 74 2HD PHE 74 -10.549 -7.258 -4.691 553 HE1 PHE 74 1HE PHE 74 -12.872 -4.697 -1.149 554 HE2 PHE 74 2HE PHE 74 -12.235 -8.357 -3.232 555 HZ PHE 74 HZ PHE 74 -13.365 -7.066 -1.453 556 H LYS 75 H LYS 75 -10.514 -3.079 -8.293 557 HA LYS 75 HA LYS 75 -7.869 -3.402 -9.186 558 HB2 LYS 75 1HB LYS 75 -9.240 -3.691 -10.959 559 HB3 LYS 75 2HB LYS 75 -10.553 -2.888 -10.159 560 HG2 LYS 75 1HG LYS 75 -10.376 -1.693 -12.086 561 HG3 LYS 75 2HG LYS 75 -9.594 -0.664 -10.904 562 HD2 LYS 75 1HD LYS 75 -7.459 -2.043 -11.700 563 HD3 LYS 75 2HD LYS 75 -8.431 -2.281 -13.157 564 HE2 LYS 75 1HE LYS 75 -8.638 0.195 -13.321 565 HE3 LYS 75 2HE LYS 75 -7.682 0.339 -11.824 566 HZ1 LYS 75 3HZ LYS 75 -5.825 -0.719 -12.988 567 HZ2 LYS 75 1HZ LYS 75 -6.717 -0.866 -14.360 568 HZ3 LYS 75 2HZ LYS 75 -6.285 0.613 -13.831 569 H LYS 76 H LYS 76 -9.610 -0.503 -8.004 570 HA LYS 76 HA LYS 76 -7.386 1.241 -8.931 571 HB2 LYS 76 1HB LYS 76 -10.136 1.944 -7.871 572 HB3 LYS 76 2HB LYS 76 -8.874 3.068 -8.415 573 HG2 LYS 76 1HG LYS 76 -8.957 1.627 -10.636 574 HG3 LYS 76 2HG LYS 76 -10.534 1.104 -10.013 575 HD2 LYS 76 1HD LYS 76 -11.187 3.526 -9.874 576 HD3 LYS 76 2HD LYS 76 -9.646 3.947 -10.599 577 HE2 LYS 76 1HE LYS 76 -10.934 3.891 -12.505 578 HE3 LYS 76 2HE LYS 76 -10.300 2.230 -12.474 579 HZ1 LYS 76 3HZ LYS 76 -12.718 2.362 -12.914 580 HZ2 LYS 76 1HZ LYS 76 -12.416 1.516 -11.556 581 HZ3 LYS 76 2HZ LYS 76 -12.986 3.067 -11.495 582 H GLY 77 H GLY 77 -7.781 -0.720 -6.363 583 HA2 GLY 77 1HA GLY 77 -6.165 -0.387 -4.521 584 HA3 GLY 77 2HA GLY 77 -6.863 1.229 -4.323 585 H ALA 78 H ALA 78 -6.940 -0.466 -2.112 586 HA ALA 78 HA ALA 78 -9.830 -0.612 -1.757 587 HB1 ALA 78 1HB ALA 78 -8.047 -3.043 -1.339 588 HB2 ALA 78 2HB ALA 78 -9.778 -2.913 -0.895 589 HB3 ALA 78 3HB ALA 78 -9.282 -2.823 -2.588 590 H LYS 79 H LYS 79 -10.311 -1.213 0.564 591 HA LYS 79 HA LYS 79 -8.264 -0.356 2.487 592 HB2 LYS 79 1HB LYS 79 -10.028 1.160 3.508 593 HB3 LYS 79 2HB LYS 79 -9.276 1.761 2.033 594 HG2 LYS 79 1HG LYS 79 -11.235 1.410 0.746 595 HG3 LYS 79 2HG LYS 79 -11.862 0.228 1.841 596 HD2 LYS 79 1HD LYS 79 -12.129 2.040 3.573 597 HD3 LYS 79 2HD LYS 79 -11.682 3.212 2.321 598 HE2 LYS 79 1HE LYS 79 -13.663 2.738 1.054 599 HE3 LYS 79 2HE LYS 79 -13.955 1.237 1.940 600 HZ1 LYS 79 3HZ LYS 79 -14.177 3.922 3.162 601 HZ2 LYS 79 1HZ LYS 79 -15.431 2.964 2.636 602 HZ3 LYS 79 2HZ LYS 79 -14.521 2.463 3.874 603 H LEU 80 H LEU 80 -8.892 -0.884 4.563 604 HA LEU 80 HA LEU 80 -10.692 -3.177 4.983 605 HB2 LEU 80 1HB LEU 80 -8.121 -2.900 5.880 606 HB3 LEU 80 2HB LEU 80 -8.904 -1.885 7.071 607 HG LEU 80 HG LEU 80 -10.435 -3.962 7.473 608 HD11 LEU 80 1HD1 LEU 80 -8.125 -5.353 6.057 609 HD12 LEU 80 2HD1 LEU 80 -9.519 -6.116 6.854 610 HD13 LEU 80 3HD1 LEU 80 -9.758 -5.164 5.400 611 HD21 LEU 80 3HD2 LEU 80 -8.717 -3.245 9.082 612 HD22 LEU 80 1HD2 LEU 80 -8.743 -5.009 8.953 613 HD23 LEU 80 2HD2 LEU 80 -7.463 -4.079 8.132 614 H LEU 81 H LEU 81 -11.612 -2.672 7.292 615 HA LEU 81 HA LEU 81 -13.798 -1.427 7.502 616 HB2 LEU 81 1HB LEU 81 -12.422 -2.478 9.364 617 HB3 LEU 81 2HB LEU 81 -11.783 -0.938 9.717 618 HG LEU 81 HG LEU 81 -14.651 -0.636 9.517 619 HD11 LEU 81 1HD1 LEU 81 -13.787 -2.894 11.375 620 HD12 LEU 81 2HD1 LEU 81 -15.401 -2.110 11.355 621 HD13 LEU 81 3HD1 LEU 81 -14.835 -3.010 9.959 622 HD21 LEU 81 3HD2 LEU 81 -13.351 0.883 10.806 623 HD22 LEU 81 1HD2 LEU 81 -14.489 0.086 11.877 624 HD23 LEU 81 2HD2 LEU 81 -12.779 -0.408 11.890 625 H HIS 82 H HIS 82 -11.028 0.446 8.459 626 HA HIS 82 HA HIS 82 -12.209 2.914 7.225 627 HB2 HIS 82 1HB HIS 82 -11.909 4.265 9.151 628 HB3 HIS 82 2HB HIS 82 -12.838 2.852 9.624 629 HD1 HIS 82 1HD HIS 82 -10.173 4.884 10.985 630 HD2 HIS 82 2HD HIS 82 -11.022 0.761 10.668 631 HE1 HIS 82 1HE HIS 82 -8.800 3.717 12.770 632 H LYS 83 H LYS 83 -9.797 1.116 6.533 633 HA LYS 83 HA LYS 83 -7.632 3.130 6.835 634 HB2 LYS 83 1HB LYS 83 -7.858 0.326 7.965 635 HB3 LYS 83 2HB LYS 83 -6.308 0.882 7.383 636 HG2 LYS 83 1HG LYS 83 -7.597 2.959 9.054 637 HG3 LYS 83 2HG LYS 83 -7.412 1.428 9.913 638 HD2 LYS 83 1HD LYS 83 -5.177 2.744 8.374 639 HD3 LYS 83 2HD LYS 83 -5.441 3.022 10.061 640 HE2 LYS 83 1HE LYS 83 -5.003 0.824 10.715 641 HE3 LYS 83 2HE LYS 83 -5.165 0.209 9.069 642 HZ1 LYS 83 3HZ LYS 83 -3.153 1.720 8.607 643 HZ2 LYS 83 1HZ LYS 83 -2.979 1.809 10.210 644 HZ3 LYS 83 2HZ LYS 83 -2.858 0.348 9.507 645 HA PRO 84 HA PRO 84 -6.606 1.808 2.721 646 HB2 PRO 84 1HB PRO 84 -3.958 2.563 2.599 647 HB3 PRO 84 2HB PRO 84 -5.326 3.729 2.596 648 HG2 PRO 84 1HG PRO 84 -3.524 2.889 4.854 649 HG3 PRO 84 2HG PRO 84 -4.055 4.512 4.489 650 HD2 PRO 84 1HD PRO 84 -5.151 2.770 6.344 651 HD3 PRO 84 2HD PRO 84 -6.084 4.112 5.694 652 H ILE 85 H ILE 85 -6.043 -0.200 2.016 653 HA ILE 85 HA ILE 85 -4.078 -1.772 3.627 654 HB ILE 85 HB ILE 85 -5.100 -3.844 2.988 655 HG12 ILE 85 1HG1 ILE 85 -7.669 -3.067 1.984 656 HG13 ILE 85 2HG1 ILE 85 -6.500 -2.250 0.981 657 HG21 ILE 85 1HG2 ILE 85 -6.900 -1.961 4.361 658 HG22 ILE 85 2HG2 ILE 85 -7.070 -3.740 4.279 659 HG23 ILE 85 3HG2 ILE 85 -5.637 -3.022 5.025 660 HD11 ILE 85 3HD1 ILE 85 -5.352 -4.350 0.455 661 HD12 ILE 85 1HD1 ILE 85 -6.471 -5.232 1.515 662 HD13 ILE 85 2HD1 ILE 85 -7.076 -4.460 0.057 663 H VAL 86 H VAL 86 -2.984 -3.460 2.028 664 HA VAL 86 HA VAL 86 -2.686 -2.585 -0.746 665 HB VAL 86 HB VAL 86 -0.296 -2.465 -0.684 666 HG11 VAL 86 1HG1 VAL 86 -1.286 -0.720 1.612 667 HG12 VAL 86 2HG1 VAL 86 0.076 -0.421 0.517 668 HG13 VAL 86 3HG1 VAL 86 -1.569 -0.437 -0.124 669 HG21 VAL 86 3HG2 VAL 86 0.340 -4.044 1.062 670 HG22 VAL 86 1HG2 VAL 86 1.024 -2.464 1.428 671 HG23 VAL 86 2HG2 VAL 86 -0.385 -2.994 2.304 672 H TRP 87 H TRP 87 -0.838 -4.287 -1.654 673 HA TRP 87 HA TRP 87 -1.772 -6.979 -0.772 674 HB2 TRP 87 1HB TRP 87 -1.047 -6.115 -3.586 675 HB3 TRP 87 2HB TRP 87 -1.710 -7.665 -3.066 676 HD1 TRP 87 HD TRP 87 -2.714 -4.417 -4.415 677 HE1 TRP 87 1HE TRP 87 -5.255 -4.085 -4.358 678 HE3 TRP 87 3HE TRP 87 -3.912 -8.137 -1.106 679 HZ2 TRP 87 2HZ TRP 87 -7.532 -5.352 -3.062 680 HZ3 TRP 87 3HZ TRP 87 -6.254 -8.563 -0.508 681 HH2 TRP 87 HH TRP 87 -8.098 -7.214 -1.548 682 H HIS 88 H HIS 88 -0.152 -8.041 0.096 683 HA HIS 88 HA HIS 88 2.621 -7.724 -0.960 684 HB2 HIS 88 1HB HIS 88 3.597 -8.045 1.075 685 HB3 HIS 88 2HB HIS 88 2.320 -6.895 1.428 686 HD1 HIS 88 1HD HIS 88 3.832 -9.733 3.003 687 HD2 HIS 88 2HD HIS 88 0.004 -8.050 2.691 688 HE1 HIS 88 1HE HIS 88 2.490 -10.764 4.803 689 H ILE 89 H ILE 89 3.733 -9.592 -1.353 690 HA ILE 89 HA ILE 89 2.296 -12.180 -1.085 691 HB ILE 89 HB ILE 89 3.869 -11.068 -3.433 692 HG12 ILE 89 1HG1 ILE 89 1.188 -12.530 -3.394 693 HG13 ILE 89 2HG1 ILE 89 1.336 -10.776 -3.295 694 HG21 ILE 89 1HG2 ILE 89 4.757 -13.378 -2.869 695 HG22 ILE 89 2HG2 ILE 89 3.102 -13.998 -3.104 696 HG23 ILE 89 3HG2 ILE 89 3.997 -13.256 -4.440 697 HD11 ILE 89 3HD1 ILE 89 2.563 -10.764 -5.471 698 HD12 ILE 89 1HD1 ILE 89 2.263 -12.510 -5.616 699 HD13 ILE 89 2HD1 ILE 89 0.902 -11.381 -5.586 700 H ASN 90 H ASN 90 3.358 -12.801 0.790 701 HA ASN 90 HA ASN 90 5.129 -13.560 2.046 702 HB2 ASN 90 1HB ASN 90 6.444 -13.948 -0.676 703 HB3 ASN 90 2HB ASN 90 6.900 -14.736 0.805 704 HD21 ASN 90 1HD2 ASN 90 4.096 -14.083 -1.023 705 HD22 ASN 90 2HD2 ASN 90 3.319 -15.702 -1.018 706 H GLN 91 H GLN 91 4.889 -10.923 1.870 707 HA GLN 91 HA GLN 91 5.760 -8.924 2.392 708 HB2 GLN 91 1HB GLN 91 8.257 -10.455 3.200 709 HB3 GLN 91 2HB GLN 91 7.798 -8.821 3.675 710 HG2 GLN 91 1HG GLN 91 7.152 -10.205 5.542 711 HG3 GLN 91 2HG GLN 91 5.693 -9.759 4.671 712 HE21 GLN 91 1HE2 GLN 91 4.357 -11.358 5.033 713 HE22 GLN 91 2HE2 GLN 91 4.552 -12.903 4.221 714 H ALA 92 H ALA 92 6.222 -10.164 -0.445 715 HA ALA 92 HA ALA 92 8.265 -8.125 -1.244 716 HB1 ALA 92 1HB ALA 92 8.955 -10.446 -1.751 717 HB2 ALA 92 2HB ALA 92 7.461 -10.677 -2.690 718 HB3 ALA 92 3HB ALA 92 8.669 -9.489 -3.217 719 H THR 93 H THR 93 7.760 -6.874 -3.029 720 HA THR 93 HA THR 93 5.043 -7.051 -4.143 721 HB THR 93 HB THR 93 5.378 -4.784 -3.432 722 HG1 THR 93 1HG THR 93 5.310 -3.803 -5.488 723 HG21 THR 93 3HG2 THR 93 7.921 -4.673 -5.127 724 HG22 THR 93 1HG2 THR 93 7.127 -3.307 -4.328 725 HG23 THR 93 2HG2 THR 93 7.867 -4.585 -3.356 726 H THR 94 H THR 94 5.088 -7.345 -6.449 727 HA THR 94 HA THR 94 7.516 -8.434 -7.685 728 HB THR 94 HB THR 94 6.339 -10.544 -8.251 729 HG1 THR 94 1HG THR 94 4.339 -9.542 -6.513 730 HG21 THR 94 3HG2 THR 94 6.341 -10.242 -5.217 731 HG22 THR 94 1HG2 THR 94 6.442 -11.742 -6.154 732 HG23 THR 94 2HG2 THR 94 7.776 -10.580 -6.212 733 H LYS 95 H LYS 95 6.805 -8.924 -10.138 734 HA LYS 95 HA LYS 95 5.631 -6.558 -10.970 735 HB2 LYS 95 1HB LYS 95 6.815 -8.759 -12.317 736 HB3 LYS 95 2HB LYS 95 5.242 -8.494 -13.103 737 HG2 LYS 95 1HG LYS 95 5.774 -6.056 -13.296 738 HG3 LYS 95 2HG LYS 95 7.316 -6.348 -12.488 739 HD2 LYS 95 1HD LYS 95 7.958 -7.879 -14.369 740 HD3 LYS 95 2HD LYS 95 6.481 -7.378 -15.230 741 HE2 LYS 95 1HE LYS 95 7.201 -5.059 -15.287 742 HE3 LYS 95 2HE LYS 95 8.502 -5.381 -14.132 743 HZ1 LYS 95 3HZ LYS 95 9.532 -6.803 -15.819 744 HZ2 LYS 95 1HZ LYS 95 8.418 -6.315 -16.933 745 HZ3 LYS 95 2HZ LYS 95 9.460 -5.236 -16.264 746 H THR 96 H THR 96 3.874 -9.490 -10.100 747 HA THR 96 HA THR 96 1.356 -8.659 -11.148 748 HB THR 96 HB THR 96 2.060 -10.371 -8.719 749 HG1 THR 96 1HG THR 96 2.683 -11.679 -10.161 750 HG21 THR 96 3HG2 THR 96 -0.520 -10.167 -10.346 751 HG22 THR 96 1HG2 THR 96 -0.157 -11.420 -9.139 752 HG23 THR 96 2HG2 THR 96 -0.284 -9.731 -8.639 753 H THR 97 H THR 97 2.944 -7.986 -7.919 754 HA THR 97 HA THR 97 0.493 -6.612 -7.069 755 HB THR 97 HB THR 97 1.941 -6.537 -4.845 756 HG1 THR 97 1HG THR 97 3.344 -8.259 -4.729 757 HG21 THR 97 3HG2 THR 97 1.094 -8.770 -4.280 758 HG22 THR 97 1HG2 THR 97 -0.116 -7.819 -5.157 759 HG23 THR 97 2HG2 THR 97 0.786 -9.098 -5.999 760 H PHE 98 H PHE 98 3.399 -5.791 -8.534 761 HA PHE 98 HA PHE 98 4.062 -3.276 -7.458 762 HB2 PHE 98 1HB PHE 98 5.704 -4.150 -8.758 763 HB3 PHE 98 2HB PHE 98 4.591 -4.879 -9.898 764 HD1 PHE 98 1HD PHE 98 6.027 -1.549 -8.958 765 HD2 PHE 98 2HD PHE 98 4.214 -4.017 -11.982 766 HE1 PHE 98 1HE PHE 98 6.676 0.111 -10.687 767 HE2 PHE 98 2HE PHE 98 4.836 -2.344 -13.726 768 HZ PHE 98 HZ PHE 98 6.110 -0.308 -13.086 769 H LYS 99 H LYS 99 2.161 -3.918 -10.471 770 HA LYS 99 HA LYS 99 1.403 -1.255 -10.902 771 HB2 LYS 99 1HB LYS 99 0.108 -3.861 -11.582 772 HB3 LYS 99 2HB LYS 99 -0.744 -2.355 -11.943 773 HG2 LYS 99 1HG LYS 99 1.205 -1.531 -13.245 774 HG3 LYS 99 2HG LYS 99 1.959 -3.126 -13.077 775 HD2 LYS 99 1HD LYS 99 -0.187 -4.098 -14.081 776 HD3 LYS 99 2HD LYS 99 -0.712 -2.455 -14.429 777 HE2 LYS 99 1HE LYS 99 1.894 -3.684 -15.438 778 HE3 LYS 99 2HE LYS 99 0.370 -3.807 -16.315 779 HZ1 LYS 99 3HZ LYS 99 1.752 -1.274 -15.678 780 HZ2 LYS 99 1HZ LYS 99 1.654 -1.992 -17.155 781 HZ3 LYS 99 2HZ LYS 99 0.310 -1.381 -16.430 782 HA PRO 100 HA PRO 100 -2.538 -1.648 -8.281 783 HB2 PRO 100 1HB PRO 100 -2.881 -3.527 -6.378 784 HB3 PRO 100 2HB PRO 100 -3.363 -3.749 -8.079 785 HG2 PRO 100 1HG PRO 100 -0.862 -4.719 -6.718 786 HG3 PRO 100 2HG PRO 100 -1.929 -5.633 -7.805 787 HD2 PRO 100 1HD PRO 100 0.348 -4.518 -8.775 788 HD3 PRO 100 2HD PRO 100 -1.150 -4.527 -9.728 789 H ASN 101 H ASN 101 0.686 -2.430 -6.801 790 HA ASN 101 HA ASN 101 0.153 -1.167 -4.280 791 HB2 ASN 101 1HB ASN 101 2.579 -2.124 -5.861 792 HB3 ASN 101 2HB ASN 101 2.794 -0.936 -4.637 793 HD21 ASN 101 1HD2 ASN 101 0.919 -3.890 -4.765 794 HD22 ASN 101 2HD2 ASN 101 1.419 -4.562 -3.206 795 H THR 102 H THR 102 1.214 0.085 -7.522 796 HA THR 102 HA THR 102 1.982 2.623 -6.673 797 HB THR 102 HB THR 102 1.631 3.492 -8.738 798 HG1 THR 102 1HG THR 102 0.223 1.878 -10.217 799 HG21 THR 102 3HG2 THR 102 2.024 0.551 -9.310 800 HG22 THR 102 1HG2 THR 102 2.246 1.870 -10.462 801 HG23 THR 102 2HG2 THR 102 3.262 1.823 -9.032 802 H TRP 103 H TRP 103 -1.356 1.468 -7.175 803 HA TRP 103 HA TRP 103 -2.608 4.030 -6.972 804 HB2 TRP 103 1HB TRP 103 -3.595 1.174 -6.473 805 HB3 TRP 103 2HB TRP 103 -4.630 2.567 -6.423 806 HD1 TRP 103 HD TRP 103 -2.841 0.343 -8.915 807 HE1 TRP 103 1HE TRP 103 -4.067 0.511 -11.136 808 HE3 TRP 103 3HE TRP 103 -5.609 4.417 -7.890 809 HZ2 TRP 103 2HZ TRP 103 -6.318 2.159 -12.225 810 HZ3 TRP 103 3HZ TRP 103 -7.264 5.347 -9.522 811 HH2 TRP 103 HH TRP 103 -7.630 4.180 -11.675 812 H CYS 104 H CYS 104 -1.239 1.871 -4.515 813 HA CYS 104 HA CYS 104 -2.739 2.984 -2.299 814 HB2 CYS 104 1HB CYS 104 -1.531 0.817 -2.185 815 HB3 CYS 104 2HB CYS 104 0.001 1.702 -2.245 816 HG CYS 104 HG CYS 104 -2.527 2.326 -0.211 817 H LEU 105 H LEU 105 0.486 3.482 -3.797 818 HA LEU 105 HA LEU 105 1.364 5.539 -2.037 819 HB2 LEU 105 1HB LEU 105 2.009 5.179 -5.004 820 HB3 LEU 105 2HB LEU 105 2.936 6.142 -3.867 821 HG LEU 105 HG LEU 105 2.508 3.131 -3.572 822 HD11 LEU 105 1HD1 LEU 105 4.624 2.718 -4.513 823 HD12 LEU 105 2HD1 LEU 105 3.747 3.732 -5.686 824 HD13 LEU 105 3HD1 LEU 105 5.008 4.430 -4.653 825 HD21 LEU 105 3HD2 LEU 105 4.497 3.317 -2.081 826 HD22 LEU 105 1HD2 LEU 105 4.459 5.076 -2.257 827 HD23 LEU 105 2HD2 LEU 105 3.114 4.228 -1.467 828 H ARG 106 H ARG 106 -0.663 5.487 -4.890 829 HA ARG 106 HA ARG 106 -0.881 8.357 -5.194 830 HB2 ARG 106 1HB ARG 106 -2.706 6.099 -6.143 831 HB3 ARG 106 2HB ARG 106 -2.929 7.807 -6.554 832 HG2 ARG 106 1HG ARG 106 -0.690 7.916 -7.450 833 HG3 ARG 106 2HG ARG 106 -0.432 6.192 -7.240 834 HD2 ARG 106 1HD ARG 106 -2.859 7.161 -8.785 835 HD3 ARG 106 2HD ARG 106 -1.256 7.297 -9.490 836 HE ARG 106 HE ARG 106 -1.371 4.678 -8.694 837 HH11 ARG 106 2HH2 ARG 106 -2.806 6.949 -11.031 838 HH12 ARG 106 1HH2 ARG 106 -3.259 5.784 -12.187 839 HH21 ARG 106 2HH1 ARG 106 -1.682 3.098 -10.330 840 HH22 ARG 106 1HH1 ARG 106 -2.403 3.520 -11.862 841 H CYS 107 H CYS 107 -2.420 6.242 -2.902 842 HA CYS 107 HA CYS 107 -4.589 8.159 -2.332 843 HB2 CYS 107 1HB CYS 107 -4.880 5.604 -2.412 844 HB3 CYS 107 2HB CYS 107 -3.864 5.532 -0.958 845 HG CYS 107 HG CYS 107 -6.754 7.169 -1.364 846 H LEU 108 H LEU 108 -1.400 7.146 -1.227 847 HA LEU 108 HA LEU 108 -1.486 8.614 1.324 848 HB2 LEU 108 1HB LEU 108 0.831 7.374 -0.185 849 HB3 LEU 108 2HB LEU 108 0.861 7.988 1.467 850 HG LEU 108 HG LEU 108 -0.779 5.612 0.482 851 HD11 LEU 108 1HD1 LEU 108 1.693 5.669 2.237 852 HD12 LEU 108 2HD1 LEU 108 0.791 4.232 1.702 853 HD13 LEU 108 3HD1 LEU 108 1.658 5.218 0.516 854 HD21 LEU 108 3HD2 LEU 108 -1.898 6.753 2.387 855 HD22 LEU 108 1HD2 LEU 108 -1.310 5.156 2.794 856 HD23 LEU 108 2HD2 LEU 108 -0.403 6.588 3.336 857 H TRP 109 H TRP 109 -0.922 9.443 -2.032 858 HA TRP 109 HA TRP 109 0.791 11.665 -1.740 859 HB2 TRP 109 1HB TRP 109 -1.419 10.925 -3.688 860 HB3 TRP 109 2HB TRP 109 -0.504 12.338 -3.831 861 HD1 TRP 109 HD TRP 109 1.961 9.800 -2.849 862 HE1 TRP 109 1HE TRP 109 3.217 8.906 -4.921 863 HE3 TRP 109 3HE TRP 109 -1.292 11.361 -6.404 864 HZ2 TRP 109 2HZ TRP 109 2.762 8.819 -7.798 865 HZ3 TRP 109 3HZ TRP 109 -0.955 10.772 -8.763 866 HH2 TRP 109 HH TRP 109 1.068 9.531 -9.490 867 H SER 110 H SER 110 0.051 13.929 -2.063 868 HA SER 110 HA SER 110 -1.975 14.590 0.002 869 HB2 SER 110 1HB SER 110 0.425 14.298 0.784 870 HB3 SER 110 2HB SER 110 0.884 15.605 -0.320 871 HG SER 110 HG SER 110 0.493 16.205 1.914 872 H THR 111 H THR 111 -3.254 16.347 -0.625 873 HA THR 111 HA THR 111 -3.099 17.299 -3.329 874 HB THR 111 HB THR 111 -5.040 18.736 -2.363 875 HG1 THR 111 1HG THR 111 -5.781 17.781 -0.314 876 HG21 THR 111 3HG2 THR 111 -6.561 16.828 -2.272 877 HG22 THR 111 1HG2 THR 111 -5.372 16.565 -3.561 878 HG23 THR 111 2HG2 THR 111 -5.207 15.708 -2.018 879 H LYS 112 H LYS 112 -2.227 19.238 -4.114 880 HA LYS 112 HA LYS 112 -1.120 21.164 -2.204 881 HB2 LYS 112 1HB LYS 112 0.604 19.595 -2.445 882 HB3 LYS 112 2HB LYS 112 0.490 19.593 -4.206 883 HG2 LYS 112 1HG LYS 112 2.423 20.836 -3.482 884 HG3 LYS 112 2HG LYS 112 1.274 21.947 -4.243 885 HD2 LYS 112 1HD LYS 112 0.550 22.746 -2.018 886 HD3 LYS 112 2HD LYS 112 1.611 21.576 -1.226 887 HE2 LYS 112 1HE LYS 112 2.517 23.856 -3.050 888 HE3 LYS 112 2HE LYS 112 2.517 23.910 -1.289 889 HZ1 LYS 112 3HZ LYS 112 4.071 21.953 -1.373 890 HZ2 LYS 112 1HZ LYS 112 4.132 22.169 -3.011 891 HZ3 LYS 112 2HZ LYS 112 4.671 23.347 -2.030 892 HA PRO 113 HA PRO 113 -3.080 23.317 -5.767 893 HB2 PRO 113 1HB PRO 113 -3.428 25.712 -4.502 894 HB3 PRO 113 2HB PRO 113 -4.523 24.317 -4.285 895 HG2 PRO 113 1HG PRO 113 -2.243 25.221 -2.511 896 HG3 PRO 113 2HG PRO 113 -3.895 24.703 -2.028 897 HD2 PRO 113 1HD PRO 113 -1.706 23.064 -1.947 898 HD3 PRO 113 2HD PRO 113 -3.346 22.436 -2.289 899 H VAL 114 H VAL 114 -2.366 25.404 -6.935 900 HA VAL 114 HA VAL 114 0.519 25.844 -6.770 901 HB VAL 114 HB VAL 114 0.188 27.146 -8.834 902 HG11 VAL 114 1HG1 VAL 114 0.881 24.782 -8.888 903 HG12 VAL 114 2HG1 VAL 114 -0.818 24.276 -8.974 904 HG13 VAL 114 3HG1 VAL 114 -0.100 25.200 -10.301 905 HG21 VAL 114 3HG2 VAL 114 -2.331 27.619 -8.533 906 HG22 VAL 114 1HG2 VAL 114 -1.765 27.159 -10.146 907 HG23 VAL 114 2HG2 VAL 114 -2.571 25.963 -9.137 908 H ASP 115 H ASP 115 -0.298 26.396 -4.629 909 HA ASP 115 HA ASP 115 -0.489 27.783 -2.920 910 HB2 ASP 115 1HB ASP 115 1.192 29.185 -4.760 911 HB3 ASP 115 2HB ASP 115 0.140 30.365 -4.015 912 H THR 116 H THR 116 -2.678 27.712 -5.242 913 HA THR 116 HA THR 116 -4.553 29.042 -3.495 914 HB THR 116 HB THR 116 -3.507 30.779 -5.085 915 HG1 THR 116 1HG THR 116 -5.522 31.840 -5.152 916 HG21 THR 116 3HG2 THR 116 -3.948 29.392 -7.116 917 HG22 THR 116 1HG2 THR 116 -5.677 29.768 -6.888 918 HG23 THR 116 2HG2 THR 116 -4.498 31.073 -7.190 Start of MODEL 17 1 H1 MET 1 H MET 1 -22.117 -20.347 4.226 2 HA MET 1 HA MET 1 -22.060 -22.525 6.237 3 HB2 MET 1 1HB MET 1 -22.601 -22.749 3.239 4 HB3 MET 1 2HB MET 1 -22.230 -24.096 4.301 5 HG2 MET 1 1HG MET 1 -24.204 -23.565 5.686 6 HG3 MET 1 2HG MET 1 -24.651 -22.279 4.556 7 HE1 MET 1 3HE MET 1 -24.261 -23.336 1.665 8 HE2 MET 1 1HE MET 1 -25.756 -24.242 1.361 9 HE3 MET 1 2HE MET 1 -25.825 -22.688 2.218 10 H TYR 2 H TYR 2 -20.559 -21.500 3.098 11 HA TYR 2 HA TYR 2 -17.996 -21.488 4.492 12 HB2 TYR 2 1HB TYR 2 -18.399 -23.703 3.108 13 HB3 TYR 2 2HB TYR 2 -18.060 -22.659 1.740 14 HD1 TYR 2 1HD TYR 2 -15.854 -20.878 2.791 15 HD2 TYR 2 2HD TYR 2 -16.583 -25.103 3.425 16 HE1 TYR 2 1HE TYR 2 -13.507 -21.185 3.252 17 HE2 TYR 2 2HE TYR 2 -14.182 -25.450 3.797 18 HH TYR 2 HH TYR 2 -11.789 -22.804 3.617 19 H THR 3 H THR 3 -19.033 -19.374 4.471 20 HA THR 3 HA THR 3 -18.824 -17.814 1.955 21 HB THR 3 HB THR 3 -19.899 -16.103 3.761 22 HG1 THR 3 1HG THR 3 -20.363 -17.400 5.415 23 HG21 THR 3 3HG2 THR 3 -20.779 -16.607 1.500 24 HG22 THR 3 1HG2 THR 3 -21.506 -18.087 2.120 25 HG23 THR 3 2HG2 THR 3 -22.076 -16.522 2.710 26 H GLU 4 H GLU 4 -16.645 -17.736 1.916 27 HA GLU 4 HA GLU 4 -15.080 -17.023 4.276 28 HB2 GLU 4 1HB GLU 4 -14.373 -18.711 2.633 29 HB3 GLU 4 2HB GLU 4 -14.235 -17.484 1.382 30 HG2 GLU 4 1HG GLU 4 -12.222 -16.742 2.181 31 HG3 GLU 4 2HG GLU 4 -12.766 -16.774 3.868 32 H GLN 5 H GLN 5 -15.889 -14.839 4.721 33 HA GLN 5 HA GLN 5 -16.311 -13.007 2.451 34 HB2 GLN 5 1HB GLN 5 -17.733 -11.783 3.990 35 HB3 GLN 5 2HB GLN 5 -18.134 -13.490 3.990 36 HG2 GLN 5 1HG GLN 5 -16.294 -13.272 6.110 37 HG3 GLN 5 2HG GLN 5 -17.117 -11.736 6.150 38 HE21 GLN 5 1HE2 GLN 5 -17.998 -12.246 8.189 39 HE22 GLN 5 2HE2 GLN 5 -19.387 -13.265 8.350 40 HA PRO 6 HA PRO 6 -12.723 -10.858 3.272 41 HB2 PRO 6 1HB PRO 6 -13.022 -8.473 2.023 42 HB3 PRO 6 2HB PRO 6 -13.182 -10.018 1.127 43 HG2 PRO 6 1HG PRO 6 -15.355 -8.257 2.239 44 HG3 PRO 6 2HG PRO 6 -15.272 -9.003 0.613 45 HD2 PRO 6 1HD PRO 6 -16.668 -10.129 2.739 46 HD3 PRO 6 2HD PRO 6 -15.962 -11.092 1.417 47 H ILE 7 H ILE 7 -11.636 -9.278 4.514 48 HA ILE 7 HA ILE 7 -12.965 -9.047 7.014 49 HB ILE 7 HB ILE 7 -10.128 -8.262 6.302 50 HG12 ILE 7 1HG1 ILE 7 -11.063 -10.896 7.499 51 HG13 ILE 7 2HG1 ILE 7 -10.817 -10.705 5.771 52 HG21 ILE 7 1HG2 ILE 7 -10.294 -7.411 8.408 53 HG22 ILE 7 2HG2 ILE 7 -11.734 -8.337 8.811 54 HG23 ILE 7 3HG2 ILE 7 -10.122 -9.088 8.953 55 HD11 ILE 7 3HD1 ILE 7 -8.458 -10.091 6.107 56 HD12 ILE 7 1HD1 ILE 7 -8.636 -10.313 7.854 57 HD13 ILE 7 2HD1 ILE 7 -8.844 -11.695 6.767 58 H ASP 8 H ASP 8 -14.535 -7.427 6.009 59 HA ASP 8 HA ASP 8 -15.302 -5.420 5.609 60 HB2 ASP 8 1HB ASP 8 -14.493 -5.197 8.192 61 HB3 ASP 8 2HB ASP 8 -13.683 -3.809 7.491 62 H LEU 9 H LEU 9 -13.171 -6.405 4.066 63 HA LEU 9 HA LEU 9 -11.588 -4.099 3.228 64 HB2 LEU 9 1HB LEU 9 -11.070 -6.766 3.176 65 HB3 LEU 9 2HB LEU 9 -11.795 -6.595 1.580 66 HG LEU 9 HG LEU 9 -9.327 -5.150 2.680 67 HD11 LEU 9 1HD1 LEU 9 -9.148 -7.505 1.983 68 HD12 LEU 9 2HD1 LEU 9 -9.839 -7.068 0.397 69 HD13 LEU 9 3HD1 LEU 9 -8.239 -6.432 0.887 70 HD21 LEU 9 3HD2 LEU 9 -9.000 -4.346 0.314 71 HD22 LEU 9 1HD2 LEU 9 -10.669 -4.826 -0.036 72 HD23 LEU 9 2HD2 LEU 9 -10.325 -3.553 1.141 73 H VAL 10 H VAL 10 -12.083 -2.862 1.611 74 HA VAL 10 HA VAL 10 -14.454 -3.352 -0.079 75 HB VAL 10 HB VAL 10 -14.995 -0.764 0.640 76 HG11 VAL 10 1HG1 VAL 10 -16.635 -2.531 0.330 77 HG12 VAL 10 2HG1 VAL 10 -16.124 -3.312 1.850 78 HG13 VAL 10 3HG1 VAL 10 -16.918 -1.722 1.875 79 HG21 VAL 10 3HG2 VAL 10 -14.503 -2.162 3.288 80 HG22 VAL 10 1HG2 VAL 10 -13.391 -0.962 2.632 81 HG23 VAL 10 2HG2 VAL 10 -15.065 -0.510 3.013 82 HA PRO 11 HA PRO 11 -11.661 -1.170 -2.774 83 HB2 PRO 11 1HB PRO 11 -13.053 -1.170 -5.052 84 HB3 PRO 11 2HB PRO 11 -12.431 -2.678 -4.331 85 HG2 PRO 11 1HG PRO 11 -15.248 -1.696 -4.232 86 HG3 PRO 11 2HG PRO 11 -14.631 -3.366 -4.449 87 HD2 PRO 11 1HD PRO 11 -15.490 -2.220 -2.029 88 HD3 PRO 11 2HD PRO 11 -14.448 -3.659 -2.167 89 H THR 12 H THR 12 -11.361 0.977 -3.465 90 HA THR 12 HA THR 12 -13.583 2.883 -3.201 91 HB THR 12 HB THR 12 -12.715 2.789 -0.940 92 HG1 THR 12 1HG THR 12 -13.097 4.919 -1.476 93 HG21 THR 12 3HG2 THR 12 -10.557 1.786 -1.265 94 HG22 THR 12 1HG2 THR 12 -9.981 3.183 -2.188 95 HG23 THR 12 2HG2 THR 12 -10.346 3.324 -0.446 96 H GLN 13 H GLN 13 -11.657 5.086 -3.429 97 HA GLN 13 HA GLN 13 -10.713 4.716 -6.227 98 HB2 GLN 13 1HB GLN 13 -11.550 6.961 -6.729 99 HB3 GLN 13 2HB GLN 13 -12.825 5.961 -6.111 100 HG2 GLN 13 1HG GLN 13 -11.793 7.245 -3.803 101 HG3 GLN 13 2HG GLN 13 -11.639 8.455 -5.071 102 HE21 GLN 13 1HE2 GLN 13 -13.371 8.536 -2.653 103 HE22 GLN 13 2HE2 GLN 13 -15.018 8.577 -3.273 104 HA PRO 14 HA PRO 14 -6.979 6.788 -4.647 105 HB2 PRO 14 1HB PRO 14 -5.987 8.036 -6.856 106 HB3 PRO 14 2HB PRO 14 -6.001 6.259 -6.744 107 HG2 PRO 14 1HG PRO 14 -8.039 8.070 -8.095 108 HG3 PRO 14 2HG PRO 14 -7.234 6.632 -8.783 109 HD2 PRO 14 1HD PRO 14 -9.733 6.504 -7.664 110 HD3 PRO 14 2HD PRO 14 -8.580 5.158 -7.497 111 H LEU 15 H LEU 15 -6.008 9.156 -4.670 112 HA LEU 15 HA LEU 15 -8.067 11.170 -4.252 113 HB2 LEU 15 1HB LEU 15 -5.028 10.938 -4.134 114 HB3 LEU 15 2HB LEU 15 -5.768 12.502 -4.138 115 HG LEU 15 HG LEU 15 -5.968 10.387 -1.982 116 HD11 LEU 15 1HD1 LEU 15 -5.341 13.390 -1.997 117 HD12 LEU 15 2HD1 LEU 15 -5.061 12.236 -0.651 118 HD13 LEU 15 3HD1 LEU 15 -4.103 12.100 -2.151 119 HD21 LEU 15 3HD2 LEU 15 -8.294 11.272 -2.148 120 HD22 LEU 15 1HD2 LEU 15 -7.491 11.906 -0.743 121 HD23 LEU 15 2HD2 LEU 15 -7.673 12.915 -2.172 122 HA PRO 16 HA PRO 16 -8.033 12.952 -8.252 123 HB2 PRO 16 1HB PRO 16 -8.566 15.583 -7.771 124 HB3 PRO 16 2HB PRO 16 -9.682 14.290 -7.292 125 HG2 PRO 16 1HG PRO 16 -7.819 15.813 -5.566 126 HG3 PRO 16 2HG PRO 16 -9.438 15.125 -5.189 127 HD2 PRO 16 1HD PRO 16 -6.888 14.019 -4.680 128 HD3 PRO 16 2HD PRO 16 -8.452 13.237 -4.366 129 H ASN 17 H ASN 17 -7.011 15.702 -8.526 130 HA ASN 17 HA ASN 17 -4.396 15.657 -9.624 131 HB2 ASN 17 1HB ASN 17 -4.654 18.161 -9.208 132 HB3 ASN 17 2HB ASN 17 -5.942 17.407 -10.147 133 HD21 ASN 17 1HD2 ASN 17 -5.140 18.738 -6.921 134 HD22 ASN 17 2HD2 ASN 17 -6.808 18.764 -6.366 135 H ALA 18 H ALA 18 -4.312 14.245 -7.177 136 HA ALA 18 HA ALA 18 -2.571 15.635 -5.274 137 HB1 ALA 18 1HB ALA 18 -4.139 13.769 -4.678 138 HB2 ALA 18 2HB ALA 18 -3.228 12.684 -5.732 139 HB3 ALA 18 3HB ALA 18 -2.469 13.406 -4.282 140 H SER 19 H SER 19 -0.391 14.385 -4.931 141 HA SER 19 HA SER 19 0.893 13.185 -7.166 142 HB2 SER 19 1HB SER 19 1.863 15.967 -6.358 143 HB3 SER 19 2HB SER 19 2.813 14.790 -7.263 144 HG SER 19 HG SER 19 1.986 15.797 -8.915 145 H PHE 20 H PHE 20 2.807 12.138 -6.302 146 HA PHE 20 HA PHE 20 3.058 11.788 -3.567 147 HB2 PHE 20 1HB PHE 20 4.046 10.274 -5.339 148 HB3 PHE 20 2HB PHE 20 5.137 11.572 -5.797 149 HD1 PHE 20 2HD PHE 20 4.105 9.898 -2.562 150 HD2 PHE 20 1HD PHE 20 7.319 11.284 -5.090 151 HE1 PHE 20 2HE PHE 20 5.781 9.144 -0.875 152 HE2 PHE 20 1HE PHE 20 8.951 10.597 -3.404 153 HZ PHE 20 HZ PHE 20 8.189 9.513 -1.284 154 H ASP 21 H ASP 21 4.809 12.516 -2.163 155 HA ASP 21 HA ASP 21 6.178 14.906 -2.818 156 HB2 ASP 21 1HB ASP 21 3.788 15.614 -2.038 157 HB3 ASP 21 2HB ASP 21 4.269 15.031 -0.437 158 H ASN 22 H ASN 22 7.317 15.419 -0.434 159 HA ASN 22 HA ASN 22 9.167 13.339 -0.370 160 HB2 ASN 22 1HB ASN 22 8.763 15.967 0.993 161 HB3 ASN 22 2HB ASN 22 9.814 14.877 1.848 162 HD21 ASN 22 1HD2 ASN 22 11.635 13.766 0.601 163 HD22 ASN 22 2HD2 ASN 22 12.460 14.840 -0.443 164 H PHE 23 H PHE 23 6.388 12.548 1.010 165 HA PHE 23 HA PHE 23 7.329 11.741 3.671 166 HB2 PHE 23 1HB PHE 23 5.303 10.624 3.992 167 HB3 PHE 23 2HB PHE 23 4.903 12.145 3.220 168 HD1 PHE 23 2HD PHE 23 3.997 12.187 0.911 169 HD2 PHE 23 1HD PHE 23 4.887 8.465 2.920 170 HE1 PHE 23 2HE PHE 23 2.475 10.999 -0.607 171 HE2 PHE 23 1HE PHE 23 3.352 7.277 1.394 172 HZ PHE 23 HZ PHE 23 2.095 8.543 -0.342 173 H LYS 24 H LYS 24 7.605 9.523 4.266 174 HA LYS 24 HA LYS 24 8.476 7.690 2.074 175 HB2 LYS 24 1HB LYS 24 10.342 8.573 3.448 176 HB3 LYS 24 2HB LYS 24 9.588 7.957 4.913 177 HG2 LYS 24 1HG LYS 24 9.778 5.634 3.826 178 HG3 LYS 24 2HG LYS 24 10.672 6.445 2.535 179 HD2 LYS 24 1HD LYS 24 12.357 7.121 4.358 180 HD3 LYS 24 2HD LYS 24 11.434 6.035 5.449 181 HE2 LYS 24 1HE LYS 24 11.511 4.347 3.440 182 HE3 LYS 24 2HE LYS 24 12.784 5.384 2.804 183 HZ1 LYS 24 3HZ LYS 24 13.804 3.664 3.917 184 HZ2 LYS 24 1HZ LYS 24 13.907 4.907 5.023 185 HZ3 LYS 24 2HZ LYS 24 12.799 3.669 5.187 186 H LEU 25 H LEU 25 8.105 5.488 2.610 187 HA LEU 25 HA LEU 25 6.285 4.975 4.916 188 HB2 LEU 25 1HB LEU 25 5.373 2.999 3.432 189 HB3 LEU 25 2HB LEU 25 4.651 4.597 3.500 190 HG LEU 25 HG LEU 25 5.747 5.242 1.372 191 HD11 LEU 25 1HD1 LEU 25 7.624 3.638 1.312 192 HD12 LEU 25 2HD1 LEU 25 6.503 2.278 1.201 193 HD13 LEU 25 3HD1 LEU 25 6.631 3.485 -0.114 194 HD21 LEU 25 3HD2 LEU 25 3.442 4.384 1.448 195 HD22 LEU 25 1HD2 LEU 25 4.278 3.967 -0.047 196 HD23 LEU 25 2HD2 LEU 25 4.063 2.728 1.207 197 H THR 26 H THR 26 7.283 3.744 6.334 198 HA THR 26 HA THR 26 9.506 1.996 5.481 199 HB THR 26 HB THR 26 10.002 1.733 7.779 200 HG1 THR 26 1HG THR 26 7.715 3.290 8.406 201 HG21 THR 26 3HG2 THR 26 9.362 4.707 7.540 202 HG22 THR 26 1HG2 THR 26 10.580 3.934 8.572 203 HG23 THR 26 2HG2 THR 26 10.779 3.928 6.811 204 H CYS 27 H CYS 27 9.194 -0.306 6.664 205 HA CYS 27 HA CYS 27 6.518 -1.223 7.188 206 HB2 CYS 27 1HB CYS 27 8.096 -2.185 4.831 207 HB3 CYS 27 2HB CYS 27 6.696 -2.980 5.319 208 HG CYS 27 HG CYS 27 6.596 0.185 4.430 209 H SER 28 H SER 28 6.815 -3.543 8.051 210 HA SER 28 HA SER 28 9.253 -3.926 9.455 211 HB2 SER 28 1HB SER 28 7.309 -6.120 8.823 212 HB3 SER 28 2HB SER 28 8.292 -5.905 10.270 213 HG SER 28 HG SER 28 6.308 -5.309 10.852 214 H ASN 29 H ASN 29 8.245 -4.951 6.276 215 HA ASN 29 HA ASN 29 10.705 -6.604 5.974 216 HB2 ASN 29 1HB ASN 29 8.662 -7.611 5.062 217 HB3 ASN 29 2HB ASN 29 8.436 -6.205 4.006 218 HD21 ASN 29 1HD2 ASN 29 10.470 -8.986 4.716 219 HD22 ASN 29 2HD2 ASN 29 11.342 -9.025 3.228 220 H THR 30 H THR 30 12.411 -5.602 5.344 221 HA THR 30 HA THR 30 12.797 -2.936 4.727 222 HB THR 30 HB THR 30 15.052 -3.966 3.951 223 HG1 THR 30 1HG THR 30 15.220 -6.175 4.507 224 HG21 THR 30 3HG2 THR 30 15.562 -4.752 6.306 225 HG22 THR 30 1HG2 THR 30 14.716 -3.217 6.238 226 HG23 THR 30 2HG2 THR 30 13.844 -4.692 6.683 227 H LYS 31 H LYS 31 13.161 -5.639 2.409 228 HA LYS 31 HA LYS 31 13.286 -4.025 0.128 229 HB2 LYS 31 1HB LYS 31 13.849 -6.395 -0.010 230 HB3 LYS 31 2HB LYS 31 12.182 -6.851 0.325 231 HG2 LYS 31 1HG LYS 31 12.521 -7.139 -2.035 232 HG3 LYS 31 2HG LYS 31 11.457 -5.776 -1.843 233 HD2 LYS 31 1HD LYS 31 12.970 -5.064 -3.492 234 HD3 LYS 31 2HD LYS 31 13.644 -4.310 -2.039 235 HE2 LYS 31 1HE LYS 31 15.020 -6.544 -1.827 236 HE3 LYS 31 2HE LYS 31 14.509 -6.845 -3.491 237 HZ1 LYS 31 3HZ LYS 31 16.575 -5.845 -3.600 238 HZ2 LYS 31 1HZ LYS 31 15.568 -4.615 -3.991 239 HZ3 LYS 31 2HZ LYS 31 16.213 -4.654 -2.499 240 H PHE 32 H PHE 32 10.297 -5.320 1.693 241 HA PHE 32 HA PHE 32 8.520 -4.562 -0.332 242 HB2 PHE 32 1HB PHE 32 8.118 -5.850 1.838 243 HB3 PHE 32 2HB PHE 32 8.019 -4.268 2.639 244 HD1 PHE 32 2HD PHE 32 6.695 -5.931 -0.451 245 HD2 PHE 32 1HD PHE 32 5.732 -3.659 3.080 246 HE1 PHE 32 2HE PHE 32 4.317 -5.972 -1.079 247 HE2 PHE 32 1HE PHE 32 3.356 -3.670 2.432 248 HZ PHE 32 HZ PHE 32 2.622 -4.803 0.349 249 H ALA 33 H ALA 33 9.533 -2.585 2.488 250 HA ALA 33 HA ALA 33 8.185 -0.179 1.709 251 HB1 ALA 33 1HB ALA 33 8.986 -0.640 3.983 252 HB2 ALA 33 2HB ALA 33 10.668 -0.669 3.433 253 HB3 ALA 33 3HB ALA 33 9.744 0.845 3.366 254 H ASP 34 H ASP 34 11.325 -1.521 0.971 255 HA ASP 34 HA ASP 34 12.441 0.987 -0.041 256 HB2 ASP 34 1HB ASP 34 13.638 -0.955 1.181 257 HB3 ASP 34 2HB ASP 34 13.665 -1.774 -0.385 258 H ASP 35 H ASP 35 10.871 -1.812 -1.487 259 HA ASP 35 HA ASP 35 11.434 -0.963 -4.230 260 HB2 ASP 35 1HB ASP 35 10.203 -3.333 -3.044 261 HB3 ASP 35 2HB ASP 35 9.224 -2.635 -4.319 262 H LEU 36 H LEU 36 8.831 -0.616 -1.885 263 HA LEU 36 HA LEU 36 7.038 0.731 -3.670 264 HB2 LEU 36 1HB LEU 36 7.376 0.715 -0.647 265 HB3 LEU 36 2HB LEU 36 6.122 1.672 -1.431 266 HG LEU 36 HG LEU 36 6.366 -1.310 -1.950 267 HD11 LEU 36 1HD1 LEU 36 6.142 -0.855 0.506 268 HD12 LEU 36 2HD1 LEU 36 4.661 0.053 0.181 269 HD13 LEU 36 3HD1 LEU 36 4.759 -1.694 -0.165 270 HD21 LEU 36 3HD2 LEU 36 4.080 0.693 -2.245 271 HD22 LEU 36 1HD2 LEU 36 5.066 0.046 -3.576 272 HD23 LEU 36 2HD2 LEU 36 4.020 -1.023 -2.673 273 H ASN 37 H ASN 37 9.506 1.985 -1.313 274 HA ASN 37 HA ASN 37 8.985 4.727 -1.953 275 HB2 ASN 37 1HB ASN 37 11.297 3.184 -0.685 276 HB3 ASN 37 2HB ASN 37 11.478 4.841 -1.049 277 HD21 ASN 37 1HD2 ASN 37 10.637 2.703 1.215 278 HD22 ASN 37 2HD2 ASN 37 9.617 3.604 2.273 279 H GLN 38 H GLN 38 10.783 2.187 -3.679 280 HA GLN 38 HA GLN 38 12.297 3.991 -5.341 281 HB2 GLN 38 1HB GLN 38 11.886 1.089 -4.920 282 HB3 GLN 38 2HB GLN 38 12.061 1.502 -6.591 283 HG2 GLN 38 1HG GLN 38 14.037 2.703 -4.657 284 HG3 GLN 38 2HG GLN 38 14.108 0.980 -4.899 285 HE21 GLN 38 1HE2 GLN 38 14.027 4.024 -6.908 286 HE22 GLN 38 2HE2 GLN 38 15.051 3.335 -8.142 287 H MET 39 H MET 39 8.952 2.577 -5.393 288 HA MET 39 HA MET 39 8.577 3.173 -8.172 289 HB2 MET 39 1HB MET 39 6.676 2.560 -5.884 290 HB3 MET 39 2HB MET 39 6.175 2.797 -7.559 291 HG2 MET 39 1HG MET 39 7.249 0.855 -8.312 292 HG3 MET 39 2HG MET 39 8.305 0.760 -6.919 293 HE1 MET 39 3HE MET 39 3.776 -0.039 -6.500 294 HE2 MET 39 1HE MET 39 4.577 1.551 -6.439 295 HE3 MET 39 2HE MET 39 4.542 0.661 -7.959 296 H THR 40 H THR 40 7.718 4.864 -5.038 297 HA THR 40 HA THR 40 6.327 6.969 -6.336 298 HB THR 40 HB THR 40 6.691 8.143 -4.168 299 HG1 THR 40 1HG THR 40 7.931 7.329 -2.660 300 HG21 THR 40 3HG2 THR 40 5.886 5.245 -3.750 301 HG22 THR 40 1HG2 THR 40 5.408 6.649 -2.776 302 HG23 THR 40 2HG2 THR 40 4.825 6.509 -4.444 303 H GLY 41 H GLY 41 9.757 6.559 -5.548 304 HA2 GLY 41 1HA GLY 41 11.563 7.797 -6.541 305 HA3 GLY 41 2HA GLY 41 10.439 9.110 -6.934 306 H PHE 42 H PHE 42 10.594 7.360 -3.808 307 HA PHE 42 HA PHE 42 10.523 9.769 -2.272 308 HB2 PHE 42 1HB PHE 42 9.689 7.780 -1.256 309 HB3 PHE 42 2HB PHE 42 11.140 6.883 -1.689 310 HD1 PHE 42 2HD PHE 42 10.339 10.051 0.256 311 HD2 PHE 42 1HD PHE 42 12.627 6.400 0.011 312 HE1 PHE 42 2HE PHE 42 11.723 10.785 2.096 313 HE2 PHE 42 1HE PHE 42 13.862 7.035 2.030 314 HZ PHE 42 HZ PHE 42 13.455 9.252 3.086 315 H THR 43 H THR 43 12.073 11.124 -1.585 316 HA THR 43 HA THR 43 14.897 10.243 -1.507 317 HB THR 43 HB THR 43 13.772 12.826 -2.703 318 HG1 THR 43 1HG THR 43 13.756 11.091 -4.142 319 HG21 THR 43 3HG2 THR 43 15.867 13.292 -1.501 320 HG22 THR 43 1HG2 THR 43 16.650 11.926 -2.302 321 HG23 THR 43 2HG2 THR 43 16.124 13.374 -3.229 322 H LYS 44 H LYS 44 15.946 10.877 0.299 323 HA LYS 44 HA LYS 44 14.464 12.034 2.512 324 HB2 LYS 44 1HB LYS 44 17.133 10.829 2.009 325 HB3 LYS 44 2HB LYS 44 17.145 12.061 3.224 326 HG2 LYS 44 1HG LYS 44 14.940 10.526 3.981 327 HG3 LYS 44 2HG LYS 44 16.045 9.307 3.298 328 HD2 LYS 44 1HD LYS 44 17.844 10.304 4.777 329 HD3 LYS 44 2HD LYS 44 16.604 11.398 5.434 330 HE2 LYS 44 1HE LYS 44 15.382 9.045 5.886 331 HE3 LYS 44 2HE LYS 44 17.056 8.473 5.932 332 HZ1 LYS 44 3HZ LYS 44 15.928 10.699 7.514 333 HZ2 LYS 44 1HZ LYS 44 16.260 9.218 8.113 334 HZ3 LYS 44 2HZ LYS 44 17.508 10.149 7.604 335 HA PRO 45 HA PRO 45 15.493 12.893 4.455 336 HB2 PRO 45 1HB PRO 45 14.759 14.857 6.017 337 HB3 PRO 45 2HB PRO 45 16.485 14.647 5.586 338 HG2 PRO 45 1HG PRO 45 14.491 16.595 4.361 339 HG3 PRO 45 2HG PRO 45 16.167 16.926 4.873 340 HD2 PRO 45 1HD PRO 45 15.487 16.323 2.269 341 HD3 PRO 45 2HD PRO 45 17.066 15.863 2.971 342 H ALA 46 H ALA 46 13.526 11.864 4.876 343 HA ALA 46 HA ALA 46 11.381 12.697 3.258 344 HB1 ALA 46 1HB ALA 46 11.778 10.339 4.281 345 HB2 ALA 46 2HB ALA 46 10.938 10.973 5.703 346 HB3 ALA 46 3HB ALA 46 10.121 10.913 4.127 347 H SER 47 H SER 47 9.431 13.712 3.726 348 HA SER 47 HA SER 47 9.441 15.752 5.747 349 HB2 SER 47 1HB SER 47 8.245 15.781 3.483 350 HB3 SER 47 2HB SER 47 7.018 14.723 4.203 351 HG SER 47 HG SER 47 7.792 17.363 4.934 352 H ARG 48 H ARG 48 7.795 12.575 5.470 353 HA ARG 48 HA ARG 48 7.699 12.319 8.352 354 HB2 ARG 48 1HB ARG 48 5.261 11.607 8.295 355 HB3 ARG 48 2HB ARG 48 5.587 13.322 8.200 356 HG2 ARG 48 1HG ARG 48 4.349 13.512 6.360 357 HG3 ARG 48 2HG ARG 48 5.415 12.433 5.493 358 HD2 ARG 48 1HD ARG 48 3.236 11.525 5.288 359 HD3 ARG 48 2HD ARG 48 4.109 10.484 6.394 360 HE ARG 48 HE ARG 48 2.698 11.131 8.140 361 HH11 ARG 48 2HH2 ARG 48 1.882 13.189 5.318 362 HH12 ARG 48 1HH2 ARG 48 0.696 14.074 6.194 363 HH21 ARG 48 2HH1 ARG 48 1.080 12.109 9.149 364 HH22 ARG 48 1HH1 ARG 48 0.162 13.419 8.445 365 H GLU 49 H GLU 49 7.184 10.015 8.907 366 HA GLU 49 HA GLU 49 8.064 8.169 6.728 367 HB2 GLU 49 1HB GLU 49 9.234 8.415 9.524 368 HB3 GLU 49 2HB GLU 49 9.484 7.079 8.404 369 HG2 GLU 49 1HG GLU 49 11.283 8.132 7.708 370 HG3 GLU 49 2HG GLU 49 10.180 9.110 6.766 371 H LEU 50 H LEU 50 6.121 7.325 6.481 372 HA LEU 50 HA LEU 50 4.369 6.378 8.589 373 HB2 LEU 50 1HB LEU 50 4.258 5.743 5.614 374 HB3 LEU 50 2HB LEU 50 2.966 5.521 6.786 375 HG LEU 50 HG LEU 50 4.139 8.215 5.972 376 HD11 LEU 50 1HD1 LEU 50 1.967 8.570 4.891 377 HD12 LEU 50 2HD1 LEU 50 2.835 7.230 4.154 378 HD13 LEU 50 3HD1 LEU 50 1.468 6.927 5.279 379 HD21 LEU 50 3HD2 LEU 50 3.362 8.410 8.251 380 HD22 LEU 50 1HD2 LEU 50 2.081 9.068 7.227 381 HD23 LEU 50 2HD2 LEU 50 1.914 7.452 7.905 382 H SER 51 H SER 51 3.450 3.936 8.131 383 HA SER 51 HA SER 51 5.599 1.914 7.878 384 HB2 SER 51 1HB SER 51 3.847 2.420 10.325 385 HB3 SER 51 2HB SER 51 4.726 0.907 10.020 386 HG SER 51 HG SER 51 5.787 3.512 10.475 387 H VAL 52 H VAL 52 4.814 0.106 6.787 388 HA VAL 52 HA VAL 52 1.828 -0.152 6.815 389 HB VAL 52 HB VAL 52 4.078 -1.540 5.438 390 HG11 VAL 52 1HG1 VAL 52 1.035 -1.837 5.049 391 HG12 VAL 52 2HG1 VAL 52 2.237 -2.482 3.918 392 HG13 VAL 52 3HG1 VAL 52 2.165 -3.122 5.548 393 HG21 VAL 52 3HG2 VAL 52 2.010 0.391 4.299 394 HG22 VAL 52 1HG2 VAL 52 3.733 0.756 4.553 395 HG23 VAL 52 2HG2 VAL 52 3.258 -0.442 3.356 396 H THR 53 H THR 53 1.005 -2.431 7.465 397 HA THR 53 HA THR 53 2.786 -4.066 9.104 398 HB THR 53 HB THR 53 0.763 -4.243 10.753 399 HG1 THR 53 1HG THR 53 0.332 -1.808 9.469 400 HG21 THR 53 3HG2 THR 53 3.083 -3.636 11.376 401 HG22 THR 53 1HG2 THR 53 2.777 -1.947 10.929 402 HG23 THR 53 2HG2 THR 53 1.897 -2.685 12.277 403 H PHE 54 H PHE 54 2.159 -6.259 9.147 404 HA PHE 54 HA PHE 54 0.420 -6.959 6.864 405 HB2 PHE 54 1HB PHE 54 2.454 -8.567 8.457 406 HB3 PHE 54 2HB PHE 54 1.601 -9.121 7.031 407 HD1 PHE 54 2HD PHE 54 1.826 -7.393 4.960 408 HD2 PHE 54 1HD PHE 54 4.686 -7.925 8.117 409 HE1 PHE 54 2HE PHE 54 3.668 -6.679 3.413 410 HE2 PHE 54 1HE PHE 54 6.523 -7.298 6.586 411 HZ PHE 54 HZ PHE 54 6.017 -6.699 4.203 412 H PHE 55 H PHE 55 -1.653 -7.648 7.279 413 HA PHE 55 HA PHE 55 -2.690 -7.823 9.729 414 HB2 PHE 55 1HB PHE 55 -3.673 -8.271 7.150 415 HB3 PHE 55 2HB PHE 55 -4.118 -9.712 8.035 416 HD1 PHE 55 2HD PHE 55 -4.087 -6.025 8.757 417 HD2 PHE 55 1HD PHE 55 -6.237 -9.748 8.959 418 HE1 PHE 55 2HE PHE 55 -6.027 -4.862 9.824 419 HE2 PHE 55 1HE PHE 55 -8.116 -8.594 10.097 420 HZ PHE 55 HZ PHE 55 -8.010 -6.159 10.530 421 HA PRO 56 HA PRO 56 -4.271 -8.623 11.019 422 HB2 PRO 56 1HB PRO 56 -4.886 -9.719 13.402 423 HB3 PRO 56 2HB PRO 56 -5.536 -10.377 11.868 424 HG2 PRO 56 1HG PRO 56 -3.173 -11.386 13.479 425 HG3 PRO 56 2HG PRO 56 -4.501 -12.340 12.757 426 HD2 PRO 56 1HD PRO 56 -2.038 -11.984 11.544 427 HD3 PRO 56 2HD PRO 56 -3.556 -12.238 10.629 428 H ASP 57 H ASP 57 -2.775 -6.940 11.166 429 HA ASP 57 HA ASP 57 -1.642 -6.199 13.676 430 HB2 ASP 57 1HB ASP 57 0.187 -7.651 12.657 431 HB3 ASP 57 2HB ASP 57 0.091 -6.642 11.220 432 H LEU 58 H LEU 58 -2.102 -4.048 13.573 433 HA LEU 58 HA LEU 58 -2.184 -2.612 11.011 434 HB2 LEU 58 1HB LEU 58 -4.463 -1.734 11.642 435 HB3 LEU 58 2HB LEU 58 -4.386 -3.350 10.999 436 HG LEU 58 HG LEU 58 -4.401 -3.023 14.010 437 HD11 LEU 58 1HD1 LEU 58 -6.156 -1.525 13.243 438 HD12 LEU 58 2HD1 LEU 58 -6.852 -2.820 12.227 439 HD13 LEU 58 3HD1 LEU 58 -6.850 -2.964 13.995 440 HD21 LEU 58 3HD2 LEU 58 -4.222 -5.339 13.337 441 HD22 LEU 58 1HD2 LEU 58 -5.914 -5.117 13.735 442 HD23 LEU 58 2HD2 LEU 58 -5.407 -5.150 12.047 443 H ASN 59 H ASN 59 -0.466 -2.674 13.444 444 HA ASN 59 HA ASN 59 -1.045 -0.270 14.964 445 HB2 ASN 59 1HB ASN 59 1.525 -1.910 14.688 446 HB3 ASN 59 2HB ASN 59 1.276 -0.602 15.827 447 HD21 ASN 59 1HD2 ASN 59 0.282 -3.941 15.004 448 HD22 ASN 59 2HD2 ASN 59 -0.467 -4.260 16.543 449 H GLY 60 H GLY 60 0.646 -1.063 11.988 450 HA2 GLY 60 1HA GLY 60 2.237 1.349 11.771 451 HA3 GLY 60 2HA GLY 60 1.800 0.227 10.466 452 H ASP 61 H ASP 61 1.769 3.042 10.162 453 HA ASP 61 HA ASP 61 -0.797 4.221 10.506 454 HB2 ASP 61 1HB ASP 61 1.708 4.923 9.227 455 HB3 ASP 61 2HB ASP 61 0.401 5.234 8.089 456 H VAL 62 H VAL 62 0.528 2.075 8.070 457 HA VAL 62 HA VAL 62 -2.113 1.915 6.714 458 HB VAL 62 HB VAL 62 0.685 1.691 5.537 459 HG11 VAL 62 1HG1 VAL 62 -0.553 0.140 4.269 460 HG12 VAL 62 2HG1 VAL 62 -2.003 1.144 4.234 461 HG13 VAL 62 3HG1 VAL 62 -0.585 1.606 3.294 462 HG21 VAL 62 3HG2 VAL 62 -1.382 3.883 5.508 463 HG22 VAL 62 1HG2 VAL 62 0.360 3.964 5.753 464 HG23 VAL 62 2HG2 VAL 62 -0.299 3.683 4.127 465 H VAL 63 H VAL 63 -2.595 -0.217 5.854 466 HA VAL 63 HA VAL 63 -1.455 -2.409 7.508 467 HB VAL 63 HB VAL 63 -4.323 -1.959 6.555 468 HG11 VAL 63 1HG1 VAL 63 -3.140 -3.947 8.521 469 HG12 VAL 63 2HG1 VAL 63 -4.877 -3.713 8.189 470 HG13 VAL 63 3HG1 VAL 63 -3.826 -4.326 6.921 471 HG21 VAL 63 3HG2 VAL 63 -3.073 -1.421 9.293 472 HG22 VAL 63 1HG2 VAL 63 -3.876 -0.246 8.233 473 HG23 VAL 63 2HG2 VAL 63 -4.826 -1.519 8.993 474 H ALA 64 H ALA 64 -1.528 -4.526 6.345 475 HA ALA 64 HA ALA 64 -1.730 -4.362 3.388 476 HB1 ALA 64 1HB ALA 64 0.643 -4.325 3.979 477 HB2 ALA 64 2HB ALA 64 0.420 -5.696 5.072 478 HB3 ALA 64 3HB ALA 64 0.224 -5.913 3.317 479 H ILE 65 H ILE 65 -2.488 -6.217 2.421 480 HA ILE 65 HA ILE 65 -3.682 -8.278 4.128 481 HB ILE 65 HB ILE 65 -4.959 -6.744 1.866 482 HG12 ILE 65 1HG1 ILE 65 -5.001 -5.579 4.091 483 HG13 ILE 65 2HG1 ILE 65 -6.579 -5.938 3.425 484 HG21 ILE 65 1HG2 ILE 65 -5.647 -9.025 1.616 485 HG22 ILE 65 2HG2 ILE 65 -5.968 -9.200 3.350 486 HG23 ILE 65 3HG2 ILE 65 -6.987 -8.144 2.349 487 HD11 ILE 65 3HD1 ILE 65 -6.884 -7.777 5.025 488 HD12 ILE 65 1HD1 ILE 65 -5.222 -7.561 5.619 489 HD13 ILE 65 2HD1 ILE 65 -6.431 -6.294 5.878 490 H ASP 66 H ASP 66 -3.497 -10.392 3.088 491 HA ASP 66 HA ASP 66 -1.561 -10.745 0.972 492 HB2 ASP 66 1HB ASP 66 -2.077 -12.535 2.562 493 HB3 ASP 66 2HB ASP 66 -3.702 -12.644 1.930 494 H TYR 67 H TYR 67 -1.770 -10.575 -1.039 495 HA TYR 67 HA TYR 67 -3.559 -9.372 -2.723 496 HB2 TYR 67 1HB TYR 67 -1.343 -9.877 -3.405 497 HB3 TYR 67 2HB TYR 67 -1.528 -11.581 -3.032 498 HD1 TYR 67 1HD TYR 67 -2.328 -8.978 -5.536 499 HD2 TYR 67 2HD TYR 67 -2.664 -13.141 -4.518 500 HE1 TYR 67 1HE TYR 67 -2.743 -9.516 -7.933 501 HE2 TYR 67 2HE TYR 67 -3.120 -13.699 -6.889 502 HH TYR 67 HH TYR 67 -3.637 -12.753 -9.015 503 H ARG 68 H ARG 68 -3.953 -12.715 -1.532 504 HA ARG 68 HA ARG 68 -5.617 -13.855 -3.473 505 HB2 ARG 68 1HB ARG 68 -5.903 -13.905 -0.454 506 HB3 ARG 68 2HB ARG 68 -6.568 -15.110 -1.546 507 HG2 ARG 68 1HG ARG 68 -3.614 -14.645 -1.680 508 HG3 ARG 68 2HG ARG 68 -4.262 -15.309 -0.193 509 HD2 ARG 68 1HD ARG 68 -5.177 -17.214 -1.322 510 HD3 ARG 68 2HD ARG 68 -4.849 -16.495 -2.913 511 HE ARG 68 HE ARG 68 -2.371 -16.528 -1.818 512 HH11 ARG 68 2HH2 ARG 68 -4.819 -19.121 -1.992 513 HH12 ARG 68 1HH2 ARG 68 -3.652 -20.352 -2.324 514 HH21 ARG 68 2HH1 ARG 68 -0.854 -18.218 -2.150 515 HH22 ARG 68 1HH1 ARG 68 -1.322 -19.875 -2.116 516 H HIS 69 H HIS 69 -6.399 -11.518 -0.996 517 HA HIS 69 HA HIS 69 -9.264 -11.432 -1.305 518 HB2 HIS 69 1HB HIS 69 -7.152 -9.746 -0.083 519 HB3 HIS 69 2HB HIS 69 -8.574 -8.859 -0.595 520 HD1 HIS 69 1HD HIS 69 -7.394 -11.081 2.214 521 HD2 HIS 69 2HD HIS 69 -10.927 -9.395 0.643 522 HE1 HIS 69 1HE HIS 69 -9.078 -11.047 4.111 523 H TYR 70 H TYR 70 -6.768 -10.197 -3.488 524 HA TYR 70 HA TYR 70 -8.279 -8.014 -4.531 525 HB2 TYR 70 1HB TYR 70 -5.810 -8.147 -4.533 526 HB3 TYR 70 2HB TYR 70 -5.887 -9.467 -5.681 527 HD1 TYR 70 2HD TYR 70 -8.473 -7.216 -6.698 528 HD2 TYR 70 1HD TYR 70 -4.195 -7.768 -6.664 529 HE1 TYR 70 2HE TYR 70 -8.266 -5.808 -8.713 530 HE2 TYR 70 1HE TYR 70 -4.000 -6.422 -8.744 531 HH TYR 70 HH TYR 70 -5.161 -5.088 -10.327 532 H SER 71 H SER 71 -10.236 -9.243 -4.831 533 HA SER 71 HA SER 71 -10.498 -11.118 -6.917 534 HB2 SER 71 1HB SER 71 -11.926 -10.282 -4.685 535 HB3 SER 71 2HB SER 71 -12.982 -9.738 -5.970 536 HG SER 71 HG SER 71 -13.348 -11.866 -5.182 537 H ALA 72 H ALA 72 -9.426 -8.777 -8.092 538 HA ALA 72 HA ALA 72 -9.592 -7.196 -9.679 539 HB1 ALA 72 1HB ALA 72 -9.999 -9.141 -11.048 540 HB2 ALA 72 2HB ALA 72 -11.744 -8.980 -10.830 541 HB3 ALA 72 3HB ALA 72 -10.832 -7.724 -11.687 542 H SER 73 H SER 73 -12.592 -7.543 -7.823 543 HA SER 73 HA SER 73 -13.936 -5.235 -8.495 544 HB2 SER 73 1HB SER 73 -13.434 -5.662 -5.572 545 HB3 SER 73 2HB SER 73 -14.943 -5.480 -6.434 546 HG SER 73 HG SER 73 -14.759 -7.550 -5.626 547 H PHE 74 H PHE 74 -11.032 -5.680 -6.582 548 HA PHE 74 HA PHE 74 -10.922 -2.939 -5.648 549 HB2 PHE 74 1HB PHE 74 -9.056 -5.271 -5.211 550 HB3 PHE 74 2HB PHE 74 -9.191 -3.844 -4.203 551 HD1 PHE 74 1HD PHE 74 -11.156 -3.622 -2.583 552 HD2 PHE 74 2HD PHE 74 -10.633 -7.117 -5.048 553 HE1 PHE 74 1HE PHE 74 -12.730 -4.912 -1.118 554 HE2 PHE 74 2HE PHE 74 -12.232 -8.355 -3.590 555 HZ PHE 74 HZ PHE 74 -13.256 -7.248 -1.650 556 H LYS 75 H LYS 75 -10.263 -3.536 -8.642 557 HA LYS 75 HA LYS 75 -7.516 -3.599 -8.902 558 HB2 LYS 75 1HB LYS 75 -8.007 -3.842 -11.071 559 HB3 LYS 75 2HB LYS 75 -9.669 -3.866 -10.578 560 HG2 LYS 75 1HG LYS 75 -9.881 -1.455 -11.023 561 HG3 LYS 75 2HG LYS 75 -8.183 -1.388 -11.556 562 HD2 LYS 75 1HD LYS 75 -8.693 -2.990 -13.374 563 HD3 LYS 75 2HD LYS 75 -10.401 -2.992 -12.871 564 HE2 LYS 75 1HE LYS 75 -10.476 -0.522 -13.191 565 HE3 LYS 75 2HE LYS 75 -8.791 -0.548 -13.770 566 HZ1 LYS 75 3HZ LYS 75 -9.563 -2.011 -15.578 567 HZ2 LYS 75 1HZ LYS 75 -11.094 -1.902 -15.026 568 HZ3 LYS 75 2HZ LYS 75 -10.326 -0.579 -15.638 569 H LYS 76 H LYS 76 -9.497 -0.809 -8.303 570 HA LYS 76 HA LYS 76 -7.384 1.070 -9.137 571 HB2 LYS 76 1HB LYS 76 -10.252 1.509 -8.306 572 HB3 LYS 76 2HB LYS 76 -9.106 2.783 -8.756 573 HG2 LYS 76 1HG LYS 76 -8.829 1.420 -10.973 574 HG3 LYS 76 2HG LYS 76 -10.271 0.554 -10.439 575 HD2 LYS 76 1HD LYS 76 -11.485 2.656 -10.201 576 HD3 LYS 76 2HD LYS 76 -10.084 3.566 -10.789 577 HE2 LYS 76 1HE LYS 76 -10.204 2.475 -12.938 578 HE3 LYS 76 2HE LYS 76 -11.453 1.348 -12.345 579 HZ1 LYS 76 3HZ LYS 76 -12.982 3.131 -12.137 580 HZ2 LYS 76 1HZ LYS 76 -11.872 4.274 -12.451 581 HZ3 LYS 76 2HZ LYS 76 -12.352 3.257 -13.656 582 H GLY 77 H GLY 77 -7.792 -0.720 -6.411 583 HA2 GLY 77 1HA GLY 77 -6.366 -0.267 -4.527 584 HA3 GLY 77 2HA GLY 77 -6.877 1.426 -4.558 585 H ALA 78 H ALA 78 -7.121 -0.025 -2.241 586 HA ALA 78 HA ALA 78 -10.035 -0.233 -1.849 587 HB1 ALA 78 1HB ALA 78 -9.182 -2.458 -2.549 588 HB2 ALA 78 2HB ALA 78 -8.089 -2.461 -1.151 589 HB3 ALA 78 3HB ALA 78 -9.857 -2.439 -0.922 590 H LYS 79 H LYS 79 -10.317 -0.898 0.623 591 HA LYS 79 HA LYS 79 -8.347 0.245 2.473 592 HB2 LYS 79 1HB LYS 79 -10.217 1.650 3.453 593 HB3 LYS 79 2HB LYS 79 -9.570 2.227 1.908 594 HG2 LYS 79 1HG LYS 79 -11.492 1.610 0.713 595 HG3 LYS 79 2HG LYS 79 -11.976 0.440 1.899 596 HD2 LYS 79 1HD LYS 79 -12.552 2.240 3.478 597 HD3 LYS 79 2HD LYS 79 -12.157 3.457 2.239 598 HE2 LYS 79 1HE LYS 79 -13.976 2.844 0.887 599 HE3 LYS 79 2HE LYS 79 -13.945 1.171 1.453 600 HZ1 LYS 79 3HZ LYS 79 -15.054 3.433 2.967 601 HZ2 LYS 79 1HZ LYS 79 -15.855 2.190 2.238 602 HZ3 LYS 79 2HZ LYS 79 -14.898 1.918 3.554 603 H LEU 80 H LEU 80 -9.088 -0.216 4.732 604 HA LEU 80 HA LEU 80 -10.879 -2.529 4.999 605 HB2 LEU 80 1HB LEU 80 -8.260 -2.549 5.738 606 HB3 LEU 80 2HB LEU 80 -8.890 -1.667 7.119 607 HG LEU 80 HG LEU 80 -10.596 -3.655 7.282 608 HD11 LEU 80 1HD1 LEU 80 -9.608 -5.827 6.365 609 HD12 LEU 80 2HD1 LEU 80 -10.330 -4.761 5.172 610 HD13 LEU 80 3HD1 LEU 80 -8.553 -4.841 5.347 611 HD21 LEU 80 3HD2 LEU 80 -9.034 -4.976 8.571 612 HD22 LEU 80 1HD2 LEU 80 -7.644 -4.221 7.733 613 HD23 LEU 80 2HD2 LEU 80 -8.681 -3.258 8.812 614 H LEU 81 H LEU 81 -11.687 -2.184 7.448 615 HA LEU 81 HA LEU 81 -13.789 -0.783 7.739 616 HB2 LEU 81 1HB LEU 81 -12.506 -1.989 9.618 617 HB3 LEU 81 2HB LEU 81 -11.889 -0.441 10.042 618 HG LEU 81 HG LEU 81 -14.616 0.143 9.772 619 HD11 LEU 81 1HD1 LEU 81 -15.117 -2.260 9.542 620 HD12 LEU 81 2HD1 LEU 81 -14.368 -2.576 11.120 621 HD13 LEU 81 3HD1 LEU 81 -15.836 -1.572 10.991 622 HD21 LEU 81 3HD2 LEU 81 -13.013 -0.591 12.233 623 HD22 LEU 81 1HD2 LEU 81 -13.320 1.032 11.569 624 HD23 LEU 81 2HD2 LEU 81 -14.644 0.109 12.287 625 H HIS 82 H HIS 82 -10.916 0.854 8.808 626 HA HIS 82 HA HIS 82 -11.894 3.403 7.569 627 HB2 HIS 82 1HB HIS 82 -11.627 4.704 9.522 628 HB3 HIS 82 2HB HIS 82 -12.636 3.333 9.973 629 HD1 HIS 82 1HD HIS 82 -9.457 5.056 10.905 630 HD2 HIS 82 2HD HIS 82 -11.119 1.199 11.163 631 HE1 HIS 82 1HE HIS 82 -8.162 3.878 12.737 632 H LYS 83 H LYS 83 -9.574 1.376 7.142 633 HA LYS 83 HA LYS 83 -7.295 3.290 7.364 634 HB2 LYS 83 1HB LYS 83 -7.521 0.383 8.207 635 HB3 LYS 83 2HB LYS 83 -5.961 1.069 7.797 636 HG2 LYS 83 1HG LYS 83 -7.510 2.855 9.589 637 HG3 LYS 83 2HG LYS 83 -7.287 1.268 10.271 638 HD2 LYS 83 1HD LYS 83 -4.872 2.604 9.071 639 HD3 LYS 83 2HD LYS 83 -5.532 3.257 10.569 640 HE2 LYS 83 1HE LYS 83 -5.471 1.028 11.619 641 HE3 LYS 83 2HE LYS 83 -4.696 0.362 10.180 642 HZ1 LYS 83 3HZ LYS 83 -3.219 1.083 12.106 643 HZ2 LYS 83 1HZ LYS 83 -2.752 1.670 10.682 644 HZ3 LYS 83 2HZ LYS 83 -3.559 2.656 11.690 645 HA PRO 84 HA PRO 84 -6.594 1.956 3.159 646 HB2 PRO 84 1HB PRO 84 -3.983 2.585 2.762 647 HB3 PRO 84 2HB PRO 84 -5.226 3.847 3.034 648 HG2 PRO 84 1HG PRO 84 -3.250 2.720 4.998 649 HG3 PRO 84 2HG PRO 84 -3.747 4.410 4.787 650 HD2 PRO 84 1HD PRO 84 -4.712 2.552 6.673 651 HD3 PRO 84 2HD PRO 84 -5.573 4.041 6.256 652 H ILE 85 H ILE 85 -5.657 0.126 2.011 653 HA ILE 85 HA ILE 85 -4.052 -1.734 3.640 654 HB ILE 85 HB ILE 85 -5.211 -3.693 2.957 655 HG12 ILE 85 1HG1 ILE 85 -7.525 -3.049 1.603 656 HG13 ILE 85 2HG1 ILE 85 -6.460 -1.873 0.884 657 HG21 ILE 85 1HG2 ILE 85 -6.115 -2.569 4.844 658 HG22 ILE 85 2HG2 ILE 85 -7.230 -1.659 3.812 659 HG23 ILE 85 3HG2 ILE 85 -7.362 -3.425 3.918 660 HD11 ILE 85 3HD1 ILE 85 -6.029 -4.898 0.980 661 HD12 ILE 85 1HD1 ILE 85 -6.526 -3.963 -0.437 662 HD13 ILE 85 2HD1 ILE 85 -4.904 -3.747 0.227 663 H VAL 86 H VAL 86 -2.672 -3.087 2.318 664 HA VAL 86 HA VAL 86 -2.490 -2.360 -0.531 665 HB VAL 86 HB VAL 86 -0.054 -2.504 -0.449 666 HG11 VAL 86 1HG1 VAL 86 0.378 -0.293 0.666 667 HG12 VAL 86 2HG1 VAL 86 -0.979 -0.292 -0.465 668 HG13 VAL 86 3HG1 VAL 86 -1.256 -0.315 1.301 669 HG21 VAL 86 3HG2 VAL 86 1.236 -2.347 1.602 670 HG22 VAL 86 1HG2 VAL 86 -0.231 -2.417 2.581 671 HG23 VAL 86 2HG2 VAL 86 0.273 -3.824 1.610 672 H TRP 87 H TRP 87 -1.425 -4.062 -1.810 673 HA TRP 87 HA TRP 87 -2.085 -6.750 -0.763 674 HB2 TRP 87 1HB TRP 87 -1.023 -5.895 -3.487 675 HB3 TRP 87 2HB TRP 87 -1.632 -7.485 -3.041 676 HD1 TRP 87 HD TRP 87 -2.671 -4.672 -4.927 677 HE1 TRP 87 1HE TRP 87 -5.222 -4.428 -5.121 678 HE3 TRP 87 3HE TRP 87 -4.088 -7.631 -0.973 679 HZ2 TRP 87 2HZ TRP 87 -7.549 -5.369 -3.700 680 HZ3 TRP 87 3HZ TRP 87 -6.436 -7.756 -0.329 681 HH2 TRP 87 HH TRP 87 -8.219 -6.713 -1.762 682 H HIS 88 H HIS 88 -0.512 -8.052 -0.000 683 HA HIS 88 HA HIS 88 2.244 -7.689 -0.975 684 HB2 HIS 88 1HB HIS 88 3.315 -8.075 1.011 685 HB3 HIS 88 2HB HIS 88 2.098 -6.878 1.430 686 HD1 HIS 88 1HD HIS 88 3.549 -9.765 3.001 687 HD2 HIS 88 2HD HIS 88 -0.329 -8.227 2.452 688 HE1 HIS 88 1HE HIS 88 2.123 -10.866 4.734 689 H ILE 89 H ILE 89 3.397 -9.722 -0.978 690 HA ILE 89 HA ILE 89 1.875 -12.231 -0.719 691 HB ILE 89 HB ILE 89 3.513 -11.254 -3.122 692 HG12 ILE 89 1HG1 ILE 89 0.706 -12.444 -3.022 693 HG13 ILE 89 2HG1 ILE 89 1.066 -10.722 -3.145 694 HG21 ILE 89 1HG2 ILE 89 3.460 -13.523 -4.016 695 HG22 ILE 89 2HG2 ILE 89 4.250 -13.552 -2.446 696 HG23 ILE 89 3HG2 ILE 89 2.567 -14.105 -2.590 697 HD11 ILE 89 3HD1 ILE 89 2.265 -11.129 -5.297 698 HD12 ILE 89 1HD1 ILE 89 1.725 -12.825 -5.231 699 HD13 ILE 89 2HD1 ILE 89 0.534 -11.527 -5.341 700 H ASN 90 H ASN 90 3.109 -13.152 0.876 701 HA ASN 90 HA ASN 90 4.852 -13.866 2.081 702 HB2 ASN 90 1HB ASN 90 6.721 -14.834 1.025 703 HB3 ASN 90 2HB ASN 90 5.327 -15.099 0.014 704 HD21 ASN 90 1HD2 ASN 90 7.751 -12.454 0.305 705 HD22 ASN 90 2HD2 ASN 90 7.902 -12.296 -1.463 706 H GLN 91 H GLN 91 4.477 -10.969 1.773 707 HA GLN 91 HA GLN 91 5.401 -9.002 2.567 708 HB2 GLN 91 1HB GLN 91 7.773 -10.546 3.632 709 HB3 GLN 91 2HB GLN 91 7.157 -8.998 4.151 710 HG2 GLN 91 1HG GLN 91 5.053 -10.160 4.947 711 HG3 GLN 91 2HG GLN 91 5.821 -11.714 4.572 712 HE21 GLN 91 1HE2 GLN 91 8.584 -10.946 5.418 713 HE22 GLN 91 2HE2 GLN 91 8.431 -10.445 7.105 714 H ALA 92 H ALA 92 5.919 -9.914 -0.164 715 HA ALA 92 HA ALA 92 8.141 -8.018 -0.658 716 HB1 ALA 92 1HB ALA 92 7.643 -10.552 -2.277 717 HB2 ALA 92 2HB ALA 92 8.898 -9.329 -2.566 718 HB3 ALA 92 3HB ALA 92 8.983 -10.335 -1.114 719 H THR 93 H THR 93 7.903 -7.299 -3.059 720 HA THR 93 HA THR 93 5.114 -7.276 -3.949 721 HB THR 93 HB THR 93 5.470 -5.072 -3.121 722 HG1 THR 93 1HG THR 93 4.298 -5.090 -4.850 723 HG21 THR 93 3HG2 THR 93 7.946 -4.808 -4.892 724 HG22 THR 93 1HG2 THR 93 7.165 -3.509 -3.974 725 HG23 THR 93 2HG2 THR 93 7.934 -4.844 -3.119 726 H THR 94 H THR 94 4.939 -7.472 -6.267 727 HA THR 94 HA THR 94 7.343 -8.437 -7.668 728 HB THR 94 HB THR 94 6.135 -10.418 -8.416 729 HG1 THR 94 1HG THR 94 4.142 -10.959 -7.382 730 HG21 THR 94 3HG2 THR 94 7.417 -10.626 -6.279 731 HG22 THR 94 1HG2 THR 94 5.923 -10.309 -5.370 732 HG23 THR 94 2HG2 THR 94 6.054 -11.752 -6.372 733 H LYS 95 H LYS 95 6.694 -8.593 -10.147 734 HA LYS 95 HA LYS 95 5.630 -6.025 -10.672 735 HB2 LYS 95 1HB LYS 95 7.270 -7.483 -12.102 736 HB3 LYS 95 2HB LYS 95 5.792 -8.006 -12.936 737 HG2 LYS 95 1HG LYS 95 5.221 -5.647 -13.424 738 HG3 LYS 95 2HG LYS 95 6.560 -5.089 -12.409 739 HD2 LYS 95 1HD LYS 95 8.155 -6.235 -13.997 740 HD3 LYS 95 2HD LYS 95 6.765 -6.533 -15.072 741 HE2 LYS 95 1HE LYS 95 6.299 -4.078 -15.102 742 HE3 LYS 95 2HE LYS 95 7.690 -3.801 -14.038 743 HZ1 LYS 95 3HZ LYS 95 8.292 -3.434 -16.355 744 HZ2 LYS 95 1HZ LYS 95 9.105 -4.726 -15.787 745 HZ3 LYS 95 2HZ LYS 95 7.796 -4.909 -16.779 746 H THR 96 H THR 96 3.944 -9.017 -10.273 747 HA THR 96 HA THR 96 1.426 -8.301 -11.453 748 HB THR 96 HB THR 96 2.133 -10.047 -9.053 749 HG1 THR 96 1HG THR 96 3.049 -10.833 -10.889 750 HG21 THR 96 3HG2 THR 96 -0.433 -9.829 -10.676 751 HG22 THR 96 1HG2 THR 96 -0.065 -11.154 -9.557 752 HG23 THR 96 2HG2 THR 96 -0.242 -9.506 -8.942 753 H THR 97 H THR 97 2.671 -7.873 -7.989 754 HA THR 97 HA THR 97 0.178 -6.527 -7.326 755 HB THR 97 HB THR 97 1.347 -6.588 -5.037 756 HG1 THR 97 1HG THR 97 3.052 -8.121 -4.988 757 HG21 THR 97 3HG2 THR 97 0.960 -8.966 -4.727 758 HG22 THR 97 1HG2 THR 97 -0.290 -8.272 -5.773 759 HG23 THR 97 2HG2 THR 97 1.020 -9.257 -6.476 760 H PHE 98 H PHE 98 3.048 -5.536 -8.629 761 HA PHE 98 HA PHE 98 3.465 -2.996 -7.363 762 HB2 PHE 98 1HB PHE 98 5.336 -3.557 -8.470 763 HB3 PHE 98 2HB PHE 98 4.498 -4.535 -9.653 764 HD1 PHE 98 1HD PHE 98 5.777 -1.159 -8.958 765 HD2 PHE 98 2HD PHE 98 3.861 -3.745 -11.807 766 HE1 PHE 98 1HE PHE 98 6.329 0.446 -10.781 767 HE2 PHE 98 2HE PHE 98 4.368 -2.125 -13.620 768 HZ PHE 98 HZ PHE 98 5.601 -0.030 -13.109 769 H LYS 99 H LYS 99 1.848 -4.022 -10.376 770 HA LYS 99 HA LYS 99 0.956 -1.583 -11.365 771 HB2 LYS 99 1HB LYS 99 -0.122 -4.412 -11.494 772 HB3 LYS 99 2HB LYS 99 -1.054 -3.099 -12.205 773 HG2 LYS 99 1HG LYS 99 1.812 -3.779 -12.957 774 HG3 LYS 99 2HG LYS 99 0.340 -4.276 -13.788 775 HD2 LYS 99 1HD LYS 99 -0.177 -1.772 -14.103 776 HD3 LYS 99 2HD LYS 99 1.528 -1.509 -13.643 777 HE2 LYS 99 1HE LYS 99 2.219 -3.124 -15.438 778 HE3 LYS 99 2HE LYS 99 0.524 -3.334 -15.884 779 HZ1 LYS 99 3HZ LYS 99 1.552 -1.779 -17.343 780 HZ2 LYS 99 1HZ LYS 99 0.502 -0.906 -16.406 781 HZ3 LYS 99 2HZ LYS 99 2.118 -0.875 -16.111 782 HA PRO 100 HA PRO 100 -3.108 -1.657 -8.831 783 HB2 PRO 100 1HB PRO 100 -3.429 -3.275 -6.680 784 HB3 PRO 100 2HB PRO 100 -3.798 -3.821 -8.342 785 HG2 PRO 100 1HG PRO 100 -1.264 -4.303 -6.769 786 HG3 PRO 100 2HG PRO 100 -2.251 -5.509 -7.635 787 HD2 PRO 100 1HD PRO 100 -0.074 -4.434 -8.807 788 HD3 PRO 100 2HD PRO 100 -1.564 -4.707 -9.752 789 H ASN 101 H ASN 101 0.006 -2.342 -6.943 790 HA ASN 101 HA ASN 101 -0.778 -0.723 -4.810 791 HB2 ASN 101 1HB ASN 101 1.742 -1.988 -5.795 792 HB3 ASN 101 2HB ASN 101 1.945 -0.566 -4.839 793 HD21 ASN 101 1HD2 ASN 101 1.389 -3.887 -4.608 794 HD22 ASN 101 2HD2 ASN 101 1.146 -3.915 -2.872 795 H THR 102 H THR 102 0.688 0.223 -7.946 796 HA THR 102 HA THR 102 1.383 2.817 -7.090 797 HB THR 102 HB THR 102 1.900 3.307 -9.129 798 HG1 THR 102 1HG THR 102 0.426 2.265 -10.945 799 HG21 THR 102 3HG2 THR 102 1.250 0.459 -9.938 800 HG22 THR 102 1HG2 THR 102 2.458 1.529 -10.654 801 HG23 THR 102 2HG2 THR 102 2.689 0.925 -9.007 802 H TRP 103 H TRP 103 -1.827 1.531 -7.518 803 HA TRP 103 HA TRP 103 -3.169 4.118 -7.718 804 HB2 TRP 103 1HB TRP 103 -4.165 1.300 -7.096 805 HB3 TRP 103 2HB TRP 103 -5.146 2.697 -7.187 806 HD1 TRP 103 HD TRP 103 -3.283 0.337 -9.449 807 HE1 TRP 103 1HE TRP 103 -4.540 0.237 -11.617 808 HE3 TRP 103 3HE TRP 103 -6.255 4.407 -8.734 809 HZ2 TRP 103 2HZ TRP 103 -6.711 1.798 -12.941 810 HZ3 TRP 103 3HZ TRP 103 -7.926 5.077 -10.443 811 HH2 TRP 103 HH TRP 103 -8.207 3.740 -12.486 812 H CYS 104 H CYS 104 -2.232 1.781 -5.086 813 HA CYS 104 HA CYS 104 -3.724 3.306 -3.083 814 HB2 CYS 104 1HB CYS 104 -3.227 0.926 -2.775 815 HB3 CYS 104 2HB CYS 104 -1.470 1.262 -2.826 816 HG CYS 104 HG CYS 104 -3.528 2.860 -0.781 817 H LEU 105 H LEU 105 -0.397 3.429 -4.600 818 HA LEU 105 HA LEU 105 0.588 5.146 -2.483 819 HB2 LEU 105 1HB LEU 105 1.414 4.646 -5.399 820 HB3 LEU 105 2HB LEU 105 2.323 5.736 -4.376 821 HG LEU 105 HG LEU 105 1.879 2.792 -3.718 822 HD11 LEU 105 1HD1 LEU 105 4.257 2.530 -4.353 823 HD12 LEU 105 2HD1 LEU 105 3.230 3.044 -5.719 824 HD13 LEU 105 3HD1 LEU 105 4.295 4.205 -4.912 825 HD21 LEU 105 3HD2 LEU 105 3.734 3.145 -2.109 826 HD22 LEU 105 1HD2 LEU 105 3.678 4.885 -2.439 827 HD23 LEU 105 2HD2 LEU 105 2.300 4.084 -1.683 828 H ARG 106 H ARG 106 -1.238 5.683 -5.455 829 HA ARG 106 HA ARG 106 -1.351 8.551 -5.317 830 HB2 ARG 106 1HB ARG 106 -3.187 6.449 -6.550 831 HB3 ARG 106 2HB ARG 106 -3.475 8.196 -6.678 832 HG2 ARG 106 1HG ARG 106 -1.404 8.566 -7.667 833 HG3 ARG 106 2HG ARG 106 -0.833 6.898 -7.436 834 HD2 ARG 106 1HD ARG 106 -2.303 6.111 -9.142 835 HD3 ARG 106 2HD ARG 106 -3.219 7.642 -9.173 836 HE ARG 106 HE ARG 106 -1.603 8.594 -10.489 837 HH11 ARG 106 2HH2 ARG 106 -0.198 5.586 -9.141 838 HH12 ARG 106 1HH2 ARG 106 1.224 5.690 -10.129 839 HH21 ARG 106 2HH1 ARG 106 0.224 8.714 -11.704 840 HH22 ARG 106 1HH1 ARG 106 1.409 7.460 -11.787 841 H CYS 107 H CYS 107 -3.247 6.083 -3.464 842 HA CYS 107 HA CYS 107 -5.132 8.129 -2.651 843 HB2 CYS 107 1HB CYS 107 -6.256 6.445 -1.586 844 HB3 CYS 107 2HB CYS 107 -5.550 5.604 -2.939 845 HG CYS 107 HG CYS 107 -4.836 5.617 0.278 846 H LEU 108 H LEU 108 -1.936 7.222 -1.761 847 HA LEU 108 HA LEU 108 -2.117 8.357 0.958 848 HB2 LEU 108 1HB LEU 108 0.199 7.054 -0.539 849 HB3 LEU 108 2HB LEU 108 0.222 7.508 1.134 850 HG LEU 108 HG LEU 108 -1.669 5.429 -0.007 851 HD11 LEU 108 1HD1 LEU 108 1.008 5.096 1.333 852 HD12 LEU 108 2HD1 LEU 108 -0.167 3.781 1.039 853 HD13 LEU 108 3HD1 LEU 108 0.546 4.653 -0.314 854 HD21 LEU 108 3HD2 LEU 108 -1.968 4.756 2.365 855 HD22 LEU 108 1HD2 LEU 108 -0.940 6.123 2.877 856 HD23 LEU 108 2HD2 LEU 108 -2.502 6.416 2.101 857 H TRP 109 H TRP 109 -1.485 9.623 -2.217 858 HA TRP 109 HA TRP 109 0.617 11.478 -1.695 859 HB2 TRP 109 1HB TRP 109 -1.646 11.311 -3.700 860 HB3 TRP 109 2HB TRP 109 -0.422 12.546 -3.697 861 HD1 TRP 109 HD TRP 109 1.550 9.749 -2.796 862 HE1 TRP 109 1HE TRP 109 2.548 8.463 -4.722 863 HE3 TRP 109 3HE TRP 109 -1.322 11.662 -6.542 864 HZ2 TRP 109 2HZ TRP 109 2.240 8.378 -7.636 865 HZ3 TRP 109 3HZ TRP 109 -0.803 11.155 -8.914 866 HH2 TRP 109 HH TRP 109 0.912 9.458 -9.461 867 H SER 110 H SER 110 0.129 13.843 -1.679 868 HA SER 110 HA SER 110 -2.344 14.596 -0.171 869 HB2 SER 110 1HB SER 110 0.388 15.916 -0.472 870 HB3 SER 110 2HB SER 110 -1.033 16.773 0.136 871 HG SER 110 HG SER 110 -0.282 14.300 1.304 872 H THR 111 H THR 111 -3.602 16.215 -1.071 873 HA THR 111 HA THR 111 -2.999 17.219 -3.798 874 HB THR 111 HB THR 111 -5.294 18.275 -3.503 875 HG1 THR 111 1HG THR 111 -5.464 17.900 -1.153 876 HG21 THR 111 3HG2 THR 111 -6.524 16.118 -3.867 877 HG22 THR 111 1HG2 THR 111 -5.054 16.256 -4.854 878 HG23 THR 111 2HG2 THR 111 -5.080 15.232 -3.398 879 H LYS 112 H LYS 112 -2.846 19.545 -3.944 880 HA LYS 112 HA LYS 112 -1.065 20.793 -2.873 881 HB2 LYS 112 1HB LYS 112 -3.432 21.752 -4.155 882 HB3 LYS 112 2HB LYS 112 -2.927 22.932 -2.950 883 HG2 LYS 112 1HG LYS 112 -1.043 21.780 -5.018 884 HG3 LYS 112 2HG LYS 112 -1.941 23.293 -5.230 885 HD2 LYS 112 1HD LYS 112 -0.808 24.355 -3.366 886 HD3 LYS 112 2HD LYS 112 -0.133 22.811 -2.839 887 HE2 LYS 112 1HE LYS 112 0.918 22.769 -5.259 888 HE3 LYS 112 2HE LYS 112 0.724 24.533 -5.163 889 HZ1 LYS 112 3HZ LYS 112 2.063 22.856 -3.125 890 HZ2 LYS 112 1HZ LYS 112 2.878 23.601 -4.355 891 HZ3 LYS 112 2HZ LYS 112 2.118 24.476 -3.186 892 HA PRO 113 HA PRO 113 -2.210 20.895 1.527 893 HB2 PRO 113 1HB PRO 113 0.372 20.746 2.505 894 HB3 PRO 113 2HB PRO 113 -0.574 19.340 1.939 895 HG2 PRO 113 1HG PRO 113 1.614 20.816 0.486 896 HG3 PRO 113 2HG PRO 113 1.184 19.068 0.428 897 HD2 PRO 113 1HD PRO 113 0.476 20.980 -1.457 898 HD3 PRO 113 2HD PRO 113 -0.258 19.368 -1.237 899 H VAL 114 H VAL 114 -1.740 22.405 3.249 900 HA VAL 114 HA VAL 114 -0.993 25.127 2.262 901 HB VAL 114 HB VAL 114 -3.204 24.689 4.272 902 HG11 VAL 114 1HG1 VAL 114 -2.839 26.721 2.022 903 HG12 VAL 114 2HG1 VAL 114 -4.078 26.751 3.306 904 HG13 VAL 114 3HG1 VAL 114 -2.375 26.982 3.711 905 HG21 VAL 114 3HG2 VAL 114 -3.964 23.191 2.578 906 HG22 VAL 114 1HG2 VAL 114 -4.881 24.694 2.441 907 HG23 VAL 114 2HG2 VAL 114 -3.574 24.355 1.280 908 H ASP 115 H ASP 115 0.655 23.126 3.700 909 HA ASP 115 HA ASP 115 0.787 24.033 6.454 910 HB2 ASP 115 1HB ASP 115 2.446 22.384 6.740 911 HB3 ASP 115 2HB ASP 115 1.191 21.651 5.743 912 H THR 116 H THR 116 2.127 24.896 3.384 913 HA THR 116 HA THR 116 3.981 26.835 4.594 914 HB THR 116 HB THR 116 4.493 24.596 2.622 915 HG1 THR 116 1HG THR 116 6.273 24.348 3.925 916 HG21 THR 116 3HG2 THR 116 5.396 26.430 1.351 917 HG22 THR 116 1HG2 THR 116 6.209 27.108 2.784 918 HG23 THR 116 2HG2 THR 116 6.729 25.559 2.087 Start of MODEL 18 1 H1 MET 1 H MET 1 -16.106 -21.697 -6.951 2 HA MET 1 HA MET 1 -13.865 -19.923 -6.249 3 HB2 MET 1 1HB MET 1 -15.723 -19.778 -8.531 4 HB3 MET 1 2HB MET 1 -15.679 -18.284 -7.576 5 HG2 MET 1 1HG MET 1 -13.955 -18.265 -9.326 6 HG3 MET 1 2HG MET 1 -13.287 -18.159 -7.706 7 HE1 MET 1 3HE MET 1 -10.279 -20.132 -8.666 8 HE2 MET 1 1HE MET 1 -10.970 -18.604 -9.250 9 HE3 MET 1 2HE MET 1 -11.015 -19.003 -7.516 10 H TYR 2 H TYR 2 -14.120 -19.748 -4.142 11 HA TYR 2 HA TYR 2 -16.263 -18.076 -3.144 12 HB2 TYR 2 1HB TYR 2 -17.379 -20.166 -2.747 13 HB3 TYR 2 2HB TYR 2 -15.892 -20.957 -2.238 14 HD1 TYR 2 1HD TYR 2 -14.801 -20.373 -0.054 15 HD2 TYR 2 2HD TYR 2 -18.777 -19.014 -1.106 16 HE1 TYR 2 1HE TYR 2 -15.288 -19.960 2.316 17 HE2 TYR 2 2HE TYR 2 -19.279 -18.667 1.291 18 HH TYR 2 HH TYR 2 -16.908 -19.534 3.861 19 H THR 3 H THR 3 -15.283 -16.739 -1.692 20 HA THR 3 HA THR 3 -12.867 -17.519 -0.204 21 HB THR 3 HB THR 3 -13.021 -15.353 -2.302 22 HG1 THR 3 1HG THR 3 -12.376 -17.828 -2.443 23 HG21 THR 3 3HG2 THR 3 -10.535 -15.000 -1.836 24 HG22 THR 3 1HG2 THR 3 -11.628 -14.329 -0.635 25 HG23 THR 3 2HG2 THR 3 -10.784 -15.861 -0.296 26 H GLU 4 H GLU 4 -15.526 -17.217 0.343 27 HA GLU 4 HA GLU 4 -17.083 -16.349 1.728 28 HB2 GLU 4 1HB GLU 4 -16.469 -16.494 3.909 29 HB3 GLU 4 2HB GLU 4 -15.355 -17.525 3.042 30 HG2 GLU 4 1HG GLU 4 -13.766 -15.342 3.207 31 HG3 GLU 4 2HG GLU 4 -14.838 -15.022 4.597 32 H GLN 5 H GLN 5 -17.024 -14.460 3.739 33 HA GLN 5 HA GLN 5 -17.420 -11.984 2.242 34 HB2 GLN 5 1HB GLN 5 -18.700 -12.546 4.352 35 HB3 GLN 5 2HB GLN 5 -17.159 -12.348 5.225 36 HG2 GLN 5 1HG GLN 5 -17.013 -10.017 4.460 37 HG3 GLN 5 2HG GLN 5 -18.518 -10.213 3.555 38 HE21 GLN 5 1HE2 GLN 5 -18.021 -11.485 6.937 39 HE22 GLN 5 2HE2 GLN 5 -19.128 -10.323 7.638 40 HA PRO 6 HA PRO 6 -12.947 -11.223 2.518 41 HB2 PRO 6 1HB PRO 6 -12.762 -8.777 1.554 42 HB3 PRO 6 2HB PRO 6 -13.353 -10.085 0.494 43 HG2 PRO 6 1HG PRO 6 -15.040 -8.090 2.057 44 HG3 PRO 6 2HG PRO 6 -15.163 -8.497 0.311 45 HD2 PRO 6 1HD PRO 6 -16.729 -9.723 2.237 46 HD3 PRO 6 2HD PRO 6 -16.159 -10.598 0.787 47 H ILE 7 H ILE 7 -11.446 -9.740 3.489 48 HA ILE 7 HA ILE 7 -12.243 -9.274 6.198 49 HB ILE 7 HB ILE 7 -9.638 -8.530 4.831 50 HG12 ILE 7 1HG1 ILE 7 -10.009 -11.023 6.554 51 HG13 ILE 7 2HG1 ILE 7 -10.268 -11.075 4.828 52 HG21 ILE 7 1HG2 ILE 7 -10.125 -9.095 7.803 53 HG22 ILE 7 2HG2 ILE 7 -8.679 -8.389 7.037 54 HG23 ILE 7 3HG2 ILE 7 -10.181 -7.471 7.122 55 HD11 ILE 7 3HD1 ILE 7 -7.977 -10.271 4.388 56 HD12 ILE 7 1HD1 ILE 7 -7.658 -10.241 6.140 57 HD13 ILE 7 2HD1 ILE 7 -8.005 -11.777 5.325 58 H ASP 8 H ASP 8 -13.992 -7.911 5.700 59 HA ASP 8 HA ASP 8 -15.147 -6.036 5.435 60 HB2 ASP 8 1HB ASP 8 -13.028 -5.595 7.404 61 HB3 ASP 8 2HB ASP 8 -13.606 -4.089 6.757 62 H LEU 9 H LEU 9 -13.173 -6.575 3.309 63 HA LEU 9 HA LEU 9 -11.936 -4.150 2.568 64 HB2 LEU 9 1HB LEU 9 -12.356 -6.811 1.192 65 HB3 LEU 9 2HB LEU 9 -11.773 -5.447 0.256 66 HG LEU 9 HG LEU 9 -10.347 -6.773 2.582 67 HD11 LEU 9 1HD1 LEU 9 -8.698 -7.186 0.775 68 HD12 LEU 9 2HD1 LEU 9 -10.298 -7.845 0.359 69 HD13 LEU 9 3HD1 LEU 9 -9.767 -6.307 -0.356 70 HD21 LEU 9 3HD2 LEU 9 -9.826 -4.403 2.843 71 HD22 LEU 9 1HD2 LEU 9 -8.460 -5.188 2.070 72 HD23 LEU 9 2HD2 LEU 9 -9.584 -4.217 1.091 73 H VAL 10 H VAL 10 -12.290 -2.682 1.159 74 HA VAL 10 HA VAL 10 -14.857 -2.543 -0.282 75 HB VAL 10 HB VAL 10 -15.182 -0.287 0.755 76 HG11 VAL 10 1HG1 VAL 10 -16.602 -2.316 1.142 77 HG12 VAL 10 2HG1 VAL 10 -15.572 -2.775 2.495 78 HG13 VAL 10 3HG1 VAL 10 -16.485 -1.272 2.573 79 HG21 VAL 10 3HG2 VAL 10 -12.995 -0.301 1.950 80 HG22 VAL 10 1HG2 VAL 10 -14.392 0.042 2.991 81 HG23 VAL 10 2HG2 VAL 10 -13.584 -1.533 3.038 82 HA PRO 11 HA PRO 11 -11.806 -0.949 -3.096 83 HB2 PRO 11 1HB PRO 11 -13.482 -0.366 -5.183 84 HB3 PRO 11 2HB PRO 11 -12.758 -1.949 -4.834 85 HG2 PRO 11 1HG PRO 11 -15.577 -1.109 -4.391 86 HG3 PRO 11 2HG PRO 11 -14.912 -2.735 -4.656 87 HD2 PRO 11 1HD PRO 11 -15.655 -1.620 -2.161 88 HD3 PRO 11 2HD PRO 11 -14.701 -3.086 -2.390 89 H THR 12 H THR 12 -11.077 1.135 -3.432 90 HA THR 12 HA THR 12 -12.903 3.379 -3.188 91 HB THR 12 HB THR 12 -12.098 2.989 -0.906 92 HG1 THR 12 1HG THR 12 -12.618 5.076 -1.795 93 HG21 THR 12 3HG2 THR 12 -9.786 3.579 -0.289 94 HG22 THR 12 1HG2 THR 12 -9.814 2.148 -1.324 95 HG23 THR 12 2HG2 THR 12 -9.335 3.728 -1.997 96 H GLN 13 H GLN 13 -10.948 5.377 -3.502 97 HA GLN 13 HA GLN 13 -9.200 4.669 -5.699 98 HB2 GLN 13 1HB GLN 13 -11.910 5.631 -6.240 99 HB3 GLN 13 2HB GLN 13 -10.794 6.734 -6.907 100 HG2 GLN 13 1HG GLN 13 -9.902 5.118 -8.409 101 HG3 GLN 13 2HG GLN 13 -10.338 3.774 -7.363 102 HE21 GLN 13 1HE2 GLN 13 -11.794 6.166 -9.733 103 HE22 GLN 13 2HE2 GLN 13 -13.104 5.055 -10.085 104 HA PRO 14 HA PRO 14 -7.058 8.118 -4.252 105 HB2 PRO 14 1HB PRO 14 -5.904 9.343 -6.404 106 HB3 PRO 14 2HB PRO 14 -5.497 7.682 -5.886 107 HG2 PRO 14 1HG PRO 14 -7.243 8.559 -8.159 108 HG3 PRO 14 2HG PRO 14 -6.127 7.177 -8.093 109 HD2 PRO 14 1HD PRO 14 -8.928 7.059 -7.652 110 HD3 PRO 14 2HD PRO 14 -7.787 5.797 -7.166 111 H LEU 15 H LEU 15 -6.938 10.367 -3.976 112 HA LEU 15 HA LEU 15 -9.411 11.888 -4.227 113 HB2 LEU 15 1HB LEU 15 -6.569 12.439 -3.338 114 HB3 LEU 15 2HB LEU 15 -7.744 13.716 -3.467 115 HG LEU 15 HG LEU 15 -7.162 12.231 -1.212 116 HD11 LEU 15 1HD1 LEU 15 -9.660 13.782 -1.901 117 HD12 LEU 15 2HD1 LEU 15 -9.173 13.359 -0.240 118 HD13 LEU 15 3HD1 LEU 15 -8.162 14.429 -1.219 119 HD21 LEU 15 3HD2 LEU 15 -9.128 10.962 -0.542 120 HD22 LEU 15 1HD2 LEU 15 -9.861 11.167 -2.139 121 HD23 LEU 15 2HD2 LEU 15 -8.364 10.217 -1.945 122 HA PRO 16 HA PRO 16 -8.564 13.819 -8.136 123 HB2 PRO 16 1HB PRO 16 -9.671 16.296 -7.784 124 HB3 PRO 16 2HB PRO 16 -10.664 14.825 -7.946 125 HG2 PRO 16 1HG PRO 16 -9.820 16.206 -5.374 126 HG3 PRO 16 2HG PRO 16 -11.449 15.612 -5.835 127 HD2 PRO 16 1HD PRO 16 -9.732 14.242 -4.248 128 HD3 PRO 16 2HD PRO 16 -10.839 13.398 -5.348 129 H ASN 17 H ASN 17 -6.944 15.208 -8.952 130 HA ASN 17 HA ASN 17 -5.096 16.493 -9.032 131 HB2 ASN 17 1HB ASN 17 -5.480 17.781 -6.391 132 HB3 ASN 17 2HB ASN 17 -4.970 18.470 -7.918 133 HD21 ASN 17 1HD2 ASN 17 -7.728 17.390 -5.992 134 HD22 ASN 17 2HD2 ASN 17 -8.901 18.475 -6.735 135 H ALA 18 H ALA 18 -5.400 14.139 -6.766 136 HA ALA 18 HA ALA 18 -3.537 14.572 -4.805 137 HB1 ALA 18 1HB ALA 18 -5.059 12.642 -4.849 138 HB2 ALA 18 2HB ALA 18 -4.116 11.891 -6.144 139 HB3 ALA 18 3HB ALA 18 -3.400 12.114 -4.532 140 H SER 19 H SER 19 -1.250 13.969 -4.389 141 HA SER 19 HA SER 19 0.406 13.473 -6.719 142 HB2 SER 19 1HB SER 19 1.652 15.621 -6.310 143 HB3 SER 19 2HB SER 19 0.082 15.766 -7.095 144 HG SER 19 HG SER 19 0.968 16.802 -4.731 145 H PHE 20 H PHE 20 2.352 12.645 -6.066 146 HA PHE 20 HA PHE 20 2.563 11.720 -3.413 147 HB2 PHE 20 1HB PHE 20 3.695 10.609 -5.350 148 HB3 PHE 20 2HB PHE 20 4.640 12.053 -5.645 149 HD1 PHE 20 2HD PHE 20 3.883 9.861 -2.644 150 HD2 PHE 20 1HD PHE 20 6.889 11.889 -5.006 151 HE1 PHE 20 2HE PHE 20 5.618 9.211 -1.013 152 HE2 PHE 20 1HE PHE 20 8.616 11.195 -3.383 153 HZ PHE 20 HZ PHE 20 7.969 9.903 -1.356 154 H ASP 21 H ASP 21 4.376 12.325 -1.856 155 HA ASP 21 HA ASP 21 5.355 15.038 -2.027 156 HB2 ASP 21 1HB ASP 21 3.073 15.247 -0.985 157 HB3 ASP 21 2HB ASP 21 3.546 14.093 0.266 158 H ASN 22 H ASN 22 7.021 15.213 -0.343 159 HA ASN 22 HA ASN 22 8.844 13.122 -0.229 160 HB2 ASN 22 1HB ASN 22 9.478 15.374 -0.194 161 HB3 ASN 22 2HB ASN 22 8.584 15.746 1.270 162 HD21 ASN 22 1HD2 ASN 22 11.440 13.534 0.355 163 HD22 ASN 22 2HD2 ASN 22 12.129 14.417 1.746 164 H PHE 23 H PHE 23 6.185 12.471 1.305 165 HA PHE 23 HA PHE 23 7.182 11.586 3.896 166 HB2 PHE 23 1HB PHE 23 5.265 10.243 4.080 167 HB3 PHE 23 2HB PHE 23 4.755 11.831 3.534 168 HD1 PHE 23 2HD PHE 23 5.167 8.249 2.592 169 HD2 PHE 23 1HD PHE 23 3.604 12.091 1.393 170 HE1 PHE 23 2HE PHE 23 3.797 7.153 0.857 171 HE2 PHE 23 1HE PHE 23 2.223 10.988 -0.323 172 HZ PHE 23 HZ PHE 23 2.320 8.486 -0.597 173 H LYS 24 H LYS 24 8.249 9.810 4.292 174 HA LYS 24 HA LYS 24 9.008 7.908 2.129 175 HB2 LYS 24 1HB LYS 24 10.793 8.644 3.558 176 HB3 LYS 24 2HB LYS 24 9.877 8.359 4.993 177 HG2 LYS 24 1HG LYS 24 10.034 5.889 4.504 178 HG3 LYS 24 2HG LYS 24 10.978 6.282 3.054 179 HD2 LYS 24 1HD LYS 24 12.570 7.511 4.762 180 HD3 LYS 24 2HD LYS 24 11.684 6.579 5.989 181 HE2 LYS 24 1HE LYS 24 12.198 4.499 4.565 182 HE3 LYS 24 2HE LYS 24 13.327 5.531 3.661 183 HZ1 LYS 24 3HZ LYS 24 14.471 4.368 5.399 184 HZ2 LYS 24 1HZ LYS 24 14.442 5.969 5.846 185 HZ3 LYS 24 2HZ LYS 24 13.459 4.905 6.556 186 H LEU 25 H LEU 25 8.404 5.764 2.466 187 HA LEU 25 HA LEU 25 6.462 5.234 4.670 188 HB2 LEU 25 1HB LEU 25 5.528 3.361 3.172 189 HB3 LEU 25 2HB LEU 25 4.981 5.017 2.996 190 HG LEU 25 HG LEU 25 6.525 5.224 1.000 191 HD11 LEU 25 1HD1 LEU 25 7.302 3.208 -0.080 192 HD12 LEU 25 2HD1 LEU 25 7.946 3.173 1.551 193 HD13 LEU 25 3HD1 LEU 25 6.542 2.168 1.140 194 HD21 LEU 25 3HD2 LEU 25 4.328 3.125 0.847 195 HD22 LEU 25 1HD2 LEU 25 4.093 4.883 0.813 196 HD23 LEU 25 2HD2 LEU 25 4.991 4.100 -0.489 197 H THR 26 H THR 26 6.728 3.318 5.762 198 HA THR 26 HA THR 26 9.242 1.838 5.232 199 HB THR 26 HB THR 26 9.919 1.916 7.483 200 HG1 THR 26 1HG THR 26 7.672 3.488 8.134 201 HG21 THR 26 3HG2 THR 26 10.391 4.239 7.931 202 HG22 THR 26 1HG2 THR 26 10.490 3.974 6.183 203 HG23 THR 26 2HG2 THR 26 9.076 4.785 6.884 204 H CYS 27 H CYS 27 9.223 -0.235 6.715 205 HA CYS 27 HA CYS 27 6.882 -1.328 7.786 206 HB2 CYS 27 1HB CYS 27 6.165 -1.500 5.384 207 HB3 CYS 27 2HB CYS 27 7.647 -2.341 5.017 208 HG CYS 27 HG CYS 27 5.201 -3.206 7.081 209 H SER 28 H SER 28 7.419 -3.584 8.483 210 HA SER 28 HA SER 28 9.949 -3.791 9.611 211 HB2 SER 28 1HB SER 28 7.692 -5.041 10.092 212 HB3 SER 28 2HB SER 28 8.358 -6.253 8.985 213 HG SER 28 HG SER 28 9.175 -6.871 10.873 214 H ASN 29 H ASN 29 8.760 -5.402 6.631 215 HA ASN 29 HA ASN 29 11.488 -6.427 6.041 216 HB2 ASN 29 1HB ASN 29 9.538 -7.868 5.496 217 HB3 ASN 29 2HB ASN 29 8.981 -6.650 4.330 218 HD21 ASN 29 1HD2 ASN 29 9.485 -9.174 3.366 219 HD22 ASN 29 2HD2 ASN 29 10.975 -9.220 2.456 220 H THR 30 H THR 30 12.829 -4.726 5.505 221 HA THR 30 HA THR 30 11.959 -2.295 4.492 222 HB THR 30 HB THR 30 14.553 -2.373 3.616 223 HG1 THR 30 1HG THR 30 14.674 -4.626 4.480 224 HG21 THR 30 3HG2 THR 30 13.577 -0.754 5.175 225 HG22 THR 30 1HG2 THR 30 13.568 -1.973 6.473 226 HG23 THR 30 2HG2 THR 30 15.113 -1.377 5.808 227 H LYS 31 H LYS 31 12.781 -5.193 2.535 228 HA LYS 31 HA LYS 31 13.005 -3.959 0.018 229 HB2 LYS 31 1HB LYS 31 13.282 -6.345 0.082 230 HB3 LYS 31 2HB LYS 31 11.705 -6.593 0.814 231 HG2 LYS 31 1HG LYS 31 11.678 -7.326 -1.489 232 HG3 LYS 31 2HG LYS 31 10.572 -5.996 -1.276 233 HD2 LYS 31 1HD LYS 31 11.628 -5.620 -3.364 234 HD3 LYS 31 2HD LYS 31 12.377 -4.464 -2.260 235 HE2 LYS 31 1HE LYS 31 14.231 -6.149 -1.903 236 HE3 LYS 31 2HE LYS 31 13.543 -7.110 -3.210 237 HZ1 LYS 31 3HZ LYS 31 14.192 -5.538 -4.754 238 HZ2 LYS 31 1HZ LYS 31 14.161 -4.286 -3.695 239 HZ3 LYS 31 2HZ LYS 31 15.391 -5.403 -3.636 240 H PHE 32 H PHE 32 10.042 -4.762 1.846 241 HA PHE 32 HA PHE 32 8.185 -4.263 -0.186 242 HB2 PHE 32 1HB PHE 32 7.935 -5.241 2.241 243 HB3 PHE 32 2HB PHE 32 7.795 -3.559 2.746 244 HD1 PHE 32 2HD PHE 32 6.511 -5.678 -0.071 245 HD2 PHE 32 1HD PHE 32 5.474 -2.956 3.104 246 HE1 PHE 32 2HE PHE 32 4.140 -5.818 -0.748 247 HE2 PHE 32 1HE PHE 32 3.085 -3.142 2.456 248 HZ PHE 32 HZ PHE 32 2.415 -4.558 0.524 249 H ALA 33 H ALA 33 9.400 -2.085 2.333 250 HA ALA 33 HA ALA 33 7.952 0.232 1.433 251 HB1 ALA 33 1HB ALA 33 9.501 1.391 3.005 252 HB2 ALA 33 2HB ALA 33 8.742 -0.043 3.748 253 HB3 ALA 33 3HB ALA 33 10.435 -0.099 3.193 254 H ASP 34 H ASP 34 11.170 -1.107 0.772 255 HA ASP 34 HA ASP 34 12.092 1.422 -0.328 256 HB2 ASP 34 1HB ASP 34 13.513 -0.613 0.692 257 HB3 ASP 34 2HB ASP 34 13.671 -1.028 -1.021 258 H ASP 35 H ASP 35 10.852 -1.548 -1.699 259 HA ASP 35 HA ASP 35 11.167 -1.039 -4.510 260 HB2 ASP 35 1HB ASP 35 10.599 -3.190 -3.201 261 HB3 ASP 35 2HB ASP 35 8.952 -2.592 -3.160 262 H LEU 36 H LEU 36 8.489 -0.426 -2.209 263 HA LEU 36 HA LEU 36 6.846 0.987 -4.066 264 HB2 LEU 36 1HB LEU 36 7.061 0.988 -1.044 265 HB3 LEU 36 2HB LEU 36 5.858 1.945 -1.887 266 HG LEU 36 HG LEU 36 6.101 -1.082 -2.126 267 HD11 LEU 36 1HD1 LEU 36 4.359 0.732 -0.423 268 HD12 LEU 36 2HD1 LEU 36 4.021 -0.992 -0.654 269 HD13 LEU 36 3HD1 LEU 36 5.525 -0.493 0.138 270 HD21 LEU 36 3HD2 LEU 36 4.972 0.071 -4.080 271 HD22 LEU 36 1HD2 LEU 36 3.973 -1.046 -3.190 272 HD23 LEU 36 2HD2 LEU 36 3.766 0.701 -2.932 273 H ASN 37 H ASN 37 9.265 2.210 -1.690 274 HA ASN 37 HA ASN 37 8.844 4.973 -2.246 275 HB2 ASN 37 1HB ASN 37 11.112 3.306 -1.126 276 HB3 ASN 37 2HB ASN 37 11.364 4.971 -1.506 277 HD21 ASN 37 1HD2 ASN 37 10.885 3.086 0.998 278 HD22 ASN 37 2HD2 ASN 37 10.002 4.094 2.098 279 H GLN 38 H GLN 38 10.564 2.437 -4.019 280 HA GLN 38 HA GLN 38 12.162 4.168 -5.676 281 HB2 GLN 38 1HB GLN 38 11.811 1.345 -5.234 282 HB3 GLN 38 2HB GLN 38 11.539 1.636 -6.922 283 HG2 GLN 38 1HG GLN 38 13.973 2.871 -5.614 284 HG3 GLN 38 2HG GLN 38 13.931 1.142 -5.886 285 HE21 GLN 38 1HE2 GLN 38 12.685 3.846 -8.083 286 HE22 GLN 38 2HE2 GLN 38 13.625 3.231 -9.419 287 H MET 39 H MET 39 8.746 3.158 -5.697 288 HA MET 39 HA MET 39 8.450 3.826 -8.500 289 HB2 MET 39 1HB MET 39 6.457 3.075 -6.335 290 HB3 MET 39 2HB MET 39 6.076 3.249 -8.050 291 HG2 MET 39 1HG MET 39 7.229 1.323 -8.662 292 HG3 MET 39 2HG MET 39 8.297 1.370 -7.275 293 HE1 MET 39 3HE MET 39 3.863 0.204 -6.712 294 HE2 MET 39 1HE MET 39 4.508 1.846 -6.973 295 HE3 MET 39 2HE MET 39 4.546 0.692 -8.296 296 H THR 40 H THR 40 7.549 5.260 -5.275 297 HA THR 40 HA THR 40 6.190 7.494 -6.422 298 HB THR 40 HB THR 40 6.576 8.467 -4.138 299 HG1 THR 40 1HG THR 40 7.430 7.054 -2.563 300 HG21 THR 40 3HG2 THR 40 5.553 5.608 -4.060 301 HG22 THR 40 1HG2 THR 40 5.092 6.943 -2.985 302 HG23 THR 40 2HG2 THR 40 4.616 6.985 -4.699 303 H GLY 41 H GLY 41 9.599 6.827 -5.975 304 HA2 GLY 41 1HA GLY 41 11.392 8.062 -6.920 305 HA3 GLY 41 2HA GLY 41 10.342 9.473 -7.108 306 H PHE 42 H PHE 42 10.054 7.839 -4.083 307 HA PHE 42 HA PHE 42 10.453 10.056 -2.491 308 HB2 PHE 42 1HB PHE 42 9.399 8.216 -1.490 309 HB3 PHE 42 2HB PHE 42 10.642 7.093 -1.999 310 HD1 PHE 42 2HD PHE 42 10.205 10.134 0.250 311 HD2 PHE 42 1HD PHE 42 12.396 6.469 -0.535 312 HE1 PHE 42 2HE PHE 42 11.717 10.621 2.050 313 HE2 PHE 42 1HE PHE 42 13.712 6.827 1.508 314 HZ PHE 42 HZ PHE 42 13.366 8.881 2.827 315 H THR 43 H THR 43 12.101 11.183 -1.703 316 HA THR 43 HA THR 43 14.809 10.031 -1.512 317 HB THR 43 HB THR 43 13.837 12.568 -2.935 318 HG1 THR 43 1HG THR 43 13.883 10.808 -4.259 319 HG21 THR 43 3HG2 THR 43 16.150 13.167 -3.386 320 HG22 THR 43 1HG2 THR 43 15.813 13.215 -1.673 321 HG23 THR 43 2HG2 THR 43 16.736 11.839 -2.334 322 H LYS 44 H LYS 44 16.050 10.831 0.109 323 HA LYS 44 HA LYS 44 14.528 12.088 2.272 324 HB2 LYS 44 1HB LYS 44 16.982 10.382 1.993 325 HB3 LYS 44 2HB LYS 44 17.131 11.617 3.211 326 HG2 LYS 44 1HG LYS 44 15.693 10.634 4.625 327 HG3 LYS 44 2HG LYS 44 14.567 10.329 3.328 328 HD2 LYS 44 1HD LYS 44 15.109 8.211 4.206 329 HD3 LYS 44 2HD LYS 44 15.926 8.325 2.650 330 HE2 LYS 44 1HE LYS 44 17.398 7.272 4.245 331 HE3 LYS 44 2HE LYS 44 18.064 8.852 3.842 332 HZ1 LYS 44 3HZ LYS 44 17.387 9.680 5.945 333 HZ2 LYS 44 1HZ LYS 44 16.393 8.394 6.239 334 HZ3 LYS 44 2HZ LYS 44 18.013 8.202 6.275 335 HA PRO 45 HA PRO 45 15.720 12.836 4.298 336 HB2 PRO 45 1HB PRO 45 15.026 15.004 5.673 337 HB3 PRO 45 2HB PRO 45 16.748 14.555 5.418 338 HG2 PRO 45 1HG PRO 45 15.143 16.630 3.916 339 HG3 PRO 45 2HG PRO 45 16.814 16.762 4.562 340 HD2 PRO 45 1HD PRO 45 16.273 16.112 1.939 341 HD3 PRO 45 2HD PRO 45 17.692 15.461 2.811 342 H ALA 46 H ALA 46 13.655 12.092 4.862 343 HA ALA 46 HA ALA 46 11.478 12.924 3.106 344 HB1 ALA 46 1HB ALA 46 10.307 11.094 4.075 345 HB2 ALA 46 2HB ALA 46 11.990 10.544 4.176 346 HB3 ALA 46 3HB ALA 46 11.189 11.184 5.611 347 H SER 47 H SER 47 9.564 13.924 3.794 348 HA SER 47 HA SER 47 9.666 15.850 5.897 349 HB2 SER 47 1HB SER 47 8.438 16.429 3.997 350 HB3 SER 47 2HB SER 47 7.593 14.883 3.906 351 HG SER 47 HG SER 47 6.278 16.589 4.661 352 H ARG 48 H ARG 48 7.954 12.683 5.582 353 HA ARG 48 HA ARG 48 7.962 12.406 8.486 354 HB2 ARG 48 1HB ARG 48 5.589 12.006 8.708 355 HB3 ARG 48 2HB ARG 48 5.883 13.608 8.065 356 HG2 ARG 48 1HG ARG 48 4.117 12.988 6.764 357 HG3 ARG 48 2HG ARG 48 5.435 12.510 5.714 358 HD2 ARG 48 1HD ARG 48 3.761 10.762 5.719 359 HD3 ARG 48 2HD ARG 48 5.168 10.140 6.582 360 HE ARG 48 HE ARG 48 3.913 10.026 8.539 361 HH11 ARG 48 2HH2 ARG 48 1.990 11.843 6.092 362 HH12 ARG 48 1HH2 ARG 48 0.591 11.815 7.108 363 HH21 ARG 48 2HH1 ARG 48 2.098 10.180 9.845 364 HH22 ARG 48 1HH1 ARG 48 0.691 11.020 9.308 365 H GLU 49 H GLU 49 7.055 10.108 9.018 366 HA GLU 49 HA GLU 49 7.903 8.217 6.869 367 HB2 GLU 49 1HB GLU 49 8.926 8.435 9.720 368 HB3 GLU 49 2HB GLU 49 8.926 6.887 8.827 369 HG2 GLU 49 1HG GLU 49 10.137 7.900 6.990 370 HG3 GLU 49 2HG GLU 49 10.185 9.459 7.797 371 H LEU 50 H LEU 50 6.100 7.335 6.337 372 HA LEU 50 HA LEU 50 4.004 6.510 8.268 373 HB2 LEU 50 1HB LEU 50 4.487 5.752 5.354 374 HB3 LEU 50 2HB LEU 50 3.079 5.264 6.298 375 HG LEU 50 HG LEU 50 3.802 8.173 5.706 376 HD11 LEU 50 1HD1 LEU 50 1.746 6.392 4.332 377 HD12 LEU 50 2HD1 LEU 50 2.057 8.111 4.009 378 HD13 LEU 50 3HD1 LEU 50 3.307 6.916 3.639 379 HD21 LEU 50 3HD2 LEU 50 2.369 7.886 7.715 380 HD22 LEU 50 1HD2 LEU 50 1.450 8.589 6.386 381 HD23 LEU 50 2HD2 LEU 50 1.257 6.873 6.777 382 H SER 51 H SER 51 3.490 4.096 8.411 383 HA SER 51 HA SER 51 5.775 2.306 8.041 384 HB2 SER 51 1HB SER 51 5.768 3.330 10.417 385 HB3 SER 51 2HB SER 51 4.256 2.429 10.665 386 HG SER 51 HG SER 51 6.755 1.631 10.912 387 H VAL 52 H VAL 52 5.019 0.120 7.618 388 HA VAL 52 HA VAL 52 2.052 -0.142 7.494 389 HB VAL 52 HB VAL 52 4.152 -0.928 5.453 390 HG11 VAL 52 1HG1 VAL 52 2.255 -1.872 4.110 391 HG12 VAL 52 2HG1 VAL 52 2.651 -2.828 5.530 392 HG13 VAL 52 3HG1 VAL 52 1.229 -1.766 5.549 393 HG21 VAL 52 3HG2 VAL 52 2.767 1.423 5.667 394 HG22 VAL 52 1HG2 VAL 52 3.329 0.746 4.144 395 HG23 VAL 52 2HG2 VAL 52 1.672 0.487 4.679 396 H THR 53 H THR 53 1.209 -2.144 8.036 397 HA THR 53 HA THR 53 3.105 -4.178 9.066 398 HB THR 53 HB THR 53 1.306 -4.557 10.793 399 HG1 THR 53 1HG THR 53 -0.391 -3.483 10.192 400 HG21 THR 53 3HG2 THR 53 2.086 -2.734 12.243 401 HG22 THR 53 1HG2 THR 53 3.423 -3.424 11.302 402 HG23 THR 53 2HG2 THR 53 2.739 -1.864 10.836 403 H PHE 54 H PHE 54 2.484 -6.287 8.821 404 HA PHE 54 HA PHE 54 0.620 -6.849 6.590 405 HB2 PHE 54 1HB PHE 54 2.595 -8.657 8.059 406 HB3 PHE 54 2HB PHE 54 1.722 -9.029 6.571 407 HD1 PHE 54 2HD PHE 54 2.058 -7.145 4.678 408 HD2 PHE 54 1HD PHE 54 4.860 -8.055 7.807 409 HE1 PHE 54 2HE PHE 54 3.918 -6.169 3.303 410 HE2 PHE 54 1HE PHE 54 6.712 -7.175 6.431 411 HZ PHE 54 HZ PHE 54 6.234 -6.195 4.180 412 H PHE 55 H PHE 55 -1.360 -7.699 7.053 413 HA PHE 55 HA PHE 55 -2.412 -7.833 9.561 414 HB2 PHE 55 1HB PHE 55 -3.261 -8.388 6.932 415 HB3 PHE 55 2HB PHE 55 -3.627 -9.833 7.817 416 HD1 PHE 55 2HD PHE 55 -3.948 -6.099 8.349 417 HD2 PHE 55 1HD PHE 55 -5.805 -9.990 8.635 418 HE1 PHE 55 2HE PHE 55 -6.057 -5.057 9.117 419 HE2 PHE 55 1HE PHE 55 -7.893 -8.930 9.407 420 HZ PHE 55 HZ PHE 55 -8.036 -6.469 9.637 421 HA PRO 56 HA PRO 56 -3.845 -8.871 10.830 422 HB2 PRO 56 1HB PRO 56 -4.359 -10.056 13.204 423 HB3 PRO 56 2HB PRO 56 -4.831 -10.834 11.669 424 HG2 PRO 56 1HG PRO 56 -2.406 -11.436 13.399 425 HG3 PRO 56 2HG PRO 56 -3.505 -12.585 12.600 426 HD2 PRO 56 1HD PRO 56 -1.049 -11.672 11.576 427 HD3 PRO 56 2HD PRO 56 -2.347 -12.396 10.591 428 H ASP 57 H ASP 57 -2.401 -7.035 10.997 429 HA ASP 57 HA ASP 57 -1.702 -6.167 13.603 430 HB2 ASP 57 1HB ASP 57 0.330 -7.493 13.200 431 HB3 ASP 57 2HB ASP 57 0.469 -6.819 11.588 432 H LEU 58 H LEU 58 -2.517 -4.201 13.340 433 HA LEU 58 HA LEU 58 -2.161 -2.711 10.808 434 HB2 LEU 58 1HB LEU 58 -4.447 -1.785 11.154 435 HB3 LEU 58 2HB LEU 58 -4.346 -3.415 10.532 436 HG LEU 58 HG LEU 58 -4.780 -3.017 13.501 437 HD11 LEU 58 1HD1 LEU 58 -6.918 -2.872 11.337 438 HD12 LEU 58 2HD1 LEU 58 -7.220 -3.019 13.077 439 HD13 LEU 58 3HD1 LEU 58 -6.430 -1.562 12.447 440 HD21 LEU 58 3HD2 LEU 58 -5.727 -5.133 11.476 441 HD22 LEU 58 1HD2 LEU 58 -4.467 -5.380 12.674 442 HD23 LEU 58 2HD2 LEU 58 -6.129 -5.129 13.199 443 H ASN 59 H ASN 59 -0.551 -2.795 13.199 444 HA ASN 59 HA ASN 59 -1.180 -0.376 14.737 445 HB2 ASN 59 1HB ASN 59 1.235 -2.251 14.780 446 HB3 ASN 59 2HB ASN 59 0.986 -0.901 15.855 447 HD21 ASN 59 1HD2 ASN 59 -0.285 -3.949 14.888 448 HD22 ASN 59 2HD2 ASN 59 -0.902 -4.425 16.470 449 H GLY 60 H GLY 60 0.462 -1.162 11.839 450 HA2 GLY 60 1HA GLY 60 2.293 1.136 11.791 451 HA3 GLY 60 2HA GLY 60 1.713 0.195 10.390 452 H ASP 61 H ASP 61 1.822 3.028 10.385 453 HA ASP 61 HA ASP 61 -0.646 4.407 10.749 454 HB2 ASP 61 1HB ASP 61 1.685 4.589 8.806 455 HB3 ASP 61 2HB ASP 61 0.185 5.408 8.401 456 H VAL 62 H VAL 62 0.574 2.275 8.216 457 HA VAL 62 HA VAL 62 -2.074 2.200 6.854 458 HB VAL 62 HB VAL 62 0.789 2.200 5.847 459 HG11 VAL 62 1HG1 VAL 62 0.080 2.221 3.597 460 HG12 VAL 62 2HG1 VAL 62 -0.622 0.794 4.353 461 HG13 VAL 62 3HG1 VAL 62 -1.639 2.188 4.019 462 HG21 VAL 62 3HG2 VAL 62 0.207 4.318 4.664 463 HG22 VAL 62 1HG2 VAL 62 -1.310 4.362 5.595 464 HG23 VAL 62 2HG2 VAL 62 0.260 4.432 6.409 465 H VAL 63 H VAL 63 -2.413 0.051 5.688 466 HA VAL 63 HA VAL 63 -1.220 -2.167 7.287 467 HB VAL 63 HB VAL 63 -4.087 -1.863 6.326 468 HG11 VAL 63 1HG1 VAL 63 -2.805 -3.706 8.386 469 HG12 VAL 63 2HG1 VAL 63 -4.553 -3.545 8.103 470 HG13 VAL 63 3HG1 VAL 63 -3.527 -4.177 6.828 471 HG21 VAL 63 3HG2 VAL 63 -2.964 -1.125 9.065 472 HG22 VAL 63 1HG2 VAL 63 -3.759 -0.025 7.935 473 HG23 VAL 63 2HG2 VAL 63 -4.691 -1.293 8.693 474 H ALA 64 H ALA 64 -1.501 -4.340 6.138 475 HA ALA 64 HA ALA 64 -1.606 -4.254 3.180 476 HB1 ALA 64 1HB ALA 64 0.603 -5.463 4.877 477 HB2 ALA 64 2HB ALA 64 0.386 -5.745 3.131 478 HB3 ALA 64 3HB ALA 64 0.771 -4.122 3.739 479 H ILE 65 H ILE 65 -2.346 -6.195 2.279 480 HA ILE 65 HA ILE 65 -3.603 -8.097 4.136 481 HB ILE 65 HB ILE 65 -4.784 -6.636 1.771 482 HG12 ILE 65 1HG1 ILE 65 -4.800 -5.419 3.955 483 HG13 ILE 65 2HG1 ILE 65 -6.396 -5.745 3.320 484 HG21 ILE 65 1HG2 ILE 65 -5.589 -8.901 1.563 485 HG22 ILE 65 2HG2 ILE 65 -6.011 -8.984 3.280 486 HG23 ILE 65 3HG2 ILE 65 -6.896 -7.890 2.190 487 HD11 ILE 65 3HD1 ILE 65 -6.233 -6.046 5.780 488 HD12 ILE 65 1HD1 ILE 65 -6.734 -7.543 4.974 489 HD13 ILE 65 2HD1 ILE 65 -5.059 -7.349 5.554 490 H ASP 66 H ASP 66 -3.787 -10.268 3.250 491 HA ASP 66 HA ASP 66 -1.623 -11.053 1.547 492 HB2 ASP 66 1HB ASP 66 -2.506 -12.453 3.372 493 HB3 ASP 66 2HB ASP 66 -4.053 -12.605 2.529 494 H TYR 67 H TYR 67 -1.606 -11.658 -0.521 495 HA TYR 67 HA TYR 67 -3.182 -10.297 -2.393 496 HB2 TYR 67 1HB TYR 67 -0.908 -10.827 -2.838 497 HB3 TYR 67 2HB TYR 67 -1.138 -12.543 -2.588 498 HD1 TYR 67 2HD TYR 67 -1.850 -9.733 -4.872 499 HD2 TYR 67 1HD TYR 67 -1.857 -14.007 -4.390 500 HE1 TYR 67 2HE TYR 67 -2.006 -9.992 -7.329 501 HE2 TYR 67 1HE TYR 67 -2.087 -14.298 -6.833 502 HH TYR 67 HH TYR 67 -1.736 -13.148 -8.897 503 H ARG 68 H ARG 68 -3.959 -13.477 -0.938 504 HA ARG 68 HA ARG 68 -5.476 -14.533 -3.069 505 HB2 ARG 68 1HB ARG 68 -6.581 -15.807 -1.366 506 HB3 ARG 68 2HB ARG 68 -4.882 -15.658 -0.904 507 HG2 ARG 68 1HG ARG 68 -5.511 -13.788 0.675 508 HG3 ARG 68 2HG ARG 68 -7.217 -14.037 0.236 509 HD2 ARG 68 1HD ARG 68 -7.075 -16.364 0.953 510 HD3 ARG 68 2HD ARG 68 -5.412 -16.149 1.476 511 HE ARG 68 HE ARG 68 -7.879 -14.999 2.698 512 HH11 ARG 68 2HH2 ARG 68 -4.355 -15.376 2.832 513 HH12 ARG 68 1HH2 ARG 68 -4.188 -14.814 4.445 514 HH21 ARG 68 2HH1 ARG 68 -7.701 -14.126 4.796 515 HH22 ARG 68 1HH1 ARG 68 -6.144 -13.895 5.536 516 H HIS 69 H HIS 69 -6.077 -11.711 -1.052 517 HA HIS 69 HA HIS 69 -8.938 -11.723 -1.754 518 HB2 HIS 69 1HB HIS 69 -7.268 -10.382 0.326 519 HB3 HIS 69 2HB HIS 69 -8.687 -9.526 -0.253 520 HD1 HIS 69 1HD HIS 69 -9.467 -13.188 -0.264 521 HD2 HIS 69 2HD HIS 69 -9.518 -9.887 2.359 522 HE1 HIS 69 1HE HIS 69 -11.005 -13.827 1.650 523 H TYR 70 H TYR 70 -6.294 -10.800 -3.520 524 HA TYR 70 HA TYR 70 -7.279 -8.248 -4.445 525 HB2 TYR 70 1HB TYR 70 -4.955 -8.747 -4.758 526 HB3 TYR 70 2HB TYR 70 -5.335 -10.238 -5.605 527 HD1 TYR 70 2HD TYR 70 -7.120 -6.971 -6.277 528 HD2 TYR 70 1HD TYR 70 -4.297 -9.921 -7.674 529 HE1 TYR 70 2HE TYR 70 -6.929 -5.769 -8.424 530 HE2 TYR 70 1HE TYR 70 -4.124 -8.745 -9.822 531 HH TYR 70 HH TYR 70 -5.153 -7.176 -11.178 532 H SER 71 H SER 71 -9.508 -8.740 -4.701 533 HA SER 71 HA SER 71 -10.110 -10.207 -7.182 534 HB2 SER 71 1HB SER 71 -11.396 -10.245 -4.763 535 HB3 SER 71 2HB SER 71 -12.324 -8.982 -5.573 536 HG SER 71 HG SER 71 -11.740 -11.594 -6.587 537 H ALA 72 H ALA 72 -11.811 -9.287 -8.600 538 HA ALA 72 HA ALA 72 -10.661 -6.968 -9.810 539 HB1 ALA 72 1HB ALA 72 -11.698 -8.847 -11.070 540 HB2 ALA 72 2HB ALA 72 -13.289 -8.390 -10.416 541 HB3 ALA 72 3HB ALA 72 -12.424 -7.277 -11.495 542 H SER 73 H SER 73 -13.314 -7.072 -7.418 543 HA SER 73 HA SER 73 -14.422 -4.555 -8.102 544 HB2 SER 73 1HB SER 73 -13.981 -5.321 -5.230 545 HB3 SER 73 2HB SER 73 -15.407 -4.616 -6.016 546 HG SER 73 HG SER 73 -15.745 -6.810 -5.483 547 H PHE 74 H PHE 74 -11.436 -5.499 -6.463 548 HA PHE 74 HA PHE 74 -10.828 -2.813 -5.503 549 HB2 PHE 74 1HB PHE 74 -9.061 -5.252 -5.314 550 HB3 PHE 74 2HB PHE 74 -9.154 -3.855 -4.270 551 HD1 PHE 74 1HD PHE 74 -12.014 -3.586 -3.531 552 HD2 PHE 74 2HD PHE 74 -9.616 -7.124 -4.006 553 HE1 PHE 74 1HE PHE 74 -13.558 -4.837 -2.045 554 HE2 PHE 74 2HE PHE 74 -11.227 -8.388 -2.574 555 HZ PHE 74 HZ PHE 74 -13.188 -7.233 -1.605 556 H LYS 75 H LYS 75 -10.940 -3.430 -8.498 557 HA LYS 75 HA LYS 75 -8.388 -3.814 -9.607 558 HB2 LYS 75 1HB LYS 75 -9.982 -4.275 -11.170 559 HB3 LYS 75 2HB LYS 75 -11.149 -3.220 -10.410 560 HG2 LYS 75 1HG LYS 75 -10.999 -2.368 -12.510 561 HG3 LYS 75 2HG LYS 75 -10.126 -1.263 -11.506 562 HD2 LYS 75 1HD LYS 75 -8.093 -2.914 -12.266 563 HD3 LYS 75 2HD LYS 75 -9.121 -3.032 -13.698 564 HE2 LYS 75 1HE LYS 75 -9.001 -0.624 -14.007 565 HE3 LYS 75 2HE LYS 75 -8.309 -0.414 -12.373 566 HZ1 LYS 75 3HZ LYS 75 -6.346 -1.539 -13.080 567 HZ2 LYS 75 1HZ LYS 75 -6.976 -1.838 -14.582 568 HZ3 LYS 75 2HZ LYS 75 -6.610 -0.311 -14.157 569 H LYS 76 H LYS 76 -9.827 -0.923 -8.323 570 HA LYS 76 HA LYS 76 -7.573 0.723 -9.400 571 HB2 LYS 76 1HB LYS 76 -10.367 1.594 -8.670 572 HB3 LYS 76 2HB LYS 76 -9.022 2.678 -9.071 573 HG2 LYS 76 1HG LYS 76 -8.840 1.425 -11.294 574 HG3 LYS 76 2HG LYS 76 -10.381 0.655 -10.838 575 HD2 LYS 76 1HD LYS 76 -11.461 2.747 -10.608 576 HD3 LYS 76 2HD LYS 76 -10.005 3.657 -11.056 577 HE2 LYS 76 1HE LYS 76 -10.024 2.630 -13.279 578 HE3 LYS 76 2HE LYS 76 -11.280 1.506 -12.781 579 HZ1 LYS 76 3HZ LYS 76 -11.615 4.458 -13.147 580 HZ2 LYS 76 1HZ LYS 76 -12.353 3.239 -13.976 581 HZ3 LYS 76 2HZ LYS 76 -12.740 3.508 -12.428 582 H GLY 77 H GLY 77 -7.875 -1.057 -6.891 583 HA2 GLY 77 1HA GLY 77 -6.534 -0.665 -4.921 584 HA3 GLY 77 2HA GLY 77 -7.158 0.981 -4.848 585 H ALA 78 H ALA 78 -7.354 -0.603 -2.647 586 HA ALA 78 HA ALA 78 -10.163 -0.398 -2.151 587 HB1 ALA 78 1HB ALA 78 -8.634 -3.000 -1.582 588 HB2 ALA 78 2HB ALA 78 -10.201 -2.587 -0.865 589 HB3 ALA 78 3HB ALA 78 -10.073 -2.791 -2.601 590 H LYS 79 H LYS 79 -10.361 -0.716 0.311 591 HA LYS 79 HA LYS 79 -7.949 -0.126 1.862 592 HB2 LYS 79 1HB LYS 79 -9.258 1.631 3.113 593 HB3 LYS 79 2HB LYS 79 -8.771 2.114 1.474 594 HG2 LYS 79 1HG LYS 79 -11.007 1.853 0.623 595 HG3 LYS 79 2HG LYS 79 -11.399 0.839 1.954 596 HD2 LYS 79 1HD LYS 79 -11.126 3.018 3.408 597 HD3 LYS 79 2HD LYS 79 -11.415 3.808 1.846 598 HE2 LYS 79 1HE LYS 79 -13.627 3.436 2.127 599 HE3 LYS 79 2HE LYS 79 -13.330 1.722 1.923 600 HZ1 LYS 79 3HZ LYS 79 -13.275 3.207 4.515 601 HZ2 LYS 79 1HZ LYS 79 -14.431 2.136 4.067 602 HZ3 LYS 79 2HZ LYS 79 -12.929 1.604 4.377 603 H LEU 80 H LEU 80 -8.764 -0.261 4.260 604 HA LEU 80 HA LEU 80 -10.459 -2.618 4.609 605 HB2 LEU 80 1HB LEU 80 -7.997 -2.247 5.585 606 HB3 LEU 80 2HB LEU 80 -8.770 -1.164 6.723 607 HG LEU 80 HG LEU 80 -10.208 -3.137 7.387 608 HD11 LEU 80 1HD1 LEU 80 -9.535 -5.406 6.786 609 HD12 LEU 80 2HD1 LEU 80 -9.976 -4.526 5.347 610 HD13 LEU 80 3HD1 LEU 80 -8.263 -4.778 5.712 611 HD21 LEU 80 3HD2 LEU 80 -7.192 -3.525 7.649 612 HD22 LEU 80 1HD2 LEU 80 -8.202 -2.471 8.677 613 HD23 LEU 80 2HD2 LEU 80 -8.440 -4.219 8.711 614 H LEU 81 H LEU 81 -11.475 -2.068 6.989 615 HA LEU 81 HA LEU 81 -13.809 -0.783 6.782 616 HB2 LEU 81 1HB LEU 81 -12.712 -2.062 8.760 617 HB3 LEU 81 2HB LEU 81 -12.201 -0.528 9.348 618 HG LEU 81 HG LEU 81 -14.167 -1.139 10.509 619 HD11 LEU 81 1HD1 LEU 81 -14.075 1.296 9.776 620 HD12 LEU 81 2HD1 LEU 81 -15.266 0.863 8.511 621 HD13 LEU 81 3HD1 LEU 81 -15.661 0.680 10.218 622 HD21 LEU 81 3HD2 LEU 81 -16.339 -1.625 9.426 623 HD22 LEU 81 1HD2 LEU 81 -15.570 -1.568 7.836 624 HD23 LEU 81 2HD2 LEU 81 -15.080 -2.798 9.023 625 H HIS 82 H HIS 82 -11.006 0.764 8.165 626 HA HIS 82 HA HIS 82 -11.786 3.335 6.849 627 HB2 HIS 82 1HB HIS 82 -11.557 4.607 8.832 628 HB3 HIS 82 2HB HIS 82 -12.746 3.353 9.078 629 HD1 HIS 82 1HD HIS 82 -9.589 4.669 10.610 630 HD2 HIS 82 2HD HIS 82 -11.986 1.209 10.673 631 HE1 HIS 82 1HE HIS 82 -8.833 3.318 12.618 632 H LYS 83 H LYS 83 -9.284 1.178 7.214 633 HA LYS 83 HA LYS 83 -7.226 3.313 7.189 634 HB2 LYS 83 1HB LYS 83 -7.230 0.479 8.294 635 HB3 LYS 83 2HB LYS 83 -5.728 1.265 7.829 636 HG2 LYS 83 1HG LYS 83 -7.228 3.209 9.349 637 HG3 LYS 83 2HG LYS 83 -7.328 1.699 10.221 638 HD2 LYS 83 1HD LYS 83 -4.690 2.752 9.162 639 HD3 LYS 83 2HD LYS 83 -5.359 3.338 10.672 640 HE2 LYS 83 1HE LYS 83 -5.464 1.050 11.582 641 HE3 LYS 83 2HE LYS 83 -4.653 0.464 10.116 642 HZ1 LYS 83 3HZ LYS 83 -2.754 1.939 10.748 643 HZ2 LYS 83 1HZ LYS 83 -3.532 2.445 12.085 644 HZ3 LYS 83 2HZ LYS 83 -3.083 0.900 11.942 645 HA PRO 84 HA PRO 84 -6.301 2.091 3.086 646 HB2 PRO 84 1HB PRO 84 -3.684 2.871 2.836 647 HB3 PRO 84 2HB PRO 84 -5.027 4.036 3.021 648 HG2 PRO 84 1HG PRO 84 -3.156 3.031 5.156 649 HG3 PRO 84 2HG PRO 84 -3.690 4.701 4.865 650 HD2 PRO 84 1HD PRO 84 -4.721 2.954 6.733 651 HD3 PRO 84 2HD PRO 84 -5.696 4.269 6.046 652 H ILE 85 H ILE 85 -5.375 0.363 1.899 653 HA ILE 85 HA ILE 85 -3.636 -1.536 3.340 654 HB ILE 85 HB ILE 85 -4.945 -3.490 2.845 655 HG12 ILE 85 1HG1 ILE 85 -7.386 -2.792 1.735 656 HG13 ILE 85 2HG1 ILE 85 -6.350 -1.690 0.875 657 HG21 ILE 85 1HG2 ILE 85 -6.963 -3.192 3.999 658 HG22 ILE 85 2HG2 ILE 85 -5.626 -2.364 4.802 659 HG23 ILE 85 3HG2 ILE 85 -6.812 -1.419 3.894 660 HD11 ILE 85 3HD1 ILE 85 -6.699 -3.802 -0.345 661 HD12 ILE 85 1HD1 ILE 85 -4.990 -3.614 0.063 662 HD13 ILE 85 2HD1 ILE 85 -6.014 -4.717 1.001 663 H VAL 86 H VAL 86 -2.512 -2.995 1.926 664 HA VAL 86 HA VAL 86 -2.557 -2.489 -0.977 665 HB VAL 86 HB VAL 86 -0.076 -2.990 -0.991 666 HG11 VAL 86 1HG1 VAL 86 -0.737 -0.845 -1.512 667 HG12 VAL 86 2HG1 VAL 86 -1.061 -0.397 0.178 668 HG13 VAL 86 3HG1 VAL 86 0.609 -0.663 -0.400 669 HG21 VAL 86 3HG2 VAL 86 1.265 -2.493 0.995 670 HG22 VAL 86 1HG2 VAL 86 -0.203 -2.395 1.979 671 HG23 VAL 86 2HG2 VAL 86 0.251 -3.922 1.218 672 H TRP 87 H TRP 87 -1.540 -4.389 -2.075 673 HA TRP 87 HA TRP 87 -1.957 -6.973 -0.706 674 HB2 TRP 87 1HB TRP 87 -1.017 -6.417 -3.541 675 HB3 TRP 87 2HB TRP 87 -1.677 -7.913 -2.891 676 HD1 TRP 87 HD TRP 87 -2.630 -4.826 -4.705 677 HE1 TRP 87 1HE TRP 87 -5.182 -4.615 -4.953 678 HE3 TRP 87 3HE TRP 87 -4.076 -8.222 -1.148 679 HZ2 TRP 87 2HZ TRP 87 -7.506 -5.482 -3.509 680 HZ3 TRP 87 3HZ TRP 87 -6.434 -8.376 -0.504 681 HH2 TRP 87 HH TRP 87 -8.171 -7.028 -1.683 682 H HIS 88 H HIS 88 -0.180 -8.132 -0.079 683 HA HIS 88 HA HIS 88 2.526 -7.362 -1.059 684 HB2 HIS 88 1HB HIS 88 3.571 -7.870 0.949 685 HB3 HIS 88 2HB HIS 88 2.271 -6.763 1.374 686 HD1 HIS 88 1HD HIS 88 3.825 -9.520 2.898 687 HD2 HIS 88 2HD HIS 88 -0.118 -8.225 2.297 688 HE1 HIS 88 1HE HIS 88 2.463 -10.692 4.612 689 H ILE 89 H ILE 89 3.900 -9.336 -1.149 690 HA ILE 89 HA ILE 89 2.474 -11.931 -1.021 691 HB ILE 89 HB ILE 89 3.975 -10.790 -3.385 692 HG12 ILE 89 1HG1 ILE 89 1.650 -12.756 -3.204 693 HG13 ILE 89 2HG1 ILE 89 1.459 -11.009 -3.299 694 HG21 ILE 89 1HG2 ILE 89 4.483 -13.089 -4.187 695 HG22 ILE 89 2HG2 ILE 89 5.374 -12.708 -2.713 696 HG23 ILE 89 3HG2 ILE 89 3.938 -13.747 -2.621 697 HD11 ILE 89 3HD1 ILE 89 2.645 -11.020 -5.499 698 HD12 ILE 89 1HD1 ILE 89 2.637 -12.802 -5.442 699 HD13 ILE 89 2HD1 ILE 89 1.108 -11.913 -5.478 700 H ASN 90 H ASN 90 3.504 -12.834 0.681 701 HA ASN 90 HA ASN 90 5.063 -13.556 2.031 702 HB2 ASN 90 1HB ASN 90 7.075 -14.435 1.238 703 HB3 ASN 90 2HB ASN 90 5.860 -14.702 0.006 704 HD21 ASN 90 1HD2 ASN 90 8.281 -12.213 0.883 705 HD22 ASN 90 2HD2 ASN 90 8.889 -11.928 -0.747 706 H GLN 91 H GLN 91 4.765 -10.582 1.584 707 HA GLN 91 HA GLN 91 5.342 -8.726 2.902 708 HB2 GLN 91 1HB GLN 91 7.846 -10.142 3.802 709 HB3 GLN 91 2HB GLN 91 7.210 -8.686 4.443 710 HG2 GLN 91 1HG GLN 91 5.322 -9.800 5.486 711 HG3 GLN 91 2HG GLN 91 5.565 -11.273 4.578 712 HE21 GLN 91 1HE2 GLN 91 7.874 -12.156 4.704 713 HE22 GLN 91 2HE2 GLN 91 8.610 -12.262 6.258 714 H ALA 92 H ALA 92 6.156 -9.531 0.097 715 HA ALA 92 HA ALA 92 8.110 -7.390 -0.371 716 HB1 ALA 92 1HB ALA 92 9.278 -9.572 -0.653 717 HB2 ALA 92 2HB ALA 92 7.994 -10.111 -1.762 718 HB3 ALA 92 3HB ALA 92 9.054 -8.754 -2.212 719 H THR 93 H THR 93 7.796 -6.943 -2.913 720 HA THR 93 HA THR 93 4.969 -7.170 -3.686 721 HB THR 93 HB THR 93 5.386 -5.038 -2.477 722 HG1 THR 93 1HG THR 93 4.120 -4.034 -3.656 723 HG21 THR 93 3HG2 THR 93 7.711 -4.571 -3.208 724 HG22 THR 93 1HG2 THR 93 7.068 -4.150 -4.812 725 HG23 THR 93 2HG2 THR 93 6.592 -3.211 -3.398 726 H THR 94 H THR 94 4.826 -7.634 -5.879 727 HA THR 94 HA THR 94 7.375 -8.027 -7.321 728 HB THR 94 HB THR 94 6.508 -10.202 -8.104 729 HG1 THR 94 1HG THR 94 4.717 -11.118 -7.109 730 HG21 THR 94 3HG2 THR 94 6.431 -10.100 -5.057 731 HG22 THR 94 1HG2 THR 94 6.784 -11.511 -6.071 732 HG23 THR 94 2HG2 THR 94 7.918 -10.146 -6.036 733 H LYS 95 H LYS 95 6.874 -8.371 -9.802 734 HA LYS 95 HA LYS 95 5.629 -6.040 -10.659 735 HB2 LYS 95 1HB LYS 95 7.231 -7.559 -11.924 736 HB3 LYS 95 2HB LYS 95 5.812 -8.424 -12.504 737 HG2 LYS 95 1HG LYS 95 4.969 -6.532 -13.637 738 HG3 LYS 95 2HG LYS 95 5.954 -5.390 -12.726 739 HD2 LYS 95 1HD LYS 95 7.199 -7.426 -14.609 740 HD3 LYS 95 2HD LYS 95 6.627 -5.846 -15.141 741 HE2 LYS 95 1HE LYS 95 8.657 -5.068 -14.660 742 HE3 LYS 95 2HE LYS 95 8.102 -5.076 -12.986 743 HZ1 LYS 95 3HZ LYS 95 10.254 -6.126 -13.321 744 HZ2 LYS 95 1HZ LYS 95 9.194 -7.193 -12.673 745 HZ3 LYS 95 2HZ LYS 95 9.618 -7.237 -14.300 746 H THR 96 H THR 96 4.171 -9.170 -10.204 747 HA THR 96 HA THR 96 1.542 -8.901 -11.108 748 HB THR 96 HB THR 96 2.708 -10.275 -8.664 749 HG1 THR 96 1HG THR 96 3.544 -10.931 -10.685 750 HG21 THR 96 3HG2 THR 96 0.240 -10.122 -8.439 751 HG22 THR 96 1HG2 THR 96 0.055 -10.830 -10.060 752 HG23 THR 96 2HG2 THR 96 0.781 -11.776 -8.742 753 H THR 97 H THR 97 2.774 -7.992 -7.792 754 HA THR 97 HA THR 97 0.153 -6.835 -7.077 755 HB THR 97 HB THR 97 1.580 -6.599 -4.853 756 HG1 THR 97 1HG THR 97 2.974 -8.832 -5.755 757 HG21 THR 97 3HG2 THR 97 0.831 -9.365 -5.908 758 HG22 THR 97 1HG2 THR 97 1.121 -8.936 -4.208 759 HG23 THR 97 2HG2 THR 97 -0.237 -8.217 -5.079 760 H PHE 98 H PHE 98 3.044 -5.787 -8.445 761 HA PHE 98 HA PHE 98 3.424 -3.200 -7.323 762 HB2 PHE 98 1HB PHE 98 5.271 -3.948 -8.451 763 HB3 PHE 98 2HB PHE 98 4.323 -4.765 -9.671 764 HD1 PHE 98 2HD PHE 98 5.649 -1.468 -8.703 765 HD2 PHE 98 1HD PHE 98 3.765 -3.832 -11.747 766 HE1 PHE 98 2HE PHE 98 5.960 0.409 -10.345 767 HE2 PHE 98 1HE PHE 98 4.047 -1.961 -13.382 768 HZ PHE 98 HZ PHE 98 5.110 0.159 -12.658 769 H LYS 99 H LYS 99 1.792 -4.252 -10.335 770 HA LYS 99 HA LYS 99 0.765 -1.802 -11.214 771 HB2 LYS 99 1HB LYS 99 -0.116 -4.652 -11.466 772 HB3 LYS 99 2HB LYS 99 -1.264 -3.415 -11.950 773 HG2 LYS 99 1HG LYS 99 1.541 -3.106 -13.002 774 HG3 LYS 99 2HG LYS 99 0.610 -4.468 -13.599 775 HD2 LYS 99 1HD LYS 99 -1.311 -2.752 -14.087 776 HD3 LYS 99 2HD LYS 99 -0.062 -1.514 -13.818 777 HE2 LYS 99 1HE LYS 99 0.003 -1.933 -16.161 778 HE3 LYS 99 2HE LYS 99 1.378 -2.805 -15.488 779 HZ1 LYS 99 3HZ LYS 99 0.374 -4.335 -16.894 780 HZ2 LYS 99 1HZ LYS 99 -0.273 -4.789 -15.463 781 HZ3 LYS 99 2HZ LYS 99 -1.150 -3.899 -16.526 782 HA PRO 100 HA PRO 100 -3.092 -2.037 -8.585 783 HB2 PRO 100 1HB PRO 100 -3.379 -3.785 -6.487 784 HB3 PRO 100 2HB PRO 100 -3.851 -4.173 -8.166 785 HG2 PRO 100 1HG PRO 100 -1.354 -5.014 -6.764 786 HG3 PRO 100 2HG PRO 100 -2.423 -5.946 -7.863 787 HD2 PRO 100 1HD PRO 100 -0.114 -4.832 -8.776 788 HD3 PRO 100 2HD PRO 100 -1.594 -4.980 -9.768 789 H ASN 101 H ASN 101 0.075 -2.631 -6.899 790 HA ASN 101 HA ASN 101 -0.440 -1.013 -4.660 791 HB2 ASN 101 1HB ASN 101 1.955 -2.154 -6.053 792 HB3 ASN 101 2HB ASN 101 2.222 -0.692 -5.178 793 HD21 ASN 101 1HD2 ASN 101 1.889 -4.080 -4.840 794 HD22 ASN 101 2HD2 ASN 101 1.865 -4.109 -3.088 795 H THR 102 H THR 102 0.440 -0.115 -8.097 796 HA THR 102 HA THR 102 1.340 2.440 -7.306 797 HB THR 102 HB THR 102 1.524 3.055 -9.432 798 HG1 THR 102 1HG THR 102 -0.261 3.085 -10.536 799 HG21 THR 102 3HG2 THR 102 1.314 0.108 -10.051 800 HG22 THR 102 1HG2 THR 102 2.388 1.298 -10.771 801 HG23 THR 102 2HG2 THR 102 2.636 0.787 -9.102 802 H TRP 103 H TRP 103 -1.940 1.338 -7.935 803 HA TRP 103 HA TRP 103 -3.299 3.891 -7.750 804 HB2 TRP 103 1HB TRP 103 -4.134 1.009 -7.240 805 HB3 TRP 103 2HB TRP 103 -5.236 2.337 -7.151 806 HD1 TRP 103 HD TRP 103 -3.445 0.147 -9.637 807 HE1 TRP 103 1HE TRP 103 -4.376 0.508 -11.967 808 HE3 TRP 103 3HE TRP 103 -6.381 4.206 -8.667 809 HZ2 TRP 103 2HZ TRP 103 -6.559 2.102 -13.165 810 HZ3 TRP 103 3HZ TRP 103 -7.905 5.111 -10.391 811 HH2 TRP 103 HH TRP 103 -8.065 4.008 -12.606 812 H CYS 104 H CYS 104 -2.654 1.188 -5.438 813 HA CYS 104 HA CYS 104 -3.599 2.394 -3.101 814 HB2 CYS 104 1HB CYS 104 -1.449 0.416 -3.796 815 HB3 CYS 104 2HB CYS 104 -1.612 0.912 -2.158 816 HG CYS 104 HG CYS 104 -3.826 -0.040 -1.621 817 H LEU 105 H LEU 105 -0.373 2.995 -4.720 818 HA LEU 105 HA LEU 105 0.557 4.611 -2.498 819 HB2 LEU 105 1HB LEU 105 1.349 4.452 -5.431 820 HB3 LEU 105 2HB LEU 105 2.141 5.559 -4.308 821 HG LEU 105 HG LEU 105 2.000 2.559 -3.793 822 HD11 LEU 105 1HD1 LEU 105 4.320 2.513 -4.653 823 HD12 LEU 105 2HD1 LEU 105 3.137 2.999 -5.893 824 HD13 LEU 105 3HD1 LEU 105 4.177 4.216 -5.135 825 HD21 LEU 105 3HD2 LEU 105 2.441 3.869 -1.766 826 HD22 LEU 105 1HD2 LEU 105 3.904 3.056 -2.287 827 HD23 LEU 105 2HD2 LEU 105 3.704 4.788 -2.594 828 H ARG 106 H ARG 106 -1.335 5.260 -5.436 829 HA ARG 106 HA ARG 106 -1.314 8.158 -5.116 830 HB2 ARG 106 1HB ARG 106 -3.178 6.291 -6.641 831 HB3 ARG 106 2HB ARG 106 -3.311 8.062 -6.647 832 HG2 ARG 106 1HG ARG 106 -1.026 8.258 -7.390 833 HG3 ARG 106 2HG ARG 106 -0.811 6.525 -7.452 834 HD2 ARG 106 1HD ARG 106 -2.040 6.323 -9.409 835 HD3 ARG 106 2HD ARG 106 -3.113 7.672 -8.985 836 HE ARG 106 HE ARG 106 -0.454 8.601 -9.405 837 HH11 ARG 106 2HH2 ARG 106 -3.414 7.719 -11.131 838 HH12 ARG 106 1HH2 ARG 106 -3.183 8.950 -12.349 839 HH21 ARG 106 2HH1 ARG 106 -0.144 10.187 -11.137 840 HH22 ARG 106 1HH1 ARG 106 -1.363 10.276 -12.357 841 H CYS 107 H CYS 107 -3.118 5.613 -3.473 842 HA CYS 107 HA CYS 107 -5.099 7.446 -2.351 843 HB2 CYS 107 1HB CYS 107 -4.219 4.615 -1.822 844 HB3 CYS 107 2HB CYS 107 -4.921 5.499 -0.466 845 HG CYS 107 HG CYS 107 -7.180 6.098 -1.484 846 H LEU 108 H LEU 108 -1.730 6.457 -1.418 847 HA LEU 108 HA LEU 108 -1.967 7.806 1.171 848 HB2 LEU 108 1HB LEU 108 0.478 6.824 -0.351 849 HB3 LEU 108 2HB LEU 108 0.459 7.383 1.319 850 HG LEU 108 HG LEU 108 -0.901 4.877 0.242 851 HD11 LEU 108 1HD1 LEU 108 1.521 4.745 0.333 852 HD12 LEU 108 2HD1 LEU 108 1.542 5.355 1.997 853 HD13 LEU 108 3HD1 LEU 108 0.853 3.768 1.645 854 HD21 LEU 108 3HD2 LEU 108 -1.349 4.361 2.647 855 HD22 LEU 108 1HD2 LEU 108 -0.774 5.995 3.071 856 HD23 LEU 108 2HD2 LEU 108 -2.238 5.781 2.086 857 H TRP 109 H TRP 109 -1.341 8.889 -2.078 858 HA TRP 109 HA TRP 109 0.443 11.031 -1.601 859 HB2 TRP 109 1HB TRP 109 -1.713 10.430 -3.650 860 HB3 TRP 109 2HB TRP 109 -0.738 11.847 -3.728 861 HD1 TRP 109 HD TRP 109 1.407 9.021 -2.584 862 HE1 TRP 109 1HE TRP 109 2.768 8.050 -4.512 863 HE3 TRP 109 3HE TRP 109 -1.047 11.214 -6.452 864 HZ2 TRP 109 2HZ TRP 109 2.693 8.094 -7.399 865 HZ3 TRP 109 3HZ TRP 109 -0.329 10.832 -8.786 866 HH2 TRP 109 HH TRP 109 1.556 9.242 -9.283 867 H SER 110 H SER 110 -0.136 13.323 -1.620 868 HA SER 110 HA SER 110 -2.447 13.878 0.163 869 HB2 SER 110 1HB SER 110 0.016 15.562 -0.298 870 HB3 SER 110 2HB SER 110 -1.147 15.661 1.030 871 HG SER 110 HG SER 110 -0.350 13.440 1.594 872 H THR 111 H THR 111 -2.585 16.706 -0.396 873 HA THR 111 HA THR 111 -3.023 16.848 -3.330 874 HB THR 111 HB THR 111 -5.028 18.249 -2.818 875 HG1 THR 111 1HG THR 111 -5.071 18.800 -0.806 876 HG21 THR 111 3HG2 THR 111 -6.585 16.436 -2.506 877 HG22 THR 111 1HG2 THR 111 -5.250 15.854 -3.514 878 HG23 THR 111 2HG2 THR 111 -5.331 15.410 -1.789 879 H LYS 112 H LYS 112 -1.097 18.091 -3.731 880 HA LYS 112 HA LYS 112 -1.226 20.771 -2.484 881 HB2 LYS 112 1HB LYS 112 0.409 19.746 -1.240 882 HB3 LYS 112 2HB LYS 112 1.251 19.094 -2.659 883 HG2 LYS 112 1HG LYS 112 2.530 20.951 -1.988 884 HG3 LYS 112 2HG LYS 112 1.591 21.562 -3.346 885 HD2 LYS 112 1HD LYS 112 -0.033 22.567 -1.672 886 HD3 LYS 112 2HD LYS 112 1.117 22.066 -0.399 887 HE2 LYS 112 1HE LYS 112 2.908 23.309 -1.684 888 HE3 LYS 112 2HE LYS 112 1.650 23.923 -2.756 889 HZ1 LYS 112 3HZ LYS 112 2.206 25.472 -1.072 890 HZ2 LYS 112 1HZ LYS 112 0.654 25.038 -0.807 891 HZ3 LYS 112 2HZ LYS 112 1.856 24.437 0.158 892 HA PRO 113 HA PRO 113 -1.478 21.604 -6.931 893 HB2 PRO 113 1HB PRO 113 -1.320 24.328 -5.620 894 HB3 PRO 113 2HB PRO 113 -2.349 23.805 -6.992 895 HG2 PRO 113 1HG PRO 113 -3.382 24.029 -4.490 896 HG3 PRO 113 2HG PRO 113 -3.825 22.633 -5.536 897 HD2 PRO 113 1HD PRO 113 -1.841 22.683 -3.237 898 HD3 PRO 113 2HD PRO 113 -3.008 21.423 -3.744 899 H VAL 114 H VAL 114 0.237 21.817 -8.273 900 HA VAL 114 HA VAL 114 2.328 23.670 -7.784 901 HB VAL 114 HB VAL 114 3.252 21.867 -6.456 902 HG11 VAL 114 1HG1 VAL 114 3.475 20.113 -8.920 903 HG12 VAL 114 2HG1 VAL 114 3.999 19.753 -7.268 904 HG13 VAL 114 3HG1 VAL 114 2.263 19.893 -7.621 905 HG21 VAL 114 3HG2 VAL 114 4.811 22.267 -9.029 906 HG22 VAL 114 1HG2 VAL 114 4.764 23.388 -7.648 907 HG23 VAL 114 2HG2 VAL 114 5.475 21.774 -7.463 908 H ASP 115 H ASP 115 1.433 24.565 -9.509 909 HA ASP 115 HA ASP 115 1.719 25.271 -11.604 910 HB2 ASP 115 1HB ASP 115 3.940 23.846 -11.291 911 HB3 ASP 115 2HB ASP 115 3.129 22.754 -12.413 912 H THR 116 H THR 116 0.477 22.249 -11.027 913 HA THR 116 HA THR 116 -0.626 20.588 -12.085 914 HB THR 116 HB THR 116 -2.241 22.641 -13.607 915 HG1 THR 116 1HG THR 116 -2.290 23.519 -11.686 916 HG21 THR 116 3HG2 THR 116 -2.845 19.996 -12.181 917 HG22 THR 116 1HG2 THR 116 -4.078 21.015 -12.938 918 HG23 THR 116 2HG2 THR 116 -2.822 20.248 -13.925 Start of MODEL 19 1 H1 MET 1 H MET 1 -7.428 -22.501 0.153 2 HA MET 1 HA MET 1 -7.511 -20.828 -1.633 3 HB2 MET 1 1HB MET 1 -9.106 -22.323 -2.922 4 HB3 MET 1 2HB MET 1 -10.408 -21.688 -1.905 5 HG2 MET 1 1HG MET 1 -9.826 -19.385 -2.879 6 HG3 MET 1 2HG MET 1 -8.657 -20.214 -3.906 7 HE1 MET 1 3HE MET 1 -10.728 -20.527 -6.919 8 HE2 MET 1 1HE MET 1 -9.987 -19.141 -6.082 9 HE3 MET 1 2HE MET 1 -9.148 -20.709 -6.144 10 H TYR 2 H TYR 2 -10.272 -19.343 -1.267 11 HA TYR 2 HA TYR 2 -10.897 -19.551 1.465 12 HB2 TYR 2 1HB TYR 2 -9.035 -17.630 1.144 13 HB3 TYR 2 2HB TYR 2 -10.401 -16.716 0.561 14 HD1 TYR 2 2HD TYR 2 -12.036 -18.580 3.029 15 HD2 TYR 2 1HD TYR 2 -8.945 -15.572 2.663 16 HE1 TYR 2 2HE TYR 2 -12.363 -17.985 5.340 17 HE2 TYR 2 1HE TYR 2 -9.346 -14.926 5.027 18 HH TYR 2 HH TYR 2 -12.019 -16.339 6.903 19 H THR 3 H THR 3 -13.197 -19.176 1.505 20 HA THR 3 HA THR 3 -14.427 -17.562 -0.654 21 HB THR 3 HB THR 3 -16.213 -19.634 -0.299 22 HG1 THR 3 1HG THR 3 -14.823 -21.016 0.683 23 HG21 THR 3 3HG2 THR 3 -14.073 -19.479 -2.471 24 HG22 THR 3 1HG2 THR 3 -15.627 -20.323 -2.583 25 HG23 THR 3 2HG2 THR 3 -15.592 -18.558 -2.452 26 H GLU 4 H GLU 4 -13.893 -17.618 2.400 27 HA GLU 4 HA GLU 4 -16.511 -17.117 3.572 28 HB2 GLU 4 1HB GLU 4 -14.468 -17.905 4.785 29 HB3 GLU 4 2HB GLU 4 -13.839 -16.240 4.617 30 HG2 GLU 4 1HG GLU 4 -15.590 -15.379 5.993 31 HG3 GLU 4 2HG GLU 4 -16.520 -16.884 5.885 32 H GLN 5 H GLN 5 -16.935 -14.754 4.361 33 HA GLN 5 HA GLN 5 -16.806 -12.972 2.163 34 HB2 GLN 5 1HB GLN 5 -17.823 -11.365 3.663 35 HB3 GLN 5 2HB GLN 5 -18.631 -12.899 3.750 36 HG2 GLN 5 1HG GLN 5 -16.547 -11.992 5.776 37 HG3 GLN 5 2HG GLN 5 -18.236 -11.558 5.908 38 HE21 GLN 5 1HE2 GLN 5 -17.309 -12.825 8.084 39 HE22 GLN 5 2HE2 GLN 5 -17.928 -14.469 8.132 40 HA PRO 6 HA PRO 6 -12.896 -11.118 2.800 41 HB2 PRO 6 1HB PRO 6 -13.072 -8.736 1.506 42 HB3 PRO 6 2HB PRO 6 -13.281 -10.293 0.635 43 HG2 PRO 6 1HG PRO 6 -15.427 -8.408 1.653 44 HG3 PRO 6 2HG PRO 6 -15.328 -9.237 0.067 45 HD2 PRO 6 1HD PRO 6 -16.792 -10.135 2.248 46 HD3 PRO 6 2HD PRO 6 -16.184 -11.238 0.989 47 H ILE 7 H ILE 7 -11.655 -9.804 3.982 48 HA ILE 7 HA ILE 7 -12.742 -9.033 6.458 49 HB ILE 7 HB ILE 7 -9.994 -8.446 5.306 50 HG12 ILE 7 1HG1 ILE 7 -10.711 -10.826 7.072 51 HG13 ILE 7 2HG1 ILE 7 -10.690 -10.919 5.319 52 HG21 ILE 7 1HG2 ILE 7 -10.813 -8.752 8.224 53 HG22 ILE 7 2HG2 ILE 7 -9.246 -8.201 7.583 54 HG23 ILE 7 3HG2 ILE 7 -10.676 -7.184 7.427 55 HD11 ILE 7 3HD1 ILE 7 -8.326 -10.298 7.095 56 HD12 ILE 7 1HD1 ILE 7 -8.589 -11.673 5.997 57 HD13 ILE 7 2HD1 ILE 7 -8.320 -10.060 5.329 58 H ASP 8 H ASP 8 -14.217 -7.374 6.235 59 HA ASP 8 HA ASP 8 -15.134 -5.385 5.672 60 HB2 ASP 8 1HB ASP 8 -13.509 -5.300 7.906 61 HB3 ASP 8 2HB ASP 8 -13.102 -3.775 7.155 62 H LEU 9 H LEU 9 -13.539 -6.198 3.514 63 HA LEU 9 HA LEU 9 -11.828 -4.036 2.813 64 HB2 LEU 9 1HB LEU 9 -11.619 -6.690 2.433 65 HB3 LEU 9 2HB LEU 9 -12.410 -6.292 0.913 66 HG LEU 9 HG LEU 9 -10.590 -4.554 0.508 67 HD11 LEU 9 1HD1 LEU 9 -9.710 -4.131 2.751 68 HD12 LEU 9 2HD1 LEU 9 -9.371 -5.857 2.991 69 HD13 LEU 9 3HD1 LEU 9 -8.438 -4.911 1.814 70 HD21 LEU 9 3HD2 LEU 9 -8.851 -6.234 -0.004 71 HD22 LEU 9 1HD2 LEU 9 -9.732 -7.430 0.969 72 HD23 LEU 9 2HD2 LEU 9 -10.468 -6.765 -0.511 73 H VAL 10 H VAL 10 -12.077 -2.473 1.408 74 HA VAL 10 HA VAL 10 -14.605 -2.301 -0.139 75 HB VAL 10 HB VAL 10 -14.830 0.022 0.831 76 HG11 VAL 10 1HG1 VAL 10 -15.399 -2.340 2.672 77 HG12 VAL 10 2HG1 VAL 10 -16.253 -0.789 2.591 78 HG13 VAL 10 3HG1 VAL 10 -16.359 -1.923 1.235 79 HG21 VAL 10 3HG2 VAL 10 -12.715 0.118 2.100 80 HG22 VAL 10 1HG2 VAL 10 -14.147 0.298 3.151 81 HG23 VAL 10 2HG2 VAL 10 -13.251 -1.220 3.121 82 HA PRO 11 HA PRO 11 -11.439 -0.776 -2.895 83 HB2 PRO 11 1HB PRO 11 -13.103 -0.160 -5.019 84 HB3 PRO 11 2HB PRO 11 -12.360 -1.735 -4.697 85 HG2 PRO 11 1HG PRO 11 -15.187 -1.008 -4.411 86 HG3 PRO 11 2HG PRO 11 -14.428 -2.613 -4.466 87 HD2 PRO 11 1HD PRO 11 -15.318 -1.145 -2.109 88 HD3 PRO 11 2HD PRO 11 -14.557 -2.755 -2.196 89 H THR 12 H THR 12 -10.779 1.286 -3.730 90 HA THR 12 HA THR 12 -12.679 3.447 -3.625 91 HB THR 12 HB THR 12 -11.751 3.504 -1.341 92 HG1 THR 12 1HG THR 12 -11.456 5.729 -1.428 93 HG21 THR 12 3HG2 THR 12 -9.490 4.322 -0.932 94 HG22 THR 12 1HG2 THR 12 -9.415 2.769 -1.786 95 HG23 THR 12 2HG2 THR 12 -9.109 4.288 -2.661 96 H GLN 13 H GLN 13 -10.833 5.451 -4.152 97 HA GLN 13 HA GLN 13 -9.187 4.740 -6.419 98 HB2 GLN 13 1HB GLN 13 -11.790 6.259 -6.677 99 HB3 GLN 13 2HB GLN 13 -10.496 6.895 -7.529 100 HG2 GLN 13 1HG GLN 13 -10.987 5.516 -9.208 101 HG3 GLN 13 2HG GLN 13 -10.278 4.247 -8.246 102 HE21 GLN 13 1HE2 GLN 13 -11.782 2.883 -6.909 103 HE22 GLN 13 2HE2 GLN 13 -13.413 2.647 -7.537 104 HA PRO 14 HA PRO 14 -6.920 7.966 -4.555 105 HB2 PRO 14 1HB PRO 14 -5.600 9.265 -6.568 106 HB3 PRO 14 2HB PRO 14 -5.308 7.550 -6.182 107 HG2 PRO 14 1HG PRO 14 -7.014 8.695 -8.396 108 HG3 PRO 14 2HG PRO 14 -5.879 7.310 -8.459 109 HD2 PRO 14 1HD PRO 14 -8.656 7.133 -8.112 110 HD3 PRO 14 2HD PRO 14 -7.526 5.860 -7.622 111 H LEU 15 H LEU 15 -7.002 10.172 -3.951 112 HA LEU 15 HA LEU 15 -9.330 11.727 -4.495 113 HB2 LEU 15 1HB LEU 15 -6.635 12.140 -3.244 114 HB3 LEU 15 2HB LEU 15 -7.564 13.586 -3.645 115 HG LEU 15 HG LEU 15 -8.791 11.330 -2.025 116 HD11 LEU 15 1HD1 LEU 15 -8.102 12.539 -0.007 117 HD12 LEU 15 2HD1 LEU 15 -6.690 11.968 -0.900 118 HD13 LEU 15 3HD1 LEU 15 -7.155 13.682 -0.985 119 HD21 LEU 15 3HD2 LEU 15 -10.358 13.031 -2.855 120 HD22 LEU 15 1HD2 LEU 15 -10.132 13.253 -1.118 121 HD23 LEU 15 2HD2 LEU 15 -9.294 14.332 -2.254 122 HA PRO 16 HA PRO 16 -7.952 13.919 -8.245 123 HB2 PRO 16 1HB PRO 16 -9.552 16.123 -8.097 124 HB3 PRO 16 2HB PRO 16 -10.184 14.512 -8.539 125 HG2 PRO 16 1HG PRO 16 -10.475 15.977 -5.932 126 HG3 PRO 16 2HG PRO 16 -11.582 14.792 -6.700 127 HD2 PRO 16 1HD PRO 16 -9.680 14.328 -4.658 128 HD3 PRO 16 2HD PRO 16 -10.637 13.102 -5.527 129 H ASN 17 H ASN 17 -6.634 15.819 -8.629 130 HA ASN 17 HA ASN 17 -4.781 16.908 -8.285 131 HB2 ASN 17 1HB ASN 17 -4.940 19.003 -7.551 132 HB3 ASN 17 2HB ASN 17 -6.648 18.630 -7.691 133 HD21 ASN 17 1HD2 ASN 17 -7.161 17.345 -5.238 134 HD22 ASN 17 2HD2 ASN 17 -6.862 18.497 -3.961 135 H ALA 18 H ALA 18 -5.333 14.667 -6.116 136 HA ALA 18 HA ALA 18 -3.520 15.153 -3.985 137 HB1 ALA 18 1HB ALA 18 -5.167 13.301 -4.195 138 HB2 ALA 18 2HB ALA 18 -4.105 12.509 -5.376 139 HB3 ALA 18 3HB ALA 18 -3.565 12.776 -3.695 140 H SER 19 H SER 19 -1.166 14.721 -3.863 141 HA SER 19 HA SER 19 0.184 13.737 -6.181 142 HB2 SER 19 1HB SER 19 -0.139 16.208 -6.608 143 HB3 SER 19 2HB SER 19 0.846 16.548 -5.170 144 HG SER 19 HG SER 19 2.018 16.614 -7.093 145 H PHE 20 H PHE 20 2.289 13.399 -5.580 146 HA PHE 20 HA PHE 20 2.564 12.306 -2.996 147 HB2 PHE 20 1HB PHE 20 3.655 11.545 -5.204 148 HB3 PHE 20 2HB PHE 20 4.746 12.902 -5.044 149 HD1 PHE 20 1HD PHE 20 3.679 10.633 -2.185 150 HD2 PHE 20 2HD PHE 20 6.755 11.709 -5.031 151 HE1 PHE 20 1HE PHE 20 5.350 9.361 -0.887 152 HE2 PHE 20 2HE PHE 20 8.365 10.411 -3.772 153 HZ PHE 20 HZ PHE 20 7.682 9.263 -1.620 154 H ASP 21 H ASP 21 4.853 12.764 -1.767 155 HA ASP 21 HA ASP 21 5.293 15.589 -1.419 156 HB2 ASP 21 1HB ASP 21 3.317 14.884 0.134 157 HB3 ASP 21 2HB ASP 21 4.487 13.909 1.006 158 H ASN 22 H ASN 22 7.034 15.436 0.699 159 HA ASN 22 HA ASN 22 9.157 13.601 -0.086 160 HB2 ASN 22 1HB ASN 22 8.826 15.882 1.797 161 HB3 ASN 22 2HB ASN 22 9.929 14.636 2.340 162 HD21 ASN 22 1HD2 ASN 22 11.426 13.714 0.310 163 HD22 ASN 22 2HD2 ASN 22 12.123 15.039 -0.543 164 H PHE 23 H PHE 23 6.321 12.579 1.163 165 HA PHE 23 HA PHE 23 7.181 11.540 3.714 166 HB2 PHE 23 1HB PHE 23 5.125 10.421 3.943 167 HB3 PHE 23 2HB PHE 23 4.792 11.976 3.225 168 HD1 PHE 23 1HD PHE 23 5.246 8.327 2.371 169 HD2 PHE 23 2HD PHE 23 3.264 12.041 1.419 170 HE1 PHE 23 1HE PHE 23 3.795 7.145 0.747 171 HE2 PHE 23 2HE PHE 23 1.814 10.852 -0.172 172 HZ PHE 23 HZ PHE 23 2.105 8.396 -0.551 173 H LYS 24 H LYS 24 8.124 9.678 4.265 174 HA LYS 24 HA LYS 24 8.942 7.781 2.127 175 HB2 LYS 24 1HB LYS 24 10.713 8.593 3.563 176 HB3 LYS 24 2HB LYS 24 9.830 8.171 5.022 177 HG2 LYS 24 1HG LYS 24 10.128 5.833 4.585 178 HG3 LYS 24 2HG LYS 24 10.584 6.155 2.897 179 HD2 LYS 24 1HD LYS 24 12.706 7.308 3.983 180 HD3 LYS 24 2HD LYS 24 12.253 6.331 5.408 181 HE2 LYS 24 1HE LYS 24 11.998 4.347 3.867 182 HE3 LYS 24 2HE LYS 24 12.550 5.351 2.537 183 HZ1 LYS 24 3HZ LYS 24 14.741 5.486 3.566 184 HZ2 LYS 24 1HZ LYS 24 14.245 4.661 4.905 185 HZ3 LYS 24 2HZ LYS 24 14.312 3.924 3.467 186 H LEU 25 H LEU 25 8.522 5.612 2.373 187 HA LEU 25 HA LEU 25 6.314 4.803 4.235 188 HB2 LEU 25 1HB LEU 25 7.389 3.328 1.786 189 HB3 LEU 25 2HB LEU 25 6.084 2.829 2.844 190 HG LEU 25 HG LEU 25 4.902 5.049 2.137 191 HD11 LEU 25 1HD1 LEU 25 6.955 4.736 -0.119 192 HD12 LEU 25 2HD1 LEU 25 5.467 5.701 -0.251 193 HD13 LEU 25 3HD1 LEU 25 6.725 6.170 0.884 194 HD21 LEU 25 3HD2 LEU 25 3.884 3.907 0.275 195 HD22 LEU 25 1HD2 LEU 25 5.302 2.844 0.087 196 HD23 LEU 25 2HD2 LEU 25 4.263 2.706 1.516 197 H THR 26 H THR 26 6.723 3.073 5.680 198 HA THR 26 HA THR 26 9.320 1.675 5.497 199 HB THR 26 HB THR 26 9.709 1.952 7.864 200 HG1 THR 26 1HG THR 26 7.460 3.661 7.944 201 HG21 THR 26 3HG2 THR 26 9.011 4.751 6.838 202 HG22 THR 26 1HG2 THR 26 10.160 4.332 8.109 203 HG23 THR 26 2HG2 THR 26 10.500 3.884 6.417 204 H CYS 27 H CYS 27 9.187 -0.367 7.016 205 HA CYS 27 HA CYS 27 6.771 -1.307 8.037 206 HB2 CYS 27 1HB CYS 27 6.197 -1.542 5.580 207 HB3 CYS 27 2HB CYS 27 7.567 -2.587 5.389 208 HG CYS 27 HG CYS 27 4.976 -2.950 7.438 209 H SER 28 H SER 28 7.283 -3.988 8.289 210 HA SER 28 HA SER 28 9.852 -4.225 9.600 211 HB2 SER 28 1HB SER 28 9.055 -6.634 9.781 212 HB3 SER 28 2HB SER 28 8.002 -5.415 10.521 213 HG SER 28 HG SER 28 6.486 -6.239 9.316 214 H ASN 29 H ASN 29 8.378 -5.385 6.536 215 HA ASN 29 HA ASN 29 10.895 -6.651 5.674 216 HB2 ASN 29 1HB ASN 29 8.649 -7.536 4.969 217 HB3 ASN 29 2HB ASN 29 8.433 -6.086 3.980 218 HD21 ASN 29 1HD2 ASN 29 9.768 -9.179 4.102 219 HD22 ASN 29 2HD2 ASN 29 10.656 -9.165 2.583 220 H THR 30 H THR 30 12.559 -5.360 5.073 221 HA THR 30 HA THR 30 12.081 -2.595 4.494 222 HB THR 30 HB THR 30 14.570 -2.547 4.189 223 HG1 THR 30 1HG THR 30 15.348 -4.371 3.614 224 HG21 THR 30 3HG2 THR 30 15.087 -3.127 6.538 225 HG22 THR 30 1HG2 THR 30 13.535 -2.267 6.418 226 HG23 THR 30 2HG2 THR 30 13.572 -4.022 6.686 227 H LYS 31 H LYS 31 12.585 -5.450 2.337 228 HA LYS 31 HA LYS 31 13.121 -3.684 0.094 229 HB2 LYS 31 1HB LYS 31 13.876 -6.012 -0.130 230 HB3 LYS 31 2HB LYS 31 12.205 -6.576 0.015 231 HG2 LYS 31 1HG LYS 31 12.886 -6.581 -2.347 232 HG3 LYS 31 2HG LYS 31 11.585 -5.434 -2.086 233 HD2 LYS 31 1HD LYS 31 13.023 -4.257 -3.500 234 HD3 LYS 31 2HD LYS 31 13.472 -3.617 -1.949 235 HE2 LYS 31 1HE LYS 31 15.395 -5.303 -1.933 236 HE3 LYS 31 2HE LYS 31 14.907 -5.725 -3.565 237 HZ1 LYS 31 3HZ LYS 31 16.592 -4.074 -3.807 238 HZ2 LYS 31 1HZ LYS 31 15.168 -3.246 -4.043 239 HZ3 LYS 31 2HZ LYS 31 15.954 -3.111 -2.657 240 H PHE 32 H PHE 32 10.165 -5.249 1.475 241 HA PHE 32 HA PHE 32 8.365 -4.470 -0.498 242 HB2 PHE 32 1HB PHE 32 7.986 -5.733 1.712 243 HB3 PHE 32 2HB PHE 32 7.889 -4.148 2.476 244 HD1 PHE 32 1HD PHE 32 6.538 -5.802 -0.606 245 HD2 PHE 32 2HD PHE 32 5.592 -3.531 2.919 246 HE1 PHE 32 1HE PHE 32 4.105 -5.916 -1.189 247 HE2 PHE 32 2HE PHE 32 3.187 -3.628 2.327 248 HZ PHE 32 HZ PHE 32 2.447 -4.870 0.277 249 H ALA 33 H ALA 33 9.323 -2.538 2.365 250 HA ALA 33 HA ALA 33 8.018 -0.138 1.627 251 HB1 ALA 33 1HB ALA 33 9.590 0.941 3.199 252 HB2 ALA 33 2HB ALA 33 8.965 -0.580 3.881 253 HB3 ALA 33 3HB ALA 33 10.613 -0.515 3.211 254 H ASP 34 H ASP 34 11.172 -1.428 0.707 255 HA ASP 34 HA ASP 34 12.152 1.103 -0.320 256 HB2 ASP 34 1HB ASP 34 13.616 -0.769 0.503 257 HB3 ASP 34 2HB ASP 34 13.298 -1.621 -1.013 258 H ASP 35 H ASP 35 10.916 -1.846 -1.925 259 HA ASP 35 HA ASP 35 11.045 -0.960 -4.646 260 HB2 ASP 35 1HB ASP 35 9.459 -3.042 -3.127 261 HB3 ASP 35 2HB ASP 35 8.895 -2.534 -4.714 262 H LEU 36 H LEU 36 8.495 -0.724 -2.109 263 HA LEU 36 HA LEU 36 6.624 0.616 -3.790 264 HB2 LEU 36 1HB LEU 36 6.962 0.569 -0.770 265 HB3 LEU 36 2HB LEU 36 5.643 1.416 -1.574 266 HG LEU 36 HG LEU 36 6.126 -1.569 -1.933 267 HD11 LEU 36 1HD1 LEU 36 4.235 -1.860 -0.358 268 HD12 LEU 36 2HD1 LEU 36 5.610 -1.070 0.419 269 HD13 LEU 36 3HD1 LEU 36 4.210 -0.102 -0.067 270 HD21 LEU 36 3HD2 LEU 36 3.798 -1.552 -2.752 271 HD22 LEU 36 1HD2 LEU 36 3.769 0.218 -2.623 272 HD23 LEU 36 2HD2 LEU 36 4.878 -0.570 -3.772 273 H ASN 37 H ASN 37 9.096 1.966 -1.507 274 HA ASN 37 HA ASN 37 8.514 4.711 -1.933 275 HB2 ASN 37 1HB ASN 37 10.965 3.149 -1.069 276 HB3 ASN 37 2HB ASN 37 11.082 4.824 -1.433 277 HD21 ASN 37 1HD2 ASN 37 10.272 2.605 0.964 278 HD22 ASN 37 2HD2 ASN 37 9.826 3.728 2.224 279 H GLN 38 H GLN 38 10.292 2.299 -3.950 280 HA GLN 38 HA GLN 38 11.683 4.249 -5.547 281 HB2 GLN 38 1HB GLN 38 11.370 1.305 -5.269 282 HB3 GLN 38 2HB GLN 38 11.602 1.815 -6.890 283 HG2 GLN 38 1HG GLN 38 13.444 3.013 -4.892 284 HG3 GLN 38 2HG GLN 38 13.475 1.266 -4.875 285 HE21 GLN 38 1HE2 GLN 38 15.873 1.894 -5.417 286 HE22 GLN 38 2HE2 GLN 38 16.214 1.765 -7.131 287 H MET 39 H MET 39 8.566 2.297 -5.841 288 HA MET 39 HA MET 39 8.016 3.102 -8.471 289 HB2 MET 39 1HB MET 39 6.213 2.340 -6.156 290 HB3 MET 39 2HB MET 39 5.692 2.464 -7.850 291 HG2 MET 39 1HG MET 39 6.941 0.576 -8.502 292 HG3 MET 39 2HG MET 39 7.999 0.697 -7.098 293 HE1 MET 39 3HE MET 39 4.053 -0.383 -7.926 294 HE2 MET 39 1HE MET 39 3.629 -0.336 -6.204 295 HE3 MET 39 2HE MET 39 4.245 1.115 -7.013 296 H THR 40 H THR 40 7.338 4.735 -5.354 297 HA THR 40 HA THR 40 5.711 6.774 -6.725 298 HB THR 40 HB THR 40 5.008 5.843 -4.597 299 HG1 THR 40 1HG THR 40 5.642 8.593 -4.504 300 HG21 THR 40 3HG2 THR 40 7.131 5.431 -3.516 301 HG22 THR 40 1HG2 THR 40 7.456 7.170 -3.382 302 HG23 THR 40 2HG2 THR 40 6.102 6.445 -2.488 303 H GLY 41 H GLY 41 9.076 6.354 -6.294 304 HA2 GLY 41 1HA GLY 41 10.756 7.827 -6.864 305 HA3 GLY 41 2HA GLY 41 9.543 9.059 -7.204 306 H PHE 42 H PHE 42 9.925 7.380 -4.095 307 HA PHE 42 HA PHE 42 9.878 9.753 -2.512 308 HB2 PHE 42 1HB PHE 42 9.193 7.735 -1.464 309 HB3 PHE 42 2HB PHE 42 10.607 6.883 -2.051 310 HD1 PHE 42 1HD PHE 42 9.803 9.846 0.278 311 HD2 PHE 42 2HD PHE 42 12.419 6.515 -0.712 312 HE1 PHE 42 1HE PHE 42 11.340 10.545 1.953 313 HE2 PHE 42 2HE PHE 42 13.832 7.097 1.171 314 HZ PHE 42 HZ PHE 42 13.326 9.147 2.522 315 H THR 43 H THR 43 11.491 11.018 -1.544 316 HA THR 43 HA THR 43 14.332 10.260 -1.805 317 HB THR 43 HB THR 43 12.997 12.884 -2.699 318 HG1 THR 43 1HG THR 43 13.618 10.583 -4.065 319 HG21 THR 43 3HG2 THR 43 15.891 11.987 -2.916 320 HG22 THR 43 1HG2 THR 43 15.174 13.383 -3.768 321 HG23 THR 43 2HG2 THR 43 15.219 13.380 -2.015 322 H LYS 44 H LYS 44 15.424 10.750 0.019 323 HA LYS 44 HA LYS 44 14.111 12.098 2.284 324 HB2 LYS 44 1HB LYS 44 16.651 10.620 1.698 325 HB3 LYS 44 2HB LYS 44 16.777 11.861 2.924 326 HG2 LYS 44 1HG LYS 44 14.504 10.556 3.772 327 HG3 LYS 44 2HG LYS 44 15.394 9.237 2.997 328 HD2 LYS 44 1HD LYS 44 17.330 9.707 4.449 329 HD3 LYS 44 2HD LYS 44 16.449 11.036 5.219 330 HE2 LYS 44 1HE LYS 44 15.459 8.147 5.191 331 HE3 LYS 44 2HE LYS 44 16.511 8.781 6.451 332 HZ1 LYS 44 3HZ LYS 44 14.822 10.309 7.135 333 HZ2 LYS 44 1HZ LYS 44 13.814 9.894 5.919 334 HZ3 LYS 44 2HZ LYS 44 14.172 8.848 7.105 335 HA PRO 45 HA PRO 45 15.461 13.038 4.071 336 HB2 PRO 45 1HB PRO 45 14.922 15.290 5.377 337 HB3 PRO 45 2HB PRO 45 16.615 14.837 4.944 338 HG2 PRO 45 1HG PRO 45 14.799 16.776 3.486 339 HG3 PRO 45 2HG PRO 45 16.529 16.965 3.911 340 HD2 PRO 45 1HD PRO 45 15.688 16.150 1.441 341 HD3 PRO 45 2HD PRO 45 17.165 15.470 2.189 342 H ALA 46 H ALA 46 13.568 12.086 4.656 343 HA ALA 46 HA ALA 46 11.286 12.827 3.208 344 HB1 ALA 46 1HB ALA 46 11.192 10.901 5.568 345 HB2 ALA 46 2HB ALA 46 10.311 10.850 4.033 346 HB3 ALA 46 3HB ALA 46 12.018 10.465 4.058 347 H SER 47 H SER 47 9.373 13.916 3.847 348 HA SER 47 HA SER 47 9.535 15.772 6.041 349 HB2 SER 47 1HB SER 47 7.141 16.233 5.285 350 HB3 SER 47 2HB SER 47 8.407 16.430 4.065 351 HG SER 47 HG SER 47 6.631 15.267 3.224 352 H ARG 48 H ARG 48 8.322 12.541 5.675 353 HA ARG 48 HA ARG 48 7.928 12.204 8.470 354 HB2 ARG 48 1HB ARG 48 5.538 11.302 8.195 355 HB3 ARG 48 2HB ARG 48 5.702 13.052 8.228 356 HG2 ARG 48 1HG ARG 48 5.193 13.317 5.976 357 HG3 ARG 48 2HG ARG 48 5.799 11.728 5.550 358 HD2 ARG 48 1HD ARG 48 3.352 11.888 5.308 359 HD3 ARG 48 2HD ARG 48 3.883 10.610 6.367 360 HE ARG 48 HE ARG 48 2.720 11.628 8.117 361 HH11 ARG 48 2HH2 ARG 48 2.568 13.885 5.411 362 HH12 ARG 48 1HH2 ARG 48 2.321 15.300 6.374 363 HH21 ARG 48 2HH1 ARG 48 2.403 13.554 9.468 364 HH22 ARG 48 1HH1 ARG 48 2.185 15.089 8.711 365 H GLU 49 H GLU 49 7.207 9.908 8.819 366 HA GLU 49 HA GLU 49 8.090 8.043 6.691 367 HB2 GLU 49 1HB GLU 49 9.107 8.233 9.546 368 HB3 GLU 49 2HB GLU 49 9.213 6.746 8.583 369 HG2 GLU 49 1HG GLU 49 10.669 7.672 6.993 370 HG3 GLU 49 2HG GLU 49 10.325 9.333 7.464 371 H LEU 50 H LEU 50 6.148 7.275 6.292 372 HA LEU 50 HA LEU 50 4.129 6.645 8.381 373 HB2 LEU 50 1HB LEU 50 4.201 5.941 5.438 374 HB3 LEU 50 2HB LEU 50 2.804 5.783 6.489 375 HG LEU 50 HG LEU 50 4.096 8.445 5.810 376 HD11 LEU 50 1HD1 LEU 50 2.318 8.795 4.172 377 HD12 LEU 50 2HD1 LEU 50 3.275 7.386 3.740 378 HD13 LEU 50 3HD1 LEU 50 1.657 7.187 4.488 379 HD21 LEU 50 3HD2 LEU 50 2.668 8.440 7.848 380 HD22 LEU 50 1HD2 LEU 50 1.934 9.393 6.550 381 HD23 LEU 50 2HD2 LEU 50 1.334 7.775 6.884 382 H SER 51 H SER 51 3.453 4.341 8.604 383 HA SER 51 HA SER 51 5.416 2.362 7.582 384 HB2 SER 51 1HB SER 51 5.531 3.201 10.163 385 HB3 SER 51 2HB SER 51 4.331 1.911 10.333 386 HG SER 51 HG SER 51 6.962 1.856 9.298 387 H VAL 52 H VAL 52 4.689 0.273 7.186 388 HA VAL 52 HA VAL 52 1.725 -0.025 7.016 389 HB VAL 52 HB VAL 52 4.036 -1.368 5.553 390 HG11 VAL 52 1HG1 VAL 52 2.126 -2.872 5.564 391 HG12 VAL 52 2HG1 VAL 52 1.027 -1.559 5.078 392 HG13 VAL 52 3HG1 VAL 52 2.264 -2.165 3.959 393 HG21 VAL 52 3HG2 VAL 52 3.445 -0.131 3.570 394 HG22 VAL 52 1HG2 VAL 52 2.152 0.727 4.418 395 HG23 VAL 52 2HG2 VAL 52 3.849 1.005 4.847 396 H THR 53 H THR 53 0.859 -2.076 7.881 397 HA THR 53 HA THR 53 2.810 -3.841 9.237 398 HB THR 53 HB THR 53 1.108 -4.134 11.002 399 HG1 THR 53 1HG THR 53 -0.719 -3.348 10.196 400 HG21 THR 53 3HG2 THR 53 2.154 -1.271 10.761 401 HG22 THR 53 1HG2 THR 53 1.660 -2.090 12.260 402 HG23 THR 53 2HG2 THR 53 3.071 -2.672 11.360 403 H PHE 54 H PHE 54 2.399 -6.014 8.911 404 HA PHE 54 HA PHE 54 0.466 -6.665 6.789 405 HB2 PHE 54 1HB PHE 54 2.474 -8.381 8.309 406 HB3 PHE 54 2HB PHE 54 1.556 -8.871 6.894 407 HD1 PHE 54 2HD PHE 54 1.810 -7.228 4.795 408 HD2 PHE 54 1HD PHE 54 4.686 -7.632 7.955 409 HE1 PHE 54 2HE PHE 54 3.585 -6.328 3.288 410 HE2 PHE 54 1HE PHE 54 6.481 -6.911 6.416 411 HZ PHE 54 HZ PHE 54 5.927 -6.176 4.094 412 H PHE 55 H PHE 55 -1.571 -7.547 7.201 413 HA PHE 55 HA PHE 55 -2.569 -7.660 9.751 414 HB2 PHE 55 1HB PHE 55 -3.541 -8.161 7.155 415 HB3 PHE 55 2HB PHE 55 -3.883 -9.620 8.059 416 HD1 PHE 55 2HD PHE 55 -4.003 -5.973 9.047 417 HD2 PHE 55 1HD PHE 55 -6.120 -9.702 8.605 418 HE1 PHE 55 2HE PHE 55 -6.064 -4.923 9.954 419 HE2 PHE 55 1HE PHE 55 -8.143 -8.660 9.596 420 HZ PHE 55 HZ PHE 55 -8.121 -6.275 10.265 421 HA PRO 56 HA PRO 56 -3.906 -8.649 11.086 422 HB2 PRO 56 1HB PRO 56 -4.279 -9.938 13.440 423 HB3 PRO 56 2HB PRO 56 -5.006 -10.501 11.923 424 HG2 PRO 56 1HG PRO 56 -2.581 -11.564 13.373 425 HG3 PRO 56 2HG PRO 56 -3.856 -12.475 12.514 426 HD2 PRO 56 1HD PRO 56 -1.343 -11.765 11.442 427 HD3 PRO 56 2HD PRO 56 -2.776 -12.211 10.478 428 H ASP 57 H ASP 57 -2.271 -6.968 11.135 429 HA ASP 57 HA ASP 57 -1.831 -6.084 13.790 430 HB2 ASP 57 1HB ASP 57 0.426 -7.006 13.385 431 HB3 ASP 57 2HB ASP 57 0.505 -6.182 11.827 432 H LEU 58 H LEU 58 -2.320 -3.967 13.677 433 HA LEU 58 HA LEU 58 -2.543 -2.551 11.114 434 HB2 LEU 58 1HB LEU 58 -4.867 -1.811 11.791 435 HB3 LEU 58 2HB LEU 58 -4.682 -3.414 11.126 436 HG LEU 58 HG LEU 58 -4.624 -3.180 14.121 437 HD11 LEU 58 1HD1 LEU 58 -6.501 -1.722 13.491 438 HD12 LEU 58 2HD1 LEU 58 -7.182 -3.012 12.468 439 HD13 LEU 58 3HD1 LEU 58 -7.088 -3.213 14.229 440 HD21 LEU 58 3HD2 LEU 58 -4.420 -5.450 12.940 441 HD22 LEU 58 1HD2 LEU 58 -5.783 -5.328 14.051 442 HD23 LEU 58 2HD2 LEU 58 -6.037 -5.199 12.300 443 H ASN 59 H ASN 59 -0.727 -2.420 13.533 444 HA ASN 59 HA ASN 59 -1.550 -0.058 14.998 445 HB2 ASN 59 1HB ASN 59 1.066 -1.629 14.861 446 HB3 ASN 59 2HB ASN 59 0.947 -0.101 15.731 447 HD21 ASN 59 1HD2 ASN 59 -0.950 -3.004 15.377 448 HD22 ASN 59 2HD2 ASN 59 -1.549 -3.127 17.058 449 H GLY 60 H GLY 60 0.208 -0.578 12.133 450 HA2 GLY 60 1HA GLY 60 1.782 1.802 12.015 451 HA3 GLY 60 2HA GLY 60 1.296 0.877 10.593 452 H ASP 61 H ASP 61 1.545 3.472 10.016 453 HA ASP 61 HA ASP 61 -0.974 4.891 10.193 454 HB2 ASP 61 1HB ASP 61 1.501 5.680 9.302 455 HB3 ASP 61 2HB ASP 61 0.695 5.357 7.784 456 H VAL 62 H VAL 62 0.303 2.321 8.202 457 HA VAL 62 HA VAL 62 -2.191 2.199 6.570 458 HB VAL 62 HB VAL 62 0.720 1.777 5.800 459 HG11 VAL 62 1HG1 VAL 62 -1.755 1.161 4.151 460 HG12 VAL 62 2HG1 VAL 62 -0.225 1.608 3.396 461 HG13 VAL 62 3HG1 VAL 62 -0.302 0.195 4.421 462 HG21 VAL 62 3HG2 VAL 62 -1.279 3.943 5.085 463 HG22 VAL 62 1HG2 VAL 62 0.287 4.109 5.879 464 HG23 VAL 62 2HG2 VAL 62 0.213 3.676 4.177 465 H VAL 63 H VAL 63 -2.304 -0.174 5.548 466 HA VAL 63 HA VAL 63 -1.229 -2.227 7.363 467 HB VAL 63 HB VAL 63 -4.110 -2.093 6.405 468 HG11 VAL 63 1HG1 VAL 63 -4.511 -3.975 7.988 469 HG12 VAL 63 2HG1 VAL 63 -3.487 -4.427 6.650 470 HG13 VAL 63 3HG1 VAL 63 -2.751 -4.109 8.242 471 HG21 VAL 63 3HG2 VAL 63 -3.878 -0.474 8.186 472 HG22 VAL 63 1HG2 VAL 63 -4.684 -1.872 8.868 473 HG23 VAL 63 2HG2 VAL 63 -2.954 -1.626 9.194 474 H ALA 64 H ALA 64 -1.266 -4.358 6.194 475 HA ALA 64 HA ALA 64 -1.526 -4.243 3.231 476 HB1 ALA 64 1HB ALA 64 0.843 -4.185 3.652 477 HB2 ALA 64 2HB ALA 64 0.699 -5.407 4.918 478 HB3 ALA 64 3HB ALA 64 0.416 -5.854 3.212 479 H ILE 65 H ILE 65 -2.569 -5.977 2.396 480 HA ILE 65 HA ILE 65 -3.710 -7.993 4.232 481 HB ILE 65 HB ILE 65 -5.005 -6.373 2.014 482 HG12 ILE 65 1HG1 ILE 65 -4.932 -5.192 4.186 483 HG13 ILE 65 2HG1 ILE 65 -6.567 -5.555 3.655 484 HG21 ILE 65 1HG2 ILE 65 -5.803 -8.641 1.775 485 HG22 ILE 65 2HG2 ILE 65 -6.206 -8.742 3.495 486 HG23 ILE 65 3HG2 ILE 65 -7.098 -7.629 2.433 487 HD11 ILE 65 3HD1 ILE 65 -5.047 -7.121 5.780 488 HD12 ILE 65 1HD1 ILE 65 -6.256 -5.874 6.089 489 HD13 ILE 65 2HD1 ILE 65 -6.743 -7.379 5.301 490 H ASP 66 H ASP 66 -3.634 -10.112 3.303 491 HA ASP 66 HA ASP 66 -1.639 -10.523 1.433 492 HB2 ASP 66 1HB ASP 66 -2.210 -12.817 1.510 493 HB3 ASP 66 2HB ASP 66 -2.252 -12.130 3.121 494 H TYR 67 H TYR 67 -1.539 -11.076 -0.605 495 HA TYR 67 HA TYR 67 -3.163 -9.976 -2.568 496 HB2 TYR 67 1HB TYR 67 -0.988 -10.540 -3.197 497 HB3 TYR 67 2HB TYR 67 -1.020 -12.102 -2.398 498 HD1 TYR 67 2HD TYR 67 -2.074 -14.081 -3.415 499 HD2 TYR 67 1HD TYR 67 -1.797 -10.336 -5.525 500 HE1 TYR 67 2HE TYR 67 -2.413 -15.275 -5.572 501 HE2 TYR 67 1HE TYR 67 -2.257 -11.513 -7.673 502 HH TYR 67 HH TYR 67 -3.502 -14.177 -8.117 503 H ARG 68 H ARG 68 -3.981 -12.765 -0.767 504 HA ARG 68 HA ARG 68 -5.465 -14.343 -2.674 505 HB2 ARG 68 1HB ARG 68 -5.804 -13.839 0.301 506 HB3 ARG 68 2HB ARG 68 -6.543 -15.182 -0.553 507 HG2 ARG 68 1HG ARG 68 -3.501 -14.765 -0.353 508 HG3 ARG 68 2HG ARG 68 -4.479 -15.616 0.840 509 HD2 ARG 68 1HD ARG 68 -5.172 -17.252 -0.717 510 HD3 ARG 68 2HD ARG 68 -4.688 -16.289 -2.101 511 HE ARG 68 HE ARG 68 -2.703 -17.483 -0.220 512 HH11 ARG 68 2HH2 ARG 68 -4.028 -17.308 -3.539 513 HH12 ARG 68 1HH2 ARG 68 -2.696 -18.077 -4.281 514 HH21 ARG 68 2HH1 ARG 68 -1.015 -18.716 -1.189 515 HH22 ARG 68 1HH1 ARG 68 -0.993 -19.030 -2.863 516 H HIS 69 H HIS 69 -6.271 -11.761 -0.437 517 HA HIS 69 HA HIS 69 -9.029 -11.499 -1.214 518 HB2 HIS 69 1HB HIS 69 -7.103 -9.834 0.367 519 HB3 HIS 69 2HB HIS 69 -8.669 -9.167 -0.087 520 HD1 HIS 69 1HD HIS 69 -7.175 -12.004 2.061 521 HD2 HIS 69 2HD HIS 69 -10.803 -10.009 1.187 522 HE1 HIS 69 1HE HIS 69 -8.919 -12.855 3.737 523 H TYR 70 H TYR 70 -6.385 -10.772 -3.237 524 HA TYR 70 HA TYR 70 -7.306 -8.252 -4.282 525 HB2 TYR 70 1HB TYR 70 -4.955 -8.942 -4.378 526 HB3 TYR 70 2HB TYR 70 -5.396 -10.303 -5.403 527 HD1 TYR 70 2HD TYR 70 -7.116 -7.138 -6.239 528 HD2 TYR 70 1HD TYR 70 -3.661 -9.628 -6.900 529 HE1 TYR 70 2HE TYR 70 -6.637 -5.918 -8.331 530 HE2 TYR 70 1HE TYR 70 -3.153 -8.412 -8.982 531 HH TYR 70 HH TYR 70 -4.224 -7.013 -10.610 532 H SER 71 H SER 71 -9.495 -8.622 -4.696 533 HA SER 71 HA SER 71 -10.142 -10.208 -7.097 534 HB2 SER 71 1HB SER 71 -11.675 -9.934 -5.012 535 HB3 SER 71 2HB SER 71 -12.051 -8.340 -5.666 536 HG SER 71 HG SER 71 -13.420 -10.178 -6.335 537 H ALA 72 H ALA 72 -11.592 -9.059 -8.654 538 HA ALA 72 HA ALA 72 -10.111 -6.905 -9.986 539 HB1 ALA 72 1HB ALA 72 -12.796 -8.222 -10.638 540 HB2 ALA 72 2HB ALA 72 -11.824 -7.236 -11.736 541 HB3 ALA 72 3HB ALA 72 -11.213 -8.805 -11.211 542 H SER 73 H SER 73 -12.834 -7.020 -7.705 543 HA SER 73 HA SER 73 -14.129 -4.628 -8.275 544 HB2 SER 73 1HB SER 73 -13.625 -5.200 -5.400 545 HB3 SER 73 2HB SER 73 -15.143 -5.032 -6.267 546 HG SER 73 HG SER 73 -14.958 -7.182 -5.637 547 H PHE 74 H PHE 74 -11.018 -5.251 -6.809 548 HA PHE 74 HA PHE 74 -10.733 -2.529 -5.742 549 HB2 PHE 74 1HB PHE 74 -8.876 -4.888 -5.409 550 HB3 PHE 74 2HB PHE 74 -8.982 -3.452 -4.431 551 HD1 PHE 74 1HD PHE 74 -11.261 -3.044 -3.070 552 HD2 PHE 74 2HD PHE 74 -10.132 -6.808 -4.814 553 HE1 PHE 74 1HE PHE 74 -12.798 -4.230 -1.517 554 HE2 PHE 74 2HE PHE 74 -11.748 -7.969 -3.315 555 HZ PHE 74 HZ PHE 74 -13.063 -6.684 -1.675 556 H LYS 75 H LYS 75 -10.380 -3.093 -8.829 557 HA LYS 75 HA LYS 75 -7.631 -3.319 -9.385 558 HB2 LYS 75 1HB LYS 75 -8.559 -3.802 -11.318 559 HB3 LYS 75 2HB LYS 75 -10.145 -3.297 -10.750 560 HG2 LYS 75 1HG LYS 75 -9.526 -0.937 -11.436 561 HG3 LYS 75 2HG LYS 75 -8.093 -1.656 -12.189 562 HD2 LYS 75 1HD LYS 75 -9.597 -3.004 -13.648 563 HD3 LYS 75 2HD LYS 75 -10.985 -2.133 -12.915 564 HE2 LYS 75 1HE LYS 75 -9.878 0.028 -13.528 565 HE3 LYS 75 2HE LYS 75 -8.573 -0.841 -14.301 566 HZ1 LYS 75 3HZ LYS 75 -11.451 -1.055 -15.063 567 HZ2 LYS 75 1HZ LYS 75 -10.443 -0.057 -15.813 568 HZ3 LYS 75 2HZ LYS 75 -10.218 -1.703 -15.927 569 H LYS 76 H LYS 76 -9.385 -0.550 -8.368 570 HA LYS 76 HA LYS 76 -7.230 1.272 -9.376 571 HB2 LYS 76 1HB LYS 76 -10.050 1.943 -8.642 572 HB3 LYS 76 2HB LYS 76 -8.757 3.073 -9.132 573 HG2 LYS 76 1HG LYS 76 -8.597 1.633 -11.279 574 HG3 LYS 76 2HG LYS 76 -10.154 0.945 -10.751 575 HD2 LYS 76 1HD LYS 76 -11.138 3.198 -10.684 576 HD3 LYS 76 2HD LYS 76 -9.624 3.883 -11.266 577 HE2 LYS 76 1HE LYS 76 -10.742 3.627 -13.286 578 HE3 LYS 76 2HE LYS 76 -9.815 2.120 -13.187 579 HZ1 LYS 76 3HZ LYS 76 -12.000 1.564 -13.806 580 HZ2 LYS 76 1HZ LYS 76 -12.024 1.173 -12.202 581 HZ3 LYS 76 2HZ LYS 76 -12.695 2.559 -12.763 582 H GLY 77 H GLY 77 -7.847 -0.470 -6.670 583 HA2 GLY 77 1HA GLY 77 -6.231 -0.119 -4.850 584 HA3 GLY 77 2HA GLY 77 -6.707 1.586 -4.826 585 H ALA 78 H ALA 78 -6.877 0.008 -2.506 586 HA ALA 78 HA ALA 78 -9.785 0.111 -2.000 587 HB1 ALA 78 1HB ALA 78 -8.056 -2.349 -1.475 588 HB2 ALA 78 2HB ALA 78 -9.763 -2.154 -1.013 589 HB3 ALA 78 3HB ALA 78 -9.307 -2.200 -2.717 590 H LYS 79 H LYS 79 -10.163 -0.385 0.372 591 HA LYS 79 HA LYS 79 -8.028 0.336 2.220 592 HB2 LYS 79 1HB LYS 79 -10.099 1.738 3.296 593 HB3 LYS 79 2HB LYS 79 -8.842 2.463 2.303 594 HG2 LYS 79 1HG LYS 79 -10.218 2.558 0.385 595 HG3 LYS 79 2HG LYS 79 -11.407 1.466 1.044 596 HD2 LYS 79 1HD LYS 79 -11.042 3.869 2.705 597 HD3 LYS 79 2HD LYS 79 -11.505 4.238 1.050 598 HE2 LYS 79 1HE LYS 79 -13.581 3.953 1.832 599 HE3 LYS 79 2HE LYS 79 -13.278 2.268 1.423 600 HZ1 LYS 79 3HZ LYS 79 -14.259 2.658 3.646 601 HZ2 LYS 79 1HZ LYS 79 -12.808 1.881 3.808 602 HZ3 LYS 79 2HZ LYS 79 -12.963 3.485 4.136 603 H LEU 80 H LEU 80 -9.051 0.079 4.434 604 HA LEU 80 HA LEU 80 -10.738 -2.361 4.623 605 HB2 LEU 80 1HB LEU 80 -8.167 -2.302 5.383 606 HB3 LEU 80 2HB LEU 80 -8.794 -1.325 6.705 607 HG LEU 80 HG LEU 80 -10.310 -3.318 7.215 608 HD11 LEU 80 1HD1 LEU 80 -9.638 -5.514 6.375 609 HD12 LEU 80 2HD1 LEU 80 -10.130 -4.466 5.055 610 HD13 LEU 80 3HD1 LEU 80 -8.406 -4.766 5.330 611 HD21 LEU 80 3HD2 LEU 80 -8.563 -4.511 8.420 612 HD22 LEU 80 1HD2 LEU 80 -7.306 -3.813 7.382 613 HD23 LEU 80 2HD2 LEU 80 -8.231 -2.774 8.489 614 H LEU 81 H LEU 81 -11.193 -1.894 7.338 615 HA LEU 81 HA LEU 81 -13.456 -0.574 7.623 616 HB2 LEU 81 1HB LEU 81 -11.898 -1.944 9.256 617 HB3 LEU 81 2HB LEU 81 -11.377 -0.407 9.825 618 HG LEU 81 HG LEU 81 -13.015 -1.223 11.264 619 HD11 LEU 81 1HD1 LEU 81 -14.523 0.845 9.581 620 HD12 LEU 81 2HD1 LEU 81 -14.768 0.494 11.293 621 HD13 LEU 81 3HD1 LEU 81 -13.260 1.249 10.774 622 HD21 LEU 81 3HD2 LEU 81 -14.096 -2.850 9.868 623 HD22 LEU 81 1HD2 LEU 81 -15.268 -1.848 10.717 624 HD23 LEU 81 2HD2 LEU 81 -14.967 -1.554 9.005 625 H HIS 82 H HIS 82 -10.439 1.026 8.741 626 HA HIS 82 HA HIS 82 -11.375 3.574 7.599 627 HB2 HIS 82 1HB HIS 82 -11.274 4.800 9.617 628 HB3 HIS 82 2HB HIS 82 -12.347 3.442 9.900 629 HD1 HIS 82 1HD HIS 82 -9.522 5.182 11.423 630 HD2 HIS 82 2HD HIS 82 -11.024 1.246 11.279 631 HE1 HIS 82 1HE HIS 82 -8.404 3.905 13.359 632 H LYS 83 H LYS 83 -9.058 1.568 7.230 633 HA LYS 83 HA LYS 83 -6.975 3.625 7.103 634 HB2 LYS 83 1HB LYS 83 -6.941 0.835 8.333 635 HB3 LYS 83 2HB LYS 83 -5.491 1.507 7.622 636 HG2 LYS 83 1HG LYS 83 -6.494 3.621 9.208 637 HG3 LYS 83 2HG LYS 83 -6.879 2.195 10.157 638 HD2 LYS 83 1HD LYS 83 -4.192 2.654 8.867 639 HD3 LYS 83 2HD LYS 83 -4.526 3.273 10.492 640 HE2 LYS 83 1HE LYS 83 -4.881 1.114 11.403 641 HE3 LYS 83 2HE LYS 83 -4.936 0.345 9.812 642 HZ1 LYS 83 3HZ LYS 83 -2.583 0.625 9.588 643 HZ2 LYS 83 1HZ LYS 83 -2.525 1.712 10.818 644 HZ3 LYS 83 2HZ LYS 83 -2.826 0.168 11.161 645 HA PRO 84 HA PRO 84 -6.564 1.967 2.997 646 HB2 PRO 84 1HB PRO 84 -3.992 2.561 2.361 647 HB3 PRO 84 2HB PRO 84 -5.209 3.839 2.692 648 HG2 PRO 84 1HG PRO 84 -3.139 2.678 4.555 649 HG3 PRO 84 2HG PRO 84 -3.488 4.393 4.245 650 HD2 PRO 84 1HD PRO 84 -4.472 2.944 6.369 651 HD3 PRO 84 2HD PRO 84 -5.390 4.295 5.677 652 H ILE 85 H ILE 85 -5.369 0.310 1.636 653 HA ILE 85 HA ILE 85 -3.857 -1.678 3.201 654 HB ILE 85 HB ILE 85 -5.165 -3.548 2.594 655 HG12 ILE 85 1HG1 ILE 85 -7.485 -2.847 1.304 656 HG13 ILE 85 2HG1 ILE 85 -6.378 -1.743 0.520 657 HG21 ILE 85 1HG2 ILE 85 -7.300 -3.210 3.593 658 HG22 ILE 85 2HG2 ILE 85 -5.972 -2.481 4.498 659 HG23 ILE 85 3HG2 ILE 85 -7.065 -1.457 3.542 660 HD11 ILE 85 3HD1 ILE 85 -4.940 -3.703 -0.127 661 HD12 ILE 85 1HD1 ILE 85 -6.079 -4.783 0.702 662 HD13 ILE 85 2HD1 ILE 85 -6.594 -3.877 -0.723 663 H VAL 86 H VAL 86 -2.629 -3.141 1.851 664 HA VAL 86 HA VAL 86 -2.451 -2.578 -1.021 665 HB VAL 86 HB VAL 86 0.032 -2.852 -0.929 666 HG11 VAL 86 1HG1 VAL 86 0.511 -0.587 -0.537 667 HG12 VAL 86 2HG1 VAL 86 -1.124 -0.687 -1.190 668 HG13 VAL 86 3HG1 VAL 86 -0.892 -0.392 0.557 669 HG21 VAL 86 3HG2 VAL 86 1.301 -2.409 1.087 670 HG22 VAL 86 1HG2 VAL 86 -0.185 -2.278 2.054 671 HG23 VAL 86 2HG2 VAL 86 0.288 -3.832 1.328 672 H TRP 87 H TRP 87 -1.263 -4.392 -2.106 673 HA TRP 87 HA TRP 87 -1.993 -6.974 -0.870 674 HB2 TRP 87 1HB TRP 87 -0.920 -6.360 -3.656 675 HB3 TRP 87 2HB TRP 87 -1.691 -7.845 -3.104 676 HD1 TRP 87 HD TRP 87 -2.451 -4.820 -4.962 677 HE1 TRP 87 1HE TRP 87 -4.989 -4.299 -5.056 678 HE3 TRP 87 3HE TRP 87 -4.098 -7.971 -1.265 679 HZ2 TRP 87 2HZ TRP 87 -7.377 -5.120 -3.696 680 HZ3 TRP 87 3HZ TRP 87 -6.460 -8.076 -0.714 681 HH2 TRP 87 HH TRP 87 -8.146 -6.714 -1.963 682 H HIS 88 H HIS 88 -0.457 -8.230 0.019 683 HA HIS 88 HA HIS 88 2.339 -8.015 -0.963 684 HB2 HIS 88 1HB HIS 88 3.318 -8.249 1.145 685 HB3 HIS 88 2HB HIS 88 2.116 -6.978 1.366 686 HD1 HIS 88 1HD HIS 88 3.351 -9.438 3.539 687 HD2 HIS 88 2HD HIS 88 -0.450 -8.307 2.242 688 HE1 HIS 88 1HE HIS 88 1.778 -10.507 5.108 689 H ILE 89 H ILE 89 3.409 -10.119 -0.906 690 HA ILE 89 HA ILE 89 1.391 -12.326 -1.050 691 HB ILE 89 HB ILE 89 2.368 -11.142 -3.097 692 HG12 ILE 89 1HG1 ILE 89 2.744 -14.110 -3.348 693 HG13 ILE 89 2HG1 ILE 89 1.149 -13.396 -3.078 694 HG21 ILE 89 1HG2 ILE 89 4.612 -11.986 -3.879 695 HG22 ILE 89 2HG2 ILE 89 4.771 -11.207 -2.275 696 HG23 ILE 89 3HG2 ILE 89 4.768 -12.950 -2.414 697 HD11 ILE 89 3HD1 ILE 89 3.002 -12.760 -5.406 698 HD12 ILE 89 1HD1 ILE 89 1.520 -13.726 -5.453 699 HD13 ILE 89 2HD1 ILE 89 1.421 -11.998 -5.103 700 H ASN 90 H ASN 90 3.466 -11.733 1.041 701 HA ASN 90 HA ASN 90 4.458 -13.667 2.379 702 HB2 ASN 90 1HB ASN 90 6.511 -14.415 1.522 703 HB3 ASN 90 2HB ASN 90 5.236 -15.064 0.573 704 HD21 ASN 90 1HD2 ASN 90 7.619 -12.311 0.582 705 HD22 ASN 90 2HD2 ASN 90 8.071 -12.546 -1.102 706 H GLN 91 H GLN 91 3.994 -10.859 2.330 707 HA GLN 91 HA GLN 91 4.862 -8.819 2.891 708 HB2 GLN 91 1HB GLN 91 7.335 -10.257 3.851 709 HB3 GLN 91 2HB GLN 91 6.775 -8.689 4.320 710 HG2 GLN 91 1HG GLN 91 5.475 -9.519 5.948 711 HG3 GLN 91 2HG GLN 91 4.606 -10.554 4.862 712 HE21 GLN 91 1HE2 GLN 91 8.153 -10.777 5.721 713 HE22 GLN 91 2HE2 GLN 91 7.874 -12.100 6.821 714 H ALA 92 H ALA 92 5.367 -9.888 0.093 715 HA ALA 92 HA ALA 92 7.520 -7.925 -0.521 716 HB1 ALA 92 1HB ALA 92 7.148 -10.580 -1.940 717 HB2 ALA 92 2HB ALA 92 8.368 -9.341 -2.285 718 HB3 ALA 92 3HB ALA 92 8.432 -10.217 -0.746 719 H THR 93 H THR 93 7.396 -7.121 -2.721 720 HA THR 93 HA THR 93 4.666 -7.064 -3.869 721 HB THR 93 HB THR 93 5.293 -4.924 -3.038 722 HG1 THR 93 1HG THR 93 5.351 -3.785 -5.080 723 HG21 THR 93 3HG2 THR 93 7.140 -3.585 -3.876 724 HG22 THR 93 1HG2 THR 93 7.735 -4.955 -2.944 725 HG23 THR 93 2HG2 THR 93 7.828 -5.005 -4.715 726 H THR 94 H THR 94 4.760 -7.090 -6.335 727 HA THR 94 HA THR 94 7.051 -8.537 -7.529 728 HB THR 94 HB THR 94 5.338 -10.257 -8.369 729 HG1 THR 94 1HG THR 94 3.851 -9.419 -6.112 730 HG21 THR 94 3HG2 THR 94 5.922 -10.355 -5.389 731 HG22 THR 94 1HG2 THR 94 5.352 -11.700 -6.399 732 HG23 THR 94 2HG2 THR 94 6.935 -10.961 -6.720 733 H LYS 95 H LYS 95 6.529 -8.809 -10.000 734 HA LYS 95 HA LYS 95 5.173 -6.581 -11.145 735 HB2 LYS 95 1HB LYS 95 6.193 -9.175 -12.154 736 HB3 LYS 95 2HB LYS 95 4.796 -8.557 -13.035 737 HG2 LYS 95 1HG LYS 95 6.625 -7.680 -14.191 738 HG3 LYS 95 2HG LYS 95 6.000 -6.338 -13.215 739 HD2 LYS 95 1HD LYS 95 7.784 -6.885 -11.493 740 HD3 LYS 95 2HD LYS 95 8.438 -8.077 -12.642 741 HE2 LYS 95 1HE LYS 95 8.719 -6.274 -14.331 742 HE3 LYS 95 2HE LYS 95 8.040 -5.096 -13.187 743 HZ1 LYS 95 3HZ LYS 95 9.880 -5.610 -11.704 744 HZ2 LYS 95 1HZ LYS 95 10.536 -6.626 -12.870 745 HZ3 LYS 95 2HZ LYS 95 10.396 -5.015 -13.149 746 H THR 96 H THR 96 3.749 -9.528 -9.723 747 HA THR 96 HA THR 96 1.190 -9.204 -10.960 748 HB THR 96 HB THR 96 2.030 -10.592 -8.389 749 HG1 THR 96 1HG THR 96 2.792 -11.971 -9.701 750 HG21 THR 96 3HG2 THR 96 -0.508 -10.901 -10.067 751 HG22 THR 96 1HG2 THR 96 -0.007 -11.945 -8.723 752 HG23 THR 96 2HG2 THR 96 -0.401 -10.244 -8.418 753 H THR 97 H THR 97 2.643 -7.845 -7.932 754 HA THR 97 HA THR 97 0.010 -6.645 -7.302 755 HB THR 97 HB THR 97 1.032 -6.389 -5.023 756 HG1 THR 97 1HG THR 97 2.936 -8.027 -4.963 757 HG21 THR 97 3HG2 THR 97 0.842 -8.753 -4.403 758 HG22 THR 97 1HG2 THR 97 -0.409 -8.343 -5.586 759 HG23 THR 97 2HG2 THR 97 1.025 -9.261 -6.095 760 H PHE 98 H PHE 98 2.971 -5.852 -8.623 761 HA PHE 98 HA PHE 98 3.711 -3.352 -7.681 762 HB2 PHE 98 1HB PHE 98 5.241 -4.316 -9.123 763 HB3 PHE 98 2HB PHE 98 4.002 -4.919 -10.210 764 HD1 PHE 98 1HD PHE 98 5.498 -1.639 -9.162 765 HD2 PHE 98 2HD PHE 98 3.783 -4.039 -12.291 766 HE1 PHE 98 1HE PHE 98 5.925 0.204 -10.790 767 HE2 PHE 98 2HE PHE 98 4.250 -2.207 -13.937 768 HZ PHE 98 HZ PHE 98 5.327 -0.104 -13.177 769 H LYS 99 H LYS 99 1.830 -3.941 -10.653 770 HA LYS 99 HA LYS 99 0.960 -1.331 -11.124 771 HB2 LYS 99 1HB LYS 99 -0.184 -4.024 -11.788 772 HB3 LYS 99 2HB LYS 99 -1.089 -2.566 -12.198 773 HG2 LYS 99 1HG LYS 99 1.401 -1.884 -13.150 774 HG3 LYS 99 2HG LYS 99 1.413 -3.606 -13.438 775 HD2 LYS 99 1HD LYS 99 -0.820 -1.744 -14.387 776 HD3 LYS 99 2HD LYS 99 0.653 -2.040 -15.320 777 HE2 LYS 99 1HE LYS 99 0.168 -4.405 -15.529 778 HE3 LYS 99 2HE LYS 99 -1.258 -4.248 -14.479 779 HZ1 LYS 99 3HZ LYS 99 -1.790 -4.241 -16.895 780 HZ2 LYS 99 1HZ LYS 99 -2.298 -2.904 -16.102 781 HZ3 LYS 99 2HZ LYS 99 -0.987 -2.823 -17.071 782 HA PRO 100 HA PRO 100 -2.931 -1.868 -8.660 783 HB2 PRO 100 1HB PRO 100 -3.317 -3.840 -6.767 784 HB3 PRO 100 2HB PRO 100 -3.817 -4.005 -8.467 785 HG2 PRO 100 1HG PRO 100 -1.317 -4.979 -7.148 786 HG3 PRO 100 2HG PRO 100 -2.360 -5.873 -8.280 787 HD2 PRO 100 1HD PRO 100 -0.091 -4.720 -9.186 788 HD3 PRO 100 2HD PRO 100 -1.594 -4.647 -10.146 789 H ASN 101 H ASN 101 0.190 -2.483 -7.016 790 HA ASN 101 HA ASN 101 -0.638 -1.128 -4.603 791 HB2 ASN 101 1HB ASN 101 1.882 -2.306 -5.689 792 HB3 ASN 101 2HB ASN 101 1.836 -1.231 -4.344 793 HD21 ASN 101 1HD2 ASN 101 2.650 -3.803 -3.777 794 HD22 ASN 101 2HD2 ASN 101 1.328 -4.546 -2.850 795 H THR 102 H THR 102 0.937 -0.266 -7.727 796 HA THR 102 HA THR 102 1.791 2.295 -7.047 797 HB THR 102 HB THR 102 1.716 2.974 -9.214 798 HG1 THR 102 1HG THR 102 -0.222 0.906 -9.720 799 HG21 THR 102 3HG2 THR 102 3.183 1.041 -9.212 800 HG22 THR 102 1HG2 THR 102 1.776 0.028 -9.716 801 HG23 THR 102 2HG2 THR 102 2.374 1.291 -10.760 802 H TRP 103 H TRP 103 -1.541 1.288 -7.635 803 HA TRP 103 HA TRP 103 -2.694 3.942 -7.642 804 HB2 TRP 103 1HB TRP 103 -3.795 1.108 -7.295 805 HB3 TRP 103 2HB TRP 103 -4.797 2.527 -7.159 806 HD1 TRP 103 HD TRP 103 -3.028 0.422 -9.792 807 HE1 TRP 103 1HE TRP 103 -4.069 0.911 -12.064 808 HE3 TRP 103 3HE TRP 103 -5.906 4.431 -8.457 809 HZ2 TRP 103 2HZ TRP 103 -6.164 2.688 -13.107 810 HZ3 TRP 103 3HZ TRP 103 -7.504 5.431 -10.075 811 HH2 TRP 103 HH TRP 103 -7.654 4.539 -12.383 812 H CYS 104 H CYS 104 -1.773 1.616 -5.057 813 HA CYS 104 HA CYS 104 -3.272 3.014 -2.975 814 HB2 CYS 104 1HB CYS 104 -2.361 0.691 -2.615 815 HB3 CYS 104 2HB CYS 104 -0.712 1.372 -2.727 816 HG CYS 104 HG CYS 104 -0.894 1.234 -0.300 817 H LEU 105 H LEU 105 -0.024 3.143 -4.521 818 HA LEU 105 HA LEU 105 0.855 5.388 -2.881 819 HB2 LEU 105 1HB LEU 105 1.917 4.265 -5.542 820 HB3 LEU 105 2HB LEU 105 2.776 5.387 -4.542 821 HG LEU 105 HG LEU 105 2.114 2.564 -3.618 822 HD11 LEU 105 1HD1 LEU 105 3.471 2.638 -5.728 823 HD12 LEU 105 2HD1 LEU 105 4.671 3.624 -4.894 824 HD13 LEU 105 3HD1 LEU 105 4.361 1.966 -4.343 825 HD21 LEU 105 3HD2 LEU 105 2.662 4.160 -1.816 826 HD22 LEU 105 1HD2 LEU 105 3.997 3.010 -2.053 827 HD23 LEU 105 2HD2 LEU 105 4.129 4.669 -2.660 828 H ARG 106 H ARG 106 -1.519 5.309 -5.196 829 HA ARG 106 HA ARG 106 -1.048 8.266 -5.639 830 HB2 ARG 106 1HB ARG 106 -3.195 6.393 -6.819 831 HB3 ARG 106 2HB ARG 106 -3.026 8.124 -7.149 832 HG2 ARG 106 1HG ARG 106 -0.854 7.773 -8.147 833 HG3 ARG 106 2HG ARG 106 -0.932 6.021 -7.862 834 HD2 ARG 106 1HD ARG 106 -3.322 7.201 -9.225 835 HD3 ARG 106 2HD ARG 106 -1.845 7.410 -10.103 836 HE ARG 106 HE ARG 106 -3.313 5.005 -9.799 837 HH11 ARG 106 2HH2 ARG 106 -0.239 6.462 -10.868 838 HH12 ARG 106 1HH2 ARG 106 0.366 5.038 -11.596 839 HH21 ARG 106 2HH1 ARG 106 -2.628 3.152 -10.928 840 HH22 ARG 106 1HH1 ARG 106 -1.105 3.161 -11.759 841 H CYS 107 H CYS 107 -2.690 6.098 -3.559 842 HA CYS 107 HA CYS 107 -5.004 7.875 -3.129 843 HB2 CYS 107 1HB CYS 107 -5.126 5.339 -3.496 844 HB3 CYS 107 2HB CYS 107 -4.371 5.148 -1.911 845 HG CYS 107 HG CYS 107 -7.082 6.957 -2.527 846 H LEU 108 H LEU 108 -1.984 6.870 -1.740 847 HA LEU 108 HA LEU 108 -2.259 7.918 0.972 848 HB2 LEU 108 1HB LEU 108 0.116 7.147 -0.787 849 HB3 LEU 108 2HB LEU 108 0.274 7.534 0.858 850 HG LEU 108 HG LEU 108 -1.229 5.164 -0.259 851 HD11 LEU 108 1HD1 LEU 108 0.604 3.843 0.340 852 HD12 LEU 108 2HD1 LEU 108 1.249 5.228 -0.531 853 HD13 LEU 108 3HD1 LEU 108 1.399 5.210 1.225 854 HD21 LEU 108 3HD2 LEU 108 -2.199 5.820 1.899 855 HD22 LEU 108 1HD2 LEU 108 -1.296 4.309 2.062 856 HD23 LEU 108 2HD2 LEU 108 -0.597 5.848 2.642 857 H TRP 109 H TRP 109 -2.110 9.517 -2.079 858 HA TRP 109 HA TRP 109 0.017 11.383 -1.493 859 HB2 TRP 109 1HB TRP 109 -2.047 11.114 -3.718 860 HB3 TRP 109 2HB TRP 109 -1.094 12.500 -3.563 861 HD1 TRP 109 HD TRP 109 1.452 10.115 -2.850 862 HE1 TRP 109 1HE TRP 109 2.544 9.133 -4.923 863 HE3 TRP 109 3HE TRP 109 -2.037 11.372 -6.361 864 HZ2 TRP 109 2HZ TRP 109 2.210 9.226 -7.774 865 HZ3 TRP 109 3HZ TRP 109 -1.600 10.942 -8.753 866 HH2 TRP 109 HH TRP 109 0.530 9.897 -9.478 867 H SER 110 H SER 110 -0.447 13.754 -1.706 868 HA SER 110 HA SER 110 -2.573 14.488 0.218 869 HB2 SER 110 1HB SER 110 0.362 15.290 0.050 870 HB3 SER 110 2HB SER 110 -0.803 15.878 1.249 871 HG SER 110 HG SER 110 -0.943 13.697 2.018 872 H THR 111 H THR 111 -3.716 16.297 -0.356 873 HA THR 111 HA THR 111 -3.432 17.198 -3.111 874 HB THR 111 HB THR 111 -5.511 18.551 -2.365 875 HG1 THR 111 1HG THR 111 -5.363 18.422 -0.093 876 HG21 THR 111 3HG2 THR 111 -6.923 16.533 -2.468 877 HG22 THR 111 1HG2 THR 111 -5.561 16.349 -3.582 878 HG23 THR 111 2HG2 THR 111 -5.550 15.503 -2.031 879 H LYS 112 H LYS 112 -1.645 18.511 -3.506 880 HA LYS 112 HA LYS 112 -1.503 21.039 -2.063 881 HB2 LYS 112 1HB LYS 112 0.147 18.835 -1.297 882 HB3 LYS 112 2HB LYS 112 1.181 19.992 -2.124 883 HG2 LYS 112 1HG LYS 112 -0.762 20.941 -0.002 884 HG3 LYS 112 2HG LYS 112 0.761 20.219 0.471 885 HD2 LYS 112 1HD LYS 112 0.626 22.519 -1.505 886 HD3 LYS 112 2HD LYS 112 0.651 22.791 0.236 887 HE2 LYS 112 1HE LYS 112 2.791 21.203 -1.244 888 HE3 LYS 112 2HE LYS 112 2.908 22.935 -0.894 889 HZ1 LYS 112 3HZ LYS 112 4.036 21.647 0.782 890 HZ2 LYS 112 1HZ LYS 112 2.765 22.424 1.443 891 HZ3 LYS 112 2HZ LYS 112 2.715 20.782 1.136 892 HA PRO 113 HA PRO 113 -0.204 21.725 -6.394 893 HB2 PRO 113 1HB PRO 113 -1.031 24.282 -6.627 894 HB3 PRO 113 2HB PRO 113 -2.163 22.905 -6.674 895 HG2 PRO 113 1HG PRO 113 -1.543 24.733 -4.333 896 HG3 PRO 113 2HG PRO 113 -3.145 24.159 -4.895 897 HD2 PRO 113 1HD PRO 113 -1.667 22.986 -2.838 898 HD3 PRO 113 2HD PRO 113 -2.894 22.114 -3.815 899 H VAL 114 H VAL 114 1.223 23.773 -7.247 900 HA VAL 114 HA VAL 114 3.303 24.144 -7.414 901 HB VAL 114 HB VAL 114 3.893 26.116 -6.432 902 HG11 VAL 114 1HG1 VAL 114 2.129 26.126 -8.124 903 HG12 VAL 114 2HG1 VAL 114 0.913 26.217 -6.833 904 HG13 VAL 114 3HG1 VAL 114 2.085 27.533 -7.057 905 HG21 VAL 114 3HG2 VAL 114 3.239 25.687 -4.008 906 HG22 VAL 114 1HG2 VAL 114 2.792 27.290 -4.619 907 HG23 VAL 114 2HG2 VAL 114 1.563 26.020 -4.487 908 H ASP 115 H ASP 115 2.923 21.834 -5.589 909 HA ASP 115 HA ASP 115 5.804 21.706 -4.881 910 HB2 ASP 115 1HB ASP 115 4.284 21.749 -2.856 911 HB3 ASP 115 2HB ASP 115 3.558 20.237 -3.448 912 H THR 116 H THR 116 3.964 21.027 -7.251 913 HA THR 116 HA THR 116 4.583 18.144 -7.586 914 HB THR 116 HB THR 116 2.458 19.910 -8.827 915 HG1 THR 116 1HG THR 116 2.265 18.874 -6.673 916 HG21 THR 116 3HG2 THR 116 3.168 17.019 -9.482 917 HG22 THR 116 1HG2 THR 116 1.721 17.858 -10.051 918 HG23 THR 116 2HG2 THR 116 3.308 18.409 -10.574 Start of MODEL 20 1 H1 MET 1 H MET 1 -10.059 -17.508 3.463 2 HA MET 1 HA MET 1 -9.122 -18.527 1.507 3 HB2 MET 1 1HB MET 1 -8.719 -19.430 3.863 4 HB3 MET 1 2HB MET 1 -9.722 -20.811 3.410 5 HG2 MET 1 1HG MET 1 -7.347 -19.879 1.776 6 HG3 MET 1 2HG MET 1 -7.134 -20.858 3.202 7 HE1 MET 1 3HE MET 1 -6.319 -23.293 0.268 8 HE2 MET 1 1HE MET 1 -6.009 -21.550 0.338 9 HE3 MET 1 2HE MET 1 -5.716 -22.561 1.773 10 H TYR 2 H TYR 2 -12.052 -20.467 2.528 11 HA TYR 2 HA TYR 2 -12.578 -21.097 -0.180 12 HB2 TYR 2 1HB TYR 2 -14.345 -22.369 0.165 13 HB3 TYR 2 2HB TYR 2 -13.144 -22.759 1.382 14 HD1 TYR 2 1HD TYR 2 -13.748 -20.382 2.952 15 HD2 TYR 2 2HD TYR 2 -16.332 -23.158 1.236 16 HE1 TYR 2 1HE TYR 2 -15.370 -19.910 4.909 17 HE2 TYR 2 2HE TYR 2 -18.056 -22.764 3.027 18 HH TYR 2 HH TYR 2 -17.301 -21.266 5.994 19 H THR 3 H THR 3 -15.265 -19.884 1.587 20 HA THR 3 HA THR 3 -15.808 -17.689 -0.304 21 HB THR 3 HB THR 3 -17.476 -19.782 1.160 22 HG1 THR 3 1HG THR 3 -16.701 -19.296 -1.513 23 HG21 THR 3 3HG2 THR 3 -18.966 -17.917 1.025 24 HG22 THR 3 1HG2 THR 3 -18.458 -17.547 -0.640 25 HG23 THR 3 2HG2 THR 3 -19.383 -19.028 -0.269 26 H GLU 4 H GLU 4 -14.334 -17.890 2.413 27 HA GLU 4 HA GLU 4 -15.605 -16.261 4.373 28 HB2 GLU 4 1HB GLU 4 -13.495 -17.549 4.661 29 HB3 GLU 4 2HB GLU 4 -12.733 -16.556 3.447 30 HG2 GLU 4 1HG GLU 4 -13.258 -14.576 5.070 31 HG3 GLU 4 2HG GLU 4 -13.413 -15.836 6.278 32 H GLN 5 H GLN 5 -16.380 -14.209 4.012 33 HA GLN 5 HA GLN 5 -15.683 -12.533 1.728 34 HB2 GLN 5 1HB GLN 5 -17.159 -12.065 4.358 35 HB3 GLN 5 2HB GLN 5 -16.757 -10.754 3.248 36 HG2 GLN 5 1HG GLN 5 -17.926 -12.064 1.414 37 HG3 GLN 5 2HG GLN 5 -18.554 -13.117 2.695 38 HE21 GLN 5 1HE2 GLN 5 -20.635 -12.489 3.377 39 HE22 GLN 5 2HE2 GLN 5 -21.141 -10.834 3.502 40 HA PRO 6 HA PRO 6 -11.944 -11.138 3.495 41 HB2 PRO 6 1HB PRO 6 -11.520 -8.673 2.488 42 HB3 PRO 6 2HB PRO 6 -11.629 -10.076 1.395 43 HG2 PRO 6 1HG PRO 6 -13.862 -8.154 2.098 44 HG3 PRO 6 2HG PRO 6 -13.304 -8.660 0.468 45 HD2 PRO 6 1HD PRO 6 -15.401 -9.879 1.718 46 HD3 PRO 6 2HD PRO 6 -14.265 -10.809 0.704 47 H ILE 7 H ILE 7 -10.897 -9.659 4.952 48 HA ILE 7 HA ILE 7 -12.726 -9.126 7.115 49 HB ILE 7 HB ILE 7 -9.782 -8.437 6.908 50 HG12 ILE 7 1HG1 ILE 7 -9.457 -10.363 8.495 51 HG13 ILE 7 2HG1 ILE 7 -11.095 -10.898 8.144 52 HG21 ILE 7 1HG2 ILE 7 -11.564 -8.702 9.354 53 HG22 ILE 7 2HG2 ILE 7 -9.874 -8.154 9.303 54 HG23 ILE 7 3HG2 ILE 7 -11.143 -7.159 8.577 55 HD11 ILE 7 3HD1 ILE 7 -9.192 -12.088 6.959 56 HD12 ILE 7 1HD1 ILE 7 -10.473 -11.514 5.897 57 HD13 ILE 7 2HD1 ILE 7 -8.935 -10.617 6.002 58 H ASP 8 H ASP 8 -14.150 -7.644 6.370 59 HA ASP 8 HA ASP 8 -15.107 -5.737 5.835 60 HB2 ASP 8 1HB ASP 8 -13.940 -5.473 8.258 61 HB3 ASP 8 2HB ASP 8 -13.097 -4.190 7.442 62 H LEU 9 H LEU 9 -12.887 -6.438 3.988 63 HA LEU 9 HA LEU 9 -11.602 -4.012 3.202 64 HB2 LEU 9 1HB LEU 9 -11.058 -6.629 2.955 65 HB3 LEU 9 2HB LEU 9 -11.811 -6.397 1.382 66 HG LEU 9 HG LEU 9 -9.345 -4.981 2.523 67 HD11 LEU 9 1HD1 LEU 9 -8.181 -6.207 0.800 68 HD12 LEU 9 2HD1 LEU 9 -9.179 -7.353 1.722 69 HD13 LEU 9 3HD1 LEU 9 -9.728 -6.793 0.122 70 HD21 LEU 9 3HD2 LEU 9 -9.088 -4.199 0.065 71 HD22 LEU 9 1HD2 LEU 9 -10.814 -4.525 -0.090 72 HD23 LEU 9 2HD2 LEU 9 -10.237 -3.321 1.065 73 H VAL 10 H VAL 10 -12.059 -2.699 1.528 74 HA VAL 10 HA VAL 10 -14.455 -3.138 -0.136 75 HB VAL 10 HB VAL 10 -14.948 -0.603 0.465 76 HG11 VAL 10 1HG1 VAL 10 -15.886 -2.921 2.192 77 HG12 VAL 10 2HG1 VAL 10 -16.729 -1.383 1.932 78 HG13 VAL 10 3HG1 VAL 10 -16.533 -2.510 0.587 79 HG21 VAL 10 3HG2 VAL 10 -14.040 -1.677 3.164 80 HG22 VAL 10 1HG2 VAL 10 -13.126 -0.504 2.220 81 HG23 VAL 10 2HG2 VAL 10 -14.740 -0.095 2.819 82 HA PRO 11 HA PRO 11 -11.554 -1.154 -2.932 83 HB2 PRO 11 1HB PRO 11 -13.282 -0.920 -5.124 84 HB3 PRO 11 2HB PRO 11 -12.302 -2.326 -4.680 85 HG2 PRO 11 1HG PRO 11 -15.196 -2.095 -4.488 86 HG3 PRO 11 2HG PRO 11 -14.158 -3.528 -4.429 87 HD2 PRO 11 1HD PRO 11 -15.354 -2.094 -2.195 88 HD3 PRO 11 2HD PRO 11 -14.381 -3.587 -2.181 89 H THR 12 H THR 12 -11.197 0.974 -3.773 90 HA THR 12 HA THR 12 -13.303 2.954 -3.619 91 HB THR 12 HB THR 12 -12.413 2.916 -1.252 92 HG1 THR 12 1HG THR 12 -13.314 4.770 -2.226 93 HG21 THR 12 3HG2 THR 12 -9.779 3.970 -2.426 94 HG22 THR 12 1HG2 THR 12 -10.250 3.907 -0.730 95 HG23 THR 12 2HG2 THR 12 -10.032 2.408 -1.617 96 H GLN 13 H GLN 13 -11.373 5.145 -3.878 97 HA GLN 13 HA GLN 13 -9.619 4.408 -6.058 98 HB2 GLN 13 1HB GLN 13 -12.071 5.935 -6.514 99 HB3 GLN 13 2HB GLN 13 -10.701 6.861 -6.968 100 HG2 GLN 13 1HG GLN 13 -9.975 4.836 -8.386 101 HG3 GLN 13 2HG GLN 13 -11.537 4.110 -7.992 102 HE21 GLN 13 1HE2 GLN 13 -10.281 7.386 -9.106 103 HE22 GLN 13 2HE2 GLN 13 -11.557 7.635 -10.226 104 HA PRO 14 HA PRO 14 -7.102 7.462 -4.025 105 HB2 PRO 14 1HB PRO 14 -5.663 8.560 -6.026 106 HB3 PRO 14 2HB PRO 14 -5.480 6.828 -5.598 107 HG2 PRO 14 1HG PRO 14 -7.112 8.055 -7.834 108 HG3 PRO 14 2HG PRO 14 -6.005 6.654 -7.914 109 HD2 PRO 14 1HD PRO 14 -8.756 6.478 -7.601 110 HD3 PRO 14 2HD PRO 14 -7.656 5.240 -6.934 111 H LEU 15 H LEU 15 -6.521 9.704 -3.881 112 HA LEU 15 HA LEU 15 -8.892 11.323 -3.954 113 HB2 LEU 15 1HB LEU 15 -5.966 11.798 -3.306 114 HB3 LEU 15 2HB LEU 15 -7.168 13.079 -3.265 115 HG LEU 15 HG LEU 15 -6.403 11.636 -1.117 116 HD11 LEU 15 1HD1 LEU 15 -8.427 12.479 0.001 117 HD12 LEU 15 2HD1 LEU 15 -7.756 13.675 -1.098 118 HD13 LEU 15 3HD1 LEU 15 -9.195 12.763 -1.595 119 HD21 LEU 15 3HD2 LEU 15 -8.111 10.122 -0.321 120 HD22 LEU 15 1HD2 LEU 15 -8.897 10.120 -1.922 121 HD23 LEU 15 2HD2 LEU 15 -7.253 9.476 -1.707 122 HA PRO 16 HA PRO 16 -7.964 13.149 -7.991 123 HB2 PRO 16 1HB PRO 16 -9.679 15.233 -7.945 124 HB3 PRO 16 2HB PRO 16 -10.276 13.552 -8.003 125 HG2 PRO 16 1HG PRO 16 -10.118 15.396 -5.615 126 HG3 PRO 16 2HG PRO 16 -11.430 14.263 -6.080 127 HD2 PRO 16 1HD PRO 16 -9.347 13.772 -4.252 128 HD3 PRO 16 2HD PRO 16 -10.332 12.505 -5.013 129 H ASN 17 H ASN 17 -6.767 15.059 -8.709 130 HA ASN 17 HA ASN 17 -5.211 16.592 -8.658 131 HB2 ASN 17 1HB ASN 17 -5.492 18.655 -7.369 132 HB3 ASN 17 2HB ASN 17 -6.893 18.163 -8.281 133 HD21 ASN 17 1HD2 ASN 17 -8.765 17.560 -7.198 134 HD22 ASN 17 2HD2 ASN 17 -9.067 17.929 -5.507 135 H ALA 18 H ALA 18 -5.350 14.648 -5.962 136 HA ALA 18 HA ALA 18 -3.132 15.437 -4.462 137 HB1 ALA 18 1HB ALA 18 -4.699 13.662 -3.823 138 HB2 ALA 18 2HB ALA 18 -4.023 12.606 -5.087 139 HB3 ALA 18 3HB ALA 18 -3.022 13.119 -3.714 140 H SER 19 H SER 19 -0.940 14.575 -4.332 141 HA SER 19 HA SER 19 0.336 13.691 -6.789 142 HB2 SER 19 1HB SER 19 1.827 15.735 -6.784 143 HB3 SER 19 2HB SER 19 0.174 16.016 -7.342 144 HG SER 19 HG SER 19 0.461 17.647 -5.973 145 H PHE 20 H PHE 20 2.420 12.920 -6.289 146 HA PHE 20 HA PHE 20 2.684 11.939 -3.660 147 HB2 PHE 20 1HB PHE 20 3.735 10.788 -5.598 148 HB3 PHE 20 2HB PHE 20 4.753 12.188 -5.883 149 HD1 PHE 20 2HD PHE 20 3.948 10.102 -2.821 150 HD2 PHE 20 1HD PHE 20 6.986 11.805 -5.371 151 HE1 PHE 20 2HE PHE 20 5.713 9.465 -1.176 152 HE2 PHE 20 1HE PHE 20 8.704 11.161 -3.763 153 HZ PHE 20 HZ PHE 20 8.058 10.013 -1.604 154 H ASP 21 H ASP 21 4.345 12.427 -2.049 155 HA ASP 21 HA ASP 21 4.904 15.322 -1.913 156 HB2 ASP 21 1HB ASP 21 2.663 14.485 -0.834 157 HB3 ASP 21 2HB ASP 21 3.693 13.741 0.386 158 H ASN 22 H ASN 22 6.208 15.353 0.625 159 HA ASN 22 HA ASN 22 8.573 13.732 -0.028 160 HB2 ASN 22 1HB ASN 22 8.022 16.043 1.783 161 HB3 ASN 22 2HB ASN 22 9.207 14.879 2.372 162 HD21 ASN 22 1HD2 ASN 22 10.874 14.048 0.537 163 HD22 ASN 22 2HD2 ASN 22 11.633 15.386 -0.214 164 H PHE 23 H PHE 23 5.886 12.422 1.125 165 HA PHE 23 HA PHE 23 6.769 11.445 3.705 166 HB2 PHE 23 1HB PHE 23 4.869 9.998 3.727 167 HB3 PHE 23 2HB PHE 23 4.351 11.534 3.126 168 HD1 PHE 23 1HD PHE 23 5.278 8.051 2.066 169 HD2 PHE 23 2HD PHE 23 3.186 11.679 1.059 170 HE1 PHE 23 1HE PHE 23 4.208 6.905 0.157 171 HE2 PHE 23 2HE PHE 23 2.152 10.546 -0.862 172 HZ PHE 23 HZ PHE 23 2.667 8.142 -1.338 173 H LYS 24 H LYS 24 7.613 9.442 4.242 174 HA LYS 24 HA LYS 24 8.778 7.808 2.039 175 HB2 LYS 24 1HB LYS 24 10.469 8.767 3.448 176 HB3 LYS 24 2HB LYS 24 9.659 8.269 4.927 177 HG2 LYS 24 1HG LYS 24 10.098 5.909 4.375 178 HG3 LYS 24 2HG LYS 24 10.698 6.395 2.778 179 HD2 LYS 24 1HD LYS 24 12.509 7.718 4.178 180 HD3 LYS 24 2HD LYS 24 12.006 6.636 5.494 181 HE2 LYS 24 1HE LYS 24 12.330 4.653 4.078 182 HE3 LYS 24 2HE LYS 24 12.674 5.673 2.682 183 HZ1 LYS 24 3HZ LYS 24 14.719 4.857 3.561 184 HZ2 LYS 24 1HZ LYS 24 14.669 6.461 3.888 185 HZ3 LYS 24 2HZ LYS 24 14.395 5.374 5.081 186 H LEU 25 H LEU 25 8.587 5.558 2.311 187 HA LEU 25 HA LEU 25 6.328 4.658 4.067 188 HB2 LEU 25 1HB LEU 25 7.390 3.164 1.638 189 HB3 LEU 25 2HB LEU 25 5.926 2.895 2.566 190 HG LEU 25 HG LEU 25 5.318 5.374 1.765 191 HD11 LEU 25 1HD1 LEU 25 6.072 5.647 -0.659 192 HD12 LEU 25 2HD1 LEU 25 7.342 5.918 0.521 193 HD13 LEU 25 3HD1 LEU 25 7.285 4.385 -0.359 194 HD21 LEU 25 3HD2 LEU 25 3.999 3.378 1.285 195 HD22 LEU 25 1HD2 LEU 25 4.087 4.438 -0.110 196 HD23 LEU 25 2HD2 LEU 25 5.067 2.956 -0.059 197 H THR 26 H THR 26 6.769 2.973 5.539 198 HA THR 26 HA THR 26 9.390 1.628 5.364 199 HB THR 26 HB THR 26 9.767 1.848 7.709 200 HG1 THR 26 1HG THR 26 8.499 2.922 9.056 201 HG21 THR 26 3HG2 THR 26 10.261 4.213 7.939 202 HG22 THR 26 1HG2 THR 26 10.587 3.728 6.269 203 HG23 THR 26 2HG2 THR 26 9.109 4.635 6.659 204 H CYS 27 H CYS 27 9.374 -0.473 6.729 205 HA CYS 27 HA CYS 27 6.894 -1.667 7.458 206 HB2 CYS 27 1HB CYS 27 6.620 -1.758 4.994 207 HB3 CYS 27 2HB CYS 27 8.170 -2.437 4.794 208 HG CYS 27 HG CYS 27 6.075 -4.120 4.368 209 H SER 28 H SER 28 7.392 -3.943 8.078 210 HA SER 28 HA SER 28 9.881 -4.210 9.492 211 HB2 SER 28 1HB SER 28 7.653 -5.323 9.967 212 HB3 SER 28 2HB SER 28 8.067 -6.451 8.664 213 HG SER 28 HG SER 28 8.975 -6.141 11.239 214 H ASN 29 H ASN 29 8.802 -5.327 6.249 215 HA ASN 29 HA ASN 29 11.473 -6.511 5.754 216 HB2 ASN 29 1HB ASN 29 9.314 -7.439 4.739 217 HB3 ASN 29 2HB ASN 29 9.318 -6.057 3.701 218 HD21 ASN 29 1HD2 ASN 29 9.512 -8.544 2.550 219 HD22 ASN 29 2HD2 ASN 29 11.181 -9.023 2.206 220 H THR 30 H THR 30 13.126 -5.181 5.257 221 HA THR 30 HA THR 30 12.923 -2.435 4.608 222 HB THR 30 HB THR 30 15.387 -3.029 3.834 223 HG1 THR 30 1HG THR 30 16.101 -4.954 4.880 224 HG21 THR 30 3HG2 THR 30 16.085 -2.915 6.194 225 HG22 THR 30 1HG2 THR 30 14.746 -1.800 5.889 226 HG23 THR 30 2HG2 THR 30 14.430 -3.335 6.700 227 H LYS 31 H LYS 31 13.530 -5.355 2.404 228 HA LYS 31 HA LYS 31 13.689 -3.855 0.084 229 HB2 LYS 31 1HB LYS 31 14.250 -6.202 0.111 230 HB3 LYS 31 2HB LYS 31 12.624 -6.650 0.634 231 HG2 LYS 31 1HG LYS 31 12.959 -7.138 -1.728 232 HG3 LYS 31 2HG LYS 31 11.680 -5.930 -1.571 233 HD2 LYS 31 1HD LYS 31 12.926 -4.245 -2.530 234 HD3 LYS 31 2HD LYS 31 14.483 -4.878 -1.963 235 HE2 LYS 31 1HE LYS 31 14.495 -6.616 -3.522 236 HE3 LYS 31 2HE LYS 31 12.779 -6.385 -3.942 237 HZ1 LYS 31 3HZ LYS 31 13.251 -4.382 -5.017 238 HZ2 LYS 31 1HZ LYS 31 14.787 -4.297 -4.465 239 HZ3 LYS 31 2HZ LYS 31 14.371 -5.432 -5.604 240 H PHE 32 H PHE 32 10.749 -5.007 1.785 241 HA PHE 32 HA PHE 32 8.922 -4.466 -0.332 242 HB2 PHE 32 1HB PHE 32 8.520 -5.732 1.796 243 HB3 PHE 32 2HB PHE 32 8.473 -4.166 2.648 244 HD1 PHE 32 2HD PHE 32 6.919 -6.332 0.112 245 HD2 PHE 32 1HD PHE 32 6.355 -2.836 2.560 246 HE1 PHE 32 2HE PHE 32 4.519 -6.394 -0.390 247 HE2 PHE 32 1HE PHE 32 3.919 -2.918 2.087 248 HZ PHE 32 HZ PHE 32 2.972 -4.729 0.700 249 H ALA 33 H ALA 33 9.734 -2.517 2.544 250 HA ALA 33 HA ALA 33 8.432 -0.124 1.770 251 HB1 ALA 33 1HB ALA 33 11.024 -0.469 3.347 252 HB2 ALA 33 2HB ALA 33 10.031 1.001 3.285 253 HB3 ALA 33 3HB ALA 33 9.374 -0.487 4.006 254 H ASP 34 H ASP 34 11.625 -1.291 0.883 255 HA ASP 34 HA ASP 34 12.566 1.187 -0.338 256 HB2 ASP 34 1HB ASP 34 14.137 -0.415 0.544 257 HB3 ASP 34 2HB ASP 34 13.533 -1.676 -0.529 258 H ASP 35 H ASP 35 11.269 -1.872 -1.695 259 HA ASP 35 HA ASP 35 11.335 -1.173 -4.434 260 HB2 ASP 35 1HB ASP 35 9.785 -3.152 -2.773 261 HB3 ASP 35 2HB ASP 35 9.147 -2.731 -4.355 262 H LEU 36 H LEU 36 8.984 -0.526 -1.882 263 HA LEU 36 HA LEU 36 6.954 0.610 -3.554 264 HB2 LEU 36 1HB LEU 36 7.620 0.478 -0.630 265 HB3 LEU 36 2HB LEU 36 6.575 1.787 -1.111 266 HG LEU 36 HG LEU 36 4.824 0.420 -1.764 267 HD11 LEU 36 1HD1 LEU 36 6.005 -1.273 -3.171 268 HD12 LEU 36 2HD1 LEU 36 6.584 -2.054 -1.682 269 HD13 LEU 36 3HD1 LEU 36 4.854 -1.977 -2.046 270 HD21 LEU 36 3HD2 LEU 36 6.285 -0.850 0.604 271 HD22 LEU 36 1HD2 LEU 36 5.120 0.494 0.647 272 HD23 LEU 36 2HD2 LEU 36 4.603 -1.143 0.222 273 H ASN 37 H ASN 37 9.641 2.029 -1.534 274 HA ASN 37 HA ASN 37 9.019 4.782 -2.126 275 HB2 ASN 37 1HB ASN 37 11.459 3.284 -1.078 276 HB3 ASN 37 2HB ASN 37 11.527 4.960 -1.465 277 HD21 ASN 37 1HD2 ASN 37 10.549 2.707 0.888 278 HD22 ASN 37 2HD2 ASN 37 10.030 3.831 2.110 279 H GLN 38 H GLN 38 10.517 2.238 -3.921 280 HA GLN 38 HA GLN 38 12.079 3.780 -5.803 281 HB2 GLN 38 1HB GLN 38 11.459 1.002 -5.159 282 HB3 GLN 38 2HB GLN 38 11.337 1.257 -6.869 283 HG2 GLN 38 1HG GLN 38 13.740 2.286 -5.303 284 HG3 GLN 38 2HG GLN 38 13.599 0.579 -5.676 285 HE21 GLN 38 1HE2 GLN 38 12.676 0.388 -8.176 286 HE22 GLN 38 2HE2 GLN 38 13.525 1.396 -9.346 287 H MET 39 H MET 39 8.596 2.936 -5.459 288 HA MET 39 HA MET 39 8.060 3.427 -8.273 289 HB2 MET 39 1HB MET 39 6.384 2.738 -5.830 290 HB3 MET 39 2HB MET 39 5.732 2.949 -7.452 291 HG2 MET 39 1HG MET 39 6.996 1.096 -8.282 292 HG3 MET 39 2HG MET 39 7.996 1.023 -6.854 293 HE1 MET 39 3HE MET 39 4.133 1.221 -5.745 294 HE2 MET 39 1HE MET 39 4.286 1.319 -7.500 295 HE3 MET 39 2HE MET 39 3.577 -0.136 -6.785 296 H THR 40 H THR 40 7.675 5.105 -5.084 297 HA THR 40 HA THR 40 6.185 7.302 -6.193 298 HB THR 40 HB THR 40 6.910 8.384 -4.056 299 HG1 THR 40 1HG THR 40 8.025 7.194 -2.582 300 HG21 THR 40 3HG2 THR 40 5.769 5.593 -3.670 301 HG22 THR 40 1HG2 THR 40 5.545 6.998 -2.601 302 HG23 THR 40 2HG2 THR 40 4.824 7.009 -4.219 303 H GLY 41 H GLY 41 9.650 6.558 -5.878 304 HA2 GLY 41 1HA GLY 41 11.523 7.795 -6.565 305 HA3 GLY 41 2HA GLY 41 10.460 9.022 -7.285 306 H PHE 42 H PHE 42 10.554 7.562 -4.009 307 HA PHE 42 HA PHE 42 10.050 9.992 -2.591 308 HB2 PHE 42 1HB PHE 42 9.492 8.104 -1.371 309 HB3 PHE 42 2HB PHE 42 10.884 7.198 -1.940 310 HD1 PHE 42 2HD PHE 42 10.116 10.207 0.288 311 HD2 PHE 42 1HD PHE 42 12.626 6.758 -0.490 312 HE1 PHE 42 2HE PHE 42 11.581 10.856 2.096 313 HE2 PHE 42 1HE PHE 42 13.936 7.265 1.496 314 HZ PHE 42 HZ PHE 42 13.500 9.400 2.774 315 H THR 43 H THR 43 11.454 11.513 -1.473 316 HA THR 43 HA THR 43 14.301 11.038 -1.710 317 HB THR 43 HB THR 43 12.983 13.688 -2.433 318 HG1 THR 43 1HG THR 43 13.570 11.516 -4.132 319 HG21 THR 43 3HG2 THR 43 15.135 14.190 -3.450 320 HG22 THR 43 1HG2 THR 43 15.382 13.668 -1.774 321 HG23 THR 43 2HG2 THR 43 15.718 12.542 -3.100 322 H LYS 44 H LYS 44 15.348 11.770 0.065 323 HA LYS 44 HA LYS 44 13.821 12.684 2.389 324 HB2 LYS 44 1HB LYS 44 16.591 11.755 1.753 325 HB3 LYS 44 2HB LYS 44 16.495 12.956 3.004 326 HG2 LYS 44 1HG LYS 44 14.514 11.193 3.832 327 HG3 LYS 44 2HG LYS 44 15.667 10.115 3.024 328 HD2 LYS 44 1HD LYS 44 17.473 11.340 4.423 329 HD3 LYS 44 2HD LYS 44 16.165 12.004 5.367 330 HE2 LYS 44 1HE LYS 44 16.357 9.013 4.884 331 HE3 LYS 44 2HE LYS 44 17.378 9.769 6.100 332 HZ1 LYS 44 3HZ LYS 44 14.426 10.009 6.188 333 HZ2 LYS 44 1HZ LYS 44 15.268 8.854 6.932 334 HZ3 LYS 44 2HZ LYS 44 15.523 10.425 7.339 335 HA PRO 45 HA PRO 45 14.963 13.751 4.257 336 HB2 PRO 45 1HB PRO 45 13.936 15.755 5.692 337 HB3 PRO 45 2HB PRO 45 15.692 15.647 5.326 338 HG2 PRO 45 1HG PRO 45 13.602 17.382 3.986 339 HG3 PRO 45 2HG PRO 45 15.302 17.777 4.400 340 HD2 PRO 45 1HD PRO 45 14.478 17.017 1.878 341 HD3 PRO 45 2HD PRO 45 16.116 16.705 2.505 342 H ALA 46 H ALA 46 13.202 12.525 4.938 343 HA ALA 46 HA ALA 46 10.767 12.985 3.465 344 HB1 ALA 46 1HB ALA 46 10.046 10.927 4.150 345 HB2 ALA 46 2HB ALA 46 11.797 10.671 4.286 346 HB3 ALA 46 3HB ALA 46 10.833 11.020 5.736 347 H SER 47 H SER 47 9.023 14.147 4.214 348 HA SER 47 HA SER 47 9.158 15.547 6.764 349 HB2 SER 47 1HB SER 47 7.082 15.211 4.588 350 HB3 SER 47 2HB SER 47 6.664 15.994 6.116 351 HG SER 47 HG SER 47 8.991 16.834 4.704 352 H ARG 48 H ARG 48 8.075 12.318 5.929 353 HA ARG 48 HA ARG 48 7.419 11.740 8.647 354 HB2 ARG 48 1HB ARG 48 5.063 10.864 7.991 355 HB3 ARG 48 2HB ARG 48 5.248 12.565 8.375 356 HG2 ARG 48 1HG ARG 48 5.008 13.271 6.149 357 HG3 ARG 48 2HG ARG 48 5.378 11.669 5.487 358 HD2 ARG 48 1HD ARG 48 3.322 10.789 5.974 359 HD3 ARG 48 2HD ARG 48 2.983 11.971 7.267 360 HE ARG 48 HE ARG 48 3.020 13.515 5.016 361 HH11 ARG 48 2HH2 ARG 48 1.021 10.870 6.312 362 HH12 ARG 48 1HH2 ARG 48 -0.196 11.017 5.093 363 HH21 ARG 48 2HH1 ARG 48 1.012 14.105 3.912 364 HH22 ARG 48 1HH1 ARG 48 -0.238 12.906 3.812 365 H GLU 49 H GLU 49 6.955 9.445 8.917 366 HA GLU 49 HA GLU 49 7.657 7.731 6.589 367 HB2 GLU 49 1HB GLU 49 8.661 7.616 9.446 368 HB3 GLU 49 2HB GLU 49 8.484 6.134 8.499 369 HG2 GLU 49 1HG GLU 49 9.942 6.960 6.764 370 HG3 GLU 49 2HG GLU 49 10.054 8.542 7.539 371 H LEU 50 H LEU 50 5.814 6.670 6.052 372 HA LEU 50 HA LEU 50 3.776 6.064 8.124 373 HB2 LEU 50 1HB LEU 50 3.764 5.514 5.121 374 HB3 LEU 50 2HB LEU 50 2.442 5.291 6.243 375 HG LEU 50 HG LEU 50 1.808 7.193 5.359 376 HD11 LEU 50 1HD1 LEU 50 2.038 9.090 6.688 377 HD12 LEU 50 2HD1 LEU 50 2.182 7.724 7.778 378 HD13 LEU 50 3HD1 LEU 50 3.648 8.614 7.275 379 HD21 LEU 50 3HD2 LEU 50 3.027 8.925 4.344 380 HD22 LEU 50 1HD2 LEU 50 4.568 8.222 4.940 381 HD23 LEU 50 2HD2 LEU 50 3.566 7.363 3.741 382 H SER 51 H SER 51 3.561 4.099 8.904 383 HA SER 51 HA SER 51 5.545 2.052 7.970 384 HB2 SER 51 1HB SER 51 5.534 1.062 10.066 385 HB3 SER 51 2HB SER 51 5.561 2.810 10.362 386 HG SER 51 HG SER 51 3.086 1.571 10.216 387 H VAL 52 H VAL 52 4.887 0.331 6.840 388 HA VAL 52 HA VAL 52 2.113 -0.472 6.598 389 HB VAL 52 HB VAL 52 4.781 -1.764 5.812 390 HG11 VAL 52 1HG1 VAL 52 3.402 -3.195 4.285 391 HG12 VAL 52 2HG1 VAL 52 3.185 -3.606 5.974 392 HG13 VAL 52 3HG1 VAL 52 1.932 -2.662 5.123 393 HG21 VAL 52 3HG2 VAL 52 2.571 -0.367 4.241 394 HG22 VAL 52 1HG2 VAL 52 4.141 0.355 4.661 395 HG23 VAL 52 2HG2 VAL 52 4.102 -1.023 3.574 396 H THR 53 H THR 53 1.312 -2.485 7.370 397 HA THR 53 HA THR 53 2.700 -4.046 9.417 398 HB THR 53 HB THR 53 0.380 -4.000 10.546 399 HG1 THR 53 1HG THR 53 0.320 -1.515 9.208 400 HG21 THR 53 3HG2 THR 53 1.236 -2.358 12.183 401 HG22 THR 53 1HG2 THR 53 2.582 -3.311 11.551 402 HG23 THR 53 2HG2 THR 53 2.307 -1.659 10.971 403 H PHE 54 H PHE 54 2.156 -6.267 9.066 404 HA PHE 54 HA PHE 54 0.460 -6.768 6.671 405 HB2 PHE 54 1HB PHE 54 2.579 -8.444 8.104 406 HB3 PHE 54 2HB PHE 54 1.645 -8.952 6.713 407 HD1 PHE 54 1HD PHE 54 1.908 -6.085 5.350 408 HD2 PHE 54 2HD PHE 54 4.717 -8.827 7.031 409 HE1 PHE 54 1HE PHE 54 3.560 -5.462 3.589 410 HE2 PHE 54 2HE PHE 54 6.313 -8.335 5.259 411 HZ PHE 54 HZ PHE 54 5.771 -6.609 3.502 412 H PHE 55 H PHE 55 -1.552 -7.744 7.023 413 HA PHE 55 HA PHE 55 -2.436 -7.981 9.588 414 HB2 PHE 55 1HB PHE 55 -3.513 -8.342 7.055 415 HB3 PHE 55 2HB PHE 55 -3.806 -9.858 7.827 416 HD1 PHE 55 1HD PHE 55 -5.337 -9.991 9.825 417 HD2 PHE 55 2HD PHE 55 -4.538 -6.274 7.803 418 HE1 PHE 55 1HE PHE 55 -7.335 -8.988 10.884 419 HE2 PHE 55 2HE PHE 55 -6.570 -5.274 8.841 420 HZ PHE 55 HZ PHE 55 -7.972 -6.635 10.381 421 HA PRO 56 HA PRO 56 -3.477 -9.018 11.092 422 HB2 PRO 56 1HB PRO 56 -3.446 -10.254 13.509 423 HB3 PRO 56 2HB PRO 56 -4.348 -10.941 12.127 424 HG2 PRO 56 1HG PRO 56 -1.582 -11.710 13.119 425 HG3 PRO 56 2HG PRO 56 -2.939 -12.779 12.666 426 HD2 PRO 56 1HD PRO 56 -0.828 -12.052 10.978 427 HD3 PRO 56 2HD PRO 56 -2.429 -12.571 10.394 428 H ASP 57 H ASP 57 -2.039 -7.274 10.879 429 HA ASP 57 HA ASP 57 -1.348 -6.294 13.396 430 HB2 ASP 57 1HB ASP 57 0.952 -7.092 12.454 431 HB3 ASP 57 2HB ASP 57 0.724 -5.920 11.197 432 H LEU 58 H LEU 58 -2.353 -4.349 13.304 433 HA LEU 58 HA LEU 58 -2.559 -2.858 10.805 434 HB2 LEU 58 1HB LEU 58 -5.000 -2.469 11.321 435 HB3 LEU 58 2HB LEU 58 -4.576 -4.015 10.627 436 HG LEU 58 HG LEU 58 -4.910 -3.754 13.632 437 HD11 LEU 58 1HD1 LEU 58 -6.891 -2.819 12.592 438 HD12 LEU 58 2HD1 LEU 58 -7.096 -4.314 11.612 439 HD13 LEU 58 3HD1 LEU 58 -7.238 -4.353 13.390 440 HD21 LEU 58 3HD2 LEU 58 -5.172 -6.076 11.648 441 HD22 LEU 58 1HD2 LEU 58 -4.074 -5.966 13.029 442 HD23 LEU 58 2HD2 LEU 58 -5.782 -6.162 13.315 443 H ASN 59 H ASN 59 -1.014 -2.765 13.355 444 HA ASN 59 HA ASN 59 -1.954 -0.466 14.912 445 HB2 ASN 59 1HB ASN 59 0.757 -1.869 14.662 446 HB3 ASN 59 2HB ASN 59 0.482 -0.493 15.689 447 HD21 ASN 59 1HD2 ASN 59 -0.370 -3.753 15.135 448 HD22 ASN 59 2HD2 ASN 59 -0.634 -4.181 16.842 449 H GLY 60 H GLY 60 -0.276 -0.991 11.964 450 HA2 GLY 60 1HA GLY 60 1.431 1.319 11.957 451 HA3 GLY 60 2HA GLY 60 1.032 0.311 10.556 452 H ASP 61 H ASP 61 1.318 2.737 9.812 453 HA ASP 61 HA ASP 61 -1.098 4.386 10.068 454 HB2 ASP 61 1HB ASP 61 1.396 5.169 9.732 455 HB3 ASP 61 2HB ASP 61 1.124 4.799 8.042 456 H VAL 62 H VAL 62 0.296 1.902 8.064 457 HA VAL 62 HA VAL 62 -1.997 1.866 6.231 458 HB VAL 62 HB VAL 62 0.942 1.541 5.452 459 HG11 VAL 62 1HG1 VAL 62 0.037 1.487 3.091 460 HG12 VAL 62 2HG1 VAL 62 -0.361 0.073 4.055 461 HG13 VAL 62 3HG1 VAL 62 -1.592 1.311 3.765 462 HG21 VAL 62 3HG2 VAL 62 -0.981 3.819 4.835 463 HG22 VAL 62 1HG2 VAL 62 0.519 3.907 5.760 464 HG23 VAL 62 2HG2 VAL 62 0.582 3.578 4.029 465 H VAL 63 H VAL 63 -2.418 -0.333 5.503 466 HA VAL 63 HA VAL 63 -1.184 -2.456 7.176 467 HB VAL 63 HB VAL 63 -4.105 -2.160 6.371 468 HG11 VAL 63 1HG1 VAL 63 -2.714 -4.041 8.308 469 HG12 VAL 63 2HG1 VAL 63 -4.476 -3.892 8.114 470 HG13 VAL 63 3HG1 VAL 63 -3.492 -4.472 6.768 471 HG21 VAL 63 3HG2 VAL 63 -4.546 -1.665 8.802 472 HG22 VAL 63 1HG2 VAL 63 -2.793 -1.460 9.033 473 HG23 VAL 63 2HG2 VAL 63 -3.699 -0.369 7.968 474 H ALA 64 H ALA 64 -1.118 -4.542 6.027 475 HA ALA 64 HA ALA 64 -1.707 -4.451 3.087 476 HB1 ALA 64 1HB ALA 64 0.009 -5.963 2.651 477 HB2 ALA 64 2HB ALA 64 0.764 -4.803 3.773 478 HB3 ALA 64 3HB ALA 64 0.170 -6.401 4.343 479 H ILE 65 H ILE 65 -2.618 -6.228 2.177 480 HA ILE 65 HA ILE 65 -3.822 -8.202 3.970 481 HB ILE 65 HB ILE 65 -5.096 -6.804 1.631 482 HG12 ILE 65 1HG1 ILE 65 -5.035 -5.451 3.723 483 HG13 ILE 65 2HG1 ILE 65 -6.664 -5.893 3.250 484 HG21 ILE 65 1HG2 ILE 65 -7.125 -8.089 2.282 485 HG22 ILE 65 2HG2 ILE 65 -5.851 -9.116 1.637 486 HG23 ILE 65 3HG2 ILE 65 -6.143 -9.084 3.380 487 HD11 ILE 65 3HD1 ILE 65 -6.775 -7.540 5.016 488 HD12 ILE 65 1HD1 ILE 65 -5.071 -7.329 5.440 489 HD13 ILE 65 2HD1 ILE 65 -6.208 -6.010 5.706 490 H ASP 66 H ASP 66 -4.075 -10.283 2.786 491 HA ASP 66 HA ASP 66 -1.902 -10.872 0.958 492 HB2 ASP 66 1HB ASP 66 -3.116 -13.197 1.059 493 HB3 ASP 66 2HB ASP 66 -2.079 -12.603 2.330 494 H TYR 67 H TYR 67 -2.084 -11.588 -1.099 495 HA TYR 67 HA TYR 67 -3.885 -10.091 -2.729 496 HB2 TYR 67 1HB TYR 67 -1.704 -10.400 -3.553 497 HB3 TYR 67 2HB TYR 67 -1.711 -12.098 -3.386 498 HD1 TYR 67 1HD TYR 67 -3.219 -13.445 -5.015 499 HD2 TYR 67 2HD TYR 67 -2.147 -9.323 -5.574 500 HE1 TYR 67 1HE TYR 67 -3.568 -13.688 -7.476 501 HE2 TYR 67 2HE TYR 67 -2.494 -9.548 -8.025 502 HH TYR 67 HH TYR 67 -3.542 -10.951 -9.715 503 H ARG 68 H ARG 68 -4.536 -13.247 -1.250 504 HA ARG 68 HA ARG 68 -6.430 -14.270 -3.032 505 HB2 ARG 68 1HB ARG 68 -7.487 -15.183 -1.014 506 HB3 ARG 68 2HB ARG 68 -5.762 -15.474 -1.035 507 HG2 ARG 68 1HG ARG 68 -5.352 -13.785 0.637 508 HG3 ARG 68 2HG ARG 68 -6.996 -13.155 0.514 509 HD2 ARG 68 1HD ARG 68 -7.795 -15.442 1.238 510 HD3 ARG 68 2HD ARG 68 -6.136 -15.785 1.725 511 HE ARG 68 HE ARG 68 -6.695 -13.322 2.855 512 HH11 ARG 68 2HH2 ARG 68 -7.577 -16.595 3.824 513 HH12 ARG 68 1HH2 ARG 68 -9.043 -16.115 4.659 514 HH21 ARG 68 2HH1 ARG 68 -8.500 -12.735 4.310 515 HH22 ARG 68 1HH1 ARG 68 -9.347 -13.966 5.180 516 H HIS 69 H HIS 69 -6.591 -11.301 -1.100 517 HA HIS 69 HA HIS 69 -9.518 -11.159 -1.572 518 HB2 HIS 69 1HB HIS 69 -7.610 -9.520 0.098 519 HB3 HIS 69 2HB HIS 69 -9.302 -9.105 -0.158 520 HD1 HIS 69 1HD HIS 69 -9.733 -12.655 0.200 521 HD2 HIS 69 2HD HIS 69 -8.758 -9.431 2.754 522 HE1 HIS 69 1HE HIS 69 -10.396 -13.337 2.510 523 H TYR 70 H TYR 70 -6.693 -10.263 -3.307 524 HA TYR 70 HA TYR 70 -7.920 -7.879 -4.481 525 HB2 TYR 70 1HB TYR 70 -5.457 -8.068 -4.416 526 HB3 TYR 70 2HB TYR 70 -5.529 -9.494 -5.421 527 HD1 TYR 70 2HD TYR 70 -8.014 -7.000 -6.489 528 HD2 TYR 70 1HD TYR 70 -3.863 -8.097 -6.732 529 HE1 TYR 70 2HE TYR 70 -7.776 -5.643 -8.525 530 HE2 TYR 70 1HE TYR 70 -3.642 -6.845 -8.847 531 HH TYR 70 HH TYR 70 -5.015 -5.918 -10.675 532 H SER 71 H SER 71 -9.931 -8.855 -4.948 533 HA SER 71 HA SER 71 -10.012 -10.878 -7.081 534 HB2 SER 71 1HB SER 71 -11.600 -10.107 -4.773 535 HB3 SER 71 2HB SER 71 -12.636 -10.201 -6.178 536 HG SER 71 HG SER 71 -11.820 -12.230 -4.818 537 H ALA 72 H ALA 72 -9.068 -8.504 -8.014 538 HA ALA 72 HA ALA 72 -9.227 -6.928 -9.580 539 HB1 ALA 72 1HB ALA 72 -11.473 -8.598 -10.703 540 HB2 ALA 72 2HB ALA 72 -10.403 -7.465 -11.549 541 HB3 ALA 72 3HB ALA 72 -9.736 -8.950 -10.864 542 H SER 73 H SER 73 -12.431 -7.324 -7.978 543 HA SER 73 HA SER 73 -13.619 -4.916 -8.631 544 HB2 SER 73 1HB SER 73 -13.287 -6.043 -5.811 545 HB3 SER 73 2HB SER 73 -14.596 -4.978 -6.385 546 HG SER 73 HG SER 73 -14.979 -6.778 -7.958 547 H PHE 74 H PHE 74 -10.815 -5.467 -6.630 548 HA PHE 74 HA PHE 74 -10.614 -2.742 -5.640 549 HB2 PHE 74 1HB PHE 74 -8.753 -5.066 -5.140 550 HB3 PHE 74 2HB PHE 74 -9.052 -3.669 -4.140 551 HD1 PHE 74 2HD PHE 74 -10.392 -6.902 -5.230 552 HD2 PHE 74 1HD PHE 74 -10.953 -3.625 -2.515 553 HE1 PHE 74 2HE PHE 74 -12.218 -8.168 -4.045 554 HE2 PHE 74 1HE PHE 74 -12.628 -5.000 -1.213 555 HZ PHE 74 HZ PHE 74 -13.308 -7.185 -2.059 556 H LYS 75 H LYS 75 -9.944 -3.481 -8.730 557 HA LYS 75 HA LYS 75 -7.209 -3.471 -8.907 558 HB2 LYS 75 1HB LYS 75 -7.603 -3.666 -11.102 559 HB3 LYS 75 2HB LYS 75 -9.263 -3.822 -10.661 560 HG2 LYS 75 1HG LYS 75 -9.636 -1.421 -11.057 561 HG3 LYS 75 2HG LYS 75 -7.972 -1.256 -11.626 562 HD2 LYS 75 1HD LYS 75 -8.436 -2.846 -13.471 563 HD3 LYS 75 2HD LYS 75 -10.115 -2.995 -12.894 564 HE2 LYS 75 1HE LYS 75 -10.358 -0.501 -13.122 565 HE3 LYS 75 2HE LYS 75 -8.732 -0.423 -13.825 566 HZ1 LYS 75 3HZ LYS 75 -10.979 -1.977 -14.989 567 HZ2 LYS 75 1HZ LYS 75 -10.547 -0.459 -15.486 568 HZ3 LYS 75 2HZ LYS 75 -9.512 -1.711 -15.674 569 H LYS 76 H LYS 76 -9.392 -0.735 -8.576 570 HA LYS 76 HA LYS 76 -7.312 1.236 -9.213 571 HB2 LYS 76 1HB LYS 76 -10.179 1.566 -8.407 572 HB3 LYS 76 2HB LYS 76 -9.069 2.865 -8.870 573 HG2 LYS 76 1HG LYS 76 -8.753 1.526 -11.089 574 HG3 LYS 76 2HG LYS 76 -10.186 0.637 -10.578 575 HD2 LYS 76 1HD LYS 76 -11.399 2.823 -10.315 576 HD3 LYS 76 2HD LYS 76 -10.019 3.638 -11.066 577 HE2 LYS 76 1HE LYS 76 -10.232 2.243 -13.052 578 HE3 LYS 76 2HE LYS 76 -11.529 1.296 -12.289 579 HZ1 LYS 76 3HZ LYS 76 -11.727 4.160 -13.022 580 HZ2 LYS 76 1HZ LYS 76 -12.502 2.935 -13.776 581 HZ3 LYS 76 2HZ LYS 76 -12.899 3.290 -12.250 582 H GLY 77 H GLY 77 -7.657 -0.631 -6.560 583 HA2 GLY 77 1HA GLY 77 -6.394 -0.293 -4.607 584 HA3 GLY 77 2HA GLY 77 -6.682 1.439 -4.691 585 H ALA 78 H ALA 78 -7.128 0.308 -2.303 586 HA ALA 78 HA ALA 78 -10.029 0.100 -1.876 587 HB1 ALA 78 1HB ALA 78 -8.028 -2.150 -1.391 588 HB2 ALA 78 2HB ALA 78 -9.752 -2.169 -0.964 589 HB3 ALA 78 3HB ALA 78 -9.267 -2.114 -2.657 590 H LYS 79 H LYS 79 -10.241 -0.726 0.564 591 HA LYS 79 HA LYS 79 -8.298 0.392 2.434 592 HB2 LYS 79 1HB LYS 79 -10.218 1.850 3.391 593 HB3 LYS 79 2HB LYS 79 -9.312 2.459 2.017 594 HG2 LYS 79 1HG LYS 79 -11.064 2.198 0.506 595 HG3 LYS 79 2HG LYS 79 -11.804 0.913 1.384 596 HD2 LYS 79 1HD LYS 79 -12.269 2.705 3.203 597 HD3 LYS 79 2HD LYS 79 -11.981 3.869 1.910 598 HE2 LYS 79 1HE LYS 79 -13.864 3.020 0.657 599 HE3 LYS 79 2HE LYS 79 -13.973 1.571 1.670 600 HZ1 LYS 79 3HZ LYS 79 -14.475 4.318 2.673 601 HZ2 LYS 79 1HZ LYS 79 -15.647 3.231 2.296 602 HZ3 LYS 79 2HZ LYS 79 -14.642 2.925 3.523 603 H LEU 80 H LEU 80 -9.141 0.046 4.716 604 HA LEU 80 HA LEU 80 -11.194 -2.088 4.920 605 HB2 LEU 80 1HB LEU 80 -8.523 -2.533 5.343 606 HB3 LEU 80 2HB LEU 80 -8.979 -1.976 6.940 607 HG LEU 80 HG LEU 80 -10.624 -4.142 5.653 608 HD11 LEU 80 1HD1 LEU 80 -8.892 -5.817 6.529 609 HD12 LEU 80 2HD1 LEU 80 -8.395 -4.888 5.110 610 HD13 LEU 80 3HD1 LEU 80 -7.783 -4.449 6.722 611 HD21 LEU 80 3HD2 LEU 80 -11.181 -3.436 7.999 612 HD22 LEU 80 1HD2 LEU 80 -10.697 -5.112 7.890 613 HD23 LEU 80 2HD2 LEU 80 -9.548 -3.897 8.505 614 H LEU 81 H LEU 81 -11.458 -1.916 7.585 615 HA LEU 81 HA LEU 81 -13.399 -0.488 8.296 616 HB2 LEU 81 1HB LEU 81 -11.716 -1.881 9.707 617 HB3 LEU 81 2HB LEU 81 -11.144 -0.346 10.298 618 HG LEU 81 HG LEU 81 -14.048 -1.234 10.361 619 HD11 LEU 81 1HD1 LEU 81 -13.640 -1.677 12.771 620 HD12 LEU 81 2HD1 LEU 81 -12.701 -2.729 11.711 621 HD13 LEU 81 3HD1 LEU 81 -11.906 -1.365 12.517 622 HD21 LEU 81 3HD2 LEU 81 -12.656 1.058 11.804 623 HD22 LEU 81 1HD2 LEU 81 -13.925 1.187 10.565 624 HD23 LEU 81 2HD2 LEU 81 -14.309 0.493 12.128 625 H HIS 82 H HIS 82 -10.306 1.063 8.941 626 HA HIS 82 HA HIS 82 -11.418 3.595 7.848 627 HB2 HIS 82 1HB HIS 82 -10.841 4.963 9.719 628 HB3 HIS 82 2HB HIS 82 -11.872 3.652 10.291 629 HD1 HIS 82 1HD HIS 82 -8.558 5.232 10.964 630 HD2 HIS 82 2HD HIS 82 -10.466 1.506 11.482 631 HE1 HIS 82 1HE HIS 82 -7.292 4.062 12.821 632 H LYS 83 H LYS 83 -9.023 1.437 7.605 633 HA LYS 83 HA LYS 83 -6.869 3.473 7.216 634 HB2 LYS 83 1HB LYS 83 -6.706 0.618 8.288 635 HB3 LYS 83 2HB LYS 83 -5.336 1.588 7.852 636 HG2 LYS 83 1HG LYS 83 -6.170 3.320 9.498 637 HG3 LYS 83 2HG LYS 83 -7.470 2.252 9.933 638 HD2 LYS 83 1HD LYS 83 -4.634 1.239 10.252 639 HD3 LYS 83 2HD LYS 83 -5.287 2.440 11.360 640 HE2 LYS 83 1HE LYS 83 -7.394 0.797 11.434 641 HE3 LYS 83 2HE LYS 83 -6.221 -0.412 10.907 642 HZ1 LYS 83 3HZ LYS 83 -6.505 -0.249 13.364 643 HZ2 LYS 83 1HZ LYS 83 -4.956 0.024 12.892 644 HZ3 LYS 83 2HZ LYS 83 -5.930 1.284 13.319 645 HA PRO 84 HA PRO 84 -6.656 1.928 3.095 646 HB2 PRO 84 1HB PRO 84 -4.055 2.392 2.384 647 HB3 PRO 84 2HB PRO 84 -5.262 3.691 2.643 648 HG2 PRO 84 1HG PRO 84 -3.018 2.839 4.421 649 HG3 PRO 84 2HG PRO 84 -3.727 4.455 4.220 650 HD2 PRO 84 1HD PRO 84 -4.261 2.520 6.242 651 HD3 PRO 84 2HD PRO 84 -5.145 4.030 6.018 652 H ILE 85 H ILE 85 -5.500 0.225 1.684 653 HA ILE 85 HA ILE 85 -4.099 -1.780 3.292 654 HB ILE 85 HB ILE 85 -5.391 -3.669 2.648 655 HG12 ILE 85 1HG1 ILE 85 -7.641 -2.973 1.306 656 HG13 ILE 85 2HG1 ILE 85 -6.590 -1.773 0.604 657 HG21 ILE 85 1HG2 ILE 85 -6.242 -2.569 4.515 658 HG22 ILE 85 2HG2 ILE 85 -7.298 -1.541 3.510 659 HG23 ILE 85 3HG2 ILE 85 -7.528 -3.302 3.553 660 HD11 ILE 85 3HD1 ILE 85 -5.081 -3.600 -0.203 661 HD12 ILE 85 1HD1 ILE 85 -6.081 -4.796 0.646 662 HD13 ILE 85 2HD1 ILE 85 -6.738 -3.896 -0.729 663 H VAL 86 H VAL 86 -2.799 -3.140 2.091 664 HA VAL 86 HA VAL 86 -2.470 -2.593 -0.798 665 HB VAL 86 HB VAL 86 -0.073 -2.648 -0.632 666 HG11 VAL 86 1HG1 VAL 86 -1.349 -0.502 -0.365 667 HG12 VAL 86 2HG1 VAL 86 -1.048 -0.596 1.382 668 HG13 VAL 86 3HG1 VAL 86 0.306 -0.477 0.245 669 HG21 VAL 86 3HG2 VAL 86 0.276 -4.086 1.322 670 HG22 VAL 86 1HG2 VAL 86 1.123 -2.566 1.558 671 HG23 VAL 86 2HG2 VAL 86 -0.379 -2.820 2.394 672 H TRP 87 H TRP 87 -0.557 -4.447 -1.364 673 HA TRP 87 HA TRP 87 -1.766 -7.020 -0.560 674 HB2 TRP 87 1HB TRP 87 -0.735 -6.316 -3.319 675 HB3 TRP 87 2HB TRP 87 -1.494 -7.812 -2.826 676 HD1 TRP 87 HD TRP 87 -2.298 -4.886 -4.710 677 HE1 TRP 87 1HE TRP 87 -4.868 -4.459 -4.890 678 HE3 TRP 87 3HE TRP 87 -3.953 -7.836 -0.845 679 HZ2 TRP 87 2HZ TRP 87 -7.200 -5.166 -3.507 680 HZ3 TRP 87 3HZ TRP 87 -6.339 -7.889 -0.297 681 HH2 TRP 87 HH TRP 87 -8.006 -6.597 -1.640 682 H HIS 88 H HIS 88 -0.113 -8.479 0.111 683 HA HIS 88 HA HIS 88 2.678 -7.767 -0.424 684 HB2 HIS 88 1HB HIS 88 3.565 -7.945 1.625 685 HB3 HIS 88 2HB HIS 88 2.171 -6.882 1.895 686 HD1 HIS 88 1HD HIS 88 3.885 -9.659 3.438 687 HD2 HIS 88 2HD HIS 88 -0.134 -8.494 3.016 688 HE1 HIS 88 1HE HIS 88 2.618 -11.333 4.695 689 H ILE 89 H ILE 89 3.587 -9.424 -1.404 690 HA ILE 89 HA ILE 89 2.424 -12.160 -1.139 691 HB ILE 89 HB ILE 89 3.767 -10.582 -3.326 692 HG12 ILE 89 1HG1 ILE 89 1.331 -12.392 -3.288 693 HG13 ILE 89 2HG1 ILE 89 1.353 -10.636 -3.235 694 HG21 ILE 89 1HG2 ILE 89 5.141 -12.727 -3.186 695 HG22 ILE 89 2HG2 ILE 89 3.643 -13.618 -3.466 696 HG23 ILE 89 3HG2 ILE 89 4.285 -12.509 -4.689 697 HD11 ILE 89 3HD1 ILE 89 0.801 -11.291 -5.468 698 HD12 ILE 89 1HD1 ILE 89 2.452 -10.619 -5.506 699 HD13 ILE 89 2HD1 ILE 89 2.188 -12.372 -5.583 700 H ASN 90 H ASN 90 3.651 -13.116 0.575 701 HA ASN 90 HA ASN 90 5.416 -14.135 1.478 702 HB2 ASN 90 1HB ASN 90 6.932 -13.572 -1.108 703 HB3 ASN 90 2HB ASN 90 7.415 -14.622 0.196 704 HD21 ASN 90 1HD2 ASN 90 4.439 -14.117 -1.403 705 HD22 ASN 90 2HD2 ASN 90 4.047 -15.763 -1.928 706 H GLN 91 H GLN 91 4.858 -11.560 2.098 707 HA GLN 91 HA GLN 91 5.596 -9.684 3.144 708 HB2 GLN 91 1HB GLN 91 8.307 -10.997 3.426 709 HB3 GLN 91 2HB GLN 91 7.601 -9.780 4.435 710 HG2 GLN 91 1HG GLN 91 7.159 -12.742 4.381 711 HG3 GLN 91 2HG GLN 91 7.248 -11.637 5.752 712 HE21 GLN 91 1HE2 GLN 91 5.153 -13.486 3.897 713 HE22 GLN 91 2HE2 GLN 91 3.690 -13.005 4.743 714 H ALA 92 H ALA 92 6.117 -10.230 0.107 715 HA ALA 92 HA ALA 92 8.129 -8.097 -0.374 716 HB1 ALA 92 1HB ALA 92 8.944 -10.491 -0.703 717 HB2 ALA 92 2HB ALA 92 7.725 -10.646 -1.984 718 HB3 ALA 92 3HB ALA 92 9.023 -9.465 -2.152 719 H THR 93 H THR 93 7.949 -7.570 -2.890 720 HA THR 93 HA THR 93 5.143 -7.434 -3.746 721 HB THR 93 HB THR 93 5.613 -5.476 -2.460 722 HG1 THR 93 1HG THR 93 4.513 -4.397 -3.675 723 HG21 THR 93 3HG2 THR 93 8.054 -5.132 -2.657 724 HG22 THR 93 1HG2 THR 93 7.872 -4.799 -4.383 725 HG23 THR 93 2HG2 THR 93 7.185 -3.670 -3.211 726 H THR 94 H THR 94 4.961 -7.483 -6.054 727 HA THR 94 HA THR 94 7.496 -7.983 -7.514 728 HB THR 94 HB THR 94 6.748 -10.109 -8.271 729 HG1 THR 94 1HG THR 94 4.759 -10.998 -7.556 730 HG21 THR 94 3HG2 THR 94 6.680 -11.502 -6.317 731 HG22 THR 94 1HG2 THR 94 7.744 -10.137 -5.964 732 HG23 THR 94 2HG2 THR 94 6.090 -10.178 -5.301 733 H LYS 95 H LYS 95 6.712 -8.493 -10.003 734 HA LYS 95 HA LYS 95 5.448 -6.060 -10.830 735 HB2 LYS 95 1HB LYS 95 6.178 -8.549 -12.358 736 HB3 LYS 95 2HB LYS 95 5.394 -7.126 -13.085 737 HG2 LYS 95 1HG LYS 95 7.204 -5.669 -12.055 738 HG3 LYS 95 2HG LYS 95 8.053 -7.153 -11.582 739 HD2 LYS 95 1HD LYS 95 8.196 -7.820 -13.922 740 HD3 LYS 95 2HD LYS 95 7.245 -6.418 -14.419 741 HE2 LYS 95 1HE LYS 95 9.450 -5.732 -14.841 742 HE3 LYS 95 2HE LYS 95 8.980 -4.928 -13.343 743 HZ1 LYS 95 3HZ LYS 95 11.144 -5.797 -13.011 744 HZ2 LYS 95 1HZ LYS 95 10.199 -6.834 -12.193 745 HZ3 LYS 95 2HZ LYS 95 10.775 -7.250 -13.670 746 H THR 96 H THR 96 4.032 -9.003 -9.699 747 HA THR 96 HA THR 96 1.438 -8.596 -10.974 748 HB THR 96 HB THR 96 2.700 -10.554 -9.044 749 HG1 THR 96 1HG THR 96 1.471 -11.414 -11.310 750 HG21 THR 96 3HG2 THR 96 0.699 -11.976 -9.169 751 HG22 THR 96 1HG2 THR 96 0.406 -10.498 -8.254 752 HG23 THR 96 2HG2 THR 96 -0.214 -10.641 -9.908 753 H THR 97 H THR 97 3.023 -7.363 -8.020 754 HA THR 97 HA THR 97 0.356 -6.408 -7.119 755 HB THR 97 HB THR 97 1.498 -6.432 -4.816 756 HG1 THR 97 1HG THR 97 3.085 -7.852 -4.576 757 HG21 THR 97 3HG2 THR 97 0.798 -8.769 -4.437 758 HG22 THR 97 1HG2 THR 97 -0.370 -7.888 -5.411 759 HG23 THR 97 2HG2 THR 97 0.730 -9.038 -6.186 760 H PHE 98 H PHE 98 3.244 -5.456 -8.410 761 HA PHE 98 HA PHE 98 3.727 -2.881 -7.292 762 HB2 PHE 98 1HB PHE 98 5.378 -3.936 -8.587 763 HB3 PHE 98 2HB PHE 98 4.286 -4.285 -9.918 764 HD1 PHE 98 2HD PHE 98 3.493 -2.356 -11.405 765 HD2 PHE 98 1HD PHE 98 6.793 -2.053 -8.667 766 HE1 PHE 98 2HE PHE 98 4.379 -0.458 -12.710 767 HE2 PHE 98 1HE PHE 98 7.725 -0.193 -9.998 768 HZ PHE 98 HZ PHE 98 6.506 0.638 -12.024 769 H LYS 99 H LYS 99 1.951 -3.851 -10.272 770 HA LYS 99 HA LYS 99 0.990 -1.283 -10.859 771 HB2 LYS 99 1HB LYS 99 0.045 -4.046 -11.624 772 HB3 LYS 99 2HB LYS 99 -0.899 -2.616 -12.073 773 HG2 LYS 99 1HG LYS 99 1.340 -1.603 -12.940 774 HG3 LYS 99 2HG LYS 99 1.927 -3.266 -12.948 775 HD2 LYS 99 1HD LYS 99 -0.609 -2.324 -14.367 776 HD3 LYS 99 2HD LYS 99 1.004 -2.318 -15.096 777 HE2 LYS 99 1HE LYS 99 1.030 -4.864 -14.319 778 HE3 LYS 99 2HE LYS 99 -0.728 -4.665 -14.341 779 HZ1 LYS 99 3HZ LYS 99 1.147 -4.352 -16.620 780 HZ2 LYS 99 1HZ LYS 99 -0.056 -5.457 -16.414 781 HZ3 LYS 99 2HZ LYS 99 -0.434 -3.901 -16.702 782 HA PRO 100 HA PRO 100 -3.008 -1.821 -8.439 783 HB2 PRO 100 1HB PRO 100 -3.106 -3.552 -6.317 784 HB3 PRO 100 2HB PRO 100 -3.685 -3.969 -7.957 785 HG2 PRO 100 1HG PRO 100 -1.044 -4.613 -6.658 786 HG3 PRO 100 2HG PRO 100 -2.081 -5.711 -7.599 787 HD2 PRO 100 1HD PRO 100 0.079 -4.526 -8.726 788 HD3 PRO 100 2HD PRO 100 -1.437 -4.716 -9.653 789 H ASN 101 H ASN 101 0.247 -2.261 -6.937 790 HA ASN 101 HA ASN 101 -0.427 -0.917 -4.513 791 HB2 ASN 101 1HB ASN 101 2.055 -1.915 -5.803 792 HB3 ASN 101 2HB ASN 101 2.279 -0.390 -5.025 793 HD21 ASN 101 1HD2 ASN 101 1.739 -3.701 -4.521 794 HD22 ASN 101 2HD2 ASN 101 2.048 -3.654 -2.805 795 H THR 102 H THR 102 0.671 0.271 -7.731 796 HA THR 102 HA THR 102 1.408 2.809 -6.871 797 HB THR 102 HB THR 102 1.592 3.422 -9.003 798 HG1 THR 102 1HG THR 102 -0.231 3.640 -9.957 799 HG21 THR 102 3HG2 THR 102 2.166 1.662 -10.500 800 HG22 THR 102 1HG2 THR 102 2.617 1.142 -8.873 801 HG23 THR 102 2HG2 THR 102 1.150 0.506 -9.640 802 H TRP 103 H TRP 103 -1.851 1.566 -7.450 803 HA TRP 103 HA TRP 103 -3.247 4.052 -7.197 804 HB2 TRP 103 1HB TRP 103 -4.058 1.133 -6.913 805 HB3 TRP 103 2HB TRP 103 -5.165 2.457 -6.784 806 HD1 TRP 103 HD TRP 103 -3.156 0.556 -9.408 807 HE1 TRP 103 1HE TRP 103 -4.227 0.976 -11.707 808 HE3 TRP 103 3HE TRP 103 -6.220 4.366 -8.132 809 HZ2 TRP 103 2HZ TRP 103 -6.408 2.618 -12.770 810 HZ3 TRP 103 3HZ TRP 103 -7.831 5.361 -9.784 811 HH2 TRP 103 HH TRP 103 -7.967 4.422 -12.071 812 H CYS 104 H CYS 104 -1.874 1.874 -4.749 813 HA CYS 104 HA CYS 104 -3.328 3.174 -2.527 814 HB2 CYS 104 1HB CYS 104 -2.643 1.014 -1.984 815 HB3 CYS 104 2HB CYS 104 -1.009 1.232 -2.649 816 HG CYS 104 HG CYS 104 -2.226 3.140 -0.186 817 H LEU 105 H LEU 105 -0.172 3.504 -4.262 818 HA LEU 105 HA LEU 105 0.841 5.482 -2.441 819 HB2 LEU 105 1HB LEU 105 1.403 5.254 -5.435 820 HB3 LEU 105 2HB LEU 105 2.340 6.184 -4.278 821 HG LEU 105 HG LEU 105 2.055 3.151 -4.198 822 HD11 LEU 105 1HD1 LEU 105 3.321 3.729 -6.143 823 HD12 LEU 105 2HD1 LEU 105 4.255 4.947 -5.269 824 HD13 LEU 105 3HD1 LEU 105 4.460 3.235 -4.877 825 HD21 LEU 105 3HD2 LEU 105 3.735 5.077 -2.545 826 HD22 LEU 105 1HD2 LEU 105 2.456 3.997 -1.965 827 HD23 LEU 105 2HD2 LEU 105 3.958 3.316 -2.583 828 H ARG 106 H ARG 106 -1.210 5.698 -5.351 829 HA ARG 106 HA ARG 106 -1.531 8.522 -5.242 830 HB2 ARG 106 1HB ARG 106 -3.334 6.354 -6.425 831 HB3 ARG 106 2HB ARG 106 -3.536 8.096 -6.686 832 HG2 ARG 106 1HG ARG 106 -1.171 8.170 -7.449 833 HG3 ARG 106 2HG ARG 106 -1.155 6.421 -7.534 834 HD2 ARG 106 1HD ARG 106 -2.347 6.402 -9.489 835 HD3 ARG 106 2HD ARG 106 -3.478 7.640 -8.915 836 HE ARG 106 HE ARG 106 -1.019 8.904 -9.297 837 HH11 ARG 106 2HH2 ARG 106 -3.487 7.445 -11.351 838 HH12 ARG 106 1HH2 ARG 106 -3.192 8.520 -12.690 839 HH21 ARG 106 2HH1 ARG 106 -0.521 10.253 -11.138 840 HH22 ARG 106 1HH1 ARG 106 -1.632 10.274 -12.440 841 H CYS 107 H CYS 107 -2.938 6.240 -3.007 842 HA CYS 107 HA CYS 107 -5.024 8.170 -2.152 843 HB2 CYS 107 1HB CYS 107 -4.416 5.275 -1.444 844 HB3 CYS 107 2HB CYS 107 -5.138 6.330 -0.247 845 HG CYS 107 HG CYS 107 -7.021 4.984 -1.183 846 H LEU 108 H LEU 108 -1.765 6.955 -1.282 847 HA LEU 108 HA LEU 108 -1.632 8.424 1.208 848 HB2 LEU 108 1HB LEU 108 0.605 7.395 -0.568 849 HB3 LEU 108 2HB LEU 108 0.783 7.987 1.074 850 HG LEU 108 HG LEU 108 -0.701 5.468 0.243 851 HD11 LEU 108 1HD1 LEU 108 1.961 5.948 1.637 852 HD12 LEU 108 2HD1 LEU 108 1.178 4.372 1.439 853 HD13 LEU 108 3HD1 LEU 108 1.702 5.277 0.007 854 HD21 LEU 108 3HD2 LEU 108 -0.842 4.975 2.648 855 HD22 LEU 108 1HD2 LEU 108 -0.133 6.563 3.040 856 HD23 LEU 108 2HD2 LEU 108 -1.731 6.433 2.266 857 H TRP 109 H TRP 109 -1.312 9.448 -2.146 858 HA TRP 109 HA TRP 109 0.530 11.571 -1.846 859 HB2 TRP 109 1HB TRP 109 -1.735 10.964 -3.783 860 HB3 TRP 109 2HB TRP 109 -0.711 12.331 -3.941 861 HD1 TRP 109 HD TRP 109 1.450 9.591 -2.831 862 HE1 TRP 109 1HE TRP 109 2.598 8.400 -4.769 863 HE3 TRP 109 3HE TRP 109 -1.289 11.515 -6.686 864 HZ2 TRP 109 2HZ TRP 109 2.385 8.293 -7.631 865 HZ3 TRP 109 3HZ TRP 109 -0.733 10.955 -9.009 866 HH2 TRP 109 HH TRP 109 1.107 9.272 -9.504 867 H SER 110 H SER 110 -0.130 13.898 -2.171 868 HA SER 110 HA SER 110 -2.264 14.606 -0.215 869 HB2 SER 110 1HB SER 110 0.230 14.533 0.557 870 HB3 SER 110 2HB SER 110 0.447 15.949 -0.480 871 HG SER 110 HG SER 110 -0.405 17.088 1.011 872 H THR 111 H THR 111 -3.354 16.596 -0.761 873 HA THR 111 HA THR 111 -3.365 17.171 -3.610 874 HB THR 111 HB THR 111 -5.293 18.593 -2.964 875 HG1 THR 111 1HG THR 111 -4.214 18.882 -0.808 876 HG21 THR 111 3HG2 THR 111 -5.340 15.802 -1.709 877 HG22 THR 111 1HG2 THR 111 -6.714 16.697 -2.346 878 HG23 THR 111 2HG2 THR 111 -5.451 16.112 -3.444 879 H LYS 112 H LYS 112 -1.415 18.042 -4.168 880 HA LYS 112 HA LYS 112 -0.869 20.773 -3.162 881 HB2 LYS 112 1HB LYS 112 0.886 18.424 -3.161 882 HB3 LYS 112 2HB LYS 112 1.563 19.787 -4.068 883 HG2 LYS 112 1HG LYS 112 0.401 20.152 -1.303 884 HG3 LYS 112 2HG LYS 112 2.063 19.634 -1.533 885 HD2 LYS 112 1HD LYS 112 1.272 22.066 -3.130 886 HD3 LYS 112 2HD LYS 112 1.245 22.230 -1.385 887 HE2 LYS 112 1HE LYS 112 3.420 22.846 -1.809 888 HE3 LYS 112 2HE LYS 112 3.595 21.138 -1.397 889 HZ1 LYS 112 3HZ LYS 112 3.558 20.780 -3.919 890 HZ2 LYS 112 1HZ LYS 112 3.828 22.419 -4.036 891 HZ3 LYS 112 2HZ LYS 112 4.872 21.423 -3.257 892 HA PRO 113 HA PRO 113 -1.575 20.889 -7.645 893 HB2 PRO 113 1HB PRO 113 -2.816 23.262 -7.820 894 HB3 PRO 113 2HB PRO 113 -3.585 21.813 -7.115 895 HG2 PRO 113 1HG PRO 113 -2.269 24.131 -5.622 896 HG3 PRO 113 2HG PRO 113 -3.844 23.373 -5.286 897 HD2 PRO 113 1HD PRO 113 -1.444 22.704 -4.031 898 HD3 PRO 113 2HD PRO 113 -2.838 21.597 -4.185 899 H VAL 114 H VAL 114 0.511 20.927 -8.130 900 HA VAL 114 HA VAL 114 1.486 23.467 -9.128 901 HB VAL 114 HB VAL 114 2.553 23.627 -7.005 902 HG11 VAL 114 1HG1 VAL 114 4.225 22.069 -6.145 903 HG12 VAL 114 2HG1 VAL 114 2.628 21.299 -6.249 904 HG13 VAL 114 3HG1 VAL 114 3.893 20.930 -7.436 905 HG21 VAL 114 3HG2 VAL 114 4.629 22.837 -9.066 906 HG22 VAL 114 1HG2 VAL 114 3.788 24.402 -8.991 907 HG23 VAL 114 2HG2 VAL 114 4.861 23.911 -7.671 908 H ASP 115 H ASP 115 0.760 22.465 -10.956 909 HA ASP 115 HA ASP 115 1.856 19.846 -11.787 910 HB2 ASP 115 1HB ASP 115 -0.496 20.384 -12.202 911 HB3 ASP 115 2HB ASP 115 -0.021 21.782 -13.175 912 H THR 116 H THR 116 4.029 21.384 -11.362 913 HA THR 116 HA THR 116 5.363 21.501 -13.844 914 HB THR 116 HB THR 116 4.854 24.128 -12.350 915 HG1 THR 116 1HG THR 116 3.596 22.946 -14.230 916 HG21 THR 116 3HG2 THR 116 6.643 23.626 -14.768 917 HG22 THR 116 1HG2 THR 116 6.168 25.221 -14.147 918 HG23 THR 116 2HG2 THR 116 7.193 24.173 -13.167
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