NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18124 | 2dic | 10322 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 6.559 24.743 11.858 2 HA2 GLY 1 1HA GLY 1 8.804 24.276 12.317 3 HA3 GLY 1 2HA GLY 1 8.378 22.892 11.322 4 H SER 2 H SER 2 10.750 22.980 10.914 5 HA SER 2 HA SER 2 12.209 24.900 9.705 6 HB2 SER 2 1HB SER 2 12.911 22.510 10.206 7 HB3 SER 2 2HB SER 2 12.200 22.067 8.654 8 HG SER 2 HG SER 2 13.768 23.096 7.617 9 H SER 3 H SER 3 11.791 26.238 8.090 10 HA SER 3 HA SER 3 10.327 25.207 5.749 11 HB2 SER 3 1HB SER 3 8.873 26.743 6.890 12 HB3 SER 3 2HB SER 3 10.165 27.934 7.047 13 HG SER 3 HG SER 3 8.444 27.573 5.022 14 H GLY 4 H GLY 4 11.829 24.904 4.221 15 HA2 GLY 4 1HA GLY 4 13.761 27.094 3.758 16 HA3 GLY 4 2HA GLY 4 14.151 25.399 3.507 17 H SER 5 H SER 5 12.510 24.284 1.953 18 HA SER 5 HA SER 5 12.308 26.020 -0.411 19 HB2 SER 5 1HB SER 5 12.441 24.001 -1.752 20 HB3 SER 5 2HB SER 5 13.772 24.011 -0.596 21 HG SER 5 HG SER 5 11.356 22.535 -0.444 22 H SER 6 H SER 6 10.497 24.095 1.805 23 HA SER 6 HA SER 6 8.026 24.922 0.497 24 HB2 SER 6 1HB SER 6 7.057 22.693 0.538 25 HB3 SER 6 2HB SER 6 8.551 22.659 -0.399 26 HG SER 6 HG SER 6 7.916 21.208 1.730 27 H GLY 7 H GLY 7 6.507 25.524 1.925 28 HA2 GLY 7 1HA GLY 7 7.099 25.793 4.652 29 HA3 GLY 7 2HA GLY 7 5.505 25.987 3.936 30 H GLY 8 H GLY 8 4.681 23.634 3.148 31 HA2 GLY 8 1HA GLY 8 5.226 21.674 5.259 32 HA3 GLY 8 2HA GLY 8 3.579 22.263 5.089 33 H CYS 9 H CYS 9 3.878 19.635 4.872 34 HA CYS 9 HA CYS 9 4.160 18.952 2.048 35 HB2 CYS 9 1HB CYS 9 4.048 16.629 2.786 36 HB3 CYS 9 2HB CYS 9 5.248 17.508 3.724 37 HG CYS 9 HG CYS 9 3.740 17.700 6.016 38 H GLN 10 H GLN 10 2.515 17.524 1.057 39 HA GLN 10 HA GLN 10 -0.195 18.089 2.058 40 HB2 GLN 10 1HB GLN 10 0.725 18.194 -0.820 41 HB3 GLN 10 2HB GLN 10 -0.940 18.363 -0.282 42 HG2 GLN 10 1HG GLN 10 -0.348 20.551 -0.544 43 HG3 GLN 10 2HG GLN 10 0.032 20.309 1.161 44 HE21 GLN 10 1HE2 GLN 10 1.352 20.624 -2.054 45 HE22 GLN 10 2HE2 GLN 10 2.967 20.996 -1.568 46 HA PRO 11 HA PRO 11 0.197 13.552 1.573 47 HB2 PRO 11 1HB PRO 11 -1.507 12.983 3.609 48 HB3 PRO 11 2HB PRO 11 0.207 13.332 3.860 49 HG2 PRO 11 1HG PRO 11 -2.161 15.137 4.176 50 HG3 PRO 11 2HG PRO 11 -0.743 14.957 5.226 51 HD2 PRO 11 1HD PRO 11 -0.997 16.991 3.456 52 HD3 PRO 11 2HD PRO 11 0.577 16.288 3.884 53 H SER 12 H SER 12 -2.250 15.827 1.146 54 HA SER 12 HA SER 12 -4.375 13.946 0.581 55 HB2 SER 12 1HB SER 12 -5.768 15.808 0.284 56 HB3 SER 12 2HB SER 12 -4.621 16.357 1.506 57 HG SER 12 HG SER 12 -3.473 17.423 -0.134 58 H ARG 13 H ARG 13 -1.977 15.781 -1.178 59 HA ARG 13 HA ARG 13 -3.116 15.412 -3.763 60 HB2 ARG 13 1HB ARG 13 -0.201 15.898 -3.159 61 HB3 ARG 13 2HB ARG 13 -1.086 16.321 -4.619 62 HG2 ARG 13 1HG ARG 13 -1.800 17.508 -1.962 63 HG3 ARG 13 2HG ARG 13 -0.519 18.187 -2.969 64 HD2 ARG 13 1HD ARG 13 -3.284 17.676 -4.027 65 HD3 ARG 13 2HD ARG 13 -2.858 19.180 -3.212 66 HE ARG 13 HE ARG 13 -2.071 18.351 -5.858 67 HH11 ARG 13 1HH1 ARG 13 -1.372 20.433 -3.157 68 HH12 ARG 13 2HH1 ARG 13 -0.499 21.589 -4.106 69 HH21 ARG 13 1HH2 ARG 13 -0.924 19.867 -7.119 70 HH22 ARG 13 2HH2 ARG 13 -0.245 21.267 -6.360 71 H VAL 14 H VAL 14 -1.647 13.285 -1.638 72 HA VAL 14 HA VAL 14 -0.255 11.642 -3.532 73 HB VAL 14 HB VAL 14 -1.217 10.789 -0.805 74 HG11 VAL 14 1HG1 VAL 14 1.251 9.952 -2.311 75 HG12 VAL 14 2HG1 VAL 14 0.542 9.202 -0.879 76 HG13 VAL 14 3HG1 VAL 14 -0.288 9.100 -2.432 77 HG21 VAL 14 1HG2 VAL 14 1.304 12.290 -1.508 78 HG22 VAL 14 2HG2 VAL 14 -0.049 12.909 -0.561 79 HG23 VAL 14 3HG2 VAL 14 0.936 11.588 0.068 80 H GLN 15 H GLN 15 -0.865 9.599 -4.302 81 HA GLN 15 HA GLN 15 -3.660 8.810 -3.942 82 HB2 GLN 15 1HB GLN 15 -2.342 9.112 -6.646 83 HB3 GLN 15 2HB GLN 15 -3.961 8.492 -6.352 84 HG2 GLN 15 1HG GLN 15 -4.665 10.645 -5.501 85 HG3 GLN 15 2HG GLN 15 -3.031 11.278 -5.696 86 HE21 GLN 15 1HE2 GLN 15 -2.169 11.346 -7.884 87 HE22 GLN 15 2HE2 GLN 15 -3.251 11.627 -9.202 88 H ALA 16 H ALA 16 -3.999 6.641 -3.939 89 HA ALA 16 HA ALA 16 -1.714 4.912 -4.623 90 HB1 ALA 16 1HB ALA 16 -2.001 5.237 -2.152 91 HB2 ALA 16 2HB ALA 16 -3.560 4.423 -2.295 92 HB3 ALA 16 3HB ALA 16 -2.075 3.561 -2.699 93 H GLN 17 H GLN 17 -2.195 3.401 -6.069 94 HA GLN 17 HA GLN 17 -4.843 2.194 -6.110 95 HB2 GLN 17 1HB GLN 17 -5.164 2.581 -8.495 96 HB3 GLN 17 2HB GLN 17 -5.037 4.110 -7.635 97 HG2 GLN 17 1HG GLN 17 -2.667 4.252 -8.330 98 HG3 GLN 17 2HG GLN 17 -2.896 2.786 -9.283 99 HE21 GLN 17 1HE2 GLN 17 -2.055 5.183 -10.392 100 HE22 GLN 17 2HE2 GLN 17 -3.287 5.775 -11.448 101 H GLY 18 H GLY 18 -4.937 0.299 -7.575 102 HA2 GLY 18 1HA GLY 18 -3.408 -1.110 -9.039 103 HA3 GLY 18 2HA GLY 18 -2.289 -0.999 -7.688 104 HA PRO 19 HA PRO 19 -4.964 -4.823 -7.282 105 HB2 PRO 19 1HB PRO 19 -2.906 -6.590 -7.170 106 HB3 PRO 19 2HB PRO 19 -3.654 -6.081 -8.689 107 HG2 PRO 19 1HG PRO 19 -1.125 -5.120 -7.408 108 HG3 PRO 19 2HG PRO 19 -1.443 -5.498 -9.111 109 HD2 PRO 19 1HD PRO 19 -1.419 -2.962 -8.161 110 HD3 PRO 19 2HD PRO 19 -2.469 -3.471 -9.500 111 H GLY 20 H GLY 20 -1.846 -4.045 -5.747 112 HA2 GLY 20 1HA GLY 20 -2.138 -5.516 -3.407 113 HA3 GLY 20 2HA GLY 20 -1.211 -4.029 -3.541 114 H LEU 21 H LEU 21 -3.994 -2.875 -4.441 115 HA LEU 21 HA LEU 21 -4.903 -2.351 -1.689 116 HB2 LEU 21 1HB LEU 21 -5.337 -0.608 -4.106 117 HB3 LEU 21 2HB LEU 21 -5.658 -0.202 -2.421 118 HG LEU 21 HG LEU 21 -2.916 -0.653 -3.597 119 HD11 LEU 21 1HD1 LEU 21 -2.638 1.647 -3.743 120 HD12 LEU 21 2HD1 LEU 21 -4.023 1.982 -2.704 121 HD13 LEU 21 3HD1 LEU 21 -4.276 1.402 -4.350 122 HD21 LEU 21 1HD2 LEU 21 -2.086 0.189 -1.505 123 HD22 LEU 21 2HD2 LEU 21 -3.162 -1.171 -1.183 124 HD23 LEU 21 3HD2 LEU 21 -3.725 0.481 -0.923 125 H LYS 22 H LYS 22 -5.858 -3.306 -4.899 126 HA LYS 22 HA LYS 22 -8.686 -3.192 -4.344 127 HB2 LYS 22 1HB LYS 22 -7.017 -4.142 -6.650 128 HB3 LYS 22 2HB LYS 22 -8.724 -4.554 -6.566 129 HG2 LYS 22 1HG LYS 22 -9.272 -2.157 -6.445 130 HG3 LYS 22 2HG LYS 22 -7.556 -1.778 -6.609 131 HD2 LYS 22 1HD LYS 22 -8.463 -1.567 -8.776 132 HD3 LYS 22 2HD LYS 22 -7.616 -3.116 -8.767 133 HE2 LYS 22 1HE LYS 22 -9.781 -4.237 -8.307 134 HE3 LYS 22 2HE LYS 22 -10.585 -2.675 -8.459 135 HZ1 LYS 22 1HZ LYS 22 -8.954 -3.906 -10.611 136 HZ2 LYS 22 2HZ LYS 22 -9.938 -2.535 -10.731 137 HZ3 LYS 22 3HZ LYS 22 -10.635 -4.060 -10.501 138 H GLU 23 H GLU 23 -6.310 -5.793 -4.876 139 HA GLU 23 HA GLU 23 -7.639 -7.473 -2.955 140 HB2 GLU 23 1HB GLU 23 -9.070 -8.255 -4.562 141 HB3 GLU 23 2HB GLU 23 -7.957 -7.907 -5.877 142 HG2 GLU 23 1HG GLU 23 -6.685 -9.862 -5.427 143 HG3 GLU 23 2HG GLU 23 -7.552 -10.150 -3.919 144 H ALA 24 H ALA 24 -6.389 -9.262 -2.321 145 HA ALA 24 HA ALA 24 -3.774 -9.595 -3.588 146 HB1 ALA 24 1HB ALA 24 -2.714 -9.582 -1.291 147 HB2 ALA 24 2HB ALA 24 -3.222 -8.015 -1.924 148 HB3 ALA 24 3HB ALA 24 -4.204 -8.836 -0.711 149 H PHE 25 H PHE 25 -2.556 -11.437 -2.336 150 HA PHE 25 HA PHE 25 -4.445 -13.509 -1.480 151 HB2 PHE 25 1HB PHE 25 -2.617 -13.595 -3.833 152 HB3 PHE 25 2HB PHE 25 -2.816 -15.070 -2.893 153 HD1 PHE 25 2HD PHE 25 -4.558 -12.572 -4.957 154 HD2 PHE 25 1HD PHE 25 -4.822 -16.337 -2.989 155 HE1 PHE 25 2HE PHE 25 -6.651 -13.049 -6.159 156 HE2 PHE 25 1HE PHE 25 -6.915 -16.821 -4.189 157 HZ PHE 25 HZ PHE 25 -7.833 -15.176 -5.775 158 H THR 26 H THR 26 -3.220 -15.464 -0.613 159 HA THR 26 HA THR 26 -1.328 -14.513 1.338 160 HB THR 26 HB THR 26 -1.363 -16.852 2.181 161 HG1 THR 26 1HG THR 26 -1.757 -17.988 0.278 162 HG21 THR 26 1HG2 THR 26 -3.714 -15.111 1.901 163 HG22 THR 26 2HG2 THR 26 -2.998 -15.827 3.345 164 HG23 THR 26 3HG2 THR 26 -4.080 -16.781 2.331 165 H ASN 27 H ASN 27 0.823 -14.665 1.273 166 HA ASN 27 HA ASN 27 2.931 -15.118 0.551 167 HB2 ASN 27 1HB ASN 27 1.629 -17.705 -0.325 168 HB3 ASN 27 2HB ASN 27 3.367 -17.421 -0.302 169 HD21 ASN 27 1HD2 ASN 27 0.651 -16.843 1.913 170 HD22 ASN 27 2HD2 ASN 27 1.406 -17.558 3.293 171 H LYS 28 H LYS 28 1.176 -13.649 -1.172 172 HA LYS 28 HA LYS 28 2.379 -14.312 -3.778 173 HB2 LYS 28 1HB LYS 28 -0.424 -13.456 -3.122 174 HB3 LYS 28 2HB LYS 28 0.265 -13.124 -4.706 175 HG2 LYS 28 1HG LYS 28 0.836 -15.692 -4.625 176 HG3 LYS 28 2HG LYS 28 -0.501 -15.716 -3.473 177 HD2 LYS 28 1HD LYS 28 -2.054 -15.160 -5.055 178 HD3 LYS 28 2HD LYS 28 -0.895 -14.252 -6.030 179 HE2 LYS 28 1HE LYS 28 -0.718 -17.235 -5.758 180 HE3 LYS 28 2HE LYS 28 -1.780 -16.485 -6.948 181 HZ1 LYS 28 1HZ LYS 28 0.736 -15.275 -7.128 182 HZ2 LYS 28 2HZ LYS 28 -0.049 -16.234 -8.280 183 HZ3 LYS 28 3HZ LYS 28 0.971 -16.951 -7.136 184 HA PRO 29 HA PRO 29 4.062 -10.246 -3.696 185 HB2 PRO 29 1HB PRO 29 4.431 -9.872 -6.360 186 HB3 PRO 29 2HB PRO 29 5.447 -10.946 -5.391 187 HG2 PRO 29 1HG PRO 29 3.141 -11.621 -7.175 188 HG3 PRO 29 2HG PRO 29 4.703 -12.442 -7.008 189 HD2 PRO 29 1HD PRO 29 2.445 -13.353 -5.825 190 HD3 PRO 29 2HD PRO 29 4.053 -13.562 -5.102 191 H ASN 30 H ASN 30 2.642 -8.700 -3.091 192 HA ASN 30 HA ASN 30 0.673 -7.793 -5.088 193 HB2 ASN 30 1HB ASN 30 0.412 -7.182 -2.162 194 HB3 ASN 30 2HB ASN 30 -0.843 -7.279 -3.394 195 HD21 ASN 30 1HD2 ASN 30 1.063 -9.006 -1.111 196 HD22 ASN 30 2HD2 ASN 30 0.274 -10.533 -1.282 197 H VAL 31 H VAL 31 1.138 -5.908 -5.986 198 HA VAL 31 HA VAL 31 2.582 -3.897 -4.387 199 HB VAL 31 HB VAL 31 3.816 -3.176 -6.306 200 HG11 VAL 31 1HG1 VAL 31 4.565 -5.229 -5.013 201 HG12 VAL 31 2HG1 VAL 31 3.980 -6.177 -6.381 202 HG13 VAL 31 3HG1 VAL 31 5.275 -5.001 -6.611 203 HG21 VAL 31 1HG2 VAL 31 1.718 -4.446 -7.748 204 HG22 VAL 31 2HG2 VAL 31 3.002 -3.403 -8.360 205 HG23 VAL 31 3HG2 VAL 31 3.253 -5.146 -8.264 206 H PHE 32 H PHE 32 2.327 -1.654 -5.312 207 HA PHE 32 HA PHE 32 -0.094 -1.185 -6.831 208 HB2 PHE 32 1HB PHE 32 -0.900 0.433 -4.994 209 HB3 PHE 32 2HB PHE 32 -1.173 -1.289 -4.749 210 HD1 PHE 32 2HD PHE 32 0.482 -2.560 -3.295 211 HD2 PHE 32 1HD PHE 32 0.271 1.689 -3.424 212 HE1 PHE 32 2HE PHE 32 1.656 -2.440 -1.137 213 HE2 PHE 32 1HE PHE 32 1.446 1.816 -1.266 214 HZ PHE 32 HZ PHE 32 2.139 -0.250 -0.119 215 H THR 33 H THR 33 -0.287 0.971 -7.592 216 HA THR 33 HA THR 33 2.280 2.315 -7.809 217 HB THR 33 HB THR 33 -0.351 2.934 -9.166 218 HG1 THR 33 1HG THR 33 0.271 1.545 -10.652 219 HG21 THR 33 1HG2 THR 33 1.152 4.882 -9.006 220 HG22 THR 33 2HG2 THR 33 0.963 4.326 -10.669 221 HG23 THR 33 3HG2 THR 33 2.431 3.941 -9.771 222 H VAL 34 H VAL 34 2.837 4.087 -6.719 223 HA VAL 34 HA VAL 34 0.716 5.597 -5.334 224 HB VAL 34 HB VAL 34 3.547 5.095 -4.407 225 HG11 VAL 34 1HG1 VAL 34 3.360 6.947 -3.197 226 HG12 VAL 34 2HG1 VAL 34 1.717 7.211 -3.785 227 HG13 VAL 34 3HG1 VAL 34 1.993 6.218 -2.354 228 HG21 VAL 34 1HG2 VAL 34 0.925 3.880 -3.784 229 HG22 VAL 34 2HG2 VAL 34 2.540 3.173 -3.750 230 HG23 VAL 34 3HG2 VAL 34 1.996 4.192 -2.418 231 H VAL 35 H VAL 35 0.422 7.420 -6.453 232 HA VAL 35 HA VAL 35 2.679 8.751 -7.726 233 HB VAL 35 HB VAL 35 -0.266 9.425 -7.768 234 HG11 VAL 35 1HG1 VAL 35 2.115 10.837 -8.746 235 HG12 VAL 35 2HG1 VAL 35 0.816 10.661 -9.927 236 HG13 VAL 35 3HG1 VAL 35 0.503 11.448 -8.379 237 HG21 VAL 35 1HG2 VAL 35 -0.460 8.272 -9.735 238 HG22 VAL 35 2HG2 VAL 35 1.245 8.460 -10.143 239 HG23 VAL 35 3HG2 VAL 35 0.755 7.285 -8.923 240 H THR 36 H THR 36 3.837 10.160 -6.602 241 HA THR 36 HA THR 36 2.462 11.838 -4.605 242 HB THR 36 HB THR 36 4.545 11.928 -3.322 243 HG1 THR 36 1HG THR 36 6.253 11.517 -4.532 244 HG21 THR 36 1HG2 THR 36 2.924 9.594 -3.700 245 HG22 THR 36 2HG2 THR 36 3.686 10.189 -2.225 246 HG23 THR 36 3HG2 THR 36 4.572 9.110 -3.303 247 H ARG 37 H ARG 37 2.724 12.512 -7.352 248 HA ARG 37 HA ARG 37 4.925 14.376 -7.585 249 HB2 ARG 37 1HB ARG 37 2.760 13.385 -9.373 250 HB3 ARG 37 2HB ARG 37 3.463 14.956 -9.735 251 HG2 ARG 37 1HG ARG 37 5.071 12.436 -9.392 252 HG3 ARG 37 2HG ARG 37 4.502 13.047 -10.947 253 HD2 ARG 37 1HD ARG 37 6.626 13.929 -10.864 254 HD3 ARG 37 2HD ARG 37 5.675 15.250 -10.186 255 HE ARG 37 HE ARG 37 6.581 13.521 -8.136 256 HH11 ARG 37 1HH1 ARG 37 7.675 15.997 -10.324 257 HH12 ARG 37 2HH1 ARG 37 8.961 16.526 -9.290 258 HH21 ARG 37 1HH2 ARG 37 8.271 14.207 -6.766 259 HH22 ARG 37 2HH2 ARG 37 9.299 15.506 -7.267 260 H GLY 38 H GLY 38 4.525 15.865 -5.920 261 HA2 GLY 38 1HA GLY 38 3.688 18.252 -6.116 262 HA3 GLY 38 2HA GLY 38 2.101 17.514 -6.264 263 H ALA 39 H ALA 39 2.454 15.472 -4.320 264 HA ALA 39 HA ALA 39 1.444 16.495 -2.053 265 HB1 ALA 39 1HB ALA 39 3.019 14.104 -2.664 266 HB2 ALA 39 2HB ALA 39 3.055 14.585 -0.967 267 HB3 ALA 39 3HB ALA 39 1.513 14.274 -1.763 268 H GLY 40 H GLY 40 4.954 15.994 -2.505 269 HA2 GLY 40 1HA GLY 40 5.959 18.355 -1.691 270 HA3 GLY 40 2HA GLY 40 5.532 17.600 -0.163 271 H ILE 41 H ILE 41 7.768 17.650 0.404 272 HA ILE 41 HA ILE 41 9.255 15.402 -0.766 273 HB ILE 41 HB ILE 41 10.510 18.046 -0.023 274 HG12 ILE 41 1HG1 ILE 41 10.359 16.895 -2.797 275 HG13 ILE 41 2HG1 ILE 41 9.058 17.897 -2.165 276 HG21 ILE 41 1HG2 ILE 41 11.887 15.915 -1.581 277 HG22 ILE 41 2HG2 ILE 41 12.559 17.147 -0.514 278 HG23 ILE 41 3HG2 ILE 41 11.749 15.737 0.168 279 HD11 ILE 41 1HD1 ILE 41 11.934 18.760 -2.326 280 HD12 ILE 41 2HD1 ILE 41 10.706 19.128 -3.537 281 HD13 ILE 41 3HD1 ILE 41 10.542 19.754 -1.897 282 H GLY 42 H GLY 42 8.819 14.071 0.976 283 HA2 GLY 42 1HA GLY 42 10.338 14.702 3.395 284 HA3 GLY 42 2HA GLY 42 8.624 14.362 3.587 285 H GLY 43 H GLY 43 8.962 12.516 4.826 286 HA2 GLY 43 1HA GLY 43 10.233 10.266 3.393 287 HA3 GLY 43 2HA GLY 43 10.210 10.425 5.143 288 H LEU 44 H LEU 44 8.816 8.880 2.579 289 HA LEU 44 HA LEU 44 6.133 8.699 3.648 290 HB2 LEU 44 1HB LEU 44 6.500 8.694 1.236 291 HB3 LEU 44 2HB LEU 44 7.466 7.227 1.379 292 HG LEU 44 HG LEU 44 5.341 6.138 2.304 293 HD11 LEU 44 1HD1 LEU 44 4.259 8.464 2.549 294 HD12 LEU 44 2HD1 LEU 44 3.275 7.132 1.945 295 HD13 LEU 44 3HD1 LEU 44 3.931 8.324 0.822 296 HD21 LEU 44 1HD2 LEU 44 5.995 5.381 0.223 297 HD22 LEU 44 2HD2 LEU 44 5.824 6.968 -0.527 298 HD23 LEU 44 3HD2 LEU 44 4.389 6.028 -0.113 299 H GLY 45 H GLY 45 5.166 6.818 4.475 300 HA2 GLY 45 1HA GLY 45 6.973 4.605 5.164 301 HA3 GLY 45 2HA GLY 45 6.103 5.422 6.454 302 H ILE 46 H ILE 46 5.943 3.091 3.941 303 HA ILE 46 HA ILE 46 3.052 2.760 4.289 304 HB ILE 46 HB ILE 46 4.881 1.377 2.324 305 HG12 ILE 46 1HG1 ILE 46 2.901 3.543 1.661 306 HG13 ILE 46 2HG1 ILE 46 4.550 3.937 2.135 307 HG21 ILE 46 1HG2 ILE 46 2.296 1.354 1.347 308 HG22 ILE 46 2HG2 ILE 46 3.148 -0.002 2.085 309 HG23 ILE 46 3HG2 ILE 46 2.101 1.022 3.068 310 HD11 ILE 46 1HD1 ILE 46 4.180 3.857 -0.313 311 HD12 ILE 46 2HD1 ILE 46 5.435 2.756 0.257 312 HD13 ILE 46 3HD1 ILE 46 3.839 2.134 -0.163 313 H THR 47 H THR 47 2.250 1.207 5.536 314 HA THR 47 HA THR 47 3.888 -1.165 6.102 315 HB THR 47 HB THR 47 2.954 -1.070 8.481 316 HG1 THR 47 1HG THR 47 1.733 0.591 8.920 317 HG21 THR 47 1HG2 THR 47 5.059 0.767 7.395 318 HG22 THR 47 2HG2 THR 47 5.249 -0.724 8.318 319 HG23 THR 47 3HG2 THR 47 4.692 0.745 9.119 320 H VAL 48 H VAL 48 2.664 -3.014 6.844 321 HA VAL 48 HA VAL 48 -0.189 -2.889 6.113 322 HB VAL 48 HB VAL 48 1.823 -5.036 5.458 323 HG11 VAL 48 1HG1 VAL 48 -0.258 -6.165 4.431 324 HG12 VAL 48 2HG1 VAL 48 0.019 -6.323 6.167 325 HG13 VAL 48 3HG1 VAL 48 -1.168 -5.166 5.564 326 HG21 VAL 48 1HG2 VAL 48 1.131 -4.650 3.174 327 HG22 VAL 48 2HG2 VAL 48 -0.088 -3.492 3.706 328 HG23 VAL 48 3HG2 VAL 48 1.626 -3.124 3.905 329 H GLU 49 H GLU 49 -1.578 -3.666 7.574 330 HA GLU 49 HA GLU 49 -0.494 -5.279 9.790 331 HB2 GLU 49 1HB GLU 49 -2.331 -2.928 9.795 332 HB3 GLU 49 2HB GLU 49 -2.576 -4.178 11.007 333 HG2 GLU 49 1HG GLU 49 -0.306 -3.890 11.803 334 HG3 GLU 49 2HG GLU 49 0.000 -2.690 10.549 335 H GLY 50 H GLY 50 -1.586 -7.090 10.375 336 HA2 GLY 50 1HA GLY 50 -4.308 -7.595 9.771 337 HA3 GLY 50 2HA GLY 50 -3.281 -8.359 8.568 338 HA PRO 51 HA PRO 51 -3.848 -11.342 12.063 339 HB2 PRO 51 1HB PRO 51 -4.321 -13.483 10.462 340 HB3 PRO 51 2HB PRO 51 -5.594 -12.373 10.982 341 HG2 PRO 51 1HG PRO 51 -4.106 -12.465 8.387 342 HG3 PRO 51 2HG PRO 51 -5.838 -12.216 8.675 343 HD2 PRO 51 1HD PRO 51 -4.141 -10.174 8.145 344 HD3 PRO 51 2HD PRO 51 -5.559 -9.989 9.197 345 H SER 52 H SER 52 -1.606 -10.670 9.749 346 HA SER 52 HA SER 52 0.387 -12.316 10.969 347 HB2 SER 52 1HB SER 52 0.921 -13.782 9.212 348 HB3 SER 52 2HB SER 52 -0.841 -13.830 9.269 349 HG SER 52 HG SER 52 -0.478 -11.946 7.647 350 H GLU 53 H GLU 53 2.501 -11.710 10.399 351 HA GLU 53 HA GLU 53 2.732 -9.019 9.448 352 HB2 GLU 53 1HB GLU 53 4.145 -9.976 11.266 353 HB3 GLU 53 2HB GLU 53 4.932 -10.996 10.070 354 HG2 GLU 53 1HG GLU 53 5.800 -9.061 8.926 355 HG3 GLU 53 2HG GLU 53 4.922 -7.987 10.014 356 H SER 54 H SER 54 2.927 -8.399 7.410 357 HA SER 54 HA SER 54 3.614 -10.375 5.371 358 HB2 SER 54 1HB SER 54 2.623 -7.536 5.016 359 HB3 SER 54 2HB SER 54 2.740 -8.772 3.764 360 HG SER 54 HG SER 54 1.254 -9.386 6.039 361 H LYS 55 H LYS 55 5.352 -10.215 4.017 362 HA LYS 55 HA LYS 55 7.565 -8.627 4.949 363 HB2 LYS 55 1HB LYS 55 7.184 -10.744 2.870 364 HB3 LYS 55 2HB LYS 55 8.620 -9.731 2.804 365 HG2 LYS 55 1HG LYS 55 9.348 -10.472 4.935 366 HG3 LYS 55 2HG LYS 55 7.805 -11.267 5.256 367 HD2 LYS 55 1HD LYS 55 9.261 -13.008 4.660 368 HD3 LYS 55 2HD LYS 55 8.315 -12.698 3.202 369 HE2 LYS 55 1HE LYS 55 10.498 -12.866 2.410 370 HE3 LYS 55 2HE LYS 55 10.240 -11.127 2.541 371 HZ1 LYS 55 1HZ LYS 55 12.390 -11.805 3.435 372 HZ2 LYS 55 2HZ LYS 55 11.623 -12.806 4.562 373 HZ3 LYS 55 3HZ LYS 55 11.412 -11.130 4.639 374 H ILE 56 H ILE 56 7.272 -6.489 4.527 375 HA ILE 56 HA ILE 56 6.452 -5.631 1.869 376 HB ILE 56 HB ILE 56 6.956 -4.149 4.439 377 HG12 ILE 56 1HG1 ILE 56 4.493 -4.213 2.696 378 HG13 ILE 56 2HG1 ILE 56 4.780 -5.389 3.973 379 HG21 ILE 56 1HG2 ILE 56 6.118 -2.140 3.049 380 HG22 ILE 56 2HG2 ILE 56 7.812 -2.612 2.927 381 HG23 ILE 56 3HG2 ILE 56 6.676 -3.073 1.660 382 HD11 ILE 56 1HD1 ILE 56 4.350 -2.433 4.237 383 HD12 ILE 56 2HD1 ILE 56 3.373 -3.748 4.891 384 HD13 ILE 56 3HD1 ILE 56 4.978 -3.429 5.550 385 H ASN 57 H ASN 57 7.696 -4.292 0.527 386 HA ASN 57 HA ASN 57 10.480 -3.817 1.218 387 HB2 ASN 57 1HB ASN 57 9.592 -5.654 -0.994 388 HB3 ASN 57 2HB ASN 57 11.136 -4.811 -1.075 389 HD21 ASN 57 1HD2 ASN 57 9.617 -7.580 -0.106 390 HD22 ASN 57 2HD2 ASN 57 10.803 -8.178 0.999 391 H CYS 58 H CYS 58 10.692 -1.720 0.816 392 HA CYS 58 HA CYS 58 9.055 -0.296 -1.017 393 HB2 CYS 58 1HB CYS 58 10.516 1.625 -0.491 394 HB3 CYS 58 2HB CYS 58 9.963 0.797 0.960 395 HG CYS 58 HG CYS 58 12.331 -0.356 1.606 396 H ARG 59 H ARG 59 9.629 0.728 -2.963 397 HA ARG 59 HA ARG 59 12.129 -0.136 -4.224 398 HB2 ARG 59 1HB ARG 59 9.999 -1.570 -4.796 399 HB3 ARG 59 2HB ARG 59 9.610 -0.206 -5.836 400 HG2 ARG 59 1HG ARG 59 11.377 -0.598 -7.247 401 HG3 ARG 59 2HG ARG 59 12.318 -1.433 -6.009 402 HD2 ARG 59 1HD ARG 59 11.021 -3.393 -6.204 403 HD3 ARG 59 2HD ARG 59 9.765 -2.562 -7.121 404 HE ARG 59 HE ARG 59 12.086 -2.365 -8.611 405 HH11 ARG 59 1HH1 ARG 59 10.032 -4.897 -7.391 406 HH12 ARG 59 2HH1 ARG 59 10.384 -5.987 -8.691 407 HH21 ARG 59 1HH2 ARG 59 12.557 -3.791 -10.328 408 HH22 ARG 59 2HH2 ARG 59 11.821 -5.357 -10.360 409 H ASP 60 H ASP 60 13.151 1.578 -4.995 410 HA ASP 60 HA ASP 60 11.748 4.085 -5.353 411 HB2 ASP 60 1HB ASP 60 13.830 5.111 -5.341 412 HB3 ASP 60 2HB ASP 60 14.124 3.695 -4.335 413 H ASN 61 H ASN 61 11.181 5.003 -7.233 414 HA ASN 61 HA ASN 61 11.852 3.548 -9.700 415 HB2 ASN 61 1HB ASN 61 9.555 5.451 -9.184 416 HB3 ASN 61 2HB ASN 61 9.829 4.533 -10.662 417 HD21 ASN 61 1HD2 ASN 61 8.583 4.496 -7.481 418 HD22 ASN 61 2HD2 ASN 61 8.000 2.870 -7.485 419 H LYS 62 H LYS 62 12.862 4.549 -11.355 420 HA LYS 62 HA LYS 62 13.881 7.236 -10.857 421 HB2 LYS 62 1HB LYS 62 15.320 5.245 -11.597 422 HB3 LYS 62 2HB LYS 62 14.594 5.460 -13.184 423 HG2 LYS 62 1HG LYS 62 16.644 6.602 -13.252 424 HG3 LYS 62 2HG LYS 62 15.407 7.851 -13.090 425 HD2 LYS 62 1HD LYS 62 15.834 7.820 -10.618 426 HD3 LYS 62 2HD LYS 62 17.209 6.758 -10.934 427 HE2 LYS 62 1HE LYS 62 18.062 8.543 -12.505 428 HE3 LYS 62 2HE LYS 62 16.808 9.597 -11.852 429 HZ1 LYS 62 1HZ LYS 62 18.489 8.264 -9.896 430 HZ2 LYS 62 2HZ LYS 62 17.903 9.850 -9.919 431 HZ3 LYS 62 3HZ LYS 62 19.259 9.436 -10.843 432 H ASP 63 H ASP 63 11.172 7.209 -11.417 433 HA ASP 63 HA ASP 63 11.130 8.545 -14.036 434 HB2 ASP 63 1HB ASP 63 9.083 6.604 -12.953 435 HB3 ASP 63 2HB ASP 63 8.786 7.665 -14.327 436 H GLY 64 H GLY 64 9.137 8.015 -11.119 437 HA2 GLY 64 1HA GLY 64 9.093 10.455 -10.003 438 HA3 GLY 64 2HA GLY 64 8.007 10.676 -11.367 439 H SER 65 H SER 65 8.455 7.883 -9.220 440 HA SER 65 HA SER 65 5.989 8.350 -7.832 441 HB2 SER 65 1HB SER 65 4.951 6.176 -8.642 442 HB3 SER 65 2HB SER 65 4.953 7.502 -9.806 443 HG SER 65 HG SER 65 5.718 5.819 -10.942 444 H CYS 66 H CYS 66 5.396 6.136 -6.638 445 HA CYS 66 HA CYS 66 7.921 4.969 -5.670 446 HB2 CYS 66 1HB CYS 66 7.116 6.535 -4.002 447 HB3 CYS 66 2HB CYS 66 5.515 5.806 -4.040 448 HG CYS 66 HG CYS 66 7.688 3.462 -3.337 449 H SER 67 H SER 67 7.929 2.798 -5.206 450 HA SER 67 HA SER 67 5.452 1.325 -5.821 451 HB2 SER 67 1HB SER 67 8.242 0.927 -6.802 452 HB3 SER 67 2HB SER 67 7.247 -0.504 -6.529 453 HG SER 67 HG SER 67 6.358 1.706 -8.057 454 H ALA 68 H ALA 68 4.760 0.007 -4.272 455 HA ALA 68 HA ALA 68 6.690 -0.931 -2.253 456 HB1 ALA 68 1HB ALA 68 4.532 0.831 -1.835 457 HB2 ALA 68 2HB ALA 68 4.078 -0.713 -1.114 458 HB3 ALA 68 3HB ALA 68 5.575 0.082 -0.625 459 H GLU 69 H GLU 69 6.764 -3.068 -2.069 460 HA GLU 69 HA GLU 69 4.451 -4.633 -3.013 461 HB2 GLU 69 1HB GLU 69 6.005 -6.405 -3.620 462 HB3 GLU 69 2HB GLU 69 6.453 -4.904 -4.418 463 HG2 GLU 69 1HG GLU 69 8.307 -4.584 -3.032 464 HG3 GLU 69 2HG GLU 69 7.731 -5.753 -1.846 465 H TYR 70 H TYR 70 3.644 -6.234 -1.738 466 HA TYR 70 HA TYR 70 5.039 -6.889 0.752 467 HB2 TYR 70 1HB TYR 70 3.141 -6.468 2.129 468 HB3 TYR 70 2HB TYR 70 3.374 -5.025 1.148 469 HD1 TYR 70 1HD TYR 70 1.788 -4.442 -0.605 470 HD2 TYR 70 2HD TYR 70 1.214 -7.904 1.801 471 HE1 TYR 70 1HE TYR 70 -0.542 -4.588 -1.382 472 HE2 TYR 70 2HE TYR 70 -1.116 -8.060 1.030 473 HH TYR 70 HH TYR 70 -2.726 -5.592 -0.468 474 H ILE 71 H ILE 71 4.369 -8.869 1.717 475 HA ILE 71 HA ILE 71 2.589 -10.563 0.128 476 HB ILE 71 HB ILE 71 5.417 -11.317 0.870 477 HG12 ILE 71 1HG1 ILE 71 4.127 -11.316 -1.857 478 HG13 ILE 71 2HG1 ILE 71 4.969 -9.910 -1.214 479 HG21 ILE 71 1HG2 ILE 71 4.445 -13.367 -0.650 480 HG22 ILE 71 2HG2 ILE 71 4.577 -13.379 1.107 481 HG23 ILE 71 3HG2 ILE 71 3.048 -12.948 0.342 482 HD11 ILE 71 1HD1 ILE 71 6.987 -10.799 -1.586 483 HD12 ILE 71 2HD1 ILE 71 6.484 -12.414 -1.087 484 HD13 ILE 71 3HD1 ILE 71 6.117 -11.840 -2.713 485 HA PRO 72 HA PRO 72 1.416 -11.229 4.426 486 HB2 PRO 72 1HB PRO 72 -0.954 -12.411 3.826 487 HB3 PRO 72 2HB PRO 72 -0.723 -10.658 3.808 488 HG2 PRO 72 1HG PRO 72 -0.718 -12.593 1.524 489 HG3 PRO 72 2HG PRO 72 -1.471 -10.991 1.632 490 HD2 PRO 72 1HD PRO 72 0.886 -11.412 0.366 491 HD3 PRO 72 2HD PRO 72 0.510 -9.893 1.206 492 H PHE 73 H PHE 73 0.659 -13.202 5.623 493 HA PHE 73 HA PHE 73 1.752 -15.650 4.401 494 HB2 PHE 73 1HB PHE 73 2.019 -14.644 7.235 495 HB3 PHE 73 2HB PHE 73 2.375 -16.305 6.772 496 HD1 PHE 73 1HD PHE 73 3.174 -12.902 5.455 497 HD2 PHE 73 2HD PHE 73 4.602 -16.761 6.544 498 HE1 PHE 73 1HE PHE 73 5.456 -12.232 4.825 499 HE2 PHE 73 2HE PHE 73 6.886 -16.097 5.916 500 HZ PHE 73 HZ PHE 73 7.316 -13.829 5.056 501 H ALA 74 H ALA 74 -0.917 -14.145 5.799 502 HA ALA 74 HA ALA 74 -2.361 -16.681 5.854 503 HB1 ALA 74 1HB ALA 74 -2.789 -14.793 8.133 504 HB2 ALA 74 2HB ALA 74 -3.159 -16.515 8.019 505 HB3 ALA 74 3HB ALA 74 -1.487 -15.982 8.194 506 HA PRO 75 HA PRO 75 -5.414 -14.259 3.802 507 HB2 PRO 75 1HB PRO 75 -7.570 -15.857 4.214 508 HB3 PRO 75 2HB PRO 75 -6.284 -16.255 3.068 509 HG2 PRO 75 1HG PRO 75 -6.707 -17.248 5.860 510 HG3 PRO 75 2HG PRO 75 -6.232 -18.152 4.411 511 HD2 PRO 75 1HD PRO 75 -4.446 -17.369 6.289 512 HD3 PRO 75 2HD PRO 75 -4.028 -17.493 4.568 513 H GLY 76 H GLY 76 -7.024 -12.776 4.237 514 HA2 GLY 76 1HA GLY 76 -8.900 -12.569 6.121 515 HA3 GLY 76 2HA GLY 76 -7.459 -12.201 7.057 516 H ASP 77 H ASP 77 -8.988 -10.211 7.235 517 HA ASP 77 HA ASP 77 -8.774 -8.388 4.986 518 HB2 ASP 77 1HB ASP 77 -9.914 -6.821 6.737 519 HB3 ASP 77 2HB ASP 77 -10.839 -8.134 6.014 520 H TYR 78 H TYR 78 -6.940 -7.321 4.678 521 HA TYR 78 HA TYR 78 -5.295 -6.601 6.999 522 HB2 TYR 78 1HB TYR 78 -4.689 -6.918 4.068 523 HB3 TYR 78 2HB TYR 78 -3.586 -6.068 5.144 524 HD1 TYR 78 1HD TYR 78 -5.462 -9.301 4.997 525 HD2 TYR 78 2HD TYR 78 -1.879 -7.289 6.100 526 HE1 TYR 78 1HE TYR 78 -4.468 -11.449 5.663 527 HE2 TYR 78 2HE TYR 78 -0.875 -9.432 6.769 528 HH TYR 78 HH TYR 78 -2.747 -12.419 6.764 529 H ASP 79 H ASP 79 -4.277 -4.482 7.036 530 HA ASP 79 HA ASP 79 -5.856 -2.417 5.651 531 HB2 ASP 79 1HB ASP 79 -5.208 -2.705 8.547 532 HB3 ASP 79 2HB ASP 79 -5.234 -1.081 7.866 533 H VAL 80 H VAL 80 -4.411 -1.808 4.124 534 HA VAL 80 HA VAL 80 -1.610 -1.568 4.612 535 HB VAL 80 HB VAL 80 -3.250 -0.457 2.330 536 HG11 VAL 80 1HG1 VAL 80 -0.910 -0.722 1.205 537 HG12 VAL 80 2HG1 VAL 80 -1.267 0.708 2.175 538 HG13 VAL 80 3HG1 VAL 80 -0.316 -0.610 2.862 539 HG21 VAL 80 1HG2 VAL 80 -3.456 -2.877 2.513 540 HG22 VAL 80 2HG2 VAL 80 -2.497 -2.438 1.100 541 HG23 VAL 80 3HG2 VAL 80 -1.700 -3.036 2.555 542 H ASN 81 H ASN 81 -0.900 -0.080 6.011 543 HA ASN 81 HA ASN 81 -2.180 2.523 6.184 544 HB2 ASN 81 1HB ASN 81 0.060 1.236 7.751 545 HB3 ASN 81 2HB ASN 81 -0.488 2.887 8.026 546 HD21 ASN 81 1HD2 ASN 81 -1.574 -0.466 7.953 547 HD22 ASN 81 2HD2 ASN 81 -2.815 -0.278 9.140 548 H ILE 82 H ILE 82 -1.387 4.385 5.391 549 HA ILE 82 HA ILE 82 1.369 4.459 4.402 550 HB ILE 82 HB ILE 82 -0.977 5.385 2.742 551 HG12 ILE 82 1HG1 ILE 82 0.834 3.122 1.982 552 HG13 ILE 82 2HG1 ILE 82 -0.514 2.823 3.073 553 HG21 ILE 82 1HG2 ILE 82 1.979 5.555 2.459 554 HG22 ILE 82 2HG2 ILE 82 1.005 5.333 1.006 555 HG23 ILE 82 3HG2 ILE 82 0.734 6.733 2.044 556 HD11 ILE 82 1HD1 ILE 82 -1.220 2.303 0.867 557 HD12 ILE 82 2HD1 ILE 82 -2.021 3.801 1.343 558 HD13 ILE 82 3HD1 ILE 82 -0.636 3.849 0.252 559 H THR 83 H THR 83 2.377 6.276 4.962 560 HA THR 83 HA THR 83 0.800 8.704 5.442 561 HB THR 83 HB THR 83 2.238 9.176 7.458 562 HG1 THR 83 1HG THR 83 2.710 6.405 7.623 563 HG21 THR 83 1HG2 THR 83 0.155 7.058 7.303 564 HG22 THR 83 2HG2 THR 83 0.123 8.617 8.127 565 HG23 THR 83 3HG2 THR 83 1.010 7.265 8.831 566 H TYR 84 H TYR 84 1.755 10.560 4.784 567 HA TYR 84 HA TYR 84 4.404 10.305 3.543 568 HB2 TYR 84 1HB TYR 84 2.285 11.096 2.264 569 HB3 TYR 84 2HB TYR 84 2.540 12.621 3.106 570 HD1 TYR 84 1HD TYR 84 4.759 10.160 1.362 571 HD2 TYR 84 2HD TYR 84 3.527 14.212 1.772 572 HE1 TYR 84 1HE TYR 84 6.396 10.824 -0.349 573 HE2 TYR 84 2HE TYR 84 5.160 14.887 0.062 574 HH TYR 84 HH TYR 84 7.480 13.803 -0.796 575 H GLY 85 H GLY 85 5.981 10.901 4.890 576 HA2 GLY 85 1HA GLY 85 7.297 12.358 6.108 577 HA3 GLY 85 2HA GLY 85 6.071 13.595 5.873 578 H GLY 86 H GLY 86 3.956 13.070 7.146 579 HA2 GLY 86 1HA GLY 86 4.275 11.639 9.609 580 HA3 GLY 86 2HA GLY 86 4.415 13.377 9.831 581 H ALA 87 H ALA 87 2.358 12.208 7.318 582 HA ALA 87 HA ALA 87 -0.013 12.529 9.020 583 HB1 ALA 87 1HB ALA 87 -0.211 14.589 8.113 584 HB2 ALA 87 2HB ALA 87 0.760 14.181 6.698 585 HB3 ALA 87 3HB ALA 87 -0.930 13.684 6.781 586 H HIS 88 H HIS 88 -1.943 11.556 8.164 587 HA HIS 88 HA HIS 88 -1.340 9.195 6.565 588 HB2 HIS 88 1HB HIS 88 -3.504 9.983 8.455 589 HB3 HIS 88 2HB HIS 88 -3.898 8.806 7.206 590 HD1 HIS 88 1HD HIS 88 -2.987 6.452 7.481 591 HD2 HIS 88 2HD HIS 88 -1.569 9.102 10.349 592 HE1 HIS 88 1HE HIS 88 -1.827 5.027 9.198 593 HE2 HIS 88 2HE HIS 88 -1.051 6.645 10.966 594 H ILE 89 H ILE 89 -1.918 8.950 4.504 595 HA ILE 89 HA ILE 89 -3.076 11.116 3.058 596 HB ILE 89 HB ILE 89 -2.896 9.711 1.097 597 HG12 ILE 89 1HG1 ILE 89 -1.948 7.429 2.812 598 HG13 ILE 89 2HG1 ILE 89 -3.656 7.626 2.435 599 HG21 ILE 89 1HG2 ILE 89 -0.435 8.957 1.441 600 HG22 ILE 89 2HG2 ILE 89 -0.842 10.669 1.541 601 HG23 ILE 89 3HG2 ILE 89 -0.606 9.732 3.016 602 HD11 ILE 89 1HD1 ILE 89 -3.395 6.816 0.383 603 HD12 ILE 89 2HD1 ILE 89 -1.955 7.791 0.086 604 HD13 ILE 89 3HD1 ILE 89 -1.819 6.253 0.939 605 HA PRO 90 HA PRO 90 -7.360 10.159 3.250 606 HB2 PRO 90 1HB PRO 90 -8.183 11.111 0.845 607 HB3 PRO 90 2HB PRO 90 -7.719 12.163 2.187 608 HG2 PRO 90 1HG PRO 90 -6.124 11.330 -0.205 609 HG3 PRO 90 2HG PRO 90 -6.260 12.930 0.547 610 HD2 PRO 90 1HD PRO 90 -4.146 11.293 0.975 611 HD3 PRO 90 2HD PRO 90 -4.751 12.414 2.212 612 H GLY 91 H GLY 91 -7.293 7.873 3.239 613 HA2 GLY 91 1HA GLY 91 -8.745 6.435 1.555 614 HA3 GLY 91 2HA GLY 91 -7.239 6.516 0.654 615 H SER 92 H SER 92 -6.015 6.585 3.553 616 HA SER 92 HA SER 92 -5.900 3.654 3.778 617 HB2 SER 92 1HB SER 92 -3.697 4.205 3.488 618 HB3 SER 92 2HB SER 92 -3.902 5.822 4.162 619 HG SER 92 HG SER 92 -3.637 5.048 6.155 620 HA PRO 93 HA PRO 93 -4.705 2.366 5.367 621 HB2 PRO 93 1HB PRO 93 -5.941 0.271 6.572 622 HB3 PRO 93 2HB PRO 93 -4.738 1.276 7.389 623 HG2 PRO 93 1HG PRO 93 -7.725 1.390 7.550 624 HG3 PRO 93 2HG PRO 93 -6.529 1.517 8.852 625 HD2 PRO 93 1HD PRO 93 -7.747 3.683 7.777 626 HD3 PRO 93 2HD PRO 93 -6.085 3.733 8.399 627 H PHE 94 H PHE 94 -4.995 0.933 3.682 628 HA PHE 94 HA PHE 94 -7.627 1.012 2.412 629 HB2 PHE 94 1HB PHE 94 -4.902 0.239 1.358 630 HB3 PHE 94 2HB PHE 94 -6.384 0.126 0.415 631 HD1 PHE 94 2HD PHE 94 -4.203 2.510 2.228 632 HD2 PHE 94 1HD PHE 94 -7.224 1.981 -0.724 633 HE1 PHE 94 2HE PHE 94 -3.944 4.860 1.546 634 HE2 PHE 94 1HE PHE 94 -6.968 4.330 -1.411 635 HZ PHE 94 HZ PHE 94 -5.327 5.773 -0.275 636 H ARG 95 H ARG 95 -8.926 -0.591 3.048 637 HA ARG 95 HA ARG 95 -8.042 -3.093 4.018 638 HB2 ARG 95 1HB ARG 95 -10.343 -1.807 4.261 639 HB3 ARG 95 2HB ARG 95 -10.777 -2.784 2.864 640 HG2 ARG 95 1HG ARG 95 -9.615 -4.029 5.327 641 HG3 ARG 95 2HG ARG 95 -11.339 -3.677 5.195 642 HD2 ARG 95 1HD ARG 95 -9.760 -5.354 3.248 643 HD3 ARG 95 2HD ARG 95 -10.763 -5.995 4.549 644 HE ARG 95 HE ARG 95 -11.660 -4.896 2.039 645 HH11 ARG 95 1HH1 ARG 95 -12.520 -5.677 5.321 646 HH12 ARG 95 2HH1 ARG 95 -14.217 -5.776 4.990 647 HH21 ARG 95 1HH2 ARG 95 -13.893 -5.025 1.591 648 HH22 ARG 95 2HH2 ARG 95 -14.997 -5.406 2.868 649 H VAL 96 H VAL 96 -7.565 -4.947 3.013 650 HA VAL 96 HA VAL 96 -8.352 -5.289 0.204 651 HB VAL 96 HB VAL 96 -5.586 -5.973 1.192 652 HG11 VAL 96 1HG1 VAL 96 -6.724 -5.759 -1.593 653 HG12 VAL 96 2HG1 VAL 96 -5.074 -6.219 -1.170 654 HG13 VAL 96 3HG1 VAL 96 -6.423 -7.263 -0.722 655 HG21 VAL 96 1HG2 VAL 96 -6.678 -3.439 0.107 656 HG22 VAL 96 2HG2 VAL 96 -5.361 -3.708 1.248 657 HG23 VAL 96 3HG2 VAL 96 -5.097 -3.960 -0.477 658 HA PRO 97 HA PRO 97 -9.611 -9.194 1.939 659 HB2 PRO 97 1HB PRO 97 -10.589 -10.223 -0.376 660 HB3 PRO 97 2HB PRO 97 -11.460 -9.021 0.584 661 HG2 PRO 97 1HG PRO 97 -9.788 -8.635 -1.869 662 HG3 PRO 97 2HG PRO 97 -11.352 -7.910 -1.455 663 HD2 PRO 97 1HD PRO 97 -9.009 -6.585 -1.164 664 HD3 PRO 97 2HD PRO 97 -10.395 -6.321 -0.087 665 H VAL 98 H VAL 98 -7.697 -10.226 2.431 666 HA VAL 98 HA VAL 98 -6.042 -11.299 0.291 667 HB VAL 98 HB VAL 98 -5.706 -11.489 3.288 668 HG11 VAL 98 1HG1 VAL 98 -4.616 -13.177 1.498 669 HG12 VAL 98 2HG1 VAL 98 -3.413 -11.886 1.476 670 HG13 VAL 98 3HG1 VAL 98 -3.817 -12.691 2.993 671 HG21 VAL 98 1HG2 VAL 98 -4.934 -9.476 1.278 672 HG22 VAL 98 2HG2 VAL 98 -5.223 -9.300 3.009 673 HG23 VAL 98 3HG2 VAL 98 -3.680 -9.930 2.432 674 H LYS 99 H LYS 99 -6.825 -13.083 -0.646 675 HA LYS 99 HA LYS 99 -8.208 -15.094 0.948 676 HB2 LYS 99 1HB LYS 99 -7.689 -15.074 -2.028 677 HB3 LYS 99 2HB LYS 99 -8.815 -16.110 -1.161 678 HG2 LYS 99 1HG LYS 99 -10.305 -14.361 -0.765 679 HG3 LYS 99 2HG LYS 99 -9.091 -13.127 -1.108 680 HD2 LYS 99 1HD LYS 99 -10.506 -13.160 -2.993 681 HD3 LYS 99 2HD LYS 99 -9.053 -14.036 -3.481 682 HE2 LYS 99 1HE LYS 99 -10.172 -16.154 -3.089 683 HE3 LYS 99 2HE LYS 99 -11.608 -15.312 -2.509 684 HZ1 LYS 99 1HZ LYS 99 -12.288 -14.891 -4.581 685 HZ2 LYS 99 2HZ LYS 99 -11.221 -16.119 -5.045 686 HZ3 LYS 99 3HZ LYS 99 -10.738 -14.500 -5.136 687 H ASP 100 H ASP 100 -7.679 -17.451 0.167 688 HA ASP 100 HA ASP 100 -4.762 -17.774 0.403 689 HB2 ASP 100 1HB ASP 100 -5.541 -20.162 1.174 690 HB3 ASP 100 2HB ASP 100 -5.596 -18.806 2.297 691 H VAL 101 H VAL 101 -3.731 -18.537 -1.311 692 HA VAL 101 HA VAL 101 -4.774 -19.120 -3.755 693 HB VAL 101 HB VAL 101 -2.330 -20.420 -2.543 694 HG11 VAL 101 1HG1 VAL 101 -1.732 -20.262 -5.129 695 HG12 VAL 101 2HG1 VAL 101 -2.556 -21.660 -4.438 696 HG13 VAL 101 3HG1 VAL 101 -3.482 -20.414 -5.276 697 HG21 VAL 101 1HG2 VAL 101 -2.638 -17.879 -4.139 698 HG22 VAL 101 2HG2 VAL 101 -2.217 -17.998 -2.431 699 HG23 VAL 101 3HG2 VAL 101 -1.102 -18.600 -3.658 700 H VAL 102 H VAL 102 -4.187 -21.429 -1.128 701 HA VAL 102 HA VAL 102 -6.336 -23.103 -1.935 702 HB VAL 102 HB VAL 102 -4.843 -23.860 -3.665 703 HG11 VAL 102 1HG1 VAL 102 -2.643 -23.751 -3.388 704 HG12 VAL 102 2HG1 VAL 102 -2.843 -23.467 -1.657 705 HG13 VAL 102 3HG1 VAL 102 -2.740 -25.116 -2.276 706 HG21 VAL 102 1HG2 VAL 102 -5.083 -25.796 -1.369 707 HG22 VAL 102 2HG2 VAL 102 -6.187 -25.596 -2.730 708 HG23 VAL 102 3HG2 VAL 102 -4.575 -26.262 -2.993 709 H ASP 103 H ASP 103 -6.970 -24.416 -0.295 710 HA ASP 103 HA ASP 103 -5.540 -24.155 2.215 711 HB2 ASP 103 1HB ASP 103 -7.506 -24.774 3.265 712 HB3 ASP 103 2HB ASP 103 -8.128 -24.033 1.793 713 HA PRO 104 HA PRO 104 -3.517 -28.056 2.083 714 HB2 PRO 104 1HB PRO 104 -3.276 -28.531 4.745 715 HB3 PRO 104 2HB PRO 104 -2.305 -27.326 3.893 716 HG2 PRO 104 1HG PRO 104 -4.766 -26.945 5.554 717 HG3 PRO 104 2HG PRO 104 -3.276 -25.984 5.524 718 HD2 PRO 104 1HD PRO 104 -5.532 -25.214 4.241 719 HD3 PRO 104 2HD PRO 104 -3.910 -24.829 3.633 720 H SER 105 H SER 105 -4.020 -30.197 2.063 721 HA SER 105 HA SER 105 -6.748 -30.930 2.622 722 HB2 SER 105 1HB SER 105 -5.676 -31.810 0.623 723 HB3 SER 105 2HB SER 105 -4.410 -32.559 1.597 724 HG SER 105 HG SER 105 -5.994 -34.081 1.052 Start of MODEL 2 1 H1 GLY 1 H GLY 1 11.097 36.698 13.937 2 HA2 GLY 1 1HA GLY 1 12.388 38.999 12.648 3 HA3 GLY 1 2HA GLY 1 13.335 37.542 12.912 4 H SER 2 H SER 2 13.554 37.709 10.530 5 HA SER 2 HA SER 2 11.200 36.973 8.992 6 HB2 SER 2 1HB SER 2 14.048 37.622 8.231 7 HB3 SER 2 2HB SER 2 12.866 37.037 7.060 8 HG SER 2 HG SER 2 12.990 39.482 8.406 9 H SER 3 H SER 3 10.603 34.908 9.071 10 HA SER 3 HA SER 3 12.606 32.858 8.486 11 HB2 SER 3 1HB SER 3 10.839 32.951 10.914 12 HB3 SER 3 2HB SER 3 11.354 31.402 10.247 13 HG SER 3 HG SER 3 13.526 32.152 10.471 14 H GLY 4 H GLY 4 11.885 31.258 7.173 15 HA2 GLY 4 1HA GLY 4 9.259 31.608 6.000 16 HA3 GLY 4 2HA GLY 4 10.508 30.496 5.458 17 H SER 5 H SER 5 8.354 29.246 5.280 18 HA SER 5 HA SER 5 8.036 27.692 7.761 19 HB2 SER 5 1HB SER 5 5.891 28.638 5.857 20 HB3 SER 5 2HB SER 5 5.630 27.328 7.009 21 HG SER 5 HG SER 5 5.492 29.942 7.439 22 H SER 6 H SER 6 9.354 26.020 7.144 23 HA SER 6 HA SER 6 8.499 24.509 4.761 24 HB2 SER 6 1HB SER 6 11.275 24.728 5.952 25 HB3 SER 6 2HB SER 6 10.833 23.671 4.611 26 HG SER 6 HG SER 6 11.719 25.650 3.883 27 H GLY 7 H GLY 7 7.961 22.418 5.026 28 HA2 GLY 7 1HA GLY 7 8.761 20.394 6.459 29 HA3 GLY 7 2HA GLY 7 8.076 21.357 7.760 30 H GLY 8 H GLY 8 5.794 22.356 6.616 31 HA2 GLY 8 1HA GLY 8 4.016 20.183 6.866 32 HA3 GLY 8 2HA GLY 8 3.593 21.790 6.293 33 H CYS 9 H CYS 9 3.611 18.616 5.468 34 HA CYS 9 HA CYS 9 4.026 19.125 2.607 35 HB2 CYS 9 1HB CYS 9 3.890 16.558 4.193 36 HB3 CYS 9 2HB CYS 9 3.949 16.606 2.436 37 HG CYS 9 HG CYS 9 6.414 16.808 4.618 38 H GLN 10 H GLN 10 2.514 17.462 1.295 39 HA GLN 10 HA GLN 10 -0.240 17.933 2.231 40 HB2 GLN 10 1HB GLN 10 0.878 18.157 -0.564 41 HB3 GLN 10 2HB GLN 10 -0.844 18.120 -0.209 42 HG2 GLN 10 1HG GLN 10 -0.849 20.216 0.689 43 HG3 GLN 10 2HG GLN 10 0.836 20.123 1.198 44 HE21 GLN 10 1HE2 GLN 10 2.472 20.300 -0.455 45 HE22 GLN 10 2HE2 GLN 10 2.156 21.237 -1.871 46 HA PRO 11 HA PRO 11 0.158 13.405 1.755 47 HB2 PRO 11 1HB PRO 11 -1.704 12.839 3.648 48 HB3 PRO 11 2HB PRO 11 -0.015 13.188 4.036 49 HG2 PRO 11 1HG PRO 11 -2.398 14.995 4.159 50 HG3 PRO 11 2HG PRO 11 -1.069 14.815 5.320 51 HD2 PRO 11 1HD PRO 11 -1.179 16.847 3.533 52 HD3 PRO 11 2HD PRO 11 0.354 16.144 4.086 53 H SER 12 H SER 12 -2.180 15.681 1.034 54 HA SER 12 HA SER 12 -4.272 13.795 0.326 55 HB2 SER 12 1HB SER 12 -4.216 16.739 -0.333 56 HB3 SER 12 2HB SER 12 -5.621 15.686 -0.171 57 HG SER 12 HG SER 12 -4.790 17.200 1.665 58 H ARG 13 H ARG 13 -1.777 15.703 -1.224 59 HA ARG 13 HA ARG 13 -2.659 15.414 -3.887 60 HB2 ARG 13 1HB ARG 13 0.190 15.719 -2.927 61 HB3 ARG 13 2HB ARG 13 -0.429 16.105 -4.527 62 HG2 ARG 13 1HG ARG 13 -1.663 17.471 -2.202 63 HG3 ARG 13 2HG ARG 13 -0.038 17.958 -2.687 64 HD2 ARG 13 1HD ARG 13 -2.374 17.796 -4.583 65 HD3 ARG 13 2HD ARG 13 -1.907 19.269 -3.733 66 HE ARG 13 HE ARG 13 -0.645 18.140 -6.033 67 HH11 ARG 13 1HH1 ARG 13 -0.088 20.021 -3.157 68 HH12 ARG 13 2HH1 ARG 13 1.299 20.836 -3.801 69 HH21 ARG 13 1HH2 ARG 13 1.179 19.206 -6.892 70 HH22 ARG 13 2HH2 ARG 13 2.018 20.372 -5.926 71 H VAL 14 H VAL 14 -1.135 13.239 -1.706 72 HA VAL 14 HA VAL 14 0.096 11.521 -3.606 73 HB VAL 14 HB VAL 14 -0.890 10.731 -0.866 74 HG11 VAL 14 1HG1 VAL 14 1.531 9.711 -2.317 75 HG12 VAL 14 2HG1 VAL 14 0.669 8.987 -0.958 76 HG13 VAL 14 3HG1 VAL 14 -0.065 9.002 -2.563 77 HG21 VAL 14 1HG2 VAL 14 0.447 12.796 -0.744 78 HG22 VAL 14 2HG2 VAL 14 1.261 11.426 0.011 79 HG23 VAL 14 3HG2 VAL 14 1.761 11.976 -1.588 80 H GLN 15 H GLN 15 -0.619 9.614 -4.516 81 HA GLN 15 HA GLN 15 -3.431 8.886 -4.103 82 HB2 GLN 15 1HB GLN 15 -2.139 9.141 -6.823 83 HB3 GLN 15 2HB GLN 15 -3.800 8.665 -6.494 84 HG2 GLN 15 1HG GLN 15 -4.291 10.866 -5.617 85 HG3 GLN 15 2HG GLN 15 -2.612 11.353 -5.845 86 HE21 GLN 15 1HE2 GLN 15 -1.824 10.980 -8.165 87 HE22 GLN 15 2HE2 GLN 15 -2.894 11.513 -9.413 88 H ALA 16 H ALA 16 -3.798 6.746 -4.002 89 HA ALA 16 HA ALA 16 -1.630 4.934 -4.838 90 HB1 ALA 16 1HB ALA 16 -3.329 4.241 -2.489 91 HB2 ALA 16 2HB ALA 16 -1.678 3.751 -2.871 92 HB3 ALA 16 3HB ALA 16 -2.000 5.382 -2.282 93 H GLN 17 H GLN 17 -2.291 3.577 -6.358 94 HA GLN 17 HA GLN 17 -4.897 2.311 -6.160 95 HB2 GLN 17 1HB GLN 17 -5.603 2.902 -8.393 96 HB3 GLN 17 2HB GLN 17 -5.296 4.372 -7.479 97 HG2 GLN 17 1HG GLN 17 -2.944 4.249 -8.569 98 HG3 GLN 17 2HG GLN 17 -3.738 3.183 -9.728 99 HE21 GLN 17 1HE2 GLN 17 -3.808 6.396 -8.305 100 HE22 GLN 17 2HE2 GLN 17 -4.591 7.171 -9.635 101 H GLY 18 H GLY 18 -4.984 0.305 -7.116 102 HA2 GLY 18 1HA GLY 18 -3.593 -0.813 -9.132 103 HA3 GLY 18 2HA GLY 18 -2.422 -0.847 -7.822 104 HA PRO 19 HA PRO 19 -4.986 -4.731 -7.680 105 HB2 PRO 19 1HB PRO 19 -2.867 -6.423 -7.556 106 HB3 PRO 19 2HB PRO 19 -3.554 -5.855 -9.082 107 HG2 PRO 19 1HG PRO 19 -1.137 -4.877 -7.612 108 HG3 PRO 19 2HG PRO 19 -1.349 -5.166 -9.349 109 HD2 PRO 19 1HD PRO 19 -1.478 -2.691 -8.258 110 HD3 PRO 19 2HD PRO 19 -2.434 -3.160 -9.679 111 H GLY 20 H GLY 20 -1.913 -4.111 -5.968 112 HA2 GLY 20 1HA GLY 20 -2.325 -5.664 -3.725 113 HA3 GLY 20 2HA GLY 20 -1.406 -4.166 -3.727 114 H LEU 21 H LEU 21 -4.049 -2.858 -4.657 115 HA LEU 21 HA LEU 21 -5.082 -2.476 -1.936 116 HB2 LEU 21 1HB LEU 21 -5.549 -0.748 -4.357 117 HB3 LEU 21 2HB LEU 21 -5.925 -0.359 -2.680 118 HG LEU 21 HG LEU 21 -3.133 -0.711 -3.767 119 HD11 LEU 21 1HD1 LEU 21 -3.633 1.255 -4.769 120 HD12 LEU 21 2HD1 LEU 21 -3.275 1.886 -3.161 121 HD13 LEU 21 3HD1 LEU 21 -4.948 1.621 -3.652 122 HD21 LEU 21 1HD2 LEU 21 -3.440 0.845 -1.357 123 HD22 LEU 21 2HD2 LEU 21 -2.419 -0.559 -1.668 124 HD23 LEU 21 3HD2 LEU 21 -4.092 -0.781 -1.153 125 H LYS 22 H LYS 22 -5.995 -3.403 -5.177 126 HA LYS 22 HA LYS 22 -8.817 -3.377 -4.697 127 HB2 LYS 22 1HB LYS 22 -7.500 -3.277 -6.954 128 HB3 LYS 22 2HB LYS 22 -7.524 -5.032 -6.836 129 HG2 LYS 22 1HG LYS 22 -9.899 -5.085 -6.891 130 HG3 LYS 22 2HG LYS 22 -10.001 -3.332 -6.711 131 HD2 LYS 22 1HD LYS 22 -8.621 -3.286 -8.911 132 HD3 LYS 22 2HD LYS 22 -9.182 -4.950 -9.093 133 HE2 LYS 22 1HE LYS 22 -10.737 -3.604 -10.254 134 HE3 LYS 22 2HE LYS 22 -11.522 -4.062 -8.744 135 HZ1 LYS 22 1HZ LYS 22 -11.211 -1.520 -9.716 136 HZ2 LYS 22 2HZ LYS 22 -10.065 -1.628 -8.477 137 HZ3 LYS 22 3HZ LYS 22 -11.695 -1.944 -8.151 138 H GLU 23 H GLU 23 -6.396 -5.973 -4.996 139 HA GLU 23 HA GLU 23 -7.683 -7.543 -2.983 140 HB2 GLU 23 1HB GLU 23 -8.418 -9.391 -4.299 141 HB3 GLU 23 2HB GLU 23 -9.128 -7.944 -5.002 142 HG2 GLU 23 1HG GLU 23 -7.463 -7.942 -6.758 143 HG3 GLU 23 2HG GLU 23 -6.668 -9.338 -6.033 144 H ALA 24 H ALA 24 -6.388 -9.213 -2.237 145 HA ALA 24 HA ALA 24 -3.837 -9.648 -3.629 146 HB1 ALA 24 1HB ALA 24 -3.119 -8.144 -2.021 147 HB2 ALA 24 2HB ALA 24 -4.238 -8.755 -0.802 148 HB3 ALA 24 3HB ALA 24 -2.819 -9.702 -1.249 149 H PHE 25 H PHE 25 -2.609 -11.434 -2.132 150 HA PHE 25 HA PHE 25 -4.484 -13.508 -1.312 151 HB2 PHE 25 1HB PHE 25 -2.739 -13.644 -3.726 152 HB3 PHE 25 2HB PHE 25 -2.932 -15.105 -2.763 153 HD1 PHE 25 2HD PHE 25 -4.777 -12.532 -4.673 154 HD2 PHE 25 1HD PHE 25 -4.881 -16.404 -2.908 155 HE1 PHE 25 2HE PHE 25 -6.915 -12.985 -5.801 156 HE2 PHE 25 1HE PHE 25 -7.019 -16.864 -4.035 157 HZ PHE 25 HZ PHE 25 -8.040 -15.153 -5.483 158 H THR 26 H THR 26 -3.326 -15.405 -0.360 159 HA THR 26 HA THR 26 -1.327 -14.467 1.468 160 HB THR 26 HB THR 26 -1.377 -16.760 2.385 161 HG1 THR 26 1HG THR 26 -2.780 -17.214 0.006 162 HG21 THR 26 1HG2 THR 26 -4.015 -15.401 1.864 163 HG22 THR 26 2HG2 THR 26 -2.994 -15.288 3.298 164 HG23 THR 26 3HG2 THR 26 -3.852 -16.787 2.942 165 H ASN 27 H ASN 27 0.816 -14.622 1.310 166 HA ASN 27 HA ASN 27 2.895 -15.133 0.542 167 HB2 ASN 27 1HB ASN 27 1.521 -17.708 -0.257 168 HB3 ASN 27 2HB ASN 27 3.263 -17.453 -0.306 169 HD21 ASN 27 1HD2 ASN 27 0.588 -16.943 1.974 170 HD22 ASN 27 2HD2 ASN 27 1.409 -17.600 3.344 171 H LYS 28 H LYS 28 1.090 -13.666 -1.144 172 HA LYS 28 HA LYS 28 2.219 -14.360 -3.775 173 HB2 LYS 28 1HB LYS 28 -0.568 -13.517 -3.048 174 HB3 LYS 28 2HB LYS 28 0.073 -13.172 -4.649 175 HG2 LYS 28 1HG LYS 28 0.667 -15.738 -4.591 176 HG3 LYS 28 2HG LYS 28 -0.642 -15.773 -3.407 177 HD2 LYS 28 1HD LYS 28 -2.235 -15.205 -4.950 178 HD3 LYS 28 2HD LYS 28 -1.095 -14.313 -5.959 179 HE2 LYS 28 1HE LYS 28 -0.892 -17.288 -5.671 180 HE3 LYS 28 2HE LYS 28 -2.029 -16.569 -6.811 181 HZ1 LYS 28 1HZ LYS 28 0.853 -15.885 -6.794 182 HZ2 LYS 28 2HZ LYS 28 -0.285 -15.577 -8.007 183 HZ3 LYS 28 3HZ LYS 28 0.229 -17.161 -7.713 184 HA PRO 29 HA PRO 29 3.891 -10.291 -3.806 185 HB2 PRO 29 1HB PRO 29 4.141 -9.931 -6.485 186 HB3 PRO 29 2HB PRO 29 5.199 -11.000 -5.557 187 HG2 PRO 29 1HG PRO 29 2.815 -11.684 -7.233 188 HG3 PRO 29 2HG PRO 29 4.384 -12.504 -7.131 189 HD2 PRO 29 1HD PRO 29 2.181 -13.409 -5.843 190 HD3 PRO 29 2HD PRO 29 3.820 -13.615 -5.192 191 H ASN 30 H ASN 30 2.614 -8.641 -3.222 192 HA ASN 30 HA ASN 30 0.546 -7.754 -5.126 193 HB2 ASN 30 1HB ASN 30 0.314 -7.166 -2.199 194 HB3 ASN 30 2HB ASN 30 -0.954 -7.302 -3.413 195 HD21 ASN 30 1HD2 ASN 30 0.923 -8.926 -1.067 196 HD22 ASN 30 2HD2 ASN 30 0.208 -10.489 -1.247 197 H VAL 31 H VAL 31 0.928 -5.820 -5.960 198 HA VAL 31 HA VAL 31 2.380 -3.834 -4.344 199 HB VAL 31 HB VAL 31 3.660 -3.099 -6.234 200 HG11 VAL 31 1HG1 VAL 31 4.344 -5.177 -4.890 201 HG12 VAL 31 2HG1 VAL 31 3.905 -6.087 -6.337 202 HG13 VAL 31 3HG1 VAL 31 5.175 -4.865 -6.413 203 HG21 VAL 31 1HG2 VAL 31 2.402 -5.276 -7.890 204 HG22 VAL 31 2HG2 VAL 31 1.846 -3.603 -7.907 205 HG23 VAL 31 3HG2 VAL 31 3.485 -3.993 -8.429 206 H PHE 32 H PHE 32 2.211 -1.599 -5.455 207 HA PHE 32 HA PHE 32 -0.222 -1.162 -6.952 208 HB2 PHE 32 1HB PHE 32 -0.941 0.574 -5.145 209 HB3 PHE 32 2HB PHE 32 -1.340 -1.125 -4.913 210 HD1 PHE 32 2HD PHE 32 0.229 -2.519 -3.460 211 HD2 PHE 32 1HD PHE 32 0.265 1.737 -3.537 212 HE1 PHE 32 2HE PHE 32 1.378 -2.493 -1.285 213 HE2 PHE 32 1HE PHE 32 1.415 1.770 -1.362 214 HZ PHE 32 HZ PHE 32 1.972 -0.347 -0.233 215 H THR 33 H THR 33 -0.534 1.197 -7.423 216 HA THR 33 HA THR 33 2.088 2.408 -7.901 217 HB THR 33 HB THR 33 -0.583 3.214 -9.066 218 HG1 THR 33 1HG THR 33 -0.248 1.755 -10.586 219 HG21 THR 33 1HG2 THR 33 0.495 4.887 -10.077 220 HG22 THR 33 2HG2 THR 33 1.769 3.804 -10.636 221 HG23 THR 33 3HG2 THR 33 1.875 4.539 -9.037 222 H VAL 34 H VAL 34 2.751 4.198 -6.893 223 HA VAL 34 HA VAL 34 0.765 5.748 -5.360 224 HB VAL 34 HB VAL 34 3.632 5.215 -4.565 225 HG11 VAL 34 1HG1 VAL 34 2.467 6.173 -2.349 226 HG12 VAL 34 2HG1 VAL 34 3.291 7.198 -3.526 227 HG13 VAL 34 3HG1 VAL 34 1.535 7.042 -3.568 228 HG21 VAL 34 1HG2 VAL 34 1.348 4.301 -2.914 229 HG22 VAL 34 2HG2 VAL 34 1.688 3.398 -4.390 230 HG23 VAL 34 3HG2 VAL 34 2.936 3.573 -3.156 231 H VAL 35 H VAL 35 0.502 7.636 -6.356 232 HA VAL 35 HA VAL 35 2.726 8.870 -7.783 233 HB VAL 35 HB VAL 35 -0.173 9.699 -7.598 234 HG11 VAL 35 1HG1 VAL 35 1.928 10.724 -9.496 235 HG12 VAL 35 2HG1 VAL 35 0.280 11.318 -9.283 236 HG13 VAL 35 3HG1 VAL 35 1.474 11.550 -8.005 237 HG21 VAL 35 1HG2 VAL 35 0.735 8.917 -10.208 238 HG22 VAL 35 2HG2 VAL 35 1.029 7.623 -9.047 239 HG23 VAL 35 3HG2 VAL 35 -0.598 8.273 -9.250 240 H THR 36 H THR 36 4.079 9.961 -6.493 241 HA THR 36 HA THR 36 2.906 11.856 -4.562 242 HB THR 36 HB THR 36 5.074 11.639 -3.293 243 HG1 THR 36 1HG THR 36 5.449 9.167 -4.585 244 HG21 THR 36 1HG2 THR 36 3.067 9.445 -3.567 245 HG22 THR 36 2HG2 THR 36 3.351 10.548 -2.220 246 HG23 THR 36 3HG2 THR 36 4.459 9.208 -2.513 247 H ARG 37 H ARG 37 3.232 12.659 -7.156 248 HA ARG 37 HA ARG 37 5.757 13.848 -7.677 249 HB2 ARG 37 1HB ARG 37 3.004 14.275 -8.825 250 HB3 ARG 37 2HB ARG 37 4.396 15.203 -9.365 251 HG2 ARG 37 1HG ARG 37 5.521 13.102 -9.991 252 HG3 ARG 37 2HG ARG 37 4.070 12.215 -9.519 253 HD2 ARG 37 1HD ARG 37 4.001 14.430 -11.548 254 HD3 ARG 37 2HD ARG 37 4.362 12.763 -11.995 255 HE ARG 37 HE ARG 37 1.950 13.023 -10.469 256 HH11 ARG 37 1HH1 ARG 37 3.332 13.215 -13.658 257 HH12 ARG 37 2HH1 ARG 37 1.837 12.881 -14.468 258 HH21 ARG 37 1HH2 ARG 37 -0.024 12.582 -11.524 259 HH22 ARG 37 2HH2 ARG 37 -0.071 12.522 -13.253 260 H GLY 38 H GLY 38 2.631 15.320 -6.766 261 HA2 GLY 38 1HA GLY 38 4.152 17.620 -5.708 262 HA3 GLY 38 2HA GLY 38 2.506 17.712 -6.319 263 H ALA 39 H ALA 39 4.247 15.729 -3.915 264 HA ALA 39 HA ALA 39 1.958 16.070 -2.106 265 HB1 ALA 39 1HB ALA 39 2.216 13.925 -1.605 266 HB2 ALA 39 2HB ALA 39 3.517 13.829 -2.793 267 HB3 ALA 39 3HB ALA 39 3.885 14.207 -1.110 268 H GLY 40 H GLY 40 5.523 15.884 -1.893 269 HA2 GLY 40 1HA GLY 40 5.985 18.286 -0.635 270 HA3 GLY 40 2HA GLY 40 5.585 17.168 0.661 271 H ILE 41 H ILE 41 7.815 17.757 1.330 272 HA ILE 41 HA ILE 41 9.779 16.034 -0.036 273 HB ILE 41 HB ILE 41 10.364 18.599 1.447 274 HG12 ILE 41 1HG1 ILE 41 10.767 18.129 -1.496 275 HG13 ILE 41 2HG1 ILE 41 9.219 18.694 -0.876 276 HG21 ILE 41 1HG2 ILE 41 12.179 16.758 -0.106 277 HG22 ILE 41 2HG2 ILE 41 12.646 18.300 0.610 278 HG23 ILE 41 3HG2 ILE 41 12.154 16.960 1.646 279 HD11 ILE 41 1HD1 ILE 41 10.927 20.415 -1.719 280 HD12 ILE 41 2HD1 ILE 41 10.097 20.725 -0.193 281 HD13 ILE 41 3HD1 ILE 41 11.754 20.121 -0.189 282 H GLY 42 H GLY 42 8.934 14.373 1.446 283 HA2 GLY 42 1HA GLY 42 10.422 14.460 3.974 284 HA3 GLY 42 2HA GLY 42 8.700 14.113 4.034 285 H GLY 43 H GLY 43 8.812 12.035 4.780 286 HA2 GLY 43 1HA GLY 43 10.083 10.101 2.942 287 HA3 GLY 43 2HA GLY 43 10.181 9.923 4.688 288 H LEU 44 H LEU 44 8.779 8.587 2.159 289 HA LEU 44 HA LEU 44 6.051 8.430 3.108 290 HB2 LEU 44 1HB LEU 44 6.432 8.435 0.733 291 HB3 LEU 44 2HB LEU 44 7.503 7.042 0.862 292 HG LEU 44 HG LEU 44 5.491 5.729 1.655 293 HD11 LEU 44 1HD1 LEU 44 3.939 8.022 0.478 294 HD12 LEU 44 2HD1 LEU 44 4.164 7.790 2.212 295 HD13 LEU 44 3HD1 LEU 44 3.311 6.572 1.263 296 HD21 LEU 44 1HD2 LEU 44 6.371 6.425 -0.928 297 HD22 LEU 44 2HD2 LEU 44 4.608 6.406 -0.980 298 HD23 LEU 44 3HD2 LEU 44 5.490 4.979 -0.433 299 H GLY 45 H GLY 45 5.229 6.917 4.413 300 HA2 GLY 45 1HA GLY 45 6.900 4.545 4.981 301 HA3 GLY 45 2HA GLY 45 5.998 5.395 6.227 302 H ILE 46 H ILE 46 5.893 3.023 3.750 303 HA ILE 46 HA ILE 46 2.989 2.712 4.052 304 HB ILE 46 HB ILE 46 4.834 1.379 2.067 305 HG12 ILE 46 1HG1 ILE 46 2.831 3.571 1.528 306 HG13 ILE 46 2HG1 ILE 46 4.529 3.899 1.860 307 HG21 ILE 46 1HG2 ILE 46 1.962 1.121 2.697 308 HG22 ILE 46 2HG2 ILE 46 2.388 1.181 0.988 309 HG23 ILE 46 3HG2 ILE 46 3.089 -0.058 2.028 310 HD11 ILE 46 1HD1 ILE 46 3.706 2.040 -0.336 311 HD12 ILE 46 2HD1 ILE 46 3.771 3.787 -0.575 312 HD13 ILE 46 3HD1 ILE 46 5.229 2.904 -0.122 313 H THR 47 H THR 47 2.308 1.303 5.509 314 HA THR 47 HA THR 47 3.889 -1.142 5.958 315 HB THR 47 HB THR 47 3.060 -1.069 8.346 316 HG1 THR 47 1HG THR 47 2.265 1.501 7.456 317 HG21 THR 47 1HG2 THR 47 4.689 0.880 8.936 318 HG22 THR 47 2HG2 THR 47 5.019 0.884 7.203 319 HG23 THR 47 3HG2 THR 47 5.315 -0.571 8.154 320 H VAL 48 H VAL 48 2.570 -2.894 7.013 321 HA VAL 48 HA VAL 48 -0.259 -2.779 6.219 322 HB VAL 48 HB VAL 48 1.666 -5.020 5.595 323 HG11 VAL 48 1HG1 VAL 48 -0.046 -6.429 5.716 324 HG12 VAL 48 2HG1 VAL 48 -1.149 -5.114 6.126 325 HG13 VAL 48 3HG1 VAL 48 -0.846 -5.518 4.436 326 HG21 VAL 48 1HG2 VAL 48 1.602 -3.018 4.074 327 HG22 VAL 48 2HG2 VAL 48 1.217 -4.558 3.305 328 HG23 VAL 48 3HG2 VAL 48 -0.075 -3.431 3.720 329 H GLU 49 H GLU 49 -1.655 -3.663 7.640 330 HA GLU 49 HA GLU 49 -0.515 -5.156 9.912 331 HB2 GLU 49 1HB GLU 49 -2.440 -2.888 9.829 332 HB3 GLU 49 2HB GLU 49 -2.709 -4.135 11.038 333 HG2 GLU 49 1HG GLU 49 0.019 -2.996 10.786 334 HG3 GLU 49 2HG GLU 49 -1.236 -2.010 11.533 335 H GLY 50 H GLY 50 -1.555 -6.982 10.581 336 HA2 GLY 50 1HA GLY 50 -4.219 -7.660 9.919 337 HA3 GLY 50 2HA GLY 50 -3.122 -8.413 8.772 338 HA PRO 51 HA PRO 51 -3.632 -11.258 12.402 339 HB2 PRO 51 1HB PRO 51 -4.061 -13.481 10.903 340 HB3 PRO 51 2HB PRO 51 -5.359 -12.381 11.384 341 HG2 PRO 51 1HG PRO 51 -3.887 -12.552 8.782 342 HG3 PRO 51 2HG PRO 51 -5.622 -12.334 9.074 343 HD2 PRO 51 1HD PRO 51 -3.982 -10.275 8.439 344 HD3 PRO 51 2HD PRO 51 -5.397 -10.079 9.493 345 H SER 52 H SER 52 -1.519 -10.825 9.814 346 HA SER 52 HA SER 52 0.557 -12.324 11.161 347 HB2 SER 52 1HB SER 52 1.167 -13.704 9.269 348 HB3 SER 52 2HB SER 52 -0.529 -13.998 9.653 349 HG SER 52 HG SER 52 -0.755 -12.153 7.969 350 H GLU 53 H GLU 53 2.646 -11.679 10.583 351 HA GLU 53 HA GLU 53 2.847 -9.017 9.585 352 HB2 GLU 53 1HB GLU 53 4.352 -9.777 11.323 353 HB3 GLU 53 2HB GLU 53 4.969 -11.052 10.282 354 HG2 GLU 53 1HG GLU 53 5.780 -9.251 8.732 355 HG3 GLU 53 2HG GLU 53 5.362 -8.089 9.989 356 H SER 54 H SER 54 3.050 -8.364 7.555 357 HA SER 54 HA SER 54 3.642 -10.347 5.485 358 HB2 SER 54 1HB SER 54 2.613 -7.516 5.178 359 HB3 SER 54 2HB SER 54 2.712 -8.738 3.911 360 HG SER 54 HG SER 54 1.184 -9.040 6.281 361 H LYS 55 H LYS 55 5.324 -10.161 4.060 362 HA LYS 55 HA LYS 55 7.569 -8.587 4.928 363 HB2 LYS 55 1HB LYS 55 7.093 -10.691 2.871 364 HB3 LYS 55 2HB LYS 55 8.488 -9.639 2.666 365 HG2 LYS 55 1HG LYS 55 9.415 -10.331 4.744 366 HG3 LYS 55 2HG LYS 55 7.936 -11.190 5.184 367 HD2 LYS 55 1HD LYS 55 9.330 -12.902 4.465 368 HD3 LYS 55 2HD LYS 55 8.372 -12.551 3.024 369 HE2 LYS 55 1HE LYS 55 10.664 -12.770 2.368 370 HE3 LYS 55 2HE LYS 55 10.215 -11.070 2.242 371 HZ1 LYS 55 1HZ LYS 55 11.577 -12.188 4.623 372 HZ2 LYS 55 2HZ LYS 55 11.387 -10.561 4.202 373 HZ3 LYS 55 3HZ LYS 55 12.424 -11.551 3.304 374 H ILE 56 H ILE 56 7.216 -6.437 4.579 375 HA ILE 56 HA ILE 56 6.323 -5.527 1.961 376 HB ILE 56 HB ILE 56 6.851 -4.100 4.557 377 HG12 ILE 56 1HG1 ILE 56 4.346 -4.114 2.883 378 HG13 ILE 56 2HG1 ILE 56 4.686 -5.389 4.048 379 HG21 ILE 56 1HG2 ILE 56 5.885 -2.101 3.168 380 HG22 ILE 56 2HG2 ILE 56 7.610 -2.462 3.138 381 HG23 ILE 56 3HG2 ILE 56 6.577 -2.984 1.807 382 HD11 ILE 56 1HD1 ILE 56 3.442 -4.014 5.349 383 HD12 ILE 56 2HD1 ILE 56 5.032 -3.314 5.652 384 HD13 ILE 56 3HD1 ILE 56 3.943 -2.559 4.488 385 H ASN 57 H ASN 57 7.521 -4.173 0.609 386 HA ASN 57 HA ASN 57 10.297 -3.619 1.267 387 HB2 ASN 57 1HB ASN 57 9.464 -5.417 -1.010 388 HB3 ASN 57 2HB ASN 57 11.031 -4.616 -0.954 389 HD21 ASN 57 1HD2 ASN 57 9.357 -7.365 -0.173 390 HD22 ASN 57 2HD2 ASN 57 10.458 -8.041 0.974 391 H CYS 58 H CYS 58 10.443 -1.518 0.857 392 HA CYS 58 HA CYS 58 8.786 -0.238 -1.120 393 HB2 CYS 58 1HB CYS 58 9.893 1.835 -0.376 394 HB3 CYS 58 2HB CYS 58 9.263 0.907 0.979 395 HG CYS 58 HG CYS 58 12.479 1.543 0.135 396 H ARG 59 H ARG 59 9.555 0.989 -2.910 397 HA ARG 59 HA ARG 59 12.260 0.326 -3.835 398 HB2 ARG 59 1HB ARG 59 9.669 -0.267 -5.194 399 HB3 ARG 59 2HB ARG 59 11.048 0.192 -6.184 400 HG2 ARG 59 1HG ARG 59 12.261 -1.696 -5.597 401 HG3 ARG 59 2HG ARG 59 11.293 -1.986 -4.151 402 HD2 ARG 59 1HD ARG 59 10.682 -3.628 -5.766 403 HD3 ARG 59 2HD ARG 59 9.353 -2.476 -5.651 404 HE ARG 59 HE ARG 59 9.697 -1.934 -7.841 405 HH11 ARG 59 1HH1 ARG 59 12.551 -3.505 -6.613 406 HH12 ARG 59 2HH1 ARG 59 13.337 -3.572 -8.156 407 HH21 ARG 59 1HH2 ARG 59 10.721 -2.016 -9.877 408 HH22 ARG 59 2HH2 ARG 59 12.295 -2.724 -10.012 409 H ASP 60 H ASP 60 13.031 1.738 -5.562 410 HA ASP 60 HA ASP 60 11.778 4.401 -5.419 411 HB2 ASP 60 1HB ASP 60 13.960 4.387 -4.354 412 HB3 ASP 60 2HB ASP 60 14.687 3.658 -5.783 413 H ASN 61 H ASN 61 10.913 5.121 -7.240 414 HA ASN 61 HA ASN 61 11.670 3.852 -9.769 415 HB2 ASN 61 1HB ASN 61 9.272 5.506 -8.968 416 HB3 ASN 61 2HB ASN 61 9.586 5.002 -10.627 417 HD21 ASN 61 1HD2 ASN 61 8.147 4.191 -7.721 418 HD22 ASN 61 2HD2 ASN 61 7.811 2.529 -8.051 419 H LYS 62 H LYS 62 12.919 4.875 -11.179 420 HA LYS 62 HA LYS 62 13.655 7.639 -10.714 421 HB2 LYS 62 1HB LYS 62 15.234 5.704 -11.384 422 HB3 LYS 62 2HB LYS 62 14.611 5.948 -13.010 423 HG2 LYS 62 1HG LYS 62 16.557 7.210 -12.966 424 HG3 LYS 62 2HG LYS 62 15.284 8.401 -12.689 425 HD2 LYS 62 1HD LYS 62 16.853 8.959 -11.076 426 HD3 LYS 62 2HD LYS 62 15.734 7.930 -10.179 427 HE2 LYS 62 1HE LYS 62 17.783 7.071 -9.553 428 HE3 LYS 62 2HE LYS 62 17.338 6.014 -10.892 429 HZ1 LYS 62 1HZ LYS 62 19.218 8.309 -10.980 430 HZ2 LYS 62 2HZ LYS 62 18.695 7.464 -12.348 431 HZ3 LYS 62 3HZ LYS 62 19.600 6.670 -11.160 432 H ASP 63 H ASP 63 10.941 7.124 -11.558 433 HA ASP 63 HA ASP 63 10.963 8.512 -14.158 434 HB2 ASP 63 1HB ASP 63 9.236 6.303 -13.127 435 HB3 ASP 63 2HB ASP 63 8.526 7.481 -14.228 436 H GLY 64 H GLY 64 9.026 8.028 -11.203 437 HA2 GLY 64 1HA GLY 64 8.759 10.499 -10.247 438 HA3 GLY 64 2HA GLY 64 7.686 10.578 -11.637 439 H SER 65 H SER 65 8.318 8.095 -9.158 440 HA SER 65 HA SER 65 5.829 8.420 -7.856 441 HB2 SER 65 1HB SER 65 4.839 6.208 -8.599 442 HB3 SER 65 2HB SER 65 4.803 7.493 -9.806 443 HG SER 65 HG SER 65 6.097 5.091 -9.854 444 H CYS 66 H CYS 66 5.323 6.171 -6.642 445 HA CYS 66 HA CYS 66 7.901 5.137 -5.662 446 HB2 CYS 66 1HB CYS 66 6.621 6.819 -4.153 447 HB3 CYS 66 2HB CYS 66 5.524 5.477 -3.856 448 HG CYS 66 HG CYS 66 7.697 3.809 -2.947 449 H SER 67 H SER 67 7.995 2.976 -5.129 450 HA SER 67 HA SER 67 5.624 1.386 -5.863 451 HB2 SER 67 1HB SER 67 8.521 1.052 -6.474 452 HB3 SER 67 2HB SER 67 7.574 -0.410 -6.198 453 HG SER 67 HG SER 67 6.488 -0.066 -7.995 454 H ALA 68 H ALA 68 4.908 -0.150 -4.484 455 HA ALA 68 HA ALA 68 6.550 -0.860 -2.166 456 HB1 ALA 68 1HB ALA 68 3.808 -0.507 -1.349 457 HB2 ALA 68 2HB ALA 68 5.283 0.174 -0.661 458 HB3 ALA 68 3HB ALA 68 4.473 0.993 -1.996 459 H GLU 69 H GLU 69 6.623 -2.996 -2.020 460 HA GLU 69 HA GLU 69 4.306 -4.550 -2.970 461 HB2 GLU 69 1HB GLU 69 5.864 -6.352 -3.529 462 HB3 GLU 69 2HB GLU 69 6.278 -4.872 -4.383 463 HG2 GLU 69 1HG GLU 69 8.145 -4.477 -3.026 464 HG3 GLU 69 2HG GLU 69 7.612 -5.638 -1.811 465 H TYR 70 H TYR 70 3.575 -6.257 -1.736 466 HA TYR 70 HA TYR 70 4.922 -6.820 0.796 467 HB2 TYR 70 1HB TYR 70 2.937 -6.497 2.114 468 HB3 TYR 70 2HB TYR 70 3.227 -5.022 1.198 469 HD1 TYR 70 1HD TYR 70 1.746 -4.383 -0.634 470 HD2 TYR 70 2HD TYR 70 1.015 -7.894 1.655 471 HE1 TYR 70 1HE TYR 70 -0.539 -4.488 -1.537 472 HE2 TYR 70 2HE TYR 70 -1.272 -8.010 0.758 473 HH TYR 70 HH TYR 70 -2.837 -5.582 -0.604 474 H ILE 71 H ILE 71 4.236 -8.799 1.799 475 HA ILE 71 HA ILE 71 2.532 -10.563 0.223 476 HB ILE 71 HB ILE 71 5.389 -11.268 0.903 477 HG12 ILE 71 1HG1 ILE 71 4.055 -11.064 -1.802 478 HG13 ILE 71 2HG1 ILE 71 5.025 -9.779 -1.092 479 HG21 ILE 71 1HG2 ILE 71 3.041 -12.900 0.306 480 HG22 ILE 71 2HG2 ILE 71 4.433 -13.251 -0.718 481 HG23 ILE 71 3HG2 ILE 71 4.582 -13.351 1.036 482 HD11 ILE 71 1HD1 ILE 71 5.895 -11.924 -2.663 483 HD12 ILE 71 2HD1 ILE 71 6.880 -10.717 -1.835 484 HD13 ILE 71 3HD1 ILE 71 6.486 -12.236 -1.031 485 HA PRO 72 HA PRO 72 1.548 -11.259 4.572 486 HB2 PRO 72 1HB PRO 72 -0.845 -12.437 4.064 487 HB3 PRO 72 2HB PRO 72 -0.618 -10.685 4.061 488 HG2 PRO 72 1HG PRO 72 -0.715 -12.586 1.750 489 HG3 PRO 72 2HG PRO 72 -1.465 -10.988 1.916 490 HD2 PRO 72 1HD PRO 72 0.832 -11.384 0.538 491 HD3 PRO 72 2HD PRO 72 0.494 -9.879 1.416 492 H PHE 73 H PHE 73 0.793 -13.266 5.753 493 HA PHE 73 HA PHE 73 1.861 -15.686 4.455 494 HB2 PHE 73 1HB PHE 73 2.234 -14.723 7.291 495 HB3 PHE 73 2HB PHE 73 2.563 -16.380 6.797 496 HD1 PHE 73 1HD PHE 73 3.340 -12.954 5.526 497 HD2 PHE 73 2HD PHE 73 4.770 -16.856 6.446 498 HE1 PHE 73 1HE PHE 73 5.601 -12.288 4.820 499 HE2 PHE 73 2HE PHE 73 7.033 -16.196 5.742 500 HZ PHE 73 HZ PHE 73 7.451 -13.909 4.928 501 H ALA 74 H ALA 74 -0.760 -14.210 5.964 502 HA ALA 74 HA ALA 74 -2.176 -16.768 6.077 503 HB1 ALA 74 1HB ALA 74 -3.063 -15.145 8.266 504 HB2 ALA 74 2HB ALA 74 -2.430 -16.792 8.281 505 HB3 ALA 74 3HB ALA 74 -1.325 -15.421 8.390 506 HA PRO 75 HA PRO 75 -5.299 -14.456 4.005 507 HB2 PRO 75 1HB PRO 75 -7.424 -16.069 4.505 508 HB3 PRO 75 2HB PRO 75 -6.153 -16.485 3.350 509 HG2 PRO 75 1HG PRO 75 -6.514 -17.394 6.179 510 HG3 PRO 75 2HG PRO 75 -6.051 -18.338 4.751 511 HD2 PRO 75 1HD PRO 75 -4.245 -17.471 6.572 512 HD3 PRO 75 2HD PRO 75 -3.855 -17.645 4.849 513 H GLY 76 H GLY 76 -6.854 -12.936 4.436 514 HA2 GLY 76 1HA GLY 76 -8.726 -12.705 6.339 515 HA3 GLY 76 2HA GLY 76 -7.273 -12.296 7.239 516 H ASP 77 H ASP 77 -8.709 -10.290 7.435 517 HA ASP 77 HA ASP 77 -8.582 -8.540 5.110 518 HB2 ASP 77 1HB ASP 77 -9.573 -7.589 7.759 519 HB3 ASP 77 2HB ASP 77 -10.165 -7.222 6.142 520 H TYR 78 H TYR 78 -6.890 -7.280 4.756 521 HA TYR 78 HA TYR 78 -5.187 -6.530 7.037 522 HB2 TYR 78 1HB TYR 78 -4.561 -6.927 4.114 523 HB3 TYR 78 2HB TYR 78 -3.458 -6.098 5.206 524 HD1 TYR 78 1HD TYR 78 -5.431 -9.277 5.107 525 HD2 TYR 78 2HD TYR 78 -1.770 -7.363 6.128 526 HE1 TYR 78 1HE TYR 78 -4.497 -11.445 5.799 527 HE2 TYR 78 2HE TYR 78 -0.826 -9.526 6.822 528 HH TYR 78 HH TYR 78 -1.444 -12.125 6.086 529 H ASP 79 H ASP 79 -4.177 -4.402 6.954 530 HA ASP 79 HA ASP 79 -5.756 -2.423 5.452 531 HB2 ASP 79 1HB ASP 79 -5.209 -2.577 8.376 532 HB3 ASP 79 2HB ASP 79 -5.209 -0.982 7.628 533 H VAL 80 H VAL 80 -4.433 -1.467 4.062 534 HA VAL 80 HA VAL 80 -1.589 -1.351 4.500 535 HB VAL 80 HB VAL 80 -3.224 -0.098 2.289 536 HG11 VAL 80 1HG1 VAL 80 -0.518 -0.838 1.625 537 HG12 VAL 80 2HG1 VAL 80 -1.329 0.721 1.462 538 HG13 VAL 80 3HG1 VAL 80 -0.550 0.285 2.984 539 HG21 VAL 80 1HG2 VAL 80 -2.367 -2.849 2.794 540 HG22 VAL 80 2HG2 VAL 80 -3.609 -2.229 1.705 541 HG23 VAL 80 3HG2 VAL 80 -1.919 -2.239 1.201 542 H ASN 81 H ASN 81 -0.927 0.052 6.022 543 HA ASN 81 HA ASN 81 -2.169 2.664 6.275 544 HB2 ASN 81 1HB ASN 81 0.053 1.317 7.823 545 HB3 ASN 81 2HB ASN 81 -0.553 2.932 8.177 546 HD21 ASN 81 1HD2 ASN 81 -1.404 -0.466 8.037 547 HD22 ASN 81 2HD2 ASN 81 -2.727 -0.373 9.145 548 H ILE 82 H ILE 82 -1.570 4.195 4.891 549 HA ILE 82 HA ILE 82 1.285 4.401 4.185 550 HB ILE 82 HB ILE 82 -1.083 5.299 2.539 551 HG12 ILE 82 1HG1 ILE 82 0.879 3.104 1.885 552 HG13 ILE 82 2HG1 ILE 82 -0.630 2.791 2.736 553 HG21 ILE 82 1HG2 ILE 82 0.471 6.739 1.764 554 HG22 ILE 82 2HG2 ILE 82 1.820 5.768 2.351 555 HG23 ILE 82 3HG2 ILE 82 1.007 5.331 0.848 556 HD11 ILE 82 1HD1 ILE 82 -1.607 2.578 0.766 557 HD12 ILE 82 2HD1 ILE 82 -1.331 4.299 0.494 558 HD13 ILE 82 3HD1 ILE 82 -0.150 3.116 -0.069 559 H THR 83 H THR 83 2.308 6.185 4.805 560 HA THR 83 HA THR 83 0.773 8.643 5.257 561 HB THR 83 HB THR 83 2.182 9.057 7.324 562 HG1 THR 83 1HG THR 83 2.476 6.263 7.500 563 HG21 THR 83 1HG2 THR 83 0.786 7.191 8.627 564 HG22 THR 83 2HG2 THR 83 -0.037 7.103 7.070 565 HG23 THR 83 3HG2 THR 83 0.031 8.632 7.947 566 H TYR 84 H TYR 84 1.844 10.517 4.779 567 HA TYR 84 HA TYR 84 4.528 10.197 3.616 568 HB2 TYR 84 1HB TYR 84 2.527 10.993 2.192 569 HB3 TYR 84 2HB TYR 84 2.687 12.513 3.066 570 HD1 TYR 84 1HD TYR 84 4.934 10.092 1.302 571 HD2 TYR 84 2HD TYR 84 3.889 14.157 1.998 572 HE1 TYR 84 1HE TYR 84 6.683 10.805 -0.273 573 HE2 TYR 84 2HE TYR 84 5.635 14.881 0.425 574 HH TYR 84 HH TYR 84 7.030 14.162 -1.237 575 H GLY 85 H GLY 85 6.008 10.744 5.098 576 HA2 GLY 85 1HA GLY 85 7.285 12.210 6.355 577 HA3 GLY 85 2HA GLY 85 6.080 13.456 6.060 578 H GLY 86 H GLY 86 3.977 13.149 7.278 579 HA2 GLY 86 1HA GLY 86 4.151 11.650 9.747 580 HA3 GLY 86 2HA GLY 86 4.263 13.392 9.952 581 H ALA 87 H ALA 87 2.342 12.169 7.357 582 HA ALA 87 HA ALA 87 -0.112 12.482 8.936 583 HB1 ALA 87 1HB ALA 87 0.453 13.856 6.313 584 HB2 ALA 87 2HB ALA 87 -1.126 13.793 7.098 585 HB3 ALA 87 3HB ALA 87 0.217 14.623 7.884 586 H HIS 88 H HIS 88 -2.022 11.569 7.884 587 HA HIS 88 HA HIS 88 -1.308 9.176 6.365 588 HB2 HIS 88 1HB HIS 88 -3.611 9.956 8.103 589 HB3 HIS 88 2HB HIS 88 -3.858 8.716 6.877 590 HD1 HIS 88 1HD HIS 88 -3.034 6.403 7.402 591 HD2 HIS 88 2HD HIS 88 -1.631 9.249 10.085 592 HE1 HIS 88 1HE HIS 88 -1.909 5.101 9.236 593 HE2 HIS 88 2HE HIS 88 -1.142 6.840 10.889 594 H ILE 89 H ILE 89 -1.919 8.822 4.309 595 HA ILE 89 HA ILE 89 -2.947 11.009 2.777 596 HB ILE 89 HB ILE 89 -2.714 9.577 0.848 597 HG12 ILE 89 1HG1 ILE 89 -1.938 7.288 2.644 598 HG13 ILE 89 2HG1 ILE 89 -3.608 7.532 2.142 599 HG21 ILE 89 1HG2 ILE 89 -0.659 10.333 2.519 600 HG22 ILE 89 2HG2 ILE 89 -0.304 8.641 2.177 601 HG23 ILE 89 3HG2 ILE 89 -0.493 9.787 0.851 602 HD11 ILE 89 1HD1 ILE 89 -1.257 7.104 0.314 603 HD12 ILE 89 2HD1 ILE 89 -2.495 5.916 0.723 604 HD13 ILE 89 3HD1 ILE 89 -2.926 7.359 -0.195 605 HA PRO 90 HA PRO 90 -7.253 10.139 2.824 606 HB2 PRO 90 1HB PRO 90 -7.966 11.038 0.363 607 HB3 PRO 90 2HB PRO 90 -7.531 12.119 1.692 608 HG2 PRO 90 1HG PRO 90 -5.866 11.187 -0.614 609 HG3 PRO 90 2HG PRO 90 -5.996 12.810 0.088 610 HD2 PRO 90 1HD PRO 90 -3.933 11.145 0.640 611 HD3 PRO 90 2HD PRO 90 -4.561 12.312 1.822 612 H GLY 91 H GLY 91 -7.107 7.826 2.872 613 HA2 GLY 91 1HA GLY 91 -8.562 6.394 1.129 614 HA3 GLY 91 2HA GLY 91 -6.984 6.387 0.355 615 H SER 92 H SER 92 -5.849 6.493 3.221 616 HA SER 92 HA SER 92 -5.941 3.585 3.615 617 HB2 SER 92 1HB SER 92 -3.700 4.014 3.435 618 HB3 SER 92 2HB SER 92 -3.862 5.670 4.020 619 HG SER 92 HG SER 92 -3.637 4.999 6.027 620 HA PRO 93 HA PRO 93 -4.900 2.317 5.326 621 HB2 PRO 93 1HB PRO 93 -6.303 0.338 6.545 622 HB3 PRO 93 2HB PRO 93 -5.101 1.323 7.388 623 HG2 PRO 93 1HG PRO 93 -8.083 1.581 7.367 624 HG3 PRO 93 2HG PRO 93 -6.959 1.713 8.731 625 HD2 PRO 93 1HD PRO 93 -8.008 3.880 7.493 626 HD3 PRO 93 2HD PRO 93 -6.384 3.883 8.210 627 H PHE 94 H PHE 94 -5.166 0.804 3.703 628 HA PHE 94 HA PHE 94 -7.744 0.911 2.311 629 HB2 PHE 94 1HB PHE 94 -4.998 0.087 1.348 630 HB3 PHE 94 2HB PHE 94 -6.456 0.030 0.362 631 HD1 PHE 94 2HD PHE 94 -4.177 2.297 2.185 632 HD2 PHE 94 1HD PHE 94 -7.270 1.950 -0.719 633 HE1 PHE 94 2HE PHE 94 -3.818 4.640 1.528 634 HE2 PHE 94 1HE PHE 94 -6.914 4.293 -1.381 635 HZ PHE 94 HZ PHE 94 -5.188 5.642 -0.257 636 H ARG 95 H ARG 95 -9.025 -0.660 3.115 637 HA ARG 95 HA ARG 95 -8.150 -3.162 4.059 638 HB2 ARG 95 1HB ARG 95 -10.438 -1.865 4.329 639 HB3 ARG 95 2HB ARG 95 -10.900 -2.840 2.941 640 HG2 ARG 95 1HG ARG 95 -9.856 -3.929 5.546 641 HG3 ARG 95 2HG ARG 95 -11.557 -3.851 5.080 642 HD2 ARG 95 1HD ARG 95 -9.357 -5.480 3.834 643 HD3 ARG 95 2HD ARG 95 -10.830 -6.056 4.613 644 HE ARG 95 HE ARG 95 -10.537 -5.197 1.897 645 HH11 ARG 95 1HH1 ARG 95 -12.770 -5.493 4.551 646 HH12 ARG 95 2HH1 ARG 95 -14.171 -5.559 3.535 647 HH21 ARG 95 1HH2 ARG 95 -12.374 -5.284 0.549 648 HH22 ARG 95 2HH2 ARG 95 -13.945 -5.441 1.259 649 H VAL 96 H VAL 96 -7.632 -4.995 3.050 650 HA VAL 96 HA VAL 96 -8.523 -5.411 0.285 651 HB VAL 96 HB VAL 96 -5.679 -5.880 1.186 652 HG11 VAL 96 1HG1 VAL 96 -5.418 -6.033 -1.381 653 HG12 VAL 96 2HG1 VAL 96 -6.086 -7.414 -0.510 654 HG13 VAL 96 3HG1 VAL 96 -7.158 -6.316 -1.381 655 HG21 VAL 96 1HG2 VAL 96 -5.839 -3.556 1.066 656 HG22 VAL 96 2HG2 VAL 96 -5.244 -4.015 -0.529 657 HG23 VAL 96 3HG2 VAL 96 -6.945 -3.608 -0.307 658 HA PRO 97 HA PRO 97 -9.533 -9.337 2.124 659 HB2 PRO 97 1HB PRO 97 -10.538 -10.457 -0.136 660 HB3 PRO 97 2HB PRO 97 -11.431 -9.276 0.830 661 HG2 PRO 97 1HG PRO 97 -9.861 -8.865 -1.685 662 HG3 PRO 97 2HG PRO 97 -11.443 -8.203 -1.233 663 HD2 PRO 97 1HD PRO 97 -9.154 -6.768 -1.047 664 HD3 PRO 97 2HD PRO 97 -10.515 -6.545 0.072 665 H VAL 98 H VAL 98 -7.719 -10.471 2.592 666 HA VAL 98 HA VAL 98 -5.986 -11.403 0.438 667 HB VAL 98 HB VAL 98 -5.682 -11.669 3.432 668 HG11 VAL 98 1HG1 VAL 98 -4.548 -13.307 1.636 669 HG12 VAL 98 2HG1 VAL 98 -3.370 -11.993 1.624 670 HG13 VAL 98 3HG1 VAL 98 -3.758 -12.819 3.134 671 HG21 VAL 98 1HG2 VAL 98 -3.714 -10.044 2.805 672 HG22 VAL 98 2HG2 VAL 98 -4.760 -9.654 1.440 673 HG23 VAL 98 3HG2 VAL 98 -5.341 -9.426 3.089 674 H LYS 99 H LYS 99 -6.940 -13.097 -0.573 675 HA LYS 99 HA LYS 99 -8.161 -15.230 0.985 676 HB2 LYS 99 1HB LYS 99 -7.816 -15.104 -2.011 677 HB3 LYS 99 2HB LYS 99 -8.938 -16.108 -1.103 678 HG2 LYS 99 1HG LYS 99 -10.348 -14.329 -0.628 679 HG3 LYS 99 2HG LYS 99 -9.096 -13.126 -0.944 680 HD2 LYS 99 1HD LYS 99 -9.331 -13.293 -3.238 681 HD3 LYS 99 2HD LYS 99 -10.018 -14.917 -3.152 682 HE2 LYS 99 1HE LYS 99 -11.751 -13.372 -3.770 683 HE3 LYS 99 2HE LYS 99 -12.058 -13.944 -2.131 684 HZ1 LYS 99 1HZ LYS 99 -12.188 -11.410 -2.741 685 HZ2 LYS 99 2HZ LYS 99 -10.521 -11.475 -2.462 686 HZ3 LYS 99 3HZ LYS 99 -11.601 -11.918 -1.238 687 H ASP 100 H ASP 100 -7.599 -17.503 0.489 688 HA ASP 100 HA ASP 100 -4.684 -17.782 0.229 689 HB2 ASP 100 1HB ASP 100 -5.353 -20.148 1.238 690 HB3 ASP 100 2HB ASP 100 -5.130 -18.735 2.267 691 H VAL 101 H VAL 101 -3.849 -18.807 -1.468 692 HA VAL 101 HA VAL 101 -5.173 -19.468 -3.751 693 HB VAL 101 HB VAL 101 -2.701 -20.844 -2.688 694 HG11 VAL 101 1HG1 VAL 101 -3.989 -21.940 -4.618 695 HG12 VAL 101 2HG1 VAL 101 -3.449 -20.562 -5.579 696 HG13 VAL 101 3HG1 VAL 101 -2.265 -21.640 -4.839 697 HG21 VAL 101 1HG2 VAL 101 -1.544 -19.205 -4.197 698 HG22 VAL 101 2HG2 VAL 101 -3.089 -18.371 -4.365 699 HG23 VAL 101 3HG2 VAL 101 -2.321 -18.494 -2.782 700 H VAL 102 H VAL 102 -4.133 -21.864 -1.316 701 HA VAL 102 HA VAL 102 -6.516 -23.450 -1.936 702 HB VAL 102 HB VAL 102 -4.979 -25.524 -1.754 703 HG11 VAL 102 1HG1 VAL 102 -4.284 -24.900 -4.319 704 HG12 VAL 102 2HG1 VAL 102 -5.855 -25.527 -3.817 705 HG13 VAL 102 3HG1 VAL 102 -5.622 -23.791 -4.023 706 HG21 VAL 102 1HG2 VAL 102 -3.046 -23.536 -1.479 707 HG22 VAL 102 2HG2 VAL 102 -2.768 -25.259 -1.733 708 HG23 VAL 102 3HG2 VAL 102 -2.826 -24.163 -3.113 709 H ASP 103 H ASP 103 -6.541 -25.432 -0.358 710 HA ASP 103 HA ASP 103 -5.348 -24.914 2.222 711 HB2 ASP 103 1HB ASP 103 -7.273 -24.445 3.448 712 HB3 ASP 103 2HB ASP 103 -7.521 -23.508 1.977 713 HA PRO 104 HA PRO 104 -5.541 -29.309 2.344 714 HB2 PRO 104 1HB PRO 104 -5.159 -29.678 5.007 715 HB3 PRO 104 2HB PRO 104 -3.863 -29.187 3.909 716 HG2 PRO 104 1HG PRO 104 -5.523 -27.510 5.751 717 HG3 PRO 104 2HG PRO 104 -3.778 -27.442 5.444 718 HD2 PRO 104 1HD PRO 104 -5.526 -25.712 4.309 719 HD3 PRO 104 2HD PRO 104 -4.041 -26.242 3.493 720 H SER 105 H SER 105 -6.999 -30.927 2.721 721 HA SER 105 HA SER 105 -9.269 -30.382 4.493 722 HB2 SER 105 1HB SER 105 -10.816 -31.288 2.732 723 HB3 SER 105 2HB SER 105 -10.095 -29.731 2.325 724 HG SER 105 HG SER 105 -9.665 -32.245 1.205 Start of MODEL 3 1 H1 GLY 1 H GLY 1 15.392 32.429 -0.443 2 HA2 GLY 1 1HA GLY 1 17.233 30.738 0.689 3 HA3 GLY 1 2HA GLY 1 15.542 30.317 0.458 4 H SER 2 H SER 2 17.476 28.371 0.413 5 HA SER 2 HA SER 2 18.743 27.655 -1.872 6 HB2 SER 2 1HB SER 2 17.167 25.961 0.060 7 HB3 SER 2 2HB SER 2 18.063 25.247 -1.281 8 HG SER 2 HG SER 2 19.527 25.267 0.302 9 H SER 3 H SER 3 18.211 26.370 -3.714 10 HA SER 3 HA SER 3 15.573 27.008 -4.769 11 HB2 SER 3 1HB SER 3 17.702 27.405 -6.078 12 HB3 SER 3 2HB SER 3 17.856 25.653 -6.215 13 HG SER 3 HG SER 3 16.133 27.387 -7.495 14 H GLY 4 H GLY 4 14.054 25.524 -5.403 15 HA2 GLY 4 1HA GLY 4 13.947 23.003 -6.030 16 HA3 GLY 4 2HA GLY 4 14.455 22.808 -4.359 17 H SER 5 H SER 5 12.271 21.540 -4.743 18 HA SER 5 HA SER 5 9.902 23.164 -4.538 19 HB2 SER 5 1HB SER 5 10.269 20.180 -4.172 20 HB3 SER 5 2HB SER 5 8.720 21.013 -4.296 21 HG SER 5 HG SER 5 9.209 21.565 -6.401 22 H SER 6 H SER 6 10.255 24.404 -2.672 23 HA SER 6 HA SER 6 10.339 22.924 -0.134 24 HB2 SER 6 1HB SER 6 10.835 25.874 -0.589 25 HB3 SER 6 2HB SER 6 11.118 24.972 0.899 26 HG SER 6 HG SER 6 12.653 23.710 -0.343 27 H GLY 7 H GLY 7 8.572 22.807 1.087 28 HA2 GLY 7 1HA GLY 7 6.746 24.880 1.535 29 HA3 GLY 7 2HA GLY 7 6.094 23.863 0.259 30 H GLY 8 H GLY 8 4.367 23.617 1.936 31 HA2 GLY 8 1HA GLY 8 5.058 21.853 4.153 32 HA3 GLY 8 2HA GLY 8 3.490 22.589 3.857 33 H CYS 9 H CYS 9 5.247 19.751 3.736 34 HA CYS 9 HA CYS 9 4.575 18.266 1.624 35 HB2 CYS 9 1HB CYS 9 4.311 16.313 3.119 36 HB3 CYS 9 2HB CYS 9 5.694 17.307 3.557 37 HG CYS 9 HG CYS 9 2.672 17.383 5.162 38 H GLN 10 H GLN 10 2.822 17.426 0.632 39 HA GLN 10 HA GLN 10 0.197 18.040 1.821 40 HB2 GLN 10 1HB GLN 10 1.131 18.019 -1.038 41 HB3 GLN 10 2HB GLN 10 -0.575 17.898 -0.633 42 HG2 GLN 10 1HG GLN 10 -0.146 20.034 0.761 43 HG3 GLN 10 2HG GLN 10 1.301 20.184 -0.234 44 HE21 GLN 10 1HE2 GLN 10 -1.727 21.247 0.043 45 HE22 GLN 10 2HE2 GLN 10 -2.111 21.558 -1.612 46 HA PRO 11 HA PRO 11 0.307 13.478 1.822 47 HB2 PRO 11 1HB PRO 11 -1.439 13.235 3.887 48 HB3 PRO 11 2HB PRO 11 0.289 13.525 4.119 49 HG2 PRO 11 1HG PRO 11 -1.984 15.471 4.193 50 HG3 PRO 11 2HG PRO 11 -0.586 15.343 5.275 51 HD2 PRO 11 1HD PRO 11 -0.720 17.168 3.280 52 HD3 PRO 11 2HD PRO 11 0.811 16.441 3.807 53 H SER 12 H SER 12 -1.955 15.793 0.999 54 HA SER 12 HA SER 12 -4.131 13.891 0.566 55 HB2 SER 12 1HB SER 12 -4.133 16.843 -0.079 56 HB3 SER 12 2HB SER 12 -5.526 15.780 0.122 57 HG SER 12 HG SER 12 -3.750 16.753 2.093 58 H ARG 13 H ARG 13 -1.607 15.513 -1.130 59 HA ARG 13 HA ARG 13 -2.758 15.262 -3.746 60 HB2 ARG 13 1HB ARG 13 0.112 15.749 -2.925 61 HB3 ARG 13 2HB ARG 13 -0.537 15.936 -4.549 62 HG2 ARG 13 1HG ARG 13 -1.750 17.473 -2.302 63 HG3 ARG 13 2HG ARG 13 -0.223 18.008 -3.005 64 HD2 ARG 13 1HD ARG 13 -1.174 18.472 -5.053 65 HD3 ARG 13 2HD ARG 13 -2.509 17.346 -4.804 66 HE ARG 13 HE ARG 13 -2.471 20.105 -4.143 67 HH11 ARG 13 1HH1 ARG 13 -3.666 17.020 -3.059 68 HH12 ARG 13 2HH1 ARG 13 -5.028 17.693 -2.226 69 HH21 ARG 13 1HH2 ARG 13 -4.261 21.003 -3.049 70 HH22 ARG 13 2HH2 ARG 13 -5.366 19.958 -2.222 71 H VAL 14 H VAL 14 -1.441 13.065 -1.606 72 HA VAL 14 HA VAL 14 -0.075 11.374 -3.483 73 HB VAL 14 HB VAL 14 -1.102 10.588 -0.757 74 HG11 VAL 14 1HG1 VAL 14 1.416 9.457 -1.487 75 HG12 VAL 14 2HG1 VAL 14 -0.113 8.641 -1.154 76 HG13 VAL 14 3HG1 VAL 14 0.260 9.183 -2.790 77 HG21 VAL 14 1HG2 VAL 14 0.878 11.395 0.231 78 HG22 VAL 14 2HG2 VAL 14 1.639 11.684 -1.334 79 HG23 VAL 14 3HG2 VAL 14 0.305 12.706 -0.800 80 H GLN 15 H GLN 15 -0.790 9.508 -4.446 81 HA GLN 15 HA GLN 15 -3.596 8.751 -4.043 82 HB2 GLN 15 1HB GLN 15 -2.358 8.927 -6.786 83 HB3 GLN 15 2HB GLN 15 -4.049 8.668 -6.379 84 HG2 GLN 15 1HG GLN 15 -4.326 10.904 -5.681 85 HG3 GLN 15 2HG GLN 15 -2.587 11.195 -5.683 86 HE21 GLN 15 1HE2 GLN 15 -4.645 9.633 -8.096 87 HE22 GLN 15 2HE2 GLN 15 -4.282 10.734 -9.377 88 H ALA 16 H ALA 16 -3.903 6.619 -3.872 89 HA ALA 16 HA ALA 16 -1.703 4.840 -4.702 90 HB1 ALA 16 1HB ALA 16 -3.588 4.258 -2.434 91 HB2 ALA 16 2HB ALA 16 -2.051 3.478 -2.813 92 HB3 ALA 16 3HB ALA 16 -2.074 5.134 -2.207 93 H GLN 17 H GLN 17 -2.240 3.541 -6.319 94 HA GLN 17 HA GLN 17 -4.877 2.301 -6.365 95 HB2 GLN 17 1HB GLN 17 -5.267 2.864 -8.701 96 HB3 GLN 17 2HB GLN 17 -5.109 4.328 -7.739 97 HG2 GLN 17 1HG GLN 17 -3.810 4.910 -9.499 98 HG3 GLN 17 2HG GLN 17 -2.588 4.124 -8.501 99 HE21 GLN 17 1HE2 GLN 17 -5.052 3.210 -10.890 100 HE22 GLN 17 2HE2 GLN 17 -4.036 2.130 -11.776 101 H GLY 18 H GLY 18 -4.894 0.268 -7.230 102 HA2 GLY 18 1HA GLY 18 -3.404 -0.956 -9.088 103 HA3 GLY 18 2HA GLY 18 -2.289 -0.917 -7.730 104 HA PRO 19 HA PRO 19 -4.957 -4.759 -7.531 105 HB2 PRO 19 1HB PRO 19 -2.895 -6.524 -7.487 106 HB3 PRO 19 2HB PRO 19 -3.630 -5.943 -8.986 107 HG2 PRO 19 1HG PRO 19 -1.116 -5.039 -7.635 108 HG3 PRO 19 2HG PRO 19 -1.417 -5.333 -9.358 109 HD2 PRO 19 1HD PRO 19 -1.411 -2.848 -8.284 110 HD3 PRO 19 2HD PRO 19 -2.446 -3.292 -9.655 111 H GLY 20 H GLY 20 -1.869 -4.019 -5.924 112 HA2 GLY 20 1HA GLY 20 -2.205 -5.614 -3.657 113 HA3 GLY 20 2HA GLY 20 -1.238 -4.148 -3.722 114 H LEU 21 H LEU 21 -3.980 -2.882 -4.592 115 HA LEU 21 HA LEU 21 -4.855 -2.390 -1.828 116 HB2 LEU 21 1HB LEU 21 -5.238 -0.685 -4.284 117 HB3 LEU 21 2HB LEU 21 -5.749 -0.272 -2.649 118 HG LEU 21 HG LEU 21 -2.870 -0.681 -3.445 119 HD11 LEU 21 1HD1 LEU 21 -4.056 2.007 -2.950 120 HD12 LEU 21 2HD1 LEU 21 -4.235 1.266 -4.540 121 HD13 LEU 21 3HD1 LEU 21 -2.626 1.557 -3.880 122 HD21 LEU 21 1HD2 LEU 21 -3.386 -0.977 -1.064 123 HD22 LEU 21 2HD2 LEU 21 -4.131 0.621 -1.033 124 HD23 LEU 21 3HD2 LEU 21 -2.403 0.459 -1.351 125 H LYS 22 H LYS 22 -5.913 -3.310 -5.028 126 HA LYS 22 HA LYS 22 -8.714 -3.210 -4.426 127 HB2 LYS 22 1HB LYS 22 -7.635 -3.037 -6.735 128 HB3 LYS 22 2HB LYS 22 -7.427 -4.782 -6.653 129 HG2 LYS 22 1HG LYS 22 -9.692 -5.194 -6.789 130 HG3 LYS 22 2HG LYS 22 -10.125 -3.584 -6.208 131 HD2 LYS 22 1HD LYS 22 -9.279 -2.630 -8.323 132 HD3 LYS 22 2HD LYS 22 -8.942 -4.264 -8.901 133 HE2 LYS 22 1HE LYS 22 -11.036 -3.591 -9.820 134 HE3 LYS 22 2HE LYS 22 -11.364 -4.790 -8.570 135 HZ1 LYS 22 1HZ LYS 22 -12.560 -2.378 -8.763 136 HZ2 LYS 22 2HZ LYS 22 -11.362 -2.077 -7.608 137 HZ3 LYS 22 3HZ LYS 22 -12.489 -3.313 -7.355 138 H GLU 23 H GLU 23 -6.360 -5.850 -4.845 139 HA GLU 23 HA GLU 23 -7.587 -7.416 -2.799 140 HB2 GLU 23 1HB GLU 23 -8.455 -9.218 -4.084 141 HB3 GLU 23 2HB GLU 23 -9.137 -7.747 -4.763 142 HG2 GLU 23 1HG GLU 23 -6.637 -8.824 -5.952 143 HG3 GLU 23 2HG GLU 23 -8.159 -9.647 -6.291 144 H ALA 24 H ALA 24 -6.309 -9.148 -2.155 145 HA ALA 24 HA ALA 24 -3.846 -9.627 -3.680 146 HB1 ALA 24 1HB ALA 24 -2.699 -9.729 -1.361 147 HB2 ALA 24 2HB ALA 24 -2.999 -8.156 -2.103 148 HB3 ALA 24 3HB ALA 24 -4.065 -8.748 -0.829 149 H PHE 25 H PHE 25 -2.587 -11.450 -2.231 150 HA PHE 25 HA PHE 25 -4.497 -13.495 -1.396 151 HB2 PHE 25 1HB PHE 25 -2.753 -13.629 -3.804 152 HB3 PHE 25 2HB PHE 25 -2.920 -15.093 -2.841 153 HD1 PHE 25 2HD PHE 25 -4.849 -12.521 -4.680 154 HD2 PHE 25 1HD PHE 25 -4.815 -16.444 -3.030 155 HE1 PHE 25 2HE PHE 25 -6.988 -13.004 -5.795 156 HE2 PHE 25 1HE PHE 25 -6.954 -16.934 -4.143 157 HZ PHE 25 HZ PHE 25 -8.044 -15.213 -5.526 158 H THR 26 H THR 26 -3.290 -15.470 -0.549 159 HA THR 26 HA THR 26 -1.336 -14.547 1.353 160 HB THR 26 HB THR 26 -1.383 -16.889 2.194 161 HG1 THR 26 1HG THR 26 -3.040 -18.250 1.223 162 HG21 THR 26 1HG2 THR 26 -4.053 -15.546 1.771 163 HG22 THR 26 2HG2 THR 26 -2.948 -15.309 3.125 164 HG23 THR 26 3HG2 THR 26 -3.765 -16.857 2.913 165 H ASN 27 H ASN 27 0.811 -14.728 1.236 166 HA ASN 27 HA ASN 27 2.897 -15.230 0.482 167 HB2 ASN 27 1HB ASN 27 1.530 -17.770 -0.435 168 HB3 ASN 27 2HB ASN 27 3.273 -17.523 -0.407 169 HD21 ASN 27 1HD2 ASN 27 0.508 -17.084 1.778 170 HD22 ASN 27 2HD2 ASN 27 1.273 -17.786 3.159 171 H LYS 28 H LYS 28 1.044 -13.756 -1.207 172 HA LYS 28 HA LYS 28 2.251 -14.349 -3.829 173 HB2 LYS 28 1HB LYS 28 -0.559 -13.524 -3.148 174 HB3 LYS 28 2HB LYS 28 0.118 -13.207 -4.740 175 HG2 LYS 28 1HG LYS 28 0.709 -15.782 -4.600 176 HG3 LYS 28 2HG LYS 28 -0.656 -15.777 -3.481 177 HD2 LYS 28 1HD LYS 28 -2.148 -15.034 -5.125 178 HD3 LYS 28 2HD LYS 28 -0.847 -14.490 -6.186 179 HE2 LYS 28 1HE LYS 28 -1.057 -17.380 -5.465 180 HE3 LYS 28 2HE LYS 28 -2.129 -16.711 -6.694 181 HZ1 LYS 28 1HZ LYS 28 0.147 -17.708 -7.371 182 HZ2 LYS 28 2HZ LYS 28 0.764 -16.216 -6.870 183 HZ3 LYS 28 3HZ LYS 28 -0.389 -16.282 -8.107 184 HA PRO 29 HA PRO 29 3.853 -10.253 -3.733 185 HB2 PRO 29 1HB PRO 29 4.118 -9.808 -6.398 186 HB3 PRO 29 2HB PRO 29 5.186 -10.888 -5.493 187 HG2 PRO 29 1HG PRO 29 2.827 -11.559 -7.209 188 HG3 PRO 29 2HG PRO 29 4.408 -12.357 -7.119 189 HD2 PRO 29 1HD PRO 29 2.209 -13.335 -5.878 190 HD3 PRO 29 2HD PRO 29 3.845 -13.534 -5.219 191 H ASN 30 H ASN 30 2.650 -8.546 -3.193 192 HA ASN 30 HA ASN 30 0.538 -7.678 -5.053 193 HB2 ASN 30 1HB ASN 30 0.316 -7.152 -2.111 194 HB3 ASN 30 2HB ASN 30 -0.957 -7.243 -3.324 195 HD21 ASN 30 1HD2 ASN 30 0.868 -8.932 -1.000 196 HD22 ASN 30 2HD2 ASN 30 0.159 -10.490 -1.235 197 H VAL 31 H VAL 31 1.144 -5.834 -5.961 198 HA VAL 31 HA VAL 31 2.530 -3.836 -4.293 199 HB VAL 31 HB VAL 31 3.794 -3.089 -6.171 200 HG11 VAL 31 1HG1 VAL 31 4.116 -5.969 -6.691 201 HG12 VAL 31 2HG1 VAL 31 5.300 -4.767 -6.172 202 HG13 VAL 31 3HG1 VAL 31 4.198 -5.486 -4.997 203 HG21 VAL 31 1HG2 VAL 31 3.071 -3.262 -8.264 204 HG22 VAL 31 2HG2 VAL 31 3.131 -5.023 -8.177 205 HG23 VAL 31 3HG2 VAL 31 1.673 -4.164 -7.677 206 H PHE 32 H PHE 32 2.302 -1.574 -5.218 207 HA PHE 32 HA PHE 32 -0.145 -1.088 -6.697 208 HB2 PHE 32 1HB PHE 32 -0.883 0.558 -4.858 209 HB3 PHE 32 2HB PHE 32 -1.172 -1.158 -4.588 210 HD1 PHE 32 2HD PHE 32 0.316 -2.426 -3.055 211 HD2 PHE 32 1HD PHE 32 0.529 1.807 -3.440 212 HE1 PHE 32 2HE PHE 32 1.546 -2.298 -0.928 213 HE2 PHE 32 1HE PHE 32 1.760 1.942 -1.314 214 HZ PHE 32 HZ PHE 32 2.269 -0.112 -0.054 215 H THR 33 H THR 33 -0.333 1.069 -7.466 216 HA THR 33 HA THR 33 2.247 2.374 -7.765 217 HB THR 33 HB THR 33 -0.380 3.156 -9.037 218 HG1 THR 33 1HG THR 33 0.130 1.789 -10.681 219 HG21 THR 33 1HG2 THR 33 1.064 4.951 -9.343 220 HG22 THR 33 2HG2 THR 33 1.336 3.993 -10.799 221 HG23 THR 33 3HG2 THR 33 2.486 3.916 -9.463 222 H VAL 34 H VAL 34 2.864 3.968 -6.474 223 HA VAL 34 HA VAL 34 0.797 5.578 -5.127 224 HB VAL 34 HB VAL 34 3.652 5.094 -4.264 225 HG11 VAL 34 1HG1 VAL 34 1.902 6.110 -2.227 226 HG12 VAL 34 2HG1 VAL 34 3.424 6.772 -2.825 227 HG13 VAL 34 3HG1 VAL 34 1.906 7.190 -3.620 228 HG21 VAL 34 1HG2 VAL 34 1.121 3.703 -3.716 229 HG22 VAL 34 2HG2 VAL 34 2.783 3.124 -3.602 230 HG23 VAL 34 3HG2 VAL 34 2.092 4.082 -2.293 231 H VAL 35 H VAL 35 0.506 7.312 -6.425 232 HA VAL 35 HA VAL 35 2.738 8.634 -7.702 233 HB VAL 35 HB VAL 35 -0.162 9.477 -7.584 234 HG11 VAL 35 1HG1 VAL 35 1.191 11.352 -8.150 235 HG12 VAL 35 2HG1 VAL 35 2.157 10.394 -9.274 236 HG13 VAL 35 3HG1 VAL 35 0.471 10.759 -9.646 237 HG21 VAL 35 1HG2 VAL 35 -0.365 7.537 -8.756 238 HG22 VAL 35 2HG2 VAL 35 0.117 8.599 -10.078 239 HG23 VAL 35 3HG2 VAL 35 1.311 7.559 -9.303 240 H THR 36 H THR 36 4.028 9.843 -6.470 241 HA THR 36 HA THR 36 2.786 11.626 -4.477 242 HB THR 36 HB THR 36 4.833 11.569 -3.200 243 HG1 THR 36 1HG THR 36 5.823 9.897 -5.290 244 HG21 THR 36 1HG2 THR 36 3.178 9.330 -3.631 245 HG22 THR 36 2HG2 THR 36 4.150 9.696 -2.206 246 HG23 THR 36 3HG2 THR 36 4.827 8.718 -3.508 247 H ARG 37 H ARG 37 3.135 12.193 -7.309 248 HA ARG 37 HA ARG 37 5.382 13.836 -7.764 249 HB2 ARG 37 1HB ARG 37 2.748 13.417 -9.091 250 HB3 ARG 37 2HB ARG 37 3.655 14.864 -9.510 251 HG2 ARG 37 1HG ARG 37 5.060 12.244 -9.557 252 HG3 ARG 37 2HG ARG 37 3.938 12.634 -10.862 253 HD2 ARG 37 1HD ARG 37 5.164 14.647 -11.374 254 HD3 ARG 37 2HD ARG 37 6.222 14.395 -9.987 255 HE ARG 37 HE ARG 37 6.475 12.136 -11.537 256 HH11 ARG 37 1HH1 ARG 37 6.987 15.554 -11.952 257 HH12 ARG 37 2HH1 ARG 37 8.258 15.356 -13.112 258 HH21 ARG 37 1HH2 ARG 37 8.148 11.861 -13.063 259 HH22 ARG 37 2HH2 ARG 37 8.917 13.255 -13.744 260 H GLY 38 H GLY 38 1.994 14.743 -7.081 261 HA2 GLY 38 1HA GLY 38 2.661 17.498 -6.676 262 HA3 GLY 38 2HA GLY 38 1.110 16.742 -6.344 263 H ALA 39 H ALA 39 2.480 14.704 -4.621 264 HA ALA 39 HA ALA 39 2.014 15.814 -2.137 265 HB1 ALA 39 1HB ALA 39 3.349 13.402 -3.140 266 HB2 ALA 39 2HB ALA 39 3.864 13.921 -1.534 267 HB3 ALA 39 3HB ALA 39 2.160 13.593 -1.851 268 H GLY 40 H GLY 40 5.041 15.681 -3.967 269 HA2 GLY 40 1HA GLY 40 6.705 17.363 -3.835 270 HA3 GLY 40 2HA GLY 40 6.090 17.811 -2.250 271 H ILE 41 H ILE 41 7.422 17.343 -0.646 272 HA ILE 41 HA ILE 41 9.014 14.874 -0.812 273 HB ILE 41 HB ILE 41 10.018 17.526 0.226 274 HG12 ILE 41 1HG1 ILE 41 10.998 15.982 -2.176 275 HG13 ILE 41 2HG1 ILE 41 9.802 17.268 -2.292 276 HG21 ILE 41 1HG2 ILE 41 11.246 16.111 1.496 277 HG22 ILE 41 2HG2 ILE 41 11.023 14.754 0.393 278 HG23 ILE 41 3HG2 ILE 41 12.210 16.004 0.023 279 HD11 ILE 41 1HD1 ILE 41 11.397 18.861 -1.410 280 HD12 ILE 41 2HD1 ILE 41 12.593 17.579 -1.213 281 HD13 ILE 41 3HD1 ILE 41 12.054 18.043 -2.827 282 H GLY 42 H GLY 42 9.319 13.760 1.094 283 HA2 GLY 42 1HA GLY 42 9.040 14.592 3.685 284 HA3 GLY 42 2HA GLY 42 7.394 14.266 3.163 285 H GLY 43 H GLY 43 9.083 12.929 5.193 286 HA2 GLY 43 1HA GLY 43 9.984 10.428 4.281 287 HA3 GLY 43 2HA GLY 43 9.507 10.798 5.931 288 H LEU 44 H LEU 44 8.836 8.910 3.295 289 HA LEU 44 HA LEU 44 5.978 8.676 3.815 290 HB2 LEU 44 1HB LEU 44 6.401 8.604 1.535 291 HB3 LEU 44 2HB LEU 44 7.842 7.609 1.735 292 HG LEU 44 HG LEU 44 6.191 5.764 2.469 293 HD11 LEU 44 1HD1 LEU 44 4.231 7.188 2.699 294 HD12 LEU 44 2HD1 LEU 44 3.969 5.950 1.471 295 HD13 LEU 44 3HD1 LEU 44 4.323 7.609 0.988 296 HD21 LEU 44 1HD2 LEU 44 7.491 6.177 0.214 297 HD22 LEU 44 2HD2 LEU 44 5.862 6.433 -0.411 298 HD23 LEU 44 3HD2 LEU 44 6.282 4.900 0.355 299 H GLY 45 H GLY 45 4.979 6.834 4.604 300 HA2 GLY 45 1HA GLY 45 6.737 4.678 5.567 301 HA3 GLY 45 2HA GLY 45 5.635 5.466 6.686 302 H ILE 46 H ILE 46 5.949 3.214 4.074 303 HA ILE 46 HA ILE 46 3.064 2.696 4.076 304 HB ILE 46 HB ILE 46 5.214 1.599 2.260 305 HG12 ILE 46 1HG1 ILE 46 3.037 3.570 1.569 306 HG13 ILE 46 2HG1 ILE 46 4.637 4.080 2.098 307 HG21 ILE 46 1HG2 ILE 46 2.532 1.417 1.248 308 HG22 ILE 46 2HG2 ILE 46 3.730 0.145 1.478 309 HG23 ILE 46 3HG2 ILE 46 2.659 0.598 2.804 310 HD11 ILE 46 1HD1 ILE 46 4.455 4.125 -0.318 311 HD12 ILE 46 2HD1 ILE 46 5.631 2.916 0.198 312 HD13 ILE 46 3HD1 ILE 46 4.025 2.415 -0.332 313 H THR 47 H THR 47 2.278 1.135 5.310 314 HA THR 47 HA THR 47 3.850 -1.295 5.744 315 HB THR 47 HB THR 47 3.164 -1.291 8.169 316 HG1 THR 47 1HG THR 47 2.809 0.986 8.929 317 HG21 THR 47 1HG2 THR 47 5.435 -0.828 7.735 318 HG22 THR 47 2HG2 THR 47 4.903 0.462 8.815 319 HG23 THR 47 3HG2 THR 47 5.069 0.770 7.086 320 H VAL 48 H VAL 48 2.505 -3.032 6.779 321 HA VAL 48 HA VAL 48 -0.351 -2.751 6.134 322 HB VAL 48 HB VAL 48 1.386 -5.108 5.388 323 HG11 VAL 48 1HG1 VAL 48 -1.397 -4.925 4.432 324 HG12 VAL 48 2HG1 VAL 48 -0.457 -6.331 4.935 325 HG13 VAL 48 3HG1 VAL 48 -1.191 -5.280 6.147 326 HG21 VAL 48 1HG2 VAL 48 1.726 -3.293 3.856 327 HG22 VAL 48 2HG2 VAL 48 0.709 -4.501 3.069 328 HG23 VAL 48 3HG2 VAL 48 -0.012 -3.026 3.714 329 H GLU 49 H GLU 49 -1.736 -3.675 7.554 330 HA GLU 49 HA GLU 49 -0.548 -5.217 9.768 331 HB2 GLU 49 1HB GLU 49 -2.776 -3.185 9.793 332 HB3 GLU 49 2HB GLU 49 -2.491 -4.296 11.125 333 HG2 GLU 49 1HG GLU 49 -0.088 -3.361 11.091 334 HG3 GLU 49 2HG GLU 49 -0.788 -2.040 10.157 335 H GLY 50 H GLY 50 -1.547 -7.074 10.421 336 HA2 GLY 50 1HA GLY 50 -4.203 -7.792 9.747 337 HA3 GLY 50 2HA GLY 50 -3.082 -8.523 8.609 338 HA PRO 51 HA PRO 51 -3.580 -11.355 12.263 339 HB2 PRO 51 1HB PRO 51 -4.049 -13.583 10.784 340 HB3 PRO 51 2HB PRO 51 -5.331 -12.472 11.282 341 HG2 PRO 51 1HG PRO 51 -3.909 -12.666 8.655 342 HG3 PRO 51 2HG PRO 51 -5.637 -12.436 8.977 343 HD2 PRO 51 1HD PRO 51 -3.997 -10.391 8.301 344 HD3 PRO 51 2HD PRO 51 -5.391 -10.180 9.380 345 H SER 52 H SER 52 -1.431 -10.794 9.811 346 HA SER 52 HA SER 52 0.610 -12.393 11.064 347 HB2 SER 52 1HB SER 52 1.155 -13.819 9.272 348 HB3 SER 52 2HB SER 52 -0.604 -13.903 9.362 349 HG SER 52 HG SER 52 -0.313 -11.992 7.760 350 H GLU 53 H GLU 53 2.726 -11.794 10.439 351 HA GLU 53 HA GLU 53 2.930 -9.076 9.552 352 HB2 GLU 53 1HB GLU 53 4.388 -9.943 11.319 353 HB3 GLU 53 2HB GLU 53 5.082 -11.101 10.192 354 HG2 GLU 53 1HG GLU 53 5.952 -9.241 8.845 355 HG3 GLU 53 2HG GLU 53 5.298 -8.104 10.022 356 H SER 54 H SER 54 2.786 -8.563 7.473 357 HA SER 54 HA SER 54 3.552 -10.448 5.411 358 HB2 SER 54 1HB SER 54 2.576 -7.609 5.048 359 HB3 SER 54 2HB SER 54 2.558 -8.911 3.858 360 HG SER 54 HG SER 54 1.193 -9.203 6.301 361 H LYS 55 H LYS 55 5.248 -10.256 4.009 362 HA LYS 55 HA LYS 55 7.479 -8.674 4.892 363 HB2 LYS 55 1HB LYS 55 7.018 -10.777 2.835 364 HB3 LYS 55 2HB LYS 55 8.397 -9.708 2.612 365 HG2 LYS 55 1HG LYS 55 9.396 -10.407 4.626 366 HG3 LYS 55 2HG LYS 55 7.915 -11.195 5.176 367 HD2 LYS 55 1HD LYS 55 9.291 -12.954 4.460 368 HD3 LYS 55 2HD LYS 55 8.165 -12.700 3.124 369 HE2 LYS 55 1HE LYS 55 10.256 -12.910 2.095 370 HE3 LYS 55 2HE LYS 55 9.961 -11.172 2.138 371 HZ1 LYS 55 1HZ LYS 55 11.284 -11.220 4.291 372 HZ2 LYS 55 2HZ LYS 55 12.150 -11.425 2.853 373 HZ3 LYS 55 3HZ LYS 55 11.795 -12.764 3.824 374 H ILE 56 H ILE 56 7.169 -6.526 4.546 375 HA ILE 56 HA ILE 56 6.261 -5.598 1.937 376 HB ILE 56 HB ILE 56 6.783 -4.195 4.546 377 HG12 ILE 56 1HG1 ILE 56 4.287 -4.090 2.879 378 HG13 ILE 56 2HG1 ILE 56 4.604 -5.475 3.919 379 HG21 ILE 56 1HG2 ILE 56 7.630 -2.648 2.987 380 HG22 ILE 56 2HG2 ILE 56 6.351 -2.997 1.826 381 HG23 ILE 56 3HG2 ILE 56 5.978 -2.125 3.313 382 HD11 ILE 56 1HD1 ILE 56 3.556 -2.904 4.592 383 HD12 ILE 56 2HD1 ILE 56 3.704 -4.349 5.592 384 HD13 ILE 56 3HD1 ILE 56 5.039 -3.202 5.497 385 H ASN 57 H ASN 57 7.464 -4.268 0.578 386 HA ASN 57 HA ASN 57 10.224 -3.666 1.241 387 HB2 ASN 57 1HB ASN 57 9.431 -5.626 -0.901 388 HB3 ASN 57 2HB ASN 57 10.934 -4.715 -1.010 389 HD21 ASN 57 1HD2 ASN 57 9.601 -7.539 -0.012 390 HD22 ASN 57 2HD2 ASN 57 10.786 -8.028 1.146 391 H CYS 58 H CYS 58 10.559 -1.647 0.613 392 HA CYS 58 HA CYS 58 8.846 -0.454 -1.410 393 HB2 CYS 58 1HB CYS 58 10.651 0.563 0.724 394 HB3 CYS 58 2HB CYS 58 10.413 1.590 -0.685 395 HG CYS 58 HG CYS 58 7.542 0.417 0.524 396 H ARG 59 H ARG 59 9.744 0.864 -3.138 397 HA ARG 59 HA ARG 59 12.454 0.112 -3.968 398 HB2 ARG 59 1HB ARG 59 10.457 -1.252 -5.033 399 HB3 ARG 59 2HB ARG 59 10.302 0.183 -6.037 400 HG2 ARG 59 1HG ARG 59 12.874 -0.163 -6.391 401 HG3 ARG 59 2HG ARG 59 12.496 -1.821 -5.918 402 HD2 ARG 59 1HD ARG 59 10.829 -1.958 -7.690 403 HD3 ARG 59 2HD ARG 59 11.159 -0.287 -8.145 404 HE ARG 59 HE ARG 59 13.576 -1.594 -8.296 405 HH11 ARG 59 1HH1 ARG 59 10.438 -1.907 -9.770 406 HH12 ARG 59 2HH1 ARG 59 11.055 -2.560 -11.252 407 HH21 ARG 59 1HH2 ARG 59 14.401 -2.453 -10.242 408 HH22 ARG 59 2HH2 ARG 59 13.309 -2.871 -11.519 409 H ASP 60 H ASP 60 13.356 1.520 -5.616 410 HA ASP 60 HA ASP 60 12.237 4.234 -5.431 411 HB2 ASP 60 1HB ASP 60 15.063 3.418 -6.136 412 HB3 ASP 60 2HB ASP 60 14.482 5.056 -5.851 413 H ASN 61 H ASN 61 11.238 4.973 -7.173 414 HA ASN 61 HA ASN 61 11.822 3.769 -9.778 415 HB2 ASN 61 1HB ASN 61 9.520 5.483 -8.826 416 HB3 ASN 61 2HB ASN 61 9.716 4.938 -10.489 417 HD21 ASN 61 1HD2 ASN 61 8.102 4.331 -7.762 418 HD22 ASN 61 2HD2 ASN 61 7.828 2.633 -7.928 419 H LYS 62 H LYS 62 12.905 4.825 -11.307 420 HA LYS 62 HA LYS 62 13.755 7.560 -10.790 421 HB2 LYS 62 1HB LYS 62 14.609 5.420 -12.717 422 HB3 LYS 62 2HB LYS 62 15.103 7.090 -12.960 423 HG2 LYS 62 1HG LYS 62 15.861 6.881 -10.449 424 HG3 LYS 62 2HG LYS 62 15.899 5.161 -10.845 425 HD2 LYS 62 1HD LYS 62 17.226 5.998 -12.950 426 HD3 LYS 62 2HD LYS 62 17.548 7.400 -11.926 427 HE2 LYS 62 1HE LYS 62 18.080 4.547 -11.111 428 HE3 LYS 62 2HE LYS 62 19.292 5.615 -11.818 429 HZ1 LYS 62 1HZ LYS 62 19.712 6.216 -9.731 430 HZ2 LYS 62 2HZ LYS 62 18.294 5.515 -9.133 431 HZ3 LYS 62 3HZ LYS 62 18.257 7.079 -9.776 432 H ASP 63 H ASP 63 11.021 7.283 -11.395 433 HA ASP 63 HA ASP 63 10.908 8.679 -13.986 434 HB2 ASP 63 1HB ASP 63 9.948 6.322 -14.011 435 HB3 ASP 63 2HB ASP 63 8.694 6.922 -12.928 436 H GLY 64 H GLY 64 8.925 8.050 -11.080 437 HA2 GLY 64 1HA GLY 64 8.797 10.488 -9.948 438 HA3 GLY 64 2HA GLY 64 7.695 10.664 -11.306 439 H SER 65 H SER 65 8.333 8.069 -8.945 440 HA SER 65 HA SER 65 5.859 8.371 -7.603 441 HB2 SER 65 1HB SER 65 4.783 6.264 -8.399 442 HB3 SER 65 2HB SER 65 4.880 7.507 -9.646 443 HG SER 65 HG SER 65 6.865 5.517 -9.378 444 H CYS 66 H CYS 66 5.366 6.242 -6.318 445 HA CYS 66 HA CYS 66 7.946 5.128 -5.429 446 HB2 CYS 66 1HB CYS 66 5.531 5.963 -3.829 447 HB3 CYS 66 2HB CYS 66 6.764 4.893 -3.173 448 HG CYS 66 HG CYS 66 6.984 8.198 -3.909 449 H SER 67 H SER 67 8.016 2.955 -4.834 450 HA SER 67 HA SER 67 5.652 1.367 -5.592 451 HB2 SER 67 1HB SER 67 8.513 1.087 -6.378 452 HB3 SER 67 2HB SER 67 7.592 -0.393 -6.110 453 HG SER 67 HG SER 67 7.551 0.483 -8.304 454 H ALA 68 H ALA 68 4.898 0.068 -4.059 455 HA ALA 68 HA ALA 68 6.724 -0.871 -1.957 456 HB1 ALA 68 1HB ALA 68 5.741 0.663 -0.625 457 HB2 ALA 68 2HB ALA 68 4.303 0.784 -1.640 458 HB3 ALA 68 3HB ALA 68 4.477 -0.563 -0.514 459 H GLU 69 H GLU 69 6.741 -3.014 -2.062 460 HA GLU 69 HA GLU 69 4.281 -4.417 -2.855 461 HB2 GLU 69 1HB GLU 69 5.850 -6.359 -3.258 462 HB3 GLU 69 2HB GLU 69 6.051 -4.980 -4.331 463 HG2 GLU 69 1HG GLU 69 7.719 -5.096 -1.880 464 HG3 GLU 69 2HG GLU 69 8.107 -6.187 -3.208 465 H TYR 70 H TYR 70 3.655 -6.324 -1.725 466 HA TYR 70 HA TYR 70 4.909 -6.868 0.840 467 HB2 TYR 70 1HB TYR 70 2.973 -6.472 2.170 468 HB3 TYR 70 2HB TYR 70 3.216 -5.024 1.200 469 HD1 TYR 70 2HD TYR 70 1.161 -8.071 1.567 470 HD2 TYR 70 1HD TYR 70 1.577 -4.306 -0.369 471 HE1 TYR 70 2HE TYR 70 -1.147 -8.250 0.737 472 HE2 TYR 70 1HE TYR 70 -0.730 -4.473 -1.204 473 HH TYR 70 HH TYR 70 -2.693 -5.594 -0.979 474 H ILE 71 H ILE 71 4.261 -8.863 1.772 475 HA ILE 71 HA ILE 71 2.501 -10.566 0.177 476 HB ILE 71 HB ILE 71 5.354 -11.291 0.852 477 HG12 ILE 71 1HG1 ILE 71 4.095 -11.362 -1.873 478 HG13 ILE 71 2HG1 ILE 71 4.717 -9.848 -1.226 479 HG21 ILE 71 1HG2 ILE 71 4.361 -13.314 -0.706 480 HG22 ILE 71 2HG2 ILE 71 4.567 -13.374 1.043 481 HG23 ILE 71 3HG2 ILE 71 3.002 -12.943 0.354 482 HD11 ILE 71 1HD1 ILE 71 6.173 -11.536 -2.696 483 HD12 ILE 71 2HD1 ILE 71 6.865 -10.476 -1.468 484 HD13 ILE 71 3HD1 ILE 71 6.531 -12.165 -1.088 485 HA PRO 72 HA PRO 72 1.437 -11.313 4.492 486 HB2 PRO 72 1HB PRO 72 -0.940 -12.497 3.928 487 HB3 PRO 72 2HB PRO 72 -0.719 -10.743 3.939 488 HG2 PRO 72 1HG PRO 72 -0.762 -12.632 1.617 489 HG3 PRO 72 2HG PRO 72 -1.520 -11.037 1.776 490 HD2 PRO 72 1HD PRO 72 0.806 -11.418 0.444 491 HD3 PRO 72 2HD PRO 72 0.444 -9.919 1.323 492 H PHE 73 H PHE 73 0.685 -13.324 5.654 493 HA PHE 73 HA PHE 73 1.751 -15.743 4.354 494 HB2 PHE 73 1HB PHE 73 2.138 -14.806 7.200 495 HB3 PHE 73 2HB PHE 73 2.504 -16.443 6.662 496 HD1 PHE 73 2HD PHE 73 3.986 -16.438 4.394 497 HD2 PHE 73 1HD PHE 73 3.917 -13.385 7.359 498 HE1 PHE 73 2HE PHE 73 6.226 -15.705 3.686 499 HE2 PHE 73 1HE PHE 73 6.156 -12.646 6.655 500 HZ PHE 73 HZ PHE 73 7.314 -13.807 4.818 501 H ALA 74 H ALA 74 -0.856 -14.261 5.873 502 HA ALA 74 HA ALA 74 -2.278 -16.811 6.000 503 HB1 ALA 74 1HB ALA 74 -1.326 -15.745 8.308 504 HB2 ALA 74 2HB ALA 74 -2.934 -15.025 8.233 505 HB3 ALA 74 3HB ALA 74 -2.751 -16.779 8.194 506 HA PRO 75 HA PRO 75 -5.428 -14.472 4.002 507 HB2 PRO 75 1HB PRO 75 -7.558 -16.064 4.547 508 HB3 PRO 75 2HB PRO 75 -6.316 -16.494 3.366 509 HG2 PRO 75 1HG PRO 75 -6.626 -17.398 6.203 510 HG3 PRO 75 2HG PRO 75 -6.203 -18.347 4.767 511 HD2 PRO 75 1HD PRO 75 -4.350 -17.497 6.549 512 HD3 PRO 75 2HD PRO 75 -3.998 -17.675 4.818 513 H GLY 76 H GLY 76 -6.908 -12.905 4.477 514 HA2 GLY 76 1HA GLY 76 -8.755 -12.663 6.414 515 HA3 GLY 76 2HA GLY 76 -7.278 -12.272 7.283 516 H ASP 77 H ASP 77 -8.666 -10.244 7.517 517 HA ASP 77 HA ASP 77 -8.566 -8.497 5.186 518 HB2 ASP 77 1HB ASP 77 -9.792 -6.895 6.648 519 HB3 ASP 77 2HB ASP 77 -10.616 -8.442 6.467 520 H TYR 78 H TYR 78 -6.831 -7.305 4.802 521 HA TYR 78 HA TYR 78 -5.096 -6.563 7.059 522 HB2 TYR 78 1HB TYR 78 -4.535 -7.008 4.135 523 HB3 TYR 78 2HB TYR 78 -3.409 -6.129 5.164 524 HD1 TYR 78 1HD TYR 78 -5.320 -9.345 5.164 525 HD2 TYR 78 2HD TYR 78 -1.703 -7.331 6.143 526 HE1 TYR 78 1HE TYR 78 -4.339 -11.477 5.899 527 HE2 TYR 78 2HE TYR 78 -0.711 -9.457 6.880 528 HH TYR 78 HH TYR 78 -2.514 -12.507 6.639 529 H ASP 79 H ASP 79 -4.222 -4.449 7.156 530 HA ASP 79 HA ASP 79 -5.732 -2.442 5.613 531 HB2 ASP 79 1HB ASP 79 -5.182 -2.640 8.533 532 HB3 ASP 79 2HB ASP 79 -5.168 -1.035 7.809 533 H VAL 80 H VAL 80 -4.356 -1.612 4.178 534 HA VAL 80 HA VAL 80 -1.531 -1.468 4.640 535 HB VAL 80 HB VAL 80 -3.201 -0.275 2.422 536 HG11 VAL 80 1HG1 VAL 80 -1.362 0.627 1.539 537 HG12 VAL 80 2HG1 VAL 80 -0.611 0.381 3.117 538 HG13 VAL 80 3HG1 VAL 80 -0.407 -0.823 1.844 539 HG21 VAL 80 1HG2 VAL 80 -3.088 -2.237 1.338 540 HG22 VAL 80 2HG2 VAL 80 -1.429 -2.540 1.854 541 HG23 VAL 80 3HG2 VAL 80 -2.772 -2.917 2.934 542 H ASN 81 H ASN 81 -0.791 -0.049 6.095 543 HA ASN 81 HA ASN 81 -2.053 2.538 6.437 544 HB2 ASN 81 1HB ASN 81 0.258 1.177 7.827 545 HB3 ASN 81 2HB ASN 81 -0.254 2.820 8.202 546 HD21 ASN 81 1HD2 ASN 81 -1.364 -0.521 8.057 547 HD22 ASN 81 2HD2 ASN 81 -2.549 -0.371 9.306 548 H ILE 82 H ILE 82 -1.506 4.256 5.284 549 HA ILE 82 HA ILE 82 1.268 4.491 4.325 550 HB ILE 82 HB ILE 82 -1.128 5.456 2.771 551 HG12 ILE 82 1HG1 ILE 82 0.485 2.926 2.373 552 HG13 ILE 82 2HG1 ILE 82 -1.184 3.004 2.928 553 HG21 ILE 82 1HG2 ILE 82 0.981 6.620 2.342 554 HG22 ILE 82 2HG2 ILE 82 1.759 5.078 1.988 555 HG23 ILE 82 3HG2 ILE 82 0.469 5.675 0.944 556 HD11 ILE 82 1HD1 ILE 82 -0.087 3.627 0.212 557 HD12 ILE 82 2HD1 ILE 82 -1.320 2.450 0.667 558 HD13 ILE 82 3HD1 ILE 82 -1.683 4.175 0.725 559 H THR 83 H THR 83 2.237 6.245 5.074 560 HA THR 83 HA THR 83 0.621 8.650 5.596 561 HB THR 83 HB THR 83 2.100 9.124 7.560 562 HG1 THR 83 1HG THR 83 3.720 7.503 6.812 563 HG21 THR 83 1HG2 THR 83 0.264 8.380 8.594 564 HG22 THR 83 2HG2 THR 83 1.064 6.812 8.713 565 HG23 THR 83 3HG2 THR 83 -0.012 7.153 7.358 566 H TYR 84 H TYR 84 1.729 10.650 5.406 567 HA TYR 84 HA TYR 84 4.391 10.544 4.180 568 HB2 TYR 84 1HB TYR 84 2.528 10.656 2.436 569 HB3 TYR 84 2HB TYR 84 2.199 12.276 3.042 570 HD1 TYR 84 1HD TYR 84 4.792 10.162 1.449 571 HD2 TYR 84 2HD TYR 84 3.521 14.116 2.373 572 HE1 TYR 84 1HE TYR 84 6.539 11.062 -0.029 573 HE2 TYR 84 2HE TYR 84 5.264 15.027 0.897 574 HH TYR 84 HH TYR 84 7.836 13.243 -0.229 575 H GLY 85 H GLY 85 5.659 11.749 5.422 576 HA2 GLY 85 1HA GLY 85 6.462 13.566 6.579 577 HA3 GLY 85 2HA GLY 85 5.137 14.499 5.897 578 H GLY 86 H GLY 86 4.451 11.622 7.712 579 HA2 GLY 86 1HA GLY 86 3.793 11.348 9.936 580 HA3 GLY 86 2HA GLY 86 4.048 13.067 10.198 581 H ALA 87 H ALA 87 2.164 12.131 7.471 582 HA ALA 87 HA ALA 87 -0.328 12.629 8.948 583 HB1 ALA 87 1HB ALA 87 -1.128 14.038 7.075 584 HB2 ALA 87 2HB ALA 87 0.245 14.736 7.935 585 HB3 ALA 87 3HB ALA 87 0.487 13.961 6.370 586 H HIS 88 H HIS 88 -1.892 11.213 8.498 587 HA HIS 88 HA HIS 88 -1.421 9.061 6.694 588 HB2 HIS 88 1HB HIS 88 -3.595 9.851 8.567 589 HB3 HIS 88 2HB HIS 88 -4.002 8.709 7.289 590 HD1 HIS 88 1HD HIS 88 -2.501 6.468 7.258 591 HD2 HIS 88 2HD HIS 88 -2.345 8.751 10.726 592 HE1 HIS 88 1HE HIS 88 -1.551 4.948 9.022 593 HE2 HIS 88 2HE HIS 88 -1.546 6.325 11.131 594 H ILE 89 H ILE 89 -1.862 8.932 4.598 595 HA ILE 89 HA ILE 89 -2.966 11.089 3.149 596 HB ILE 89 HB ILE 89 -2.855 9.647 1.195 597 HG12 ILE 89 1HG1 ILE 89 -1.879 7.350 2.842 598 HG13 ILE 89 2HG1 ILE 89 -3.615 7.608 2.696 599 HG21 ILE 89 1HG2 ILE 89 -0.394 8.811 2.592 600 HG22 ILE 89 2HG2 ILE 89 -0.599 9.683 1.074 601 HG23 ILE 89 3HG2 ILE 89 -0.755 10.537 2.609 602 HD11 ILE 89 1HD1 ILE 89 -2.266 6.068 1.026 603 HD12 ILE 89 2HD1 ILE 89 -3.653 7.025 0.506 604 HD13 ILE 89 3HD1 ILE 89 -2.017 7.608 0.204 605 HA PRO 90 HA PRO 90 -7.294 10.346 3.280 606 HB2 PRO 90 1HB PRO 90 -8.035 11.301 0.849 607 HB3 PRO 90 2HB PRO 90 -7.538 12.350 2.182 608 HG2 PRO 90 1HG PRO 90 -5.953 11.402 -0.174 609 HG3 PRO 90 2HG PRO 90 -6.019 13.018 0.553 610 HD2 PRO 90 1HD PRO 90 -3.995 11.285 1.036 611 HD3 PRO 90 2HD PRO 90 -4.561 12.453 2.247 612 H GLY 91 H GLY 91 -6.934 7.977 3.245 613 HA2 GLY 91 1HA GLY 91 -8.572 6.602 1.571 614 HA3 GLY 91 2HA GLY 91 -7.042 6.615 0.706 615 H SER 92 H SER 92 -5.730 6.648 3.492 616 HA SER 92 HA SER 92 -5.786 3.732 3.809 617 HB2 SER 92 1HB SER 92 -3.561 4.200 3.540 618 HB3 SER 92 2HB SER 92 -3.716 5.830 4.194 619 HG SER 92 HG SER 92 -3.558 5.056 6.214 620 HA PRO 93 HA PRO 93 -4.659 2.420 5.427 621 HB2 PRO 93 1HB PRO 93 -5.987 0.386 6.640 622 HB3 PRO 93 2HB PRO 93 -4.758 1.356 7.461 623 HG2 PRO 93 1HG PRO 93 -7.740 1.581 7.582 624 HG3 PRO 93 2HG PRO 93 -6.557 1.680 8.898 625 HD2 PRO 93 1HD PRO 93 -7.681 3.876 7.783 626 HD3 PRO 93 2HD PRO 93 -6.026 3.873 8.426 627 H PHE 94 H PHE 94 -4.990 0.928 3.787 628 HA PHE 94 HA PHE 94 -7.622 1.071 2.501 629 HB2 PHE 94 1HB PHE 94 -4.913 0.286 1.409 630 HB3 PHE 94 2HB PHE 94 -6.408 0.235 0.481 631 HD1 PHE 94 2HD PHE 94 -4.058 2.477 2.236 632 HD2 PHE 94 1HD PHE 94 -7.302 2.178 -0.504 633 HE1 PHE 94 2HE PHE 94 -3.746 4.836 1.615 634 HE2 PHE 94 1HE PHE 94 -6.994 4.538 -1.131 635 HZ PHE 94 HZ PHE 94 -5.214 5.870 -0.070 636 H ARG 95 H ARG 95 -8.918 -0.542 3.103 637 HA ARG 95 HA ARG 95 -8.046 -3.041 4.075 638 HB2 ARG 95 1HB ARG 95 -10.218 -2.198 4.689 639 HB3 ARG 95 2HB ARG 95 -10.725 -2.149 3.006 640 HG2 ARG 95 1HG ARG 95 -11.757 -4.047 3.894 641 HG3 ARG 95 2HG ARG 95 -10.374 -4.668 2.991 642 HD2 ARG 95 1HD ARG 95 -10.449 -5.824 5.073 643 HD3 ARG 95 2HD ARG 95 -9.094 -4.698 5.140 644 HE ARG 95 HE ARG 95 -10.133 -3.625 6.865 645 HH11 ARG 95 1HH1 ARG 95 -12.481 -5.557 5.169 646 HH12 ARG 95 2HH1 ARG 95 -13.747 -5.256 6.312 647 HH21 ARG 95 1HH2 ARG 95 -11.792 -3.222 8.378 648 HH22 ARG 95 2HH2 ARG 95 -13.355 -3.928 8.137 649 H VAL 96 H VAL 96 -7.457 -4.851 3.065 650 HA VAL 96 HA VAL 96 -8.210 -5.225 0.250 651 HB VAL 96 HB VAL 96 -5.436 -5.813 1.277 652 HG11 VAL 96 1HG1 VAL 96 -6.396 -7.086 -0.697 653 HG12 VAL 96 2HG1 VAL 96 -6.369 -5.552 -1.570 654 HG13 VAL 96 3HG1 VAL 96 -4.866 -6.253 -0.968 655 HG21 VAL 96 1HG2 VAL 96 -4.978 -3.807 -0.394 656 HG22 VAL 96 2HG2 VAL 96 -6.595 -3.333 0.124 657 HG23 VAL 96 3HG2 VAL 96 -5.311 -3.536 1.316 658 HA PRO 97 HA PRO 97 -9.369 -9.168 1.966 659 HB2 PRO 97 1HB PRO 97 -10.268 -10.233 -0.364 660 HB3 PRO 97 2HB PRO 97 -11.196 -9.059 0.576 661 HG2 PRO 97 1HG PRO 97 -9.491 -8.624 -1.846 662 HG3 PRO 97 2HG PRO 97 -11.086 -7.949 -1.465 663 HD2 PRO 97 1HD PRO 97 -8.793 -6.547 -1.132 664 HD3 PRO 97 2HD PRO 97 -10.207 -6.327 -0.083 665 H VAL 98 H VAL 98 -7.786 -10.545 2.481 666 HA VAL 98 HA VAL 98 -5.877 -11.385 0.420 667 HB VAL 98 HB VAL 98 -5.793 -11.624 3.427 668 HG11 VAL 98 1HG1 VAL 98 -3.639 -12.672 3.215 669 HG12 VAL 98 2HG1 VAL 98 -4.820 -13.613 2.301 670 HG13 VAL 98 3HG1 VAL 98 -3.702 -12.540 1.458 671 HG21 VAL 98 1HG2 VAL 98 -5.027 -9.527 3.164 672 HG22 VAL 98 2HG2 VAL 98 -3.538 -10.321 2.650 673 HG23 VAL 98 3HG2 VAL 98 -4.696 -9.755 1.446 674 H LYS 99 H LYS 99 -6.782 -13.029 -0.702 675 HA LYS 99 HA LYS 99 -8.029 -15.231 0.780 676 HB2 LYS 99 1HB LYS 99 -7.957 -14.858 -2.214 677 HB3 LYS 99 2HB LYS 99 -9.014 -15.916 -1.288 678 HG2 LYS 99 1HG LYS 99 -10.406 -14.221 -0.671 679 HG3 LYS 99 2HG LYS 99 -9.132 -13.001 -0.740 680 HD2 LYS 99 1HD LYS 99 -9.166 -13.118 -3.191 681 HD3 LYS 99 2HD LYS 99 -10.454 -14.323 -3.111 682 HE2 LYS 99 1HE LYS 99 -10.597 -11.475 -2.127 683 HE3 LYS 99 2HE LYS 99 -11.373 -12.122 -3.572 684 HZ1 LYS 99 1HZ LYS 99 -12.763 -13.500 -2.229 685 HZ2 LYS 99 2HZ LYS 99 -12.872 -11.920 -1.635 686 HZ3 LYS 99 3HZ LYS 99 -11.938 -13.068 -0.816 687 H ASP 100 H ASP 100 -7.502 -17.442 0.176 688 HA ASP 100 HA ASP 100 -4.647 -17.711 -0.462 689 HB2 ASP 100 1HB ASP 100 -5.061 -20.073 0.531 690 HB3 ASP 100 2HB ASP 100 -4.983 -18.696 1.626 691 H VAL 101 H VAL 101 -4.056 -18.568 -2.337 692 HA VAL 101 HA VAL 101 -5.533 -19.087 -4.499 693 HB VAL 101 HB VAL 101 -3.160 -20.763 -3.667 694 HG11 VAL 101 1HG1 VAL 101 -3.781 -20.230 -6.513 695 HG12 VAL 101 2HG1 VAL 101 -3.052 -21.647 -5.756 696 HG13 VAL 101 3HG1 VAL 101 -4.797 -21.402 -5.674 697 HG21 VAL 101 1HG2 VAL 101 -1.839 -19.181 -4.959 698 HG22 VAL 101 2HG2 VAL 101 -3.289 -18.252 -5.338 699 HG23 VAL 101 3HG2 VAL 101 -2.714 -18.348 -3.674 700 H VAL 102 H VAL 102 -4.726 -21.596 -2.100 701 HA VAL 102 HA VAL 102 -7.153 -23.041 -2.927 702 HB VAL 102 HB VAL 102 -5.187 -24.170 -3.895 703 HG11 VAL 102 1HG1 VAL 102 -3.904 -23.466 -1.588 704 HG12 VAL 102 2HG1 VAL 102 -4.193 -25.189 -1.341 705 HG13 VAL 102 3HG1 VAL 102 -3.310 -24.636 -2.765 706 HG21 VAL 102 1HG2 VAL 102 -6.409 -26.008 -3.663 707 HG22 VAL 102 2HG2 VAL 102 -5.719 -26.262 -2.060 708 HG23 VAL 102 3HG2 VAL 102 -7.198 -25.320 -2.244 709 H ASP 103 H ASP 103 -8.286 -24.068 -1.307 710 HA ASP 103 HA ASP 103 -7.569 -23.260 1.409 711 HB2 ASP 103 1HB ASP 103 -10.111 -24.098 0.067 712 HB3 ASP 103 2HB ASP 103 -9.966 -24.263 1.815 713 HA PRO 104 HA PRO 104 -6.341 -27.266 2.716 714 HB2 PRO 104 1HB PRO 104 -7.147 -27.228 5.309 715 HB3 PRO 104 2HB PRO 104 -5.764 -26.298 4.719 716 HG2 PRO 104 1HG PRO 104 -8.570 -25.395 5.241 717 HG3 PRO 104 2HG PRO 104 -7.042 -24.585 5.636 718 HD2 PRO 104 1HD PRO 104 -8.543 -23.897 3.490 719 HD3 PRO 104 2HD PRO 104 -6.772 -23.776 3.495 720 H SER 105 H SER 105 -7.532 -28.807 1.674 721 HA SER 105 HA SER 105 -10.161 -29.481 2.822 722 HB2 SER 105 1HB SER 105 -9.964 -28.792 0.341 723 HB3 SER 105 2HB SER 105 -9.217 -30.372 0.104 724 HG SER 105 HG SER 105 -11.092 -31.348 0.779 Start of MODEL 4 1 H1 GLY 1 H GLY 1 7.443 15.227 17.850 2 HA2 GLY 1 1HA GLY 1 5.613 16.497 18.502 3 HA3 GLY 1 2HA GLY 1 6.894 17.561 19.064 4 H SER 2 H SER 2 4.238 17.257 17.020 5 HA SER 2 HA SER 2 5.063 19.359 15.189 6 HB2 SER 2 1HB SER 2 2.844 18.995 14.146 7 HB3 SER 2 2HB SER 2 3.768 17.498 14.282 8 HG SER 2 HG SER 2 2.008 18.207 16.346 9 H SER 3 H SER 3 3.759 21.285 14.877 10 HA SER 3 HA SER 3 2.778 22.314 17.442 11 HB2 SER 3 1HB SER 3 4.616 23.530 16.222 12 HB3 SER 3 2HB SER 3 3.450 23.889 14.948 13 HG SER 3 HG SER 3 2.362 25.202 16.288 14 H GLY 4 H GLY 4 1.050 20.591 16.126 15 HA2 GLY 4 1HA GLY 4 -1.254 20.581 15.815 16 HA3 GLY 4 2HA GLY 4 -1.227 22.338 15.765 17 H SER 5 H SER 5 0.357 22.969 13.714 18 HA SER 5 HA SER 5 0.066 21.425 11.376 19 HB2 SER 5 1HB SER 5 -2.340 22.041 11.755 20 HB3 SER 5 2HB SER 5 -1.884 23.732 11.552 21 HG SER 5 HG SER 5 -1.224 23.253 9.447 22 H SER 6 H SER 6 1.113 22.340 9.613 23 HA SER 6 HA SER 6 1.856 25.084 9.491 24 HB2 SER 6 1HB SER 6 3.366 24.165 11.324 25 HB3 SER 6 2HB SER 6 4.143 23.198 10.070 26 HG SER 6 HG SER 6 4.717 25.107 9.015 27 H GLY 7 H GLY 7 2.942 25.621 7.553 28 HA2 GLY 7 1HA GLY 7 2.326 23.981 5.351 29 HA3 GLY 7 2HA GLY 7 3.368 25.395 5.310 30 H GLY 8 H GLY 8 3.218 21.999 5.168 31 HA2 GLY 8 1HA GLY 8 6.164 21.900 5.040 32 HA3 GLY 8 2HA GLY 8 5.260 20.667 5.907 33 H CYS 9 H CYS 9 3.349 19.793 4.428 34 HA CYS 9 HA CYS 9 4.147 19.513 1.653 35 HB2 CYS 9 1HB CYS 9 4.228 17.240 3.627 36 HB3 CYS 9 2HB CYS 9 3.993 16.957 1.906 37 HG CYS 9 HG CYS 9 6.501 18.788 1.742 38 H GLN 10 H GLN 10 2.575 17.608 0.731 39 HA GLN 10 HA GLN 10 -0.116 18.132 1.791 40 HB2 GLN 10 1HB GLN 10 0.850 18.402 -1.043 41 HB3 GLN 10 2HB GLN 10 -0.844 18.096 -0.683 42 HG2 GLN 10 1HG GLN 10 -1.123 20.155 0.360 43 HG3 GLN 10 2HG GLN 10 0.610 20.380 0.588 44 HE21 GLN 10 1HE2 GLN 10 -1.703 21.836 -0.848 45 HE22 GLN 10 2HE2 GLN 10 -1.010 22.253 -2.375 46 HA PRO 11 HA PRO 11 0.382 13.607 1.472 47 HB2 PRO 11 1HB PRO 11 -1.360 13.070 3.483 48 HB3 PRO 11 2HB PRO 11 0.334 13.486 3.766 49 HG2 PRO 11 1HG PRO 11 -2.097 15.224 3.937 50 HG3 PRO 11 2HG PRO 11 -0.705 15.136 5.032 51 HD2 PRO 11 1HD PRO 11 -0.973 17.083 3.169 52 HD3 PRO 11 2HD PRO 11 0.609 16.451 3.670 53 H SER 12 H SER 12 -2.081 15.778 0.809 54 HA SER 12 HA SER 12 -4.142 13.805 0.290 55 HB2 SER 12 1HB SER 12 -4.112 16.759 -0.370 56 HB3 SER 12 2HB SER 12 -5.518 15.695 -0.388 57 HG SER 12 HG SER 12 -5.715 16.358 1.602 58 H ARG 13 H ARG 13 -1.738 15.629 -1.465 59 HA ARG 13 HA ARG 13 -2.767 15.193 -4.069 60 HB2 ARG 13 1HB ARG 13 0.122 15.631 -3.300 61 HB3 ARG 13 2HB ARG 13 -0.618 15.942 -4.865 62 HG2 ARG 13 1HG ARG 13 -1.686 17.354 -2.475 63 HG3 ARG 13 2HG ARG 13 -0.154 17.886 -3.172 64 HD2 ARG 13 1HD ARG 13 -2.543 17.457 -4.921 65 HD3 ARG 13 2HD ARG 13 -2.380 18.947 -3.992 66 HE ARG 13 HE ARG 13 0.017 18.602 -5.313 67 HH11 ARG 13 1HH1 ARG 13 -3.332 18.997 -6.177 68 HH12 ARG 13 2HH1 ARG 13 -2.986 19.777 -7.685 69 HH21 ARG 13 1HH2 ARG 13 0.485 19.628 -7.296 70 HH22 ARG 13 2HH2 ARG 13 -0.815 20.135 -8.320 71 H VAL 14 H VAL 14 -1.386 13.090 -1.837 72 HA VAL 14 HA VAL 14 -0.026 11.342 -3.652 73 HB VAL 14 HB VAL 14 -1.070 10.584 -0.930 74 HG11 VAL 14 1HG1 VAL 14 -0.127 8.840 -2.480 75 HG12 VAL 14 2HG1 VAL 14 1.422 9.678 -2.357 76 HG13 VAL 14 3HG1 VAL 14 0.679 8.978 -0.918 77 HG21 VAL 14 1HG2 VAL 14 1.520 11.993 -1.571 78 HG22 VAL 14 2HG2 VAL 14 0.136 12.711 -0.748 79 HG23 VAL 14 3HG2 VAL 14 1.027 11.394 0.013 80 H GLN 15 H GLN 15 -0.706 9.397 -4.508 81 HA GLN 15 HA GLN 15 -3.518 8.656 -4.127 82 HB2 GLN 15 1HB GLN 15 -2.195 8.807 -6.838 83 HB3 GLN 15 2HB GLN 15 -3.870 8.387 -6.501 84 HG2 GLN 15 1HG GLN 15 -4.420 10.586 -5.911 85 HG3 GLN 15 2HG GLN 15 -2.728 11.055 -5.753 86 HE21 GLN 15 1HE2 GLN 15 -4.755 9.535 -8.244 87 HE22 GLN 15 2HE2 GLN 15 -4.240 10.565 -9.532 88 H ALA 16 H ALA 16 -3.875 6.513 -3.991 89 HA ALA 16 HA ALA 16 -1.668 4.703 -4.721 90 HB1 ALA 16 1HB ALA 16 -3.438 4.220 -2.345 91 HB2 ALA 16 2HB ALA 16 -1.892 3.469 -2.742 92 HB3 ALA 16 3HB ALA 16 -1.946 5.154 -2.224 93 H GLN 17 H GLN 17 -2.278 3.303 -6.223 94 HA GLN 17 HA GLN 17 -4.898 2.047 -6.065 95 HB2 GLN 17 1HB GLN 17 -5.561 2.574 -8.289 96 HB3 GLN 17 2HB GLN 17 -5.115 4.092 -7.522 97 HG2 GLN 17 1HG GLN 17 -3.125 4.255 -8.731 98 HG3 GLN 17 2HG GLN 17 -3.166 2.556 -9.198 99 HE21 GLN 17 1HE2 GLN 17 -3.220 2.660 -11.352 100 HE22 GLN 17 2HE2 GLN 17 -4.422 3.488 -12.276 101 H GLY 18 H GLY 18 -5.076 0.120 -7.369 102 HA2 GLY 18 1HA GLY 18 -3.596 -1.151 -9.098 103 HA3 GLY 18 2HA GLY 18 -2.450 -1.129 -7.766 104 HA PRO 19 HA PRO 19 -5.070 -4.981 -7.512 105 HB2 PRO 19 1HB PRO 19 -2.979 -6.705 -7.363 106 HB3 PRO 19 2HB PRO 19 -3.675 -6.170 -8.897 107 HG2 PRO 19 1HG PRO 19 -1.223 -5.191 -7.485 108 HG3 PRO 19 2HG PRO 19 -1.462 -5.527 -9.210 109 HD2 PRO 19 1HD PRO 19 -1.536 -3.020 -8.191 110 HD3 PRO 19 2HD PRO 19 -2.517 -3.513 -9.586 111 H GLY 20 H GLY 20 -2.025 -4.205 -5.832 112 HA2 GLY 20 1HA GLY 20 -2.458 -5.737 -3.533 113 HA3 GLY 20 2HA GLY 20 -1.454 -4.297 -3.612 114 H LEU 21 H LEU 21 -4.133 -2.984 -4.592 115 HA LEU 21 HA LEU 21 -5.058 -2.375 -1.870 116 HB2 LEU 21 1HB LEU 21 -5.431 -0.771 -4.394 117 HB3 LEU 21 2HB LEU 21 -5.877 -0.277 -2.762 118 HG LEU 21 HG LEU 21 -3.054 -0.736 -3.727 119 HD11 LEU 21 1HD1 LEU 21 -4.823 1.505 -4.029 120 HD12 LEU 21 2HD1 LEU 21 -3.175 1.291 -4.617 121 HD13 LEU 21 3HD1 LEU 21 -3.457 1.937 -3.000 122 HD21 LEU 21 1HD2 LEU 21 -3.184 -1.157 -1.386 123 HD22 LEU 21 2HD2 LEU 21 -4.194 0.265 -1.124 124 HD23 LEU 21 3HD2 LEU 21 -2.504 0.456 -1.593 125 H LYS 22 H LYS 22 -6.063 -3.484 -5.015 126 HA LYS 22 HA LYS 22 -8.881 -3.323 -4.437 127 HB2 LYS 22 1HB LYS 22 -7.241 -4.418 -6.698 128 HB3 LYS 22 2HB LYS 22 -8.950 -4.818 -6.573 129 HG2 LYS 22 1HG LYS 22 -9.521 -2.451 -6.641 130 HG3 LYS 22 2HG LYS 22 -7.808 -2.035 -6.736 131 HD2 LYS 22 1HD LYS 22 -8.411 -1.962 -8.957 132 HD3 LYS 22 2HD LYS 22 -7.844 -3.628 -8.813 133 HE2 LYS 22 1HE LYS 22 -10.014 -4.489 -8.805 134 HE3 LYS 22 2HE LYS 22 -10.729 -2.931 -8.391 135 HZ1 LYS 22 1HZ LYS 22 -11.196 -2.944 -10.585 136 HZ2 LYS 22 2HZ LYS 22 -9.910 -3.967 -10.986 137 HZ3 LYS 22 3HZ LYS 22 -9.628 -2.322 -10.713 138 H GLU 23 H GLU 23 -6.522 -5.964 -4.814 139 HA GLU 23 HA GLU 23 -7.740 -7.505 -2.748 140 HB2 GLU 23 1HB GLU 23 -8.617 -9.325 -4.007 141 HB3 GLU 23 2HB GLU 23 -9.314 -7.859 -4.682 142 HG2 GLU 23 1HG GLU 23 -6.835 -8.965 -5.898 143 HG3 GLU 23 2HG GLU 23 -8.378 -9.749 -6.229 144 H ALA 24 H ALA 24 -6.438 -9.185 -2.061 145 HA ALA 24 HA ALA 24 -3.991 -9.695 -3.611 146 HB1 ALA 24 1HB ALA 24 -4.186 -8.900 -0.722 147 HB2 ALA 24 2HB ALA 24 -2.784 -9.755 -1.366 148 HB3 ALA 24 3HB ALA 24 -3.220 -8.170 -2.004 149 H PHE 25 H PHE 25 -2.728 -11.525 -2.200 150 HA PHE 25 HA PHE 25 -4.645 -13.570 -1.364 151 HB2 PHE 25 1HB PHE 25 -2.860 -13.695 -3.742 152 HB3 PHE 25 2HB PHE 25 -3.029 -15.160 -2.779 153 HD1 PHE 25 2HD PHE 25 -4.963 -12.599 -4.634 154 HD2 PHE 25 1HD PHE 25 -4.898 -16.535 -3.014 155 HE1 PHE 25 2HE PHE 25 -7.081 -13.103 -5.781 156 HE2 PHE 25 1HE PHE 25 -7.015 -17.045 -4.159 157 HZ PHE 25 HZ PHE 25 -8.110 -15.328 -5.544 158 H THR 26 H THR 26 -3.412 -15.559 -0.533 159 HA THR 26 HA THR 26 -1.498 -14.616 1.410 160 HB THR 26 HB THR 26 -1.555 -16.969 2.249 161 HG1 THR 26 1HG THR 26 -2.079 -18.240 0.567 162 HG21 THR 26 1HG2 THR 26 -4.029 -15.322 1.923 163 HG22 THR 26 2HG2 THR 26 -3.075 -15.638 3.372 164 HG23 THR 26 3HG2 THR 26 -4.127 -16.893 2.718 165 H ASN 27 H ASN 27 0.648 -14.782 1.304 166 HA ASN 27 HA ASN 27 2.743 -15.306 0.590 167 HB2 ASN 27 1HB ASN 27 1.364 -17.839 -0.326 168 HB3 ASN 27 2HB ASN 27 3.109 -17.604 -0.317 169 HD21 ASN 27 1HD2 ASN 27 0.368 -17.147 1.894 170 HD22 ASN 27 2HD2 ASN 27 1.144 -17.848 3.269 171 H LYS 28 H LYS 28 0.844 -13.877 -1.144 172 HA LYS 28 HA LYS 28 2.100 -14.463 -3.746 173 HB2 LYS 28 1HB LYS 28 -0.705 -13.621 -3.076 174 HB3 LYS 28 2HB LYS 28 -0.019 -13.274 -4.658 175 HG2 LYS 28 1HG LYS 28 0.561 -15.856 -4.563 176 HG3 LYS 28 2HG LYS 28 -0.816 -15.864 -3.458 177 HD2 LYS 28 1HD LYS 28 -1.886 -16.199 -5.460 178 HD3 LYS 28 2HD LYS 28 -1.936 -14.437 -5.363 179 HE2 LYS 28 1HE LYS 28 0.346 -14.599 -6.628 180 HE3 LYS 28 2HE LYS 28 -0.238 -16.202 -7.074 181 HZ1 LYS 28 1HZ LYS 28 -2.318 -14.388 -7.489 182 HZ2 LYS 28 2HZ LYS 28 -1.454 -15.266 -8.649 183 HZ3 LYS 28 3HZ LYS 28 -0.929 -13.724 -8.192 184 HA PRO 29 HA PRO 29 3.772 -10.393 -3.601 185 HB2 PRO 29 1HB PRO 29 4.165 -9.993 -6.257 186 HB3 PRO 29 2HB PRO 29 5.176 -11.072 -5.288 187 HG2 PRO 29 1HG PRO 29 2.889 -11.739 -7.101 188 HG3 PRO 29 2HG PRO 29 4.453 -12.556 -6.926 189 HD2 PRO 29 1HD PRO 29 2.187 -13.487 -5.773 190 HD3 PRO 29 2HD PRO 29 3.789 -13.696 -5.037 191 H ASN 30 H ASN 30 2.455 -8.758 -3.062 192 HA ASN 30 HA ASN 30 0.447 -7.888 -5.036 193 HB2 ASN 30 1HB ASN 30 0.193 -7.224 -2.126 194 HB3 ASN 30 2HB ASN 30 -1.065 -7.372 -3.349 195 HD21 ASN 30 1HD2 ASN 30 0.745 -8.955 -0.933 196 HD22 ASN 30 2HD2 ASN 30 0.026 -10.517 -1.092 197 H VAL 31 H VAL 31 1.108 -6.102 -6.022 198 HA VAL 31 HA VAL 31 2.487 -4.044 -4.422 199 HB VAL 31 HB VAL 31 3.874 -3.464 -6.213 200 HG11 VAL 31 1HG1 VAL 31 4.251 -5.770 -5.128 201 HG12 VAL 31 2HG1 VAL 31 3.712 -6.420 -6.678 202 HG13 VAL 31 3HG1 VAL 31 5.135 -5.380 -6.603 203 HG21 VAL 31 1HG2 VAL 31 3.562 -4.482 -8.505 204 HG22 VAL 31 2HG2 VAL 31 1.983 -5.036 -7.949 205 HG23 VAL 31 3HG2 VAL 31 2.340 -3.310 -8.011 206 H PHE 32 H PHE 32 2.334 -1.831 -5.543 207 HA PHE 32 HA PHE 32 -0.032 -1.353 -7.107 208 HB2 PHE 32 1HB PHE 32 -0.895 0.298 -5.298 209 HB3 PHE 32 2HB PHE 32 -1.254 -1.417 -5.121 210 HD1 PHE 32 1HD PHE 32 0.687 1.401 -3.837 211 HD2 PHE 32 2HD PHE 32 -0.222 -2.732 -3.382 212 HE1 PHE 32 1HE PHE 32 1.720 1.423 -1.604 213 HE2 PHE 32 2HE PHE 32 0.809 -2.716 -1.148 214 HZ PHE 32 HZ PHE 32 1.781 -0.637 -0.256 215 H THR 33 H THR 33 -0.261 0.909 -7.715 216 HA THR 33 HA THR 33 2.350 2.202 -7.877 217 HB THR 33 HB THR 33 -0.183 3.060 -9.276 218 HG1 THR 33 1HG THR 33 0.504 0.820 -9.722 219 HG21 THR 33 1HG2 THR 33 2.404 3.421 -10.586 220 HG22 THR 33 2HG2 THR 33 2.257 4.303 -9.066 221 HG23 THR 33 3HG2 THR 33 1.083 4.565 -10.356 222 H VAL 34 H VAL 34 2.864 4.059 -6.880 223 HA VAL 34 HA VAL 34 0.713 5.533 -5.505 224 HB VAL 34 HB VAL 34 3.509 5.071 -4.455 225 HG11 VAL 34 1HG1 VAL 34 2.733 6.191 -2.443 226 HG12 VAL 34 2HG1 VAL 34 2.562 7.254 -3.841 227 HG13 VAL 34 3HG1 VAL 34 1.147 6.440 -3.172 228 HG21 VAL 34 1HG2 VAL 34 2.609 3.567 -2.890 229 HG22 VAL 34 2HG2 VAL 34 0.951 4.041 -3.261 230 HG23 VAL 34 3HG2 VAL 34 1.883 3.107 -4.430 231 H VAL 35 H VAL 35 0.491 7.354 -6.651 232 HA VAL 35 HA VAL 35 2.788 8.657 -7.852 233 HB VAL 35 HB VAL 35 -0.123 9.469 -7.850 234 HG11 VAL 35 1HG1 VAL 35 2.158 10.486 -9.542 235 HG12 VAL 35 2HG1 VAL 35 0.473 11.003 -9.628 236 HG13 VAL 35 3HG1 VAL 35 1.432 11.352 -8.189 237 HG21 VAL 35 1HG2 VAL 35 -0.259 7.654 -9.185 238 HG22 VAL 35 2HG2 VAL 35 0.419 8.750 -10.390 239 HG23 VAL 35 3HG2 VAL 35 1.473 7.636 -9.519 240 H THR 36 H THR 36 4.003 10.002 -6.713 241 HA THR 36 HA THR 36 2.692 11.794 -4.779 242 HB THR 36 HB THR 36 4.561 11.598 -3.251 243 HG1 THR 36 1HG THR 36 6.315 11.143 -4.476 244 HG21 THR 36 1HG2 THR 36 2.792 9.450 -3.899 245 HG22 THR 36 2HG2 THR 36 3.451 9.903 -2.327 246 HG23 THR 36 3HG2 THR 36 4.333 8.781 -3.363 247 H ARG 37 H ARG 37 3.217 12.496 -7.415 248 HA ARG 37 HA ARG 37 5.707 13.996 -7.446 249 HB2 ARG 37 1HB ARG 37 5.064 14.588 -9.747 250 HB3 ARG 37 2HB ARG 37 5.036 12.849 -9.486 251 HG2 ARG 37 1HG ARG 37 3.083 13.100 -10.619 252 HG3 ARG 37 2HG ARG 37 2.493 13.318 -8.970 253 HD2 ARG 37 1HD ARG 37 2.774 15.779 -9.275 254 HD3 ARG 37 2HD ARG 37 3.165 15.472 -10.967 255 HE ARG 37 HE ARG 37 0.645 14.373 -10.075 256 HH11 ARG 37 1HH1 ARG 37 2.288 17.087 -11.509 257 HH12 ARG 37 2HH1 ARG 37 0.863 17.718 -12.265 258 HH21 ARG 37 1HH2 ARG 37 -1.239 15.193 -11.065 259 HH22 ARG 37 2HH2 ARG 37 -1.143 16.640 -12.011 260 H GLY 38 H GLY 38 2.627 14.477 -6.291 261 HA2 GLY 38 1HA GLY 38 2.808 17.399 -6.692 262 HA3 GLY 38 2HA GLY 38 1.299 16.528 -6.456 263 H ALA 39 H ALA 39 2.443 14.840 -4.335 264 HA ALA 39 HA ALA 39 1.620 16.180 -2.091 265 HB1 ALA 39 1HB ALA 39 2.586 14.468 -0.806 266 HB2 ALA 39 2HB ALA 39 2.200 13.716 -2.354 267 HB3 ALA 39 3HB ALA 39 3.861 14.182 -1.990 268 H GLY 40 H GLY 40 5.023 15.772 -3.103 269 HA2 GLY 40 1HA GLY 40 6.178 18.086 -3.008 270 HA3 GLY 40 2HA GLY 40 5.741 17.989 -1.309 271 H ILE 41 H ILE 41 7.414 17.463 -0.087 272 HA ILE 41 HA ILE 41 9.185 15.300 -0.978 273 HB ILE 41 HB ILE 41 10.197 17.866 0.249 274 HG12 ILE 41 1HG1 ILE 41 10.734 16.913 -2.556 275 HG13 ILE 41 2HG1 ILE 41 9.349 17.934 -2.185 276 HG21 ILE 41 1HG2 ILE 41 11.330 15.241 -0.065 277 HG22 ILE 41 2HG2 ILE 41 12.272 16.436 -0.956 278 HG23 ILE 41 3HG2 ILE 41 11.981 16.650 0.770 279 HD11 ILE 41 1HD1 ILE 41 10.868 19.641 -1.298 280 HD12 ILE 41 2HD1 ILE 41 12.241 18.621 -1.728 281 HD13 ILE 41 3HD1 ILE 41 11.192 19.265 -2.991 282 H GLY 42 H GLY 42 9.451 13.797 0.539 283 HA2 GLY 42 1HA GLY 42 9.965 14.218 3.237 284 HA3 GLY 42 2HA GLY 42 8.224 14.028 3.088 285 H GLY 43 H GLY 43 9.498 12.238 4.620 286 HA2 GLY 43 1HA GLY 43 10.249 9.911 3.061 287 HA3 GLY 43 2HA GLY 43 10.198 10.024 4.814 288 H LEU 44 H LEU 44 8.839 8.522 2.251 289 HA LEU 44 HA LEU 44 6.111 8.465 3.252 290 HB2 LEU 44 1HB LEU 44 6.282 8.516 0.897 291 HB3 LEU 44 2HB LEU 44 7.486 7.229 0.884 292 HG LEU 44 HG LEU 44 5.757 5.622 1.564 293 HD11 LEU 44 1HD1 LEU 44 3.826 6.275 2.427 294 HD12 LEU 44 2HD1 LEU 44 3.430 7.149 0.949 295 HD13 LEU 44 3HD1 LEU 44 4.323 7.956 2.237 296 HD21 LEU 44 1HD2 LEU 44 6.268 6.402 -0.880 297 HD22 LEU 44 2HD2 LEU 44 4.632 7.056 -0.798 298 HD23 LEU 44 3HD2 LEU 44 4.906 5.330 -0.552 299 H GLY 45 H GLY 45 5.287 6.932 4.534 300 HA2 GLY 45 1HA GLY 45 6.943 4.533 5.024 301 HA3 GLY 45 2HA GLY 45 6.007 5.336 6.276 302 H ILE 46 H ILE 46 6.019 2.923 3.899 303 HA ILE 46 HA ILE 46 3.097 2.620 4.062 304 HB ILE 46 HB ILE 46 4.986 1.308 2.106 305 HG12 ILE 46 1HG1 ILE 46 3.068 3.587 1.594 306 HG13 ILE 46 2HG1 ILE 46 4.788 3.813 1.892 307 HG21 ILE 46 1HG2 ILE 46 2.994 0.000 2.464 308 HG22 ILE 46 2HG2 ILE 46 1.978 1.422 2.239 309 HG23 ILE 46 3HG2 ILE 46 2.902 0.776 0.883 310 HD11 ILE 46 1HD1 ILE 46 3.591 3.459 -0.553 311 HD12 ILE 46 2HD1 ILE 46 5.311 3.292 -0.202 312 HD13 ILE 46 3HD1 ILE 46 4.268 1.870 -0.198 313 H THR 47 H THR 47 2.399 1.180 5.482 314 HA THR 47 HA THR 47 3.970 -1.275 5.897 315 HB THR 47 HB THR 47 3.129 -1.216 8.300 316 HG1 THR 47 1HG THR 47 2.770 1.545 7.686 317 HG21 THR 47 1HG2 THR 47 4.861 0.693 8.860 318 HG22 THR 47 2HG2 THR 47 5.218 0.565 7.137 319 HG23 THR 47 3HG2 THR 47 5.393 -0.845 8.182 320 H VAL 48 H VAL 48 2.684 -3.071 6.809 321 HA VAL 48 HA VAL 48 -0.164 -2.895 6.077 322 HB VAL 48 HB VAL 48 1.766 -5.119 5.421 323 HG11 VAL 48 1HG1 VAL 48 0.054 -6.509 5.813 324 HG12 VAL 48 2HG1 VAL 48 -1.121 -5.194 5.879 325 HG13 VAL 48 3HG1 VAL 48 -0.624 -5.857 4.322 326 HG21 VAL 48 1HG2 VAL 48 1.283 -4.661 3.160 327 HG22 VAL 48 2HG2 VAL 48 -0.097 -3.645 3.577 328 HG23 VAL 48 3HG2 VAL 48 1.542 -3.087 3.912 329 H GLU 49 H GLU 49 -1.520 -3.547 7.617 330 HA GLU 49 HA GLU 49 -0.413 -5.071 9.880 331 HB2 GLU 49 1HB GLU 49 -2.660 -3.069 9.722 332 HB3 GLU 49 2HB GLU 49 -2.452 -4.136 11.103 333 HG2 GLU 49 1HG GLU 49 -0.028 -3.180 11.119 334 HG3 GLU 49 2HG GLU 49 -0.751 -1.868 10.190 335 H GLY 50 H GLY 50 -1.372 -6.934 10.549 336 HA2 GLY 50 1HA GLY 50 -3.994 -7.741 9.847 337 HA3 GLY 50 2HA GLY 50 -2.835 -8.472 8.745 338 HA PRO 51 HA PRO 51 -3.329 -11.174 12.517 339 HB2 PRO 51 1HB PRO 51 -3.878 -13.446 11.136 340 HB3 PRO 51 2HB PRO 51 -5.127 -12.297 11.631 341 HG2 PRO 51 1HG PRO 51 -3.787 -12.612 8.972 342 HG3 PRO 51 2HG PRO 51 -5.502 -12.341 9.336 343 HD2 PRO 51 1HD PRO 51 -3.851 -10.350 8.536 344 HD3 PRO 51 2HD PRO 51 -5.208 -10.076 9.647 345 H SER 52 H SER 52 -1.348 -10.921 9.794 346 HA SER 52 HA SER 52 0.749 -12.438 11.106 347 HB2 SER 52 1HB SER 52 1.261 -13.820 9.162 348 HB3 SER 52 2HB SER 52 -0.397 -14.117 9.685 349 HG SER 52 HG SER 52 -1.140 -13.211 7.905 350 H GLU 53 H GLU 53 2.809 -11.781 10.544 351 HA GLU 53 HA GLU 53 3.055 -9.162 9.488 352 HB2 GLU 53 1HB GLU 53 4.951 -11.259 10.442 353 HB3 GLU 53 2HB GLU 53 5.594 -9.924 9.495 354 HG2 GLU 53 1HG GLU 53 5.109 -8.363 11.106 355 HG3 GLU 53 2HG GLU 53 3.825 -9.338 11.817 356 H SER 54 H SER 54 3.176 -8.526 7.447 357 HA SER 54 HA SER 54 3.661 -10.526 5.366 358 HB2 SER 54 1HB SER 54 2.646 -7.686 5.095 359 HB3 SER 54 2HB SER 54 2.697 -8.903 3.820 360 HG SER 54 HG SER 54 1.348 -9.536 6.180 361 H LYS 55 H LYS 55 5.240 -10.304 3.802 362 HA LYS 55 HA LYS 55 7.570 -8.814 4.600 363 HB2 LYS 55 1HB LYS 55 6.935 -10.804 2.462 364 HB3 LYS 55 2HB LYS 55 8.371 -9.805 2.288 365 HG2 LYS 55 1HG LYS 55 8.947 -10.594 4.668 366 HG3 LYS 55 2HG LYS 55 7.745 -11.854 4.376 367 HD2 LYS 55 1HD LYS 55 9.121 -12.128 2.128 368 HD3 LYS 55 2HD LYS 55 10.405 -11.426 3.115 369 HE2 LYS 55 1HE LYS 55 9.614 -13.235 4.850 370 HE3 LYS 55 2HE LYS 55 8.983 -14.031 3.408 371 HZ1 LYS 55 1HZ LYS 55 11.426 -14.436 4.265 372 HZ2 LYS 55 2HZ LYS 55 11.740 -13.067 3.323 373 HZ3 LYS 55 3HZ LYS 55 11.054 -14.441 2.615 374 H ILE 56 H ILE 56 7.208 -6.645 4.354 375 HA ILE 56 HA ILE 56 6.217 -5.630 1.811 376 HB ILE 56 HB ILE 56 6.858 -4.318 4.440 377 HG12 ILE 56 1HG1 ILE 56 4.317 -4.299 2.806 378 HG13 ILE 56 2HG1 ILE 56 4.663 -5.512 4.034 379 HG21 ILE 56 1HG2 ILE 56 5.893 -2.242 3.158 380 HG22 ILE 56 2HG2 ILE 56 7.611 -2.629 3.087 381 HG23 ILE 56 3HG2 ILE 56 6.551 -3.077 1.751 382 HD11 ILE 56 1HD1 ILE 56 3.574 -4.120 5.395 383 HD12 ILE 56 2HD1 ILE 56 5.085 -3.209 5.411 384 HD13 ILE 56 3HD1 ILE 56 3.784 -2.742 4.316 385 H ASN 57 H ASN 57 7.372 -4.242 0.458 386 HA ASN 57 HA ASN 57 10.163 -3.692 1.016 387 HB2 ASN 57 1HB ASN 57 9.283 -5.518 -1.222 388 HB3 ASN 57 2HB ASN 57 10.839 -4.693 -1.226 389 HD21 ASN 57 1HD2 ASN 57 9.139 -7.407 -0.232 390 HD22 ASN 57 2HD2 ASN 57 10.325 -8.077 0.831 391 H CYS 58 H CYS 58 10.226 -1.581 0.622 392 HA CYS 58 HA CYS 58 8.611 -0.436 -1.515 393 HB2 CYS 58 1HB CYS 58 10.053 0.636 0.864 394 HB3 CYS 58 2HB CYS 58 9.803 1.717 -0.501 395 HG CYS 58 HG CYS 58 7.844 1.600 1.834 396 H ARG 59 H ARG 59 9.432 0.683 -3.267 397 HA ARG 59 HA ARG 59 12.321 0.351 -3.747 398 HB2 ARG 59 1HB ARG 59 10.647 -1.064 -5.123 399 HB3 ARG 59 2HB ARG 59 10.280 0.444 -5.950 400 HG2 ARG 59 1HG ARG 59 11.894 -0.749 -7.237 401 HG3 ARG 59 2HG ARG 59 12.689 0.653 -6.517 402 HD2 ARG 59 1HD ARG 59 13.747 -0.690 -4.866 403 HD3 ARG 59 2HD ARG 59 12.763 -2.092 -5.285 404 HE ARG 59 HE ARG 59 14.062 -1.590 -7.585 405 HH11 ARG 59 1HH1 ARG 59 15.152 -1.913 -4.295 406 HH12 ARG 59 2HH1 ARG 59 16.709 -2.534 -4.734 407 HH21 ARG 59 1HH2 ARG 59 16.108 -2.407 -8.176 408 HH22 ARG 59 2HH2 ARG 59 17.252 -2.814 -6.942 409 H ASP 60 H ASP 60 13.331 1.957 -5.092 410 HA ASP 60 HA ASP 60 12.026 4.579 -4.837 411 HB2 ASP 60 1HB ASP 60 14.112 4.501 -3.651 412 HB3 ASP 60 2HB ASP 60 14.940 3.807 -5.042 413 H ASN 61 H ASN 61 11.227 5.451 -6.620 414 HA ASN 61 HA ASN 61 12.208 4.522 -9.223 415 HB2 ASN 61 1HB ASN 61 9.635 5.752 -8.289 416 HB3 ASN 61 2HB ASN 61 10.087 5.847 -9.989 417 HD21 ASN 61 1HD2 ASN 61 8.539 4.037 -7.674 418 HD22 ASN 61 2HD2 ASN 61 8.442 2.536 -8.524 419 H LYS 62 H LYS 62 13.538 5.763 -10.351 420 HA LYS 62 HA LYS 62 13.978 8.520 -9.554 421 HB2 LYS 62 1HB LYS 62 15.796 6.782 -10.154 422 HB3 LYS 62 2HB LYS 62 15.366 7.122 -11.825 423 HG2 LYS 62 1HG LYS 62 16.150 9.299 -11.720 424 HG3 LYS 62 2HG LYS 62 16.061 9.351 -9.958 425 HD2 LYS 62 1HD LYS 62 17.976 7.982 -9.727 426 HD3 LYS 62 2HD LYS 62 17.946 7.526 -11.432 427 HE2 LYS 62 1HE LYS 62 19.684 9.108 -11.215 428 HE3 LYS 62 2HE LYS 62 18.336 9.972 -11.952 429 HZ1 LYS 62 1HZ LYS 62 19.457 11.206 -10.143 430 HZ2 LYS 62 2HZ LYS 62 18.947 10.022 -9.049 431 HZ3 LYS 62 3HZ LYS 62 17.805 10.966 -9.865 432 H ASP 63 H ASP 63 11.450 8.150 -10.632 433 HA ASP 63 HA ASP 63 11.675 9.718 -13.107 434 HB2 ASP 63 1HB ASP 63 9.430 8.473 -13.704 435 HB3 ASP 63 2HB ASP 63 10.989 7.736 -14.067 436 H GLY 64 H GLY 64 9.378 8.627 -10.605 437 HA2 GLY 64 1HA GLY 64 8.689 10.902 -9.394 438 HA3 GLY 64 2HA GLY 64 7.835 11.075 -10.921 439 H SER 65 H SER 65 8.362 8.441 -8.571 440 HA SER 65 HA SER 65 5.648 8.307 -7.787 441 HB2 SER 65 1HB SER 65 5.186 6.038 -8.837 442 HB3 SER 65 2HB SER 65 5.156 7.412 -9.941 443 HG SER 65 HG SER 65 6.377 5.496 -10.638 444 H CYS 66 H CYS 66 5.236 6.021 -6.726 445 HA CYS 66 HA CYS 66 7.717 5.062 -5.482 446 HB2 CYS 66 1HB CYS 66 5.257 6.102 -4.102 447 HB3 CYS 66 2HB CYS 66 6.296 4.919 -3.315 448 HG CYS 66 HG CYS 66 8.598 6.629 -3.611 449 H SER 67 H SER 67 7.841 2.907 -5.267 450 HA SER 67 HA SER 67 5.413 1.346 -5.861 451 HB2 SER 67 1HB SER 67 8.250 1.045 -6.728 452 HB3 SER 67 2HB SER 67 7.310 -0.424 -6.467 453 HG SER 67 HG SER 67 6.129 0.016 -8.169 454 H ALA 68 H ALA 68 4.766 -0.157 -4.440 455 HA ALA 68 HA ALA 68 6.622 -1.043 -2.351 456 HB1 ALA 68 1HB ALA 68 4.373 -0.831 -0.884 457 HB2 ALA 68 2HB ALA 68 5.617 0.418 -0.960 458 HB3 ALA 68 3HB ALA 68 4.174 0.548 -1.966 459 H GLU 69 H GLU 69 6.526 -3.171 -1.999 460 HA GLU 69 HA GLU 69 4.140 -4.626 -2.936 461 HB2 GLU 69 1HB GLU 69 5.537 -6.434 -3.688 462 HB3 GLU 69 2HB GLU 69 6.121 -4.943 -4.412 463 HG2 GLU 69 1HG GLU 69 7.926 -4.830 -2.808 464 HG3 GLU 69 2HG GLU 69 7.317 -6.268 -1.990 465 H TYR 70 H TYR 70 3.387 -6.296 -1.677 466 HA TYR 70 HA TYR 70 4.835 -6.927 0.790 467 HB2 TYR 70 1HB TYR 70 2.949 -6.548 2.193 468 HB3 TYR 70 2HB TYR 70 3.130 -5.103 1.204 469 HD1 TYR 70 2HD TYR 70 1.131 -8.167 1.693 470 HD2 TYR 70 1HD TYR 70 1.428 -4.431 -0.323 471 HE1 TYR 70 2HE TYR 70 -1.205 -8.385 0.957 472 HE2 TYR 70 1HE TYR 70 -0.909 -4.639 -1.064 473 HH TYR 70 HH TYR 70 -2.738 -5.890 -1.057 474 H ILE 71 H ILE 71 4.225 -8.923 1.764 475 HA ILE 71 HA ILE 71 2.470 -10.659 0.192 476 HB ILE 71 HB ILE 71 5.277 -11.444 0.984 477 HG12 ILE 71 1HG1 ILE 71 4.178 -11.195 -1.812 478 HG13 ILE 71 2HG1 ILE 71 4.971 -9.850 -0.999 479 HG21 ILE 71 1HG2 ILE 71 4.437 -13.510 0.953 480 HG22 ILE 71 2HG2 ILE 71 2.920 -12.969 0.236 481 HG23 ILE 71 3HG2 ILE 71 4.309 -13.310 -0.795 482 HD11 ILE 71 1HD1 ILE 71 6.686 -12.041 -0.709 483 HD12 ILE 71 2HD1 ILE 71 6.124 -12.070 -2.381 484 HD13 ILE 71 3HD1 ILE 71 6.902 -10.625 -1.737 485 HA PRO 72 HA PRO 72 1.346 -11.331 4.505 486 HB2 PRO 72 1HB PRO 72 -1.016 -12.539 3.928 487 HB3 PRO 72 2HB PRO 72 -0.805 -10.784 3.910 488 HG2 PRO 72 1HG PRO 72 -0.803 -12.716 1.623 489 HG3 PRO 72 2HG PRO 72 -1.572 -11.123 1.741 490 HD2 PRO 72 1HD PRO 72 0.775 -11.515 0.451 491 HD3 PRO 72 2HD PRO 72 0.392 -10.002 1.297 492 H PHE 73 H PHE 73 0.696 -13.295 5.733 493 HA PHE 73 HA PHE 73 1.734 -15.748 4.473 494 HB2 PHE 73 1HB PHE 73 2.159 -14.723 7.282 495 HB3 PHE 73 2HB PHE 73 2.505 -16.381 6.802 496 HD1 PHE 73 1HD PHE 73 3.225 -12.924 5.587 497 HD2 PHE 73 2HD PHE 73 4.683 -16.860 6.292 498 HE1 PHE 73 1HE PHE 73 5.459 -12.230 4.823 499 HE2 PHE 73 2HE PHE 73 6.919 -16.173 5.530 500 HZ PHE 73 HZ PHE 73 7.309 -13.855 4.795 501 H ALA 74 H ALA 74 -0.889 -14.249 5.896 502 HA ALA 74 HA ALA 74 -2.297 -16.791 6.111 503 HB1 ALA 74 1HB ALA 74 -3.236 -15.395 8.328 504 HB2 ALA 74 2HB ALA 74 -2.226 -16.841 8.332 505 HB3 ALA 74 3HB ALA 74 -1.481 -15.244 8.406 506 HA PRO 75 HA PRO 75 -5.469 -14.439 4.160 507 HB2 PRO 75 1HB PRO 75 -7.590 -16.038 4.720 508 HB3 PRO 75 2HB PRO 75 -6.361 -16.457 3.520 509 HG2 PRO 75 1HG PRO 75 -6.636 -17.382 6.354 510 HG3 PRO 75 2HG PRO 75 -6.229 -18.320 4.906 511 HD2 PRO 75 1HD PRO 75 -4.356 -17.480 6.672 512 HD3 PRO 75 2HD PRO 75 -4.025 -17.646 4.935 513 H GLY 76 H GLY 76 -6.836 -12.814 4.694 514 HA2 GLY 76 1HA GLY 76 -8.696 -12.612 6.656 515 HA3 GLY 76 2HA GLY 76 -7.202 -12.218 7.494 516 H ASP 77 H ASP 77 -8.566 -10.190 7.770 517 HA ASP 77 HA ASP 77 -8.535 -8.440 5.438 518 HB2 ASP 77 1HB ASP 77 -9.692 -6.831 6.985 519 HB3 ASP 77 2HB ASP 77 -10.553 -8.346 6.727 520 H TYR 78 H TYR 78 -6.881 -7.147 5.025 521 HA TYR 78 HA TYR 78 -5.069 -6.432 7.235 522 HB2 TYR 78 1HB TYR 78 -4.548 -6.810 4.287 523 HB3 TYR 78 2HB TYR 78 -3.392 -6.036 5.366 524 HD1 TYR 78 1HD TYR 78 -5.365 -9.186 5.018 525 HD2 TYR 78 2HD TYR 78 -1.807 -7.341 6.445 526 HE1 TYR 78 1HE TYR 78 -4.475 -11.394 5.635 527 HE2 TYR 78 2HE TYR 78 -0.906 -9.544 7.065 528 HH TYR 78 HH TYR 78 -1.267 -11.950 6.342 529 H ASP 79 H ASP 79 -4.022 -4.314 7.079 530 HA ASP 79 HA ASP 79 -5.644 -2.324 5.639 531 HB2 ASP 79 1HB ASP 79 -4.983 -2.464 8.544 532 HB3 ASP 79 2HB ASP 79 -5.021 -0.876 7.782 533 H VAL 80 H VAL 80 -4.355 -1.404 4.193 534 HA VAL 80 HA VAL 80 -1.500 -1.318 4.520 535 HB VAL 80 HB VAL 80 -3.251 -0.083 2.389 536 HG11 VAL 80 1HG1 VAL 80 -1.420 0.684 1.324 537 HG12 VAL 80 2HG1 VAL 80 -0.713 0.658 2.941 538 HG13 VAL 80 3HG1 VAL 80 -0.424 -0.681 1.829 539 HG21 VAL 80 1HG2 VAL 80 -1.872 -2.126 1.222 540 HG22 VAL 80 2HG2 VAL 80 -2.195 -2.781 2.827 541 HG23 VAL 80 3HG2 VAL 80 -3.530 -2.234 1.812 542 H ASN 81 H ASN 81 -0.737 0.063 6.010 543 HA ASN 81 HA ASN 81 -1.934 2.681 6.368 544 HB2 ASN 81 1HB ASN 81 0.348 1.266 7.754 545 HB3 ASN 81 2HB ASN 81 -0.151 2.909 8.146 546 HD21 ASN 81 1HD2 ASN 81 -1.110 -0.451 8.146 547 HD22 ASN 81 2HD2 ASN 81 -2.369 -0.291 9.319 548 H ILE 82 H ILE 82 -1.397 4.281 5.046 549 HA ILE 82 HA ILE 82 1.413 4.501 4.182 550 HB ILE 82 HB ILE 82 -0.915 5.489 2.549 551 HG12 ILE 82 1HG1 ILE 82 0.583 2.905 2.097 552 HG13 ILE 82 2HG1 ILE 82 -0.971 2.984 2.920 553 HG21 ILE 82 1HG2 ILE 82 0.975 6.577 1.798 554 HG22 ILE 82 2HG2 ILE 82 2.030 5.208 2.145 555 HG23 ILE 82 3HG2 ILE 82 0.945 5.155 0.756 556 HD11 ILE 82 1HD1 ILE 82 -0.927 4.336 0.333 557 HD12 ILE 82 2HD1 ILE 82 -0.624 2.600 0.255 558 HD13 ILE 82 3HD1 ILE 82 -2.099 3.205 1.009 559 H THR 83 H THR 83 2.327 6.179 5.149 560 HA THR 83 HA THR 83 0.756 8.654 5.451 561 HB THR 83 HB THR 83 2.055 9.138 7.513 562 HG1 THR 83 1HG THR 83 3.094 6.574 6.930 563 HG21 THR 83 1HG2 THR 83 -0.175 7.594 7.246 564 HG22 THR 83 2HG2 THR 83 0.482 8.148 8.786 565 HG23 THR 83 3HG2 THR 83 0.874 6.536 8.189 566 H TYR 84 H TYR 84 1.673 10.472 4.699 567 HA TYR 84 HA TYR 84 4.321 10.247 3.485 568 HB2 TYR 84 1HB TYR 84 2.214 11.158 2.290 569 HB3 TYR 84 2HB TYR 84 2.492 12.622 3.228 570 HD1 TYR 84 1HD TYR 84 4.891 10.315 1.537 571 HD2 TYR 84 2HD TYR 84 3.255 14.237 1.750 572 HE1 TYR 84 1HE TYR 84 6.515 11.077 -0.146 573 HE2 TYR 84 2HE TYR 84 4.873 15.010 0.067 574 HH TYR 84 HH TYR 84 7.572 13.567 -0.686 575 H GLY 85 H GLY 85 5.925 10.683 4.870 576 HA2 GLY 85 1HA GLY 85 7.305 11.954 6.204 577 HA3 GLY 85 2HA GLY 85 6.240 13.319 5.901 578 H GLY 86 H GLY 86 4.089 13.197 7.108 579 HA2 GLY 86 1HA GLY 86 4.182 11.753 9.623 580 HA3 GLY 86 2HA GLY 86 4.359 13.495 9.763 581 H ALA 87 H ALA 87 2.396 12.203 7.223 582 HA ALA 87 HA ALA 87 -0.049 12.656 8.774 583 HB1 ALA 87 1HB ALA 87 0.443 14.771 7.653 584 HB2 ALA 87 2HB ALA 87 0.492 13.939 6.099 585 HB3 ALA 87 3HB ALA 87 -1.018 14.025 7.005 586 H HIS 88 H HIS 88 -1.859 11.529 8.042 587 HA HIS 88 HA HIS 88 -1.246 9.209 6.416 588 HB2 HIS 88 1HB HIS 88 -3.490 10.011 8.220 589 HB3 HIS 88 2HB HIS 88 -3.778 8.758 7.016 590 HD1 HIS 88 1HD HIS 88 -2.703 6.474 7.408 591 HD2 HIS 88 2HD HIS 88 -1.684 9.301 10.277 592 HE1 HIS 88 1HE HIS 88 -1.580 5.185 9.253 593 HE2 HIS 88 2HE HIS 88 -1.049 6.905 11.015 594 H ILE 89 H ILE 89 -1.893 8.860 4.376 595 HA ILE 89 HA ILE 89 -2.952 11.022 2.849 596 HB ILE 89 HB ILE 89 -2.812 9.566 0.940 597 HG12 ILE 89 1HG1 ILE 89 -2.118 7.266 2.761 598 HG13 ILE 89 2HG1 ILE 89 -3.771 7.572 2.239 599 HG21 ILE 89 1HG2 ILE 89 -0.437 8.724 1.217 600 HG22 ILE 89 2HG2 ILE 89 -0.708 10.434 1.549 601 HG23 ILE 89 3HG2 ILE 89 -0.535 9.294 2.883 602 HD11 ILE 89 1HD1 ILE 89 -2.117 5.937 0.950 603 HD12 ILE 89 2HD1 ILE 89 -3.378 6.862 0.134 604 HD13 ILE 89 3HD1 ILE 89 -1.713 7.443 0.127 605 HA PRO 90 HA PRO 90 -7.275 10.269 3.078 606 HB2 PRO 90 1HB PRO 90 -8.059 11.149 0.632 607 HB3 PRO 90 2HB PRO 90 -7.545 12.238 1.926 608 HG2 PRO 90 1HG PRO 90 -5.995 11.228 -0.427 609 HG3 PRO 90 2HG PRO 90 -6.055 12.864 0.254 610 HD2 PRO 90 1HD PRO 90 -4.017 11.153 0.753 611 HD3 PRO 90 2HD PRO 90 -4.568 12.354 1.939 612 H GLY 91 H GLY 91 -7.329 7.989 3.169 613 HA2 GLY 91 1HA GLY 91 -8.844 6.532 1.580 614 HA3 GLY 91 2HA GLY 91 -7.362 6.528 0.635 615 H SER 92 H SER 92 -6.059 6.663 3.500 616 HA SER 92 HA SER 92 -6.006 3.740 3.813 617 HB2 SER 92 1HB SER 92 -3.796 4.249 3.501 618 HB3 SER 92 2HB SER 92 -3.973 5.886 4.133 619 HG SER 92 HG SER 92 -3.739 5.154 6.153 620 HA PRO 93 HA PRO 93 -4.822 2.474 5.429 621 HB2 PRO 93 1HB PRO 93 -6.084 0.429 6.691 622 HB3 PRO 93 2HB PRO 93 -4.862 1.435 7.477 623 HG2 PRO 93 1HG PRO 93 -7.846 1.598 7.648 624 HG3 PRO 93 2HG PRO 93 -6.642 1.740 8.942 625 HD2 PRO 93 1HD PRO 93 -7.833 3.896 7.818 626 HD3 PRO 93 2HD PRO 93 -6.168 3.937 8.432 627 H PHE 94 H PHE 94 -5.139 1.018 3.773 628 HA PHE 94 HA PHE 94 -7.794 1.073 2.541 629 HB2 PHE 94 1HB PHE 94 -5.078 0.339 1.437 630 HB3 PHE 94 2HB PHE 94 -6.577 0.196 0.524 631 HD1 PHE 94 2HD PHE 94 -4.449 2.643 2.329 632 HD2 PHE 94 1HD PHE 94 -7.419 2.014 -0.654 633 HE1 PHE 94 2HE PHE 94 -4.240 4.993 1.631 634 HE2 PHE 94 1HE PHE 94 -7.214 4.363 -1.358 635 HZ PHE 94 HZ PHE 94 -5.624 5.856 -0.214 636 H ARG 95 H ARG 95 -9.094 -0.586 2.916 637 HA ARG 95 HA ARG 95 -8.268 -3.013 4.089 638 HB2 ARG 95 1HB ARG 95 -10.516 -2.292 4.433 639 HB3 ARG 95 2HB ARG 95 -10.820 -2.198 2.704 640 HG2 ARG 95 1HG ARG 95 -11.903 -4.139 3.663 641 HG3 ARG 95 2HG ARG 95 -10.633 -4.630 2.540 642 HD2 ARG 95 1HD ARG 95 -9.249 -5.383 4.226 643 HD3 ARG 95 2HD ARG 95 -10.003 -4.355 5.444 644 HE ARG 95 HE ARG 95 -10.823 -6.996 4.652 645 HH11 ARG 95 1HH1 ARG 95 -11.822 -3.992 6.099 646 HH12 ARG 95 2HH1 ARG 95 -13.137 -4.700 6.976 647 HH21 ARG 95 1HH2 ARG 95 -12.552 -7.941 5.802 648 HH22 ARG 95 2HH2 ARG 95 -13.551 -6.947 6.807 649 H VAL 96 H VAL 96 -7.631 -4.909 3.249 650 HA VAL 96 HA VAL 96 -7.980 -5.395 0.380 651 HB VAL 96 HB VAL 96 -5.331 -5.845 1.751 652 HG11 VAL 96 1HG1 VAL 96 -6.416 -6.293 -0.977 653 HG12 VAL 96 2HG1 VAL 96 -4.732 -5.786 -0.829 654 HG13 VAL 96 3HG1 VAL 96 -5.283 -7.262 -0.035 655 HG21 VAL 96 1HG2 VAL 96 -4.497 -3.854 0.889 656 HG22 VAL 96 2HG2 VAL 96 -5.828 -3.675 -0.255 657 HG23 VAL 96 3HG2 VAL 96 -6.100 -3.396 1.465 658 HA PRO 97 HA PRO 97 -9.230 -9.202 2.456 659 HB2 PRO 97 1HB PRO 97 -10.553 -10.196 0.303 660 HB3 PRO 97 2HB PRO 97 -11.254 -8.990 1.389 661 HG2 PRO 97 1HG PRO 97 -9.955 -8.607 -1.281 662 HG3 PRO 97 2HG PRO 97 -11.430 -7.862 -0.637 663 HD2 PRO 97 1HD PRO 97 -9.048 -6.574 -0.685 664 HD3 PRO 97 2HD PRO 97 -10.257 -6.300 0.586 665 H VAL 98 H VAL 98 -7.461 -10.466 2.693 666 HA VAL 98 HA VAL 98 -5.989 -11.399 0.363 667 HB VAL 98 HB VAL 98 -5.525 -11.830 3.315 668 HG11 VAL 98 1HG1 VAL 98 -3.211 -12.408 1.800 669 HG12 VAL 98 2HG1 VAL 98 -4.166 -13.507 2.798 670 HG13 VAL 98 3HG1 VAL 98 -4.545 -13.314 1.086 671 HG21 VAL 98 1HG2 VAL 98 -4.488 -9.919 1.284 672 HG22 VAL 98 2HG2 VAL 98 -4.898 -9.653 2.978 673 HG23 VAL 98 3HG2 VAL 98 -3.396 -10.473 2.553 674 H LYS 99 H LYS 99 -6.792 -13.086 -0.700 675 HA LYS 99 HA LYS 99 -8.153 -15.209 0.803 676 HB2 LYS 99 1HB LYS 99 -8.121 -14.790 -2.188 677 HB3 LYS 99 2HB LYS 99 -9.169 -15.870 -1.277 678 HG2 LYS 99 1HG LYS 99 -10.474 -14.139 -0.470 679 HG3 LYS 99 2HG LYS 99 -9.221 -12.928 -0.755 680 HD2 LYS 99 1HD LYS 99 -9.575 -13.011 -3.114 681 HD3 LYS 99 2HD LYS 99 -10.631 -14.417 -2.964 682 HE2 LYS 99 1HE LYS 99 -11.245 -11.749 -1.712 683 HE3 LYS 99 2HE LYS 99 -11.786 -12.203 -3.327 684 HZ1 LYS 99 1HZ LYS 99 -13.377 -13.513 -2.503 685 HZ2 LYS 99 2HZ LYS 99 -13.149 -12.675 -1.052 686 HZ3 LYS 99 3HZ LYS 99 -12.380 -14.161 -1.300 687 H ASP 100 H ASP 100 -7.741 -17.444 0.186 688 HA ASP 100 HA ASP 100 -4.897 -17.864 -0.337 689 HB2 ASP 100 1HB ASP 100 -6.835 -20.025 0.443 690 HB3 ASP 100 2HB ASP 100 -5.101 -19.936 0.740 691 H VAL 101 H VAL 101 -4.180 -18.549 -2.239 692 HA VAL 101 HA VAL 101 -5.594 -18.785 -4.542 693 HB VAL 101 HB VAL 101 -3.152 -20.413 -3.823 694 HG11 VAL 101 1HG1 VAL 101 -3.051 -21.176 -5.923 695 HG12 VAL 101 2HG1 VAL 101 -4.756 -20.734 -6.024 696 HG13 VAL 101 3HG1 VAL 101 -3.519 -19.619 -6.607 697 HG21 VAL 101 1HG2 VAL 101 -3.274 -17.806 -5.322 698 HG22 VAL 101 2HG2 VAL 101 -3.001 -17.904 -3.582 699 HG23 VAL 101 3HG2 VAL 101 -1.848 -18.636 -4.699 700 H VAL 102 H VAL 102 -4.644 -21.556 -2.505 701 HA VAL 102 HA VAL 102 -7.117 -22.888 -2.796 702 HB VAL 102 HB VAL 102 -6.244 -23.201 -5.114 703 HG11 VAL 102 1HG1 VAL 102 -3.862 -23.336 -4.555 704 HG12 VAL 102 2HG1 VAL 102 -4.142 -24.881 -3.749 705 HG13 VAL 102 3HG1 VAL 102 -4.390 -24.735 -5.489 706 HG21 VAL 102 1HG2 VAL 102 -7.614 -24.947 -5.002 707 HG22 VAL 102 2HG2 VAL 102 -6.235 -25.942 -4.533 708 HG23 VAL 102 3HG2 VAL 102 -7.242 -25.192 -3.295 709 H ASP 103 H ASP 103 -7.307 -24.474 -1.302 710 HA ASP 103 HA ASP 103 -4.857 -25.233 0.148 711 HB2 ASP 103 1HB ASP 103 -6.259 -25.528 2.133 712 HB3 ASP 103 2HB ASP 103 -6.420 -23.895 1.494 713 HA PRO 104 HA PRO 104 -5.554 -29.418 -1.021 714 HB2 PRO 104 1HB PRO 104 -4.195 -30.656 0.977 715 HB3 PRO 104 2HB PRO 104 -3.392 -29.807 -0.349 716 HG2 PRO 104 1HG PRO 104 -3.950 -28.869 2.438 717 HG3 PRO 104 2HG PRO 104 -2.478 -28.679 1.468 718 HD2 PRO 104 1HD PRO 104 -4.293 -26.692 1.767 719 HD3 PRO 104 2HD PRO 104 -3.338 -26.897 0.285 720 H SER 105 H SER 105 -7.633 -30.059 -0.799 721 HA SER 105 HA SER 105 -8.560 -30.752 1.912 722 HB2 SER 105 1HB SER 105 -10.750 -30.109 1.359 723 HB3 SER 105 2HB SER 105 -9.755 -28.859 0.611 724 HG SER 105 HG SER 105 -11.420 -30.667 -0.546 Start of MODEL 5 1 H1 GLY 1 H GLY 1 12.758 24.556 -12.979 2 HA2 GLY 1 1HA GLY 1 11.805 23.718 -10.915 3 HA3 GLY 1 2HA GLY 1 10.893 22.559 -11.869 4 H SER 2 H SER 2 14.089 23.401 -10.672 5 HA SER 2 HA SER 2 15.021 20.689 -11.322 6 HB2 SER 2 1HB SER 2 16.327 22.752 -12.097 7 HB3 SER 2 2HB SER 2 16.760 22.977 -10.403 8 HG SER 2 HG SER 2 17.391 20.596 -10.654 9 H SER 3 H SER 3 15.472 23.094 -8.722 10 HA SER 3 HA SER 3 14.815 21.127 -6.712 11 HB2 SER 3 1HB SER 3 16.964 21.323 -5.513 12 HB3 SER 3 2HB SER 3 17.176 20.606 -7.110 13 HG SER 3 HG SER 3 18.455 22.651 -6.168 14 H GLY 4 H GLY 4 14.971 22.098 -4.479 15 HA2 GLY 4 1HA GLY 4 15.372 24.631 -3.703 16 HA3 GLY 4 2HA GLY 4 13.866 24.782 -4.595 17 H SER 5 H SER 5 12.380 25.132 -3.056 18 HA SER 5 HA SER 5 11.943 23.000 -1.107 19 HB2 SER 5 1HB SER 5 13.218 24.558 0.197 20 HB3 SER 5 2HB SER 5 12.271 25.921 -0.398 21 HG SER 5 HG SER 5 10.974 23.828 0.946 22 H SER 6 H SER 6 9.914 22.363 -1.324 23 HA SER 6 HA SER 6 7.970 23.897 -2.736 24 HB2 SER 6 1HB SER 6 8.193 21.317 -2.544 25 HB3 SER 6 2HB SER 6 7.295 21.507 -1.038 26 HG SER 6 HG SER 6 5.585 21.574 -2.239 27 H GLY 7 H GLY 7 8.501 23.107 0.670 28 HA2 GLY 7 1HA GLY 7 7.906 24.459 2.490 29 HA3 GLY 7 2HA GLY 7 6.875 25.401 1.423 30 H GLY 8 H GLY 8 7.118 22.458 3.323 31 HA2 GLY 8 1HA GLY 8 5.375 21.524 4.583 32 HA3 GLY 8 2HA GLY 8 4.227 22.496 3.674 33 H CYS 9 H CYS 9 4.147 19.644 4.332 34 HA CYS 9 HA CYS 9 4.359 18.446 1.659 35 HB2 CYS 9 1HB CYS 9 4.317 16.290 2.751 36 HB3 CYS 9 2HB CYS 9 5.528 17.299 3.534 37 HG CYS 9 HG CYS 9 3.466 18.010 5.554 38 H GLN 10 H GLN 10 2.605 17.664 0.601 39 HA GLN 10 HA GLN 10 -0.007 18.156 1.860 40 HB2 GLN 10 1HB GLN 10 0.821 18.109 -1.043 41 HB3 GLN 10 2HB GLN 10 -0.856 18.179 -0.516 42 HG2 GLN 10 1HG GLN 10 -0.447 20.294 0.594 43 HG3 GLN 10 2HG GLN 10 1.257 20.217 0.148 44 HE21 GLN 10 1HE2 GLN 10 -1.889 19.867 -1.467 45 HE22 GLN 10 2HE2 GLN 10 -1.501 20.881 -2.811 46 HA PRO 11 HA PRO 11 0.151 13.589 1.715 47 HB2 PRO 11 1HB PRO 11 -1.502 13.262 3.844 48 HB3 PRO 11 2HB PRO 11 0.234 13.553 4.011 49 HG2 PRO 11 1HG PRO 11 -2.042 15.482 4.254 50 HG3 PRO 11 2HG PRO 11 -0.596 15.323 5.269 51 HD2 PRO 11 1HD PRO 11 -0.827 17.218 3.349 52 HD3 PRO 11 2HD PRO 11 0.729 16.482 3.781 53 H SER 12 H SER 12 -2.137 15.913 1.041 54 HA SER 12 HA SER 12 -4.356 14.052 0.694 55 HB2 SER 12 1HB SER 12 -5.663 16.044 0.090 56 HB3 SER 12 2HB SER 12 -4.830 16.281 1.626 57 HG SER 12 HG SER 12 -4.683 18.067 0.108 58 H ARG 13 H ARG 13 -1.964 15.776 -1.164 59 HA ARG 13 HA ARG 13 -3.202 15.380 -3.709 60 HB2 ARG 13 1HB ARG 13 -0.345 16.042 -2.975 61 HB3 ARG 13 2HB ARG 13 -0.986 16.059 -4.612 62 HG2 ARG 13 1HG ARG 13 -2.378 17.689 -2.562 63 HG3 ARG 13 2HG ARG 13 -0.813 18.250 -3.152 64 HD2 ARG 13 1HD ARG 13 -2.235 19.263 -4.645 65 HD3 ARG 13 2HD ARG 13 -1.859 17.767 -5.498 66 HE ARG 13 HE ARG 13 -4.049 17.149 -5.293 67 HH11 ARG 13 1HH1 ARG 13 -3.379 19.705 -3.026 68 HH12 ARG 13 2HH1 ARG 13 -5.034 19.891 -2.547 69 HH21 ARG 13 1HH2 ARG 13 -6.231 17.386 -4.671 70 HH22 ARG 13 2HH2 ARG 13 -6.655 18.571 -3.483 71 H VAL 14 H VAL 14 -1.630 13.313 -1.583 72 HA VAL 14 HA VAL 14 -0.254 11.632 -3.418 73 HB VAL 14 HB VAL 14 -1.347 10.871 -0.708 74 HG11 VAL 14 1HG1 VAL 14 0.360 9.172 -0.710 75 HG12 VAL 14 2HG1 VAL 14 -0.611 9.011 -2.175 76 HG13 VAL 14 3HG1 VAL 14 0.989 9.751 -2.252 77 HG21 VAL 14 1HG2 VAL 14 1.410 11.918 -1.310 78 HG22 VAL 14 2HG2 VAL 14 0.094 12.942 -0.735 79 HG23 VAL 14 3HG2 VAL 14 0.683 11.616 0.268 80 H GLN 15 H GLN 15 -0.859 9.652 -4.295 81 HA GLN 15 HA GLN 15 -3.669 8.864 -4.042 82 HB2 GLN 15 1HB GLN 15 -2.229 9.305 -6.663 83 HB3 GLN 15 2HB GLN 15 -3.806 8.543 -6.503 84 HG2 GLN 15 1HG GLN 15 -4.627 10.653 -5.448 85 HG3 GLN 15 2HG GLN 15 -3.080 11.388 -5.862 86 HE21 GLN 15 1HE2 GLN 15 -2.490 11.399 -8.148 87 HE22 GLN 15 2HE2 GLN 15 -3.741 11.560 -9.329 88 H ALA 16 H ALA 16 -4.024 6.697 -4.106 89 HA ALA 16 HA ALA 16 -1.747 4.960 -4.782 90 HB1 ALA 16 1HB ALA 16 -2.477 5.408 -2.217 91 HB2 ALA 16 2HB ALA 16 -3.473 4.005 -2.604 92 HB3 ALA 16 3HB ALA 16 -1.722 3.921 -2.788 93 H GLN 17 H GLN 17 -2.255 3.460 -6.232 94 HA GLN 17 HA GLN 17 -4.914 2.276 -6.253 95 HB2 GLN 17 1HB GLN 17 -5.331 2.722 -8.577 96 HB3 GLN 17 2HB GLN 17 -5.019 4.252 -7.770 97 HG2 GLN 17 1HG GLN 17 -2.601 3.950 -8.573 98 HG3 GLN 17 2HG GLN 17 -3.268 2.738 -9.665 99 HE21 GLN 17 1HE2 GLN 17 -3.110 6.109 -8.871 100 HE22 GLN 17 2HE2 GLN 17 -3.823 6.698 -10.330 101 H GLY 18 H GLY 18 -5.034 0.291 -7.427 102 HA2 GLY 18 1HA GLY 18 -3.516 -1.092 -9.021 103 HA3 GLY 18 2HA GLY 18 -2.406 -0.999 -7.662 104 HA PRO 19 HA PRO 19 -5.151 -4.779 -7.283 105 HB2 PRO 19 1HB PRO 19 -3.128 -6.587 -7.191 106 HB3 PRO 19 2HB PRO 19 -3.871 -6.053 -8.703 107 HG2 PRO 19 1HG PRO 19 -1.319 -5.151 -7.424 108 HG3 PRO 19 2HG PRO 19 -1.650 -5.511 -9.128 109 HD2 PRO 19 1HD PRO 19 -1.573 -2.983 -8.162 110 HD3 PRO 19 2HD PRO 19 -2.637 -3.462 -9.500 111 H GLY 20 H GLY 20 -2.004 -4.099 -5.758 112 HA2 GLY 20 1HA GLY 20 -2.372 -5.568 -3.414 113 HA3 GLY 20 2HA GLY 20 -1.344 -4.150 -3.560 114 H LEU 21 H LEU 21 -4.030 -2.791 -4.444 115 HA LEU 21 HA LEU 21 -4.828 -2.127 -1.694 116 HB2 LEU 21 1HB LEU 21 -5.314 -0.541 -4.209 117 HB3 LEU 21 2HB LEU 21 -5.603 -0.016 -2.551 118 HG LEU 21 HG LEU 21 -2.866 -0.643 -3.645 119 HD11 LEU 21 1HD1 LEU 21 -3.049 1.240 -4.822 120 HD12 LEU 21 2HD1 LEU 21 -3.016 2.080 -3.272 121 HD13 LEU 21 3HD1 LEU 21 -4.560 1.688 -4.030 122 HD21 LEU 21 1HD2 LEU 21 -2.275 0.879 -1.670 123 HD22 LEU 21 2HD2 LEU 21 -2.781 -0.773 -1.315 124 HD23 LEU 21 3HD2 LEU 21 -3.916 0.562 -1.107 125 H LYS 22 H LYS 22 -5.949 -3.390 -4.712 126 HA LYS 22 HA LYS 22 -8.752 -3.161 -3.970 127 HB2 LYS 22 1HB LYS 22 -7.741 -2.937 -6.357 128 HB3 LYS 22 2HB LYS 22 -7.733 -4.695 -6.340 129 HG2 LYS 22 1HG LYS 22 -10.243 -3.254 -5.638 130 HG3 LYS 22 2HG LYS 22 -9.757 -3.372 -7.331 131 HD2 LYS 22 1HD LYS 22 -9.911 -5.700 -7.336 132 HD3 LYS 22 2HD LYS 22 -9.831 -5.803 -5.576 133 HE2 LYS 22 1HE LYS 22 -12.068 -6.207 -5.980 134 HE3 LYS 22 2HE LYS 22 -12.062 -4.473 -5.662 135 HZ1 LYS 22 1HZ LYS 22 -11.794 -5.465 -8.422 136 HZ2 LYS 22 2HZ LYS 22 -12.388 -3.979 -7.875 137 HZ3 LYS 22 3HZ LYS 22 -13.323 -5.378 -7.703 138 H GLU 23 H GLU 23 -6.514 -5.808 -4.819 139 HA GLU 23 HA GLU 23 -7.707 -7.477 -2.767 140 HB2 GLU 23 1HB GLU 23 -9.171 -8.273 -4.340 141 HB3 GLU 23 2HB GLU 23 -8.092 -7.918 -5.681 142 HG2 GLU 23 1HG GLU 23 -6.776 -9.855 -5.231 143 HG3 GLU 23 2HG GLU 23 -7.643 -10.157 -3.727 144 H ALA 24 H ALA 24 -6.437 -9.309 -2.227 145 HA ALA 24 HA ALA 24 -3.814 -9.509 -3.517 146 HB1 ALA 24 1HB ALA 24 -2.752 -9.625 -1.239 147 HB2 ALA 24 2HB ALA 24 -3.341 -8.034 -1.720 148 HB3 ALA 24 3HB ALA 24 -4.270 -9.012 -0.584 149 H PHE 25 H PHE 25 -2.567 -11.387 -2.229 150 HA PHE 25 HA PHE 25 -4.414 -13.566 -1.607 151 HB2 PHE 25 1HB PHE 25 -2.396 -13.566 -3.840 152 HB3 PHE 25 2HB PHE 25 -2.934 -15.066 -3.091 153 HD1 PHE 25 1HD PHE 25 -5.331 -15.710 -3.219 154 HD2 PHE 25 2HD PHE 25 -3.743 -12.417 -5.399 155 HE1 PHE 25 1HE PHE 25 -7.298 -15.743 -4.696 156 HE2 PHE 25 2HE PHE 25 -5.708 -12.444 -6.878 157 HZ PHE 25 HZ PHE 25 -7.490 -14.108 -6.528 158 H THR 26 H THR 26 -3.232 -15.502 -0.758 159 HA THR 26 HA THR 26 -1.327 -14.636 1.217 160 HB THR 26 HB THR 26 -1.369 -17.050 1.929 161 HG1 THR 26 1HG THR 26 -2.281 -17.471 -0.445 162 HG21 THR 26 1HG2 THR 26 -4.117 -16.782 2.145 163 HG22 THR 26 2HG2 THR 26 -3.545 -15.123 1.969 164 HG23 THR 26 3HG2 THR 26 -2.916 -16.140 3.265 165 H ASN 27 H ASN 27 0.818 -14.746 1.099 166 HA ASN 27 HA ASN 27 2.924 -15.213 0.378 167 HB2 ASN 27 1HB ASN 27 1.592 -17.773 -0.529 168 HB3 ASN 27 2HB ASN 27 3.332 -17.502 -0.554 169 HD21 ASN 27 1HD2 ASN 27 0.668 -16.993 1.740 170 HD22 ASN 27 2HD2 ASN 27 1.468 -17.720 3.088 171 H LYS 28 H LYS 28 1.101 -13.743 -1.325 172 HA LYS 28 HA LYS 28 2.322 -14.333 -3.941 173 HB2 LYS 28 1HB LYS 28 -0.478 -13.463 -3.271 174 HB3 LYS 28 2HB LYS 28 0.212 -13.160 -4.860 175 HG2 LYS 28 1HG LYS 28 0.757 -15.749 -4.702 176 HG3 LYS 28 2HG LYS 28 -0.625 -15.710 -3.605 177 HD2 LYS 28 1HD LYS 28 -1.710 -16.062 -5.588 178 HD3 LYS 28 2HD LYS 28 -1.693 -14.297 -5.565 179 HE2 LYS 28 1HE LYS 28 0.079 -14.188 -7.103 180 HE3 LYS 28 2HE LYS 28 0.500 -15.883 -6.866 181 HZ1 LYS 28 1HZ LYS 28 -0.742 -16.320 -8.632 182 HZ2 LYS 28 2HZ LYS 28 -1.327 -14.735 -8.708 183 HZ3 LYS 28 3HZ LYS 28 -2.111 -15.879 -7.740 184 HA PRO 29 HA PRO 29 3.995 -10.265 -3.776 185 HB2 PRO 29 1HB PRO 29 4.369 -9.841 -6.432 186 HB3 PRO 29 2HB PRO 29 5.386 -10.929 -5.480 187 HG2 PRO 29 1HG PRO 29 3.086 -11.578 -7.282 188 HG3 PRO 29 2HG PRO 29 4.651 -12.397 -7.126 189 HD2 PRO 29 1HD PRO 29 2.392 -13.337 -5.965 190 HD3 PRO 29 2HD PRO 29 3.999 -13.555 -5.242 191 H ASN 30 H ASN 30 2.548 -8.753 -3.136 192 HA ASN 30 HA ASN 30 0.582 -7.815 -5.120 193 HB2 ASN 30 1HB ASN 30 0.322 -7.231 -2.191 194 HB3 ASN 30 2HB ASN 30 -0.935 -7.342 -3.420 195 HD21 ASN 30 1HD2 ASN 30 0.946 -9.025 -1.103 196 HD22 ASN 30 2HD2 ASN 30 0.201 -10.572 -1.293 197 H VAL 31 H VAL 31 1.127 -5.955 -6.030 198 HA VAL 31 HA VAL 31 2.545 -3.950 -4.399 199 HB VAL 31 HB VAL 31 3.753 -3.198 -6.332 200 HG11 VAL 31 1HG1 VAL 31 4.494 -5.277 -5.032 201 HG12 VAL 31 2HG1 VAL 31 3.977 -6.188 -6.452 202 HG13 VAL 31 3HG1 VAL 31 5.250 -4.975 -6.596 203 HG21 VAL 31 1HG2 VAL 31 2.449 -5.364 -7.963 204 HG22 VAL 31 2HG2 VAL 31 1.859 -3.702 -7.930 205 HG23 VAL 31 3HG2 VAL 31 3.483 -4.049 -8.525 206 H PHE 32 H PHE 32 2.341 -1.699 -5.451 207 HA PHE 32 HA PHE 32 -0.119 -1.216 -6.882 208 HB2 PHE 32 1HB PHE 32 -0.913 0.398 -5.059 209 HB3 PHE 32 2HB PHE 32 -1.139 -1.322 -4.757 210 HD1 PHE 32 2HD PHE 32 0.300 -2.497 -3.149 211 HD2 PHE 32 1HD PHE 32 0.546 1.714 -3.718 212 HE1 PHE 32 2HE PHE 32 1.524 -2.285 -1.025 213 HE2 PHE 32 1HE PHE 32 1.770 1.933 -1.595 214 HZ PHE 32 HZ PHE 32 2.260 -0.068 -0.245 215 H THR 33 H THR 33 -0.325 0.961 -7.615 216 HA THR 33 HA THR 33 2.257 2.283 -7.874 217 HB THR 33 HB THR 33 -0.354 2.995 -9.221 218 HG1 THR 33 1HG THR 33 0.313 1.697 -10.889 219 HG21 THR 33 1HG2 THR 33 2.505 3.830 -9.633 220 HG22 THR 33 2HG2 THR 33 1.086 4.848 -9.387 221 HG23 THR 33 3HG2 THR 33 1.297 3.980 -10.907 222 H VAL 34 H VAL 34 2.823 3.978 -6.688 223 HA VAL 34 HA VAL 34 0.698 5.547 -5.376 224 HB VAL 34 HB VAL 34 3.512 5.048 -4.394 225 HG11 VAL 34 1HG1 VAL 34 3.260 6.838 -3.107 226 HG12 VAL 34 2HG1 VAL 34 1.667 7.137 -3.805 227 HG13 VAL 34 3HG1 VAL 34 1.829 6.107 -2.382 228 HG21 VAL 34 1HG2 VAL 34 0.839 3.960 -3.546 229 HG22 VAL 34 2HG2 VAL 34 2.269 3.064 -4.060 230 HG23 VAL 34 3HG2 VAL 34 2.265 3.905 -2.510 231 H VAL 35 H VAL 35 0.469 7.470 -6.298 232 HA VAL 35 HA VAL 35 2.749 8.730 -7.624 233 HB VAL 35 HB VAL 35 -0.179 9.474 -7.643 234 HG11 VAL 35 1HG1 VAL 35 1.300 10.623 -9.789 235 HG12 VAL 35 2HG1 VAL 35 0.390 11.434 -8.513 236 HG13 VAL 35 3HG1 VAL 35 2.092 11.039 -8.269 237 HG21 VAL 35 1HG2 VAL 35 0.793 7.343 -8.849 238 HG22 VAL 35 2HG2 VAL 35 -0.397 8.375 -9.641 239 HG23 VAL 35 3HG2 VAL 35 1.313 8.534 -10.041 240 H THR 36 H THR 36 3.841 10.354 -6.740 241 HA THR 36 HA THR 36 2.552 11.969 -4.649 242 HB THR 36 HB THR 36 4.766 12.028 -3.445 243 HG1 THR 36 1HG THR 36 6.288 11.201 -4.716 244 HG21 THR 36 1HG2 THR 36 2.687 10.195 -3.293 245 HG22 THR 36 2HG2 THR 36 3.926 10.477 -2.071 246 HG23 THR 36 3HG2 THR 36 4.141 9.200 -3.267 247 H ARG 37 H ARG 37 2.916 12.590 -7.413 248 HA ARG 37 HA ARG 37 5.198 14.303 -7.699 249 HB2 ARG 37 1HB ARG 37 4.122 14.977 -9.828 250 HB3 ARG 37 2HB ARG 37 4.274 13.233 -9.661 251 HG2 ARG 37 1HG ARG 37 1.979 12.959 -9.262 252 HG3 ARG 37 2HG ARG 37 1.747 14.679 -8.943 253 HD2 ARG 37 1HD ARG 37 2.131 15.216 -11.252 254 HD3 ARG 37 2HD ARG 37 2.580 13.549 -11.610 255 HE ARG 37 HE ARG 37 -0.033 13.636 -10.548 256 HH11 ARG 37 1HH1 ARG 37 1.761 14.421 -13.427 257 HH12 ARG 37 2HH1 ARG 37 0.406 14.210 -14.486 258 HH21 ARG 37 1HH2 ARG 37 -1.824 13.354 -11.932 259 HH22 ARG 37 2HH2 ARG 37 -1.633 13.604 -13.634 260 H GLY 38 H GLY 38 1.944 14.652 -6.561 261 HA2 GLY 38 1HA GLY 38 2.124 17.578 -6.656 262 HA3 GLY 38 2HA GLY 38 0.682 16.644 -6.285 263 H ALA 39 H ALA 39 2.002 14.917 -4.363 264 HA ALA 39 HA ALA 39 1.479 16.245 -2.006 265 HB1 ALA 39 1HB ALA 39 1.611 14.016 -1.623 266 HB2 ALA 39 2HB ALA 39 2.974 13.794 -2.721 267 HB3 ALA 39 3HB ALA 39 3.239 14.453 -1.106 268 H GLY 40 H GLY 40 4.678 15.707 -3.492 269 HA2 GLY 40 1HA GLY 40 6.103 17.781 -3.493 270 HA3 GLY 40 2HA GLY 40 5.711 17.884 -1.783 271 H ILE 41 H ILE 41 7.580 17.525 -0.756 272 HA ILE 41 HA ILE 41 9.009 15.030 -1.388 273 HB ILE 41 HB ILE 41 10.297 17.640 -0.580 274 HG12 ILE 41 1HG1 ILE 41 10.617 16.162 -3.191 275 HG13 ILE 41 2HG1 ILE 41 9.413 17.426 -2.966 276 HG21 ILE 41 1HG2 ILE 41 11.183 15.051 -0.147 277 HG22 ILE 41 2HG2 ILE 41 12.041 15.564 -1.599 278 HG23 ILE 41 3HG2 ILE 41 12.164 16.516 -0.119 279 HD11 ILE 41 1HD1 ILE 41 11.133 19.046 -2.523 280 HD12 ILE 41 2HD1 ILE 41 12.374 17.794 -2.590 281 HD13 ILE 41 3HD1 ILE 41 11.475 18.222 -4.045 282 H GLY 42 H GLY 42 9.312 13.708 0.292 283 HA2 GLY 42 1HA GLY 42 9.854 14.549 2.933 284 HA3 GLY 42 2HA GLY 42 8.147 14.155 2.791 285 H GLY 43 H GLY 43 8.645 12.496 4.394 286 HA2 GLY 43 1HA GLY 43 10.036 10.165 3.239 287 HA3 GLY 43 2HA GLY 43 9.830 10.459 4.959 288 H LEU 44 H LEU 44 8.684 8.771 2.316 289 HA LEU 44 HA LEU 44 5.951 8.512 3.242 290 HB2 LEU 44 1HB LEU 44 6.244 8.496 0.889 291 HB3 LEU 44 2HB LEU 44 7.503 7.266 0.988 292 HG LEU 44 HG LEU 44 5.817 5.611 1.659 293 HD11 LEU 44 1HD1 LEU 44 4.080 8.014 1.653 294 HD12 LEU 44 2HD1 LEU 44 4.067 6.605 2.713 295 HD13 LEU 44 3HD1 LEU 44 3.382 6.494 1.092 296 HD21 LEU 44 1HD2 LEU 44 5.143 7.101 -0.876 297 HD22 LEU 44 2HD2 LEU 44 4.684 5.439 -0.503 298 HD23 LEU 44 3HD2 LEU 44 6.385 5.862 -0.697 299 H GLY 45 H GLY 45 5.264 7.054 4.665 300 HA2 GLY 45 1HA GLY 45 7.012 4.736 5.218 301 HA3 GLY 45 2HA GLY 45 6.081 5.564 6.457 302 H ILE 46 H ILE 46 6.041 3.197 3.953 303 HA ILE 46 HA ILE 46 3.163 2.762 4.277 304 HB ILE 46 HB ILE 46 5.082 1.454 2.346 305 HG12 ILE 46 1HG1 ILE 46 2.947 3.372 1.516 306 HG13 ILE 46 2HG1 ILE 46 4.433 4.020 2.203 307 HG21 ILE 46 1HG2 ILE 46 2.484 1.257 1.382 308 HG22 ILE 46 2HG2 ILE 46 3.456 -0.039 2.078 309 HG23 ILE 46 3HG2 ILE 46 2.352 0.881 3.099 310 HD11 ILE 46 1HD1 ILE 46 5.018 2.039 0.204 311 HD12 ILE 46 2HD1 ILE 46 3.968 3.303 -0.440 312 HD13 ILE 46 3HD1 ILE 46 5.513 3.729 0.296 313 H THR 47 H THR 47 2.361 1.124 5.428 314 HA THR 47 HA THR 47 4.064 -1.174 6.056 315 HB THR 47 HB THR 47 3.115 -1.065 8.447 316 HG1 THR 47 1HG THR 47 2.551 1.528 7.465 317 HG21 THR 47 1HG2 THR 47 5.451 -0.760 8.102 318 HG22 THR 47 2HG2 THR 47 4.918 0.559 9.144 319 HG23 THR 47 3HG2 THR 47 5.208 0.851 7.430 320 H VAL 48 H VAL 48 2.874 -3.034 6.830 321 HA VAL 48 HA VAL 48 0.027 -2.969 6.065 322 HB VAL 48 HB VAL 48 2.002 -5.219 5.667 323 HG11 VAL 48 1HG1 VAL 48 0.219 -6.518 4.765 324 HG12 VAL 48 2HG1 VAL 48 -0.301 -5.940 6.350 325 HG13 VAL 48 3HG1 VAL 48 -0.906 -5.165 4.885 326 HG21 VAL 48 1HG2 VAL 48 0.499 -3.512 3.685 327 HG22 VAL 48 2HG2 VAL 48 2.227 -3.432 4.026 328 HG23 VAL 48 3HG2 VAL 48 1.541 -4.877 3.283 329 H GLU 49 H GLU 49 -1.418 -3.826 7.455 330 HA GLU 49 HA GLU 49 -0.376 -5.270 9.801 331 HB2 GLU 49 1HB GLU 49 -2.272 -2.954 9.675 332 HB3 GLU 49 2HB GLU 49 -2.413 -4.124 10.979 333 HG2 GLU 49 1HG GLU 49 0.078 -3.696 11.378 334 HG3 GLU 49 2HG GLU 49 -0.143 -2.274 10.360 335 H GLY 50 H GLY 50 -1.431 -7.093 10.360 336 HA2 GLY 50 1HA GLY 50 -4.164 -7.599 9.755 337 HA3 GLY 50 2HA GLY 50 -3.116 -8.408 8.599 338 HA PRO 51 HA PRO 51 -3.753 -11.264 12.185 339 HB2 PRO 51 1HB PRO 51 -4.193 -13.461 10.653 340 HB3 PRO 51 2HB PRO 51 -5.476 -12.334 11.107 341 HG2 PRO 51 1HG PRO 51 -3.935 -12.517 8.547 342 HG3 PRO 51 2HG PRO 51 -5.673 -12.260 8.791 343 HD2 PRO 51 1HD PRO 51 -3.966 -10.236 8.224 344 HD3 PRO 51 2HD PRO 51 -5.405 -10.015 9.239 345 H SER 52 H SER 52 -1.529 -10.804 9.724 346 HA SER 52 HA SER 52 0.475 -12.342 11.100 347 HB2 SER 52 1HB SER 52 1.103 -13.767 9.229 348 HB3 SER 52 2HB SER 52 -0.584 -14.062 9.651 349 HG SER 52 HG SER 52 0.237 -12.292 7.594 350 H GLU 53 H GLU 53 2.619 -11.869 10.383 351 HA GLU 53 HA GLU 53 2.897 -9.196 9.407 352 HB2 GLU 53 1HB GLU 53 4.371 -10.401 11.128 353 HB3 GLU 53 2HB GLU 53 5.145 -11.170 9.750 354 HG2 GLU 53 1HG GLU 53 5.656 -8.899 8.862 355 HG3 GLU 53 2HG GLU 53 5.041 -8.231 10.373 356 H SER 54 H SER 54 3.138 -8.534 7.380 357 HA SER 54 HA SER 54 3.565 -10.543 5.292 358 HB2 SER 54 1HB SER 54 2.644 -7.668 5.048 359 HB3 SER 54 2HB SER 54 2.711 -8.849 3.739 360 HG SER 54 HG SER 54 1.263 -9.491 6.045 361 H LYS 55 H LYS 55 5.156 -10.337 3.722 362 HA LYS 55 HA LYS 55 7.542 -8.974 4.581 363 HB2 LYS 55 1HB LYS 55 6.834 -10.931 2.455 364 HB3 LYS 55 2HB LYS 55 8.262 -9.937 2.195 365 HG2 LYS 55 1HG LYS 55 8.867 -10.715 4.622 366 HG3 LYS 55 2HG LYS 55 7.755 -12.033 4.247 367 HD2 LYS 55 1HD LYS 55 9.188 -12.103 2.015 368 HD3 LYS 55 2HD LYS 55 10.405 -11.379 3.069 369 HE2 LYS 55 1HE LYS 55 8.914 -13.938 3.643 370 HE3 LYS 55 2HE LYS 55 10.543 -13.846 2.976 371 HZ1 LYS 55 1HZ LYS 55 11.019 -14.068 5.174 372 HZ2 LYS 55 2HZ LYS 55 9.614 -13.284 5.692 373 HZ3 LYS 55 3HZ LYS 55 10.917 -12.381 5.103 374 H ILE 56 H ILE 56 7.261 -6.784 4.389 375 HA ILE 56 HA ILE 56 6.341 -5.664 1.866 376 HB ILE 56 HB ILE 56 7.026 -4.447 4.530 377 HG12 ILE 56 1HG1 ILE 56 4.497 -4.269 2.889 378 HG13 ILE 56 2HG1 ILE 56 4.782 -5.533 4.080 379 HG21 ILE 56 1HG2 ILE 56 6.443 -2.251 3.546 380 HG22 ILE 56 2HG2 ILE 56 7.929 -2.934 2.888 381 HG23 ILE 56 3HG2 ILE 56 6.438 -3.002 1.951 382 HD11 ILE 56 1HD1 ILE 56 4.142 -2.681 4.454 383 HD12 ILE 56 2HD1 ILE 56 3.668 -4.090 5.402 384 HD13 ILE 56 3HD1 ILE 56 5.277 -3.395 5.598 385 H ASN 57 H ASN 57 7.566 -4.309 0.546 386 HA ASN 57 HA ASN 57 10.385 -3.925 1.131 387 HB2 ASN 57 1HB ASN 57 9.366 -5.671 -1.094 388 HB3 ASN 57 2HB ASN 57 10.900 -4.821 -1.252 389 HD21 ASN 57 1HD2 ASN 57 9.399 -7.594 -0.182 390 HD22 ASN 57 2HD2 ASN 57 10.679 -8.233 0.787 391 H CYS 58 H CYS 58 10.602 -1.812 0.823 392 HA CYS 58 HA CYS 58 8.984 -0.410 -1.126 393 HB2 CYS 58 1HB CYS 58 9.960 1.616 -0.199 394 HB3 CYS 58 2HB CYS 58 9.415 0.567 1.104 395 HG CYS 58 HG CYS 58 11.742 0.091 2.202 396 H ARG 59 H ARG 59 9.664 0.474 -3.017 397 HA ARG 59 HA ARG 59 12.495 0.118 -3.741 398 HB2 ARG 59 1HB ARG 59 10.046 -0.800 -5.159 399 HB3 ARG 59 2HB ARG 59 11.368 -0.185 -6.142 400 HG2 ARG 59 1HG ARG 59 12.879 -1.816 -5.067 401 HG3 ARG 59 2HG ARG 59 11.496 -2.469 -4.186 402 HD2 ARG 59 1HD ARG 59 11.298 -2.241 -7.143 403 HD3 ARG 59 2HD ARG 59 12.318 -3.515 -6.475 404 HE ARG 59 HE ARG 59 9.997 -3.788 -5.108 405 HH11 ARG 59 1HH1 ARG 59 10.786 -3.619 -8.494 406 HH12 ARG 59 2HH1 ARG 59 9.462 -4.623 -8.986 407 HH21 ARG 59 1HH2 ARG 59 8.251 -5.111 -5.742 408 HH22 ARG 59 2HH2 ARG 59 8.020 -5.471 -7.420 409 H ASP 60 H ASP 60 13.442 1.776 -4.819 410 HA ASP 60 HA ASP 60 11.886 4.231 -5.060 411 HB2 ASP 60 1HB ASP 60 14.850 3.664 -5.139 412 HB3 ASP 60 2HB ASP 60 14.172 5.253 -5.481 413 H ASN 61 H ASN 61 11.235 5.060 -6.939 414 HA ASN 61 HA ASN 61 12.181 3.778 -9.409 415 HB2 ASN 61 1HB ASN 61 9.721 5.501 -9.157 416 HB3 ASN 61 2HB ASN 61 10.108 4.328 -10.412 417 HD21 ASN 61 1HD2 ASN 61 7.976 4.770 -8.174 418 HD22 ASN 61 2HD2 ASN 61 7.764 3.173 -7.548 419 H LYS 62 H LYS 62 13.420 4.889 -10.764 420 HA LYS 62 HA LYS 62 13.971 7.684 -10.240 421 HB2 LYS 62 1HB LYS 62 15.170 5.582 -12.011 422 HB3 LYS 62 2HB LYS 62 15.541 7.279 -12.290 423 HG2 LYS 62 1HG LYS 62 15.904 5.997 -9.603 424 HG3 LYS 62 2HG LYS 62 17.155 5.945 -10.848 425 HD2 LYS 62 1HD LYS 62 15.905 8.542 -10.013 426 HD3 LYS 62 2HD LYS 62 17.237 7.835 -9.095 427 HE2 LYS 62 1HE LYS 62 18.545 7.745 -11.225 428 HE3 LYS 62 2HE LYS 62 17.241 8.643 -12.000 429 HZ1 LYS 62 1HZ LYS 62 17.690 10.225 -9.947 430 HZ2 LYS 62 2HZ LYS 62 18.554 10.365 -11.394 431 HZ3 LYS 62 3HZ LYS 62 19.237 9.553 -10.077 432 H ASP 63 H ASP 63 11.385 7.506 -10.992 433 HA ASP 63 HA ASP 63 11.423 8.726 -13.666 434 HB2 ASP 63 1HB ASP 63 10.482 6.600 -14.103 435 HB3 ASP 63 2HB ASP 63 9.525 6.632 -12.625 436 H GLY 64 H GLY 64 9.296 8.193 -10.846 437 HA2 GLY 64 1HA GLY 64 9.044 10.686 -9.864 438 HA3 GLY 64 2HA GLY 64 8.004 10.751 -11.279 439 H SER 65 H SER 65 8.554 8.105 -8.977 440 HA SER 65 HA SER 65 6.063 8.466 -7.638 441 HB2 SER 65 1HB SER 65 5.040 6.314 -8.460 442 HB3 SER 65 2HB SER 65 5.082 7.609 -9.656 443 HG SER 65 HG SER 65 6.047 5.194 -9.916 444 H CYS 66 H CYS 66 5.522 6.120 -6.562 445 HA CYS 66 HA CYS 66 8.073 5.037 -5.574 446 HB2 CYS 66 1HB CYS 66 6.948 6.690 -3.989 447 HB3 CYS 66 2HB CYS 66 5.674 5.491 -3.803 448 HG CYS 66 HG CYS 66 8.964 5.043 -2.970 449 H SER 67 H SER 67 8.105 2.861 -5.073 450 HA SER 67 HA SER 67 5.685 1.351 -5.819 451 HB2 SER 67 1HB SER 67 7.889 1.282 -7.290 452 HB3 SER 67 2HB SER 67 8.397 0.118 -6.066 453 HG SER 67 HG SER 67 6.670 -1.172 -6.591 454 H ALA 68 H ALA 68 5.013 -0.266 -4.497 455 HA ALA 68 HA ALA 68 6.716 -1.061 -2.252 456 HB1 ALA 68 1HB ALA 68 4.669 -0.861 -0.751 457 HB2 ALA 68 2HB ALA 68 5.474 0.639 -1.213 458 HB3 ALA 68 3HB ALA 68 3.981 0.156 -2.017 459 H GLU 69 H GLU 69 6.725 -3.197 -2.025 460 HA GLU 69 HA GLU 69 4.422 -4.723 -3.053 461 HB2 GLU 69 1HB GLU 69 5.903 -6.462 -3.778 462 HB3 GLU 69 2HB GLU 69 6.496 -4.942 -4.431 463 HG2 GLU 69 1HG GLU 69 8.205 -4.834 -2.728 464 HG3 GLU 69 2HG GLU 69 7.579 -6.299 -1.974 465 H TYR 70 H TYR 70 3.531 -6.219 -1.745 466 HA TYR 70 HA TYR 70 4.950 -6.964 0.714 467 HB2 TYR 70 1HB TYR 70 3.033 -6.555 2.088 468 HB3 TYR 70 2HB TYR 70 3.325 -5.092 1.154 469 HD1 TYR 70 2HD TYR 70 1.175 -8.095 1.401 470 HD2 TYR 70 1HD TYR 70 1.681 -4.236 -0.319 471 HE1 TYR 70 2HE TYR 70 -1.146 -8.158 0.590 472 HE2 TYR 70 1HE TYR 70 -0.639 -4.289 -1.134 473 HH TYR 70 HH TYR 70 -2.726 -5.390 -0.678 474 H ILE 71 H ILE 71 4.241 -8.941 1.672 475 HA ILE 71 HA ILE 71 2.444 -10.601 0.070 476 HB ILE 71 HB ILE 71 5.219 -11.500 0.853 477 HG12 ILE 71 1HG1 ILE 71 4.178 -11.209 -1.954 478 HG13 ILE 71 2HG1 ILE 71 4.919 -9.848 -1.119 479 HG21 ILE 71 1HG2 ILE 71 2.806 -12.913 0.023 480 HG22 ILE 71 2HG2 ILE 71 4.221 -13.302 -0.954 481 HG23 ILE 71 3HG2 ILE 71 4.269 -13.523 0.795 482 HD11 ILE 71 1HD1 ILE 71 6.239 -11.683 -2.635 483 HD12 ILE 71 2HD1 ILE 71 6.977 -10.653 -1.408 484 HD13 ILE 71 3HD1 ILE 71 6.495 -12.300 -1.003 485 HA PRO 72 HA PRO 72 1.288 -11.304 4.365 486 HB2 PRO 72 1HB PRO 72 -1.090 -12.469 3.765 487 HB3 PRO 72 2HB PRO 72 -0.850 -10.718 3.761 488 HG2 PRO 72 1HG PRO 72 -0.866 -12.633 1.460 489 HG3 PRO 72 2HG PRO 72 -1.610 -11.028 1.586 490 HD2 PRO 72 1HD PRO 72 0.739 -11.449 0.306 491 HD3 PRO 72 2HD PRO 72 0.375 -9.936 1.161 492 H PHE 73 H PHE 73 0.585 -13.269 5.570 493 HA PHE 73 HA PHE 73 1.605 -15.726 4.303 494 HB2 PHE 73 1HB PHE 73 2.002 -14.727 7.125 495 HB3 PHE 73 2HB PHE 73 2.322 -16.391 6.644 496 HD1 PHE 73 1HD PHE 73 3.146 -12.931 5.508 497 HD2 PHE 73 2HD PHE 73 4.484 -16.926 6.114 498 HE1 PHE 73 1HE PHE 73 5.405 -12.280 4.784 499 HE2 PHE 73 2HE PHE 73 6.745 -16.282 5.391 500 HZ PHE 73 HZ PHE 73 7.209 -13.956 4.726 501 H ALA 74 H ALA 74 -0.976 -14.192 5.846 502 HA ALA 74 HA ALA 74 -2.441 -16.719 5.966 503 HB1 ALA 74 1HB ALA 74 -2.011 -14.858 8.269 504 HB2 ALA 74 2HB ALA 74 -3.482 -15.825 8.161 505 HB3 ALA 74 3HB ALA 74 -1.908 -16.618 8.218 506 HA PRO 75 HA PRO 75 -5.591 -14.337 4.026 507 HB2 PRO 75 1HB PRO 75 -7.752 -15.854 4.658 508 HB3 PRO 75 2HB PRO 75 -6.553 -16.345 3.455 509 HG2 PRO 75 1HG PRO 75 -6.816 -17.181 6.317 510 HG3 PRO 75 2HG PRO 75 -6.457 -18.171 4.891 511 HD2 PRO 75 1HD PRO 75 -4.536 -17.340 6.609 512 HD3 PRO 75 2HD PRO 75 -4.234 -17.564 4.874 513 H GLY 76 H GLY 76 -7.238 -12.862 4.470 514 HA2 GLY 76 1HA GLY 76 -8.939 -12.498 6.472 515 HA3 GLY 76 2HA GLY 76 -7.431 -12.091 7.278 516 H ASP 77 H ASP 77 -8.677 -10.024 7.538 517 HA ASP 77 HA ASP 77 -8.617 -8.349 5.134 518 HB2 ASP 77 1HB ASP 77 -9.882 -6.717 6.553 519 HB3 ASP 77 2HB ASP 77 -10.708 -8.254 6.317 520 H TYR 78 H TYR 78 -6.737 -7.368 4.787 521 HA TYR 78 HA TYR 78 -5.089 -6.552 7.062 522 HB2 TYR 78 1HB TYR 78 -4.529 -6.843 4.114 523 HB3 TYR 78 2HB TYR 78 -3.398 -6.056 5.209 524 HD1 TYR 78 1HD TYR 78 -5.415 -9.211 5.143 525 HD2 TYR 78 2HD TYR 78 -1.663 -7.373 5.946 526 HE1 TYR 78 1HE TYR 78 -4.475 -11.405 5.736 527 HE2 TYR 78 2HE TYR 78 -0.712 -9.561 6.540 528 HH TYR 78 HH TYR 78 -1.333 -12.083 5.867 529 H ASP 79 H ASP 79 -4.108 -4.428 7.089 530 HA ASP 79 HA ASP 79 -5.677 -2.384 5.664 531 HB2 ASP 79 1HB ASP 79 -5.084 -2.622 8.586 532 HB3 ASP 79 2HB ASP 79 -5.193 -1.017 7.869 533 H VAL 80 H VAL 80 -4.246 -1.625 4.223 534 HA VAL 80 HA VAL 80 -1.442 -1.409 4.780 535 HB VAL 80 HB VAL 80 -2.968 -0.196 2.474 536 HG11 VAL 80 1HG1 VAL 80 -0.320 -1.060 1.849 537 HG12 VAL 80 2HG1 VAL 80 -1.005 0.565 1.772 538 HG13 VAL 80 3HG1 VAL 80 -0.266 -0.013 3.267 539 HG21 VAL 80 1HG2 VAL 80 -2.040 -2.973 2.999 540 HG22 VAL 80 2HG2 VAL 80 -3.484 -2.404 2.162 541 HG23 VAL 80 3HG2 VAL 80 -1.917 -2.344 1.356 542 H ASN 81 H ASN 81 -0.614 0.124 6.029 543 HA ASN 81 HA ASN 81 -1.989 2.686 6.297 544 HB2 ASN 81 1HB ASN 81 0.239 1.369 7.847 545 HB3 ASN 81 2HB ASN 81 -0.226 3.047 8.110 546 HD21 ASN 81 1HD2 ASN 81 -1.743 -0.148 7.814 547 HD22 ASN 81 2HD2 ASN 81 -2.855 0.073 9.118 548 H ILE 82 H ILE 82 -1.403 4.366 5.109 549 HA ILE 82 HA ILE 82 1.401 4.562 4.225 550 HB ILE 82 HB ILE 82 -1.019 5.404 2.625 551 HG12 ILE 82 1HG1 ILE 82 0.922 3.177 2.002 552 HG13 ILE 82 2HG1 ILE 82 -0.597 2.907 2.848 553 HG21 ILE 82 1HG2 ILE 82 0.884 5.508 0.832 554 HG22 ILE 82 2HG2 ILE 82 0.619 6.859 1.933 555 HG23 ILE 82 3HG2 ILE 82 1.922 5.712 2.243 556 HD11 ILE 82 1HD1 ILE 82 -0.819 2.395 0.497 557 HD12 ILE 82 2HD1 ILE 82 -1.813 3.790 0.916 558 HD13 ILE 82 3HD1 ILE 82 -0.283 4.020 0.071 559 H THR 83 H THR 83 2.347 6.260 5.118 560 HA THR 83 HA THR 83 0.771 8.720 5.494 561 HB THR 83 HB THR 83 2.216 9.183 7.506 562 HG1 THR 83 1HG THR 83 3.703 7.774 8.021 563 HG21 THR 83 1HG2 THR 83 0.676 8.244 8.899 564 HG22 THR 83 2HG2 THR 83 0.771 6.666 8.118 565 HG23 THR 83 3HG2 THR 83 -0.158 7.965 7.371 566 H TYR 84 H TYR 84 1.767 10.640 5.007 567 HA TYR 84 HA TYR 84 4.409 10.416 3.726 568 HB2 TYR 84 1HB TYR 84 2.235 11.175 2.452 569 HB3 TYR 84 2HB TYR 84 2.567 12.721 3.224 570 HD1 TYR 84 1HD TYR 84 4.720 10.120 1.609 571 HD2 TYR 84 2HD TYR 84 3.516 14.199 1.734 572 HE1 TYR 84 1HE TYR 84 6.344 10.648 -0.162 573 HE2 TYR 84 2HE TYR 84 5.135 14.738 -0.036 574 HH TYR 84 HH TYR 84 6.774 13.974 -1.328 575 H GLY 85 H GLY 85 5.864 10.956 5.258 576 HA2 GLY 85 1HA GLY 85 7.143 12.483 6.449 577 HA3 GLY 85 2HA GLY 85 5.906 13.697 6.163 578 H GLY 86 H GLY 86 3.788 13.242 7.392 579 HA2 GLY 86 1HA GLY 86 4.047 11.807 9.875 580 HA3 GLY 86 2HA GLY 86 4.136 13.551 10.075 581 H ALA 87 H ALA 87 2.192 12.301 7.512 582 HA ALA 87 HA ALA 87 -0.240 12.582 9.132 583 HB1 ALA 87 1HB ALA 87 -0.906 13.641 6.638 584 HB2 ALA 87 2HB ALA 87 -0.734 14.517 8.159 585 HB3 ALA 87 3HB ALA 87 0.639 14.381 7.061 586 H HIS 88 H HIS 88 -2.165 11.667 8.077 587 HA HIS 88 HA HIS 88 -1.437 9.274 6.554 588 HB2 HIS 88 1HB HIS 88 -3.711 9.996 8.359 589 HB3 HIS 88 2HB HIS 88 -3.952 8.744 7.144 590 HD1 HIS 88 1HD HIS 88 -2.978 6.466 7.616 591 HD2 HIS 88 2HD HIS 88 -1.726 9.350 10.331 592 HE1 HIS 88 1HE HIS 88 -1.785 5.204 9.435 593 HE2 HIS 88 2HE HIS 88 -1.111 6.961 11.108 594 H ILE 89 H ILE 89 -2.014 8.986 4.493 595 HA ILE 89 HA ILE 89 -3.153 11.130 3.009 596 HB ILE 89 HB ILE 89 -2.970 9.699 1.071 597 HG12 ILE 89 1HG1 ILE 89 -1.992 7.397 2.704 598 HG13 ILE 89 2HG1 ILE 89 -3.729 7.646 2.565 599 HG21 ILE 89 1HG2 ILE 89 -0.515 8.839 1.564 600 HG22 ILE 89 2HG2 ILE 89 -0.888 10.555 1.416 601 HG23 ILE 89 3HG2 ILE 89 -0.728 9.822 3.012 602 HD11 ILE 89 1HD1 ILE 89 -2.241 6.187 0.848 603 HD12 ILE 89 2HD1 ILE 89 -3.780 6.947 0.440 604 HD13 ILE 89 3HD1 ILE 89 -2.264 7.749 0.030 605 HA PRO 90 HA PRO 90 -7.448 10.222 3.184 606 HB2 PRO 90 1HB PRO 90 -8.243 11.122 0.749 607 HB3 PRO 90 2HB PRO 90 -7.778 12.203 2.068 608 HG2 PRO 90 1HG PRO 90 -6.175 11.292 -0.291 609 HG3 PRO 90 2HG PRO 90 -6.298 12.912 0.420 610 HD2 PRO 90 1HD PRO 90 -4.205 11.263 0.905 611 HD3 PRO 90 2HD PRO 90 -4.807 12.422 2.108 612 H GLY 91 H GLY 91 -7.370 7.929 3.230 613 HA2 GLY 91 1HA GLY 91 -8.839 6.459 1.588 614 HA3 GLY 91 2HA GLY 91 -7.338 6.515 0.675 615 H SER 92 H SER 92 -6.041 6.635 3.515 616 HA SER 92 HA SER 92 -5.937 3.714 3.811 617 HB2 SER 92 1HB SER 92 -3.737 4.281 3.520 618 HB3 SER 92 2HB SER 92 -3.958 5.903 4.174 619 HG SER 92 HG SER 92 -3.766 5.132 6.198 620 HA PRO 93 HA PRO 93 -4.738 2.457 5.421 621 HB2 PRO 93 1HB PRO 93 -5.963 0.369 6.649 622 HB3 PRO 93 2HB PRO 93 -4.771 1.393 7.457 623 HG2 PRO 93 1HG PRO 93 -7.759 1.486 7.605 624 HG3 PRO 93 2HG PRO 93 -6.569 1.640 8.910 625 HD2 PRO 93 1HD PRO 93 -7.799 3.782 7.802 626 HD3 PRO 93 2HD PRO 93 -6.140 3.853 8.430 627 H PHE 94 H PHE 94 -5.012 0.991 3.759 628 HA PHE 94 HA PHE 94 -7.638 1.039 2.473 629 HB2 PHE 94 1HB PHE 94 -4.909 0.247 1.441 630 HB3 PHE 94 2HB PHE 94 -6.389 0.140 0.494 631 HD1 PHE 94 2HD PHE 94 -3.969 2.415 2.045 632 HD2 PHE 94 1HD PHE 94 -7.432 2.097 -0.410 633 HE1 PHE 94 2HE PHE 94 -3.684 4.757 1.346 634 HE2 PHE 94 1HE PHE 94 -7.152 4.439 -1.113 635 HZ PHE 94 HZ PHE 94 -5.278 5.772 -0.234 636 H ARG 95 H ARG 95 -8.942 -0.566 3.072 637 HA ARG 95 HA ARG 95 -8.042 -3.054 4.094 638 HB2 ARG 95 1HB ARG 95 -10.338 -1.777 4.357 639 HB3 ARG 95 2HB ARG 95 -10.787 -2.742 2.957 640 HG2 ARG 95 1HG ARG 95 -9.641 -3.966 5.446 641 HG3 ARG 95 2HG ARG 95 -11.370 -3.678 5.236 642 HD2 ARG 95 1HD ARG 95 -9.651 -5.304 3.366 643 HD3 ARG 95 2HD ARG 95 -10.675 -5.978 4.633 644 HE ARG 95 HE ARG 95 -12.046 -4.272 2.751 645 HH11 ARG 95 1HH1 ARG 95 -11.041 -7.514 3.524 646 HH12 ARG 95 2HH1 ARG 95 -12.256 -8.265 2.542 647 HH21 ARG 95 1HH2 ARG 95 -13.650 -5.248 1.455 648 HH22 ARG 95 2HH2 ARG 95 -13.738 -6.974 1.365 649 H VAL 96 H VAL 96 -7.471 -4.863 3.077 650 HA VAL 96 HA VAL 96 -8.323 -5.262 0.292 651 HB VAL 96 HB VAL 96 -5.532 -5.906 1.227 652 HG11 VAL 96 1HG1 VAL 96 -6.541 -7.120 -0.735 653 HG12 VAL 96 2HG1 VAL 96 -6.586 -5.566 -1.572 654 HG13 VAL 96 3HG1 VAL 96 -5.042 -6.254 -1.068 655 HG21 VAL 96 1HG2 VAL 96 -5.160 -3.696 1.229 656 HG22 VAL 96 2HG2 VAL 96 -5.255 -3.825 -0.527 657 HG23 VAL 96 3HG2 VAL 96 -6.676 -3.345 0.399 658 HA PRO 97 HA PRO 97 -9.476 -9.177 2.074 659 HB2 PRO 97 1HB PRO 97 -10.452 -10.252 -0.219 660 HB3 PRO 97 2HB PRO 97 -11.340 -9.059 0.737 661 HG2 PRO 97 1HG PRO 97 -9.701 -8.663 -1.737 662 HG3 PRO 97 2HG PRO 97 -11.276 -7.968 -1.316 663 HD2 PRO 97 1HD PRO 97 -8.960 -6.589 -1.062 664 HD3 PRO 97 2HD PRO 97 -10.341 -6.344 0.026 665 H VAL 98 H VAL 98 -7.939 -10.616 2.546 666 HA VAL 98 HA VAL 98 -6.089 -11.483 0.438 667 HB VAL 98 HB VAL 98 -5.899 -11.718 3.442 668 HG11 VAL 98 1HG1 VAL 98 -3.752 -12.745 3.148 669 HG12 VAL 98 2HG1 VAL 98 -4.945 -13.681 2.244 670 HG13 VAL 98 3HG1 VAL 98 -3.861 -12.578 1.395 671 HG21 VAL 98 1HG2 VAL 98 -5.257 -9.568 3.078 672 HG22 VAL 98 2HG2 VAL 98 -3.720 -10.358 2.729 673 HG23 VAL 98 3HG2 VAL 98 -4.783 -9.875 1.407 674 H LYS 99 H LYS 99 -6.842 -13.213 -0.612 675 HA LYS 99 HA LYS 99 -8.243 -15.307 0.886 676 HB2 LYS 99 1HB LYS 99 -7.918 -15.047 -2.107 677 HB3 LYS 99 2HB LYS 99 -9.010 -16.128 -1.251 678 HG2 LYS 99 1HG LYS 99 -10.441 -14.400 -0.638 679 HG3 LYS 99 2HG LYS 99 -9.219 -13.159 -0.929 680 HD2 LYS 99 1HD LYS 99 -9.379 -13.479 -3.304 681 HD3 LYS 99 2HD LYS 99 -10.442 -14.872 -3.090 682 HE2 LYS 99 1HE LYS 99 -12.009 -13.278 -3.529 683 HE3 LYS 99 2HE LYS 99 -11.899 -13.091 -1.780 684 HZ1 LYS 99 1HZ LYS 99 -11.806 -10.989 -3.139 685 HZ2 LYS 99 2HZ LYS 99 -10.269 -11.477 -3.652 686 HZ3 LYS 99 3HZ LYS 99 -10.561 -11.191 -2.010 687 H ASP 100 H ASP 100 -7.767 -17.591 0.183 688 HA ASP 100 HA ASP 100 -4.853 -17.943 0.047 689 HB2 ASP 100 1HB ASP 100 -6.913 -19.987 0.891 690 HB3 ASP 100 2HB ASP 100 -5.167 -20.075 1.109 691 H VAL 101 H VAL 101 -3.939 -18.822 -1.691 692 HA VAL 101 HA VAL 101 -5.616 -19.668 -3.896 693 HB VAL 101 HB VAL 101 -2.603 -19.514 -3.733 694 HG11 VAL 101 1HG1 VAL 101 -3.574 -19.195 -6.367 695 HG12 VAL 101 2HG1 VAL 101 -2.592 -20.509 -5.717 696 HG13 VAL 101 3HG1 VAL 101 -4.352 -20.625 -5.691 697 HG21 VAL 101 1HG2 VAL 101 -2.683 -17.332 -4.264 698 HG22 VAL 101 2HG2 VAL 101 -4.075 -17.536 -5.328 699 HG23 VAL 101 3HG2 VAL 101 -4.309 -17.406 -3.585 700 H VAL 102 H VAL 102 -3.042 -21.079 -1.891 701 HA VAL 102 HA VAL 102 -4.220 -23.707 -2.209 702 HB VAL 102 HB VAL 102 -2.160 -24.782 -2.978 703 HG11 VAL 102 1HG1 VAL 102 -3.206 -22.591 -4.763 704 HG12 VAL 102 2HG1 VAL 102 -2.178 -23.914 -5.317 705 HG13 VAL 102 3HG1 VAL 102 -3.780 -24.255 -4.661 706 HG21 VAL 102 1HG2 VAL 102 -0.418 -23.210 -4.020 707 HG22 VAL 102 2HG2 VAL 102 -1.132 -21.964 -2.997 708 HG23 VAL 102 3HG2 VAL 102 -0.416 -23.400 -2.267 709 H ASP 103 H ASP 103 -3.553 -25.189 -0.636 710 HA ASP 103 HA ASP 103 -1.671 -24.202 1.390 711 HB2 ASP 103 1HB ASP 103 -4.035 -23.723 2.086 712 HB3 ASP 103 2HB ASP 103 -4.336 -25.458 2.067 713 HA PRO 104 HA PRO 104 -0.033 -28.281 1.020 714 HB2 PRO 104 1HB PRO 104 1.484 -28.290 3.271 715 HB3 PRO 104 2HB PRO 104 1.930 -27.392 1.816 716 HG2 PRO 104 1HG PRO 104 0.622 -26.408 4.322 717 HG3 PRO 104 2HG PRO 104 1.920 -25.664 3.372 718 HD2 PRO 104 1HD PRO 104 -0.660 -24.862 3.192 719 HD3 PRO 104 2HD PRO 104 0.457 -24.802 1.813 720 H SER 105 H SER 105 -0.230 -30.346 1.930 721 HA SER 105 HA SER 105 -2.252 -30.543 4.058 722 HB2 SER 105 1HB SER 105 -2.900 -31.521 1.882 723 HB3 SER 105 2HB SER 105 -1.498 -32.589 1.956 724 HG SER 105 HG SER 105 -3.913 -32.752 3.264 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -1.659 39.215 4.737 2 HA2 GLY 1 1HA GLY 1 -1.832 38.446 2.577 3 HA3 GLY 1 2HA GLY 1 -0.405 39.434 2.296 4 H SER 2 H SER 2 -1.341 36.716 1.315 5 HA SER 2 HA SER 2 0.312 34.705 2.348 6 HB2 SER 2 1HB SER 2 -0.051 33.587 0.127 7 HB3 SER 2 2HB SER 2 -1.535 34.118 0.918 8 HG SER 2 HG SER 2 -1.912 35.255 -0.794 9 H SER 3 H SER 3 2.408 35.370 2.669 10 HA SER 3 HA SER 3 3.938 36.123 0.269 11 HB2 SER 3 1HB SER 3 5.581 37.121 1.802 12 HB3 SER 3 2HB SER 3 3.979 37.813 2.057 13 HG SER 3 HG SER 3 4.341 37.279 4.061 14 H GLY 4 H GLY 4 6.201 35.337 0.204 15 HA2 GLY 4 1HA GLY 4 7.657 33.565 0.074 16 HA3 GLY 4 2HA GLY 4 7.236 33.286 1.757 17 H SER 5 H SER 5 6.735 31.227 2.058 18 HA SER 5 HA SER 5 4.779 29.978 0.281 19 HB2 SER 5 1HB SER 5 7.566 28.985 0.789 20 HB3 SER 5 2HB SER 5 6.265 27.835 0.479 21 HG SER 5 HG SER 5 6.875 30.026 -1.215 22 H SER 6 H SER 6 3.236 29.017 1.421 23 HA SER 6 HA SER 6 3.877 27.938 4.075 24 HB2 SER 6 1HB SER 6 1.519 29.726 3.434 25 HB3 SER 6 2HB SER 6 1.758 28.878 4.962 26 HG SER 6 HG SER 6 3.840 30.486 4.036 27 H GLY 7 H GLY 7 2.188 26.449 4.893 28 HA2 GLY 7 1HA GLY 7 0.095 25.247 4.180 29 HA3 GLY 7 2HA GLY 7 0.912 25.025 2.641 30 H GLY 8 H GLY 8 3.434 24.293 3.388 31 HA2 GLY 8 1HA GLY 8 4.702 22.613 4.375 32 HA3 GLY 8 2HA GLY 8 3.311 22.179 5.357 33 H CYS 9 H CYS 9 3.835 19.963 4.924 34 HA CYS 9 HA CYS 9 3.852 18.909 2.287 35 HB2 CYS 9 1HB CYS 9 3.660 16.706 3.413 36 HB3 CYS 9 2HB CYS 9 4.938 17.707 4.091 37 HG CYS 9 HG CYS 9 4.144 17.492 6.513 38 H GLN 10 H GLN 10 2.269 17.569 1.284 39 HA GLN 10 HA GLN 10 -0.478 18.004 2.249 40 HB2 GLN 10 1HB GLN 10 0.655 18.388 -0.503 41 HB3 GLN 10 2HB GLN 10 -1.044 17.987 -0.289 42 HG2 GLN 10 1HG GLN 10 0.206 20.298 1.147 43 HG3 GLN 10 2HG GLN 10 -0.393 20.450 -0.504 44 HE21 GLN 10 1HE2 GLN 10 -2.594 20.338 -0.895 45 HE22 GLN 10 2HE2 GLN 10 -3.767 20.474 0.367 46 HA PRO 11 HA PRO 11 0.045 13.492 1.866 47 HB2 PRO 11 1HB PRO 11 -1.833 12.912 3.739 48 HB3 PRO 11 2HB PRO 11 -0.164 13.327 4.148 49 HG2 PRO 11 1HG PRO 11 -2.608 15.055 4.181 50 HG3 PRO 11 2HG PRO 11 -1.296 14.949 5.370 51 HD2 PRO 11 1HD PRO 11 -1.439 16.931 3.530 52 HD3 PRO 11 2HD PRO 11 0.106 16.293 4.129 53 H SER 12 H SER 12 -2.349 15.668 1.040 54 HA SER 12 HA SER 12 -4.335 13.666 0.306 55 HB2 SER 12 1HB SER 12 -5.771 15.511 -0.248 56 HB3 SER 12 2HB SER 12 -4.982 15.899 1.281 57 HG SER 12 HG SER 12 -3.370 16.970 -0.243 58 H ARG 13 H ARG 13 -1.928 15.737 -1.163 59 HA ARG 13 HA ARG 13 -2.749 15.502 -3.844 60 HB2 ARG 13 1HB ARG 13 0.000 15.945 -2.666 61 HB3 ARG 13 2HB ARG 13 -0.380 16.097 -4.376 62 HG2 ARG 13 1HG ARG 13 -1.749 17.708 -2.241 63 HG3 ARG 13 2HG ARG 13 -0.291 18.243 -3.080 64 HD2 ARG 13 1HD ARG 13 -2.854 17.471 -4.465 65 HD3 ARG 13 2HD ARG 13 -2.427 19.126 -4.034 66 HE ARG 13 HE ARG 13 -0.460 17.740 -5.632 67 HH11 ARG 13 1HH1 ARG 13 -3.275 19.788 -5.625 68 HH12 ARG 13 2HH1 ARG 13 -2.970 20.435 -7.203 69 HH21 ARG 13 1HH2 ARG 13 -0.047 18.583 -7.710 70 HH22 ARG 13 2HH2 ARG 13 -1.134 19.748 -8.389 71 H VAL 14 H VAL 14 -1.280 13.260 -1.713 72 HA VAL 14 HA VAL 14 -0.040 11.625 -3.719 73 HB VAL 14 HB VAL 14 -0.789 10.820 -0.909 74 HG11 VAL 14 1HG1 VAL 14 1.142 9.739 -2.945 75 HG12 VAL 14 2HG1 VAL 14 1.232 9.328 -1.231 76 HG13 VAL 14 3HG1 VAL 14 -0.203 8.907 -2.166 77 HG21 VAL 14 1HG2 VAL 14 1.338 11.594 -0.166 78 HG22 VAL 14 2HG2 VAL 14 1.839 11.984 -1.812 79 HG23 VAL 14 3HG2 VAL 14 0.571 12.927 -1.030 80 H GLN 15 H GLN 15 -0.679 9.415 -4.193 81 HA GLN 15 HA GLN 15 -3.463 8.721 -3.717 82 HB2 GLN 15 1HB GLN 15 -4.186 8.738 -5.901 83 HB3 GLN 15 2HB GLN 15 -3.109 10.129 -5.911 84 HG2 GLN 15 1HG GLN 15 -1.344 8.289 -6.619 85 HG3 GLN 15 2HG GLN 15 -2.799 7.476 -7.191 86 HE21 GLN 15 1HE2 GLN 15 -3.264 7.860 -9.223 87 HE22 GLN 15 2HE2 GLN 15 -2.902 9.301 -10.103 88 H ALA 16 H ALA 16 -3.947 6.514 -4.132 89 HA ALA 16 HA ALA 16 -1.664 4.783 -4.757 90 HB1 ALA 16 1HB ALA 16 -2.336 5.199 -2.174 91 HB2 ALA 16 2HB ALA 16 -3.360 3.815 -2.557 92 HB3 ALA 16 3HB ALA 16 -1.614 3.708 -2.780 93 H GLN 17 H GLN 17 -2.201 3.284 -6.198 94 HA GLN 17 HA GLN 17 -4.863 2.114 -6.192 95 HB2 GLN 17 1HB GLN 17 -5.386 2.636 -8.449 96 HB3 GLN 17 2HB GLN 17 -4.922 4.150 -7.685 97 HG2 GLN 17 1HG GLN 17 -2.651 3.871 -8.656 98 HG3 GLN 17 2HG GLN 17 -3.250 2.461 -9.528 99 HE21 GLN 17 1HE2 GLN 17 -3.784 5.917 -9.056 100 HE22 GLN 17 2HE2 GLN 17 -4.392 6.223 -10.644 101 H GLY 18 H GLY 18 -4.987 0.106 -7.245 102 HA2 GLY 18 1HA GLY 18 -3.524 -1.252 -8.943 103 HA3 GLY 18 2HA GLY 18 -2.370 -1.158 -7.620 104 HA PRO 19 HA PRO 19 -5.049 -4.965 -7.154 105 HB2 PRO 19 1HB PRO 19 -2.992 -6.734 -7.051 106 HB3 PRO 19 2HB PRO 19 -3.752 -6.232 -8.566 107 HG2 PRO 19 1HG PRO 19 -1.212 -5.267 -7.311 108 HG3 PRO 19 2HG PRO 19 -1.544 -5.653 -9.009 109 HD2 PRO 19 1HD PRO 19 -1.510 -3.112 -8.073 110 HD3 PRO 19 2HD PRO 19 -2.572 -3.627 -9.400 111 H GLY 20 H GLY 20 -1.891 -4.252 -5.659 112 HA2 GLY 20 1HA GLY 20 -2.235 -5.685 -3.295 113 HA3 GLY 20 2HA GLY 20 -1.222 -4.259 -3.465 114 H LEU 21 H LEU 21 -3.929 -2.940 -4.348 115 HA LEU 21 HA LEU 21 -4.760 -2.306 -1.597 116 HB2 LEU 21 1HB LEU 21 -5.231 -0.598 -4.023 117 HB3 LEU 21 2HB LEU 21 -5.355 -0.137 -2.326 118 HG LEU 21 HG LEU 21 -2.747 -0.886 -3.631 119 HD11 LEU 21 1HD1 LEU 21 -2.848 1.023 -4.764 120 HD12 LEU 21 2HD1 LEU 21 -2.755 1.853 -3.211 121 HD13 LEU 21 3HD1 LEU 21 -4.326 1.518 -3.939 122 HD21 LEU 21 1HD2 LEU 21 -2.259 -0.961 -1.424 123 HD22 LEU 21 2HD2 LEU 21 -3.617 0.070 -0.974 124 HD23 LEU 21 3HD2 LEU 21 -2.144 0.787 -1.628 125 H LYS 22 H LYS 22 -5.805 -3.446 -4.686 126 HA LYS 22 HA LYS 22 -8.627 -3.158 -4.041 127 HB2 LYS 22 1HB LYS 22 -7.856 -2.768 -6.349 128 HB3 LYS 22 2HB LYS 22 -7.283 -4.428 -6.435 129 HG2 LYS 22 1HG LYS 22 -9.397 -5.299 -6.589 130 HG3 LYS 22 2HG LYS 22 -10.140 -3.924 -5.767 131 HD2 LYS 22 1HD LYS 22 -9.421 -2.572 -7.837 132 HD3 LYS 22 2HD LYS 22 -9.212 -4.144 -8.612 133 HE2 LYS 22 1HE LYS 22 -11.761 -3.426 -7.204 134 HE3 LYS 22 2HE LYS 22 -11.471 -2.933 -8.871 135 HZ1 LYS 22 1HZ LYS 22 -12.443 -4.921 -9.257 136 HZ2 LYS 22 2HZ LYS 22 -11.964 -5.590 -7.779 137 HZ3 LYS 22 3HZ LYS 22 -10.862 -5.489 -9.058 138 H GLU 23 H GLU 23 -6.415 -5.838 -4.850 139 HA GLU 23 HA GLU 23 -7.751 -7.526 -2.904 140 HB2 GLU 23 1HB GLU 23 -9.147 -8.244 -4.576 141 HB3 GLU 23 2HB GLU 23 -7.982 -7.898 -5.846 142 HG2 GLU 23 1HG GLU 23 -6.791 -9.888 -5.437 143 HG3 GLU 23 2HG GLU 23 -7.624 -10.160 -3.908 144 H ALA 24 H ALA 24 -6.501 -9.257 -2.205 145 HA ALA 24 HA ALA 24 -3.868 -9.617 -3.440 146 HB1 ALA 24 1HB ALA 24 -4.372 -8.361 -0.877 147 HB2 ALA 24 2HB ALA 24 -3.317 -9.768 -0.732 148 HB3 ALA 24 3HB ALA 24 -2.884 -8.449 -1.820 149 H PHE 25 H PHE 25 -2.689 -11.483 -2.204 150 HA PHE 25 HA PHE 25 -4.590 -13.546 -1.366 151 HB2 PHE 25 1HB PHE 25 -2.801 -13.631 -3.751 152 HB3 PHE 25 2HB PHE 25 -3.027 -15.115 -2.831 153 HD1 PHE 25 2HD PHE 25 -4.740 -12.529 -4.815 154 HD2 PHE 25 1HD PHE 25 -5.054 -16.337 -2.941 155 HE1 PHE 25 2HE PHE 25 -6.860 -12.932 -5.997 156 HE2 PHE 25 1HE PHE 25 -7.174 -16.747 -4.121 157 HZ PHE 25 HZ PHE 25 -8.081 -15.042 -5.650 158 H THR 26 H THR 26 -3.460 -15.470 -0.440 159 HA THR 26 HA THR 26 -1.464 -14.582 1.424 160 HB THR 26 HB THR 26 -1.577 -16.879 2.327 161 HG1 THR 26 1HG THR 26 -3.068 -18.335 1.360 162 HG21 THR 26 1HG2 THR 26 -4.204 -16.822 2.636 163 HG22 THR 26 2HG2 THR 26 -4.021 -15.235 1.889 164 HG23 THR 26 3HG2 THR 26 -3.165 -15.610 3.385 165 H ASN 27 H ASN 27 0.675 -14.772 1.266 166 HA ASN 27 HA ASN 27 2.746 -15.339 0.517 167 HB2 ASN 27 1HB ASN 27 1.303 -17.869 -0.298 168 HB3 ASN 27 2HB ASN 27 3.051 -17.663 -0.369 169 HD21 ASN 27 1HD2 ASN 27 0.419 -17.099 1.948 170 HD22 ASN 27 2HD2 ASN 27 1.240 -17.786 3.304 171 H LYS 28 H LYS 28 1.056 -13.774 -1.155 172 HA LYS 28 HA LYS 28 2.171 -14.481 -3.786 173 HB2 LYS 28 1HB LYS 28 -0.603 -13.553 -3.096 174 HB3 LYS 28 2HB LYS 28 0.072 -13.264 -4.694 175 HG2 LYS 28 1HG LYS 28 0.580 -15.858 -4.543 176 HG3 LYS 28 2HG LYS 28 -0.780 -15.801 -3.420 177 HD2 LYS 28 1HD LYS 28 -1.906 -16.140 -5.382 178 HD3 LYS 28 2HD LYS 28 -1.868 -14.375 -5.359 179 HE2 LYS 28 1HE LYS 28 -1.229 -15.038 -7.542 180 HE3 LYS 28 2HE LYS 28 0.243 -14.516 -6.725 181 HZ1 LYS 28 1HZ LYS 28 0.077 -17.189 -6.190 182 HZ2 LYS 28 2HZ LYS 28 1.088 -16.463 -7.335 183 HZ3 LYS 28 3HZ LYS 28 -0.418 -17.075 -7.804 184 HA PRO 29 HA PRO 29 3.942 -10.450 -3.707 185 HB2 PRO 29 1HB PRO 29 4.331 -10.101 -6.371 186 HB3 PRO 29 2HB PRO 29 5.322 -11.188 -5.390 187 HG2 PRO 29 1HG PRO 29 3.011 -11.831 -7.181 188 HG3 PRO 29 2HG PRO 29 4.557 -12.680 -7.000 189 HD2 PRO 29 1HD PRO 29 2.276 -13.541 -5.822 190 HD3 PRO 29 2HD PRO 29 3.876 -13.775 -5.090 191 H ASN 30 H ASN 30 2.544 -8.876 -3.117 192 HA ASN 30 HA ASN 30 0.604 -7.945 -5.130 193 HB2 ASN 30 1HB ASN 30 0.322 -7.277 -2.226 194 HB3 ASN 30 2HB ASN 30 -0.923 -7.428 -3.462 195 HD21 ASN 30 1HD2 ASN 30 0.869 -9.009 -1.027 196 HD22 ASN 30 2HD2 ASN 30 0.141 -10.568 -1.182 197 H VAL 31 H VAL 31 1.058 -6.050 -6.017 198 HA VAL 31 HA VAL 31 2.577 -4.078 -4.439 199 HB VAL 31 HB VAL 31 3.737 -3.344 -6.425 200 HG11 VAL 31 1HG1 VAL 31 4.020 -6.322 -6.509 201 HG12 VAL 31 2HG1 VAL 31 5.268 -5.076 -6.592 202 HG13 VAL 31 3HG1 VAL 31 4.466 -5.422 -5.059 203 HG21 VAL 31 1HG2 VAL 31 2.779 -5.585 -8.101 204 HG22 VAL 31 2HG2 VAL 31 1.660 -4.244 -7.854 205 HG23 VAL 31 3HG2 VAL 31 3.250 -3.947 -8.556 206 H PHE 32 H PHE 32 2.381 -1.828 -5.462 207 HA PHE 32 HA PHE 32 -0.056 -1.291 -6.899 208 HB2 PHE 32 1HB PHE 32 -0.899 0.260 -5.058 209 HB3 PHE 32 2HB PHE 32 -1.103 -1.467 -4.783 210 HD1 PHE 32 1HD PHE 32 0.730 1.542 -3.789 211 HD2 PHE 32 2HD PHE 32 0.121 -2.607 -3.058 212 HE1 PHE 32 1HE PHE 32 1.920 1.748 -1.645 213 HE2 PHE 32 2HE PHE 32 1.309 -2.407 -0.913 214 HZ PHE 32 HZ PHE 32 2.210 -0.227 -0.203 215 H THR 33 H THR 33 -0.215 0.880 -7.618 216 HA THR 33 HA THR 33 2.369 2.200 -7.785 217 HB THR 33 HB THR 33 -0.218 3.009 -9.122 218 HG1 THR 33 1HG THR 33 0.781 1.878 -10.951 219 HG21 THR 33 1HG2 THR 33 1.073 4.366 -10.523 220 HG22 THR 33 2HG2 THR 33 2.575 3.554 -10.081 221 HG23 THR 33 3HG2 THR 33 1.779 4.626 -8.929 222 H VAL 34 H VAL 34 2.936 3.946 -6.659 223 HA VAL 34 HA VAL 34 0.819 5.462 -5.274 224 HB VAL 34 HB VAL 34 3.620 4.913 -4.282 225 HG11 VAL 34 1HG1 VAL 34 3.347 6.755 -3.063 226 HG12 VAL 34 2HG1 VAL 34 1.671 6.931 -3.587 227 HG13 VAL 34 3HG1 VAL 34 2.061 5.906 -2.205 228 HG21 VAL 34 1HG2 VAL 34 2.318 2.934 -4.045 229 HG22 VAL 34 2HG2 VAL 34 2.393 3.699 -2.458 230 HG23 VAL 34 3HG2 VAL 34 0.934 3.843 -3.438 231 H VAL 35 H VAL 35 0.601 7.311 -6.372 232 HA VAL 35 HA VAL 35 2.911 8.609 -7.571 233 HB VAL 35 HB VAL 35 -0.003 9.408 -7.596 234 HG11 VAL 35 1HG1 VAL 35 0.552 11.298 -8.638 235 HG12 VAL 35 2HG1 VAL 35 2.209 10.990 -8.115 236 HG13 VAL 35 3HG1 VAL 35 1.674 10.464 -9.712 237 HG21 VAL 35 1HG2 VAL 35 -0.040 8.555 -9.859 238 HG22 VAL 35 2HG2 VAL 35 1.667 8.123 -9.755 239 HG23 VAL 35 3HG2 VAL 35 0.483 7.283 -8.755 240 H THR 36 H THR 36 4.019 10.194 -6.641 241 HA THR 36 HA THR 36 2.752 11.705 -4.451 242 HB THR 36 HB THR 36 4.818 11.769 -3.234 243 HG1 THR 36 1HG THR 36 5.957 10.260 -5.370 244 HG21 THR 36 1HG2 THR 36 4.517 8.914 -4.151 245 HG22 THR 36 2HG2 THR 36 3.359 9.706 -3.082 246 HG23 THR 36 3HG2 THR 36 5.034 9.500 -2.570 247 H ARG 37 H ARG 37 2.635 12.613 -7.046 248 HA ARG 37 HA ARG 37 4.769 14.277 -7.826 249 HB2 ARG 37 1HB ARG 37 3.147 15.351 -9.314 250 HB3 ARG 37 2HB ARG 37 2.999 13.599 -9.372 251 HG2 ARG 37 1HG ARG 37 1.147 13.971 -7.581 252 HG3 ARG 37 2HG ARG 37 1.140 15.620 -8.212 253 HD2 ARG 37 1HD ARG 37 0.895 14.583 -10.513 254 HD3 ARG 37 2HD ARG 37 0.573 13.060 -9.686 255 HE ARG 37 HE ARG 37 -1.540 13.807 -9.294 256 HH11 ARG 37 1HH1 ARG 37 0.521 16.565 -9.807 257 HH12 ARG 37 2HH1 ARG 37 -0.774 17.713 -9.719 258 HH21 ARG 37 1HH2 ARG 37 -3.253 15.308 -9.175 259 HH22 ARG 37 2HH2 ARG 37 -2.920 16.997 -9.358 260 H GLY 38 H GLY 38 5.529 16.025 -6.846 261 HA2 GLY 38 1HA GLY 38 5.639 17.708 -5.242 262 HA3 GLY 38 2HA GLY 38 4.354 18.351 -6.253 263 H ALA 39 H ALA 39 4.287 15.542 -4.095 264 HA ALA 39 HA ALA 39 1.884 16.590 -2.843 265 HB1 ALA 39 1HB ALA 39 2.446 14.234 -1.559 266 HB2 ALA 39 2HB ALA 39 1.422 14.408 -2.986 267 HB3 ALA 39 3HB ALA 39 3.120 13.967 -3.167 268 H GLY 40 H GLY 40 4.426 17.932 -2.340 269 HA2 GLY 40 1HA GLY 40 5.021 19.112 -0.381 270 HA3 GLY 40 2HA GLY 40 4.329 17.816 0.582 271 H ILE 41 H ILE 41 6.745 18.819 1.296 272 HA ILE 41 HA ILE 41 8.768 16.986 0.236 273 HB ILE 41 HB ILE 41 9.119 19.278 2.171 274 HG12 ILE 41 1HG1 ILE 41 9.941 19.246 -0.726 275 HG13 ILE 41 2HG1 ILE 41 8.347 19.803 -0.230 276 HG21 ILE 41 1HG2 ILE 41 10.966 17.300 0.945 277 HG22 ILE 41 2HG2 ILE 41 11.542 18.950 1.169 278 HG23 ILE 41 3HG2 ILE 41 10.982 18.016 2.556 279 HD11 ILE 41 1HD1 ILE 41 9.321 21.556 1.092 280 HD12 ILE 41 2HD1 ILE 41 10.944 20.951 0.760 281 HD13 ILE 41 3HD1 ILE 41 9.970 21.626 -0.546 282 H GLY 42 H GLY 42 8.950 15.084 1.216 283 HA2 GLY 42 1HA GLY 42 9.611 14.763 3.904 284 HA3 GLY 42 2HA GLY 42 7.878 14.506 3.771 285 H GLY 43 H GLY 43 8.781 12.361 4.648 286 HA2 GLY 43 1HA GLY 43 9.751 10.646 2.468 287 HA3 GLY 43 2HA GLY 43 9.801 10.254 4.180 288 H LEU 44 H LEU 44 8.838 8.493 2.227 289 HA LEU 44 HA LEU 44 5.932 8.519 2.690 290 HB2 LEU 44 1HB LEU 44 6.644 8.490 0.341 291 HB3 LEU 44 2HB LEU 44 7.533 6.997 0.637 292 HG LEU 44 HG LEU 44 5.316 5.939 1.230 293 HD11 LEU 44 1HD1 LEU 44 3.430 7.261 -0.058 294 HD12 LEU 44 2HD1 LEU 44 4.419 8.647 0.399 295 HD13 LEU 44 3HD1 LEU 44 3.779 7.573 1.643 296 HD21 LEU 44 1HD2 LEU 44 4.612 6.232 -1.369 297 HD22 LEU 44 2HD2 LEU 44 5.891 5.159 -0.798 298 HD23 LEU 44 3HD2 LEU 44 6.294 6.762 -1.416 299 H GLY 45 H GLY 45 5.262 7.250 4.284 300 HA2 GLY 45 1HA GLY 45 6.846 4.845 4.923 301 HA3 GLY 45 2HA GLY 45 5.836 5.715 6.069 302 H ILE 46 H ILE 46 5.993 3.174 3.816 303 HA ILE 46 HA ILE 46 3.075 2.798 3.946 304 HB ILE 46 HB ILE 46 5.025 1.591 1.980 305 HG12 ILE 46 1HG1 ILE 46 2.947 3.752 1.566 306 HG13 ILE 46 2HG1 ILE 46 4.681 4.032 1.687 307 HG21 ILE 46 1HG2 ILE 46 2.297 1.500 1.146 308 HG22 ILE 46 2HG2 ILE 46 3.419 0.168 1.417 309 HG23 ILE 46 3HG2 ILE 46 2.437 0.778 2.749 310 HD11 ILE 46 1HD1 ILE 46 5.101 3.163 -0.385 311 HD12 ILE 46 2HD1 ILE 46 3.669 2.133 -0.366 312 HD13 ILE 46 3HD1 ILE 46 3.504 3.868 -0.636 313 H THR 47 H THR 47 2.382 1.283 5.287 314 HA THR 47 HA THR 47 4.041 -1.104 5.724 315 HB THR 47 HB THR 47 3.242 -1.066 8.139 316 HG1 THR 47 1HG THR 47 2.982 1.386 8.669 317 HG21 THR 47 1HG2 THR 47 4.955 0.764 8.751 318 HG22 THR 47 2HG2 THR 47 5.214 0.896 7.011 319 HG23 THR 47 3HG2 THR 47 5.518 -0.633 7.835 320 H VAL 48 H VAL 48 2.815 -2.934 6.633 321 HA VAL 48 HA VAL 48 -0.045 -2.822 5.934 322 HB VAL 48 HB VAL 48 1.865 -5.096 5.376 323 HG11 VAL 48 1HG1 VAL 48 -1.057 -4.971 5.571 324 HG12 VAL 48 2HG1 VAL 48 -0.452 -5.709 4.086 325 HG13 VAL 48 3HG1 VAL 48 0.029 -6.357 5.655 326 HG21 VAL 48 1HG2 VAL 48 1.981 -3.139 3.833 327 HG22 VAL 48 2HG2 VAL 48 1.487 -4.642 3.053 328 HG23 VAL 48 3HG2 VAL 48 0.284 -3.411 3.439 329 H GLU 49 H GLU 49 -1.445 -3.786 7.321 330 HA GLU 49 HA GLU 49 -0.305 -5.277 9.589 331 HB2 GLU 49 1HB GLU 49 -2.176 -2.947 9.598 332 HB3 GLU 49 2HB GLU 49 -2.345 -4.174 10.845 333 HG2 GLU 49 1HG GLU 49 -0.050 -3.817 11.542 334 HG3 GLU 49 2HG GLU 49 0.172 -2.632 10.256 335 H GLY 50 H GLY 50 -1.475 -7.012 10.336 336 HA2 GLY 50 1HA GLY 50 -4.171 -7.548 9.729 337 HA3 GLY 50 2HA GLY 50 -3.158 -8.346 8.536 338 HA PRO 51 HA PRO 51 -3.691 -11.281 12.056 339 HB2 PRO 51 1HB PRO 51 -4.028 -13.462 10.474 340 HB3 PRO 51 2HB PRO 51 -5.358 -12.390 10.929 341 HG2 PRO 51 1HG PRO 51 -3.771 -12.468 8.392 342 HG3 PRO 51 2HG PRO 51 -5.520 -12.277 8.612 343 HD2 PRO 51 1HD PRO 51 -3.877 -10.184 8.111 344 HD3 PRO 51 2HD PRO 51 -5.339 -10.033 9.106 345 H SER 52 H SER 52 -1.425 -10.647 9.701 346 HA SER 52 HA SER 52 0.614 -12.118 11.065 347 HB2 SER 52 1HB SER 52 1.295 -13.587 9.281 348 HB3 SER 52 2HB SER 52 -0.416 -13.877 9.595 349 HG SER 52 HG SER 52 0.719 -12.358 7.485 350 H GLU 53 H GLU 53 2.697 -11.440 10.517 351 HA GLU 53 HA GLU 53 2.864 -8.824 9.411 352 HB2 GLU 53 1HB GLU 53 4.348 -9.571 11.213 353 HB3 GLU 53 2HB GLU 53 5.060 -10.769 10.142 354 HG2 GLU 53 1HG GLU 53 5.854 -8.941 8.685 355 HG3 GLU 53 2HG GLU 53 5.222 -7.779 9.849 356 H SER 54 H SER 54 2.871 -8.334 7.329 357 HA SER 54 HA SER 54 3.570 -10.348 5.352 358 HB2 SER 54 1HB SER 54 2.551 -7.524 4.954 359 HB3 SER 54 2HB SER 54 2.675 -8.772 3.713 360 HG SER 54 HG SER 54 0.729 -8.360 5.557 361 H LYS 55 H LYS 55 5.243 -10.202 3.897 362 HA LYS 55 HA LYS 55 7.512 -8.645 4.735 363 HB2 LYS 55 1HB LYS 55 6.997 -10.787 2.734 364 HB3 LYS 55 2HB LYS 55 8.386 -9.744 2.464 365 HG2 LYS 55 1HG LYS 55 8.897 -10.315 4.976 366 HG3 LYS 55 2HG LYS 55 7.887 -11.721 4.628 367 HD2 LYS 55 1HD LYS 55 10.039 -11.021 2.697 368 HD3 LYS 55 2HD LYS 55 10.505 -11.754 4.234 369 HE2 LYS 55 1HE LYS 55 8.808 -13.557 3.748 370 HE3 LYS 55 2HE LYS 55 8.668 -12.877 2.128 371 HZ1 LYS 55 1HZ LYS 55 11.106 -14.024 3.372 372 HZ2 LYS 55 2HZ LYS 55 11.090 -13.227 1.880 373 HZ3 LYS 55 3HZ LYS 55 10.225 -14.667 2.078 374 H ILE 56 H ILE 56 7.215 -6.498 4.352 375 HA ILE 56 HA ILE 56 6.312 -5.610 1.729 376 HB ILE 56 HB ILE 56 6.868 -4.168 4.308 377 HG12 ILE 56 1HG1 ILE 56 4.384 -4.180 2.594 378 HG13 ILE 56 2HG1 ILE 56 4.677 -5.382 3.846 379 HG21 ILE 56 1HG2 ILE 56 7.667 -2.535 2.925 380 HG22 ILE 56 2HG2 ILE 56 6.705 -3.074 1.550 381 HG23 ILE 56 3HG2 ILE 56 5.944 -2.167 2.856 382 HD11 ILE 56 1HD1 ILE 56 3.450 -3.904 5.040 383 HD12 ILE 56 2HD1 ILE 56 5.046 -3.202 5.308 384 HD13 ILE 56 3HD1 ILE 56 3.976 -2.520 4.083 385 H ASN 57 H ASN 57 7.527 -4.326 0.336 386 HA ASN 57 HA ASN 57 10.305 -3.766 0.969 387 HB2 ASN 57 1HB ASN 57 9.475 -5.663 -1.229 388 HB3 ASN 57 2HB ASN 57 11.047 -4.870 -1.194 389 HD21 ASN 57 1HD2 ASN 57 9.369 -7.582 -0.334 390 HD22 ASN 57 2HD2 ASN 57 10.447 -8.209 0.862 391 H CYS 58 H CYS 58 10.411 -1.674 0.489 392 HA CYS 58 HA CYS 58 8.853 -0.579 -1.708 393 HB2 CYS 58 1HB CYS 58 10.339 0.541 0.618 394 HB3 CYS 58 2HB CYS 58 10.152 1.568 -0.798 395 HG CYS 58 HG CYS 58 7.315 1.315 -0.783 396 H ARG 59 H ARG 59 9.682 0.336 -3.550 397 HA ARG 59 HA ARG 59 12.568 -0.055 -4.006 398 HB2 ARG 59 1HB ARG 59 10.752 -1.503 -5.268 399 HB3 ARG 59 2HB ARG 59 10.628 -0.068 -6.276 400 HG2 ARG 59 1HG ARG 59 13.084 -0.206 -6.660 401 HG3 ARG 59 2HG ARG 59 13.079 -1.743 -5.792 402 HD2 ARG 59 1HD ARG 59 11.749 -2.783 -7.430 403 HD3 ARG 59 2HD ARG 59 11.292 -1.242 -8.153 404 HE ARG 59 HE ARG 59 14.112 -1.759 -8.269 405 HH11 ARG 59 1HH1 ARG 59 11.045 -2.312 -9.821 406 HH12 ARG 59 2HH1 ARG 59 11.738 -2.582 -11.386 407 HH21 ARG 59 1HH2 ARG 59 15.036 -2.114 -10.324 408 HH22 ARG 59 2HH2 ARG 59 14.009 -2.470 -11.670 409 H ASP 60 H ASP 60 13.556 1.407 -5.555 410 HA ASP 60 HA ASP 60 12.354 4.078 -5.396 411 HB2 ASP 60 1HB ASP 60 14.686 4.846 -6.007 412 HB3 ASP 60 2HB ASP 60 14.541 4.039 -4.448 413 H ASN 61 H ASN 61 11.276 4.724 -7.131 414 HA ASN 61 HA ASN 61 12.006 3.659 -9.759 415 HB2 ASN 61 1HB ASN 61 9.577 5.314 -9.056 416 HB3 ASN 61 2HB ASN 61 9.831 4.344 -10.504 417 HD21 ASN 61 1HD2 ASN 61 7.817 4.337 -8.245 418 HD22 ASN 61 2HD2 ASN 61 7.760 2.685 -7.742 419 H LYS 62 H LYS 62 13.337 4.827 -10.961 420 HA LYS 62 HA LYS 62 13.743 7.641 -10.446 421 HB2 LYS 62 1HB LYS 62 15.550 5.924 -11.060 422 HB3 LYS 62 2HB LYS 62 14.952 6.062 -12.708 423 HG2 LYS 62 1HG LYS 62 16.698 7.561 -12.690 424 HG3 LYS 62 2HG LYS 62 15.312 8.603 -12.365 425 HD2 LYS 62 1HD LYS 62 16.796 9.311 -10.751 426 HD3 LYS 62 2HD LYS 62 15.885 8.087 -9.865 427 HE2 LYS 62 1HE LYS 62 17.616 6.510 -10.055 428 HE3 LYS 62 2HE LYS 62 18.423 7.425 -11.327 429 HZ1 LYS 62 1HZ LYS 62 19.409 8.787 -9.847 430 HZ2 LYS 62 2HZ LYS 62 19.193 7.480 -8.796 431 HZ3 LYS 62 3HZ LYS 62 18.104 8.775 -8.770 432 H ASP 63 H ASP 63 11.147 7.247 -11.237 433 HA ASP 63 HA ASP 63 11.132 8.492 -13.905 434 HB2 ASP 63 1HB ASP 63 10.161 6.479 -14.458 435 HB3 ASP 63 2HB ASP 63 9.490 6.238 -12.848 436 H GLY 64 H GLY 64 9.247 8.030 -10.918 437 HA2 GLY 64 1HA GLY 64 8.887 10.513 -10.038 438 HA3 GLY 64 2HA GLY 64 7.801 10.511 -11.419 439 H SER 65 H SER 65 8.490 7.912 -9.107 440 HA SER 65 HA SER 65 6.076 8.247 -7.640 441 HB2 SER 65 1HB SER 65 4.952 6.164 -8.424 442 HB3 SER 65 2HB SER 65 5.025 7.416 -9.664 443 HG SER 65 HG SER 65 6.128 4.925 -9.641 444 H CYS 66 H CYS 66 5.592 5.933 -6.521 445 HA CYS 66 HA CYS 66 8.180 4.772 -5.747 446 HB2 CYS 66 1HB CYS 66 7.025 6.518 -4.121 447 HB3 CYS 66 2HB CYS 66 6.060 5.117 -3.673 448 HG CYS 66 HG CYS 66 7.941 5.189 -1.731 449 H SER 67 H SER 67 8.183 2.600 -5.277 450 HA SER 67 HA SER 67 5.652 1.182 -5.796 451 HB2 SER 67 1HB SER 67 7.242 0.759 -7.573 452 HB3 SER 67 2HB SER 67 8.495 0.339 -6.404 453 HG SER 67 HG SER 67 6.937 -1.334 -7.538 454 H ALA 68 H ALA 68 5.001 -0.401 -4.416 455 HA ALA 68 HA ALA 68 6.789 -1.200 -2.239 456 HB1 ALA 68 1HB ALA 68 5.503 -0.437 -0.535 457 HB2 ALA 68 2HB ALA 68 5.073 0.778 -1.739 458 HB3 ALA 68 3HB ALA 68 4.002 -0.592 -1.448 459 H GLU 69 H GLU 69 6.862 -3.342 -2.309 460 HA GLU 69 HA GLU 69 4.449 -4.816 -3.119 461 HB2 GLU 69 1HB GLU 69 5.908 -6.636 -3.763 462 HB3 GLU 69 2HB GLU 69 6.456 -5.151 -4.528 463 HG2 GLU 69 1HG GLU 69 8.100 -4.949 -2.604 464 HG3 GLU 69 2HG GLU 69 7.683 -6.617 -2.218 465 H TYR 70 H TYR 70 3.552 -6.315 -1.802 466 HA TYR 70 HA TYR 70 4.945 -6.993 0.692 467 HB2 TYR 70 1HB TYR 70 3.012 -6.567 2.029 468 HB3 TYR 70 2HB TYR 70 3.282 -5.130 1.050 469 HD1 TYR 70 2HD TYR 70 1.175 -8.143 1.420 470 HD2 TYR 70 1HD TYR 70 1.652 -4.380 -0.508 471 HE1 TYR 70 2HE TYR 70 -1.136 -8.282 0.591 472 HE2 TYR 70 1HE TYR 70 -0.659 -4.508 -1.341 473 HH TYR 70 HH TYR 70 -2.885 -5.874 -0.389 474 H ILE 71 H ILE 71 4.333 -8.979 1.637 475 HA ILE 71 HA ILE 71 2.546 -10.691 0.071 476 HB ILE 71 HB ILE 71 5.365 -11.456 0.838 477 HG12 ILE 71 1HG1 ILE 71 4.214 -11.484 -1.935 478 HG13 ILE 71 2HG1 ILE 71 4.852 -9.991 -1.255 479 HG21 ILE 71 1HG2 ILE 71 4.534 -13.524 0.980 480 HG22 ILE 71 2HG2 ILE 71 2.998 -13.049 0.257 481 HG23 ILE 71 3HG2 ILE 71 4.372 -13.445 -0.774 482 HD11 ILE 71 1HD1 ILE 71 6.835 -11.845 -0.755 483 HD12 ILE 71 2HD1 ILE 71 6.244 -12.267 -2.363 484 HD13 ILE 71 3HD1 ILE 71 6.822 -10.633 -2.036 485 HA PRO 72 HA PRO 72 1.390 -11.326 4.380 486 HB2 PRO 72 1HB PRO 72 -0.985 -12.505 3.797 487 HB3 PRO 72 2HB PRO 72 -0.750 -10.753 3.771 488 HG2 PRO 72 1HG PRO 72 -0.762 -12.697 1.494 489 HG3 PRO 72 2HG PRO 72 -1.510 -11.093 1.599 490 HD2 PRO 72 1HD PRO 72 0.839 -11.524 0.324 491 HD3 PRO 72 2HD PRO 72 0.472 -10.002 1.159 492 H PHE 73 H PHE 73 0.617 -13.298 5.582 493 HA PHE 73 HA PHE 73 1.694 -15.755 4.363 494 HB2 PHE 73 1HB PHE 73 1.980 -14.778 7.209 495 HB3 PHE 73 2HB PHE 73 2.388 -16.410 6.691 496 HD1 PHE 73 2HD PHE 73 3.998 -16.468 4.564 497 HD2 PHE 73 1HD PHE 73 3.680 -13.253 7.334 498 HE1 PHE 73 2HE PHE 73 6.250 -15.705 3.931 499 HE2 PHE 73 1HE PHE 73 5.931 -12.484 6.705 500 HZ PHE 73 HZ PHE 73 7.220 -13.711 5.002 501 H ALA 74 H ALA 74 -0.936 -14.224 5.829 502 HA ALA 74 HA ALA 74 -2.403 -16.747 5.896 503 HB1 ALA 74 1HB ALA 74 -3.436 -16.133 8.082 504 HB2 ALA 74 2HB ALA 74 -1.723 -16.544 8.178 505 HB3 ALA 74 3HB ALA 74 -2.230 -14.855 8.234 506 HA PRO 75 HA PRO 75 -5.483 -14.290 3.930 507 HB2 PRO 75 1HB PRO 75 -7.647 -15.861 4.398 508 HB3 PRO 75 2HB PRO 75 -6.397 -16.274 3.219 509 HG2 PRO 75 1HG PRO 75 -6.758 -17.264 6.021 510 HG3 PRO 75 2HG PRO 75 -6.332 -18.173 4.559 511 HD2 PRO 75 1HD PRO 75 -4.489 -17.413 6.391 512 HD3 PRO 75 2HD PRO 75 -4.118 -17.541 4.660 513 H GLY 76 H GLY 76 -6.944 -12.714 4.438 514 HA2 GLY 76 1HA GLY 76 -8.791 -12.540 6.411 515 HA3 GLY 76 2HA GLY 76 -7.301 -12.113 7.240 516 H ASP 77 H ASP 77 -8.648 -10.100 7.538 517 HA ASP 77 HA ASP 77 -8.679 -8.359 5.193 518 HB2 ASP 77 1HB ASP 77 -9.576 -7.471 7.907 519 HB3 ASP 77 2HB ASP 77 -10.193 -7.014 6.322 520 H TYR 78 H TYR 78 -6.821 -7.367 4.758 521 HA TYR 78 HA TYR 78 -5.074 -6.545 6.959 522 HB2 TYR 78 1HB TYR 78 -4.642 -6.886 3.999 523 HB3 TYR 78 2HB TYR 78 -3.478 -6.038 5.010 524 HD1 TYR 78 1HD TYR 78 -5.347 -9.274 4.907 525 HD2 TYR 78 2HD TYR 78 -1.746 -7.255 5.936 526 HE1 TYR 78 1HE TYR 78 -4.323 -11.425 5.519 527 HE2 TYR 78 2HE TYR 78 -0.712 -9.401 6.549 528 HH TYR 78 HH TYR 78 -1.029 -11.584 6.831 529 H ASP 79 H ASP 79 -3.996 -4.415 6.771 530 HA ASP 79 HA ASP 79 -5.653 -2.389 5.439 531 HB2 ASP 79 1HB ASP 79 -5.040 -2.629 8.345 532 HB3 ASP 79 2HB ASP 79 -5.063 -1.014 7.642 533 H VAL 80 H VAL 80 -4.271 -1.617 3.964 534 HA VAL 80 HA VAL 80 -1.449 -1.416 4.429 535 HB VAL 80 HB VAL 80 -3.067 -0.211 2.180 536 HG11 VAL 80 1HG1 VAL 80 -1.085 0.796 1.812 537 HG12 VAL 80 2HG1 VAL 80 -0.194 -0.360 2.804 538 HG13 VAL 80 3HG1 VAL 80 -0.635 -0.773 1.146 539 HG21 VAL 80 1HG2 VAL 80 -2.297 -2.963 2.766 540 HG22 VAL 80 2HG2 VAL 80 -3.484 -2.338 1.621 541 HG23 VAL 80 3HG2 VAL 80 -1.780 -2.415 1.171 542 H ASN 81 H ASN 81 -0.741 0.049 5.854 543 HA ASN 81 HA ASN 81 -2.035 2.638 6.092 544 HB2 ASN 81 1HB ASN 81 0.257 1.364 7.599 545 HB3 ASN 81 2HB ASN 81 -0.353 2.983 7.930 546 HD21 ASN 81 1HD2 ASN 81 -1.405 -0.383 7.665 547 HD22 ASN 81 2HD2 ASN 81 -2.601 -0.290 8.908 548 H ILE 82 H ILE 82 -1.368 4.433 5.117 549 HA ILE 82 HA ILE 82 1.410 4.591 4.170 550 HB ILE 82 HB ILE 82 -0.958 5.516 2.544 551 HG12 ILE 82 1HG1 ILE 82 0.808 3.223 1.768 552 HG13 ILE 82 2HG1 ILE 82 -0.531 2.948 2.876 553 HG21 ILE 82 1HG2 ILE 82 1.238 5.237 0.897 554 HG22 ILE 82 2HG2 ILE 82 0.601 6.751 1.539 555 HG23 ILE 82 3HG2 ILE 82 1.912 5.920 2.376 556 HD11 ILE 82 1HD1 ILE 82 -0.741 2.725 0.224 557 HD12 ILE 82 2HD1 ILE 82 -2.085 3.193 1.266 558 HD13 ILE 82 3HD1 ILE 82 -1.163 4.428 0.407 559 H THR 83 H THR 83 2.364 6.313 5.005 560 HA THR 83 HA THR 83 0.793 8.772 5.373 561 HB THR 83 HB THR 83 2.083 9.217 7.469 562 HG1 THR 83 1HG THR 83 3.096 7.375 8.438 563 HG21 THR 83 1HG2 THR 83 0.854 7.358 8.805 564 HG22 THR 83 2HG2 THR 83 0.179 6.915 7.237 565 HG23 THR 83 3HG2 THR 83 -0.096 8.530 7.891 566 H TYR 84 H TYR 84 1.792 10.629 4.788 567 HA TYR 84 HA TYR 84 4.488 10.369 3.657 568 HB2 TYR 84 1HB TYR 84 2.462 11.214 2.297 569 HB3 TYR 84 2HB TYR 84 2.643 12.705 3.215 570 HD1 TYR 84 1HD TYR 84 5.180 10.403 1.727 571 HD2 TYR 84 2HD TYR 84 3.499 14.311 1.785 572 HE1 TYR 84 1HE TYR 84 6.904 11.162 0.145 573 HE2 TYR 84 2HE TYR 84 5.217 15.080 0.202 574 HH TYR 84 HH TYR 84 7.988 13.280 -0.520 575 H GLY 85 H GLY 85 5.937 10.797 5.228 576 HA2 GLY 85 1HA GLY 85 7.250 12.205 6.517 577 HA3 GLY 85 2HA GLY 85 6.097 13.498 6.217 578 H GLY 86 H GLY 86 3.904 13.119 7.355 579 HA2 GLY 86 1HA GLY 86 4.029 11.645 9.833 580 HA3 GLY 86 2HA GLY 86 4.144 13.386 10.045 581 H ALA 87 H ALA 87 2.286 12.282 7.378 582 HA ALA 87 HA ALA 87 -0.203 12.631 8.911 583 HB1 ALA 87 1HB ALA 87 0.468 14.670 7.562 584 HB2 ALA 87 2HB ALA 87 0.151 13.699 6.123 585 HB3 ALA 87 3HB ALA 87 -1.150 14.030 7.268 586 H HIS 88 H HIS 88 -2.116 11.722 7.826 587 HA HIS 88 HA HIS 88 -1.400 9.253 6.413 588 HB2 HIS 88 1HB HIS 88 -3.623 10.041 8.237 589 HB3 HIS 88 2HB HIS 88 -3.951 8.811 7.020 590 HD1 HIS 88 1HD HIS 88 -2.846 6.515 7.327 591 HD2 HIS 88 2HD HIS 88 -1.837 9.267 10.272 592 HE1 HIS 88 1HE HIS 88 -1.716 5.181 9.135 593 HE2 HIS 88 2HE HIS 88 -1.191 6.854 10.943 594 H ILE 89 H ILE 89 -1.823 9.048 4.320 595 HA ILE 89 HA ILE 89 -3.016 11.112 2.805 596 HB ILE 89 HB ILE 89 -2.797 9.656 0.891 597 HG12 ILE 89 1HG1 ILE 89 -1.914 7.405 2.679 598 HG13 ILE 89 2HG1 ILE 89 -3.613 7.615 2.268 599 HG21 ILE 89 1HG2 ILE 89 -0.347 8.808 2.238 600 HG22 ILE 89 2HG2 ILE 89 -0.568 9.852 0.835 601 HG23 ILE 89 3HG2 ILE 89 -0.731 10.514 2.461 602 HD11 ILE 89 1HD1 ILE 89 -1.492 6.442 0.735 603 HD12 ILE 89 2HD1 ILE 89 -3.231 6.434 0.440 604 HD13 ILE 89 3HD1 ILE 89 -2.241 7.767 -0.155 605 HA PRO 90 HA PRO 90 -7.305 10.168 2.946 606 HB2 PRO 90 1HB PRO 90 -8.081 11.027 0.490 607 HB3 PRO 90 2HB PRO 90 -7.639 12.131 1.799 608 HG2 PRO 90 1HG PRO 90 -6.002 11.202 -0.529 609 HG3 PRO 90 2HG PRO 90 -6.147 12.831 0.158 610 HD2 PRO 90 1HD PRO 90 -4.046 11.208 0.688 611 HD3 PRO 90 2HD PRO 90 -4.671 12.377 1.869 612 H GLY 91 H GLY 91 -7.411 7.923 3.025 613 HA2 GLY 91 1HA GLY 91 -8.778 6.415 1.377 614 HA3 GLY 91 2HA GLY 91 -7.259 6.452 0.494 615 H SER 92 H SER 92 -6.086 6.623 3.415 616 HA SER 92 HA SER 92 -5.980 3.702 3.742 617 HB2 SER 92 1HB SER 92 -3.769 4.234 3.500 618 HB3 SER 92 2HB SER 92 -3.992 5.881 4.088 619 HG SER 92 HG SER 92 -3.752 5.214 6.114 620 HA PRO 93 HA PRO 93 -4.806 2.480 5.407 621 HB2 PRO 93 1HB PRO 93 -6.055 0.417 6.656 622 HB3 PRO 93 2HB PRO 93 -4.880 1.461 7.466 623 HG2 PRO 93 1HG PRO 93 -7.871 1.554 7.549 624 HG3 PRO 93 2HG PRO 93 -6.709 1.738 8.875 625 HD2 PRO 93 1HD PRO 93 -7.918 3.853 7.694 626 HD3 PRO 93 2HD PRO 93 -6.272 3.940 8.355 627 H PHE 94 H PHE 94 -5.036 1.032 3.739 628 HA PHE 94 HA PHE 94 -7.638 1.026 2.413 629 HB2 PHE 94 1HB PHE 94 -4.889 0.220 1.445 630 HB3 PHE 94 2HB PHE 94 -6.352 0.108 0.472 631 HD1 PHE 94 2HD PHE 94 -4.071 2.450 2.183 632 HD2 PHE 94 1HD PHE 94 -7.248 2.000 -0.614 633 HE1 PHE 94 2HE PHE 94 -3.764 4.783 1.463 634 HE2 PHE 94 1HE PHE 94 -6.945 4.332 -1.339 635 HZ PHE 94 HZ PHE 94 -5.202 5.727 -0.299 636 H ARG 95 H ARG 95 -8.940 -0.566 3.064 637 HA ARG 95 HA ARG 95 -8.031 -3.043 4.106 638 HB2 ARG 95 1HB ARG 95 -10.325 -1.758 4.375 639 HB3 ARG 95 2HB ARG 95 -10.787 -2.747 2.997 640 HG2 ARG 95 1HG ARG 95 -9.737 -3.799 5.616 641 HG3 ARG 95 2HG ARG 95 -11.434 -3.753 5.135 642 HD2 ARG 95 1HD ARG 95 -9.198 -5.365 3.932 643 HD3 ARG 95 2HD ARG 95 -10.676 -5.951 4.696 644 HE ARG 95 HE ARG 95 -10.358 -5.077 1.977 645 HH11 ARG 95 1HH1 ARG 95 -12.608 -5.524 4.595 646 HH12 ARG 95 2HH1 ARG 95 -13.990 -5.655 3.558 647 HH21 ARG 95 1HH2 ARG 95 -12.169 -5.248 0.601 648 HH22 ARG 95 2HH2 ARG 95 -13.739 -5.499 1.286 649 H VAL 96 H VAL 96 -7.447 -4.848 3.094 650 HA VAL 96 HA VAL 96 -8.300 -5.246 0.305 651 HB VAL 96 HB VAL 96 -5.560 -5.998 1.310 652 HG11 VAL 96 1HG1 VAL 96 -6.339 -7.269 -0.601 653 HG12 VAL 96 2HG1 VAL 96 -6.738 -5.779 -1.459 654 HG13 VAL 96 3HG1 VAL 96 -5.055 -6.165 -1.093 655 HG21 VAL 96 1HG2 VAL 96 -6.565 -3.394 0.596 656 HG22 VAL 96 2HG2 VAL 96 -4.978 -3.852 1.213 657 HG23 VAL 96 3HG2 VAL 96 -5.299 -3.905 -0.520 658 HA PRO 97 HA PRO 97 -9.657 -9.098 2.091 659 HB2 PRO 97 1HB PRO 97 -10.679 -10.119 -0.207 660 HB3 PRO 97 2HB PRO 97 -11.511 -8.888 0.750 661 HG2 PRO 97 1HG PRO 97 -9.850 -8.565 -1.720 662 HG3 PRO 97 2HG PRO 97 -11.392 -7.795 -1.299 663 HD2 PRO 97 1HD PRO 97 -9.012 -6.529 -1.037 664 HD3 PRO 97 2HD PRO 97 -10.382 -6.221 0.049 665 H VAL 98 H VAL 98 -7.702 -10.106 2.562 666 HA VAL 98 HA VAL 98 -6.103 -11.247 0.429 667 HB VAL 98 HB VAL 98 -5.797 -11.385 3.431 668 HG11 VAL 98 1HG1 VAL 98 -3.637 -12.380 3.062 669 HG12 VAL 98 2HG1 VAL 98 -4.864 -13.366 2.265 670 HG13 VAL 98 3HG1 VAL 98 -3.847 -12.283 1.314 671 HG21 VAL 98 1HG2 VAL 98 -3.695 -9.996 2.701 672 HG22 VAL 98 2HG2 VAL 98 -4.691 -9.625 1.293 673 HG23 VAL 98 3HG2 VAL 98 -5.261 -9.211 2.909 674 H LYS 99 H LYS 99 -6.936 -13.001 -0.523 675 HA LYS 99 HA LYS 99 -8.316 -15.012 1.089 676 HB2 LYS 99 1HB LYS 99 -7.964 -14.974 -1.909 677 HB3 LYS 99 2HB LYS 99 -9.114 -15.926 -0.979 678 HG2 LYS 99 1HG LYS 99 -10.476 -14.101 -0.551 679 HG3 LYS 99 2HG LYS 99 -9.190 -12.938 -0.883 680 HD2 LYS 99 1HD LYS 99 -9.389 -13.192 -3.188 681 HD3 LYS 99 2HD LYS 99 -10.206 -14.750 -3.044 682 HE2 LYS 99 1HE LYS 99 -12.228 -13.745 -2.382 683 HE3 LYS 99 2HE LYS 99 -11.444 -12.202 -2.043 684 HZ1 LYS 99 1HZ LYS 99 -11.893 -11.567 -4.099 685 HZ2 LYS 99 2HZ LYS 99 -12.636 -13.050 -4.428 686 HZ3 LYS 99 3HZ LYS 99 -10.983 -12.848 -4.725 687 H ASP 100 H ASP 100 -7.876 -17.350 0.370 688 HA ASP 100 HA ASP 100 -4.971 -17.750 0.449 689 HB2 ASP 100 1HB ASP 100 -5.774 -20.165 1.055 690 HB3 ASP 100 2HB ASP 100 -5.854 -18.889 2.267 691 H VAL 101 H VAL 101 -3.951 -18.414 -1.312 692 HA VAL 101 HA VAL 101 -4.975 -18.773 -3.798 693 HB VAL 101 HB VAL 101 -2.608 -20.257 -2.646 694 HG11 VAL 101 1HG1 VAL 101 -3.097 -21.371 -4.640 695 HG12 VAL 101 2HG1 VAL 101 -3.581 -19.885 -5.460 696 HG13 VAL 101 3HG1 VAL 101 -1.879 -20.183 -5.104 697 HG21 VAL 101 1HG2 VAL 101 -1.268 -18.451 -3.496 698 HG22 VAL 101 2HG2 VAL 101 -2.684 -17.681 -4.213 699 HG23 VAL 101 3HG2 VAL 101 -2.528 -17.780 -2.459 700 H VAL 102 H VAL 102 -4.336 -21.402 -1.479 701 HA VAL 102 HA VAL 102 -6.393 -22.995 -2.851 702 HB VAL 102 HB VAL 102 -4.393 -23.987 -3.630 703 HG11 VAL 102 1HG1 VAL 102 -3.410 -23.404 -0.896 704 HG12 VAL 102 2HG1 VAL 102 -2.764 -24.835 -1.701 705 HG13 VAL 102 3HG1 VAL 102 -2.596 -23.248 -2.452 706 HG21 VAL 102 1HG2 VAL 102 -6.151 -25.506 -2.638 707 HG22 VAL 102 2HG2 VAL 102 -4.537 -26.200 -2.798 708 HG23 VAL 102 3HG2 VAL 102 -5.107 -25.648 -1.224 709 H ASP 103 H ASP 103 -7.540 -24.456 -1.544 710 HA ASP 103 HA ASP 103 -7.259 -23.964 1.348 711 HB2 ASP 103 1HB ASP 103 -9.649 -24.314 1.564 712 HB3 ASP 103 2HB ASP 103 -9.351 -23.079 0.344 713 HA PRO 104 HA PRO 104 -6.254 -28.408 0.813 714 HB2 PRO 104 1HB PRO 104 -4.514 -28.477 2.895 715 HB3 PRO 104 2HB PRO 104 -4.049 -27.953 1.273 716 HG2 PRO 104 1HG PRO 104 -4.754 -26.301 3.668 717 HG3 PRO 104 2HG PRO 104 -3.444 -26.070 2.497 718 HD2 PRO 104 1HD PRO 104 -5.753 -24.661 2.395 719 HD3 PRO 104 2HD PRO 104 -4.838 -25.099 0.939 720 H SER 105 H SER 105 -7.689 -29.796 1.614 721 HA SER 105 HA SER 105 -9.244 -29.270 3.926 722 HB2 SER 105 1HB SER 105 -9.932 -30.672 1.923 723 HB3 SER 105 2HB SER 105 -8.920 -31.957 2.582 724 HG SER 105 HG SER 105 -10.754 -30.777 4.310 Start of MODEL 7 1 H1 GLY 1 H GLY 1 2.459 37.059 1.356 2 HA2 GLY 1 1HA GLY 1 4.832 37.122 1.151 3 HA3 GLY 1 2HA GLY 1 4.460 38.317 2.385 4 H SER 2 H SER 2 4.632 34.755 2.363 5 HA SER 2 HA SER 2 5.611 34.523 4.970 6 HB2 SER 2 1HB SER 2 6.100 32.223 4.431 7 HB3 SER 2 2HB SER 2 4.607 32.672 3.606 8 HG SER 2 HG SER 2 7.068 31.991 2.567 9 H SER 3 H SER 3 7.409 35.492 5.658 10 HA SER 3 HA SER 3 9.703 35.822 3.930 11 HB2 SER 3 1HB SER 3 8.949 37.573 5.570 12 HB3 SER 3 2HB SER 3 9.468 36.500 6.869 13 HG SER 3 HG SER 3 11.248 37.647 6.543 14 H GLY 4 H GLY 4 9.148 34.290 7.108 15 HA2 GLY 4 1HA GLY 4 11.637 32.798 6.825 16 HA3 GLY 4 2HA GLY 4 10.604 32.845 8.247 17 H SER 5 H SER 5 10.325 30.703 8.609 18 HA SER 5 HA SER 5 9.641 28.912 6.439 19 HB2 SER 5 1HB SER 5 9.775 28.355 9.412 20 HB3 SER 5 2HB SER 5 9.707 27.153 8.123 21 HG SER 5 HG SER 5 11.834 27.374 8.686 22 H SER 6 H SER 6 7.663 28.191 5.922 23 HA SER 6 HA SER 6 5.459 28.159 7.719 24 HB2 SER 6 1HB SER 6 5.783 30.651 6.978 25 HB3 SER 6 2HB SER 6 5.041 30.105 5.474 26 HG SER 6 HG SER 6 3.391 30.768 6.775 27 H GLY 7 H GLY 7 4.273 26.482 7.100 28 HA2 GLY 7 1HA GLY 7 2.804 25.650 5.264 29 HA3 GLY 7 2HA GLY 7 4.208 25.817 4.221 30 H GLY 8 H GLY 8 3.330 23.461 3.952 31 HA2 GLY 8 1HA GLY 8 5.283 21.752 5.137 32 HA3 GLY 8 2HA GLY 8 3.693 21.475 5.832 33 H CYS 9 H CYS 9 4.423 19.307 4.794 34 HA CYS 9 HA CYS 9 4.196 19.044 1.971 35 HB2 CYS 9 1HB CYS 9 4.082 16.605 2.449 36 HB3 CYS 9 2HB CYS 9 5.441 17.400 3.235 37 HG CYS 9 HG CYS 9 2.532 16.828 4.922 38 H GLN 10 H GLN 10 2.529 17.637 0.930 39 HA GLN 10 HA GLN 10 -0.131 18.137 2.096 40 HB2 GLN 10 1HB GLN 10 0.826 18.413 -0.741 41 HB3 GLN 10 2HB GLN 10 -0.877 18.181 -0.371 42 HG2 GLN 10 1HG GLN 10 0.893 20.480 0.393 43 HG3 GLN 10 2HG GLN 10 -0.557 20.499 -0.610 44 HE21 GLN 10 1HE2 GLN 10 0.049 22.068 1.749 45 HE22 GLN 10 2HE2 GLN 10 -1.193 21.722 2.899 46 HA PRO 11 HA PRO 11 0.161 13.602 1.694 47 HB2 PRO 11 1HB PRO 11 -1.599 13.108 3.701 48 HB3 PRO 11 2HB PRO 11 0.113 13.443 3.986 49 HG2 PRO 11 1HG PRO 11 -2.238 15.284 4.195 50 HG3 PRO 11 2HG PRO 11 -0.848 15.116 5.284 51 HD2 PRO 11 1HD PRO 11 -1.033 17.104 3.456 52 HD3 PRO 11 2HD PRO 11 0.520 16.394 3.940 53 H SER 12 H SER 12 -2.185 15.889 1.045 54 HA SER 12 HA SER 12 -4.317 13.993 0.474 55 HB2 SER 12 1HB SER 12 -5.718 15.858 0.126 56 HB3 SER 12 2HB SER 12 -4.655 16.357 1.441 57 HG SER 12 HG SER 12 -3.429 17.522 -0.048 58 H ARG 13 H ARG 13 -1.803 15.729 -1.161 59 HA ARG 13 HA ARG 13 -2.892 15.461 -3.795 60 HB2 ARG 13 1HB ARG 13 0.003 15.911 -3.075 61 HB3 ARG 13 2HB ARG 13 -0.812 16.341 -4.573 62 HG2 ARG 13 1HG ARG 13 -1.803 17.533 -2.039 63 HG3 ARG 13 2HG ARG 13 -0.290 18.133 -2.721 64 HD2 ARG 13 1HD ARG 13 -2.791 17.875 -4.365 65 HD3 ARG 13 2HD ARG 13 -2.448 19.316 -3.407 66 HE ARG 13 HE ARG 13 -0.196 19.034 -4.846 67 HH11 ARG 13 1HH1 ARG 13 -3.563 19.024 -5.734 68 HH12 ARG 13 2HH1 ARG 13 -3.282 19.675 -7.315 69 HH21 ARG 13 1HH2 ARG 13 0.186 19.891 -6.925 70 HH22 ARG 13 2HH2 ARG 13 -1.150 20.166 -7.992 71 H VAL 14 H VAL 14 -1.500 13.291 -1.655 72 HA VAL 14 HA VAL 14 -0.114 11.650 -3.569 73 HB VAL 14 HB VAL 14 -1.023 10.806 -0.822 74 HG11 VAL 14 1HG1 VAL 14 0.877 9.302 -0.930 75 HG12 VAL 14 2HG1 VAL 14 -0.177 9.048 -2.322 76 HG13 VAL 14 3HG1 VAL 14 1.328 9.950 -2.507 77 HG21 VAL 14 1HG2 VAL 14 0.856 11.778 0.160 78 HG22 VAL 14 2HG2 VAL 14 1.655 12.031 -1.391 79 HG23 VAL 14 3HG2 VAL 14 0.272 13.027 -0.940 80 H GLN 15 H GLN 15 -0.718 9.469 -4.117 81 HA GLN 15 HA GLN 15 -3.528 8.765 -3.782 82 HB2 GLN 15 1HB GLN 15 -4.111 8.785 -5.994 83 HB3 GLN 15 2HB GLN 15 -2.960 10.115 -5.994 84 HG2 GLN 15 1HG GLN 15 -1.206 8.544 -6.742 85 HG3 GLN 15 2HG GLN 15 -2.428 7.277 -6.839 86 HE21 GLN 15 1HE2 GLN 15 -2.210 10.677 -7.844 87 HE22 GLN 15 2HE2 GLN 15 -2.723 10.405 -9.471 88 H ALA 16 H ALA 16 -3.994 6.542 -4.318 89 HA ALA 16 HA ALA 16 -1.705 4.789 -4.756 90 HB1 ALA 16 1HB ALA 16 -3.458 4.007 -2.496 91 HB2 ALA 16 2HB ALA 16 -1.743 3.693 -2.765 92 HB3 ALA 16 3HB ALA 16 -2.272 5.280 -2.208 93 H GLN 17 H GLN 17 -2.269 3.369 -6.257 94 HA GLN 17 HA GLN 17 -4.878 2.092 -6.163 95 HB2 GLN 17 1HB GLN 17 -5.362 2.564 -8.526 96 HB3 GLN 17 2HB GLN 17 -5.297 4.038 -7.569 97 HG2 GLN 17 1HG GLN 17 -2.944 4.344 -8.366 98 HG3 GLN 17 2HG GLN 17 -3.213 2.992 -9.465 99 HE21 GLN 17 1HE2 GLN 17 -4.735 6.049 -8.501 100 HE22 GLN 17 2HE2 GLN 17 -5.203 6.517 -10.096 101 H GLY 18 H GLY 18 -4.952 0.090 -7.197 102 HA2 GLY 18 1HA GLY 18 -3.470 -1.127 -9.030 103 HA3 GLY 18 2HA GLY 18 -2.323 -1.071 -7.700 104 HA PRO 19 HA PRO 19 -4.867 -4.974 -7.420 105 HB2 PRO 19 1HB PRO 19 -2.743 -6.660 -7.288 106 HB3 PRO 19 2HB PRO 19 -3.464 -6.141 -8.816 107 HG2 PRO 19 1HG PRO 19 -1.017 -5.114 -7.431 108 HG3 PRO 19 2HG PRO 19 -1.267 -5.459 -9.153 109 HD2 PRO 19 1HD PRO 19 -1.376 -2.951 -8.139 110 HD3 PRO 19 2HD PRO 19 -2.362 -3.465 -9.522 111 H GLY 20 H GLY 20 -1.832 -4.113 -5.767 112 HA2 GLY 20 1HA GLY 20 -2.210 -5.656 -3.462 113 HA3 GLY 20 2HA GLY 20 -1.234 -4.198 -3.554 114 H LEU 21 H LEU 21 -3.957 -2.951 -4.516 115 HA LEU 21 HA LEU 21 -4.878 -2.366 -1.785 116 HB2 LEU 21 1HB LEU 21 -5.112 -0.747 -4.316 117 HB3 LEU 21 2HB LEU 21 -5.805 -0.288 -2.762 118 HG LEU 21 HG LEU 21 -2.865 -0.558 -3.388 119 HD11 LEU 21 1HD1 LEU 21 -3.015 1.948 -2.799 120 HD12 LEU 21 2HD1 LEU 21 -4.732 1.770 -3.158 121 HD13 LEU 21 3HD1 LEU 21 -3.532 1.420 -4.401 122 HD21 LEU 21 1HD2 LEU 21 -2.614 -0.824 -1.193 123 HD22 LEU 21 2HD2 LEU 21 -4.325 -0.525 -0.889 124 HD23 LEU 21 3HD2 LEU 21 -3.201 0.829 -1.009 125 H LYS 22 H LYS 22 -5.915 -3.275 -5.012 126 HA LYS 22 HA LYS 22 -8.714 -3.198 -4.416 127 HB2 LYS 22 1HB LYS 22 -7.056 -4.216 -6.694 128 HB3 LYS 22 2HB LYS 22 -8.751 -4.670 -6.582 129 HG2 LYS 22 1HG LYS 22 -9.251 -2.187 -6.416 130 HG3 LYS 22 2HG LYS 22 -7.576 -1.928 -6.910 131 HD2 LYS 22 1HD LYS 22 -9.333 -3.743 -8.509 132 HD3 LYS 22 2HD LYS 22 -9.472 -1.994 -8.703 133 HE2 LYS 22 1HE LYS 22 -6.802 -3.346 -8.837 134 HE3 LYS 22 2HE LYS 22 -7.864 -3.311 -10.244 135 HZ1 LYS 22 1HZ LYS 22 -7.952 -0.798 -9.767 136 HZ2 LYS 22 2HZ LYS 22 -6.577 -1.434 -10.518 137 HZ3 LYS 22 3HZ LYS 22 -6.544 -1.066 -8.868 138 H GLU 23 H GLU 23 -6.433 -5.881 -4.992 139 HA GLU 23 HA GLU 23 -7.671 -7.457 -2.926 140 HB2 GLU 23 1HB GLU 23 -8.435 -9.271 -4.286 141 HB3 GLU 23 2HB GLU 23 -9.165 -7.797 -4.908 142 HG2 GLU 23 1HG GLU 23 -6.619 -8.753 -6.112 143 HG3 GLU 23 2HG GLU 23 -8.122 -9.581 -6.516 144 H ALA 24 H ALA 24 -6.374 -9.130 -2.219 145 HA ALA 24 HA ALA 24 -3.856 -9.574 -3.670 146 HB1 ALA 24 1HB ALA 24 -3.189 -8.068 -1.995 147 HB2 ALA 24 2HB ALA 24 -4.183 -8.859 -0.770 148 HB3 ALA 24 3HB ALA 24 -2.738 -9.661 -1.387 149 H PHE 25 H PHE 25 -2.634 -11.408 -2.199 150 HA PHE 25 HA PHE 25 -4.531 -13.486 -1.446 151 HB2 PHE 25 1HB PHE 25 -2.793 -13.559 -3.861 152 HB3 PHE 25 2HB PHE 25 -2.946 -15.045 -2.928 153 HD1 PHE 25 2HD PHE 25 -5.009 -12.389 -4.521 154 HD2 PHE 25 1HD PHE 25 -4.722 -16.464 -3.325 155 HE1 PHE 25 2HE PHE 25 -7.149 -12.864 -5.638 156 HE2 PHE 25 1HE PHE 25 -6.861 -16.946 -4.441 157 HZ PHE 25 HZ PHE 25 -8.078 -15.145 -5.599 158 H THR 26 H THR 26 -3.347 -15.453 -0.600 159 HA THR 26 HA THR 26 -1.360 -14.561 1.283 160 HB THR 26 HB THR 26 -1.457 -16.858 2.171 161 HG1 THR 26 1HG THR 26 -3.129 -17.268 -0.094 162 HG21 THR 26 1HG2 THR 26 -3.066 -15.452 3.134 163 HG22 THR 26 2HG2 THR 26 -3.987 -16.868 2.628 164 HG23 THR 26 3HG2 THR 26 -4.030 -15.395 1.658 165 H ASN 27 H ASN 27 0.782 -14.775 1.144 166 HA ASN 27 HA ASN 27 2.852 -15.335 0.388 167 HB2 ASN 27 1HB ASN 27 1.418 -17.815 -0.589 168 HB3 ASN 27 2HB ASN 27 3.168 -17.616 -0.549 169 HD21 ASN 27 1HD2 ASN 27 0.403 -17.161 1.633 170 HD22 ASN 27 2HD2 ASN 27 1.143 -17.914 3.001 171 H LYS 28 H LYS 28 0.909 -13.861 -1.297 172 HA LYS 28 HA LYS 28 2.148 -14.386 -3.920 173 HB2 LYS 28 1HB LYS 28 -0.657 -13.595 -3.203 174 HB3 LYS 28 2HB LYS 28 0.009 -13.173 -4.775 175 HG2 LYS 28 1HG LYS 28 0.626 -15.748 -4.792 176 HG3 LYS 28 2HG LYS 28 -0.740 -15.821 -3.676 177 HD2 LYS 28 1HD LYS 28 -1.942 -14.377 -5.478 178 HD3 LYS 28 2HD LYS 28 -0.678 -14.987 -6.549 179 HE2 LYS 28 1HE LYS 28 -1.320 -17.305 -5.769 180 HE3 LYS 28 2HE LYS 28 -2.728 -16.565 -5.010 181 HZ1 LYS 28 1HZ LYS 28 -2.433 -15.744 -7.724 182 HZ2 LYS 28 2HZ LYS 28 -3.764 -16.449 -6.955 183 HZ3 LYS 28 3HZ LYS 28 -2.544 -17.427 -7.600 184 HA PRO 29 HA PRO 29 3.800 -10.311 -3.710 185 HB2 PRO 29 1HB PRO 29 4.158 -9.851 -6.362 186 HB3 PRO 29 2HB PRO 29 5.186 -10.946 -5.430 187 HG2 PRO 29 1HG PRO 29 2.880 -11.585 -7.228 188 HG3 PRO 29 2HG PRO 29 4.450 -12.397 -7.091 189 HD2 PRO 29 1HD PRO 29 2.203 -13.365 -5.930 190 HD3 PRO 29 2HD PRO 29 3.815 -13.582 -5.218 191 H ASN 30 H ASN 30 2.474 -8.702 -3.115 192 HA ASN 30 HA ASN 30 0.454 -7.784 -5.055 193 HB2 ASN 30 1HB ASN 30 0.170 -7.191 -2.139 194 HB3 ASN 30 2HB ASN 30 -1.076 -7.382 -3.369 195 HD21 ASN 30 1HD2 ASN 30 0.867 -8.936 -1.010 196 HD22 ASN 30 2HD2 ASN 30 0.178 -10.513 -1.159 197 H VAL 31 H VAL 31 1.084 -5.950 -5.969 198 HA VAL 31 HA VAL 31 2.450 -3.944 -4.295 199 HB VAL 31 HB VAL 31 3.850 -3.302 -6.042 200 HG11 VAL 31 1HG1 VAL 31 3.606 -6.249 -6.591 201 HG12 VAL 31 2HG1 VAL 31 5.054 -5.242 -6.640 202 HG13 VAL 31 3HG1 VAL 31 4.289 -5.613 -5.095 203 HG21 VAL 31 1HG2 VAL 31 1.906 -4.709 -7.850 204 HG22 VAL 31 2HG2 VAL 31 2.369 -3.007 -7.845 205 HG23 VAL 31 3HG2 VAL 31 3.514 -4.231 -8.392 206 H PHE 32 H PHE 32 2.222 -1.689 -5.184 207 HA PHE 32 HA PHE 32 -0.199 -1.208 -6.719 208 HB2 PHE 32 1HB PHE 32 -0.959 0.452 -4.914 209 HB3 PHE 32 2HB PHE 32 -1.229 -1.259 -4.603 210 HD1 PHE 32 2HD PHE 32 0.189 -2.463 -2.991 211 HD2 PHE 32 1HD PHE 32 0.515 1.741 -3.568 212 HE1 PHE 32 2HE PHE 32 1.411 -2.270 -0.865 213 HE2 PHE 32 1HE PHE 32 1.739 1.942 -1.443 214 HZ PHE 32 HZ PHE 32 2.187 -0.065 -0.088 215 H THR 33 H THR 33 -0.310 0.862 -7.625 216 HA THR 33 HA THR 33 2.260 2.182 -7.858 217 HB THR 33 HB THR 33 -0.355 2.823 -9.238 218 HG1 THR 33 1HG THR 33 1.861 1.540 -10.434 219 HG21 THR 33 1HG2 THR 33 0.676 4.620 -10.053 220 HG22 THR 33 2HG2 THR 33 1.932 3.587 -10.736 221 HG23 THR 33 3HG2 THR 33 2.113 4.237 -9.107 222 H VAL 34 H VAL 34 2.829 4.039 -6.911 223 HA VAL 34 HA VAL 34 0.728 5.617 -5.573 224 HB VAL 34 HB VAL 34 3.554 5.218 -4.583 225 HG11 VAL 34 1HG1 VAL 34 3.007 6.541 -2.743 226 HG12 VAL 34 2HG1 VAL 34 2.284 7.403 -4.103 227 HG13 VAL 34 3HG1 VAL 34 1.275 6.414 -3.046 228 HG21 VAL 34 1HG2 VAL 34 2.700 3.209 -3.982 229 HG22 VAL 34 2HG2 VAL 34 2.029 4.154 -2.653 230 HG23 VAL 34 3HG2 VAL 34 1.030 3.772 -4.055 231 H VAL 35 H VAL 35 0.488 7.430 -6.711 232 HA VAL 35 HA VAL 35 2.801 8.664 -8.000 233 HB VAL 35 HB VAL 35 -0.119 9.419 -8.177 234 HG11 VAL 35 1HG1 VAL 35 0.493 11.212 -9.338 235 HG12 VAL 35 2HG1 VAL 35 2.160 10.885 -8.862 236 HG13 VAL 35 3HG1 VAL 35 1.534 10.246 -10.383 237 HG21 VAL 35 1HG2 VAL 35 1.263 8.254 -10.501 238 HG22 VAL 35 2HG2 VAL 35 0.966 7.148 -9.160 239 HG23 VAL 35 3HG2 VAL 35 -0.381 8.003 -9.912 240 H THR 36 H THR 36 3.955 9.920 -6.674 241 HA THR 36 HA THR 36 2.568 11.603 -4.716 242 HB THR 36 HB THR 36 4.731 11.947 -3.669 243 HG1 THR 36 1HG THR 36 5.957 10.164 -5.475 244 HG21 THR 36 1HG2 THR 36 3.467 9.408 -3.972 245 HG22 THR 36 2HG2 THR 36 4.360 10.037 -2.587 246 HG23 THR 36 3HG2 THR 36 5.209 9.160 -3.859 247 H ARG 37 H ARG 37 2.166 12.474 -7.262 248 HA ARG 37 HA ARG 37 4.120 14.569 -7.811 249 HB2 ARG 37 1HB ARG 37 1.738 13.506 -9.314 250 HB3 ARG 37 2HB ARG 37 2.544 14.994 -9.792 251 HG2 ARG 37 1HG ARG 37 4.126 12.487 -9.434 252 HG3 ARG 37 2HG ARG 37 3.202 12.755 -10.913 253 HD2 ARG 37 1HD ARG 37 5.249 13.645 -11.483 254 HD3 ARG 37 2HD ARG 37 4.395 15.074 -10.901 255 HE ARG 37 HE ARG 37 5.789 13.855 -8.773 256 HH11 ARG 37 1HH1 ARG 37 6.330 15.716 -11.666 257 HH12 ARG 37 2HH1 ARG 37 7.793 16.438 -11.084 258 HH21 ARG 37 1HH2 ARG 37 7.715 14.800 -7.996 259 HH22 ARG 37 2HH2 ARG 37 8.581 15.915 -8.997 260 H GLY 38 H GLY 38 3.807 16.064 -6.180 261 HA2 GLY 38 1HA GLY 38 2.570 18.272 -6.191 262 HA3 GLY 38 2HA GLY 38 1.122 17.287 -6.043 263 H ALA 39 H ALA 39 2.257 15.370 -4.220 264 HA ALA 39 HA ALA 39 1.529 16.373 -1.786 265 HB1 ALA 39 1HB ALA 39 3.652 14.288 -2.280 266 HB2 ALA 39 2HB ALA 39 2.782 14.541 -0.767 267 HB3 ALA 39 3HB ALA 39 1.913 13.999 -2.203 268 H GLY 40 H GLY 40 4.934 15.980 -2.808 269 HA2 GLY 40 1HA GLY 40 6.146 18.254 -2.482 270 HA3 GLY 40 2HA GLY 40 5.683 17.997 -0.807 271 H ILE 41 H ILE 41 7.716 17.798 0.041 272 HA ILE 41 HA ILE 41 9.275 15.476 -0.890 273 HB ILE 41 HB ILE 41 10.358 18.011 0.344 274 HG12 ILE 41 1HG1 ILE 41 10.952 17.042 -2.433 275 HG13 ILE 41 2HG1 ILE 41 9.490 17.971 -2.121 276 HG21 ILE 41 1HG2 ILE 41 11.556 15.377 -0.313 277 HG22 ILE 41 2HG2 ILE 41 12.524 16.819 -0.609 278 HG23 ILE 41 3HG2 ILE 41 11.913 16.485 1.011 279 HD11 ILE 41 1HD1 ILE 41 12.327 18.818 -2.069 280 HD12 ILE 41 2HD1 ILE 41 10.902 19.652 -2.690 281 HD13 ILE 41 3HD1 ILE 41 11.207 19.599 -0.954 282 H GLY 42 H GLY 42 9.682 13.933 0.567 283 HA2 GLY 42 1HA GLY 42 10.253 14.270 3.264 284 HA3 GLY 42 2HA GLY 42 8.515 14.034 3.152 285 H GLY 43 H GLY 43 9.027 12.115 4.479 286 HA2 GLY 43 1HA GLY 43 10.038 9.888 2.824 287 HA3 GLY 43 2HA GLY 43 10.136 9.940 4.578 288 H LEU 44 H LEU 44 8.566 8.516 2.101 289 HA LEU 44 HA LEU 44 5.911 8.472 3.260 290 HB2 LEU 44 1HB LEU 44 6.249 8.474 0.820 291 HB3 LEU 44 2HB LEU 44 7.049 6.909 0.946 292 HG LEU 44 HG LEU 44 4.723 6.250 2.061 293 HD11 LEU 44 1HD1 LEU 44 4.088 8.574 0.256 294 HD12 LEU 44 2HD1 LEU 44 3.671 8.383 1.959 295 HD13 LEU 44 3HD1 LEU 44 2.908 7.358 0.744 296 HD21 LEU 44 1HD2 LEU 44 3.988 5.797 -0.424 297 HD22 LEU 44 2HD2 LEU 44 5.356 4.944 0.291 298 HD23 LEU 44 3HD2 LEU 44 5.635 6.324 -0.772 299 H GLY 45 H GLY 45 5.229 7.054 4.725 300 HA2 GLY 45 1HA GLY 45 6.890 4.663 5.206 301 HA3 GLY 45 2HA GLY 45 5.923 5.471 6.431 302 H ILE 46 H ILE 46 6.020 3.002 4.108 303 HA ILE 46 HA ILE 46 3.108 2.627 4.220 304 HB ILE 46 HB ILE 46 5.127 1.284 2.419 305 HG12 ILE 46 1HG1 ILE 46 3.094 3.441 1.810 306 HG13 ILE 46 2HG1 ILE 46 4.832 3.689 1.939 307 HG21 ILE 46 1HG2 ILE 46 3.443 0.068 1.479 308 HG22 ILE 46 2HG2 ILE 46 2.828 0.182 3.127 309 HG23 ILE 46 3HG2 ILE 46 2.208 1.261 1.878 310 HD11 ILE 46 1HD1 ILE 46 3.535 1.866 -0.069 311 HD12 ILE 46 2HD1 ILE 46 3.986 3.541 -0.386 312 HD13 ILE 46 3HD1 ILE 46 5.228 2.352 0.002 313 H THR 47 H THR 47 2.290 1.136 5.523 314 HA THR 47 HA THR 47 3.920 -1.201 6.231 315 HB THR 47 HB THR 47 2.905 -1.020 8.576 316 HG1 THR 47 1HG THR 47 2.609 1.366 9.046 317 HG21 THR 47 1HG2 THR 47 4.738 0.253 9.380 318 HG22 THR 47 2HG2 THR 47 4.851 1.172 7.879 319 HG23 THR 47 3HG2 THR 47 5.300 -0.533 7.906 320 H VAL 48 H VAL 48 2.725 -3.061 6.855 321 HA VAL 48 HA VAL 48 -0.130 -2.961 6.125 322 HB VAL 48 HB VAL 48 1.853 -5.166 5.551 323 HG11 VAL 48 1HG1 VAL 48 -0.751 -5.481 4.345 324 HG12 VAL 48 2HG1 VAL 48 0.181 -6.616 5.324 325 HG13 VAL 48 3HG1 VAL 48 -0.865 -5.428 6.104 326 HG21 VAL 48 1HG2 VAL 48 1.885 -4.489 3.394 327 HG22 VAL 48 2HG2 VAL 48 0.205 -3.951 3.422 328 HG23 VAL 48 3HG2 VAL 48 1.470 -2.931 4.108 329 H GLU 49 H GLU 49 -1.548 -3.895 7.492 330 HA GLU 49 HA GLU 49 -0.446 -5.392 9.778 331 HB2 GLU 49 1HB GLU 49 -2.508 -3.225 9.674 332 HB3 GLU 49 2HB GLU 49 -2.606 -4.449 10.932 333 HG2 GLU 49 1HG GLU 49 -0.252 -3.877 11.551 334 HG3 GLU 49 2HG GLU 49 -0.353 -2.526 10.423 335 H GLY 50 H GLY 50 -1.475 -7.243 10.400 336 HA2 GLY 50 1HA GLY 50 -4.104 -7.959 9.627 337 HA3 GLY 50 2HA GLY 50 -2.943 -8.695 8.532 338 HA PRO 51 HA PRO 51 -3.587 -11.492 12.201 339 HB2 PRO 51 1HB PRO 51 -4.093 -13.719 10.734 340 HB3 PRO 51 2HB PRO 51 -5.354 -12.574 11.208 341 HG2 PRO 51 1HG PRO 51 -3.904 -12.824 8.600 342 HG3 PRO 51 2HG PRO 51 -5.631 -12.549 8.899 343 HD2 PRO 51 1HD PRO 51 -3.933 -10.550 8.228 344 HD3 PRO 51 2HD PRO 51 -5.334 -10.297 9.287 345 H SER 52 H SER 52 -1.402 -11.014 9.758 346 HA SER 52 HA SER 52 0.612 -12.583 11.062 347 HB2 SER 52 1HB SER 52 1.197 -14.001 9.162 348 HB3 SER 52 2HB SER 52 -0.470 -14.308 9.649 349 HG SER 52 HG SER 52 0.009 -12.382 7.679 350 H GLU 53 H GLU 53 2.656 -11.853 10.621 351 HA GLU 53 HA GLU 53 2.959 -9.276 9.576 352 HB2 GLU 53 1HB GLU 53 4.512 -10.306 11.198 353 HB3 GLU 53 2HB GLU 53 5.085 -11.395 9.942 354 HG2 GLU 53 1HG GLU 53 5.916 -9.494 8.663 355 HG3 GLU 53 2HG GLU 53 5.331 -8.395 9.910 356 H SER 54 H SER 54 3.425 -8.485 7.606 357 HA SER 54 HA SER 54 3.683 -10.428 5.410 358 HB2 SER 54 1HB SER 54 2.766 -7.550 5.229 359 HB3 SER 54 2HB SER 54 2.702 -8.766 3.953 360 HG SER 54 HG SER 54 1.347 -9.032 6.428 361 H LYS 55 H LYS 55 5.304 -10.243 3.918 362 HA LYS 55 HA LYS 55 7.631 -8.754 4.732 363 HB2 LYS 55 1HB LYS 55 7.014 -10.799 2.651 364 HB3 LYS 55 2HB LYS 55 8.429 -9.782 2.416 365 HG2 LYS 55 1HG LYS 55 9.148 -10.474 4.740 366 HG3 LYS 55 2HG LYS 55 7.871 -11.690 4.666 367 HD2 LYS 55 1HD LYS 55 10.030 -11.432 2.582 368 HD3 LYS 55 2HD LYS 55 10.170 -12.479 3.995 369 HE2 LYS 55 1HE LYS 55 8.235 -13.741 3.307 370 HE3 LYS 55 2HE LYS 55 7.941 -12.630 1.970 371 HZ1 LYS 55 1HZ LYS 55 9.107 -14.112 0.796 372 HZ2 LYS 55 2HZ LYS 55 9.804 -14.823 2.163 373 HZ3 LYS 55 3HZ LYS 55 10.471 -13.412 1.511 374 H ILE 56 H ILE 56 7.267 -6.587 4.452 375 HA ILE 56 HA ILE 56 6.321 -5.606 1.880 376 HB ILE 56 HB ILE 56 6.926 -4.260 4.500 377 HG12 ILE 56 1HG1 ILE 56 4.406 -4.162 2.851 378 HG13 ILE 56 2HG1 ILE 56 4.723 -5.472 3.984 379 HG21 ILE 56 1HG2 ILE 56 6.256 -2.130 3.417 380 HG22 ILE 56 2HG2 ILE 56 7.789 -2.769 2.825 381 HG23 ILE 56 3HG2 ILE 56 6.327 -2.945 1.855 382 HD11 ILE 56 1HD1 ILE 56 5.166 -3.349 5.574 383 HD12 ILE 56 2HD1 ILE 56 3.954 -2.682 4.479 384 HD13 ILE 56 3HD1 ILE 56 3.602 -4.145 5.400 385 H ASN 57 H ASN 57 7.503 -4.290 0.498 386 HA ASN 57 HA ASN 57 10.291 -3.734 1.095 387 HB2 ASN 57 1HB ASN 57 9.412 -5.580 -1.125 388 HB3 ASN 57 2HB ASN 57 10.968 -4.755 -1.144 389 HD21 ASN 57 1HD2 ASN 57 9.375 -7.513 -0.251 390 HD22 ASN 57 2HD2 ASN 57 10.524 -8.145 0.874 391 H CYS 58 H CYS 58 10.379 -1.626 0.685 392 HA CYS 58 HA CYS 58 8.710 -0.392 -1.310 393 HB2 CYS 58 1HB CYS 58 9.737 1.705 -0.571 394 HB3 CYS 58 2HB CYS 58 9.192 0.756 0.806 395 HG CYS 58 HG CYS 58 11.674 2.117 1.286 396 H ARG 59 H ARG 59 9.435 0.773 -3.136 397 HA ARG 59 HA ARG 59 12.175 0.222 -4.025 398 HB2 ARG 59 1HB ARG 59 10.316 -1.390 -4.943 399 HB3 ARG 59 2HB ARG 59 9.932 -0.029 -5.989 400 HG2 ARG 59 1HG ARG 59 11.924 -0.167 -7.131 401 HG3 ARG 59 2HG ARG 59 12.749 -0.984 -5.802 402 HD2 ARG 59 1HD ARG 59 12.471 -2.742 -7.235 403 HD3 ARG 59 2HD ARG 59 10.976 -2.865 -6.309 404 HE ARG 59 HE ARG 59 10.509 -1.209 -8.512 405 HH11 ARG 59 1HH1 ARG 59 11.240 -4.540 -7.812 406 HH12 ARG 59 2HH1 ARG 59 10.427 -5.149 -9.215 407 HH21 ARG 59 1HH2 ARG 59 9.436 -1.999 -10.363 408 HH22 ARG 59 2HH2 ARG 59 9.402 -3.703 -10.666 409 H ASP 60 H ASP 60 13.085 2.118 -4.426 410 HA ASP 60 HA ASP 60 11.515 4.467 -4.971 411 HB2 ASP 60 1HB ASP 60 14.514 4.306 -5.172 412 HB3 ASP 60 2HB ASP 60 13.515 5.689 -4.733 413 H ASN 61 H ASN 61 11.066 5.354 -6.888 414 HA ASN 61 HA ASN 61 12.230 4.104 -9.277 415 HB2 ASN 61 1HB ASN 61 9.649 5.596 -8.820 416 HB3 ASN 61 2HB ASN 61 10.257 5.243 -10.434 417 HD21 ASN 61 1HD2 ASN 61 8.003 4.288 -8.481 418 HD22 ASN 61 2HD2 ASN 61 7.999 2.580 -8.739 419 H LYS 62 H LYS 62 13.392 5.251 -10.717 420 HA LYS 62 HA LYS 62 14.154 7.952 -9.985 421 HB2 LYS 62 1HB LYS 62 15.189 5.883 -11.875 422 HB3 LYS 62 2HB LYS 62 15.613 7.567 -12.156 423 HG2 LYS 62 1HG LYS 62 17.370 6.638 -10.893 424 HG3 LYS 62 2HG LYS 62 16.437 7.638 -9.777 425 HD2 LYS 62 1HD LYS 62 16.854 5.655 -8.595 426 HD3 LYS 62 2HD LYS 62 15.193 5.490 -9.170 427 HE2 LYS 62 1HE LYS 62 15.748 3.887 -10.722 428 HE3 LYS 62 2HE LYS 62 17.417 4.439 -10.853 429 HZ1 LYS 62 1HZ LYS 62 17.945 3.443 -8.782 430 HZ2 LYS 62 2HZ LYS 62 17.122 2.276 -9.689 431 HZ3 LYS 62 3HZ LYS 62 16.323 3.098 -8.444 432 H ASP 63 H ASP 63 11.452 7.499 -10.958 433 HA ASP 63 HA ASP 63 11.547 9.135 -13.409 434 HB2 ASP 63 1HB ASP 63 10.612 6.775 -13.634 435 HB3 ASP 63 2HB ASP 63 9.265 7.319 -12.638 436 H GLY 64 H GLY 64 9.211 8.311 -10.832 437 HA2 GLY 64 1HA GLY 64 9.014 10.710 -9.552 438 HA3 GLY 64 2HA GLY 64 8.007 10.919 -10.978 439 H SER 65 H SER 65 8.507 8.092 -8.882 440 HA SER 65 HA SER 65 5.919 8.332 -7.672 441 HB2 SER 65 1HB SER 65 5.050 6.172 -8.616 442 HB3 SER 65 2HB SER 65 5.151 7.481 -9.793 443 HG SER 65 HG SER 65 5.999 5.393 -10.489 444 H CYS 66 H CYS 66 5.414 5.980 -6.647 445 HA CYS 66 HA CYS 66 7.910 4.826 -5.641 446 HB2 CYS 66 1HB CYS 66 7.119 6.607 -4.058 447 HB3 CYS 66 2HB CYS 66 5.651 5.667 -3.817 448 HG CYS 66 HG CYS 66 6.708 4.638 -1.702 449 H SER 67 H SER 67 7.818 2.670 -5.209 450 HA SER 67 HA SER 67 5.222 1.355 -5.673 451 HB2 SER 67 1HB SER 67 7.230 1.048 -7.330 452 HB3 SER 67 2HB SER 67 7.836 -0.054 -6.094 453 HG SER 67 HG SER 67 5.598 -0.277 -7.746 454 H ALA 68 H ALA 68 4.605 -0.332 -4.348 455 HA ALA 68 HA ALA 68 6.365 -1.032 -2.111 456 HB1 ALA 68 1HB ALA 68 3.986 -0.925 -0.825 457 HB2 ALA 68 2HB ALA 68 5.180 0.373 -0.816 458 HB3 ALA 68 3HB ALA 68 3.823 0.431 -1.940 459 H GLU 69 H GLU 69 6.582 -3.164 -2.183 460 HA GLU 69 HA GLU 69 4.272 -4.790 -3.015 461 HB2 GLU 69 1HB GLU 69 5.781 -6.442 -3.823 462 HB3 GLU 69 2HB GLU 69 6.357 -4.895 -4.428 463 HG2 GLU 69 1HG GLU 69 8.044 -4.827 -2.669 464 HG3 GLU 69 2HG GLU 69 7.463 -6.371 -2.049 465 H TYR 70 H TYR 70 3.452 -6.267 -1.654 466 HA TYR 70 HA TYR 70 4.982 -6.969 0.753 467 HB2 TYR 70 1HB TYR 70 3.104 -6.615 2.187 468 HB3 TYR 70 2HB TYR 70 3.300 -5.152 1.229 469 HD1 TYR 70 2HD TYR 70 1.218 -8.127 1.781 470 HD2 TYR 70 1HD TYR 70 1.638 -4.492 -0.388 471 HE1 TYR 70 2HE TYR 70 -1.126 -8.296 1.057 472 HE2 TYR 70 1HE TYR 70 -0.705 -4.649 -1.118 473 HH TYR 70 HH TYR 70 -2.740 -5.692 -0.563 474 H ILE 71 H ILE 71 4.444 -8.983 1.694 475 HA ILE 71 HA ILE 71 2.664 -10.712 0.129 476 HB ILE 71 HB ILE 71 5.533 -11.314 0.830 477 HG12 ILE 71 1HG1 ILE 71 4.148 -11.680 -1.817 478 HG13 ILE 71 2HG1 ILE 71 4.823 -10.124 -1.347 479 HG21 ILE 71 1HG2 ILE 71 3.248 -13.124 0.553 480 HG22 ILE 71 2HG2 ILE 71 4.635 -13.543 -0.452 481 HG23 ILE 71 3HG2 ILE 71 4.826 -13.391 1.294 482 HD11 ILE 71 1HD1 ILE 71 6.139 -12.212 -2.611 483 HD12 ILE 71 2HD1 ILE 71 6.865 -10.768 -1.903 484 HD13 ILE 71 3HD1 ILE 71 6.730 -12.245 -0.950 485 HA PRO 72 HA PRO 72 1.497 -11.358 4.440 486 HB2 PRO 72 1HB PRO 72 -0.886 -12.514 3.845 487 HB3 PRO 72 2HB PRO 72 -0.639 -10.764 3.836 488 HG2 PRO 72 1HG PRO 72 -0.665 -12.685 1.541 489 HG3 PRO 72 2HG PRO 72 -1.402 -11.077 1.662 490 HD2 PRO 72 1HD PRO 72 0.944 -11.512 0.382 491 HD3 PRO 72 2HD PRO 72 0.587 -9.995 1.233 492 H PHE 73 H PHE 73 0.721 -13.333 5.627 493 HA PHE 73 HA PHE 73 1.789 -15.783 4.386 494 HB2 PHE 73 1HB PHE 73 2.041 -14.851 7.250 495 HB3 PHE 73 2HB PHE 73 2.464 -16.470 6.705 496 HD1 PHE 73 1HD PHE 73 3.157 -12.927 5.756 497 HD2 PHE 73 2HD PHE 73 4.674 -16.871 6.266 498 HE1 PHE 73 1HE PHE 73 5.410 -12.133 5.166 499 HE2 PHE 73 2HE PHE 73 6.929 -16.084 5.678 500 HZ PHE 73 HZ PHE 73 7.300 -13.712 5.127 501 H ALA 74 H ALA 74 -0.831 -14.259 5.910 502 HA ALA 74 HA ALA 74 -2.317 -16.778 5.909 503 HB1 ALA 74 1HB ALA 74 -1.430 -15.570 8.281 504 HB2 ALA 74 2HB ALA 74 -3.158 -15.231 8.172 505 HB3 ALA 74 3HB ALA 74 -2.580 -16.896 8.109 506 HA PRO 75 HA PRO 75 -5.369 -14.284 3.944 507 HB2 PRO 75 1HB PRO 75 -7.540 -15.858 4.366 508 HB3 PRO 75 2HB PRO 75 -6.278 -16.256 3.194 509 HG2 PRO 75 1HG PRO 75 -6.671 -17.286 5.977 510 HG3 PRO 75 2HG PRO 75 -6.231 -18.174 4.507 511 HD2 PRO 75 1HD PRO 75 -4.406 -17.445 6.369 512 HD3 PRO 75 2HD PRO 75 -4.017 -17.548 4.640 513 H GLY 76 H GLY 76 -6.937 -12.777 4.432 514 HA2 GLY 76 1HA GLY 76 -8.761 -12.620 6.408 515 HA3 GLY 76 2HA GLY 76 -7.279 -12.179 7.245 516 H ASP 77 H ASP 77 -8.506 -10.156 7.596 517 HA ASP 77 HA ASP 77 -8.576 -8.404 5.246 518 HB2 ASP 77 1HB ASP 77 -9.749 -6.834 6.913 519 HB3 ASP 77 2HB ASP 77 -10.626 -8.267 6.385 520 H TYR 78 H TYR 78 -6.708 -7.402 4.874 521 HA TYR 78 HA TYR 78 -5.048 -6.563 7.137 522 HB2 TYR 78 1HB TYR 78 -4.495 -6.903 4.194 523 HB3 TYR 78 2HB TYR 78 -3.373 -6.065 5.261 524 HD1 TYR 78 1HD TYR 78 -5.248 -9.294 5.063 525 HD2 TYR 78 2HD TYR 78 -1.684 -7.294 6.246 526 HE1 TYR 78 1HE TYR 78 -4.258 -11.451 5.705 527 HE2 TYR 78 2HE TYR 78 -0.683 -9.446 6.891 528 HH TYR 78 HH TYR 78 -1.590 -12.264 5.909 529 H ASP 79 H ASP 79 -3.942 -4.427 6.922 530 HA ASP 79 HA ASP 79 -5.634 -2.424 5.591 531 HB2 ASP 79 1HB ASP 79 -4.886 -2.610 8.471 532 HB3 ASP 79 2HB ASP 79 -4.951 -1.009 7.739 533 H VAL 80 H VAL 80 -4.372 -1.540 4.093 534 HA VAL 80 HA VAL 80 -1.512 -1.373 4.413 535 HB VAL 80 HB VAL 80 -3.247 -0.245 2.212 536 HG11 VAL 80 1HG1 VAL 80 -1.304 0.835 1.791 537 HG12 VAL 80 2HG1 VAL 80 -0.334 -0.328 2.697 538 HG13 VAL 80 3HG1 VAL 80 -0.871 -0.711 1.061 539 HG21 VAL 80 1HG2 VAL 80 -2.594 -2.943 2.859 540 HG22 VAL 80 2HG2 VAL 80 -3.527 -2.328 1.495 541 HG23 VAL 80 3HG2 VAL 80 -1.777 -2.503 1.359 542 H ASN 81 H ASN 81 -0.755 0.124 5.779 543 HA ASN 81 HA ASN 81 -2.049 2.726 5.971 544 HB2 ASN 81 1HB ASN 81 0.181 1.425 7.539 545 HB3 ASN 81 2HB ASN 81 -0.331 3.090 7.799 546 HD21 ASN 81 1HD2 ASN 81 -1.324 -0.264 7.949 547 HD22 ASN 81 2HD2 ASN 81 -2.618 -0.028 9.070 548 H ILE 82 H ILE 82 -1.333 4.504 4.990 549 HA ILE 82 HA ILE 82 1.446 4.584 4.040 550 HB ILE 82 HB ILE 82 -0.914 5.505 2.399 551 HG12 ILE 82 1HG1 ILE 82 0.880 3.198 1.701 552 HG13 ILE 82 2HG1 ILE 82 -0.523 2.956 2.735 553 HG21 ILE 82 1HG2 ILE 82 1.937 5.968 2.250 554 HG22 ILE 82 2HG2 ILE 82 1.322 5.209 0.782 555 HG23 ILE 82 3HG2 ILE 82 0.623 6.725 1.349 556 HD11 ILE 82 1HD1 ILE 82 -1.052 2.424 0.441 557 HD12 ILE 82 2HD1 ILE 82 -1.960 3.844 0.960 558 HD13 ILE 82 3HD1 ILE 82 -0.545 4.032 -0.074 559 H THR 83 H THR 83 2.419 6.276 4.915 560 HA THR 83 HA THR 83 0.875 8.759 5.287 561 HB THR 83 HB THR 83 2.292 9.227 7.288 562 HG1 THR 83 1HG THR 83 3.849 7.458 6.524 563 HG21 THR 83 1HG2 THR 83 1.161 7.514 8.767 564 HG22 THR 83 2HG2 THR 83 0.527 6.785 7.291 565 HG23 THR 83 3HG2 THR 83 0.092 8.440 7.714 566 H TYR 84 H TYR 84 1.801 10.605 4.583 567 HA TYR 84 HA TYR 84 4.449 10.368 3.334 568 HB2 TYR 84 1HB TYR 84 2.287 11.111 2.066 569 HB3 TYR 84 2HB TYR 84 2.579 12.662 2.846 570 HD1 TYR 84 1HD TYR 84 4.943 10.177 1.368 571 HD2 TYR 84 2HD TYR 84 3.345 14.118 1.215 572 HE1 TYR 84 1HE TYR 84 6.554 10.755 -0.398 573 HE2 TYR 84 2HE TYR 84 4.951 14.706 -0.552 574 HH TYR 84 HH TYR 84 7.378 13.735 -1.230 575 H GLY 85 H GLY 85 6.043 11.067 4.597 576 HA2 GLY 85 1HA GLY 85 7.327 12.587 5.771 577 HA3 GLY 85 2HA GLY 85 6.037 13.764 5.576 578 H GLY 86 H GLY 86 4.010 13.207 6.931 579 HA2 GLY 86 1HA GLY 86 4.464 11.769 9.376 580 HA3 GLY 86 2HA GLY 86 4.541 13.511 9.594 581 H ALA 87 H ALA 87 2.449 12.285 7.144 582 HA ALA 87 HA ALA 87 0.126 12.496 8.928 583 HB1 ALA 87 1HB ALA 87 0.336 14.660 7.864 584 HB2 ALA 87 2HB ALA 87 0.403 13.900 6.274 585 HB3 ALA 87 3HB ALA 87 -1.076 13.814 7.231 586 H HIS 88 H HIS 88 -1.896 11.686 7.835 587 HA HIS 88 HA HIS 88 -1.228 9.271 6.309 588 HB2 HIS 88 1HB HIS 88 -3.374 9.987 8.245 589 HB3 HIS 88 2HB HIS 88 -3.777 8.834 6.977 590 HD1 HIS 88 1HD HIS 88 -2.775 6.494 7.147 591 HD2 HIS 88 2HD HIS 88 -1.454 9.079 10.119 592 HE1 HIS 88 1HE HIS 88 -1.582 5.043 8.819 593 HE2 HIS 88 2HE HIS 88 -0.865 6.617 10.650 594 H ILE 89 H ILE 89 -1.956 8.937 4.290 595 HA ILE 89 HA ILE 89 -3.109 11.127 2.855 596 HB ILE 89 HB ILE 89 -2.959 9.739 0.893 597 HG12 ILE 89 1HG1 ILE 89 -2.102 7.420 2.617 598 HG13 ILE 89 2HG1 ILE 89 -3.785 7.662 2.158 599 HG21 ILE 89 1HG2 ILE 89 -0.856 10.535 1.165 600 HG22 ILE 89 2HG2 ILE 89 -0.691 9.860 2.785 601 HG23 ILE 89 3HG2 ILE 89 -0.497 8.821 1.374 602 HD11 ILE 89 1HD1 ILE 89 -2.638 6.069 0.702 603 HD12 ILE 89 2HD1 ILE 89 -3.195 7.491 -0.182 604 HD13 ILE 89 3HD1 ILE 89 -1.491 7.327 0.241 605 HA PRO 90 HA PRO 90 -7.390 10.183 3.149 606 HB2 PRO 90 1HB PRO 90 -8.266 11.105 0.750 607 HB3 PRO 90 2HB PRO 90 -7.769 12.175 2.067 608 HG2 PRO 90 1HG PRO 90 -6.232 11.305 -0.350 609 HG3 PRO 90 2HG PRO 90 -6.345 12.915 0.384 610 HD2 PRO 90 1HD PRO 90 -4.226 11.278 0.785 611 HD3 PRO 90 2HD PRO 90 -4.800 12.417 2.020 612 H GLY 91 H GLY 91 -7.241 7.880 3.157 613 HA2 GLY 91 1HA GLY 91 -8.765 6.439 1.502 614 HA3 GLY 91 2HA GLY 91 -7.254 6.485 0.606 615 H SER 92 H SER 92 -5.923 6.573 3.400 616 HA SER 92 HA SER 92 -5.907 3.654 3.732 617 HB2 SER 92 1HB SER 92 -3.697 4.143 3.385 618 HB3 SER 92 2HB SER 92 -3.850 5.781 4.018 619 HG SER 92 HG SER 92 -3.499 5.069 6.003 620 HA PRO 93 HA PRO 93 -4.710 2.380 5.331 621 HB2 PRO 93 1HB PRO 93 -5.972 0.348 6.616 622 HB3 PRO 93 2HB PRO 93 -4.729 1.344 7.382 623 HG2 PRO 93 1HG PRO 93 -7.708 1.535 7.598 624 HG3 PRO 93 2HG PRO 93 -6.484 1.667 8.873 625 HD2 PRO 93 1HD PRO 93 -7.671 3.833 7.764 626 HD3 PRO 93 2HD PRO 93 -5.997 3.859 8.353 627 H PHE 94 H PHE 94 -5.057 0.996 3.640 628 HA PHE 94 HA PHE 94 -7.729 1.056 2.458 629 HB2 PHE 94 1HB PHE 94 -5.028 0.303 1.334 630 HB3 PHE 94 2HB PHE 94 -6.532 0.133 0.436 631 HD1 PHE 94 2HD PHE 94 -4.609 2.693 2.345 632 HD2 PHE 94 1HD PHE 94 -7.203 1.858 -0.925 633 HE1 PHE 94 2HE PHE 94 -4.427 5.033 1.608 634 HE2 PHE 94 1HE PHE 94 -7.024 4.197 -1.668 635 HZ PHE 94 HZ PHE 94 -5.636 5.788 -0.401 636 H ARG 95 H ARG 95 -9.038 -0.564 2.968 637 HA ARG 95 HA ARG 95 -8.207 -3.018 4.070 638 HB2 ARG 95 1HB ARG 95 -10.429 -2.164 4.495 639 HB3 ARG 95 2HB ARG 95 -10.821 -2.219 2.782 640 HG2 ARG 95 1HG ARG 95 -11.872 -4.067 3.875 641 HG3 ARG 95 2HG ARG 95 -10.571 -4.683 2.854 642 HD2 ARG 95 1HD ARG 95 -10.416 -5.856 4.900 643 HD3 ARG 95 2HD ARG 95 -9.114 -4.667 4.914 644 HE ARG 95 HE ARG 95 -10.089 -3.700 6.735 645 HH11 ARG 95 1HH1 ARG 95 -12.466 -5.648 5.100 646 HH12 ARG 95 2HH1 ARG 95 -13.679 -5.421 6.316 647 HH21 ARG 95 1HH2 ARG 95 -11.677 -3.394 8.343 648 HH22 ARG 95 2HH2 ARG 95 -13.229 -4.138 8.160 649 H VAL 96 H VAL 96 -7.475 -4.821 3.156 650 HA VAL 96 HA VAL 96 -8.006 -5.275 0.296 651 HB VAL 96 HB VAL 96 -5.374 -5.838 1.668 652 HG11 VAL 96 1HG1 VAL 96 -5.208 -7.306 -0.022 653 HG12 VAL 96 2HG1 VAL 96 -6.533 -6.568 -0.924 654 HG13 VAL 96 3HG1 VAL 96 -4.912 -5.878 -1.013 655 HG21 VAL 96 1HG2 VAL 96 -6.211 -3.606 -0.171 656 HG22 VAL 96 2HG2 VAL 96 -5.557 -3.476 1.462 657 HG23 VAL 96 3HG2 VAL 96 -4.527 -4.026 0.140 658 HA PRO 97 HA PRO 97 -9.486 -9.081 2.160 659 HB2 PRO 97 1HB PRO 97 -10.625 -10.027 -0.115 660 HB3 PRO 97 2HB PRO 97 -11.389 -8.801 0.903 661 HG2 PRO 97 1HG PRO 97 -9.825 -8.457 -1.626 662 HG3 PRO 97 2HG PRO 97 -11.330 -7.665 -1.125 663 HD2 PRO 97 1HD PRO 97 -8.915 -6.456 -0.935 664 HD3 PRO 97 2HD PRO 97 -10.232 -6.144 0.214 665 H VAL 98 H VAL 98 -7.608 -10.218 2.543 666 HA VAL 98 HA VAL 98 -6.092 -11.314 0.319 667 HB VAL 98 HB VAL 98 -5.682 -11.578 3.301 668 HG11 VAL 98 1HG1 VAL 98 -3.944 -12.474 1.005 669 HG12 VAL 98 2HG1 VAL 98 -3.459 -12.466 2.702 670 HG13 VAL 98 3HG1 VAL 98 -4.775 -13.511 2.164 671 HG21 VAL 98 1HG2 VAL 98 -4.885 -9.504 3.109 672 HG22 VAL 98 2HG2 VAL 98 -3.549 -10.208 2.199 673 HG23 VAL 98 3HG2 VAL 98 -4.949 -9.558 1.347 674 H LYS 99 H LYS 99 -6.934 -13.047 -0.646 675 HA LYS 99 HA LYS 99 -8.410 -15.023 0.913 676 HB2 LYS 99 1HB LYS 99 -7.923 -14.979 -2.068 677 HB3 LYS 99 2HB LYS 99 -9.116 -15.937 -1.200 678 HG2 LYS 99 1HG LYS 99 -10.498 -14.125 -0.830 679 HG3 LYS 99 2HG LYS 99 -9.193 -12.956 -1.041 680 HD2 LYS 99 1HD LYS 99 -9.304 -13.045 -3.336 681 HD3 LYS 99 2HD LYS 99 -9.965 -14.681 -3.347 682 HE2 LYS 99 1HE LYS 99 -12.044 -13.608 -2.263 683 HE3 LYS 99 2HE LYS 99 -11.367 -12.081 -2.829 684 HZ1 LYS 99 1HZ LYS 99 -11.213 -13.654 -5.018 685 HZ2 LYS 99 2HZ LYS 99 -12.450 -12.543 -4.707 686 HZ3 LYS 99 3HZ LYS 99 -12.662 -14.175 -4.317 687 H ASP 100 H ASP 100 -7.975 -17.336 0.556 688 HA ASP 100 HA ASP 100 -5.088 -17.822 0.554 689 HB2 ASP 100 1HB ASP 100 -6.001 -20.168 1.355 690 HB3 ASP 100 2HB ASP 100 -5.898 -18.808 2.470 691 H VAL 101 H VAL 101 -4.104 -18.775 -1.099 692 HA VAL 101 HA VAL 101 -5.145 -19.259 -3.557 693 HB VAL 101 HB VAL 101 -2.920 -20.833 -2.252 694 HG11 VAL 101 1HG1 VAL 101 -4.189 -21.341 -4.673 695 HG12 VAL 101 2HG1 VAL 101 -2.719 -20.469 -5.112 696 HG13 VAL 101 3HG1 VAL 101 -2.616 -21.947 -4.155 697 HG21 VAL 101 1HG2 VAL 101 -2.625 -18.515 -4.135 698 HG22 VAL 101 2HG2 VAL 101 -2.772 -18.279 -2.394 699 HG23 VAL 101 3HG2 VAL 101 -1.427 -19.214 -3.046 700 H VAL 102 H VAL 102 -4.989 -21.567 -0.876 701 HA VAL 102 HA VAL 102 -6.955 -23.230 -2.302 702 HB VAL 102 HB VAL 102 -4.737 -24.314 -2.392 703 HG11 VAL 102 1HG1 VAL 102 -3.358 -24.313 -0.654 704 HG12 VAL 102 2HG1 VAL 102 -4.561 -23.417 0.275 705 HG13 VAL 102 3HG1 VAL 102 -4.542 -25.180 0.323 706 HG21 VAL 102 1HG2 VAL 102 -5.622 -26.378 -2.120 707 HG22 VAL 102 2HG2 VAL 102 -6.202 -26.034 -0.490 708 HG23 VAL 102 3HG2 VAL 102 -7.113 -25.464 -1.888 709 H ASP 103 H ASP 103 -8.653 -23.929 -1.120 710 HA ASP 103 HA ASP 103 -8.622 -23.338 1.768 711 HB2 ASP 103 1HB ASP 103 -11.079 -22.924 1.556 712 HB3 ASP 103 2HB ASP 103 -10.084 -21.759 0.686 713 HA PRO 104 HA PRO 104 -9.578 -27.574 2.452 714 HB2 PRO 104 1HB PRO 104 -10.797 -27.376 4.870 715 HB3 PRO 104 2HB PRO 104 -9.053 -27.186 4.655 716 HG2 PRO 104 1HG PRO 104 -11.168 -25.085 4.925 717 HG3 PRO 104 2HG PRO 104 -9.560 -25.156 5.669 718 HD2 PRO 104 1HD PRO 104 -10.090 -23.642 3.488 719 HD3 PRO 104 2HD PRO 104 -8.507 -24.396 3.765 720 H SER 105 H SER 105 -11.331 -29.064 2.613 721 HA SER 105 HA SER 105 -13.732 -28.118 1.341 722 HB2 SER 105 1HB SER 105 -14.381 -30.475 1.273 723 HB3 SER 105 2HB SER 105 -12.712 -30.287 0.733 724 HG SER 105 HG SER 105 -13.655 -31.251 3.220 Start of MODEL 8 1 H1 GLY 1 H GLY 1 6.716 36.656 1.251 2 HA2 GLY 1 1HA GLY 1 6.423 35.886 -1.021 3 HA3 GLY 1 2HA GLY 1 6.397 34.467 0.015 4 H SER 2 H SER 2 5.097 35.104 -2.614 5 HA SER 2 HA SER 2 2.329 34.489 -1.810 6 HB2 SER 2 1HB SER 2 1.848 35.474 -4.210 7 HB3 SER 2 2HB SER 2 2.036 36.548 -2.824 8 HG SER 2 HG SER 2 4.175 36.910 -3.455 9 H SER 3 H SER 3 5.006 33.796 -3.940 10 HA SER 3 HA SER 3 3.500 31.640 -5.231 11 HB2 SER 3 1HB SER 3 4.768 33.163 -6.696 12 HB3 SER 3 2HB SER 3 6.256 32.728 -5.857 13 HG SER 3 HG SER 3 4.719 31.245 -7.657 14 H GLY 4 H GLY 4 3.517 29.775 -4.158 15 HA2 GLY 4 1HA GLY 4 4.857 27.787 -3.707 16 HA3 GLY 4 2HA GLY 4 6.097 28.849 -3.059 17 H SER 5 H SER 5 5.028 26.625 -1.691 18 HA SER 5 HA SER 5 3.119 27.610 0.245 19 HB2 SER 5 1HB SER 5 3.474 25.355 1.306 20 HB3 SER 5 2HB SER 5 2.932 25.292 -0.371 21 HG SER 5 HG SER 5 5.681 25.285 0.134 22 H SER 6 H SER 6 3.706 27.030 2.641 23 HA SER 6 HA SER 6 5.810 28.782 3.395 24 HB2 SER 6 1HB SER 6 4.261 26.817 5.100 25 HB3 SER 6 2HB SER 6 5.238 28.158 5.697 26 HG SER 6 HG SER 6 3.545 29.355 5.441 27 H GLY 7 H GLY 7 5.398 25.257 3.747 28 HA2 GLY 7 1HA GLY 7 7.831 24.372 2.989 29 HA3 GLY 7 2HA GLY 7 8.140 24.947 4.621 30 H GLY 8 H GLY 8 5.368 23.222 3.194 31 HA2 GLY 8 1HA GLY 8 5.885 21.040 5.115 32 HA3 GLY 8 2HA GLY 8 4.271 21.697 4.891 33 H CYS 9 H CYS 9 3.686 19.470 4.398 34 HA CYS 9 HA CYS 9 4.225 18.838 1.575 35 HB2 CYS 9 1HB CYS 9 4.318 17.036 3.969 36 HB3 CYS 9 2HB CYS 9 3.866 16.379 2.400 37 HG CYS 9 HG CYS 9 6.267 16.004 1.603 38 H GLN 10 H GLN 10 2.540 17.550 0.537 39 HA GLN 10 HA GLN 10 -0.105 18.085 1.718 40 HB2 GLN 10 1HB GLN 10 0.726 17.967 -1.184 41 HB3 GLN 10 2HB GLN 10 -0.940 18.101 -0.638 42 HG2 GLN 10 1HG GLN 10 -0.483 20.289 -1.031 43 HG3 GLN 10 2HG GLN 10 0.003 20.184 0.660 44 HE21 GLN 10 1HE2 GLN 10 1.902 21.013 1.127 45 HE22 GLN 10 2HE2 GLN 10 3.219 21.230 0.031 46 HA PRO 11 HA PRO 11 0.169 13.519 1.640 47 HB2 PRO 11 1HB PRO 11 -1.479 13.181 3.772 48 HB3 PRO 11 2HB PRO 11 0.249 13.514 3.936 49 HG2 PRO 11 1HG PRO 11 -2.071 15.393 4.153 50 HG3 PRO 11 2HG PRO 11 -0.623 15.281 5.171 51 HD2 PRO 11 1HD PRO 11 -0.895 17.145 3.227 52 HD3 PRO 11 2HD PRO 11 0.677 16.450 3.670 53 H SER 12 H SER 12 -2.230 15.796 1.045 54 HA SER 12 HA SER 12 -4.358 13.844 0.643 55 HB2 SER 12 1HB SER 12 -5.686 15.894 -0.028 56 HB3 SER 12 2HB SER 12 -5.093 15.894 1.633 57 HG SER 12 HG SER 12 -4.426 17.528 -0.486 58 H ARG 13 H ARG 13 -1.990 15.616 -1.149 59 HA ARG 13 HA ARG 13 -3.259 15.301 -3.707 60 HB2 ARG 13 1HB ARG 13 -0.379 15.977 -3.083 61 HB3 ARG 13 2HB ARG 13 -1.195 16.201 -4.625 62 HG2 ARG 13 1HG ARG 13 -2.295 17.536 -2.201 63 HG3 ARG 13 2HG ARG 13 -0.859 18.203 -2.980 64 HD2 ARG 13 1HD ARG 13 -2.483 19.333 -4.122 65 HD3 ARG 13 2HD ARG 13 -2.324 17.911 -5.152 66 HE ARG 13 HE ARG 13 -4.469 17.361 -4.620 67 HH11 ARG 13 1HH1 ARG 13 -3.237 19.510 -2.173 68 HH12 ARG 13 2HH1 ARG 13 -4.749 19.634 -1.335 69 HH21 ARG 13 1HH2 ARG 13 -6.465 17.516 -3.526 70 HH22 ARG 13 2HH2 ARG 13 -6.584 18.498 -2.105 71 H VAL 14 H VAL 14 -1.585 13.238 -1.656 72 HA VAL 14 HA VAL 14 -0.164 11.674 -3.567 73 HB VAL 14 HB VAL 14 -1.159 10.699 -0.894 74 HG11 VAL 14 1HG1 VAL 14 0.208 8.950 -1.176 75 HG12 VAL 14 2HG1 VAL 14 0.210 9.403 -2.882 76 HG13 VAL 14 3HG1 VAL 14 1.508 9.952 -1.820 77 HG21 VAL 14 1HG2 VAL 14 1.013 11.526 0.008 78 HG22 VAL 14 2HG2 VAL 14 1.259 12.394 -1.507 79 HG23 VAL 14 3HG2 VAL 14 -0.101 12.808 -0.464 80 H GLN 15 H GLN 15 -0.710 9.731 -4.526 81 HA GLN 15 HA GLN 15 -3.515 8.879 -4.279 82 HB2 GLN 15 1HB GLN 15 -3.093 8.282 -6.849 83 HB3 GLN 15 2HB GLN 15 -3.739 9.835 -6.333 84 HG2 GLN 15 1HG GLN 15 -1.512 10.813 -6.451 85 HG3 GLN 15 2HG GLN 15 -0.850 9.256 -6.946 86 HE21 GLN 15 1HE2 GLN 15 -1.517 12.130 -8.117 87 HE22 GLN 15 2HE2 GLN 15 -2.012 11.739 -9.725 88 H ALA 16 H ALA 16 -3.866 6.715 -4.231 89 HA ALA 16 HA ALA 16 -1.614 4.923 -4.812 90 HB1 ALA 16 1HB ALA 16 -1.530 3.982 -2.756 91 HB2 ALA 16 2HB ALA 16 -2.122 5.570 -2.266 92 HB3 ALA 16 3HB ALA 16 -3.250 4.227 -2.452 93 H GLN 17 H GLN 17 -2.256 3.477 -6.256 94 HA GLN 17 HA GLN 17 -4.860 2.200 -5.966 95 HB2 GLN 17 1HB GLN 17 -5.454 2.539 -8.305 96 HB3 GLN 17 2HB GLN 17 -5.259 4.085 -7.491 97 HG2 GLN 17 1HG GLN 17 -4.129 4.530 -9.402 98 HG3 GLN 17 2HG GLN 17 -2.806 3.874 -8.438 99 HE21 GLN 17 1HE2 GLN 17 -2.141 3.714 -10.848 100 HE22 GLN 17 2HE2 GLN 17 -2.432 2.179 -11.585 101 H GLY 18 H GLY 18 -5.029 0.174 -7.037 102 HA2 GLY 18 1HA GLY 18 -3.559 -1.159 -8.775 103 HA3 GLY 18 2HA GLY 18 -2.419 -1.081 -7.440 104 HA PRO 19 HA PRO 19 -5.127 -4.880 -7.044 105 HB2 PRO 19 1HB PRO 19 -3.086 -6.669 -6.979 106 HB3 PRO 19 2HB PRO 19 -3.846 -6.134 -8.482 107 HG2 PRO 19 1HG PRO 19 -1.293 -5.214 -7.219 108 HG3 PRO 19 2HG PRO 19 -1.635 -5.567 -8.923 109 HD2 PRO 19 1HD PRO 19 -1.575 -3.044 -7.943 110 HD3 PRO 19 2HD PRO 19 -2.645 -3.526 -9.275 111 H GLY 20 H GLY 20 -2.024 -4.058 -5.521 112 HA2 GLY 20 1HA GLY 20 -2.355 -5.582 -3.182 113 HA3 GLY 20 2HA GLY 20 -1.323 -4.168 -3.339 114 H LEU 21 H LEU 21 -4.117 -2.917 -4.218 115 HA LEU 21 HA LEU 21 -4.836 -2.173 -1.464 116 HB2 LEU 21 1HB LEU 21 -5.335 -0.680 -4.035 117 HB3 LEU 21 2HB LEU 21 -5.752 -0.122 -2.417 118 HG LEU 21 HG LEU 21 -2.931 -0.619 -3.361 119 HD11 LEU 21 1HD1 LEU 21 -3.042 2.028 -3.100 120 HD12 LEU 21 2HD1 LEU 21 -4.710 1.736 -3.592 121 HD13 LEU 21 3HD1 LEU 21 -3.381 1.209 -4.624 122 HD21 LEU 21 1HD2 LEU 21 -2.291 0.580 -1.369 123 HD22 LEU 21 2HD2 LEU 21 -3.325 -0.779 -0.925 124 HD23 LEU 21 3HD2 LEU 21 -3.981 0.859 -0.951 125 H LYS 22 H LYS 22 -6.086 -3.300 -4.535 126 HA LYS 22 HA LYS 22 -8.842 -3.177 -3.702 127 HB2 LYS 22 1HB LYS 22 -7.369 -4.046 -6.135 128 HB3 LYS 22 2HB LYS 22 -8.958 -4.750 -5.863 129 HG2 LYS 22 1HG LYS 22 -9.124 -2.805 -7.289 130 HG3 LYS 22 2HG LYS 22 -9.927 -2.504 -5.745 131 HD2 LYS 22 1HD LYS 22 -7.893 -1.323 -4.968 132 HD3 LYS 22 2HD LYS 22 -7.183 -1.552 -6.568 133 HE2 LYS 22 1HE LYS 22 -9.157 -0.333 -7.515 134 HE3 LYS 22 2HE LYS 22 -9.646 0.035 -5.862 135 HZ1 LYS 22 1HZ LYS 22 -8.116 1.629 -5.695 136 HZ2 LYS 22 2HZ LYS 22 -8.003 1.553 -7.381 137 HZ3 LYS 22 3HZ LYS 22 -6.905 0.696 -6.420 138 H GLU 23 H GLU 23 -6.653 -5.867 -4.554 139 HA GLU 23 HA GLU 23 -7.613 -7.438 -2.341 140 HB2 GLU 23 1HB GLU 23 -8.659 -9.186 -3.524 141 HB3 GLU 23 2HB GLU 23 -9.333 -7.711 -4.205 142 HG2 GLU 23 1HG GLU 23 -7.973 -7.895 -6.150 143 HG3 GLU 23 2HG GLU 23 -7.045 -9.216 -5.443 144 H ALA 24 H ALA 24 -6.284 -9.190 -1.864 145 HA ALA 24 HA ALA 24 -3.978 -9.624 -3.631 146 HB1 ALA 24 1HB ALA 24 -2.507 -9.687 -1.620 147 HB2 ALA 24 2HB ALA 24 -3.171 -8.093 -1.980 148 HB3 ALA 24 3HB ALA 24 -3.858 -9.060 -0.674 149 H PHE 25 H PHE 25 -2.600 -11.509 -2.452 150 HA PHE 25 HA PHE 25 -4.482 -13.601 -1.609 151 HB2 PHE 25 1HB PHE 25 -2.599 -13.629 -3.923 152 HB3 PHE 25 2HB PHE 25 -2.837 -15.126 -3.027 153 HD1 PHE 25 2HD PHE 25 -4.460 -12.589 -5.125 154 HD2 PHE 25 1HD PHE 25 -4.888 -16.340 -3.160 155 HE1 PHE 25 2HE PHE 25 -6.522 -13.016 -6.397 156 HE2 PHE 25 1HE PHE 25 -6.951 -16.773 -4.429 157 HZ PHE 25 HZ PHE 25 -7.771 -15.110 -6.049 158 H THR 26 H THR 26 -3.266 -15.561 -0.756 159 HA THR 26 HA THR 26 -1.394 -14.635 1.232 160 HB THR 26 HB THR 26 -1.457 -16.977 2.059 161 HG1 THR 26 1HG THR 26 -2.077 -17.648 -0.293 162 HG21 THR 26 1HG2 THR 26 -4.030 -16.979 2.442 163 HG22 THR 26 2HG2 THR 26 -3.979 -15.427 1.606 164 HG23 THR 26 3HG2 THR 26 -3.062 -15.658 3.094 165 H ASN 27 H ASN 27 0.755 -14.778 1.166 166 HA ASN 27 HA ASN 27 2.868 -15.267 0.483 167 HB2 ASN 27 1HB ASN 27 1.521 -17.809 -0.449 168 HB3 ASN 27 2HB ASN 27 3.264 -17.558 -0.463 169 HD21 ASN 27 1HD2 ASN 27 0.578 -17.059 1.808 170 HD22 ASN 27 2HD2 ASN 27 1.367 -17.786 3.162 171 H LYS 28 H LYS 28 0.974 -13.855 -1.279 172 HA LYS 28 HA LYS 28 2.277 -14.413 -3.864 173 HB2 LYS 28 1HB LYS 28 -0.534 -13.561 -3.227 174 HB3 LYS 28 2HB LYS 28 0.175 -13.221 -4.800 175 HG2 LYS 28 1HG LYS 28 0.737 -15.802 -4.705 176 HG3 LYS 28 2HG LYS 28 -0.641 -15.808 -3.601 177 HD2 LYS 28 1HD LYS 28 -2.125 -15.151 -5.238 178 HD3 LYS 28 2HD LYS 28 -0.871 -14.383 -6.214 179 HE2 LYS 28 1HE LYS 28 -1.102 -17.360 -5.802 180 HE3 LYS 28 2HE LYS 28 -1.800 -16.500 -7.174 181 HZ1 LYS 28 1HZ LYS 28 0.152 -16.540 -8.187 182 HZ2 LYS 28 2HZ LYS 28 0.787 -17.467 -6.923 183 HZ3 LYS 28 3HZ LYS 28 0.911 -15.781 -6.880 184 HA PRO 29 HA PRO 29 3.953 -10.348 -3.671 185 HB2 PRO 29 1HB PRO 29 4.372 -9.925 -6.320 186 HB3 PRO 29 2HB PRO 29 5.372 -11.014 -5.351 187 HG2 PRO 29 1HG PRO 29 3.101 -11.661 -7.191 188 HG3 PRO 29 2HG PRO 29 4.662 -12.482 -7.009 189 HD2 PRO 29 1HD PRO 29 2.383 -13.419 -5.885 190 HD3 PRO 29 2HD PRO 29 3.978 -13.638 -5.136 191 H ASN 30 H ASN 30 2.514 -8.819 -3.063 192 HA ASN 30 HA ASN 30 0.562 -7.897 -5.068 193 HB2 ASN 30 1HB ASN 30 0.295 -7.258 -2.152 194 HB3 ASN 30 2HB ASN 30 -0.958 -7.400 -3.381 195 HD21 ASN 30 1HD2 ASN 30 0.846 -8.997 -0.971 196 HD22 ASN 30 2HD2 ASN 30 0.133 -10.561 -1.148 197 H VAL 31 H VAL 31 1.025 -6.013 -5.970 198 HA VAL 31 HA VAL 31 2.447 -3.989 -4.370 199 HB VAL 31 HB VAL 31 3.708 -3.280 -6.292 200 HG11 VAL 31 1HG1 VAL 31 5.280 -4.919 -6.213 201 HG12 VAL 31 2HG1 VAL 31 4.249 -5.484 -4.897 202 HG13 VAL 31 3HG1 VAL 31 4.112 -6.208 -6.499 203 HG21 VAL 31 1HG2 VAL 31 1.814 -3.965 -7.894 204 HG22 VAL 31 2HG2 VAL 31 3.479 -4.112 -8.459 205 HG23 VAL 31 3HG2 VAL 31 2.602 -5.543 -7.918 206 H PHE 32 H PHE 32 2.285 -1.771 -5.522 207 HA PHE 32 HA PHE 32 -0.159 -1.350 -7.007 208 HB2 PHE 32 1HB PHE 32 -0.874 0.414 -5.243 209 HB3 PHE 32 2HB PHE 32 -1.238 -1.281 -4.939 210 HD1 PHE 32 2HD PHE 32 0.270 -2.583 -3.400 211 HD2 PHE 32 1HD PHE 32 0.449 1.654 -3.765 212 HE1 PHE 32 2HE PHE 32 1.456 -2.451 -1.248 213 HE2 PHE 32 1HE PHE 32 1.636 1.793 -1.614 214 HZ PHE 32 HZ PHE 32 2.140 -0.261 -0.353 215 H THR 33 H THR 33 -0.415 0.904 -7.687 216 HA THR 33 HA THR 33 2.203 2.143 -8.092 217 HB THR 33 HB THR 33 -0.361 3.003 -9.418 218 HG1 THR 33 1HG THR 33 1.428 1.149 -10.584 219 HG21 THR 33 1HG2 THR 33 2.505 3.577 -9.707 220 HG22 THR 33 2HG2 THR 33 1.103 4.543 -10.167 221 HG23 THR 33 3HG2 THR 33 1.667 3.248 -11.223 222 H VAL 34 H VAL 34 2.777 4.038 -7.216 223 HA VAL 34 HA VAL 34 0.696 5.653 -5.898 224 HB VAL 34 HB VAL 34 3.472 5.123 -4.829 225 HG11 VAL 34 1HG1 VAL 34 1.298 6.512 -3.322 226 HG12 VAL 34 2HG1 VAL 34 3.046 6.593 -3.100 227 HG13 VAL 34 3HG1 VAL 34 2.290 7.416 -4.465 228 HG21 VAL 34 1HG2 VAL 34 2.552 3.711 -3.241 229 HG22 VAL 34 2HG2 VAL 34 0.925 4.355 -3.460 230 HG23 VAL 34 3HG2 VAL 34 1.629 3.302 -4.687 231 H VAL 35 H VAL 35 0.546 7.492 -6.999 232 HA VAL 35 HA VAL 35 2.962 8.663 -8.182 233 HB VAL 35 HB VAL 35 0.033 9.129 -8.709 234 HG11 VAL 35 1HG1 VAL 35 2.380 10.681 -9.795 235 HG12 VAL 35 2HG1 VAL 35 0.714 10.815 -10.362 236 HG13 VAL 35 3HG1 VAL 35 1.129 11.297 -8.717 237 HG21 VAL 35 1HG2 VAL 35 0.440 7.485 -10.169 238 HG22 VAL 35 2HG2 VAL 35 1.332 8.695 -11.092 239 HG23 VAL 35 3HG2 VAL 35 2.188 7.629 -9.977 240 H THR 36 H THR 36 3.933 9.767 -6.538 241 HA THR 36 HA THR 36 2.329 11.653 -4.972 242 HB THR 36 HB THR 36 4.240 11.856 -3.494 243 HG1 THR 36 1HG THR 36 5.649 9.929 -5.007 244 HG21 THR 36 1HG2 THR 36 2.879 9.395 -4.029 245 HG22 THR 36 2HG2 THR 36 3.455 10.031 -2.487 246 HG23 THR 36 3HG2 THR 36 4.521 9.047 -3.490 247 H ARG 37 H ARG 37 2.838 12.216 -7.733 248 HA ARG 37 HA ARG 37 4.963 14.153 -7.878 249 HB2 ARG 37 1HB ARG 37 2.773 13.329 -9.777 250 HB3 ARG 37 2HB ARG 37 3.876 14.651 -10.135 251 HG2 ARG 37 1HG ARG 37 4.862 11.902 -9.450 252 HG3 ARG 37 2HG ARG 37 4.433 12.367 -11.098 253 HD2 ARG 37 1HD ARG 37 6.455 13.786 -9.368 254 HD3 ARG 37 2HD ARG 37 6.847 12.606 -10.618 255 HE ARG 37 HE ARG 37 6.146 15.355 -11.001 256 HH11 ARG 37 1HH1 ARG 37 6.081 12.188 -12.447 257 HH12 ARG 37 2HH1 ARG 37 6.047 12.788 -14.072 258 HH21 ARG 37 1HH2 ARG 37 6.102 16.157 -13.136 259 HH22 ARG 37 2HH2 ARG 37 6.060 15.046 -14.463 260 H GLY 38 H GLY 38 4.526 15.737 -6.354 261 HA2 GLY 38 1HA GLY 38 3.609 18.078 -6.659 262 HA3 GLY 38 2HA GLY 38 2.046 17.283 -6.780 263 H ALA 39 H ALA 39 2.615 15.320 -4.722 264 HA ALA 39 HA ALA 39 1.491 16.390 -2.513 265 HB1 ALA 39 1HB ALA 39 1.957 14.439 -1.488 266 HB2 ALA 39 2HB ALA 39 2.528 13.967 -3.089 267 HB3 ALA 39 3HB ALA 39 3.676 14.524 -1.872 268 H GLY 40 H GLY 40 5.033 16.034 -2.852 269 HA2 GLY 40 1HA GLY 40 5.989 18.446 -2.272 270 HA3 GLY 40 2HA GLY 40 5.421 17.945 -0.686 271 H ILE 41 H ILE 41 7.482 17.936 0.213 272 HA ILE 41 HA ILE 41 9.241 15.779 -0.760 273 HB ILE 41 HB ILE 41 10.165 18.243 0.714 274 HG12 ILE 41 1HG1 ILE 41 11.158 18.802 -1.597 275 HG13 ILE 41 2HG1 ILE 41 9.985 17.655 -2.235 276 HG21 ILE 41 1HG2 ILE 41 11.552 16.194 0.903 277 HG22 ILE 41 2HG2 ILE 41 11.729 16.198 -0.851 278 HG23 ILE 41 3HG2 ILE 41 12.378 17.531 0.104 279 HD11 ILE 41 1HD1 ILE 41 9.619 20.380 -1.612 280 HD12 ILE 41 2HD1 ILE 41 8.436 19.226 -2.229 281 HD13 ILE 41 3HD1 ILE 41 8.635 19.442 -0.490 282 H GLY 42 H GLY 42 8.968 14.103 0.576 283 HA2 GLY 42 1HA GLY 42 9.700 14.342 3.332 284 HA3 GLY 42 2HA GLY 42 7.972 14.083 3.137 285 H GLY 43 H GLY 43 9.322 12.232 4.532 286 HA2 GLY 43 1HA GLY 43 10.162 10.081 2.768 287 HA3 GLY 43 2HA GLY 43 10.164 10.052 4.525 288 H LEU 44 H LEU 44 8.779 8.715 1.876 289 HA LEU 44 HA LEU 44 6.080 8.473 2.888 290 HB2 LEU 44 1HB LEU 44 6.253 8.575 0.541 291 HB3 LEU 44 2HB LEU 44 7.527 7.357 0.505 292 HG LEU 44 HG LEU 44 5.932 5.620 1.048 293 HD11 LEU 44 1HD1 LEU 44 3.431 6.768 0.755 294 HD12 LEU 44 2HD1 LEU 44 4.293 7.883 1.815 295 HD13 LEU 44 3HD1 LEU 44 4.150 6.181 2.255 296 HD21 LEU 44 1HD2 LEU 44 5.312 7.441 -1.244 297 HD22 LEU 44 2HD2 LEU 44 4.349 5.989 -0.969 298 HD23 LEU 44 3HD2 LEU 44 6.085 5.855 -1.251 299 H GLY 45 H GLY 45 5.289 6.861 4.099 300 HA2 GLY 45 1HA GLY 45 6.973 4.461 4.462 301 HA3 GLY 45 2HA GLY 45 6.209 5.268 5.823 302 H ILE 46 H ILE 46 5.947 2.731 3.729 303 HA ILE 46 HA ILE 46 3.019 2.603 4.046 304 HB ILE 46 HB ILE 46 4.695 1.144 2.000 305 HG12 ILE 46 1HG1 ILE 46 2.835 3.490 1.573 306 HG13 ILE 46 2HG1 ILE 46 4.586 3.634 1.684 307 HG21 ILE 46 1HG2 ILE 46 2.897 -0.098 1.622 308 HG22 ILE 46 2HG2 ILE 46 2.072 0.702 2.959 309 HG23 ILE 46 3HG2 ILE 46 1.937 1.351 1.325 310 HD11 ILE 46 1HD1 ILE 46 4.919 2.796 -0.383 311 HD12 ILE 46 2HD1 ILE 46 3.537 1.705 -0.287 312 HD13 ILE 46 3HD1 ILE 46 3.287 3.417 -0.627 313 H THR 47 H THR 47 2.333 1.197 5.505 314 HA THR 47 HA THR 47 3.914 -1.244 5.975 315 HB THR 47 HB THR 47 2.918 -1.051 8.382 316 HG1 THR 47 1HG THR 47 2.384 0.974 9.016 317 HG21 THR 47 1HG2 THR 47 5.249 -1.031 8.178 318 HG22 THR 47 2HG2 THR 47 4.889 0.489 8.998 319 HG23 THR 47 3HG2 THR 47 5.249 0.481 7.272 320 H VAL 48 H VAL 48 2.680 -3.054 6.844 321 HA VAL 48 HA VAL 48 -0.185 -2.923 6.164 322 HB VAL 48 HB VAL 48 1.797 -5.090 5.489 323 HG11 VAL 48 1HG1 VAL 48 -0.598 -5.977 4.517 324 HG12 VAL 48 2HG1 VAL 48 0.179 -6.558 5.992 325 HG13 VAL 48 3HG1 VAL 48 -1.060 -5.305 6.080 326 HG21 VAL 48 1HG2 VAL 48 0.543 -4.762 3.238 327 HG22 VAL 48 2HG2 VAL 48 0.049 -3.220 3.939 328 HG23 VAL 48 3HG2 VAL 48 1.762 -3.585 3.729 329 H GLU 49 H GLU 49 -1.569 -3.785 7.607 330 HA GLU 49 HA GLU 49 -0.424 -5.294 9.864 331 HB2 GLU 49 1HB GLU 49 -2.348 -3.003 9.845 332 HB3 GLU 49 2HB GLU 49 -2.465 -4.212 11.117 333 HG2 GLU 49 1HG GLU 49 0.005 -3.789 11.531 334 HG3 GLU 49 2HG GLU 49 -0.182 -2.368 10.505 335 H GLY 50 H GLY 50 -1.444 -7.134 10.454 336 HA2 GLY 50 1HA GLY 50 -4.179 -7.684 9.883 337 HA3 GLY 50 2HA GLY 50 -3.127 -8.482 8.724 338 HA PRO 51 HA PRO 51 -3.693 -11.309 12.353 339 HB2 PRO 51 1HB PRO 51 -4.172 -13.521 10.853 340 HB3 PRO 51 2HB PRO 51 -5.444 -12.390 11.331 341 HG2 PRO 51 1HG PRO 51 -3.970 -12.597 8.733 342 HG3 PRO 51 2HG PRO 51 -5.701 -12.338 9.020 343 HD2 PRO 51 1HD PRO 51 -4.010 -10.319 8.389 344 HD3 PRO 51 2HD PRO 51 -5.422 -10.088 9.439 345 H SER 52 H SER 52 -1.601 -11.001 9.699 346 HA SER 52 HA SER 52 0.458 -12.503 11.077 347 HB2 SER 52 1HB SER 52 0.952 -14.040 9.355 348 HB3 SER 52 2HB SER 52 -0.804 -14.099 9.502 349 HG SER 52 HG SER 52 -0.541 -12.292 7.777 350 H GLU 53 H GLU 53 2.563 -11.943 10.442 351 HA GLU 53 HA GLU 53 2.850 -9.298 9.458 352 HB2 GLU 53 1HB GLU 53 4.409 -10.198 11.089 353 HB3 GLU 53 2HB GLU 53 4.911 -11.451 9.963 354 HG2 GLU 53 1HG GLU 53 5.824 -9.740 8.472 355 HG3 GLU 53 2HG GLU 53 5.336 -8.491 9.617 356 H SER 54 H SER 54 3.279 -8.542 7.472 357 HA SER 54 HA SER 54 3.558 -10.516 5.309 358 HB2 SER 54 1HB SER 54 2.570 -7.656 5.203 359 HB3 SER 54 2HB SER 54 2.687 -8.745 3.821 360 HG SER 54 HG SER 54 1.238 -9.548 6.085 361 H LYS 55 H LYS 55 5.149 -10.311 3.765 362 HA LYS 55 HA LYS 55 7.516 -8.897 4.589 363 HB2 LYS 55 1HB LYS 55 6.822 -10.874 2.476 364 HB3 LYS 55 2HB LYS 55 8.233 -9.861 2.205 365 HG2 LYS 55 1HG LYS 55 9.330 -10.697 4.111 366 HG3 LYS 55 2HG LYS 55 7.852 -11.438 4.730 367 HD2 LYS 55 1HD LYS 55 7.983 -13.219 3.298 368 HD3 LYS 55 2HD LYS 55 8.841 -12.299 2.060 369 HE2 LYS 55 1HE LYS 55 10.361 -13.897 2.980 370 HE3 LYS 55 2HE LYS 55 10.840 -12.299 3.552 371 HZ1 LYS 55 1HZ LYS 55 10.072 -12.740 5.676 372 HZ2 LYS 55 2HZ LYS 55 10.757 -14.219 5.222 373 HZ3 LYS 55 3HZ LYS 55 9.078 -14.016 5.179 374 H ILE 56 H ILE 56 7.201 -6.714 4.388 375 HA ILE 56 HA ILE 56 6.238 -5.623 1.867 376 HB ILE 56 HB ILE 56 6.914 -4.385 4.522 377 HG12 ILE 56 1HG1 ILE 56 4.381 -4.262 2.880 378 HG13 ILE 56 2HG1 ILE 56 4.686 -5.499 4.094 379 HG21 ILE 56 1HG2 ILE 56 6.349 -2.198 3.563 380 HG22 ILE 56 2HG2 ILE 56 7.793 -2.888 2.826 381 HG23 ILE 56 3HG2 ILE 56 6.256 -2.933 1.963 382 HD11 ILE 56 1HD1 ILE 56 5.072 -3.492 5.679 383 HD12 ILE 56 2HD1 ILE 56 4.191 -2.581 4.452 384 HD13 ILE 56 3HD1 ILE 56 3.427 -3.957 5.247 385 H ASN 57 H ASN 57 7.427 -4.237 0.540 386 HA ASN 57 HA ASN 57 10.240 -3.793 1.100 387 HB2 ASN 57 1HB ASN 57 9.282 -5.492 -1.206 388 HB3 ASN 57 2HB ASN 57 10.874 -4.739 -1.169 389 HD21 ASN 57 1HD2 ASN 57 9.236 -7.504 -0.555 390 HD22 ASN 57 2HD2 ASN 57 10.311 -8.237 0.582 391 H CYS 58 H CYS 58 10.435 -1.688 0.743 392 HA CYS 58 HA CYS 58 8.775 -0.357 -1.231 393 HB2 CYS 58 1HB CYS 58 9.615 1.705 -0.301 394 HB3 CYS 58 2HB CYS 58 9.180 0.632 1.024 395 HG CYS 58 HG CYS 58 12.384 1.099 -0.086 396 H ARG 59 H ARG 59 9.475 0.600 -3.094 397 HA ARG 59 HA ARG 59 12.289 0.129 -3.833 398 HB2 ARG 59 1HB ARG 59 10.355 -1.219 -4.987 399 HB3 ARG 59 2HB ARG 59 10.121 0.271 -5.890 400 HG2 ARG 59 1HG ARG 59 11.530 -0.954 -7.252 401 HG3 ARG 59 2HG ARG 59 12.644 0.106 -6.385 402 HD2 ARG 59 1HD ARG 59 13.673 -1.977 -6.263 403 HD3 ARG 59 2HD ARG 59 12.851 -1.834 -4.710 404 HE ARG 59 HE ARG 59 11.060 -3.110 -6.336 405 HH11 ARG 59 1HH1 ARG 59 14.336 -3.694 -5.314 406 HH12 ARG 59 2HH1 ARG 59 14.197 -5.419 -5.411 407 HH21 ARG 59 1HH2 ARG 59 10.864 -5.379 -6.468 408 HH22 ARG 59 2HH2 ARG 59 12.222 -6.376 -6.068 409 H ASP 60 H ASP 60 13.404 1.775 -4.764 410 HA ASP 60 HA ASP 60 12.105 4.391 -4.751 411 HB2 ASP 60 1HB ASP 60 14.220 4.170 -3.534 412 HB3 ASP 60 2HB ASP 60 15.025 3.643 -5.010 413 H ASN 61 H ASN 61 11.291 5.164 -6.573 414 HA ASN 61 HA ASN 61 12.346 4.198 -9.133 415 HB2 ASN 61 1HB ASN 61 9.849 5.846 -8.781 416 HB3 ASN 61 2HB ASN 61 10.275 4.770 -10.109 417 HD21 ASN 61 1HD2 ASN 61 8.515 5.089 -7.308 418 HD22 ASN 61 2HD2 ASN 61 8.160 3.423 -7.021 419 H LYS 62 H LYS 62 13.613 5.453 -10.321 420 HA LYS 62 HA LYS 62 14.012 8.227 -9.556 421 HB2 LYS 62 1HB LYS 62 15.455 6.272 -11.299 422 HB3 LYS 62 2HB LYS 62 15.730 7.992 -11.543 423 HG2 LYS 62 1HG LYS 62 16.268 8.126 -9.079 424 HG3 LYS 62 2HG LYS 62 16.274 6.361 -9.080 425 HD2 LYS 62 1HD LYS 62 17.891 7.768 -11.142 426 HD3 LYS 62 2HD LYS 62 18.484 7.768 -9.480 427 HE2 LYS 62 1HE LYS 62 18.118 5.247 -9.525 428 HE3 LYS 62 2HE LYS 62 17.934 5.415 -11.270 429 HZ1 LYS 62 1HZ LYS 62 20.206 6.749 -10.862 430 HZ2 LYS 62 2HZ LYS 62 20.143 5.104 -11.248 431 HZ3 LYS 62 3HZ LYS 62 20.322 5.588 -9.637 432 H ASP 63 H ASP 63 11.479 7.662 -10.679 433 HA ASP 63 HA ASP 63 11.664 9.156 -13.213 434 HB2 ASP 63 1HB ASP 63 10.886 6.730 -13.380 435 HB3 ASP 63 2HB ASP 63 9.432 7.246 -12.529 436 H GLY 64 H GLY 64 9.256 8.321 -10.707 437 HA2 GLY 64 1HA GLY 64 8.801 10.741 -9.581 438 HA3 GLY 64 2HA GLY 64 7.900 10.843 -11.086 439 H SER 65 H SER 65 8.387 8.245 -8.696 440 HA SER 65 HA SER 65 5.710 8.351 -7.742 441 HB2 SER 65 1HB SER 65 5.168 5.985 -8.655 442 HB3 SER 65 2HB SER 65 4.967 7.364 -9.735 443 HG SER 65 HG SER 65 7.164 5.570 -9.639 444 H CYS 66 H CYS 66 5.244 6.005 -6.672 445 HA CYS 66 HA CYS 66 7.723 5.067 -5.413 446 HB2 CYS 66 1HB CYS 66 5.290 6.176 -4.048 447 HB3 CYS 66 2HB CYS 66 6.279 4.965 -3.242 448 HG CYS 66 HG CYS 66 7.281 8.077 -4.243 449 H SER 67 H SER 67 7.835 2.915 -5.156 450 HA SER 67 HA SER 67 5.401 1.357 -5.734 451 HB2 SER 67 1HB SER 67 7.563 1.309 -7.270 452 HB3 SER 67 2HB SER 67 8.121 0.162 -6.052 453 HG SER 67 HG SER 67 5.812 -0.721 -6.502 454 H ALA 68 H ALA 68 4.762 -0.193 -4.338 455 HA ALA 68 HA ALA 68 6.560 -0.984 -2.166 456 HB1 ALA 68 1HB ALA 68 5.493 0.389 -0.762 457 HB2 ALA 68 2HB ALA 68 4.160 0.653 -1.887 458 HB3 ALA 68 3HB ALA 68 4.168 -0.772 -0.847 459 H GLU 69 H GLU 69 6.616 -3.123 -2.065 460 HA GLU 69 HA GLU 69 4.247 -4.636 -2.948 461 HB2 GLU 69 1HB GLU 69 5.764 -6.452 -3.555 462 HB3 GLU 69 2HB GLU 69 6.199 -4.969 -4.393 463 HG2 GLU 69 1HG GLU 69 7.833 -4.669 -2.370 464 HG3 GLU 69 2HG GLU 69 7.635 -6.415 -2.227 465 H TYR 70 H TYR 70 3.462 -6.274 -1.685 466 HA TYR 70 HA TYR 70 4.853 -6.876 0.824 467 HB2 TYR 70 1HB TYR 70 2.838 -6.591 2.134 468 HB3 TYR 70 2HB TYR 70 3.173 -5.096 1.267 469 HD1 TYR 70 2HD TYR 70 0.945 -8.007 1.494 470 HD2 TYR 70 1HD TYR 70 1.693 -4.305 -0.465 471 HE1 TYR 70 2HE TYR 70 -1.327 -8.052 0.553 472 HE2 TYR 70 1HE TYR 70 -0.578 -4.339 -1.410 473 HH TYR 70 HH TYR 70 -2.890 -5.534 -0.598 474 H ILE 71 H ILE 71 4.403 -8.907 1.702 475 HA ILE 71 HA ILE 71 2.691 -10.678 0.099 476 HB ILE 71 HB ILE 71 5.514 -11.272 0.986 477 HG12 ILE 71 1HG1 ILE 71 4.342 -11.465 -1.785 478 HG13 ILE 71 2HG1 ILE 71 5.046 -9.972 -1.174 479 HG21 ILE 71 1HG2 ILE 71 4.703 -13.426 -0.488 480 HG22 ILE 71 2HG2 ILE 71 4.785 -13.368 1.271 481 HG23 ILE 71 3HG2 ILE 71 3.258 -13.049 0.449 482 HD11 ILE 71 1HD1 ILE 71 6.769 -12.295 -0.823 483 HD12 ILE 71 2HD1 ILE 71 6.388 -11.935 -2.508 484 HD13 ILE 71 3HD1 ILE 71 7.126 -10.700 -1.486 485 HA PRO 72 HA PRO 72 1.333 -11.311 4.354 486 HB2 PRO 72 1HB PRO 72 -0.990 -12.532 3.658 487 HB3 PRO 72 2HB PRO 72 -0.785 -10.776 3.641 488 HG2 PRO 72 1HG PRO 72 -0.653 -12.721 1.369 489 HG3 PRO 72 2HG PRO 72 -1.433 -11.130 1.436 490 HD2 PRO 72 1HD PRO 72 0.982 -11.520 0.276 491 HD3 PRO 72 2HD PRO 72 0.548 -10.004 1.091 492 H PHE 73 H PHE 73 0.557 -13.290 5.528 493 HA PHE 73 HA PHE 73 1.708 -15.735 4.355 494 HB2 PHE 73 1HB PHE 73 1.907 -14.734 7.199 495 HB3 PHE 73 2HB PHE 73 2.339 -16.369 6.711 496 HD1 PHE 73 1HD PHE 73 3.021 -12.895 5.518 497 HD2 PHE 73 2HD PHE 73 4.580 -16.741 6.464 498 HE1 PHE 73 1HE PHE 73 5.283 -12.118 4.937 499 HE2 PHE 73 2HE PHE 73 6.844 -15.970 5.886 500 HZ PHE 73 HZ PHE 73 7.197 -13.655 5.122 501 H ALA 74 H ALA 74 -0.998 -14.239 5.670 502 HA ALA 74 HA ALA 74 -2.450 -16.757 5.681 503 HB1 ALA 74 1HB ALA 74 -1.699 -15.382 8.114 504 HB2 ALA 74 2HB ALA 74 -3.450 -15.538 7.963 505 HB3 ALA 74 3HB ALA 74 -2.428 -16.973 7.895 506 HA PRO 75 HA PRO 75 -5.513 -14.204 3.814 507 HB2 PRO 75 1HB PRO 75 -7.684 -15.789 4.197 508 HB3 PRO 75 2HB PRO 75 -6.427 -16.152 3.007 509 HG2 PRO 75 1HG PRO 75 -6.809 -17.267 5.759 510 HG3 PRO 75 2HG PRO 75 -6.376 -18.110 4.260 511 HD2 PRO 75 1HD PRO 75 -4.542 -17.439 6.136 512 HD3 PRO 75 2HD PRO 75 -4.161 -17.490 4.403 513 H GLY 76 H GLY 76 -7.072 -12.709 4.355 514 HA2 GLY 76 1HA GLY 76 -8.901 -12.592 6.316 515 HA3 GLY 76 2HA GLY 76 -7.423 -12.228 7.196 516 H ASP 77 H ASP 77 -8.724 -10.215 7.591 517 HA ASP 77 HA ASP 77 -8.785 -8.353 5.353 518 HB2 ASP 77 1HB ASP 77 -9.493 -7.567 8.151 519 HB3 ASP 77 2HB ASP 77 -10.192 -7.025 6.628 520 H TYR 78 H TYR 78 -6.902 -7.433 4.855 521 HA TYR 78 HA TYR 78 -5.064 -6.682 7.016 522 HB2 TYR 78 1HB TYR 78 -4.687 -7.157 4.068 523 HB3 TYR 78 2HB TYR 78 -3.479 -6.298 5.016 524 HD1 TYR 78 1HD TYR 78 -5.489 -9.446 5.251 525 HD2 TYR 78 2HD TYR 78 -1.724 -7.549 5.825 526 HE1 TYR 78 1HE TYR 78 -4.520 -11.595 5.951 527 HE2 TYR 78 2HE TYR 78 -0.744 -9.693 6.526 528 HH TYR 78 HH TYR 78 -1.572 -12.377 5.931 529 H ASP 79 H ASP 79 -4.019 -4.603 6.950 530 HA ASP 79 HA ASP 79 -5.543 -2.542 5.502 531 HB2 ASP 79 1HB ASP 79 -4.963 -2.766 8.412 532 HB3 ASP 79 2HB ASP 79 -4.874 -1.160 7.693 533 H VAL 80 H VAL 80 -4.307 -1.276 4.290 534 HA VAL 80 HA VAL 80 -1.409 -1.350 4.666 535 HB VAL 80 HB VAL 80 -3.027 -0.218 2.379 536 HG11 VAL 80 1HG1 VAL 80 -1.075 0.297 1.288 537 HG12 VAL 80 2HG1 VAL 80 -0.617 0.645 2.956 538 HG13 VAL 80 3HG1 VAL 80 -0.126 -0.873 2.203 539 HG21 VAL 80 1HG2 VAL 80 -3.319 -2.562 2.355 540 HG22 VAL 80 2HG2 VAL 80 -2.056 -2.224 1.172 541 HG23 VAL 80 3HG2 VAL 80 -1.628 -2.853 2.763 542 H ASN 81 H ASN 81 -0.732 0.119 6.109 543 HA ASN 81 HA ASN 81 -1.993 2.727 6.282 544 HB2 ASN 81 1HB ASN 81 0.219 1.400 7.853 545 HB3 ASN 81 2HB ASN 81 -0.278 3.067 8.125 546 HD21 ASN 81 1HD2 ASN 81 -1.251 -0.278 8.304 547 HD22 ASN 81 2HD2 ASN 81 -2.572 -0.039 9.391 548 H ILE 82 H ILE 82 -1.420 4.259 4.894 549 HA ILE 82 HA ILE 82 1.418 4.456 4.119 550 HB ILE 82 HB ILE 82 -0.944 5.346 2.463 551 HG12 ILE 82 1HG1 ILE 82 0.843 2.949 2.013 552 HG13 ILE 82 2HG1 ILE 82 -0.753 2.854 2.747 553 HG21 ILE 82 1HG2 ILE 82 1.244 5.043 0.820 554 HG22 ILE 82 2HG2 ILE 82 0.620 6.568 1.444 555 HG23 ILE 82 3HG2 ILE 82 1.932 5.742 2.285 556 HD11 ILE 82 1HD1 ILE 82 -0.156 3.846 -0.029 557 HD12 ILE 82 2HD1 ILE 82 -0.811 2.263 0.390 558 HD13 ILE 82 3HD1 ILE 82 -1.753 3.719 0.707 559 H THR 83 H THR 83 2.413 6.231 4.785 560 HA THR 83 HA THR 83 0.842 8.688 5.168 561 HB THR 83 HB THR 83 2.265 9.203 7.169 562 HG1 THR 83 1HG THR 83 3.186 6.623 6.562 563 HG21 THR 83 1HG2 THR 83 0.138 7.198 6.986 564 HG22 THR 83 2HG2 THR 83 0.289 8.596 8.051 565 HG23 THR 83 3HG2 THR 83 1.103 7.086 8.457 566 H TYR 84 H TYR 84 1.865 10.592 4.650 567 HA TYR 84 HA TYR 84 4.467 10.300 3.309 568 HB2 TYR 84 1HB TYR 84 2.374 11.108 2.039 569 HB3 TYR 84 2HB TYR 84 2.579 12.613 2.927 570 HD1 TYR 84 1HD TYR 84 4.993 10.295 1.258 571 HD2 TYR 84 2HD TYR 84 3.421 14.240 1.526 572 HE1 TYR 84 1HE TYR 84 6.627 11.053 -0.417 573 HE2 TYR 84 2HE TYR 84 5.050 15.008 -0.149 574 HH TYR 84 HH TYR 84 7.094 14.415 -1.137 575 H GLY 85 H GLY 85 6.030 10.805 4.727 576 HA2 GLY 85 1HA GLY 85 7.391 12.224 5.942 577 HA3 GLY 85 2HA GLY 85 6.222 13.509 5.673 578 H GLY 86 H GLY 86 4.105 13.185 6.942 579 HA2 GLY 86 1HA GLY 86 4.349 11.754 9.437 580 HA3 GLY 86 2HA GLY 86 4.495 13.497 9.608 581 H ALA 87 H ALA 87 2.477 12.311 7.084 582 HA ALA 87 HA ALA 87 0.079 12.692 8.740 583 HB1 ALA 87 1HB ALA 87 0.312 14.785 7.653 584 HB2 ALA 87 2HB ALA 87 0.668 14.019 6.104 585 HB3 ALA 87 3HB ALA 87 -0.953 13.908 6.791 586 H HIS 88 H HIS 88 -1.855 11.721 7.865 587 HA HIS 88 HA HIS 88 -1.243 9.291 6.369 588 HB2 HIS 88 1HB HIS 88 -3.435 10.148 8.204 589 HB3 HIS 88 2HB HIS 88 -3.786 8.899 7.012 590 HD1 HIS 88 1HD HIS 88 -2.924 6.574 7.477 591 HD2 HIS 88 2HD HIS 88 -1.433 9.410 10.123 592 HE1 HIS 88 1HE HIS 88 -1.746 5.265 9.272 593 HE2 HIS 88 2HE HIS 88 -0.926 6.998 10.906 594 H ILE 89 H ILE 89 -1.973 8.863 4.363 595 HA ILE 89 HA ILE 89 -3.048 11.016 2.809 596 HB ILE 89 HB ILE 89 -2.910 9.526 0.916 597 HG12 ILE 89 1HG1 ILE 89 -2.055 7.284 2.732 598 HG13 ILE 89 2HG1 ILE 89 -3.751 7.528 2.326 599 HG21 ILE 89 1HG2 ILE 89 -0.444 8.555 1.730 600 HG22 ILE 89 2HG2 ILE 89 -0.765 10.116 0.977 601 HG23 ILE 89 3HG2 ILE 89 -0.705 9.980 2.734 602 HD11 ILE 89 1HD1 ILE 89 -3.441 6.952 0.123 603 HD12 ILE 89 2HD1 ILE 89 -1.721 7.342 0.152 604 HD13 ILE 89 3HD1 ILE 89 -2.307 5.880 0.945 605 HA PRO 90 HA PRO 90 -7.351 10.173 3.075 606 HB2 PRO 90 1HB PRO 90 -8.171 10.989 0.619 607 HB3 PRO 90 2HB PRO 90 -7.672 12.114 1.888 608 HG2 PRO 90 1HG PRO 90 -6.116 11.092 -0.457 609 HG3 PRO 90 2HG PRO 90 -6.208 12.739 0.193 610 HD2 PRO 90 1HD PRO 90 -4.130 11.083 0.710 611 HD3 PRO 90 2HD PRO 90 -4.699 12.294 1.877 612 H GLY 91 H GLY 91 -7.324 7.887 3.208 613 HA2 GLY 91 1HA GLY 91 -8.829 6.360 1.680 614 HA3 GLY 91 2HA GLY 91 -7.374 6.389 0.695 615 H SER 92 H SER 92 -6.060 6.615 3.577 616 HA SER 92 HA SER 92 -5.850 3.699 3.887 617 HB2 SER 92 1HB SER 92 -3.668 4.322 3.592 618 HB3 SER 92 2HB SER 92 -3.938 5.950 4.212 619 HG SER 92 HG SER 92 -3.539 5.281 6.191 620 HA PRO 93 HA PRO 93 -4.595 2.505 5.510 621 HB2 PRO 93 1HB PRO 93 -5.738 0.387 6.767 622 HB3 PRO 93 2HB PRO 93 -4.583 1.465 7.559 623 HG2 PRO 93 1HG PRO 93 -7.572 1.449 7.715 624 HG3 PRO 93 2HG PRO 93 -6.385 1.662 9.015 625 HD2 PRO 93 1HD PRO 93 -7.697 3.744 7.885 626 HD3 PRO 93 2HD PRO 93 -6.040 3.884 8.507 627 H PHE 94 H PHE 94 -4.809 1.220 3.746 628 HA PHE 94 HA PHE 94 -7.445 1.080 2.519 629 HB2 PHE 94 1HB PHE 94 -4.650 0.575 1.519 630 HB3 PHE 94 2HB PHE 94 -6.062 0.112 0.575 631 HD1 PHE 94 2HD PHE 94 -4.526 3.037 2.282 632 HD2 PHE 94 1HD PHE 94 -7.049 1.642 -0.849 633 HE1 PHE 94 2HE PHE 94 -4.669 5.322 1.384 634 HE2 PHE 94 1HE PHE 94 -7.195 3.926 -1.753 635 HZ PHE 94 HZ PHE 94 -6.005 5.770 -0.636 636 H ARG 95 H ARG 95 -8.695 -0.609 2.935 637 HA ARG 95 HA ARG 95 -7.797 -3.009 4.109 638 HB2 ARG 95 1HB ARG 95 -10.354 -2.002 2.990 639 HB3 ARG 95 2HB ARG 95 -10.182 -3.748 3.115 640 HG2 ARG 95 1HG ARG 95 -9.739 -1.858 5.413 641 HG3 ARG 95 2HG ARG 95 -11.277 -2.653 5.070 642 HD2 ARG 95 1HD ARG 95 -10.369 -4.796 5.467 643 HD3 ARG 95 2HD ARG 95 -8.716 -4.185 5.430 644 HE ARG 95 HE ARG 95 -8.913 -3.720 7.649 645 HH11 ARG 95 1HH1 ARG 95 -12.106 -3.876 6.270 646 HH12 ARG 95 2HH1 ARG 95 -12.914 -3.669 7.789 647 HH21 ARG 95 1HH2 ARG 95 -9.964 -3.447 9.654 648 HH22 ARG 95 2HH2 ARG 95 -11.694 -3.424 9.713 649 H VAL 96 H VAL 96 -7.815 -5.152 3.232 650 HA VAL 96 HA VAL 96 -7.864 -5.492 0.360 651 HB VAL 96 HB VAL 96 -5.308 -6.115 1.841 652 HG11 VAL 96 1HG1 VAL 96 -6.380 -6.818 -0.764 653 HG12 VAL 96 2HG1 VAL 96 -4.810 -6.019 -0.874 654 HG13 VAL 96 3HG1 VAL 96 -4.993 -7.476 0.103 655 HG21 VAL 96 1HG2 VAL 96 -4.340 -4.265 0.476 656 HG22 VAL 96 2HG2 VAL 96 -5.981 -3.814 0.012 657 HG23 VAL 96 3HG2 VAL 96 -5.488 -3.729 1.703 658 HA PRO 97 HA PRO 97 -9.466 -9.236 2.303 659 HB2 PRO 97 1HB PRO 97 -10.755 -10.100 0.076 660 HB3 PRO 97 2HB PRO 97 -11.419 -8.865 1.152 661 HG2 PRO 97 1HG PRO 97 -9.976 -8.533 -1.450 662 HG3 PRO 97 2HG PRO 97 -11.423 -7.696 -0.858 663 HD2 PRO 97 1HD PRO 97 -8.958 -6.579 -0.776 664 HD3 PRO 97 2HD PRO 97 -10.201 -6.240 0.445 665 H VAL 98 H VAL 98 -7.369 -10.185 2.482 666 HA VAL 98 HA VAL 98 -6.080 -11.360 0.204 667 HB VAL 98 HB VAL 98 -5.556 -11.847 3.139 668 HG11 VAL 98 1HG1 VAL 98 -3.201 -12.281 1.990 669 HG12 VAL 98 2HG1 VAL 98 -4.403 -13.560 2.181 670 HG13 VAL 98 3HG1 VAL 98 -4.235 -12.728 0.634 671 HG21 VAL 98 1HG2 VAL 98 -4.785 -9.671 1.290 672 HG22 VAL 98 2HG2 VAL 98 -5.030 -9.642 3.037 673 HG23 VAL 98 3HG2 VAL 98 -3.529 -10.282 2.367 674 H LYS 99 H LYS 99 -6.830 -13.113 -0.775 675 HA LYS 99 HA LYS 99 -8.391 -15.069 0.737 676 HB2 LYS 99 1HB LYS 99 -7.890 -15.003 -2.240 677 HB3 LYS 99 2HB LYS 99 -9.124 -15.920 -1.385 678 HG2 LYS 99 1HG LYS 99 -10.468 -14.094 -1.078 679 HG3 LYS 99 2HG LYS 99 -9.120 -12.956 -1.133 680 HD2 LYS 99 1HD LYS 99 -10.455 -12.708 -3.128 681 HD3 LYS 99 2HD LYS 99 -8.892 -13.407 -3.557 682 HE2 LYS 99 1HE LYS 99 -10.564 -14.602 -4.762 683 HE3 LYS 99 2HE LYS 99 -9.981 -15.661 -3.480 684 HZ1 LYS 99 1HZ LYS 99 -12.279 -15.873 -3.401 685 HZ2 LYS 99 2HZ LYS 99 -12.554 -14.223 -3.649 686 HZ3 LYS 99 3HZ LYS 99 -11.956 -14.767 -2.163 687 H ASP 100 H ASP 100 -8.026 -17.409 0.138 688 HA ASP 100 HA ASP 100 -5.152 -17.956 0.283 689 HB2 ASP 100 1HB ASP 100 -6.150 -20.335 0.847 690 HB3 ASP 100 2HB ASP 100 -6.094 -19.066 2.067 691 H VAL 101 H VAL 101 -4.114 -18.665 -1.449 692 HA VAL 101 HA VAL 101 -5.233 -19.095 -3.940 693 HB VAL 101 HB VAL 101 -2.685 -20.358 -2.921 694 HG11 VAL 101 1HG1 VAL 101 -2.545 -21.233 -4.958 695 HG12 VAL 101 2HG1 VAL 101 -4.016 -20.401 -5.468 696 HG13 VAL 101 3HG1 VAL 101 -2.452 -19.596 -5.606 697 HG21 VAL 101 1HG2 VAL 101 -2.601 -18.002 -2.480 698 HG22 VAL 101 2HG2 VAL 101 -1.592 -18.339 -3.887 699 HG23 VAL 101 3HG2 VAL 101 -3.193 -17.630 -4.099 700 H VAL 102 H VAL 102 -4.290 -21.523 -1.518 701 HA VAL 102 HA VAL 102 -6.391 -23.288 -2.325 702 HB VAL 102 HB VAL 102 -4.652 -25.190 -2.762 703 HG11 VAL 102 1HG1 VAL 102 -6.351 -23.857 -4.331 704 HG12 VAL 102 2HG1 VAL 102 -4.835 -23.387 -5.103 705 HG13 VAL 102 3HG1 VAL 102 -5.255 -25.094 -4.947 706 HG21 VAL 102 1HG2 VAL 102 -2.575 -24.618 -3.593 707 HG22 VAL 102 2HG2 VAL 102 -3.065 -22.968 -3.979 708 HG23 VAL 102 3HG2 VAL 102 -2.783 -23.435 -2.302 709 H ASP 103 H ASP 103 -5.951 -25.554 -1.216 710 HA ASP 103 HA ASP 103 -6.064 -25.246 1.497 711 HB2 ASP 103 1HB ASP 103 -5.538 -27.654 1.677 712 HB3 ASP 103 2HB ASP 103 -6.699 -27.323 0.393 713 HA PRO 104 HA PRO 104 -2.008 -24.329 2.926 714 HB2 PRO 104 1HB PRO 104 -2.204 -25.266 5.466 715 HB3 PRO 104 2HB PRO 104 -2.995 -23.781 4.927 716 HG2 PRO 104 1HG PRO 104 -4.144 -26.525 5.262 717 HG3 PRO 104 2HG PRO 104 -4.838 -24.958 5.718 718 HD2 PRO 104 1HD PRO 104 -5.572 -26.278 3.470 719 HD3 PRO 104 2HD PRO 104 -5.547 -24.506 3.571 720 H SER 105 H SER 105 -0.125 -25.390 4.058 721 HA SER 105 HA SER 105 0.470 -27.860 2.765 722 HB2 SER 105 1HB SER 105 2.069 -25.916 3.450 723 HB3 SER 105 2HB SER 105 2.126 -26.741 5.008 724 HG SER 105 HG SER 105 3.102 -28.444 4.093 Start of MODEL 9 1 H1 GLY 1 H GLY 1 13.489 7.997 15.009 2 HA2 GLY 1 1HA GLY 1 11.204 8.350 14.512 3 HA3 GLY 1 2HA GLY 1 10.909 8.672 16.214 4 H SER 2 H SER 2 11.360 10.035 13.170 5 HA SER 2 HA SER 2 12.189 12.637 14.183 6 HB2 SER 2 1HB SER 2 13.218 11.986 12.113 7 HB3 SER 2 2HB SER 2 11.654 11.612 11.389 8 HG SER 2 HG SER 2 12.211 13.614 10.658 9 H SER 3 H SER 3 10.885 14.364 14.426 10 HA SER 3 HA SER 3 8.118 14.184 13.459 11 HB2 SER 3 1HB SER 3 8.287 13.511 15.893 12 HB3 SER 3 2HB SER 3 8.819 15.157 16.235 13 HG SER 3 HG SER 3 6.752 15.527 16.377 14 H GLY 4 H GLY 4 7.108 16.165 13.031 15 HA2 GLY 4 1HA GLY 4 6.961 18.422 12.575 16 HA3 GLY 4 2HA GLY 4 8.371 18.670 13.595 17 H SER 5 H SER 5 7.554 17.230 10.437 18 HA SER 5 HA SER 5 10.161 17.654 9.374 19 HB2 SER 5 1HB SER 5 8.560 15.897 8.571 20 HB3 SER 5 2HB SER 5 7.597 17.180 7.838 21 HG SER 5 HG SER 5 9.853 17.703 6.881 22 H SER 6 H SER 6 10.995 19.346 8.307 23 HA SER 6 HA SER 6 9.791 21.877 8.447 24 HB2 SER 6 1HB SER 6 12.121 20.875 6.802 25 HB3 SER 6 2HB SER 6 11.653 22.572 6.890 26 HG SER 6 HG SER 6 13.250 22.142 8.420 27 H GLY 7 H GLY 7 8.701 23.126 6.984 28 HA2 GLY 7 1HA GLY 7 7.717 23.707 4.951 29 HA3 GLY 7 2HA GLY 7 8.325 22.212 4.257 30 H GLY 8 H GLY 8 5.674 23.358 3.991 31 HA2 GLY 8 1HA GLY 8 4.020 21.479 5.528 32 HA3 GLY 8 2HA GLY 8 3.433 22.889 4.659 33 H CYS 9 H CYS 9 4.638 19.603 4.304 34 HA CYS 9 HA CYS 9 4.282 19.400 1.512 35 HB2 CYS 9 1HB CYS 9 4.339 16.945 1.909 36 HB3 CYS 9 2HB CYS 9 5.663 17.801 2.692 37 HG CYS 9 HG CYS 9 3.202 15.986 4.041 38 H GLN 10 H GLN 10 2.703 17.691 0.594 39 HA GLN 10 HA GLN 10 0.036 18.115 1.770 40 HB2 GLN 10 1HB GLN 10 0.963 18.436 -1.060 41 HB3 GLN 10 2HB GLN 10 -0.699 17.960 -0.739 42 HG2 GLN 10 1HG GLN 10 -0.674 20.020 0.862 43 HG3 GLN 10 2HG GLN 10 0.688 20.525 -0.137 44 HE21 GLN 10 1HE2 GLN 10 -0.326 22.248 -1.072 45 HE22 GLN 10 2HE2 GLN 10 -1.644 22.091 -2.178 46 HA PRO 11 HA PRO 11 0.574 13.598 1.537 47 HB2 PRO 11 1HB PRO 11 -1.171 13.083 3.552 48 HB3 PRO 11 2HB PRO 11 0.516 13.529 3.833 49 HG2 PRO 11 1HG PRO 11 -1.941 15.236 3.952 50 HG3 PRO 11 2HG PRO 11 -0.553 15.194 5.056 51 HD2 PRO 11 1HD PRO 11 -0.838 17.092 3.146 52 HD3 PRO 11 2HD PRO 11 0.750 16.495 3.669 53 H SER 12 H SER 12 -1.957 15.720 0.880 54 HA SER 12 HA SER 12 -3.953 13.684 0.350 55 HB2 SER 12 1HB SER 12 -4.970 15.640 1.101 56 HB3 SER 12 2HB SER 12 -3.882 16.679 0.181 57 HG SER 12 HG SER 12 -5.329 16.673 -1.327 58 H ARG 13 H ARG 13 -1.600 15.577 -1.392 59 HA ARG 13 HA ARG 13 -2.618 15.182 -3.999 60 HB2 ARG 13 1HB ARG 13 0.240 15.646 -3.124 61 HB3 ARG 13 2HB ARG 13 -0.376 15.833 -4.760 62 HG2 ARG 13 1HG ARG 13 -1.627 17.391 -2.550 63 HG3 ARG 13 2HG ARG 13 -0.071 17.905 -3.205 64 HD2 ARG 13 1HD ARG 13 -1.029 18.010 -5.440 65 HD3 ARG 13 2HD ARG 13 -2.577 17.440 -4.817 66 HE ARG 13 HE ARG 13 -1.705 19.806 -3.490 67 HH11 ARG 13 1HH1 ARG 13 -3.204 18.621 -6.400 68 HH12 ARG 13 2HH1 ARG 13 -4.056 20.096 -6.717 69 HH21 ARG 13 1HH2 ARG 13 -2.821 21.753 -3.896 70 HH22 ARG 13 2HH2 ARG 13 -3.837 21.877 -5.292 71 H VAL 14 H VAL 14 -1.393 12.983 -1.818 72 HA VAL 14 HA VAL 14 -0.018 11.263 -3.676 73 HB VAL 14 HB VAL 14 -1.023 10.515 -0.933 74 HG11 VAL 14 1HG1 VAL 14 1.399 9.288 -1.393 75 HG12 VAL 14 2HG1 VAL 14 -0.191 8.540 -1.562 76 HG13 VAL 14 3HG1 VAL 14 0.612 9.234 -2.971 77 HG21 VAL 14 1HG2 VAL 14 1.674 11.689 -1.583 78 HG22 VAL 14 2HG2 VAL 14 0.332 12.627 -0.926 79 HG23 VAL 14 3HG2 VAL 14 1.022 11.300 0.009 80 H GLN 15 H GLN 15 -0.735 9.314 -4.514 81 HA GLN 15 HA GLN 15 -3.552 8.615 -4.104 82 HB2 GLN 15 1HB GLN 15 -2.264 8.841 -6.829 83 HB3 GLN 15 2HB GLN 15 -3.919 8.352 -6.496 84 HG2 GLN 15 1HG GLN 15 -4.331 10.596 -5.525 85 HG3 GLN 15 2HG GLN 15 -2.708 11.065 -6.030 86 HE21 GLN 15 1HE2 GLN 15 -2.307 10.432 -8.439 87 HE22 GLN 15 2HE2 GLN 15 -3.542 10.945 -9.531 88 H ALA 16 H ALA 16 -3.926 6.477 -3.977 89 HA ALA 16 HA ALA 16 -1.721 4.661 -4.711 90 HB1 ALA 16 1HB ALA 16 -2.206 3.293 -2.810 91 HB2 ALA 16 2HB ALA 16 -2.014 4.956 -2.252 92 HB3 ALA 16 3HB ALA 16 -3.627 4.260 -2.411 93 H GLN 17 H GLN 17 -2.239 3.247 -6.236 94 HA GLN 17 HA GLN 17 -4.920 2.105 -6.317 95 HB2 GLN 17 1HB GLN 17 -5.155 2.527 -8.725 96 HB3 GLN 17 2HB GLN 17 -5.073 4.027 -7.810 97 HG2 GLN 17 1HG GLN 17 -2.896 4.485 -8.542 98 HG3 GLN 17 2HG GLN 17 -2.650 2.835 -9.111 99 HE21 GLN 17 1HE2 GLN 17 -3.154 2.337 -11.156 100 HE22 GLN 17 2HE2 GLN 17 -3.888 3.420 -12.284 101 H GLY 18 H GLY 18 -5.039 0.087 -7.337 102 HA2 GLY 18 1HA GLY 18 -3.575 -1.334 -8.966 103 HA3 GLY 18 2HA GLY 18 -2.427 -1.217 -7.640 104 HA PRO 19 HA PRO 19 -5.151 -4.984 -7.094 105 HB2 PRO 19 1HB PRO 19 -3.115 -6.774 -6.950 106 HB3 PRO 19 2HB PRO 19 -3.869 -6.297 -8.476 107 HG2 PRO 19 1HG PRO 19 -1.317 -5.334 -7.243 108 HG3 PRO 19 2HG PRO 19 -1.654 -5.755 -8.932 109 HD2 PRO 19 1HD PRO 19 -1.590 -3.195 -8.053 110 HD3 PRO 19 2HD PRO 19 -2.657 -3.726 -9.368 111 H GLY 20 H GLY 20 -1.975 -4.301 -5.618 112 HA2 GLY 20 1HA GLY 20 -2.328 -5.668 -3.224 113 HA3 GLY 20 2HA GLY 20 -1.313 -4.246 -3.421 114 H LEU 21 H LEU 21 -4.047 -2.972 -4.332 115 HA LEU 21 HA LEU 21 -4.861 -2.265 -1.593 116 HB2 LEU 21 1HB LEU 21 -5.316 -0.637 -4.081 117 HB3 LEU 21 2HB LEU 21 -5.518 -0.126 -2.407 118 HG LEU 21 HG LEU 21 -2.847 -0.856 -3.593 119 HD11 LEU 21 1HD1 LEU 21 -4.010 1.075 -4.752 120 HD12 LEU 21 2HD1 LEU 21 -2.428 1.413 -4.052 121 HD13 LEU 21 3HD1 LEU 21 -3.891 1.936 -3.218 122 HD21 LEU 21 1HD2 LEU 21 -3.582 0.760 -1.155 123 HD22 LEU 21 2HD2 LEU 21 -1.958 0.317 -1.682 124 HD23 LEU 21 3HD2 LEU 21 -3.078 -0.930 -1.132 125 H LYS 22 H LYS 22 -5.916 -3.505 -4.638 126 HA LYS 22 HA LYS 22 -8.736 -3.250 -3.938 127 HB2 LYS 22 1HB LYS 22 -7.857 -2.844 -6.279 128 HB3 LYS 22 2HB LYS 22 -7.556 -4.574 -6.381 129 HG2 LYS 22 1HG LYS 22 -9.958 -4.979 -5.973 130 HG3 LYS 22 2HG LYS 22 -10.224 -3.234 -5.990 131 HD2 LYS 22 1HD LYS 22 -8.814 -4.480 -8.298 132 HD3 LYS 22 2HD LYS 22 -10.561 -4.699 -8.161 133 HE2 LYS 22 1HE LYS 22 -10.334 -2.774 -9.460 134 HE3 LYS 22 2HE LYS 22 -10.656 -2.157 -7.841 135 HZ1 LYS 22 1HZ LYS 22 -7.872 -2.527 -8.700 136 HZ2 LYS 22 2HZ LYS 22 -8.517 -1.419 -7.597 137 HZ3 LYS 22 3HZ LYS 22 -8.728 -1.178 -9.258 138 H GLU 23 H GLU 23 -6.698 -5.930 -5.129 139 HA GLU 23 HA GLU 23 -7.972 -7.683 -3.149 140 HB2 GLU 23 1HB GLU 23 -9.205 -8.263 -5.052 141 HB3 GLU 23 2HB GLU 23 -7.819 -8.088 -6.119 142 HG2 GLU 23 1HG GLU 23 -8.182 -10.385 -5.987 143 HG3 GLU 23 2HG GLU 23 -6.827 -10.086 -4.900 144 H ALA 24 H ALA 24 -6.667 -9.238 -2.277 145 HA ALA 24 HA ALA 24 -3.953 -9.522 -3.361 146 HB1 ALA 24 1HB ALA 24 -2.991 -9.363 -1.124 147 HB2 ALA 24 2HB ALA 24 -3.837 -7.877 -1.559 148 HB3 ALA 24 3HB ALA 24 -4.587 -9.029 -0.454 149 H PHE 25 H PHE 25 -2.779 -11.370 -2.200 150 HA PHE 25 HA PHE 25 -4.614 -13.493 -1.366 151 HB2 PHE 25 1HB PHE 25 -2.808 -13.532 -3.751 152 HB3 PHE 25 2HB PHE 25 -3.081 -15.026 -2.860 153 HD1 PHE 25 2HD PHE 25 -4.676 -12.396 -4.872 154 HD2 PHE 25 1HD PHE 25 -5.159 -16.180 -2.984 155 HE1 PHE 25 2HE PHE 25 -6.783 -12.735 -6.097 156 HE2 PHE 25 1HE PHE 25 -7.266 -16.525 -4.207 157 HZ PHE 25 HZ PHE 25 -8.081 -14.801 -5.765 158 H THR 26 H THR 26 -3.386 -15.421 -0.524 159 HA THR 26 HA THR 26 -1.411 -14.495 1.351 160 HB THR 26 HB THR 26 -1.437 -16.804 2.215 161 HG1 THR 26 1HG THR 26 -2.835 -17.229 -0.177 162 HG21 THR 26 1HG2 THR 26 -3.079 -15.577 3.270 163 HG22 THR 26 2HG2 THR 26 -4.039 -16.877 2.564 164 HG23 THR 26 3HG2 THR 26 -3.978 -15.300 1.779 165 H ASN 27 H ASN 27 0.742 -14.731 1.269 166 HA ASN 27 HA ASN 27 2.819 -15.150 0.442 167 HB2 ASN 27 1HB ASN 27 1.485 -17.735 -0.394 168 HB3 ASN 27 2HB ASN 27 3.224 -17.453 -0.417 169 HD21 ASN 27 1HD2 ASN 27 0.573 -16.861 1.873 170 HD22 ASN 27 2HD2 ASN 27 1.362 -17.583 3.231 171 H LYS 28 H LYS 28 0.987 -13.691 -1.223 172 HA LYS 28 HA LYS 28 2.084 -14.368 -3.873 173 HB2 LYS 28 1HB LYS 28 -0.670 -13.470 -3.089 174 HB3 LYS 28 2HB LYS 28 -0.048 -13.116 -4.696 175 HG2 LYS 28 1HG LYS 28 0.492 -15.699 -4.673 176 HG3 LYS 28 2HG LYS 28 -0.812 -15.714 -3.483 177 HD2 LYS 28 1HD LYS 28 -2.396 -15.049 -5.009 178 HD3 LYS 28 2HD LYS 28 -1.216 -14.233 -6.038 179 HE2 LYS 28 1HE LYS 28 -0.299 -16.576 -6.518 180 HE3 LYS 28 2HE LYS 28 -1.804 -17.170 -5.816 181 HZ1 LYS 28 1HZ LYS 28 -2.037 -17.009 -8.181 182 HZ2 LYS 28 2HZ LYS 28 -1.535 -15.394 -8.180 183 HZ3 LYS 28 3HZ LYS 28 -3.009 -15.822 -7.468 184 HA PRO 29 HA PRO 29 3.863 -10.342 -3.867 185 HB2 PRO 29 1HB PRO 29 4.136 -9.983 -6.544 186 HB3 PRO 29 2HB PRO 29 5.165 -11.077 -5.612 187 HG2 PRO 29 1HG PRO 29 2.776 -11.705 -7.303 188 HG3 PRO 29 2HG PRO 29 4.325 -12.561 -7.193 189 HD2 PRO 29 1HD PRO 29 2.094 -13.417 -5.920 190 HD3 PRO 29 2HD PRO 29 3.724 -13.661 -5.259 191 H ASN 30 H ASN 30 2.466 -8.794 -3.192 192 HA ASN 30 HA ASN 30 0.471 -7.824 -5.131 193 HB2 ASN 30 1HB ASN 30 0.261 -7.209 -2.210 194 HB3 ASN 30 2HB ASN 30 -1.015 -7.354 -3.415 195 HD21 ASN 30 1HD2 ASN 30 0.893 -8.967 -1.077 196 HD22 ASN 30 2HD2 ASN 30 0.159 -10.525 -1.225 197 H VAL 31 H VAL 31 0.965 -5.941 -6.020 198 HA VAL 31 HA VAL 31 2.486 -3.982 -4.426 199 HB VAL 31 HB VAL 31 3.640 -3.231 -6.400 200 HG11 VAL 31 1HG1 VAL 31 4.993 -5.202 -6.907 201 HG12 VAL 31 2HG1 VAL 31 4.633 -5.103 -5.183 202 HG13 VAL 31 3HG1 VAL 31 3.753 -6.240 -6.205 203 HG21 VAL 31 1HG2 VAL 31 3.264 -3.990 -8.571 204 HG22 VAL 31 2HG2 VAL 31 2.396 -5.424 -8.024 205 HG23 VAL 31 3HG2 VAL 31 1.639 -3.836 -7.904 206 H PHE 32 H PHE 32 2.302 -1.723 -5.492 207 HA PHE 32 HA PHE 32 -0.151 -1.167 -6.877 208 HB2 PHE 32 1HB PHE 32 -0.929 0.397 -4.980 209 HB3 PHE 32 2HB PHE 32 -1.231 -1.328 -4.800 210 HD1 PHE 32 1HD PHE 32 0.959 1.449 -3.744 211 HD2 PHE 32 2HD PHE 32 -0.291 -2.555 -3.020 212 HE1 PHE 32 1HE PHE 32 2.138 1.474 -1.585 213 HE2 PHE 32 2HE PHE 32 0.885 -2.535 -0.860 214 HZ PHE 32 HZ PHE 32 2.102 -0.519 -0.139 215 H THR 33 H THR 33 -0.279 0.974 -7.631 216 HA THR 33 HA THR 33 2.294 2.311 -7.758 217 HB THR 33 HB THR 33 -0.297 3.039 -9.138 218 HG1 THR 33 1HG THR 33 1.769 1.242 -9.754 219 HG21 THR 33 1HG2 THR 33 2.171 3.800 -10.450 220 HG22 THR 33 2HG2 THR 33 2.044 4.516 -8.844 221 HG23 THR 33 3HG2 THR 33 0.770 4.785 -10.033 222 H VAL 34 H VAL 34 2.840 4.079 -6.652 223 HA VAL 34 HA VAL 34 0.709 5.539 -5.228 224 HB VAL 34 HB VAL 34 3.576 5.343 -4.317 225 HG11 VAL 34 1HG1 VAL 34 2.661 7.176 -3.258 226 HG12 VAL 34 2HG1 VAL 34 1.047 6.466 -3.191 227 HG13 VAL 34 3HG1 VAL 34 2.311 5.889 -2.104 228 HG21 VAL 34 1HG2 VAL 34 1.216 3.639 -3.535 229 HG22 VAL 34 2HG2 VAL 34 2.720 3.103 -4.284 230 HG23 VAL 34 3HG2 VAL 34 2.728 3.714 -2.630 231 H VAL 35 H VAL 35 0.359 7.347 -6.367 232 HA VAL 35 HA VAL 35 2.509 8.721 -7.727 233 HB VAL 35 HB VAL 35 -0.398 9.486 -7.421 234 HG11 VAL 35 1HG1 VAL 35 1.746 11.074 -8.202 235 HG12 VAL 35 2HG1 VAL 35 0.984 10.574 -9.713 236 HG13 VAL 35 3HG1 VAL 35 0.034 11.397 -8.475 237 HG21 VAL 35 1HG2 VAL 35 -0.459 8.764 -9.851 238 HG22 VAL 35 2HG2 VAL 35 1.103 7.998 -9.562 239 HG23 VAL 35 3HG2 VAL 35 -0.317 7.475 -8.656 240 H THR 36 H THR 36 3.887 9.728 -6.370 241 HA THR 36 HA THR 36 2.730 11.623 -4.429 242 HB THR 36 HB THR 36 5.087 11.355 -3.321 243 HG1 THR 36 1HG THR 36 6.250 9.801 -4.143 244 HG21 THR 36 1HG2 THR 36 2.653 9.676 -3.110 245 HG22 THR 36 2HG2 THR 36 3.430 10.703 -1.905 246 HG23 THR 36 3HG2 THR 36 4.091 9.108 -2.263 247 H ARG 37 H ARG 37 3.107 12.392 -7.059 248 HA ARG 37 HA ARG 37 5.589 13.528 -7.667 249 HB2 ARG 37 1HB ARG 37 2.778 14.053 -8.550 250 HB3 ARG 37 2HB ARG 37 4.052 15.166 -9.032 251 HG2 ARG 37 1HG ARG 37 4.417 12.241 -9.475 252 HG3 ARG 37 2HG ARG 37 3.391 13.172 -10.568 253 HD2 ARG 37 1HD ARG 37 5.387 14.793 -10.711 254 HD3 ARG 37 2HD ARG 37 6.325 13.467 -10.025 255 HE ARG 37 HE ARG 37 4.962 12.396 -12.164 256 HH11 ARG 37 1HH1 ARG 37 7.280 14.943 -11.659 257 HH12 ARG 37 2HH1 ARG 37 7.990 14.787 -13.232 258 HH21 ARG 37 1HH2 ARG 37 5.888 12.181 -14.238 259 HH22 ARG 37 2HH2 ARG 37 7.196 13.216 -14.698 260 H GLY 38 H GLY 38 2.722 15.474 -6.844 261 HA2 GLY 38 1HA GLY 38 4.520 17.410 -5.555 262 HA3 GLY 38 2HA GLY 38 2.900 17.751 -6.146 263 H ALA 39 H ALA 39 4.158 15.224 -3.978 264 HA ALA 39 HA ALA 39 1.978 15.761 -2.129 265 HB1 ALA 39 1HB ALA 39 4.075 13.605 -2.240 266 HB2 ALA 39 2HB ALA 39 2.908 13.757 -0.925 267 HB3 ALA 39 3HB ALA 39 2.348 13.460 -2.571 268 H GLY 40 H GLY 40 4.894 17.118 -2.607 269 HA2 GLY 40 1HA GLY 40 5.846 18.742 -1.191 270 HA3 GLY 40 2HA GLY 40 5.058 17.977 0.181 271 H ILE 41 H ILE 41 7.869 18.816 -0.236 272 HA ILE 41 HA ILE 41 9.475 16.493 -0.553 273 HB ILE 41 HB ILE 41 10.102 19.157 0.721 274 HG12 ILE 41 1HG1 ILE 41 9.769 19.558 -1.558 275 HG13 ILE 41 2HG1 ILE 41 11.506 19.291 -1.456 276 HG21 ILE 41 1HG2 ILE 41 11.590 17.521 1.653 277 HG22 ILE 41 2HG2 ILE 41 11.921 16.849 0.057 278 HG23 ILE 41 3HG2 ILE 41 12.477 18.473 0.462 279 HD11 ILE 41 1HD1 ILE 41 9.386 17.512 -2.571 280 HD12 ILE 41 2HD1 ILE 41 10.895 18.056 -3.304 281 HD13 ILE 41 3HD1 ILE 41 10.924 16.843 -2.024 282 H GLY 42 H GLY 42 8.895 14.844 0.803 283 HA2 GLY 42 1HA GLY 42 9.713 15.140 3.574 284 HA3 GLY 42 2HA GLY 42 8.013 14.766 3.333 285 H GLY 43 H GLY 43 8.232 12.771 4.402 286 HA2 GLY 43 1HA GLY 43 9.745 10.748 2.867 287 HA3 GLY 43 2HA GLY 43 9.545 10.683 4.612 288 H LEU 44 H LEU 44 8.884 8.508 3.109 289 HA LEU 44 HA LEU 44 5.944 8.507 3.285 290 HB2 LEU 44 1HB LEU 44 6.561 8.440 0.957 291 HB3 LEU 44 2HB LEU 44 7.688 7.119 1.257 292 HG LEU 44 HG LEU 44 5.789 5.649 1.799 293 HD11 LEU 44 1HD1 LEU 44 4.238 7.369 2.588 294 HD12 LEU 44 2HD1 LEU 44 3.515 6.368 1.330 295 HD13 LEU 44 3HD1 LEU 44 4.091 7.989 0.943 296 HD21 LEU 44 1HD2 LEU 44 6.028 6.998 -0.849 297 HD22 LEU 44 2HD2 LEU 44 4.738 5.822 -0.596 298 HD23 LEU 44 3HD2 LEU 44 6.423 5.342 -0.386 299 H GLY 45 H GLY 45 5.095 6.992 4.572 300 HA2 GLY 45 1HA GLY 45 6.842 4.751 5.388 301 HA3 GLY 45 2HA GLY 45 5.809 5.606 6.525 302 H ILE 46 H ILE 46 5.946 3.251 3.977 303 HA ILE 46 HA ILE 46 3.068 2.747 4.197 304 HB ILE 46 HB ILE 46 5.073 1.541 2.286 305 HG12 ILE 46 1HG1 ILE 46 2.929 3.550 1.621 306 HG13 ILE 46 2HG1 ILE 46 4.546 4.051 2.104 307 HG21 ILE 46 1HG2 ILE 46 3.038 0.820 1.053 308 HG22 ILE 46 2HG2 ILE 46 3.229 0.046 2.625 309 HG23 ILE 46 3HG2 ILE 46 2.069 1.358 2.424 310 HD11 ILE 46 1HD1 ILE 46 3.732 3.560 -0.450 311 HD12 ILE 46 2HD1 ILE 46 5.406 3.572 0.106 312 HD13 ILE 46 3HD1 ILE 46 4.527 2.048 -0.014 313 H THR 47 H THR 47 2.323 1.170 5.442 314 HA THR 47 HA THR 47 4.007 -1.174 5.961 315 HB THR 47 HB THR 47 3.065 -1.092 8.372 316 HG1 THR 47 1HG THR 47 3.107 1.698 8.006 317 HG21 THR 47 1HG2 THR 47 5.398 -0.898 8.070 318 HG22 THR 47 2HG2 THR 47 4.940 0.494 9.052 319 HG23 THR 47 3HG2 THR 47 5.250 0.694 7.328 320 H VAL 48 H VAL 48 2.823 -3.046 6.694 321 HA VAL 48 HA VAL 48 -0.035 -2.945 5.976 322 HB VAL 48 HB VAL 48 2.011 -5.085 5.429 323 HG11 VAL 48 1HG1 VAL 48 0.465 -6.639 5.807 324 HG12 VAL 48 2HG1 VAL 48 -0.784 -5.422 6.076 325 HG13 VAL 48 3HG1 VAL 48 -0.431 -5.978 4.440 326 HG21 VAL 48 1HG2 VAL 48 1.786 -3.327 3.755 327 HG22 VAL 48 2HG2 VAL 48 1.188 -4.865 3.132 328 HG23 VAL 48 3HG2 VAL 48 0.051 -3.625 3.660 329 H GLU 49 H GLU 49 -1.475 -3.798 7.372 330 HA GLU 49 HA GLU 49 -0.408 -5.195 9.738 331 HB2 GLU 49 1HB GLU 49 -2.338 -2.943 9.507 332 HB3 GLU 49 2HB GLU 49 -2.649 -4.150 10.747 333 HG2 GLU 49 1HG GLU 49 0.083 -3.006 10.558 334 HG3 GLU 49 2HG GLU 49 -1.203 -2.002 11.226 335 H GLY 50 H GLY 50 -1.498 -6.980 10.472 336 HA2 GLY 50 1HA GLY 50 -4.119 -7.709 9.756 337 HA3 GLY 50 2HA GLY 50 -3.002 -8.473 8.635 338 HA PRO 51 HA PRO 51 -3.546 -11.211 12.363 339 HB2 PRO 51 1HB PRO 51 -4.105 -13.457 10.945 340 HB3 PRO 51 2HB PRO 51 -5.346 -12.299 11.438 341 HG2 PRO 51 1HG PRO 51 -3.975 -12.594 8.793 342 HG3 PRO 51 2HG PRO 51 -5.690 -12.307 9.138 343 HD2 PRO 51 1HD PRO 51 -4.003 -10.326 8.387 344 HD3 PRO 51 2HD PRO 51 -5.372 -10.050 9.484 345 H SER 52 H SER 52 -1.435 -10.789 9.839 346 HA SER 52 HA SER 52 0.579 -12.422 11.101 347 HB2 SER 52 1HB SER 52 1.098 -13.825 9.238 348 HB3 SER 52 2HB SER 52 -0.639 -13.971 9.505 349 HG SER 52 HG SER 52 0.680 -12.419 7.532 350 H GLU 53 H GLU 53 2.710 -11.923 10.401 351 HA GLU 53 HA GLU 53 3.001 -9.213 9.521 352 HB2 GLU 53 1HB GLU 53 4.829 -11.366 10.471 353 HB3 GLU 53 2HB GLU 53 5.529 -10.045 9.546 354 HG2 GLU 53 1HG GLU 53 5.054 -8.478 11.158 355 HG3 GLU 53 2HG GLU 53 3.740 -9.430 11.846 356 H SER 54 H SER 54 3.130 -8.532 7.497 357 HA SER 54 HA SER 54 3.662 -10.474 5.373 358 HB2 SER 54 1HB SER 54 2.627 -7.636 5.163 359 HB3 SER 54 2HB SER 54 2.713 -8.814 3.853 360 HG SER 54 HG SER 54 1.034 -8.801 6.119 361 H LYS 55 H LYS 55 5.322 -10.280 3.930 362 HA LYS 55 HA LYS 55 7.583 -8.714 4.772 363 HB2 LYS 55 1HB LYS 55 7.069 -10.819 2.732 364 HB3 LYS 55 2HB LYS 55 8.443 -9.754 2.468 365 HG2 LYS 55 1HG LYS 55 9.193 -10.350 4.804 366 HG3 LYS 55 2HG LYS 55 7.955 -11.608 4.781 367 HD2 LYS 55 1HD LYS 55 9.892 -11.436 2.518 368 HD3 LYS 55 2HD LYS 55 10.423 -12.134 4.051 369 HE2 LYS 55 1HE LYS 55 8.916 -13.895 3.914 370 HE3 LYS 55 2HE LYS 55 7.872 -13.042 2.777 371 HZ1 LYS 55 1HZ LYS 55 9.283 -14.910 1.858 372 HZ2 LYS 55 2HZ LYS 55 10.615 -13.886 2.056 373 HZ3 LYS 55 3HZ LYS 55 9.350 -13.439 1.025 374 H ILE 56 H ILE 56 7.312 -6.567 4.425 375 HA ILE 56 HA ILE 56 6.321 -5.626 1.851 376 HB ILE 56 HB ILE 56 6.966 -4.237 4.438 377 HG12 ILE 56 1HG1 ILE 56 4.428 -4.159 2.813 378 HG13 ILE 56 2HG1 ILE 56 4.750 -5.440 3.976 379 HG21 ILE 56 1HG2 ILE 56 7.819 -2.825 2.647 380 HG22 ILE 56 2HG2 ILE 56 6.270 -2.932 1.811 381 HG23 ILE 56 3HG2 ILE 56 6.376 -2.114 3.370 382 HD11 ILE 56 1HD1 ILE 56 4.019 -4.158 5.617 383 HD12 ILE 56 2HD1 ILE 56 5.217 -2.923 5.223 384 HD13 ILE 56 3HD1 ILE 56 3.637 -2.901 4.440 385 H ASN 57 H ASN 57 7.495 -4.354 0.426 386 HA ASN 57 HA ASN 57 10.284 -3.775 0.978 387 HB2 ASN 57 1HB ASN 57 9.416 -5.691 -1.189 388 HB3 ASN 57 2HB ASN 57 10.986 -4.892 -1.188 389 HD21 ASN 57 1HD2 ASN 57 9.347 -7.612 -0.296 390 HD22 ASN 57 2HD2 ASN 57 10.445 -8.227 0.887 391 H CYS 58 H CYS 58 10.408 -1.699 0.449 392 HA CYS 58 HA CYS 58 8.748 -0.608 -1.670 393 HB2 CYS 58 1HB CYS 58 9.342 0.456 0.668 394 HB3 CYS 58 2HB CYS 58 10.774 1.017 -0.186 395 HG CYS 58 HG CYS 58 8.877 3.084 -0.079 396 H ARG 59 H ARG 59 9.638 0.729 -3.372 397 HA ARG 59 HA ARG 59 12.412 0.067 -4.086 398 HB2 ARG 59 1HB ARG 59 10.452 -1.226 -5.299 399 HB3 ARG 59 2HB ARG 59 10.348 0.259 -6.236 400 HG2 ARG 59 1HG ARG 59 12.740 0.019 -6.809 401 HG3 ARG 59 2HG ARG 59 12.756 -1.525 -5.954 402 HD2 ARG 59 1HD ARG 59 10.888 -2.254 -7.483 403 HD3 ARG 59 2HD ARG 59 11.190 -0.790 -8.418 404 HE ARG 59 HE ARG 59 13.013 -1.811 -9.331 405 HH11 ARG 59 1HH1 ARG 59 12.152 -3.478 -6.398 406 HH12 ARG 59 2HH1 ARG 59 13.314 -4.743 -6.623 407 HH21 ARG 59 1HH2 ARG 59 14.546 -3.472 -9.638 408 HH22 ARG 59 2HH2 ARG 59 14.675 -4.739 -8.465 409 H ASP 60 H ASP 60 13.458 1.581 -5.469 410 HA ASP 60 HA ASP 60 12.317 4.277 -5.251 411 HB2 ASP 60 1HB ASP 60 15.174 3.576 -5.929 412 HB3 ASP 60 2HB ASP 60 14.541 5.127 -5.383 413 H ASN 61 H ASN 61 11.332 5.014 -7.004 414 HA ASN 61 HA ASN 61 12.203 4.061 -9.640 415 HB2 ASN 61 1HB ASN 61 9.691 5.631 -9.090 416 HB3 ASN 61 2HB ASN 61 10.048 4.580 -10.457 417 HD21 ASN 61 1HD2 ASN 61 8.216 4.796 -7.826 418 HD22 ASN 61 2HD2 ASN 61 8.043 3.127 -7.414 419 H LYS 62 H LYS 62 13.328 5.355 -10.927 420 HA LYS 62 HA LYS 62 13.694 8.143 -10.186 421 HB2 LYS 62 1HB LYS 62 15.051 6.300 -12.137 422 HB3 LYS 62 2HB LYS 62 15.340 8.034 -12.170 423 HG2 LYS 62 1HG LYS 62 15.694 6.433 -9.661 424 HG3 LYS 62 2HG LYS 62 16.976 6.571 -10.867 425 HD2 LYS 62 1HD LYS 62 15.635 9.039 -9.846 426 HD3 LYS 62 2HD LYS 62 16.869 8.246 -8.864 427 HE2 LYS 62 1HE LYS 62 18.446 8.408 -10.734 428 HE3 LYS 62 2HE LYS 62 17.211 9.211 -11.702 429 HZ1 LYS 62 1HZ LYS 62 17.734 10.422 -9.126 430 HZ2 LYS 62 2HZ LYS 62 17.519 11.146 -10.639 431 HZ3 LYS 62 3HZ LYS 62 19.023 10.496 -10.218 432 H ASP 63 H ASP 63 11.115 7.584 -11.087 433 HA ASP 63 HA ASP 63 11.085 8.980 -13.684 434 HB2 ASP 63 1HB ASP 63 9.057 6.985 -12.650 435 HB3 ASP 63 2HB ASP 63 8.972 7.836 -14.190 436 H GLY 64 H GLY 64 9.079 8.353 -10.798 437 HA2 GLY 64 1HA GLY 64 8.714 10.795 -9.782 438 HA3 GLY 64 2HA GLY 64 7.677 10.870 -11.199 439 H SER 65 H SER 65 8.277 8.135 -9.027 440 HA SER 65 HA SER 65 5.759 8.408 -7.686 441 HB2 SER 65 1HB SER 65 4.866 6.200 -8.553 442 HB3 SER 65 2HB SER 65 4.827 7.533 -9.707 443 HG SER 65 HG SER 65 6.471 5.263 -9.653 444 H CYS 66 H CYS 66 5.291 6.153 -6.529 445 HA CYS 66 HA CYS 66 7.861 5.070 -5.589 446 HB2 CYS 66 1HB CYS 66 6.648 6.783 -4.045 447 HB3 CYS 66 2HB CYS 66 5.548 5.451 -3.714 448 HG CYS 66 HG CYS 66 8.465 6.083 -2.381 449 H SER 67 H SER 67 7.945 2.903 -5.256 450 HA SER 67 HA SER 67 5.469 1.392 -5.780 451 HB2 SER 67 1HB SER 67 7.433 1.309 -7.479 452 HB3 SER 67 2HB SER 67 8.219 0.282 -6.280 453 HG SER 67 HG SER 67 6.163 -0.962 -6.374 454 H ALA 68 H ALA 68 4.922 -0.267 -4.443 455 HA ALA 68 HA ALA 68 6.792 -1.076 -2.345 456 HB1 ALA 68 1HB ALA 68 4.346 0.496 -1.933 457 HB2 ALA 68 2HB ALA 68 4.519 -0.907 -0.878 458 HB3 ALA 68 3HB ALA 68 5.777 0.329 -0.915 459 H GLU 69 H GLU 69 6.827 -3.217 -2.214 460 HA GLU 69 HA GLU 69 4.451 -4.714 -3.107 461 HB2 GLU 69 1HB GLU 69 5.854 -6.436 -3.909 462 HB3 GLU 69 2HB GLU 69 6.601 -4.939 -4.447 463 HG2 GLU 69 1HG GLU 69 8.300 -5.083 -2.823 464 HG3 GLU 69 2HG GLU 69 7.451 -6.350 -1.939 465 H TYR 70 H TYR 70 3.602 -6.275 -1.817 466 HA TYR 70 HA TYR 70 5.004 -6.953 0.667 467 HB2 TYR 70 1HB TYR 70 3.097 -6.527 2.035 468 HB3 TYR 70 2HB TYR 70 3.348 -5.085 1.058 469 HD1 TYR 70 2HD TYR 70 1.242 -8.089 1.477 470 HD2 TYR 70 1HD TYR 70 1.699 -4.346 -0.494 471 HE1 TYR 70 2HE TYR 70 -1.083 -8.227 0.688 472 HE2 TYR 70 1HE TYR 70 -0.625 -4.473 -1.287 473 HH TYR 70 HH TYR 70 -2.586 -5.562 -1.076 474 H ILE 71 H ILE 71 4.373 -8.940 1.611 475 HA ILE 71 HA ILE 71 2.575 -10.632 0.035 476 HB ILE 71 HB ILE 71 5.395 -11.404 0.788 477 HG12 ILE 71 1HG1 ILE 71 4.143 -11.343 -1.956 478 HG13 ILE 71 2HG1 ILE 71 4.988 -9.957 -1.277 479 HG21 ILE 71 1HG2 ILE 71 4.562 -13.470 0.959 480 HG22 ILE 71 2HG2 ILE 71 3.022 -13.003 0.237 481 HG23 ILE 71 3HG2 ILE 71 4.393 -13.409 -0.795 482 HD11 ILE 71 1HD1 ILE 71 7.030 -10.929 -1.484 483 HD12 ILE 71 2HD1 ILE 71 6.396 -12.564 -1.295 484 HD13 ILE 71 3HD1 ILE 71 6.196 -11.713 -2.826 485 HA PRO 72 HA PRO 72 1.418 -11.282 4.343 486 HB2 PRO 72 1HB PRO 72 -0.972 -12.428 3.755 487 HB3 PRO 72 2HB PRO 72 -0.716 -10.679 3.742 488 HG2 PRO 72 1HG PRO 72 -0.755 -12.605 1.450 489 HG3 PRO 72 2HG PRO 72 -1.484 -10.993 1.569 490 HD2 PRO 72 1HD PRO 72 0.857 -11.441 0.286 491 HD3 PRO 72 2HD PRO 72 0.509 -9.921 1.134 492 H PHE 73 H PHE 73 0.681 -13.239 5.552 493 HA PHE 73 HA PHE 73 1.715 -15.702 4.307 494 HB2 PHE 73 1HB PHE 73 1.986 -14.766 7.169 495 HB3 PHE 73 2HB PHE 73 2.409 -16.384 6.619 496 HD1 PHE 73 1HD PHE 73 3.055 -12.883 5.485 497 HD2 PHE 73 2HD PHE 73 4.651 -16.732 6.353 498 HE1 PHE 73 1HE PHE 73 5.302 -12.083 4.882 499 HE2 PHE 73 2HE PHE 73 6.901 -15.938 5.752 500 HZ PHE 73 HZ PHE 73 7.229 -13.611 5.016 501 H ALA 74 H ALA 74 -0.891 -14.162 5.835 502 HA ALA 74 HA ALA 74 -2.381 -16.679 5.865 503 HB1 ALA 74 1HB ALA 74 -2.130 -14.807 8.205 504 HB2 ALA 74 2HB ALA 74 -3.440 -15.978 8.048 505 HB3 ALA 74 3HB ALA 74 -1.769 -16.532 8.143 506 HA PRO 75 HA PRO 75 -5.440 -14.209 3.882 507 HB2 PRO 75 1HB PRO 75 -7.614 -15.769 4.343 508 HB3 PRO 75 2HB PRO 75 -6.361 -16.190 3.170 509 HG2 PRO 75 1HG PRO 75 -6.740 -17.173 5.972 510 HG3 PRO 75 2HG PRO 75 -6.312 -18.087 4.514 511 HD2 PRO 75 1HD PRO 75 -4.473 -17.333 6.352 512 HD3 PRO 75 2HD PRO 75 -4.095 -17.466 4.623 513 H GLY 76 H GLY 76 -7.108 -12.761 4.331 514 HA2 GLY 76 1HA GLY 76 -8.881 -12.544 6.319 515 HA3 GLY 76 2HA GLY 76 -7.397 -12.091 7.146 516 H ASP 77 H ASP 77 -8.676 -10.073 7.455 517 HA ASP 77 HA ASP 77 -8.716 -8.352 5.083 518 HB2 ASP 77 1HB ASP 77 -9.899 -6.768 6.766 519 HB3 ASP 77 2HB ASP 77 -10.779 -8.166 6.155 520 H TYR 78 H TYR 78 -6.802 -7.415 4.735 521 HA TYR 78 HA TYR 78 -5.203 -6.506 7.008 522 HB2 TYR 78 1HB TYR 78 -4.591 -6.878 4.079 523 HB3 TYR 78 2HB TYR 78 -3.487 -6.047 5.170 524 HD1 TYR 78 1HD TYR 78 -5.461 -9.229 5.140 525 HD2 TYR 78 2HD TYR 78 -1.757 -7.317 5.994 526 HE1 TYR 78 1HE TYR 78 -4.506 -11.393 5.812 527 HE2 TYR 78 2HE TYR 78 -0.791 -9.477 6.667 528 HH TYR 78 HH TYR 78 -1.121 -11.662 6.856 529 H ASP 79 H ASP 79 -4.084 -4.373 6.757 530 HA ASP 79 HA ASP 79 -5.713 -2.396 5.324 531 HB2 ASP 79 1HB ASP 79 -5.219 -2.562 8.254 532 HB3 ASP 79 2HB ASP 79 -5.184 -0.962 7.517 533 H VAL 80 H VAL 80 -4.295 -1.637 3.881 534 HA VAL 80 HA VAL 80 -1.490 -1.452 4.378 535 HB VAL 80 HB VAL 80 -3.091 -0.186 2.150 536 HG11 VAL 80 1HG1 VAL 80 -0.528 -0.841 1.271 537 HG12 VAL 80 2HG1 VAL 80 -1.162 0.773 1.599 538 HG13 VAL 80 3HG1 VAL 80 -0.296 -0.109 2.858 539 HG21 VAL 80 1HG2 VAL 80 -1.994 -2.932 2.545 540 HG22 VAL 80 2HG2 VAL 80 -3.530 -2.426 1.842 541 HG23 VAL 80 3HG2 VAL 80 -2.037 -2.243 0.922 542 H ASN 81 H ASN 81 -0.774 -0.036 5.850 543 HA ASN 81 HA ASN 81 -2.033 2.557 6.166 544 HB2 ASN 81 1HB ASN 81 0.198 1.134 7.612 545 HB3 ASN 81 2HB ASN 81 -0.201 2.818 7.941 546 HD21 ASN 81 1HD2 ASN 81 -1.499 -0.450 7.911 547 HD22 ASN 81 2HD2 ASN 81 -2.700 -0.180 9.123 548 H ILE 82 H ILE 82 -1.457 4.271 5.022 549 HA ILE 82 HA ILE 82 1.334 4.484 4.104 550 HB ILE 82 HB ILE 82 -1.116 5.325 2.551 551 HG12 ILE 82 1HG1 ILE 82 0.896 3.238 1.741 552 HG13 ILE 82 2HG1 ILE 82 -0.505 2.823 2.721 553 HG21 ILE 82 1HG2 ILE 82 1.044 5.378 0.850 554 HG22 ILE 82 2HG2 ILE 82 0.286 6.780 1.604 555 HG23 ILE 82 3HG2 ILE 82 1.699 6.033 2.350 556 HD11 ILE 82 1HD1 ILE 82 -0.924 4.325 0.191 557 HD12 ILE 82 2HD1 ILE 82 -0.563 2.600 0.119 558 HD13 ILE 82 3HD1 ILE 82 -1.975 3.169 1.008 559 H THR 83 H THR 83 2.279 6.149 5.061 560 HA THR 83 HA THR 83 0.714 8.609 5.481 561 HB THR 83 HB THR 83 2.150 9.010 7.519 562 HG1 THR 83 1HG THR 83 2.966 6.936 8.415 563 HG21 THR 83 1HG2 THR 83 0.185 8.431 8.419 564 HG22 THR 83 2HG2 THR 83 0.872 6.821 8.635 565 HG23 THR 83 3HG2 THR 83 -0.090 7.185 7.203 566 H TYR 84 H TYR 84 1.630 10.453 4.788 567 HA TYR 84 HA TYR 84 4.414 10.307 3.834 568 HB2 TYR 84 1HB TYR 84 2.457 10.618 2.156 569 HB3 TYR 84 2HB TYR 84 2.397 12.265 2.772 570 HD1 TYR 84 1HD TYR 84 5.202 9.957 1.875 571 HD2 TYR 84 2HD TYR 84 3.332 13.729 1.259 572 HE1 TYR 84 1HE TYR 84 7.009 10.594 0.333 573 HE2 TYR 84 2HE TYR 84 5.133 14.376 -0.287 574 HH TYR 84 HH TYR 84 7.975 13.107 -0.431 575 H GLY 85 H GLY 85 5.722 11.346 5.187 576 HA2 GLY 85 1HA GLY 85 6.632 13.063 6.418 577 HA3 GLY 85 2HA GLY 85 5.410 14.117 5.722 578 H GLY 86 H GLY 86 4.643 11.225 7.551 579 HA2 GLY 86 1HA GLY 86 3.870 10.979 9.729 580 HA3 GLY 86 2HA GLY 86 4.174 12.689 10.001 581 H ALA 87 H ALA 87 2.389 12.090 7.185 582 HA ALA 87 HA ALA 87 -0.133 12.634 8.610 583 HB1 ALA 87 1HB ALA 87 0.755 14.621 7.417 584 HB2 ALA 87 2HB ALA 87 0.626 13.723 5.904 585 HB3 ALA 87 3HB ALA 87 -0.825 14.096 6.835 586 H HIS 88 H HIS 88 -1.747 11.262 8.213 587 HA HIS 88 HA HIS 88 -1.360 9.025 6.487 588 HB2 HIS 88 1HB HIS 88 -3.489 9.956 8.347 589 HB3 HIS 88 2HB HIS 88 -3.948 8.789 7.109 590 HD1 HIS 88 1HD HIS 88 -2.412 6.529 7.113 591 HD2 HIS 88 2HD HIS 88 -2.383 8.846 10.561 592 HE1 HIS 88 1HE HIS 88 -1.536 5.024 8.927 593 HE2 HIS 88 2HE HIS 88 -1.608 6.421 11.021 594 H ILE 89 H ILE 89 -1.702 8.953 4.375 595 HA ILE 89 HA ILE 89 -2.835 11.078 2.908 596 HB ILE 89 HB ILE 89 -2.624 9.679 0.956 597 HG12 ILE 89 1HG1 ILE 89 -1.816 7.334 2.645 598 HG13 ILE 89 2HG1 ILE 89 -3.517 7.623 2.298 599 HG21 ILE 89 1HG2 ILE 89 -0.581 10.599 2.230 600 HG22 ILE 89 2HG2 ILE 89 -0.279 8.915 2.655 601 HG23 ILE 89 3HG2 ILE 89 -0.315 9.403 0.961 602 HD11 ILE 89 1HD1 ILE 89 -1.304 7.020 0.367 603 HD12 ILE 89 2HD1 ILE 89 -2.774 6.097 0.680 604 HD13 ILE 89 3HD1 ILE 89 -2.868 7.652 -0.145 605 HA PRO 90 HA PRO 90 -7.148 10.244 2.974 606 HB2 PRO 90 1HB PRO 90 -7.872 11.187 0.534 607 HB3 PRO 90 2HB PRO 90 -7.418 12.244 1.876 608 HG2 PRO 90 1HG PRO 90 -5.778 11.334 -0.457 609 HG3 PRO 90 2HG PRO 90 -5.889 12.947 0.271 610 HD2 PRO 90 1HD PRO 90 -3.837 11.257 0.782 611 HD3 PRO 90 2HD PRO 90 -4.446 12.410 1.986 612 H GLY 91 H GLY 91 -6.894 7.906 2.970 613 HA2 GLY 91 1HA GLY 91 -8.415 6.526 1.199 614 HA3 GLY 91 2HA GLY 91 -6.826 6.507 0.448 615 H SER 92 H SER 92 -5.751 6.572 3.346 616 HA SER 92 HA SER 92 -5.879 3.659 3.701 617 HB2 SER 92 1HB SER 92 -3.630 4.061 3.561 618 HB3 SER 92 2HB SER 92 -3.779 5.712 4.162 619 HG SER 92 HG SER 92 -3.794 4.980 6.213 620 HA PRO 93 HA PRO 93 -4.883 2.359 5.414 621 HB2 PRO 93 1HB PRO 93 -6.332 0.386 6.588 622 HB3 PRO 93 2HB PRO 93 -5.131 1.345 7.461 623 HG2 PRO 93 1HG PRO 93 -8.109 1.644 7.395 624 HG3 PRO 93 2HG PRO 93 -7.005 1.745 8.778 625 HD2 PRO 93 1HD PRO 93 -8.004 3.941 7.548 626 HD3 PRO 93 2HD PRO 93 -6.392 3.913 8.291 627 H PHE 94 H PHE 94 -5.185 0.737 3.857 628 HA PHE 94 HA PHE 94 -7.723 0.939 2.391 629 HB2 PHE 94 1HB PHE 94 -4.987 0.048 1.459 630 HB3 PHE 94 2HB PHE 94 -6.433 0.065 0.454 631 HD1 PHE 94 2HD PHE 94 -3.983 2.157 2.225 632 HD2 PHE 94 1HD PHE 94 -7.266 2.086 -0.484 633 HE1 PHE 94 2HE PHE 94 -3.524 4.496 1.613 634 HE2 PHE 94 1HE PHE 94 -6.811 4.424 -1.101 635 HZ PHE 94 HZ PHE 94 -4.939 5.632 -0.051 636 H ARG 95 H ARG 95 -9.043 -0.612 3.163 637 HA ARG 95 HA ARG 95 -8.215 -3.134 4.109 638 HB2 ARG 95 1HB ARG 95 -10.465 -1.817 4.421 639 HB3 ARG 95 2HB ARG 95 -10.956 -2.708 2.987 640 HG2 ARG 95 1HG ARG 95 -9.833 -4.092 5.397 641 HG3 ARG 95 2HG ARG 95 -11.547 -3.698 5.256 642 HD2 ARG 95 1HD ARG 95 -10.034 -5.261 3.175 643 HD3 ARG 95 2HD ARG 95 -10.885 -6.019 4.521 644 HE ARG 95 HE ARG 95 -12.045 -4.935 2.145 645 HH11 ARG 95 1HH1 ARG 95 -12.601 -5.542 5.528 646 HH12 ARG 95 2HH1 ARG 95 -14.324 -5.613 5.365 647 HH21 ARG 95 1HH2 ARG 95 -14.313 -5.025 1.919 648 HH22 ARG 95 2HH2 ARG 95 -15.297 -5.319 3.312 649 H VAL 96 H VAL 96 -7.692 -4.950 3.079 650 HA VAL 96 HA VAL 96 -8.610 -5.351 0.321 651 HB VAL 96 HB VAL 96 -5.767 -5.906 1.161 652 HG11 VAL 96 1HG1 VAL 96 -5.350 -6.444 -1.067 653 HG12 VAL 96 2HG1 VAL 96 -6.929 -7.168 -0.758 654 HG13 VAL 96 3HG1 VAL 96 -6.815 -5.642 -1.635 655 HG21 VAL 96 1HG2 VAL 96 -5.538 -3.901 -0.628 656 HG22 VAL 96 2HG2 VAL 96 -7.031 -3.429 0.183 657 HG23 VAL 96 3HG2 VAL 96 -5.554 -3.659 1.119 658 HA PRO 97 HA PRO 97 -9.615 -9.283 2.151 659 HB2 PRO 97 1HB PRO 97 -10.648 -10.387 -0.104 660 HB3 PRO 97 2HB PRO 97 -11.527 -9.209 0.878 661 HG2 PRO 97 1HG PRO 97 -9.983 -8.790 -1.652 662 HG3 PRO 97 2HG PRO 97 -11.557 -8.125 -1.179 663 HD2 PRO 97 1HD PRO 97 -9.262 -6.698 -1.010 664 HD3 PRO 97 2HD PRO 97 -10.609 -6.476 0.124 665 H VAL 98 H VAL 98 -7.834 -10.464 2.595 666 HA VAL 98 HA VAL 98 -6.120 -11.383 0.413 667 HB VAL 98 HB VAL 98 -5.778 -11.625 3.406 668 HG11 VAL 98 1HG1 VAL 98 -4.734 -13.458 2.047 669 HG12 VAL 98 2HG1 VAL 98 -3.747 -12.223 1.264 670 HG13 VAL 98 3HG1 VAL 98 -3.602 -12.499 3.000 671 HG21 VAL 98 1HG2 VAL 98 -5.259 -9.448 3.156 672 HG22 VAL 98 2HG2 VAL 98 -3.736 -10.080 2.530 673 HG23 VAL 98 3HG2 VAL 98 -5.015 -9.597 1.416 674 H LYS 99 H LYS 99 -7.015 -13.102 -0.583 675 HA LYS 99 HA LYS 99 -8.331 -15.189 0.941 676 HB2 LYS 99 1HB LYS 99 -7.755 -15.115 -2.023 677 HB3 LYS 99 2HB LYS 99 -8.910 -16.149 -1.193 678 HG2 LYS 99 1HG LYS 99 -10.377 -14.371 -0.780 679 HG3 LYS 99 2HG LYS 99 -9.145 -13.160 -1.139 680 HD2 LYS 99 1HD LYS 99 -10.511 -13.164 -3.037 681 HD3 LYS 99 2HD LYS 99 -9.130 -14.160 -3.502 682 HE2 LYS 99 1HE LYS 99 -11.506 -15.481 -2.286 683 HE3 LYS 99 2HE LYS 99 -11.605 -14.942 -3.961 684 HZ1 LYS 99 1HZ LYS 99 -9.799 -16.956 -2.779 685 HZ2 LYS 99 2HZ LYS 99 -9.416 -16.201 -4.243 686 HZ3 LYS 99 3HZ LYS 99 -10.835 -17.112 -4.108 687 H ASP 100 H ASP 100 -7.769 -17.509 0.362 688 HA ASP 100 HA ASP 100 -4.848 -17.813 0.510 689 HB2 ASP 100 1HB ASP 100 -5.619 -20.196 1.330 690 HB3 ASP 100 2HB ASP 100 -5.636 -18.820 2.430 691 H VAL 101 H VAL 101 -3.813 -18.664 -1.163 692 HA VAL 101 HA VAL 101 -4.945 -19.325 -3.584 693 HB VAL 101 HB VAL 101 -2.373 -20.445 -2.462 694 HG11 VAL 101 1HG1 VAL 101 -2.754 -21.712 -4.357 695 HG12 VAL 101 2HG1 VAL 101 -3.569 -20.393 -5.201 696 HG13 VAL 101 3HG1 VAL 101 -1.816 -20.363 -5.000 697 HG21 VAL 101 1HG2 VAL 101 -2.518 -17.976 -2.391 698 HG22 VAL 101 2HG2 VAL 101 -1.275 -18.560 -3.497 699 HG23 VAL 101 3HG2 VAL 101 -2.811 -17.970 -4.130 700 H VAL 102 H VAL 102 -3.952 -21.554 -0.994 701 HA VAL 102 HA VAL 102 -5.812 -23.541 -2.109 702 HB VAL 102 HB VAL 102 -4.268 -25.349 -1.601 703 HG11 VAL 102 1HG1 VAL 102 -2.291 -24.211 -3.153 704 HG12 VAL 102 2HG1 VAL 102 -3.743 -25.020 -3.745 705 HG13 VAL 102 3HG1 VAL 102 -3.725 -23.266 -3.554 706 HG21 VAL 102 1HG2 VAL 102 -2.635 -23.130 -0.469 707 HG22 VAL 102 2HG2 VAL 102 -2.938 -24.746 0.169 708 HG23 VAL 102 3HG2 VAL 102 -1.809 -24.523 -1.167 709 H ASP 103 H ASP 103 -6.938 -24.760 -0.634 710 HA ASP 103 HA ASP 103 -6.931 -23.748 2.093 711 HB2 ASP 103 1HB ASP 103 -8.777 -25.821 0.902 712 HB3 ASP 103 2HB ASP 103 -9.038 -24.858 2.353 713 HA PRO 104 HA PRO 104 -4.621 -27.099 3.772 714 HB2 PRO 104 1HB PRO 104 -5.477 -26.952 6.344 715 HB3 PRO 104 2HB PRO 104 -4.357 -25.782 5.636 716 HG2 PRO 104 1HG PRO 104 -7.313 -25.559 6.057 717 HG3 PRO 104 2HG PRO 104 -6.048 -24.349 6.341 718 HD2 PRO 104 1HD PRO 104 -7.617 -24.326 4.135 719 HD3 PRO 104 2HD PRO 104 -5.934 -23.763 4.115 720 H SER 105 H SER 105 -4.850 -29.248 4.274 721 HA SER 105 HA SER 105 -7.099 -30.632 3.506 722 HB2 SER 105 1HB SER 105 -4.998 -31.483 5.513 723 HB3 SER 105 2HB SER 105 -6.146 -32.571 4.735 724 HG SER 105 HG SER 105 -5.180 -32.198 2.788 Start of MODEL 10 1 H1 GLY 1 H GLY 1 11.254 20.925 -6.416 2 HA2 GLY 1 1HA GLY 1 13.298 19.925 -7.334 3 HA3 GLY 1 2HA GLY 1 13.508 21.400 -8.267 4 H SER 2 H SER 2 14.176 19.791 -5.343 5 HA SER 2 HA SER 2 15.258 20.381 -3.421 6 HB2 SER 2 1HB SER 2 16.631 21.871 -5.612 7 HB3 SER 2 2HB SER 2 17.083 22.241 -3.948 8 HG SER 2 HG SER 2 17.349 19.887 -3.721 9 H SER 3 H SER 3 12.785 21.617 -3.640 10 HA SER 3 HA SER 3 13.264 24.344 -2.648 11 HB2 SER 3 1HB SER 3 10.716 23.089 -3.698 12 HB3 SER 3 2HB SER 3 10.873 24.750 -3.127 13 HG SER 3 HG SER 3 11.480 25.204 -5.076 14 H GLY 4 H GLY 4 13.298 24.527 -0.513 15 HA2 GLY 4 1HA GLY 4 11.878 22.555 1.123 16 HA3 GLY 4 2HA GLY 4 13.111 23.673 1.688 17 H SER 5 H SER 5 9.735 23.260 0.926 18 HA SER 5 HA SER 5 9.010 25.972 1.538 19 HB2 SER 5 1HB SER 5 7.569 24.863 0.014 20 HB3 SER 5 2HB SER 5 7.421 23.452 1.061 21 HG SER 5 HG SER 5 6.378 26.049 1.532 22 H SER 6 H SER 6 7.995 26.750 3.374 23 HA SER 6 HA SER 6 8.367 25.096 5.772 24 HB2 SER 6 1HB SER 6 9.580 27.217 5.792 25 HB3 SER 6 2HB SER 6 8.083 28.098 5.489 26 HG SER 6 HG SER 6 8.969 26.825 7.819 27 H GLY 7 H GLY 7 6.603 24.133 6.518 28 HA2 GLY 7 1HA GLY 7 4.365 25.211 7.531 29 HA3 GLY 7 2HA GLY 7 3.968 25.131 5.821 30 H GLY 8 H GLY 8 4.757 22.820 4.905 31 HA2 GLY 8 1HA GLY 8 4.844 20.480 6.149 32 HA3 GLY 8 2HA GLY 8 3.168 20.917 6.442 33 H CYS 9 H CYS 9 4.346 18.692 4.892 34 HA CYS 9 HA CYS 9 3.975 19.195 2.124 35 HB2 CYS 9 1HB CYS 9 4.115 16.674 3.767 36 HB3 CYS 9 2HB CYS 9 3.821 16.632 2.033 37 HG CYS 9 HG CYS 9 6.391 18.542 2.395 38 H GLN 10 H GLN 10 2.341 17.688 0.899 39 HA GLN 10 HA GLN 10 -0.304 18.112 2.125 40 HB2 GLN 10 1HB GLN 10 0.609 18.343 -0.734 41 HB3 GLN 10 2HB GLN 10 -1.089 18.157 -0.317 42 HG2 GLN 10 1HG GLN 10 0.751 20.423 0.378 43 HG3 GLN 10 2HG GLN 10 -0.711 20.464 -0.606 44 HE21 GLN 10 1HE2 GLN 10 -0.049 22.061 1.709 45 HE22 GLN 10 2HE2 GLN 10 -1.278 21.759 2.885 46 HA PRO 11 HA PRO 11 -0.002 13.573 1.751 47 HB2 PRO 11 1HB PRO 11 -1.725 13.087 3.792 48 HB3 PRO 11 2HB PRO 11 -0.009 13.429 4.044 49 HG2 PRO 11 1HG PRO 11 -2.361 15.266 4.283 50 HG3 PRO 11 2HG PRO 11 -0.952 15.107 5.349 51 HD2 PRO 11 1HD PRO 11 -1.174 17.084 3.512 52 HD3 PRO 11 2HD PRO 11 0.389 16.380 3.973 53 H SER 12 H SER 12 -2.335 15.846 1.079 54 HA SER 12 HA SER 12 -4.471 13.930 0.555 55 HB2 SER 12 1HB SER 12 -5.819 15.912 -0.020 56 HB3 SER 12 2HB SER 12 -5.083 16.077 1.574 57 HG SER 12 HG SER 12 -4.696 17.556 -0.700 58 H ARG 13 H ARG 13 -1.955 15.620 -1.078 59 HA ARG 13 HA ARG 13 -3.107 15.384 -3.708 60 HB2 ARG 13 1HB ARG 13 -0.256 16.007 -2.919 61 HB3 ARG 13 2HB ARG 13 -0.977 16.254 -4.504 62 HG2 ARG 13 1HG ARG 13 -2.109 17.600 -2.085 63 HG3 ARG 13 2HG ARG 13 -0.709 18.268 -2.927 64 HD2 ARG 13 1HD ARG 13 -2.532 19.350 -3.907 65 HD3 ARG 13 2HD ARG 13 -2.129 18.068 -5.048 66 HE ARG 13 HE ARG 13 -4.155 17.381 -3.106 67 HH11 ARG 13 1HH1 ARG 13 -3.481 18.680 -6.265 68 HH12 ARG 13 2HH1 ARG 13 -5.059 18.331 -6.889 69 HH21 ARG 13 1HH2 ARG 13 -6.237 16.917 -3.916 70 HH22 ARG 13 2HH2 ARG 13 -6.626 17.329 -5.552 71 H VAL 14 H VAL 14 -1.480 13.307 -1.594 72 HA VAL 14 HA VAL 14 -0.078 11.721 -3.511 73 HB VAL 14 HB VAL 14 -0.989 10.910 -0.748 74 HG11 VAL 14 1HG1 VAL 14 -0.019 8.959 -1.167 75 HG12 VAL 14 2HG1 VAL 14 0.313 9.484 -2.819 76 HG13 VAL 14 3HG1 VAL 14 1.497 9.776 -1.544 77 HG21 VAL 14 1HG2 VAL 14 1.276 11.591 -0.028 78 HG22 VAL 14 2HG2 VAL 14 1.556 12.270 -1.631 79 HG23 VAL 14 3HG2 VAL 14 0.302 12.948 -0.594 80 H GLN 15 H GLN 15 -0.649 9.771 -4.432 81 HA GLN 15 HA GLN 15 -3.448 8.927 -4.102 82 HB2 GLN 15 1HB GLN 15 -3.043 8.247 -6.663 83 HB3 GLN 15 2HB GLN 15 -3.711 9.801 -6.183 84 HG2 GLN 15 1HG GLN 15 -1.465 10.786 -6.315 85 HG3 GLN 15 2HG GLN 15 -0.833 9.231 -6.853 86 HE21 GLN 15 1HE2 GLN 15 -2.706 8.392 -8.612 87 HE22 GLN 15 2HE2 GLN 15 -2.798 9.473 -9.956 88 H ALA 16 H ALA 16 -3.853 6.732 -4.208 89 HA ALA 16 HA ALA 16 -1.580 4.938 -4.648 90 HB1 ALA 16 1HB ALA 16 -2.123 3.666 -2.611 91 HB2 ALA 16 2HB ALA 16 -1.602 5.314 -2.256 92 HB3 ALA 16 3HB ALA 16 -3.313 4.894 -2.181 93 H GLN 17 H GLN 17 -2.166 3.448 -6.071 94 HA GLN 17 HA GLN 17 -4.796 2.208 -5.877 95 HB2 GLN 17 1HB GLN 17 -5.336 2.536 -8.203 96 HB3 GLN 17 2HB GLN 17 -5.039 4.104 -7.465 97 HG2 GLN 17 1HG GLN 17 -3.088 4.437 -8.619 98 HG3 GLN 17 2HG GLN 17 -2.799 2.713 -8.841 99 HE21 GLN 17 1HE2 GLN 17 -4.627 5.476 -9.947 100 HE22 GLN 17 2HE2 GLN 17 -5.069 4.816 -11.481 101 H GLY 18 H GLY 18 -4.960 0.341 -7.488 102 HA2 GLY 18 1HA GLY 18 -3.450 -1.091 -8.932 103 HA3 GLY 18 2HA GLY 18 -2.334 -1.007 -7.577 104 HA PRO 19 HA PRO 19 -5.094 -4.782 -7.215 105 HB2 PRO 19 1HB PRO 19 -3.082 -6.604 -7.179 106 HB3 PRO 19 2HB PRO 19 -3.846 -6.046 -8.672 107 HG2 PRO 19 1HG PRO 19 -1.268 -5.177 -7.422 108 HG3 PRO 19 2HG PRO 19 -1.628 -5.512 -9.126 109 HD2 PRO 19 1HD PRO 19 -1.519 -2.998 -8.128 110 HD3 PRO 19 2HD PRO 19 -2.608 -3.452 -9.455 111 H GLY 20 H GLY 20 -1.930 -4.112 -5.727 112 HA2 GLY 20 1HA GLY 20 -2.244 -5.621 -3.403 113 HA3 GLY 20 2HA GLY 20 -1.241 -4.185 -3.539 114 H LEU 21 H LEU 21 -3.994 -2.891 -4.367 115 HA LEU 21 HA LEU 21 -4.794 -2.329 -1.590 116 HB2 LEU 21 1HB LEU 21 -5.106 -0.597 -4.038 117 HB3 LEU 21 2HB LEU 21 -5.584 -0.166 -2.397 118 HG LEU 21 HG LEU 21 -2.740 -0.692 -3.251 119 HD11 LEU 21 1HD1 LEU 21 -3.754 1.283 -4.373 120 HD12 LEU 21 2HD1 LEU 21 -2.414 1.677 -3.296 121 HD13 LEU 21 3HD1 LEU 21 -4.075 1.966 -2.779 122 HD21 LEU 21 1HD2 LEU 21 -2.095 -0.110 -1.134 123 HD22 LEU 21 2HD2 LEU 21 -3.628 -0.908 -0.783 124 HD23 LEU 21 3HD2 LEU 21 -3.542 0.853 -0.836 125 H LYS 22 H LYS 22 -5.873 -3.332 -4.729 126 HA LYS 22 HA LYS 22 -8.683 -3.084 -4.081 127 HB2 LYS 22 1HB LYS 22 -7.671 -2.807 -6.407 128 HB3 LYS 22 2HB LYS 22 -7.497 -4.557 -6.429 129 HG2 LYS 22 1HG LYS 22 -9.871 -4.853 -6.251 130 HG3 LYS 22 2HG LYS 22 -10.111 -3.119 -6.029 131 HD2 LYS 22 1HD LYS 22 -10.581 -3.311 -8.264 132 HD3 LYS 22 2HD LYS 22 -8.846 -2.991 -8.338 133 HE2 LYS 22 1HE LYS 22 -8.343 -5.263 -8.718 134 HE3 LYS 22 2HE LYS 22 -9.961 -5.781 -8.246 135 HZ1 LYS 22 1HZ LYS 22 -10.438 -4.101 -10.310 136 HZ2 LYS 22 2HZ LYS 22 -10.368 -5.787 -10.425 137 HZ3 LYS 22 3HZ LYS 22 -9.004 -4.858 -10.795 138 H GLU 23 H GLU 23 -6.438 -5.767 -4.759 139 HA GLU 23 HA GLU 23 -7.733 -7.416 -2.785 140 HB2 GLU 23 1HB GLU 23 -8.468 -9.173 -4.234 141 HB3 GLU 23 2HB GLU 23 -9.176 -7.673 -4.816 142 HG2 GLU 23 1HG GLU 23 -7.388 -7.539 -6.519 143 HG3 GLU 23 2HG GLU 23 -6.801 -9.110 -5.976 144 H ALA 24 H ALA 24 -6.416 -9.025 -2.041 145 HA ALA 24 HA ALA 24 -3.889 -9.483 -3.477 146 HB1 ALA 24 1HB ALA 24 -3.477 -7.897 -1.663 147 HB2 ALA 24 2HB ALA 24 -4.152 -9.044 -0.505 148 HB3 ALA 24 3HB ALA 24 -2.666 -9.436 -1.370 149 H PHE 25 H PHE 25 -2.680 -11.369 -2.193 150 HA PHE 25 HA PHE 25 -4.606 -13.446 -1.450 151 HB2 PHE 25 1HB PHE 25 -2.777 -13.469 -3.795 152 HB3 PHE 25 2HB PHE 25 -2.945 -14.970 -2.891 153 HD1 PHE 25 2HD PHE 25 -4.890 -12.357 -4.662 154 HD2 PHE 25 1HD PHE 25 -4.780 -16.363 -3.228 155 HE1 PHE 25 2HE PHE 25 -6.982 -12.841 -5.863 156 HE2 PHE 25 1HE PHE 25 -6.871 -16.854 -4.429 157 HZ PHE 25 HZ PHE 25 -7.976 -15.091 -5.747 158 H THR 26 H THR 26 -3.340 -15.483 -0.721 159 HA THR 26 HA THR 26 -1.479 -14.602 1.312 160 HB THR 26 HB THR 26 -1.542 -17.007 2.036 161 HG1 THR 26 1HG THR 26 -3.095 -18.338 1.025 162 HG21 THR 26 1HG2 THR 26 -4.067 -16.914 2.600 163 HG22 THR 26 2HG2 THR 26 -4.025 -15.343 1.800 164 HG23 THR 26 3HG2 THR 26 -3.015 -15.640 3.214 165 H ASN 27 H ASN 27 0.671 -14.822 1.278 166 HA ASN 27 HA ASN 27 2.773 -15.259 0.527 167 HB2 ASN 27 1HB ASN 27 1.447 -17.834 -0.347 168 HB3 ASN 27 2HB ASN 27 3.188 -17.566 -0.330 169 HD21 ASN 27 1HD2 ASN 27 0.475 -16.986 1.889 170 HD22 ASN 27 2HD2 ASN 27 1.234 -17.698 3.269 171 H LYS 28 H LYS 28 1.007 -13.788 -1.199 172 HA LYS 28 HA LYS 28 2.219 -14.448 -3.802 173 HB2 LYS 28 1HB LYS 28 -0.584 -13.550 -3.174 174 HB3 LYS 28 2HB LYS 28 0.119 -13.313 -4.768 175 HG2 LYS 28 1HG LYS 28 0.634 -15.870 -4.594 176 HG3 LYS 28 2HG LYS 28 -0.662 -15.837 -3.395 177 HD2 LYS 28 1HD LYS 28 -1.897 -16.231 -5.275 178 HD3 LYS 28 2HD LYS 28 -1.892 -14.466 -5.297 179 HE2 LYS 28 1HE LYS 28 0.316 -15.911 -6.673 180 HE3 LYS 28 2HE LYS 28 -1.271 -15.881 -7.440 181 HZ1 LYS 28 1HZ LYS 28 0.679 -13.852 -7.355 182 HZ2 LYS 28 2HZ LYS 28 -0.721 -13.293 -6.589 183 HZ3 LYS 28 3HZ LYS 28 -0.798 -13.864 -8.180 184 HA PRO 29 HA PRO 29 3.864 -10.371 -3.788 185 HB2 PRO 29 1HB PRO 29 4.081 -9.944 -6.461 186 HB3 PRO 29 2HB PRO 29 5.151 -11.035 -5.572 187 HG2 PRO 29 1HG PRO 29 2.747 -11.679 -7.236 188 HG3 PRO 29 2HG PRO 29 4.318 -12.500 -7.174 189 HD2 PRO 29 1HD PRO 29 2.131 -13.439 -5.882 190 HD3 PRO 29 2HD PRO 29 3.777 -13.659 -5.256 191 H ASN 30 H ASN 30 2.625 -8.708 -3.173 192 HA ASN 30 HA ASN 30 0.510 -7.799 -5.012 193 HB2 ASN 30 1HB ASN 30 0.373 -7.269 -2.063 194 HB3 ASN 30 2HB ASN 30 -0.933 -7.325 -3.243 195 HD21 ASN 30 1HD2 ASN 30 0.702 -8.991 -0.844 196 HD22 ASN 30 2HD2 ASN 30 0.035 -10.561 -1.119 197 H VAL 31 H VAL 31 0.966 -5.898 -5.883 198 HA VAL 31 HA VAL 31 2.411 -3.908 -4.266 199 HB VAL 31 HB VAL 31 3.813 -3.275 -6.023 200 HG11 VAL 31 1HG1 VAL 31 4.413 -5.454 -5.019 201 HG12 VAL 31 2HG1 VAL 31 3.566 -6.264 -6.338 202 HG13 VAL 31 3HG1 VAL 31 4.988 -5.277 -6.676 203 HG21 VAL 31 1HG2 VAL 31 1.682 -4.381 -7.697 204 HG22 VAL 31 2HG2 VAL 31 2.783 -3.037 -8.002 205 HG23 VAL 31 3HG2 VAL 31 3.310 -4.694 -8.300 206 H PHE 32 H PHE 32 2.232 -1.671 -5.317 207 HA PHE 32 HA PHE 32 -0.207 -1.233 -6.823 208 HB2 PHE 32 1HB PHE 32 -0.887 0.532 -5.038 209 HB3 PHE 32 2HB PHE 32 -1.275 -1.161 -4.753 210 HD1 PHE 32 1HD PHE 32 0.864 1.642 -3.772 211 HD2 PHE 32 2HD PHE 32 -0.180 -2.415 -3.018 212 HE1 PHE 32 1HE PHE 32 2.065 1.735 -1.627 213 HE2 PHE 32 2HE PHE 32 1.019 -2.329 -0.872 214 HZ PHE 32 HZ PHE 32 2.143 -0.252 -0.173 215 H THR 33 H THR 33 -0.406 0.936 -7.624 216 HA THR 33 HA THR 33 2.197 2.188 -8.003 217 HB THR 33 HB THR 33 -0.426 2.927 -9.311 218 HG1 THR 33 1HG THR 33 1.638 1.253 -10.341 219 HG21 THR 33 1HG2 THR 33 2.157 4.110 -9.343 220 HG22 THR 33 2HG2 THR 33 0.731 4.567 -10.274 221 HG23 THR 33 3HG2 THR 33 1.870 3.390 -10.927 222 H VAL 34 H VAL 34 2.808 4.048 -7.092 223 HA VAL 34 HA VAL 34 0.756 5.683 -5.749 224 HB VAL 34 HB VAL 34 3.566 5.171 -4.763 225 HG11 VAL 34 1HG1 VAL 34 1.657 6.381 -2.927 226 HG12 VAL 34 2HG1 VAL 34 3.317 6.844 -3.303 227 HG13 VAL 34 3HG1 VAL 34 1.994 7.387 -4.336 228 HG21 VAL 34 1HG2 VAL 34 2.009 3.250 -4.514 229 HG22 VAL 34 2HG2 VAL 34 2.569 3.909 -2.977 230 HG23 VAL 34 3HG2 VAL 34 0.948 4.286 -3.559 231 H VAL 35 H VAL 35 0.565 7.511 -6.865 232 HA VAL 35 HA VAL 35 2.958 8.705 -8.079 233 HB VAL 35 HB VAL 35 0.021 9.101 -8.625 234 HG11 VAL 35 1HG1 VAL 35 1.331 10.571 -10.528 235 HG12 VAL 35 2HG1 VAL 35 0.514 11.231 -9.109 236 HG13 VAL 35 3HG1 VAL 35 2.252 10.933 -9.069 237 HG21 VAL 35 1HG2 VAL 35 2.303 7.796 -10.001 238 HG22 VAL 35 2HG2 VAL 35 0.611 7.309 -9.904 239 HG23 VAL 35 3HG2 VAL 35 1.095 8.601 -11.002 240 H THR 36 H THR 36 3.931 10.170 -6.848 241 HA THR 36 HA THR 36 2.253 12.038 -5.303 242 HB THR 36 HB THR 36 4.108 12.237 -3.683 243 HG1 THR 36 1HG THR 36 5.249 10.217 -5.328 244 HG21 THR 36 1HG2 THR 36 3.620 9.314 -3.764 245 HG22 THR 36 2HG2 THR 36 2.201 10.360 -3.726 246 HG23 THR 36 3HG2 THR 36 3.406 10.462 -2.443 247 H ARG 37 H ARG 37 2.737 12.741 -7.840 248 HA ARG 37 HA ARG 37 5.165 14.288 -8.062 249 HB2 ARG 37 1HB ARG 37 4.085 15.046 -10.234 250 HB3 ARG 37 2HB ARG 37 4.425 13.327 -10.090 251 HG2 ARG 37 1HG ARG 37 2.123 12.844 -9.640 252 HG3 ARG 37 2HG ARG 37 1.735 14.563 -9.558 253 HD2 ARG 37 1HD ARG 37 2.781 13.142 -12.003 254 HD3 ARG 37 2HD ARG 37 1.084 13.513 -11.703 255 HE ARG 37 HE ARG 37 2.821 15.805 -11.599 256 HH11 ARG 37 1HH1 ARG 37 0.889 13.752 -13.642 257 HH12 ARG 37 2HH1 ARG 37 0.670 14.956 -14.867 258 HH21 ARG 37 1HH2 ARG 37 2.539 17.400 -13.206 259 HH22 ARG 37 2HH2 ARG 37 1.609 17.031 -14.619 260 H GLY 38 H GLY 38 4.748 15.609 -6.140 261 HA2 GLY 38 1HA GLY 38 4.395 18.149 -6.271 262 HA3 GLY 38 2HA GLY 38 2.723 17.704 -6.580 263 H ALA 39 H ALA 39 2.912 15.406 -4.709 264 HA ALA 39 HA ALA 39 1.696 16.282 -2.501 265 HB1 ALA 39 1HB ALA 39 2.541 14.376 -1.281 266 HB2 ALA 39 2HB ALA 39 2.230 13.918 -2.956 267 HB3 ALA 39 3HB ALA 39 3.883 14.208 -2.414 268 H GLY 40 H GLY 40 5.219 16.320 -2.943 269 HA2 GLY 40 1HA GLY 40 6.036 18.575 -1.914 270 HA3 GLY 40 2HA GLY 40 5.502 17.804 -0.428 271 H ILE 41 H ILE 41 7.609 17.870 0.424 272 HA ILE 41 HA ILE 41 9.400 15.833 -0.723 273 HB ILE 41 HB ILE 41 10.323 18.386 0.599 274 HG12 ILE 41 1HG1 ILE 41 9.293 18.791 -1.618 275 HG13 ILE 41 2HG1 ILE 41 11.023 19.118 -1.613 276 HG21 ILE 41 1HG2 ILE 41 12.540 17.694 -0.212 277 HG22 ILE 41 2HG2 ILE 41 11.852 16.536 0.925 278 HG23 ILE 41 3HG2 ILE 41 11.838 16.189 -0.804 279 HD11 ILE 41 1HD1 ILE 41 10.345 17.968 -3.638 280 HD12 ILE 41 2HD1 ILE 41 11.430 16.962 -2.678 281 HD13 ILE 41 3HD1 ILE 41 9.697 16.636 -2.680 282 H GLY 42 H GLY 42 8.723 14.255 0.726 283 HA2 GLY 42 1HA GLY 42 9.856 14.526 3.399 284 HA3 GLY 42 2HA GLY 42 8.126 14.231 3.316 285 H GLY 43 H GLY 43 8.758 12.294 4.577 286 HA2 GLY 43 1HA GLY 43 9.857 10.165 2.857 287 HA3 GLY 43 2HA GLY 43 9.884 10.150 4.614 288 H LEU 44 H LEU 44 8.474 8.758 2.030 289 HA LEU 44 HA LEU 44 5.777 8.576 3.078 290 HB2 LEU 44 1HB LEU 44 6.154 8.694 0.666 291 HB3 LEU 44 2HB LEU 44 7.084 7.198 0.736 292 HG LEU 44 HG LEU 44 4.852 6.211 1.692 293 HD11 LEU 44 1HD1 LEU 44 3.704 8.369 1.851 294 HD12 LEU 44 2HD1 LEU 44 2.871 7.262 0.760 295 HD13 LEU 44 3HD1 LEU 44 3.853 8.573 0.106 296 HD21 LEU 44 1HD2 LEU 44 5.233 5.138 -0.223 297 HD22 LEU 44 2HD2 LEU 44 5.920 6.573 -0.984 298 HD23 LEU 44 3HD2 LEU 44 4.173 6.326 -0.981 299 H GLY 45 H GLY 45 5.215 7.165 4.591 300 HA2 GLY 45 1HA GLY 45 6.865 4.741 4.922 301 HA3 GLY 45 2HA GLY 45 5.961 5.520 6.212 302 H ILE 46 H ILE 46 5.972 3.010 4.012 303 HA ILE 46 HA ILE 46 3.048 2.699 4.172 304 HB ILE 46 HB ILE 46 4.963 1.370 2.251 305 HG12 ILE 46 1HG1 ILE 46 2.894 3.492 1.663 306 HG13 ILE 46 2HG1 ILE 46 4.594 3.853 1.940 307 HG21 ILE 46 1HG2 ILE 46 2.187 1.339 1.490 308 HG22 ILE 46 2HG2 ILE 46 3.315 -0.003 1.675 309 HG23 ILE 46 3HG2 ILE 46 2.411 0.587 3.070 310 HD11 ILE 46 1HD1 ILE 46 5.238 3.014 -0.068 311 HD12 ILE 46 2HD1 ILE 46 3.929 1.833 -0.123 312 HD13 ILE 46 3HD1 ILE 46 3.603 3.529 -0.481 313 H THR 47 H THR 47 2.232 1.095 5.353 314 HA THR 47 HA THR 47 3.903 -1.229 5.983 315 HB THR 47 HB THR 47 2.926 -1.105 8.364 316 HG1 THR 47 1HG THR 47 2.522 1.554 7.437 317 HG21 THR 47 1HG2 THR 47 4.724 0.906 8.766 318 HG22 THR 47 2HG2 THR 47 5.205 0.314 7.175 319 HG23 THR 47 3HG2 THR 47 5.149 -0.792 8.547 320 H VAL 48 H VAL 48 2.687 -3.074 6.762 321 HA VAL 48 HA VAL 48 -0.175 -2.970 6.067 322 HB VAL 48 HB VAL 48 1.816 -5.119 5.344 323 HG11 VAL 48 1HG1 VAL 48 -0.952 -5.391 5.984 324 HG12 VAL 48 2HG1 VAL 48 -0.725 -5.694 4.260 325 HG13 VAL 48 3HG1 VAL 48 0.189 -6.624 5.448 326 HG21 VAL 48 1HG2 VAL 48 1.928 -3.575 3.643 327 HG22 VAL 48 2HG2 VAL 48 0.636 -4.624 3.059 328 HG23 VAL 48 3HG2 VAL 48 0.244 -3.086 3.828 329 H GLU 49 H GLU 49 -1.547 -3.929 7.463 330 HA GLU 49 HA GLU 49 -0.371 -5.484 9.673 331 HB2 GLU 49 1HB GLU 49 -2.335 -3.241 9.697 332 HB3 GLU 49 2HB GLU 49 -2.532 -4.524 10.884 333 HG2 GLU 49 1HG GLU 49 0.153 -3.293 10.563 334 HG3 GLU 49 2HG GLU 49 -1.103 -2.380 11.397 335 H GLY 50 H GLY 50 -1.594 -7.206 10.504 336 HA2 GLY 50 1HA GLY 50 -4.192 -7.900 9.744 337 HA3 GLY 50 2HA GLY 50 -3.092 -8.653 8.599 338 HA PRO 51 HA PRO 51 -3.655 -11.530 12.194 339 HB2 PRO 51 1HB PRO 51 -4.073 -13.735 10.667 340 HB3 PRO 51 2HB PRO 51 -5.373 -12.635 11.141 341 HG2 PRO 51 1HG PRO 51 -3.867 -12.786 8.559 342 HG3 PRO 51 2HG PRO 51 -5.605 -12.564 8.829 343 HD2 PRO 51 1HD PRO 51 -3.949 -10.506 8.236 344 HD3 PRO 51 2HD PRO 51 -5.377 -10.314 9.273 345 H SER 52 H SER 52 -1.450 -10.966 9.770 346 HA SER 52 HA SER 52 0.586 -12.500 11.091 347 HB2 SER 52 1HB SER 52 1.193 -13.959 9.305 348 HB3 SER 52 2HB SER 52 -0.545 -14.154 9.528 349 HG SER 52 HG SER 52 -0.912 -13.205 7.651 350 H GLU 53 H GLU 53 2.668 -11.823 10.568 351 HA GLU 53 HA GLU 53 2.889 -9.180 9.571 352 HB2 GLU 53 1HB GLU 53 4.798 -11.263 10.525 353 HB3 GLU 53 2HB GLU 53 5.441 -9.907 9.609 354 HG2 GLU 53 1HG GLU 53 4.799 -8.355 11.218 355 HG3 GLU 53 2HG GLU 53 3.651 -9.465 11.965 356 H SER 54 H SER 54 2.999 -8.513 7.540 357 HA SER 54 HA SER 54 3.527 -10.452 5.423 358 HB2 SER 54 1HB SER 54 2.579 -7.583 5.226 359 HB3 SER 54 2HB SER 54 2.650 -8.746 3.902 360 HG SER 54 HG SER 54 1.202 -9.389 6.216 361 H LYS 55 H LYS 55 5.222 -10.345 4.027 362 HA LYS 55 HA LYS 55 7.517 -8.833 4.865 363 HB2 LYS 55 1HB LYS 55 6.960 -10.936 2.830 364 HB3 LYS 55 2HB LYS 55 8.379 -9.925 2.595 365 HG2 LYS 55 1HG LYS 55 9.252 -10.586 4.750 366 HG3 LYS 55 2HG LYS 55 7.795 -11.527 5.078 367 HD2 LYS 55 1HD LYS 55 9.369 -13.109 4.359 368 HD3 LYS 55 2HD LYS 55 8.361 -12.813 2.941 369 HE2 LYS 55 1HE LYS 55 10.599 -12.809 2.176 370 HE3 LYS 55 2HE LYS 55 10.090 -11.122 2.218 371 HZ1 LYS 55 1HZ LYS 55 11.380 -12.168 4.613 372 HZ2 LYS 55 2HZ LYS 55 11.503 -10.641 3.897 373 HZ3 LYS 55 3HZ LYS 55 12.367 -11.947 3.257 374 H ILE 56 H ILE 56 7.206 -6.673 4.511 375 HA ILE 56 HA ILE 56 6.331 -5.750 1.894 376 HB ILE 56 HB ILE 56 6.906 -4.339 4.487 377 HG12 ILE 56 1HG1 ILE 56 4.420 -4.318 2.773 378 HG13 ILE 56 2HG1 ILE 56 4.702 -5.520 4.028 379 HG21 ILE 56 1HG2 ILE 56 6.522 -3.153 1.754 380 HG22 ILE 56 2HG2 ILE 56 6.153 -2.258 3.227 381 HG23 ILE 56 3HG2 ILE 56 7.796 -2.824 2.928 382 HD11 ILE 56 1HD1 ILE 56 3.840 -2.749 4.245 383 HD12 ILE 56 2HD1 ILE 56 3.637 -4.097 5.365 384 HD13 ILE 56 3HD1 ILE 56 5.140 -3.174 5.358 385 H ASN 57 H ASN 57 7.554 -4.360 0.567 386 HA ASN 57 HA ASN 57 10.359 -3.939 1.191 387 HB2 ASN 57 1HB ASN 57 9.417 -5.680 -1.086 388 HB3 ASN 57 2HB ASN 57 11.000 -4.908 -1.086 389 HD21 ASN 57 1HD2 ASN 57 9.418 -7.680 -0.398 390 HD22 ASN 57 2HD2 ASN 57 10.508 -8.367 0.753 391 H CYS 58 H CYS 58 10.552 -1.829 0.840 392 HA CYS 58 HA CYS 58 8.914 -0.422 -1.043 393 HB2 CYS 58 1HB CYS 58 10.032 1.563 -0.280 394 HB3 CYS 58 2HB CYS 58 9.718 0.547 1.122 395 HG CYS 58 HG CYS 58 12.344 -0.389 1.318 396 H ARG 59 H ARG 59 9.585 0.685 -2.909 397 HA ARG 59 HA ARG 59 12.191 -0.123 -4.006 398 HB2 ARG 59 1HB ARG 59 10.058 -1.377 -4.876 399 HB3 ARG 59 2HB ARG 59 9.801 0.100 -5.795 400 HG2 ARG 59 1HG ARG 59 12.078 -0.170 -6.753 401 HG3 ARG 59 2HG ARG 59 12.186 -1.728 -5.931 402 HD2 ARG 59 1HD ARG 59 9.871 -1.122 -7.727 403 HD3 ARG 59 2HD ARG 59 11.414 -1.633 -8.410 404 HE ARG 59 HE ARG 59 9.548 -3.252 -6.910 405 HH11 ARG 59 1HH1 ARG 59 12.802 -2.913 -8.099 406 HH12 ARG 59 2HH1 ARG 59 13.148 -4.609 -8.017 407 HH21 ARG 59 1HH2 ARG 59 9.990 -5.487 -6.798 408 HH22 ARG 59 2HH2 ARG 59 11.547 -6.072 -7.278 409 H ASP 60 H ASP 60 13.257 1.396 -5.207 410 HA ASP 60 HA ASP 60 12.123 4.096 -5.131 411 HB2 ASP 60 1HB ASP 60 14.340 3.766 -4.106 412 HB3 ASP 60 2HB ASP 60 14.966 3.199 -5.652 413 H ASN 61 H ASN 61 11.337 5.000 -6.907 414 HA ASN 61 HA ASN 61 12.058 3.834 -9.510 415 HB2 ASN 61 1HB ASN 61 9.635 5.507 -8.812 416 HB3 ASN 61 2HB ASN 61 9.941 4.693 -10.344 417 HD21 ASN 61 1HD2 ASN 61 8.231 4.508 -7.587 418 HD22 ASN 61 2HD2 ASN 61 7.980 2.801 -7.498 419 H LYS 62 H LYS 62 13.361 4.980 -10.761 420 HA LYS 62 HA LYS 62 13.873 7.774 -10.164 421 HB2 LYS 62 1HB LYS 62 15.133 5.803 -12.067 422 HB3 LYS 62 2HB LYS 62 15.585 7.502 -12.028 423 HG2 LYS 62 1HG LYS 62 15.665 5.851 -9.536 424 HG3 LYS 62 2HG LYS 62 16.989 5.795 -10.703 425 HD2 LYS 62 1HD LYS 62 15.959 8.415 -9.674 426 HD3 LYS 62 2HD LYS 62 17.124 7.473 -8.740 427 HE2 LYS 62 1HE LYS 62 18.499 8.859 -9.976 428 HE3 LYS 62 2HE LYS 62 18.457 7.402 -10.967 429 HZ1 LYS 62 1HZ LYS 62 17.294 8.427 -12.586 430 HZ2 LYS 62 2HZ LYS 62 18.001 9.819 -11.937 431 HZ3 LYS 62 3HZ LYS 62 16.416 9.402 -11.517 432 H ASP 63 H ASP 63 11.279 7.308 -11.115 433 HA ASP 63 HA ASP 63 11.398 8.642 -13.740 434 HB2 ASP 63 1HB ASP 63 9.010 7.557 -13.963 435 HB3 ASP 63 2HB ASP 63 10.453 6.626 -14.352 436 H GLY 64 H GLY 64 9.380 8.144 -10.847 437 HA2 GLY 64 1HA GLY 64 8.989 10.600 -9.929 438 HA3 GLY 64 2HA GLY 64 7.985 10.653 -11.370 439 H SER 65 H SER 65 8.537 8.126 -8.924 440 HA SER 65 HA SER 65 6.011 8.417 -7.686 441 HB2 SER 65 1HB SER 65 5.020 6.252 -8.530 442 HB3 SER 65 2HB SER 65 5.058 7.559 -9.713 443 HG SER 65 HG SER 65 6.845 6.602 -10.669 444 H CYS 66 H CYS 66 5.463 6.116 -6.576 445 HA CYS 66 HA CYS 66 7.987 4.947 -5.631 446 HB2 CYS 66 1HB CYS 66 6.955 6.747 -4.081 447 HB3 CYS 66 2HB CYS 66 5.736 5.529 -3.725 448 HG CYS 66 HG CYS 66 8.513 3.971 -3.361 449 H SER 67 H SER 67 7.948 2.784 -5.260 450 HA SER 67 HA SER 67 5.372 1.418 -5.692 451 HB2 SER 67 1HB SER 67 8.124 0.841 -6.704 452 HB3 SER 67 2HB SER 67 7.040 -0.515 -6.395 453 HG SER 67 HG SER 67 5.505 0.927 -7.700 454 H ALA 68 H ALA 68 4.807 -0.254 -4.354 455 HA ALA 68 HA ALA 68 6.685 -1.057 -2.255 456 HB1 ALA 68 1HB ALA 68 3.937 -0.617 -1.305 457 HB2 ALA 68 2HB ALA 68 5.480 -0.297 -0.513 458 HB3 ALA 68 3HB ALA 68 4.845 0.842 -1.700 459 H GLU 69 H GLU 69 6.705 -3.193 -2.009 460 HA GLU 69 HA GLU 69 4.370 -4.724 -2.951 461 HB2 GLU 69 1HB GLU 69 5.852 -6.502 -3.601 462 HB3 GLU 69 2HB GLU 69 6.435 -5.006 -4.317 463 HG2 GLU 69 1HG GLU 69 8.115 -4.821 -2.547 464 HG3 GLU 69 2HG GLU 69 7.539 -6.334 -1.852 465 H TYR 70 H TYR 70 3.655 -6.466 -1.735 466 HA TYR 70 HA TYR 70 4.987 -7.054 0.791 467 HB2 TYR 70 1HB TYR 70 3.027 -6.667 2.139 468 HB3 TYR 70 2HB TYR 70 3.380 -5.195 1.242 469 HD1 TYR 70 2HD TYR 70 1.071 -8.027 1.584 470 HD2 TYR 70 1HD TYR 70 1.881 -4.393 -0.475 471 HE1 TYR 70 2HE TYR 70 -1.226 -8.019 0.707 472 HE2 TYR 70 1HE TYR 70 -0.415 -4.374 -1.356 473 HH TYR 70 HH TYR 70 -2.738 -5.471 -0.462 474 H ILE 71 H ILE 71 4.463 -9.068 1.664 475 HA ILE 71 HA ILE 71 2.617 -10.745 0.116 476 HB ILE 71 HB ILE 71 5.466 -11.455 0.809 477 HG12 ILE 71 1HG1 ILE 71 4.045 -11.500 -1.858 478 HG13 ILE 71 2HG1 ILE 71 4.999 -10.135 -1.288 479 HG21 ILE 71 1HG2 ILE 71 4.484 -13.574 -0.608 480 HG22 ILE 71 2HG2 ILE 71 4.685 -13.525 1.143 481 HG23 ILE 71 3HG2 ILE 71 3.118 -13.151 0.424 482 HD11 ILE 71 1HD1 ILE 71 6.093 -11.824 -2.871 483 HD12 ILE 71 2HD1 ILE 71 6.993 -11.312 -1.443 484 HD13 ILE 71 3HD1 ILE 71 6.180 -12.877 -1.459 485 HA PRO 72 HA PRO 72 1.475 -11.421 4.422 486 HB2 PRO 72 1HB PRO 72 -0.906 -12.585 3.836 487 HB3 PRO 72 2HB PRO 72 -0.665 -10.834 3.826 488 HG2 PRO 72 1HG PRO 72 -0.692 -12.755 1.531 489 HG3 PRO 72 2HG PRO 72 -1.434 -11.149 1.655 490 HD2 PRO 72 1HD PRO 72 0.909 -11.576 0.366 491 HD3 PRO 72 2HD PRO 72 0.550 -10.060 1.219 492 H PHE 73 H PHE 73 0.729 -13.394 5.619 493 HA PHE 73 HA PHE 73 1.787 -15.844 4.368 494 HB2 PHE 73 1HB PHE 73 2.057 -14.930 7.238 495 HB3 PHE 73 2HB PHE 73 2.512 -16.529 6.661 496 HD1 PHE 73 1HD PHE 73 3.077 -13.001 5.569 497 HD2 PHE 73 2HD PHE 73 4.762 -16.822 6.392 498 HE1 PHE 73 1HE PHE 73 5.304 -12.144 4.971 499 HE2 PHE 73 2HE PHE 73 6.992 -15.970 5.797 500 HZ PHE 73 HZ PHE 73 7.266 -13.628 5.085 501 H ALA 74 H ALA 74 -0.845 -14.325 5.831 502 HA ALA 74 HA ALA 74 -2.305 -16.855 5.899 503 HB1 ALA 74 1HB ALA 74 -2.959 -15.090 8.153 504 HB2 ALA 74 2HB ALA 74 -2.826 -16.847 8.085 505 HB3 ALA 74 3HB ALA 74 -1.374 -15.858 8.240 506 HA PRO 75 HA PRO 75 -5.383 -14.429 3.891 507 HB2 PRO 75 1HB PRO 75 -7.545 -16.001 4.364 508 HB3 PRO 75 2HB PRO 75 -6.287 -16.425 3.197 509 HG2 PRO 75 1HG PRO 75 -6.662 -17.382 6.008 510 HG3 PRO 75 2HG PRO 75 -6.225 -18.308 4.560 511 HD2 PRO 75 1HD PRO 75 -4.394 -17.521 6.393 512 HD3 PRO 75 2HD PRO 75 -4.013 -17.669 4.666 513 H GLY 76 H GLY 76 -6.802 -12.824 4.385 514 HA2 GLY 76 1HA GLY 76 -8.687 -12.624 6.320 515 HA3 GLY 76 2HA GLY 76 -7.209 -12.224 7.181 516 H ASP 77 H ASP 77 -8.538 -10.192 7.452 517 HA ASP 77 HA ASP 77 -8.451 -8.442 5.112 518 HB2 ASP 77 1HB ASP 77 -9.653 -6.841 6.710 519 HB3 ASP 77 2HB ASP 77 -10.532 -8.283 6.210 520 H TYR 78 H TYR 78 -6.710 -7.244 4.782 521 HA TYR 78 HA TYR 78 -5.030 -6.517 7.081 522 HB2 TYR 78 1HB TYR 78 -4.434 -6.833 4.146 523 HB3 TYR 78 2HB TYR 78 -3.331 -5.991 5.228 524 HD1 TYR 78 1HD TYR 78 -5.095 -9.247 4.810 525 HD2 TYR 78 2HD TYR 78 -1.733 -7.195 6.418 526 HE1 TYR 78 1HE TYR 78 -4.098 -11.400 5.458 527 HE2 TYR 78 2HE TYR 78 -0.726 -9.342 7.069 528 HH TYR 78 HH TYR 78 -2.410 -12.414 6.481 529 H ASP 79 H ASP 79 -3.910 -4.380 6.897 530 HA ASP 79 HA ASP 79 -5.570 -2.358 5.558 531 HB2 ASP 79 1HB ASP 79 -4.915 -2.584 8.457 532 HB3 ASP 79 2HB ASP 79 -4.953 -0.973 7.747 533 H VAL 80 H VAL 80 -4.266 -1.440 4.118 534 HA VAL 80 HA VAL 80 -1.416 -1.296 4.510 535 HB VAL 80 HB VAL 80 -3.090 -0.076 2.311 536 HG11 VAL 80 1HG1 VAL 80 -1.189 0.891 1.687 537 HG12 VAL 80 2HG1 VAL 80 -0.284 0.053 2.948 538 HG13 VAL 80 3HG1 VAL 80 -0.537 -0.719 1.382 539 HG21 VAL 80 1HG2 VAL 80 -2.038 -2.135 1.080 540 HG22 VAL 80 2HG2 VAL 80 -1.957 -2.808 2.708 541 HG23 VAL 80 3HG2 VAL 80 -3.511 -2.321 2.031 542 H ASN 81 H ASN 81 -0.724 0.135 5.988 543 HA ASN 81 HA ASN 81 -1.992 2.736 6.240 544 HB2 ASN 81 1HB ASN 81 0.188 1.329 7.776 545 HB3 ASN 81 2HB ASN 81 -0.220 3.018 8.067 546 HD21 ASN 81 1HD2 ASN 81 -1.354 -0.276 8.235 547 HD22 ASN 81 2HD2 ASN 81 -2.656 0.022 9.332 548 H ILE 82 H ILE 82 -1.395 4.373 4.997 549 HA ILE 82 HA ILE 82 1.438 4.585 4.212 550 HB ILE 82 HB ILE 82 -0.901 5.443 2.508 551 HG12 ILE 82 1HG1 ILE 82 0.928 3.145 1.877 552 HG13 ILE 82 2HG1 ILE 82 -0.490 2.901 2.890 553 HG21 ILE 82 1HG2 ILE 82 1.152 5.302 0.816 554 HG22 ILE 82 2HG2 ILE 82 0.772 6.762 1.729 555 HG23 ILE 82 3HG2 ILE 82 2.042 5.676 2.292 556 HD11 ILE 82 1HD1 ILE 82 -1.185 4.355 0.511 557 HD12 ILE 82 2HD1 ILE 82 -0.363 2.845 0.113 558 HD13 ILE 82 3HD1 ILE 82 -1.811 2.822 1.119 559 H THR 83 H THR 83 2.332 6.298 5.130 560 HA THR 83 HA THR 83 0.705 8.736 5.453 561 HB THR 83 HB THR 83 2.091 9.265 7.459 562 HG1 THR 83 1HG THR 83 3.776 7.668 6.785 563 HG21 THR 83 1HG2 THR 83 -0.118 8.330 7.773 564 HG22 THR 83 2HG2 THR 83 0.981 7.632 8.962 565 HG23 THR 83 3HG2 THR 83 0.505 6.697 7.545 566 H TYR 84 H TYR 84 1.599 10.641 4.827 567 HA TYR 84 HA TYR 84 4.252 10.486 3.567 568 HB2 TYR 84 1HB TYR 84 2.108 11.124 2.248 569 HB3 TYR 84 2HB TYR 84 2.265 12.680 3.055 570 HD1 TYR 84 1HD TYR 84 4.734 10.343 1.495 571 HD2 TYR 84 2HD TYR 84 3.082 14.262 1.593 572 HE1 TYR 84 1HE TYR 84 6.351 11.060 -0.214 573 HE2 TYR 84 2HE TYR 84 4.694 14.990 -0.117 574 HH TYR 84 HH TYR 84 6.183 13.261 -2.096 575 H GLY 85 H GLY 85 5.773 11.191 4.930 576 HA2 GLY 85 1HA GLY 85 6.996 12.763 6.106 577 HA3 GLY 85 2HA GLY 85 5.691 13.913 5.849 578 H GLY 86 H GLY 86 3.691 13.518 7.187 579 HA2 GLY 86 1HA GLY 86 4.072 12.068 9.661 580 HA3 GLY 86 2HA GLY 86 4.106 13.816 9.839 581 H ALA 87 H ALA 87 2.116 12.400 7.384 582 HA ALA 87 HA ALA 87 -0.264 12.627 9.082 583 HB1 ALA 87 1HB ALA 87 0.440 14.373 6.850 584 HB2 ALA 87 2HB ALA 87 -1.170 13.664 6.716 585 HB3 ALA 87 3HB ALA 87 -0.735 14.602 8.145 586 H HIS 88 H HIS 88 -2.228 11.733 7.962 587 HA HIS 88 HA HIS 88 -1.455 9.306 6.509 588 HB2 HIS 88 1HB HIS 88 -3.699 10.023 8.335 589 HB3 HIS 88 2HB HIS 88 -4.006 8.811 7.094 590 HD1 HIS 88 1HD HIS 88 -2.977 6.508 7.420 591 HD2 HIS 88 2HD HIS 88 -1.796 9.257 10.302 592 HE1 HIS 88 1HE HIS 88 -1.803 5.163 9.190 593 HE2 HIS 88 2HE HIS 88 -1.172 6.836 10.965 594 H ILE 89 H ILE 89 -1.896 9.085 4.419 595 HA ILE 89 HA ILE 89 -3.102 11.155 2.915 596 HB ILE 89 HB ILE 89 -2.846 9.731 0.989 597 HG12 ILE 89 1HG1 ILE 89 -1.939 7.440 2.696 598 HG13 ILE 89 2HG1 ILE 89 -3.657 7.669 2.390 599 HG21 ILE 89 1HG2 ILE 89 -0.425 8.898 2.441 600 HG22 ILE 89 2HG2 ILE 89 -0.595 9.828 0.954 601 HG23 ILE 89 3HG2 ILE 89 -0.809 10.617 2.516 602 HD11 ILE 89 1HD1 ILE 89 -3.481 7.103 0.199 603 HD12 ILE 89 2HD1 ILE 89 -1.822 7.687 0.064 604 HD13 ILE 89 3HD1 ILE 89 -2.153 6.146 0.855 605 HA PRO 90 HA PRO 90 -7.379 10.156 3.037 606 HB2 PRO 90 1HB PRO 90 -8.160 11.026 0.587 607 HB3 PRO 90 2HB PRO 90 -7.736 12.123 1.907 608 HG2 PRO 90 1HG PRO 90 -6.081 11.236 -0.425 609 HG3 PRO 90 2HG PRO 90 -6.249 12.857 0.276 610 HD2 PRO 90 1HD PRO 90 -4.128 11.256 0.797 611 HD3 PRO 90 2HD PRO 90 -4.771 12.407 1.987 612 H GLY 91 H GLY 91 -7.307 7.875 3.097 613 HA2 GLY 91 1HA GLY 91 -8.700 6.378 1.413 614 HA3 GLY 91 2HA GLY 91 -7.163 6.434 0.563 615 H SER 92 H SER 92 -5.946 6.587 3.418 616 HA SER 92 HA SER 92 -5.898 3.671 3.791 617 HB2 SER 92 1HB SER 92 -3.685 4.171 3.485 618 HB3 SER 92 2HB SER 92 -3.864 5.820 4.084 619 HG SER 92 HG SER 92 -3.739 5.093 6.147 620 HA PRO 93 HA PRO 93 -4.731 2.437 5.442 621 HB2 PRO 93 1HB PRO 93 -6.009 0.421 6.736 622 HB3 PRO 93 2HB PRO 93 -4.791 1.441 7.512 623 HG2 PRO 93 1HG PRO 93 -7.776 1.615 7.654 624 HG3 PRO 93 2HG PRO 93 -6.582 1.780 8.955 625 HD2 PRO 93 1HD PRO 93 -7.758 3.916 7.776 626 HD3 PRO 93 2HD PRO 93 -6.098 3.965 8.403 627 H PHE 94 H PHE 94 -5.024 1.073 3.737 628 HA PHE 94 HA PHE 94 -7.668 1.075 2.504 629 HB2 PHE 94 1HB PHE 94 -4.948 0.285 1.449 630 HB3 PHE 94 2HB PHE 94 -6.437 0.152 0.520 631 HD1 PHE 94 2HD PHE 94 -4.237 2.570 2.262 632 HD2 PHE 94 1HD PHE 94 -7.290 1.987 -0.646 633 HE1 PHE 94 2HE PHE 94 -3.981 4.905 1.530 634 HE2 PHE 94 1HE PHE 94 -7.038 4.321 -1.383 635 HZ PHE 94 HZ PHE 94 -5.383 5.783 -0.294 636 H ARG 95 H ARG 95 -8.993 -0.568 2.853 637 HA ARG 95 HA ARG 95 -8.199 -2.987 4.086 638 HB2 ARG 95 1HB ARG 95 -10.449 -2.138 4.369 639 HB3 ARG 95 2HB ARG 95 -10.746 -2.247 2.639 640 HG2 ARG 95 1HG ARG 95 -11.818 -4.066 3.856 641 HG3 ARG 95 2HG ARG 95 -10.588 -4.669 2.743 642 HD2 ARG 95 1HD ARG 95 -10.390 -5.853 4.821 643 HD3 ARG 95 2HD ARG 95 -9.000 -4.782 4.648 644 HE ARG 95 HE ARG 95 -9.705 -3.624 6.493 645 HH11 ARG 95 1HH1 ARG 95 -12.300 -5.641 5.345 646 HH12 ARG 95 2HH1 ARG 95 -13.316 -5.337 6.715 647 HH21 ARG 95 1HH2 ARG 95 -11.034 -3.217 8.302 648 HH22 ARG 95 2HH2 ARG 95 -12.595 -3.958 8.396 649 H VAL 96 H VAL 96 -7.495 -4.852 3.260 650 HA VAL 96 HA VAL 96 -7.857 -5.363 0.389 651 HB VAL 96 HB VAL 96 -5.260 -5.886 1.835 652 HG11 VAL 96 1HG1 VAL 96 -4.566 -6.925 -0.017 653 HG12 VAL 96 2HG1 VAL 96 -6.270 -6.994 -0.472 654 HG13 VAL 96 3HG1 VAL 96 -5.248 -5.686 -1.070 655 HG21 VAL 96 1HG2 VAL 96 -4.457 -4.006 0.262 656 HG22 VAL 96 2HG2 VAL 96 -6.157 -3.543 0.195 657 HG23 VAL 96 3HG2 VAL 96 -5.309 -3.560 1.741 658 HA PRO 97 HA PRO 97 -9.290 -9.117 2.451 659 HB2 PRO 97 1HB PRO 97 -10.628 -10.054 0.283 660 HB3 PRO 97 2HB PRO 97 -11.293 -8.823 1.363 661 HG2 PRO 97 1HG PRO 97 -9.951 -8.487 -1.291 662 HG3 PRO 97 2HG PRO 97 -11.402 -7.686 -0.662 663 HD2 PRO 97 1HD PRO 97 -8.971 -6.493 -0.681 664 HD3 PRO 97 2HD PRO 97 -10.182 -6.173 0.578 665 H VAL 98 H VAL 98 -7.354 -10.223 2.659 666 HA VAL 98 HA VAL 98 -5.989 -11.288 0.350 667 HB VAL 98 HB VAL 98 -5.514 -11.777 3.294 668 HG11 VAL 98 1HG1 VAL 98 -3.285 -12.201 1.471 669 HG12 VAL 98 2HG1 VAL 98 -3.889 -13.220 2.780 670 HG13 VAL 98 3HG1 VAL 98 -4.629 -13.305 1.181 671 HG21 VAL 98 1HG2 VAL 98 -3.567 -10.264 2.926 672 HG22 VAL 98 2HG2 VAL 98 -4.210 -9.903 1.324 673 HG23 VAL 98 3HG2 VAL 98 -5.133 -9.470 2.762 674 H LYS 99 H LYS 99 -6.700 -13.027 -0.679 675 HA LYS 99 HA LYS 99 -8.266 -15.029 0.776 676 HB2 LYS 99 1HB LYS 99 -7.820 -14.736 -2.200 677 HB3 LYS 99 2HB LYS 99 -8.938 -15.848 -1.422 678 HG2 LYS 99 1HG LYS 99 -10.409 -14.161 -0.830 679 HG3 LYS 99 2HG LYS 99 -9.178 -12.903 -0.968 680 HD2 LYS 99 1HD LYS 99 -10.432 -12.553 -2.876 681 HD3 LYS 99 2HD LYS 99 -9.141 -13.596 -3.479 682 HE2 LYS 99 1HE LYS 99 -10.971 -14.650 -4.365 683 HE3 LYS 99 2HE LYS 99 -10.828 -15.505 -2.830 684 HZ1 LYS 99 1HZ LYS 99 -12.835 -14.811 -2.257 685 HZ2 LYS 99 2HZ LYS 99 -13.019 -14.102 -3.782 686 HZ3 LYS 99 3HZ LYS 99 -12.408 -13.191 -2.494 687 H ASP 100 H ASP 100 -7.906 -17.345 0.035 688 HA ASP 100 HA ASP 100 -5.014 -17.871 0.047 689 HB2 ASP 100 1HB ASP 100 -5.921 -20.238 0.743 690 HB3 ASP 100 2HB ASP 100 -5.828 -18.938 1.928 691 H VAL 101 H VAL 101 -4.100 -18.677 -1.716 692 HA VAL 101 HA VAL 101 -5.401 -19.117 -4.120 693 HB VAL 101 HB VAL 101 -2.799 -20.369 -3.231 694 HG11 VAL 101 1HG1 VAL 101 -3.693 -19.740 -6.035 695 HG12 VAL 101 2HG1 VAL 101 -2.281 -20.669 -5.525 696 HG13 VAL 101 3HG1 VAL 101 -3.902 -21.323 -5.287 697 HG21 VAL 101 1HG2 VAL 101 -2.913 -17.889 -3.006 698 HG22 VAL 101 2HG2 VAL 101 -1.701 -18.449 -4.158 699 HG23 VAL 101 3HG2 VAL 101 -3.232 -17.794 -4.738 700 H VAL 102 H VAL 102 -4.074 -21.634 -1.963 701 HA VAL 102 HA VAL 102 -5.010 -23.865 -3.269 702 HB VAL 102 HB VAL 102 -5.115 -24.941 -0.965 703 HG11 VAL 102 1HG1 VAL 102 -2.605 -23.476 -1.775 704 HG12 VAL 102 2HG1 VAL 102 -2.677 -24.853 -0.674 705 HG13 VAL 102 3HG1 VAL 102 -3.133 -25.051 -2.367 706 HG21 VAL 102 1HG2 VAL 102 -5.436 -23.484 0.709 707 HG22 VAL 102 2HG2 VAL 102 -3.700 -23.195 0.587 708 HG23 VAL 102 3HG2 VAL 102 -4.832 -22.121 -0.234 709 H ASP 103 H ASP 103 -7.002 -24.257 -3.966 710 HA ASP 103 HA ASP 103 -9.354 -23.092 -3.340 711 HB2 ASP 103 1HB ASP 103 -10.494 -25.158 -4.077 712 HB3 ASP 103 2HB ASP 103 -9.153 -24.725 -5.135 713 HA PRO 104 HA PRO 104 -10.468 -24.088 0.792 714 HB2 PRO 104 1HB PRO 104 -13.171 -23.925 0.605 715 HB3 PRO 104 2HB PRO 104 -12.120 -22.505 0.580 716 HG2 PRO 104 1HG PRO 104 -13.398 -23.954 -1.705 717 HG3 PRO 104 2HG PRO 104 -13.247 -22.209 -1.432 718 HD2 PRO 104 1HD PRO 104 -11.612 -23.568 -3.109 719 HD3 PRO 104 2HD PRO 104 -11.069 -22.152 -2.185 720 H SER 105 H SER 105 -10.158 -26.115 1.491 721 HA SER 105 HA SER 105 -11.726 -28.296 0.319 722 HB2 SER 105 1HB SER 105 -9.306 -28.374 2.138 723 HB3 SER 105 2HB SER 105 -10.116 -29.788 1.463 724 HG SER 105 HG SER 105 -8.197 -28.391 0.361 Start of MODEL 11 1 H1 GLY 1 H GLY 1 15.449 14.766 17.754 2 HA2 GLY 1 1HA GLY 1 16.346 14.160 15.644 3 HA3 GLY 1 2HA GLY 1 14.608 14.073 15.398 4 H SER 2 H SER 2 13.703 15.337 13.889 5 HA SER 2 HA SER 2 14.733 17.865 13.106 6 HB2 SER 2 1HB SER 2 15.510 17.333 10.871 7 HB3 SER 2 2HB SER 2 16.420 16.370 12.034 8 HG SER 2 HG SER 2 14.555 14.789 11.530 9 H SER 3 H SER 3 13.035 18.998 12.455 10 HA SER 3 HA SER 3 11.014 17.803 10.747 11 HB2 SER 3 1HB SER 3 9.146 18.298 12.189 12 HB3 SER 3 2HB SER 3 10.290 17.312 13.100 13 HG SER 3 HG SER 3 11.110 19.557 13.747 14 H GLY 4 H GLY 4 9.518 19.396 9.866 15 HA2 GLY 4 1HA GLY 4 8.906 21.518 9.158 16 HA3 GLY 4 2HA GLY 4 10.044 22.197 10.312 17 H SER 5 H SER 5 11.970 22.922 9.605 18 HA SER 5 HA SER 5 13.457 23.749 8.078 19 HB2 SER 5 1HB SER 5 13.292 20.856 7.207 20 HB3 SER 5 2HB SER 5 14.537 21.983 6.669 21 HG SER 5 HG SER 5 14.517 20.532 8.870 22 H SER 6 H SER 6 10.943 24.475 7.358 23 HA SER 6 HA SER 6 9.535 24.979 5.614 24 HB2 SER 6 1HB SER 6 11.514 26.490 5.325 25 HB3 SER 6 2HB SER 6 12.172 25.330 4.171 26 HG SER 6 HG SER 6 10.078 25.627 3.045 27 H GLY 7 H GLY 7 9.630 22.275 5.806 28 HA2 GLY 7 1HA GLY 7 9.735 21.431 2.975 29 HA3 GLY 7 2HA GLY 7 10.240 20.376 4.287 30 H GLY 8 H GLY 8 7.410 22.511 4.064 31 HA2 GLY 8 1HA GLY 8 5.654 20.616 5.185 32 HA3 GLY 8 2HA GLY 8 5.172 22.066 4.317 33 H CYS 9 H CYS 9 5.069 18.746 4.310 34 HA CYS 9 HA CYS 9 4.938 18.473 1.411 35 HB2 CYS 9 1HB CYS 9 4.685 16.070 1.857 36 HB3 CYS 9 2HB CYS 9 6.095 16.727 2.679 37 HG CYS 9 HG CYS 9 3.167 15.649 4.032 38 H GLN 10 H GLN 10 3.066 16.998 0.632 39 HA GLN 10 HA GLN 10 0.555 17.861 1.902 40 HB2 GLN 10 1HB GLN 10 1.296 17.906 -1.018 41 HB3 GLN 10 2HB GLN 10 -0.376 17.938 -0.476 42 HG2 GLN 10 1HG GLN 10 -0.013 20.165 -0.678 43 HG3 GLN 10 2HG GLN 10 0.509 19.945 0.991 44 HE21 GLN 10 1HE2 GLN 10 1.298 21.321 -1.874 45 HE22 GLN 10 2HE2 GLN 10 3.006 21.475 -1.667 46 HA PRO 11 HA PRO 11 0.413 13.305 1.652 47 HB2 PRO 11 1HB PRO 11 -1.212 13.036 3.811 48 HB3 PRO 11 2HB PRO 11 0.541 13.219 3.945 49 HG2 PRO 11 1HG PRO 11 -1.609 15.276 4.273 50 HG3 PRO 11 2HG PRO 11 -0.155 15.010 5.253 51 HD2 PRO 11 1HD PRO 11 -0.310 16.953 3.374 52 HD3 PRO 11 2HD PRO 11 1.207 16.116 3.759 53 H SER 12 H SER 12 -1.737 15.772 1.058 54 HA SER 12 HA SER 12 -4.076 14.061 0.734 55 HB2 SER 12 1HB SER 12 -3.877 16.992 0.040 56 HB3 SER 12 2HB SER 12 -5.330 16.053 0.384 57 HG SER 12 HG SER 12 -4.366 15.762 2.543 58 H ARG 13 H ARG 13 -1.581 15.582 -1.140 59 HA ARG 13 HA ARG 13 -2.912 15.286 -3.669 60 HB2 ARG 13 1HB ARG 13 -0.054 15.922 -2.931 61 HB3 ARG 13 2HB ARG 13 -0.630 15.841 -4.590 62 HG2 ARG 13 1HG ARG 13 -2.427 17.550 -3.634 63 HG3 ARG 13 2HG ARG 13 -1.108 17.888 -2.510 64 HD2 ARG 13 1HD ARG 13 0.365 18.076 -4.597 65 HD3 ARG 13 2HD ARG 13 -1.147 18.161 -5.500 66 HE ARG 13 HE ARG 13 0.005 20.214 -3.847 67 HH11 ARG 13 1HH1 ARG 13 -2.924 18.974 -5.261 68 HH12 ARG 13 2HH1 ARG 13 -3.746 20.499 -5.217 69 HH21 ARG 13 1HH2 ARG 13 -1.065 22.227 -3.783 70 HH22 ARG 13 2HH2 ARG 13 -2.687 22.349 -4.377 71 H VAL 14 H VAL 14 -1.396 13.156 -1.579 72 HA VAL 14 HA VAL 14 -0.107 11.440 -3.458 73 HB VAL 14 HB VAL 14 -1.136 10.663 -0.730 74 HG11 VAL 14 1HG1 VAL 14 0.399 8.904 -0.797 75 HG12 VAL 14 2HG1 VAL 14 -0.287 8.930 -2.422 76 HG13 VAL 14 3HG1 VAL 14 1.307 9.624 -2.126 77 HG21 VAL 14 1HG2 VAL 14 1.646 11.642 -1.237 78 HG22 VAL 14 2HG2 VAL 14 0.346 12.784 -0.893 79 HG23 VAL 14 3HG2 VAL 14 0.758 11.536 0.284 80 H GLN 15 H GLN 15 -0.796 9.458 -4.283 81 HA GLN 15 HA GLN 15 -3.633 8.791 -3.961 82 HB2 GLN 15 1HB GLN 15 -2.280 8.848 -6.658 83 HB3 GLN 15 2HB GLN 15 -3.983 8.568 -6.320 84 HG2 GLN 15 1HG GLN 15 -4.151 10.884 -5.469 85 HG3 GLN 15 2HG GLN 15 -2.474 11.144 -5.946 86 HE21 GLN 15 1HE2 GLN 15 -2.153 11.974 -7.879 87 HE22 GLN 15 2HE2 GLN 15 -3.272 11.954 -9.195 88 H ALA 16 H ALA 16 -4.038 6.659 -3.815 89 HA ALA 16 HA ALA 16 -1.853 4.798 -4.485 90 HB1 ALA 16 1HB ALA 16 -1.800 3.967 -2.421 91 HB2 ALA 16 2HB ALA 16 -2.764 5.361 -1.931 92 HB3 ALA 16 3HB ALA 16 -3.558 3.841 -2.347 93 H GLN 17 H GLN 17 -2.420 3.345 -5.954 94 HA GLN 17 HA GLN 17 -5.034 2.111 -5.901 95 HB2 GLN 17 1HB GLN 17 -5.571 2.648 -8.232 96 HB3 GLN 17 2HB GLN 17 -5.475 4.101 -7.246 97 HG2 GLN 17 1HG GLN 17 -3.523 4.813 -8.241 98 HG3 GLN 17 2HG GLN 17 -3.083 3.193 -8.778 99 HE21 GLN 17 1HE2 GLN 17 -4.422 6.132 -9.662 100 HE22 GLN 17 2HE2 GLN 17 -5.076 5.671 -11.193 101 H GLY 18 H GLY 18 -5.178 0.228 -7.257 102 HA2 GLY 18 1HA GLY 18 -3.702 -0.948 -9.053 103 HA3 GLY 18 2HA GLY 18 -2.529 -0.940 -7.744 104 HA PRO 19 HA PRO 19 -5.000 -4.880 -7.553 105 HB2 PRO 19 1HB PRO 19 -2.841 -6.519 -7.396 106 HB3 PRO 19 2HB PRO 19 -3.535 -5.989 -8.933 107 HG2 PRO 19 1HG PRO 19 -1.148 -4.931 -7.467 108 HG3 PRO 19 2HG PRO 19 -1.346 -5.250 -9.201 109 HD2 PRO 19 1HD PRO 19 -1.540 -2.764 -8.145 110 HD3 PRO 19 2HD PRO 19 -2.479 -3.275 -9.563 111 H GLY 20 H GLY 20 -1.943 -4.179 -5.840 112 HA2 GLY 20 1HA GLY 20 -2.392 -5.704 -3.566 113 HA3 GLY 20 2HA GLY 20 -1.419 -4.241 -3.606 114 H LEU 21 H LEU 21 -4.101 -2.953 -4.589 115 HA LEU 21 HA LEU 21 -5.069 -2.414 -1.868 116 HB2 LEU 21 1HB LEU 21 -5.396 -0.797 -4.391 117 HB3 LEU 21 2HB LEU 21 -5.985 -0.340 -2.794 118 HG LEU 21 HG LEU 21 -3.080 -0.664 -3.541 119 HD11 LEU 21 1HD1 LEU 21 -4.948 1.610 -3.690 120 HD12 LEU 21 2HD1 LEU 21 -3.471 1.288 -4.598 121 HD13 LEU 21 3HD1 LEU 21 -3.376 1.943 -2.963 122 HD21 LEU 21 1HD2 LEU 21 -2.838 0.637 -1.354 123 HD22 LEU 21 2HD2 LEU 21 -3.244 -1.076 -1.243 124 HD23 LEU 21 3HD2 LEU 21 -4.499 0.144 -1.023 125 H LYS 22 H LYS 22 -6.032 -3.494 -5.039 126 HA LYS 22 HA LYS 22 -8.854 -3.418 -4.471 127 HB2 LYS 22 1HB LYS 22 -7.188 -4.479 -6.737 128 HB3 LYS 22 2HB LYS 22 -8.904 -4.853 -6.628 129 HG2 LYS 22 1HG LYS 22 -9.531 -2.627 -6.925 130 HG3 LYS 22 2HG LYS 22 -7.920 -2.025 -6.525 131 HD2 LYS 22 1HD LYS 22 -7.080 -3.144 -8.600 132 HD3 LYS 22 2HD LYS 22 -8.757 -3.506 -9.016 133 HE2 LYS 22 1HE LYS 22 -7.866 -0.705 -8.415 134 HE3 LYS 22 2HE LYS 22 -7.669 -1.402 -10.023 135 HZ1 LYS 22 1HZ LYS 22 -10.300 -1.599 -8.758 136 HZ2 LYS 22 2HZ LYS 22 -9.898 -1.422 -10.391 137 HZ3 LYS 22 3HZ LYS 22 -9.824 -0.088 -9.353 138 H GLU 23 H GLU 23 -6.459 -6.017 -4.939 139 HA GLU 23 HA GLU 23 -7.665 -7.616 -2.890 140 HB2 GLU 23 1HB GLU 23 -8.392 -9.466 -4.232 141 HB3 GLU 23 2HB GLU 23 -9.180 -8.015 -4.835 142 HG2 GLU 23 1HG GLU 23 -7.589 -7.889 -6.666 143 HG3 GLU 23 2HG GLU 23 -6.751 -9.312 -6.051 144 H ALA 24 H ALA 24 -6.303 -9.207 -2.152 145 HA ALA 24 HA ALA 24 -3.787 -9.600 -3.629 146 HB1 ALA 24 1HB ALA 24 -2.973 -8.227 -1.996 147 HB2 ALA 24 2HB ALA 24 -4.184 -8.726 -0.815 148 HB3 ALA 24 3HB ALA 24 -2.822 -9.784 -1.182 149 H PHE 25 H PHE 25 -2.520 -11.425 -2.190 150 HA PHE 25 HA PHE 25 -4.381 -13.574 -1.518 151 HB2 PHE 25 1HB PHE 25 -2.434 -13.600 -3.794 152 HB3 PHE 25 2HB PHE 25 -2.774 -15.098 -2.932 153 HD1 PHE 25 2HD PHE 25 -4.192 -12.464 -5.058 154 HD2 PHE 25 1HD PHE 25 -4.876 -16.211 -3.159 155 HE1 PHE 25 2HE PHE 25 -6.219 -12.779 -6.417 156 HE2 PHE 25 1HE PHE 25 -6.903 -16.533 -4.515 157 HZ PHE 25 HZ PHE 25 -7.578 -14.815 -6.146 158 H THR 26 H THR 26 -3.227 -15.472 -0.569 159 HA THR 26 HA THR 26 -1.330 -14.541 1.379 160 HB THR 26 HB THR 26 -1.427 -16.835 2.278 161 HG1 THR 26 1HG THR 26 -2.749 -17.277 -0.161 162 HG21 THR 26 1HG2 THR 26 -3.993 -16.876 2.598 163 HG22 THR 26 2HG2 THR 26 -3.978 -15.381 1.663 164 HG23 THR 26 3HG2 THR 26 -3.093 -15.479 3.185 165 H ASN 27 H ASN 27 0.820 -14.721 1.335 166 HA ASN 27 HA ASN 27 2.929 -15.235 0.659 167 HB2 ASN 27 1HB ASN 27 1.568 -17.775 -0.259 168 HB3 ASN 27 2HB ASN 27 3.313 -17.539 -0.240 169 HD21 ASN 27 1HD2 ASN 27 0.546 -17.093 1.941 170 HD22 ASN 27 2HD2 ASN 27 1.316 -17.774 3.330 171 H LYS 28 H LYS 28 1.009 -13.864 -1.141 172 HA LYS 28 HA LYS 28 2.350 -14.438 -3.702 173 HB2 LYS 28 1HB LYS 28 -0.485 -13.657 -3.100 174 HB3 LYS 28 2HB LYS 28 0.227 -13.280 -4.663 175 HG2 LYS 28 1HG LYS 28 0.869 -15.848 -4.572 176 HG3 LYS 28 2HG LYS 28 -0.534 -15.897 -3.502 177 HD2 LYS 28 1HD LYS 28 -1.539 -16.247 -5.537 178 HD3 LYS 28 2HD LYS 28 -1.646 -14.489 -5.421 179 HE2 LYS 28 1HE LYS 28 0.681 -14.581 -6.624 180 HE3 LYS 28 2HE LYS 28 0.131 -16.181 -7.119 181 HZ1 LYS 28 1HZ LYS 28 -0.517 -14.686 -8.803 182 HZ2 LYS 28 2HZ LYS 28 -1.143 -13.570 -7.698 183 HZ3 LYS 28 3HZ LYS 28 -1.930 -15.047 -7.945 184 HA PRO 29 HA PRO 29 3.941 -10.337 -3.576 185 HB2 PRO 29 1HB PRO 29 4.336 -9.933 -6.232 186 HB3 PRO 29 2HB PRO 29 5.362 -10.994 -5.259 187 HG2 PRO 29 1HG PRO 29 3.092 -11.702 -7.077 188 HG3 PRO 29 2HG PRO 29 4.669 -12.492 -6.897 189 HD2 PRO 29 1HD PRO 29 2.415 -13.459 -5.749 190 HD3 PRO 29 2HD PRO 29 4.018 -13.641 -5.008 191 H ASN 30 H ASN 30 2.655 -8.672 -3.084 192 HA ASN 30 HA ASN 30 0.640 -7.837 -5.065 193 HB2 ASN 30 1HB ASN 30 0.294 -7.217 -2.157 194 HB3 ASN 30 2HB ASN 30 -0.927 -7.393 -3.414 195 HD21 ASN 30 1HD2 ASN 30 0.970 -8.978 -1.031 196 HD22 ASN 30 2HD2 ASN 30 0.260 -10.545 -1.191 197 H VAL 31 H VAL 31 1.051 -5.916 -5.916 198 HA VAL 31 HA VAL 31 2.468 -3.916 -4.281 199 HB VAL 31 HB VAL 31 3.738 -3.170 -6.148 200 HG11 VAL 31 1HG1 VAL 31 5.243 -4.868 -6.237 201 HG12 VAL 31 2HG1 VAL 31 4.207 -5.513 -4.963 202 HG13 VAL 31 3HG1 VAL 31 4.022 -6.079 -6.624 203 HG21 VAL 31 1HG2 VAL 31 3.511 -4.031 -8.387 204 HG22 VAL 31 2HG2 VAL 31 2.287 -5.186 -7.860 205 HG23 VAL 31 3HG2 VAL 31 1.939 -3.458 -7.831 206 H PHE 32 H PHE 32 2.247 -1.667 -5.323 207 HA PHE 32 HA PHE 32 -0.217 -1.229 -6.776 208 HB2 PHE 32 1HB PHE 32 -0.956 0.448 -4.954 209 HB3 PHE 32 2HB PHE 32 -1.259 -1.264 -4.681 210 HD1 PHE 32 2HD PHE 32 0.187 -2.537 -3.122 211 HD2 PHE 32 1HD PHE 32 0.482 1.688 -3.544 212 HE1 PHE 32 2HE PHE 32 1.405 -2.412 -0.988 213 HE2 PHE 32 1HE PHE 32 1.701 1.820 -1.411 214 HZ PHE 32 HZ PHE 32 2.163 -0.232 -0.130 215 H THR 33 H THR 33 -0.474 0.981 -7.476 216 HA THR 33 HA THR 33 2.109 2.296 -7.813 217 HB THR 33 HB THR 33 -0.530 2.931 -9.146 218 HG1 THR 33 1HG THR 33 1.699 1.476 -10.168 219 HG21 THR 33 1HG2 THR 33 1.854 4.402 -9.015 220 HG22 THR 33 2HG2 THR 33 0.493 4.665 -10.105 221 HG23 THR 33 3HG2 THR 33 1.844 3.650 -10.609 222 H VAL 34 H VAL 34 2.677 4.016 -6.665 223 HA VAL 34 HA VAL 34 0.556 5.592 -5.355 224 HB VAL 34 HB VAL 34 3.378 5.104 -4.389 225 HG11 VAL 34 1HG1 VAL 34 1.336 6.374 -2.663 226 HG12 VAL 34 2HG1 VAL 34 3.079 6.633 -2.739 227 HG13 VAL 34 3HG1 VAL 34 2.024 7.363 -3.950 228 HG21 VAL 34 1HG2 VAL 34 0.857 3.725 -3.952 229 HG22 VAL 34 2HG2 VAL 34 2.501 3.226 -3.556 230 HG23 VAL 34 3HG2 VAL 34 1.604 4.262 -2.447 231 H VAL 35 H VAL 35 0.304 7.473 -6.359 232 HA VAL 35 HA VAL 35 2.541 8.716 -7.751 233 HB VAL 35 HB VAL 35 -0.351 9.578 -7.593 234 HG11 VAL 35 1HG1 VAL 35 0.594 10.712 -9.836 235 HG12 VAL 35 2HG1 VAL 35 0.587 11.522 -8.268 236 HG13 VAL 35 3HG1 VAL 35 2.055 10.738 -8.851 237 HG21 VAL 35 1HG2 VAL 35 0.959 7.516 -9.111 238 HG22 VAL 35 2HG2 VAL 35 -0.754 7.931 -9.033 239 HG23 VAL 35 3HG2 VAL 35 0.300 8.750 -10.186 240 H THR 36 H THR 36 3.854 9.968 -6.603 241 HA THR 36 HA THR 36 2.670 11.755 -4.579 242 HB THR 36 HB THR 36 4.670 11.605 -3.255 243 HG1 THR 36 1HG THR 36 6.387 11.305 -4.507 244 HG21 THR 36 1HG2 THR 36 3.033 9.335 -3.854 245 HG22 THR 36 2HG2 THR 36 3.785 9.785 -2.324 246 HG23 THR 36 3HG2 THR 36 4.667 8.789 -3.481 247 H ARG 37 H ARG 37 3.161 12.229 -7.444 248 HA ARG 37 HA ARG 37 5.463 13.800 -7.836 249 HB2 ARG 37 1HB ARG 37 2.815 13.604 -9.237 250 HB3 ARG 37 2HB ARG 37 3.986 14.828 -9.712 251 HG2 ARG 37 1HG ARG 37 5.599 12.733 -9.787 252 HG3 ARG 37 2HG ARG 37 4.074 11.883 -10.041 253 HD2 ARG 37 1HD ARG 37 4.789 14.315 -11.643 254 HD3 ARG 37 2HD ARG 37 5.375 12.716 -12.100 255 HE ARG 37 HE ARG 37 2.635 12.498 -11.735 256 HH11 ARG 37 1HH1 ARG 37 4.836 14.209 -13.820 257 HH12 ARG 37 2HH1 ARG 37 3.735 14.262 -15.156 258 HH21 ARG 37 1HH2 ARG 37 1.176 12.562 -13.487 259 HH22 ARG 37 2HH2 ARG 37 1.653 13.326 -14.965 260 H GLY 38 H GLY 38 2.138 14.691 -6.952 261 HA2 GLY 38 1HA GLY 38 2.825 17.488 -6.712 262 HA3 GLY 38 2HA GLY 38 1.271 16.757 -6.339 263 H ALA 39 H ALA 39 2.177 14.806 -4.501 264 HA ALA 39 HA ALA 39 1.913 15.950 -2.086 265 HB1 ALA 39 1HB ALA 39 3.394 13.534 -2.976 266 HB2 ALA 39 2HB ALA 39 3.598 14.066 -1.307 267 HB3 ALA 39 3HB ALA 39 1.990 13.677 -1.918 268 H GLY 40 H GLY 40 5.040 15.526 -3.739 269 HA2 GLY 40 1HA GLY 40 6.597 17.423 -3.649 270 HA3 GLY 40 2HA GLY 40 6.123 17.630 -1.969 271 H ILE 41 H ILE 41 7.826 17.171 -0.742 272 HA ILE 41 HA ILE 41 9.243 14.640 -1.249 273 HB ILE 41 HB ILE 41 10.506 17.233 -0.351 274 HG12 ILE 41 1HG1 ILE 41 11.028 15.656 -2.874 275 HG13 ILE 41 2HG1 ILE 41 9.902 17.007 -2.800 276 HG21 ILE 41 1HG2 ILE 41 11.338 14.469 -0.102 277 HG22 ILE 41 2HG2 ILE 41 12.503 15.431 -1.011 278 HG23 ILE 41 3HG2 ILE 41 12.029 15.925 0.614 279 HD11 ILE 41 1HD1 ILE 41 11.765 18.076 -3.543 280 HD12 ILE 41 2HD1 ILE 41 12.002 18.246 -1.803 281 HD13 ILE 41 3HD1 ILE 41 12.864 16.991 -2.692 282 H GLY 42 H GLY 42 9.493 13.336 0.472 283 HA2 GLY 42 1HA GLY 42 9.809 14.110 3.132 284 HA3 GLY 42 2HA GLY 42 8.089 13.862 2.870 285 H GLY 43 H GLY 43 9.464 12.332 4.700 286 HA2 GLY 43 1HA GLY 43 10.378 9.868 3.579 287 HA3 GLY 43 2HA GLY 43 10.009 10.166 5.271 288 H LEU 44 H LEU 44 9.068 8.542 2.500 289 HA LEU 44 HA LEU 44 6.252 8.376 3.132 290 HB2 LEU 44 1HB LEU 44 6.929 8.329 0.816 291 HB3 LEU 44 2HB LEU 44 7.958 6.930 1.112 292 HG LEU 44 HG LEU 44 5.773 5.725 1.752 293 HD11 LEU 44 1HD1 LEU 44 4.192 7.420 1.921 294 HD12 LEU 44 2HD1 LEU 44 3.854 6.703 0.346 295 HD13 LEU 44 3HD1 LEU 44 4.747 8.220 0.450 296 HD21 LEU 44 1HD2 LEU 44 6.616 6.516 -1.013 297 HD22 LEU 44 2HD2 LEU 44 5.249 5.431 -0.753 298 HD23 LEU 44 3HD2 LEU 44 6.854 4.984 -0.171 299 H GLY 45 H GLY 45 5.295 6.890 4.374 300 HA2 GLY 45 1HA GLY 45 6.885 4.523 5.154 301 HA3 GLY 45 2HA GLY 45 5.905 5.419 6.305 302 H ILE 46 H ILE 46 5.959 2.950 3.943 303 HA ILE 46 HA ILE 46 3.031 2.685 4.066 304 HB ILE 46 HB ILE 46 4.992 1.511 2.093 305 HG12 ILE 46 1HG1 ILE 46 2.800 3.568 1.742 306 HG13 ILE 46 2HG1 ILE 46 4.524 3.919 1.802 307 HG21 ILE 46 1HG2 ILE 46 2.211 1.296 1.360 308 HG22 ILE 46 2HG2 ILE 46 3.453 0.047 1.440 309 HG23 ILE 46 3HG2 ILE 46 2.533 0.469 2.884 310 HD11 ILE 46 1HD1 ILE 46 3.411 2.038 -0.237 311 HD12 ILE 46 2HD1 ILE 46 3.373 3.785 -0.482 312 HD13 ILE 46 3HD1 ILE 46 4.916 2.957 -0.271 313 H THR 47 H THR 47 2.473 1.397 5.704 314 HA THR 47 HA THR 47 3.973 -1.116 6.066 315 HB THR 47 HB THR 47 3.029 -1.043 8.442 316 HG1 THR 47 1HG THR 47 2.960 1.716 8.331 317 HG21 THR 47 1HG2 THR 47 4.769 0.832 9.058 318 HG22 THR 47 2HG2 THR 47 5.181 0.711 7.348 319 HG23 THR 47 3HG2 THR 47 5.305 -0.707 8.387 320 H VAL 48 H VAL 48 2.637 -2.880 7.069 321 HA VAL 48 HA VAL 48 -0.178 -2.751 6.227 322 HB VAL 48 HB VAL 48 1.751 -4.995 5.626 323 HG11 VAL 48 1HG1 VAL 48 -0.205 -6.100 4.568 324 HG12 VAL 48 2HG1 VAL 48 -0.338 -5.963 6.323 325 HG13 VAL 48 3HG1 VAL 48 -1.242 -4.864 5.280 326 HG21 VAL 48 1HG2 VAL 48 0.200 -3.093 3.877 327 HG22 VAL 48 2HG2 VAL 48 1.952 -3.234 4.023 328 HG23 VAL 48 3HG2 VAL 48 1.023 -4.533 3.276 329 H GLU 49 H GLU 49 -1.605 -3.660 7.604 330 HA GLU 49 HA GLU 49 -0.505 -5.137 9.906 331 HB2 GLU 49 1HB GLU 49 -2.501 -2.933 9.751 332 HB3 GLU 49 2HB GLU 49 -2.761 -4.184 10.959 333 HG2 GLU 49 1HG GLU 49 -0.109 -2.828 10.732 334 HG3 GLU 49 2HG GLU 49 -1.442 -2.060 11.593 335 H GLY 50 H GLY 50 -1.718 -6.864 10.736 336 HA2 GLY 50 1HA GLY 50 -4.259 -7.666 9.967 337 HA3 GLY 50 2HA GLY 50 -3.152 -8.362 8.793 338 HA PRO 51 HA PRO 51 -3.561 -11.297 12.369 339 HB2 PRO 51 1HB PRO 51 -3.976 -13.494 10.829 340 HB3 PRO 51 2HB PRO 51 -5.284 -12.428 11.356 341 HG2 PRO 51 1HG PRO 51 -3.855 -12.517 8.727 342 HG3 PRO 51 2HG PRO 51 -5.589 -12.337 9.052 343 HD2 PRO 51 1HD PRO 51 -3.997 -10.235 8.434 344 HD3 PRO 51 2HD PRO 51 -5.397 -10.087 9.516 345 H SER 52 H SER 52 -1.473 -10.715 9.816 346 HA SER 52 HA SER 52 0.638 -12.229 11.074 347 HB2 SER 52 1HB SER 52 1.212 -13.623 9.238 348 HB3 SER 52 2HB SER 52 -0.528 -13.819 9.450 349 HG SER 52 HG SER 52 -0.575 -11.991 7.808 350 H GLU 53 H GLU 53 2.714 -11.545 10.466 351 HA GLU 53 HA GLU 53 2.821 -8.852 9.485 352 HB2 GLU 53 1HB GLU 53 4.274 -9.794 11.323 353 HB3 GLU 53 2HB GLU 53 5.148 -10.680 10.082 354 HG2 GLU 53 1HG GLU 53 5.353 -8.270 9.017 355 HG3 GLU 53 2HG GLU 53 5.138 -7.781 10.697 356 H SER 54 H SER 54 2.733 -8.398 7.392 357 HA SER 54 HA SER 54 3.552 -10.333 5.403 358 HB2 SER 54 1HB SER 54 2.507 -7.514 5.041 359 HB3 SER 54 2HB SER 54 2.675 -8.731 3.776 360 HG SER 54 HG SER 54 1.147 -9.294 6.067 361 H LYS 55 H LYS 55 5.240 -10.133 3.966 362 HA LYS 55 HA LYS 55 7.485 -8.583 4.877 363 HB2 LYS 55 1HB LYS 55 7.016 -10.667 2.802 364 HB3 LYS 55 2HB LYS 55 8.409 -9.613 2.600 365 HG2 LYS 55 1HG LYS 55 8.851 -10.269 5.109 366 HG3 LYS 55 2HG LYS 55 7.865 -11.668 4.677 367 HD2 LYS 55 1HD LYS 55 10.069 -10.876 2.841 368 HD3 LYS 55 2HD LYS 55 10.491 -11.669 4.361 369 HE2 LYS 55 1HE LYS 55 8.328 -12.857 2.700 370 HE3 LYS 55 2HE LYS 55 9.995 -13.048 2.157 371 HZ1 LYS 55 1HZ LYS 55 10.311 -14.621 3.662 372 HZ2 LYS 55 2HZ LYS 55 8.672 -14.543 4.072 373 HZ3 LYS 55 3HZ LYS 55 9.801 -13.612 4.921 374 H ILE 56 H ILE 56 7.134 -6.426 4.553 375 HA ILE 56 HA ILE 56 6.262 -5.472 1.949 376 HB ILE 56 HB ILE 56 6.821 -4.093 4.563 377 HG12 ILE 56 1HG1 ILE 56 4.331 -4.093 2.856 378 HG13 ILE 56 2HG1 ILE 56 4.635 -5.300 4.101 379 HG21 ILE 56 1HG2 ILE 56 6.233 -2.807 1.900 380 HG22 ILE 56 2HG2 ILE 56 6.185 -1.978 3.455 381 HG23 ILE 56 3HG2 ILE 56 7.706 -2.637 2.854 382 HD11 ILE 56 1HD1 ILE 56 3.897 -2.452 4.353 383 HD12 ILE 56 2HD1 ILE 56 3.417 -3.845 5.323 384 HD13 ILE 56 3HD1 ILE 56 5.001 -3.108 5.561 385 H ASN 57 H ASN 57 7.478 -4.181 0.575 386 HA ASN 57 HA ASN 57 10.270 -3.668 1.228 387 HB2 ASN 57 1HB ASN 57 9.354 -5.471 -1.004 388 HB3 ASN 57 2HB ASN 57 10.899 -4.629 -1.079 389 HD21 ASN 57 1HD2 ASN 57 9.232 -7.322 0.079 390 HD22 ASN 57 2HD2 ASN 57 10.485 -7.979 1.072 391 H CYS 58 H CYS 58 10.558 -1.594 0.783 392 HA CYS 58 HA CYS 58 8.887 -0.248 -1.162 393 HB2 CYS 58 1HB CYS 58 10.001 1.801 -0.368 394 HB3 CYS 58 2HB CYS 58 9.346 0.858 0.965 395 HG CYS 58 HG CYS 58 12.596 0.370 0.159 396 H ARG 59 H ARG 59 9.605 0.804 -3.014 397 HA ARG 59 HA ARG 59 12.353 0.199 -3.871 398 HB2 ARG 59 1HB ARG 59 9.778 -0.414 -5.240 399 HB3 ARG 59 2HB ARG 59 11.140 0.081 -6.235 400 HG2 ARG 59 1HG ARG 59 12.379 -1.794 -5.710 401 HG3 ARG 59 2HG ARG 59 11.483 -2.093 -4.219 402 HD2 ARG 59 1HD ARG 59 9.595 -2.895 -5.413 403 HD3 ARG 59 2HD ARG 59 10.241 -2.322 -6.950 404 HE ARG 59 HE ARG 59 10.887 -4.778 -5.606 405 HH11 ARG 59 1HH1 ARG 59 11.982 -2.390 -7.890 406 HH12 ARG 59 2HH1 ARG 59 13.060 -3.475 -8.705 407 HH21 ARG 59 1HH2 ARG 59 12.302 -6.216 -6.671 408 HH22 ARG 59 2HH2 ARG 59 13.241 -5.650 -8.011 409 H ASP 60 H ASP 60 13.427 1.842 -4.807 410 HA ASP 60 HA ASP 60 12.106 4.426 -4.914 411 HB2 ASP 60 1HB ASP 60 14.303 4.279 -3.852 412 HB3 ASP 60 2HB ASP 60 15.001 3.660 -5.346 413 H ASN 61 H ASN 61 11.252 5.228 -6.706 414 HA ASN 61 HA ASN 61 12.179 4.177 -9.297 415 HB2 ASN 61 1HB ASN 61 9.515 5.497 -8.772 416 HB3 ASN 61 2HB ASN 61 9.995 4.555 -10.180 417 HD21 ASN 61 1HD2 ASN 61 7.983 4.406 -7.777 418 HD22 ASN 61 2HD2 ASN 61 8.037 2.729 -7.365 419 H LYS 62 H LYS 62 13.462 5.545 -10.331 420 HA LYS 62 HA LYS 62 13.370 8.388 -9.777 421 HB2 LYS 62 1HB LYS 62 15.455 6.827 -10.230 422 HB3 LYS 62 2HB LYS 62 15.104 7.216 -11.909 423 HG2 LYS 62 1HG LYS 62 15.283 9.444 -9.951 424 HG3 LYS 62 2HG LYS 62 16.772 8.660 -10.482 425 HD2 LYS 62 1HD LYS 62 15.784 9.002 -12.866 426 HD3 LYS 62 2HD LYS 62 14.773 10.215 -12.076 427 HE2 LYS 62 1HE LYS 62 16.605 11.448 -12.794 428 HE3 LYS 62 2HE LYS 62 16.994 11.105 -11.109 429 HZ1 LYS 62 1HZ LYS 62 18.199 10.023 -13.552 430 HZ2 LYS 62 2HZ LYS 62 18.161 9.041 -12.175 431 HZ3 LYS 62 3HZ LYS 62 18.942 10.541 -12.122 432 H ASP 63 H ASP 63 10.998 7.634 -10.892 433 HA ASP 63 HA ASP 63 11.169 8.771 -13.606 434 HB2 ASP 63 1HB ASP 63 9.604 6.456 -12.561 435 HB3 ASP 63 2HB ASP 63 8.869 7.458 -13.809 436 H GLY 64 H GLY 64 9.079 8.375 -10.755 437 HA2 GLY 64 1HA GLY 64 8.420 10.873 -10.138 438 HA3 GLY 64 2HA GLY 64 7.456 10.649 -11.591 439 H SER 65 H SER 65 8.182 8.328 -9.011 440 HA SER 65 HA SER 65 5.719 8.551 -7.668 441 HB2 SER 65 1HB SER 65 4.721 6.366 -8.463 442 HB3 SER 65 2HB SER 65 4.657 7.686 -9.631 443 HG SER 65 HG SER 65 5.434 5.514 -10.355 444 H CYS 66 H CYS 66 5.265 6.169 -6.606 445 HA CYS 66 HA CYS 66 7.861 5.087 -5.760 446 HB2 CYS 66 1HB CYS 66 5.708 6.263 -4.049 447 HB3 CYS 66 2HB CYS 66 6.653 4.919 -3.421 448 HG CYS 66 HG CYS 66 7.971 7.890 -4.497 449 H SER 67 H SER 67 7.871 2.921 -5.174 450 HA SER 67 HA SER 67 5.382 1.456 -5.768 451 HB2 SER 67 1HB SER 67 8.227 0.928 -6.525 452 HB3 SER 67 2HB SER 67 7.148 -0.445 -6.274 453 HG SER 67 HG SER 67 7.257 0.441 -8.472 454 H ALA 68 H ALA 68 4.698 -0.075 -4.359 455 HA ALA 68 HA ALA 68 6.450 -0.828 -2.132 456 HB1 ALA 68 1HB ALA 68 3.917 0.690 -1.949 457 HB2 ALA 68 2HB ALA 68 4.169 -0.590 -0.761 458 HB3 ALA 68 3HB ALA 68 5.340 0.721 -0.906 459 H GLU 69 H GLU 69 6.511 -2.966 -2.011 460 HA GLU 69 HA GLU 69 4.146 -4.493 -2.879 461 HB2 GLU 69 1HB GLU 69 5.713 -6.341 -3.385 462 HB3 GLU 69 2HB GLU 69 6.031 -4.899 -4.340 463 HG2 GLU 69 1HG GLU 69 7.528 -5.252 -1.803 464 HG3 GLU 69 2HG GLU 69 7.967 -6.259 -3.181 465 H TYR 70 H TYR 70 3.609 -6.402 -1.715 466 HA TYR 70 HA TYR 70 4.922 -6.879 0.831 467 HB2 TYR 70 1HB TYR 70 2.955 -6.569 2.181 468 HB3 TYR 70 2HB TYR 70 3.229 -5.089 1.267 469 HD1 TYR 70 2HD TYR 70 1.073 -8.040 1.637 470 HD2 TYR 70 1HD TYR 70 1.677 -4.372 -0.434 471 HE1 TYR 70 2HE TYR 70 -1.226 -8.156 0.772 472 HE2 TYR 70 1HE TYR 70 -0.621 -4.477 -1.303 473 HH TYR 70 HH TYR 70 -2.535 -5.598 -1.319 474 H ILE 71 H ILE 71 4.339 -8.880 1.800 475 HA ILE 71 HA ILE 71 2.630 -10.651 0.212 476 HB ILE 71 HB ILE 71 5.462 -11.323 1.018 477 HG12 ILE 71 1HG1 ILE 71 4.310 -11.357 -1.762 478 HG13 ILE 71 2HG1 ILE 71 4.982 -9.883 -1.073 479 HG21 ILE 71 1HG2 ILE 71 3.158 -12.997 0.450 480 HG22 ILE 71 2HG2 ILE 71 4.525 -13.343 -0.608 481 HG23 ILE 71 3HG2 ILE 71 4.723 -13.423 1.143 482 HD11 ILE 71 1HD1 ILE 71 6.616 -12.367 -1.031 483 HD12 ILE 71 2HD1 ILE 71 6.446 -11.468 -2.539 484 HD13 ILE 71 3HD1 ILE 71 7.124 -10.680 -1.114 485 HA PRO 72 HA PRO 72 1.453 -11.294 4.520 486 HB2 PRO 72 1HB PRO 72 -0.911 -12.486 3.920 487 HB3 PRO 72 2HB PRO 72 -0.688 -10.733 3.905 488 HG2 PRO 72 1HG PRO 72 -0.677 -12.664 1.617 489 HG3 PRO 72 2HG PRO 72 -1.437 -11.066 1.728 490 HD2 PRO 72 1HD PRO 72 0.921 -11.473 0.460 491 HD3 PRO 72 2HD PRO 72 0.539 -9.958 1.303 492 H PHE 73 H PHE 73 0.622 -13.297 5.679 493 HA PHE 73 HA PHE 73 1.735 -15.734 4.457 494 HB2 PHE 73 1HB PHE 73 2.033 -14.767 7.305 495 HB3 PHE 73 2HB PHE 73 2.434 -16.401 6.784 496 HD1 PHE 73 2HD PHE 73 4.088 -16.536 4.748 497 HD2 PHE 73 1HD PHE 73 3.686 -13.173 7.326 498 HE1 PHE 73 2HE PHE 73 6.340 -15.779 4.107 499 HE2 PHE 73 1HE PHE 73 5.936 -12.410 6.688 500 HZ PHE 73 HZ PHE 73 7.267 -13.714 5.077 501 H ALA 74 H ALA 74 -0.908 -14.221 5.883 502 HA ALA 74 HA ALA 74 -2.359 -16.751 5.969 503 HB1 ALA 74 1HB ALA 74 -2.925 -16.726 8.154 504 HB2 ALA 74 2HB ALA 74 -1.415 -15.827 8.309 505 HB3 ALA 74 3HB ALA 74 -2.952 -14.965 8.241 506 HA PRO 75 HA PRO 75 -5.445 -14.316 3.984 507 HB2 PRO 75 1HB PRO 75 -7.602 -15.897 4.451 508 HB3 PRO 75 2HB PRO 75 -6.346 -16.308 3.278 509 HG2 PRO 75 1HG PRO 75 -6.712 -17.288 6.083 510 HG3 PRO 75 2HG PRO 75 -6.277 -18.201 4.626 511 HD2 PRO 75 1HD PRO 75 -4.443 -17.424 6.461 512 HD3 PRO 75 2HD PRO 75 -4.066 -17.558 4.731 513 H GLY 76 H GLY 76 -6.998 -12.797 4.459 514 HA2 GLY 76 1HA GLY 76 -8.829 -12.599 6.415 515 HA3 GLY 76 2HA GLY 76 -7.352 -12.184 7.272 516 H ASP 77 H ASP 77 -8.645 -10.158 7.578 517 HA ASP 77 HA ASP 77 -8.666 -8.405 5.241 518 HB2 ASP 77 1HB ASP 77 -9.979 -6.884 6.583 519 HB3 ASP 77 2HB ASP 77 -10.653 -8.503 6.742 520 H TYR 78 H TYR 78 -6.894 -7.282 4.809 521 HA TYR 78 HA TYR 78 -5.143 -6.483 7.032 522 HB2 TYR 78 1HB TYR 78 -4.602 -6.958 4.105 523 HB3 TYR 78 2HB TYR 78 -3.457 -6.114 5.142 524 HD1 TYR 78 1HD TYR 78 -5.413 -9.296 5.028 525 HD2 TYR 78 2HD TYR 78 -1.818 -7.350 6.206 526 HE1 TYR 78 1HE TYR 78 -4.487 -11.457 5.750 527 HE2 TYR 78 2HE TYR 78 -0.882 -9.505 6.931 528 HH TYR 78 HH TYR 78 -1.613 -12.213 6.068 529 H ASP 79 H ASP 79 -4.291 -4.369 7.102 530 HA ASP 79 HA ASP 79 -5.775 -2.393 5.495 531 HB2 ASP 79 1HB ASP 79 -5.253 -2.505 8.434 532 HB3 ASP 79 2HB ASP 79 -5.311 -0.928 7.651 533 H VAL 80 H VAL 80 -4.414 -1.459 4.126 534 HA VAL 80 HA VAL 80 -1.583 -1.353 4.616 535 HB VAL 80 HB VAL 80 -3.149 -0.045 2.389 536 HG11 VAL 80 1HG1 VAL 80 -0.437 -0.918 1.826 537 HG12 VAL 80 2HG1 VAL 80 -1.205 0.644 1.539 538 HG13 VAL 80 3HG1 VAL 80 -0.503 0.281 3.116 539 HG21 VAL 80 1HG2 VAL 80 -3.652 -2.313 2.169 540 HG22 VAL 80 2HG2 VAL 80 -2.263 -2.090 1.106 541 HG23 VAL 80 3HG2 VAL 80 -2.047 -2.818 2.698 542 H ASN 81 H ASN 81 -0.802 0.076 6.026 543 HA ASN 81 HA ASN 81 -2.072 2.682 6.330 544 HB2 ASN 81 1HB ASN 81 0.132 1.308 7.879 545 HB3 ASN 81 2HB ASN 81 -0.446 2.933 8.232 546 HD21 ASN 81 1HD2 ASN 81 -1.451 -0.433 7.983 547 HD22 ASN 81 2HD2 ASN 81 -2.734 -0.324 9.134 548 H ILE 82 H ILE 82 -1.447 4.253 5.010 549 HA ILE 82 HA ILE 82 1.408 4.433 4.300 550 HB ILE 82 HB ILE 82 -0.874 5.448 2.609 551 HG12 ILE 82 1HG1 ILE 82 0.775 3.005 2.000 552 HG13 ILE 82 2HG1 ILE 82 -0.710 2.893 2.939 553 HG21 ILE 82 1HG2 ILE 82 0.860 6.628 1.782 554 HG22 ILE 82 2HG2 ILE 82 2.065 5.521 2.439 555 HG23 ILE 82 3HG2 ILE 82 1.220 5.118 0.945 556 HD11 ILE 82 1HD1 ILE 82 -1.643 4.269 0.862 557 HD12 ILE 82 2HD1 ILE 82 -0.316 3.425 0.063 558 HD13 ILE 82 3HD1 ILE 82 -1.574 2.507 0.891 559 H THR 83 H THR 83 2.402 6.165 5.069 560 HA THR 83 HA THR 83 0.851 8.631 5.482 561 HB THR 83 HB THR 83 2.296 9.055 7.518 562 HG1 THR 83 1HG THR 83 3.354 7.306 8.413 563 HG21 THR 83 1HG2 THR 83 0.035 8.512 7.922 564 HG22 THR 83 2HG2 THR 83 0.963 7.428 8.958 565 HG23 THR 83 3HG2 THR 83 0.272 6.830 7.450 566 H TYR 84 H TYR 84 1.847 10.502 4.909 567 HA TYR 84 HA TYR 84 4.511 10.239 3.695 568 HB2 TYR 84 1HB TYR 84 2.371 11.072 2.419 569 HB3 TYR 84 2HB TYR 84 2.727 12.597 3.221 570 HD1 TYR 84 1HD TYR 84 4.884 9.994 1.620 571 HD2 TYR 84 2HD TYR 84 3.673 14.072 1.722 572 HE1 TYR 84 1HE TYR 84 6.532 10.521 -0.128 573 HE2 TYR 84 2HE TYR 84 5.317 14.610 -0.027 574 HH TYR 84 HH TYR 84 7.470 13.652 -0.886 575 H GLY 85 H GLY 85 6.048 10.807 5.103 576 HA2 GLY 85 1HA GLY 85 7.345 12.263 6.347 577 HA3 GLY 85 2HA GLY 85 6.122 13.501 6.100 578 H GLY 86 H GLY 86 3.958 12.871 7.306 579 HA2 GLY 86 1HA GLY 86 4.217 11.436 9.754 580 HA3 GLY 86 2HA GLY 86 4.394 13.164 10.020 581 H ALA 87 H ALA 87 2.346 12.021 7.466 582 HA ALA 87 HA ALA 87 -0.039 12.433 9.129 583 HB1 ALA 87 1HB ALA 87 -0.231 14.462 8.176 584 HB2 ALA 87 2HB ALA 87 0.826 14.045 6.826 585 HB3 ALA 87 3HB ALA 87 -0.865 13.546 6.809 586 H HIS 88 H HIS 88 -2.053 11.706 7.978 587 HA HIS 88 HA HIS 88 -1.465 9.224 6.525 588 HB2 HIS 88 1HB HIS 88 -3.678 10.097 8.335 589 HB3 HIS 88 2HB HIS 88 -4.013 8.863 7.125 590 HD1 HIS 88 1HD HIS 88 -2.904 6.555 7.446 591 HD2 HIS 88 2HD HIS 88 -2.016 9.292 10.443 592 HE1 HIS 88 1HE HIS 88 -1.858 5.211 9.296 593 HE2 HIS 88 2HE HIS 88 -1.407 6.875 11.132 594 H ILE 89 H ILE 89 -1.960 9.032 4.442 595 HA ILE 89 HA ILE 89 -3.055 11.209 2.979 596 HB ILE 89 HB ILE 89 -2.861 9.807 1.020 597 HG12 ILE 89 1HG1 ILE 89 -2.067 7.501 2.791 598 HG13 ILE 89 2HG1 ILE 89 -3.731 7.740 2.269 599 HG21 ILE 89 1HG2 ILE 89 -0.783 10.670 1.458 600 HG22 ILE 89 2HG2 ILE 89 -0.635 9.823 2.997 601 HG23 ILE 89 3HG2 ILE 89 -0.425 8.943 1.484 602 HD11 ILE 89 1HD1 ILE 89 -2.376 6.132 0.906 603 HD12 ILE 89 2HD1 ILE 89 -3.152 7.429 -0.002 604 HD13 ILE 89 3HD1 ILE 89 -1.427 7.513 0.356 605 HA PRO 90 HA PRO 90 -7.363 10.351 3.079 606 HB2 PRO 90 1HB PRO 90 -8.113 11.320 0.657 607 HB3 PRO 90 2HB PRO 90 -7.654 12.362 2.008 608 HG2 PRO 90 1HG PRO 90 -6.028 11.491 -0.349 609 HG3 PRO 90 2HG PRO 90 -6.142 13.094 0.400 610 HD2 PRO 90 1HD PRO 90 -4.076 11.409 0.872 611 HD3 PRO 90 2HD PRO 90 -4.681 12.544 2.096 612 H GLY 91 H GLY 91 -7.091 8.014 3.043 613 HA2 GLY 91 1HA GLY 91 -8.625 6.631 1.303 614 HA3 GLY 91 2HA GLY 91 -7.069 6.662 0.486 615 H SER 92 H SER 92 -5.894 6.698 3.356 616 HA SER 92 HA SER 92 -5.938 3.775 3.649 617 HB2 SER 92 1HB SER 92 -3.706 4.227 3.429 618 HB3 SER 92 2HB SER 92 -3.866 5.864 4.064 619 HG SER 92 HG SER 92 -3.678 5.126 6.073 620 HA PRO 93 HA PRO 93 -4.842 2.467 5.297 621 HB2 PRO 93 1HB PRO 93 -6.196 0.439 6.490 622 HB3 PRO 93 2HB PRO 93 -4.982 1.410 7.332 623 HG2 PRO 93 1HG PRO 93 -7.966 1.639 7.393 624 HG3 PRO 93 2HG PRO 93 -6.809 1.742 8.732 625 HD2 PRO 93 1HD PRO 93 -7.908 3.935 7.586 626 HD3 PRO 93 2HD PRO 93 -6.267 3.932 8.262 627 H PHE 94 H PHE 94 -5.190 0.802 3.768 628 HA PHE 94 HA PHE 94 -7.779 1.000 2.387 629 HB2 PHE 94 1HB PHE 94 -5.040 0.226 1.369 630 HB3 PHE 94 2HB PHE 94 -6.511 0.098 0.411 631 HD1 PHE 94 2HD PHE 94 -4.320 2.491 2.189 632 HD2 PHE 94 1HD PHE 94 -7.388 1.956 -0.714 633 HE1 PHE 94 2HE PHE 94 -4.063 4.836 1.490 634 HE2 PHE 94 1HE PHE 94 -7.135 4.300 -1.418 635 HZ PHE 94 HZ PHE 94 -5.472 5.744 -0.314 636 H ARG 95 H ARG 95 -9.113 -0.630 2.776 637 HA ARG 95 HA ARG 95 -8.321 -3.088 3.924 638 HB2 ARG 95 1HB ARG 95 -10.549 -2.267 4.301 639 HB3 ARG 95 2HB ARG 95 -10.885 -2.242 2.575 640 HG2 ARG 95 1HG ARG 95 -11.992 -4.133 3.406 641 HG3 ARG 95 2HG ARG 95 -10.542 -4.751 2.614 642 HD2 ARG 95 1HD ARG 95 -10.865 -5.873 4.733 643 HD3 ARG 95 2HD ARG 95 -9.422 -4.863 4.803 644 HE ARG 95 HE ARG 95 -10.442 -3.560 6.396 645 HH11 ARG 95 1HH1 ARG 95 -12.794 -5.662 4.925 646 HH12 ARG 95 2HH1 ARG 95 -14.038 -5.290 6.072 647 HH21 ARG 95 1HH2 ARG 95 -12.071 -3.061 7.913 648 HH22 ARG 95 2HH2 ARG 95 -13.625 -3.809 7.771 649 H VAL 96 H VAL 96 -7.620 -4.921 3.033 650 HA VAL 96 HA VAL 96 -8.120 -5.418 0.186 651 HB VAL 96 HB VAL 96 -5.401 -5.676 1.477 652 HG11 VAL 96 1HG1 VAL 96 -4.776 -6.045 -1.001 653 HG12 VAL 96 2HG1 VAL 96 -5.484 -7.384 -0.096 654 HG13 VAL 96 3HG1 VAL 96 -6.481 -6.445 -1.208 655 HG21 VAL 96 1HG2 VAL 96 -6.163 -3.830 -0.768 656 HG22 VAL 96 2HG2 VAL 96 -6.244 -3.337 0.924 657 HG23 VAL 96 3HG2 VAL 96 -4.701 -3.816 0.218 658 HA PRO 97 HA PRO 97 -9.211 -9.276 2.214 659 HB2 PRO 97 1HB PRO 97 -10.409 -10.353 0.028 660 HB3 PRO 97 2HB PRO 97 -11.201 -9.165 1.071 661 HG2 PRO 97 1HG PRO 97 -9.822 -8.759 -1.554 662 HG3 PRO 97 2HG PRO 97 -11.350 -8.071 -0.975 663 HD2 PRO 97 1HD PRO 97 -9.025 -6.682 -0.954 664 HD3 PRO 97 2HD PRO 97 -10.291 -6.445 0.268 665 H VAL 98 H VAL 98 -7.525 -10.600 2.535 666 HA VAL 98 HA VAL 98 -5.900 -11.466 0.263 667 HB VAL 98 HB VAL 98 -5.484 -11.830 3.233 668 HG11 VAL 98 1HG1 VAL 98 -3.151 -12.271 1.607 669 HG12 VAL 98 2HG1 VAL 98 -3.893 -13.325 2.812 670 HG13 VAL 98 3HG1 VAL 98 -4.450 -13.368 1.138 671 HG21 VAL 98 1HG2 VAL 98 -4.846 -9.682 3.030 672 HG22 VAL 98 2HG2 VAL 98 -3.386 -10.373 2.323 673 HG23 VAL 98 3HG2 VAL 98 -4.680 -9.788 1.278 674 H LYS 99 H LYS 99 -6.709 -13.173 -0.780 675 HA LYS 99 HA LYS 99 -7.967 -15.328 0.764 676 HB2 LYS 99 1HB LYS 99 -7.947 -15.060 -2.238 677 HB3 LYS 99 2HB LYS 99 -9.032 -16.021 -1.242 678 HG2 LYS 99 1HG LYS 99 -10.335 -14.235 -0.690 679 HG3 LYS 99 2HG LYS 99 -9.009 -13.080 -0.837 680 HD2 LYS 99 1HD LYS 99 -9.085 -13.391 -3.301 681 HD3 LYS 99 2HD LYS 99 -10.500 -14.425 -3.090 682 HE2 LYS 99 1HE LYS 99 -11.447 -12.366 -3.569 683 HE3 LYS 99 2HE LYS 99 -11.481 -12.401 -1.806 684 HZ1 LYS 99 1HZ LYS 99 -9.232 -11.171 -3.274 685 HZ2 LYS 99 2HZ LYS 99 -9.707 -10.924 -1.670 686 HZ3 LYS 99 3HZ LYS 99 -10.641 -10.297 -2.933 687 H ASP 100 H ASP 100 -7.513 -17.568 0.066 688 HA ASP 100 HA ASP 100 -4.641 -17.894 -0.392 689 HB2 ASP 100 1HB ASP 100 -6.588 -20.053 0.410 690 HB3 ASP 100 2HB ASP 100 -4.836 -20.046 0.598 691 H VAL 101 H VAL 101 -3.838 -18.690 -2.227 692 HA VAL 101 HA VAL 101 -5.218 -18.912 -4.578 693 HB VAL 101 HB VAL 101 -2.755 -20.490 -3.820 694 HG11 VAL 101 1HG1 VAL 101 -2.873 -19.738 -6.574 695 HG12 VAL 101 2HG1 VAL 101 -2.769 -21.351 -5.866 696 HG13 VAL 101 3HG1 VAL 101 -4.345 -20.609 -6.144 697 HG21 VAL 101 1HG2 VAL 101 -2.945 -17.836 -5.236 698 HG22 VAL 101 2HG2 VAL 101 -2.594 -18.018 -3.518 699 HG23 VAL 101 3HG2 VAL 101 -1.480 -18.671 -4.719 700 H VAL 102 H VAL 102 -4.329 -21.603 -2.420 701 HA VAL 102 HA VAL 102 -6.336 -23.263 -3.798 702 HB VAL 102 HB VAL 102 -3.954 -24.159 -2.168 703 HG11 VAL 102 1HG1 VAL 102 -4.703 -26.275 -2.263 704 HG12 VAL 102 2HG1 VAL 102 -6.281 -25.521 -2.498 705 HG13 VAL 102 3HG1 VAL 102 -5.353 -26.080 -3.891 706 HG21 VAL 102 1HG2 VAL 102 -4.185 -24.858 -5.021 707 HG22 VAL 102 2HG2 VAL 102 -3.858 -23.161 -4.672 708 HG23 VAL 102 3HG2 VAL 102 -2.768 -24.411 -4.072 709 H ASP 103 H ASP 103 -8.024 -24.046 -2.687 710 HA ASP 103 HA ASP 103 -8.185 -23.387 0.169 711 HB2 ASP 103 1HB ASP 103 -10.489 -23.218 -0.053 712 HB3 ASP 103 2HB ASP 103 -9.936 -22.648 -1.625 713 HA PRO 104 HA PRO 104 -7.910 -27.617 1.342 714 HB2 PRO 104 1HB PRO 104 -9.238 -27.510 3.707 715 HB3 PRO 104 2HB PRO 104 -7.613 -26.850 3.487 716 HG2 PRO 104 1HG PRO 104 -10.250 -25.433 3.485 717 HG3 PRO 104 2HG PRO 104 -8.723 -24.953 4.247 718 HD2 PRO 104 1HD PRO 104 -9.569 -23.910 1.895 719 HD3 PRO 104 2HD PRO 104 -7.850 -24.139 2.275 720 H SER 105 H SER 105 -9.041 -29.127 0.291 721 HA SER 105 HA SER 105 -11.897 -29.400 0.886 722 HB2 SER 105 1HB SER 105 -10.706 -29.425 -1.898 723 HB3 SER 105 2HB SER 105 -12.361 -29.897 -1.510 724 HG SER 105 HG SER 105 -12.265 -27.627 -0.441 Start of MODEL 12 1 H1 GLY 1 H GLY 1 6.748 39.922 -1.582 2 HA2 GLY 1 1HA GLY 1 6.955 41.780 0.654 3 HA3 GLY 1 2HA GLY 1 5.608 40.652 0.706 4 H SER 2 H SER 2 6.182 39.355 2.364 5 HA SER 2 HA SER 2 8.890 38.298 2.512 6 HB2 SER 2 1HB SER 2 7.362 39.099 4.499 7 HB3 SER 2 2HB SER 2 6.702 37.468 4.383 8 HG SER 2 HG SER 2 8.756 38.073 5.731 9 H SER 3 H SER 3 9.295 36.671 1.152 10 HA SER 3 HA SER 3 7.234 34.712 0.537 11 HB2 SER 3 1HB SER 3 10.055 35.032 -0.514 12 HB3 SER 3 2HB SER 3 8.897 33.831 -1.086 13 HG SER 3 HG SER 3 7.555 35.537 -1.757 14 H GLY 4 H GLY 4 8.027 34.652 3.207 15 HA2 GLY 4 1HA GLY 4 9.814 32.329 3.411 16 HA3 GLY 4 2HA GLY 4 9.350 33.385 4.737 17 H SER 5 H SER 5 8.535 30.591 2.879 18 HA SER 5 HA SER 5 5.996 30.244 4.280 19 HB2 SER 5 1HB SER 5 7.314 28.814 1.978 20 HB3 SER 5 2HB SER 5 5.913 28.132 2.804 21 HG SER 5 HG SER 5 4.844 29.349 1.459 22 H SER 6 H SER 6 5.508 28.226 5.365 23 HA SER 6 HA SER 6 7.885 27.115 6.698 24 HB2 SER 6 1HB SER 6 5.026 27.118 7.691 25 HB3 SER 6 2HB SER 6 6.455 26.615 8.593 26 HG SER 6 HG SER 6 6.177 29.223 7.537 27 H GLY 7 H GLY 7 8.222 24.938 6.783 28 HA2 GLY 7 1HA GLY 7 7.492 23.253 4.800 29 HA3 GLY 7 2HA GLY 7 7.863 22.681 6.420 30 H GLY 8 H GLY 8 5.948 21.661 4.417 31 HA2 GLY 8 1HA GLY 8 3.879 20.881 6.090 32 HA3 GLY 8 2HA GLY 8 3.305 22.307 5.238 33 H CYS 9 H CYS 9 4.772 19.121 4.674 34 HA CYS 9 HA CYS 9 4.305 18.923 1.948 35 HB2 CYS 9 1HB CYS 9 4.070 16.606 3.868 36 HB3 CYS 9 2HB CYS 9 4.588 16.564 2.187 37 HG CYS 9 HG CYS 9 6.892 18.252 2.911 38 H GLN 10 H GLN 10 2.677 17.758 0.759 39 HA GLN 10 HA GLN 10 0.018 18.050 1.976 40 HB2 GLN 10 1HB GLN 10 0.992 18.200 -0.863 41 HB3 GLN 10 2HB GLN 10 -0.706 17.914 -0.504 42 HG2 GLN 10 1HG GLN 10 0.795 20.251 0.629 43 HG3 GLN 10 2HG GLN 10 0.007 20.308 -0.947 44 HE21 GLN 10 1HE2 GLN 10 -2.188 20.450 -1.068 45 HE22 GLN 10 2HE2 GLN 10 -3.207 20.680 0.308 46 HA PRO 11 HA PRO 11 0.408 13.509 1.851 47 HB2 PRO 11 1HB PRO 11 -1.369 13.099 3.862 48 HB3 PRO 11 2HB PRO 11 0.331 13.490 4.148 49 HG2 PRO 11 1HG PRO 11 -2.063 15.286 4.212 50 HG3 PRO 11 2HG PRO 11 -0.687 15.217 5.327 51 HD2 PRO 11 1HD PRO 11 -0.889 17.085 3.377 52 HD3 PRO 11 2HD PRO 11 0.672 16.442 3.926 53 H SER 12 H SER 12 -1.943 15.690 0.977 54 HA SER 12 HA SER 12 -3.987 13.664 0.445 55 HB2 SER 12 1HB SER 12 -4.137 16.650 -0.021 56 HB3 SER 12 2HB SER 12 -5.477 15.504 -0.045 57 HG SER 12 HG SER 12 -3.891 16.248 2.186 58 H ARG 13 H ARG 13 -1.513 15.469 -1.111 59 HA ARG 13 HA ARG 13 -2.562 15.339 -3.765 60 HB2 ARG 13 1HB ARG 13 0.260 15.780 -2.773 61 HB3 ARG 13 2HB ARG 13 -0.256 15.970 -4.443 62 HG2 ARG 13 1HG ARG 13 -1.702 17.499 -2.347 63 HG3 ARG 13 2HG ARG 13 -0.079 18.022 -2.804 64 HD2 ARG 13 1HD ARG 13 -2.264 17.509 -4.809 65 HD3 ARG 13 2HD ARG 13 -1.996 19.085 -4.067 66 HE ARG 13 HE ARG 13 0.438 18.283 -5.102 67 HH11 ARG 13 1HH1 ARG 13 -2.753 18.978 -6.307 68 HH12 ARG 13 2HH1 ARG 13 -2.193 19.513 -7.857 69 HH21 ARG 13 1HH2 ARG 13 1.188 18.985 -7.139 70 HH22 ARG 13 2HH2 ARG 13 0.048 19.515 -8.330 71 H VAL 14 H VAL 14 -1.132 13.067 -1.699 72 HA VAL 14 HA VAL 14 0.056 11.435 -3.765 73 HB VAL 14 HB VAL 14 -0.530 10.618 -0.921 74 HG11 VAL 14 1HG1 VAL 14 0.711 8.783 -1.308 75 HG12 VAL 14 2HG1 VAL 14 0.336 9.107 -3.002 76 HG13 VAL 14 3HG1 VAL 14 1.867 9.653 -2.316 77 HG21 VAL 14 1HG2 VAL 14 0.736 12.733 -0.970 78 HG22 VAL 14 2HG2 VAL 14 1.686 11.394 -0.325 79 HG23 VAL 14 3HG2 VAL 14 1.960 11.956 -1.975 80 H GLN 15 H GLN 15 -0.716 9.492 -4.554 81 HA GLN 15 HA GLN 15 -3.445 8.722 -3.791 82 HB2 GLN 15 1HB GLN 15 -4.250 8.714 -5.958 83 HB3 GLN 15 2HB GLN 15 -3.209 10.131 -5.978 84 HG2 GLN 15 1HG GLN 15 -1.420 8.367 -6.783 85 HG3 GLN 15 2HG GLN 15 -2.864 7.498 -7.300 86 HE21 GLN 15 1HE2 GLN 15 -3.182 7.797 -9.378 87 HE22 GLN 15 2HE2 GLN 15 -3.010 9.287 -10.235 88 H ALA 16 H ALA 16 -3.978 6.524 -4.168 89 HA ALA 16 HA ALA 16 -1.727 4.764 -4.850 90 HB1 ALA 16 1HB ALA 16 -2.156 5.100 -2.312 91 HB2 ALA 16 2HB ALA 16 -3.535 4.034 -2.585 92 HB3 ALA 16 3HB ALA 16 -1.902 3.472 -2.942 93 H GLN 17 H GLN 17 -2.290 3.389 -6.394 94 HA GLN 17 HA GLN 17 -4.947 2.199 -6.398 95 HB2 GLN 17 1HB GLN 17 -5.335 2.728 -8.761 96 HB3 GLN 17 2HB GLN 17 -5.224 4.188 -7.787 97 HG2 GLN 17 1HG GLN 17 -3.184 4.791 -8.681 98 HG3 GLN 17 2HG GLN 17 -2.805 3.146 -9.189 99 HE21 GLN 17 1HE2 GLN 17 -3.441 6.061 -10.358 100 HE22 GLN 17 2HE2 GLN 17 -4.237 5.656 -11.837 101 H GLY 18 H GLY 18 -4.980 0.147 -7.188 102 HA2 GLY 18 1HA GLY 18 -3.516 -1.095 -9.081 103 HA3 GLY 18 2HA GLY 18 -2.411 -1.078 -7.714 104 HA PRO 19 HA PRO 19 -5.107 -4.887 -7.522 105 HB2 PRO 19 1HB PRO 19 -3.053 -6.654 -7.349 106 HB3 PRO 19 2HB PRO 19 -3.718 -6.102 -8.891 107 HG2 PRO 19 1HG PRO 19 -1.266 -5.175 -7.444 108 HG3 PRO 19 2HG PRO 19 -1.488 -5.504 -9.172 109 HD2 PRO 19 1HD PRO 19 -1.525 -2.997 -8.149 110 HD3 PRO 19 2HD PRO 19 -2.497 -3.467 -9.558 111 H GLY 20 H GLY 20 -2.022 -4.312 -5.819 112 HA2 GLY 20 1HA GLY 20 -2.528 -5.794 -3.529 113 HA3 GLY 20 2HA GLY 20 -1.501 -4.369 -3.584 114 H LEU 21 H LEU 21 -4.072 -2.929 -4.564 115 HA LEU 21 HA LEU 21 -5.024 -2.328 -1.857 116 HB2 LEU 21 1HB LEU 21 -5.346 -0.771 -4.418 117 HB3 LEU 21 2HB LEU 21 -5.888 -0.253 -2.823 118 HG LEU 21 HG LEU 21 -3.007 -0.701 -3.599 119 HD11 LEU 21 1HD1 LEU 21 -3.161 1.925 -3.172 120 HD12 LEU 21 2HD1 LEU 21 -4.791 1.652 -3.786 121 HD13 LEU 21 3HD1 LEU 21 -3.394 1.203 -4.764 122 HD21 LEU 21 1HD2 LEU 21 -3.334 -1.026 -1.246 123 HD22 LEU 21 2HD2 LEU 21 -4.310 0.438 -1.131 124 HD23 LEU 21 3HD2 LEU 21 -2.586 0.552 -1.492 125 H LYS 22 H LYS 22 -6.063 -3.469 -4.982 126 HA LYS 22 HA LYS 22 -8.875 -3.314 -4.343 127 HB2 LYS 22 1HB LYS 22 -7.282 -4.337 -6.669 128 HB3 LYS 22 2HB LYS 22 -8.979 -4.768 -6.510 129 HG2 LYS 22 1HG LYS 22 -9.434 -2.274 -6.322 130 HG3 LYS 22 2HG LYS 22 -7.774 -2.045 -6.877 131 HD2 LYS 22 1HD LYS 22 -8.456 -3.636 -8.803 132 HD3 LYS 22 2HD LYS 22 -10.109 -3.239 -8.328 133 HE2 LYS 22 1HE LYS 22 -9.912 -1.047 -8.979 134 HE3 LYS 22 2HE LYS 22 -8.167 -1.019 -8.735 135 HZ1 LYS 22 1HZ LYS 22 -8.654 -0.942 -11.068 136 HZ2 LYS 22 2HZ LYS 22 -9.614 -2.331 -10.971 137 HZ3 LYS 22 3HZ LYS 22 -7.945 -2.437 -10.715 138 H GLU 23 H GLU 23 -6.555 -5.960 -4.924 139 HA GLU 23 HA GLU 23 -7.767 -7.556 -2.860 140 HB2 GLU 23 1HB GLU 23 -8.567 -9.349 -4.179 141 HB3 GLU 23 2HB GLU 23 -9.224 -7.892 -4.910 142 HG2 GLU 23 1HG GLU 23 -6.726 -9.234 -5.899 143 HG3 GLU 23 2HG GLU 23 -8.337 -9.628 -6.497 144 H ALA 24 H ALA 24 -6.412 -9.141 -2.109 145 HA ALA 24 HA ALA 24 -3.893 -9.559 -3.574 146 HB1 ALA 24 1HB ALA 24 -3.354 -7.997 -1.855 147 HB2 ALA 24 2HB ALA 24 -4.209 -8.950 -0.641 148 HB3 ALA 24 3HB ALA 24 -2.724 -9.569 -1.363 149 H PHE 25 H PHE 25 -2.630 -11.382 -2.175 150 HA PHE 25 HA PHE 25 -4.496 -13.504 -1.430 151 HB2 PHE 25 1HB PHE 25 -2.694 -13.517 -3.797 152 HB3 PHE 25 2HB PHE 25 -2.821 -15.010 -2.872 153 HD1 PHE 25 2HD PHE 25 -4.970 -12.405 -4.445 154 HD2 PHE 25 1HD PHE 25 -4.500 -16.499 -3.380 155 HE1 PHE 25 2HE PHE 25 -7.065 -12.946 -5.616 156 HE2 PHE 25 1HE PHE 25 -6.594 -17.047 -4.551 157 HZ PHE 25 HZ PHE 25 -7.880 -15.269 -5.669 158 H THR 26 H THR 26 -3.268 -15.450 -0.574 159 HA THR 26 HA THR 26 -1.353 -14.505 1.364 160 HB THR 26 HB THR 26 -1.388 -16.905 2.150 161 HG1 THR 26 1HG THR 26 -2.458 -18.345 1.014 162 HG21 THR 26 1HG2 THR 26 -2.895 -15.979 3.513 163 HG22 THR 26 2HG2 THR 26 -4.142 -16.554 2.405 164 HG23 THR 26 3HG2 THR 26 -3.492 -14.923 2.234 165 H ASN 27 H ASN 27 0.798 -14.728 1.310 166 HA ASN 27 HA ASN 27 2.892 -15.230 0.579 167 HB2 ASN 27 1HB ASN 27 1.492 -17.763 -0.298 168 HB3 ASN 27 2HB ASN 27 3.238 -17.536 -0.358 169 HD21 ASN 27 1HD2 ASN 27 0.574 -17.077 1.945 170 HD22 ASN 27 2HD2 ASN 27 1.403 -17.761 3.298 171 H LYS 28 H LYS 28 1.000 -13.801 -1.162 172 HA LYS 28 HA LYS 28 2.275 -14.382 -3.755 173 HB2 LYS 28 1HB LYS 28 -0.552 -13.614 -3.103 174 HB3 LYS 28 2HB LYS 28 0.134 -13.212 -4.672 175 HG2 LYS 28 1HG LYS 28 0.787 -15.775 -4.637 176 HG3 LYS 28 2HG LYS 28 -0.588 -15.853 -3.533 177 HD2 LYS 28 1HD LYS 28 -1.914 -14.611 -5.281 178 HD3 LYS 28 2HD LYS 28 -0.555 -14.865 -6.379 179 HE2 LYS 28 1HE LYS 28 -1.978 -17.098 -4.943 180 HE3 LYS 28 2HE LYS 28 -2.422 -16.543 -6.556 181 HZ1 LYS 28 1HZ LYS 28 0.133 -16.934 -6.961 182 HZ2 LYS 28 2HZ LYS 28 -0.985 -18.196 -7.096 183 HZ3 LYS 28 3HZ LYS 28 -0.061 -18.032 -5.688 184 HA PRO 29 HA PRO 29 3.871 -10.283 -3.620 185 HB2 PRO 29 1HB PRO 29 4.250 -9.872 -6.276 186 HB3 PRO 29 2HB PRO 29 5.282 -10.935 -5.312 187 HG2 PRO 29 1HG PRO 29 3.002 -11.639 -7.119 188 HG3 PRO 29 2HG PRO 29 4.580 -12.429 -6.950 189 HD2 PRO 29 1HD PRO 29 2.334 -13.400 -5.792 190 HD3 PRO 29 2HD PRO 29 3.941 -13.583 -5.060 191 H ASN 30 H ASN 30 2.567 -8.637 -3.101 192 HA ASN 30 HA ASN 30 0.526 -7.810 -5.060 193 HB2 ASN 30 1HB ASN 30 0.282 -7.172 -2.139 194 HB3 ASN 30 2HB ASN 30 -0.982 -7.291 -3.360 195 HD21 ASN 30 1HD2 ASN 30 0.846 -8.935 -0.993 196 HD22 ASN 30 2HD2 ASN 30 0.111 -10.489 -1.175 197 H VAL 31 H VAL 31 1.063 -5.972 -6.017 198 HA VAL 31 HA VAL 31 2.424 -3.898 -4.424 199 HB VAL 31 HB VAL 31 3.805 -3.278 -6.224 200 HG11 VAL 31 1HG1 VAL 31 5.114 -5.221 -6.651 201 HG12 VAL 31 2HG1 VAL 31 4.414 -5.406 -5.041 202 HG13 VAL 31 3HG1 VAL 31 3.727 -6.283 -6.409 203 HG21 VAL 31 1HG2 VAL 31 3.608 -4.245 -8.482 204 HG22 VAL 31 2HG2 VAL 31 2.163 -5.115 -7.967 205 HG23 VAL 31 3HG2 VAL 31 2.164 -3.352 -8.006 206 H PHE 32 H PHE 32 2.181 -1.688 -5.406 207 HA PHE 32 HA PHE 32 -0.178 -1.289 -7.044 208 HB2 PHE 32 1HB PHE 32 -1.034 0.401 -5.274 209 HB3 PHE 32 2HB PHE 32 -1.359 -1.312 -5.028 210 HD1 PHE 32 2HD PHE 32 -0.079 -2.585 -3.354 211 HD2 PHE 32 1HD PHE 32 0.367 1.625 -3.796 212 HE1 PHE 32 2HE PHE 32 0.995 -2.471 -1.144 213 HE2 PHE 32 1HE PHE 32 1.443 1.746 -1.586 214 HZ PHE 32 HZ PHE 32 1.757 -0.303 -0.257 215 H THR 33 H THR 33 -0.489 1.020 -7.598 216 HA THR 33 HA THR 33 2.113 2.293 -7.948 217 HB THR 33 HB THR 33 -0.499 3.203 -9.149 218 HG1 THR 33 1HG THR 33 0.105 1.904 -10.956 219 HG21 THR 33 1HG2 THR 33 2.172 4.170 -9.230 220 HG22 THR 33 2HG2 THR 33 0.758 4.783 -10.088 221 HG23 THR 33 3HG2 THR 33 1.771 3.544 -10.829 222 H VAL 34 H VAL 34 2.706 4.162 -7.012 223 HA VAL 34 HA VAL 34 0.674 5.657 -5.491 224 HB VAL 34 HB VAL 34 3.517 5.231 -4.569 225 HG11 VAL 34 1HG1 VAL 34 3.027 6.987 -3.284 226 HG12 VAL 34 2HG1 VAL 34 1.317 6.927 -3.716 227 HG13 VAL 34 3HG1 VAL 34 1.934 5.911 -2.413 228 HG21 VAL 34 1HG2 VAL 34 2.438 3.103 -4.458 229 HG22 VAL 34 2HG2 VAL 34 2.481 3.766 -2.825 230 HG23 VAL 34 3HG2 VAL 34 0.985 3.814 -3.757 231 H VAL 35 H VAL 35 0.442 7.414 -6.768 232 HA VAL 35 HA VAL 35 2.724 8.695 -8.000 233 HB VAL 35 HB VAL 35 -0.187 9.503 -7.941 234 HG11 VAL 35 1HG1 VAL 35 2.036 10.581 -9.670 235 HG12 VAL 35 2HG1 VAL 35 0.348 11.098 -9.663 236 HG13 VAL 35 3HG1 VAL 35 1.371 11.405 -8.259 237 HG21 VAL 35 1HG2 VAL 35 1.419 7.728 -9.662 238 HG22 VAL 35 2HG2 VAL 35 -0.309 7.711 -9.311 239 HG23 VAL 35 3HG2 VAL 35 0.337 8.841 -10.500 240 H THR 36 H THR 36 4.015 9.888 -6.760 241 HA THR 36 HA THR 36 2.771 11.733 -4.825 242 HB THR 36 HB THR 36 4.583 11.484 -3.328 243 HG1 THR 36 1HG THR 36 6.363 11.427 -4.631 244 HG21 THR 36 1HG2 THR 36 4.658 8.652 -3.941 245 HG22 THR 36 2HG2 THR 36 3.022 9.301 -4.055 246 HG23 THR 36 3HG2 THR 36 3.942 9.486 -2.562 247 H ARG 37 H ARG 37 3.129 12.473 -7.474 248 HA ARG 37 HA ARG 37 5.608 13.932 -7.732 249 HB2 ARG 37 1HB ARG 37 4.799 14.598 -9.894 250 HB3 ARG 37 2HB ARG 37 4.437 12.891 -9.676 251 HG2 ARG 37 1HG ARG 37 2.130 13.809 -8.834 252 HG3 ARG 37 2HG ARG 37 2.595 15.223 -9.783 253 HD2 ARG 37 1HD ARG 37 2.738 13.950 -11.775 254 HD3 ARG 37 2HD ARG 37 2.651 12.427 -10.891 255 HE ARG 37 HE ARG 37 0.320 13.959 -10.434 256 HH11 ARG 37 1HH1 ARG 37 1.892 12.036 -12.873 257 HH12 ARG 37 2HH1 ARG 37 0.412 11.573 -13.647 258 HH21 ARG 37 1HH2 ARG 37 -1.634 13.357 -11.444 259 HH22 ARG 37 2HH2 ARG 37 -1.593 12.326 -12.833 260 H GLY 38 H GLY 38 5.824 15.628 -6.388 261 HA2 GLY 38 1HA GLY 38 5.511 17.890 -5.880 262 HA3 GLY 38 2HA GLY 38 3.956 17.836 -6.697 263 H ALA 39 H ALA 39 4.351 15.259 -4.556 264 HA ALA 39 HA ALA 39 2.235 16.078 -2.889 265 HB1 ALA 39 1HB ALA 39 2.277 13.935 -2.320 266 HB2 ALA 39 2HB ALA 39 3.736 13.736 -3.293 267 HB3 ALA 39 3HB ALA 39 3.866 14.125 -1.578 268 H GLY 40 H GLY 40 5.747 15.947 -2.310 269 HA2 GLY 40 1HA GLY 40 6.029 18.270 -0.902 270 HA3 GLY 40 2HA GLY 40 5.512 17.107 0.309 271 H ILE 41 H ILE 41 7.785 18.026 0.978 272 HA ILE 41 HA ILE 41 9.843 16.214 -0.102 273 HB ILE 41 HB ILE 41 10.261 18.838 1.335 274 HG12 ILE 41 1HG1 ILE 41 10.827 18.241 -1.566 275 HG13 ILE 41 2HG1 ILE 41 9.288 18.906 -1.031 276 HG21 ILE 41 1HG2 ILE 41 12.514 17.877 -0.159 277 HG22 ILE 41 2HG2 ILE 41 12.397 18.275 1.554 278 HG23 ILE 41 3HG2 ILE 41 11.985 16.654 0.995 279 HD11 ILE 41 1HD1 ILE 41 11.953 20.172 -1.191 280 HD12 ILE 41 2HD1 ILE 41 10.355 20.835 -1.533 281 HD13 ILE 41 3HD1 ILE 41 10.899 20.661 0.136 282 H GLY 42 H GLY 42 8.979 14.563 1.350 283 HA2 GLY 42 1HA GLY 42 10.227 14.790 3.996 284 HA3 GLY 42 2HA GLY 42 8.526 14.356 3.914 285 H GLY 43 H GLY 43 8.502 12.282 4.569 286 HA2 GLY 43 1HA GLY 43 10.044 10.374 2.939 287 HA3 GLY 43 2HA GLY 43 10.075 10.252 4.692 288 H LEU 44 H LEU 44 8.884 8.720 2.198 289 HA LEU 44 HA LEU 44 6.108 8.492 2.973 290 HB2 LEU 44 1HB LEU 44 6.777 8.353 0.621 291 HB3 LEU 44 2HB LEU 44 7.730 6.914 0.979 292 HG LEU 44 HG LEU 44 5.401 5.985 1.794 293 HD11 LEU 44 1HD1 LEU 44 4.715 8.320 0.061 294 HD12 LEU 44 2HD1 LEU 44 3.953 7.766 1.551 295 HD13 LEU 44 3HD1 LEU 44 3.700 6.877 0.049 296 HD21 LEU 44 1HD2 LEU 44 5.960 6.229 -1.153 297 HD22 LEU 44 2HD2 LEU 44 5.157 4.908 -0.304 298 HD23 LEU 44 3HD2 LEU 44 6.885 5.183 -0.076 299 H GLY 45 H GLY 45 5.185 6.901 4.157 300 HA2 GLY 45 1HA GLY 45 6.915 4.674 5.028 301 HA3 GLY 45 2HA GLY 45 5.972 5.592 6.192 302 H ILE 46 H ILE 46 5.983 2.999 3.987 303 HA ILE 46 HA ILE 46 3.065 2.694 4.205 304 HB ILE 46 HB ILE 46 4.953 1.248 2.343 305 HG12 ILE 46 1HG1 ILE 46 3.111 3.597 1.856 306 HG13 ILE 46 2HG1 ILE 46 4.869 3.603 1.763 307 HG21 ILE 46 1HG2 ILE 46 3.059 0.318 1.311 308 HG22 ILE 46 2HG2 ILE 46 2.775 0.135 3.041 309 HG23 ILE 46 3HG2 ILE 46 1.962 1.418 2.145 310 HD11 ILE 46 1HD1 ILE 46 3.140 1.910 -0.014 311 HD12 ILE 46 2HD1 ILE 46 3.657 3.544 -0.429 312 HD13 ILE 46 3HD1 ILE 46 4.857 2.274 -0.190 313 H THR 47 H THR 47 2.205 1.070 5.347 314 HA THR 47 HA THR 47 3.870 -1.217 6.094 315 HB THR 47 HB THR 47 2.931 -1.044 8.459 316 HG1 THR 47 1HG THR 47 2.626 1.379 8.899 317 HG21 THR 47 1HG2 THR 47 4.885 1.055 7.509 318 HG22 THR 47 2HG2 THR 47 5.275 -0.603 7.968 319 HG23 THR 47 3HG2 THR 47 4.682 0.533 9.180 320 H VAL 48 H VAL 48 2.640 -3.037 6.907 321 HA VAL 48 HA VAL 48 -0.205 -2.950 6.140 322 HB VAL 48 HB VAL 48 1.765 -5.183 5.639 323 HG11 VAL 48 1HG1 VAL 48 -1.179 -5.156 5.002 324 HG12 VAL 48 2HG1 VAL 48 -0.042 -6.487 4.776 325 HG13 VAL 48 3HG1 VAL 48 -0.481 -5.967 6.404 326 HG21 VAL 48 1HG2 VAL 48 2.092 -3.968 3.776 327 HG22 VAL 48 2HG2 VAL 48 0.542 -4.642 3.272 328 HG23 VAL 48 3HG2 VAL 48 0.611 -3.037 4.001 329 H GLU 49 H GLU 49 -1.621 -3.769 7.569 330 HA GLU 49 HA GLU 49 -0.530 -5.205 9.900 331 HB2 GLU 49 1HB GLU 49 -2.691 -3.116 9.736 332 HB3 GLU 49 2HB GLU 49 -2.565 -4.210 11.107 333 HG2 GLU 49 1HG GLU 49 -0.295 -3.398 11.536 334 HG3 GLU 49 2HG GLU 49 -0.447 -2.283 10.179 335 H GLY 50 H GLY 50 -1.447 -7.102 10.445 336 HA2 GLY 50 1HA GLY 50 -4.129 -7.810 9.779 337 HA3 GLY 50 2HA GLY 50 -2.984 -8.567 8.681 338 HA PRO 51 HA PRO 51 -3.566 -11.291 12.415 339 HB2 PRO 51 1HB PRO 51 -4.090 -13.548 11.000 340 HB3 PRO 51 2HB PRO 51 -5.346 -12.396 11.470 341 HG2 PRO 51 1HG PRO 51 -3.935 -12.695 8.847 342 HG3 PRO 51 2HG PRO 51 -5.657 -12.418 9.166 343 HD2 PRO 51 1HD PRO 51 -3.973 -10.429 8.428 344 HD3 PRO 51 2HD PRO 51 -5.359 -10.157 9.504 345 H SER 52 H SER 52 -1.445 -10.906 9.873 346 HA SER 52 HA SER 52 0.568 -12.517 11.185 347 HB2 SER 52 1HB SER 52 1.110 -13.925 9.344 348 HB3 SER 52 2HB SER 52 -0.637 -14.049 9.546 349 HG SER 52 HG SER 52 -0.910 -13.165 7.656 350 H GLU 53 H GLU 53 2.702 -11.988 10.551 351 HA GLU 53 HA GLU 53 3.009 -9.279 9.704 352 HB2 GLU 53 1HB GLU 53 4.460 -10.591 11.371 353 HB3 GLU 53 2HB GLU 53 5.245 -11.279 9.957 354 HG2 GLU 53 1HG GLU 53 5.822 -9.001 9.209 355 HG3 GLU 53 2HG GLU 53 5.115 -8.365 10.693 356 H SER 54 H SER 54 3.184 -8.538 7.703 357 HA SER 54 HA SER 54 3.744 -10.438 5.539 358 HB2 SER 54 1HB SER 54 2.609 -7.639 5.338 359 HB3 SER 54 2HB SER 54 2.695 -8.838 4.048 360 HG SER 54 HG SER 54 0.927 -8.628 6.164 361 H LYS 55 H LYS 55 5.419 -10.176 4.138 362 HA LYS 55 HA LYS 55 7.586 -8.489 4.992 363 HB2 LYS 55 1HB LYS 55 7.212 -10.573 2.878 364 HB3 LYS 55 2HB LYS 55 8.593 -9.488 2.777 365 HG2 LYS 55 1HG LYS 55 9.440 -10.241 4.867 366 HG3 LYS 55 2HG LYS 55 7.960 -11.139 5.210 367 HD2 LYS 55 1HD LYS 55 9.489 -12.770 4.503 368 HD3 LYS 55 2HD LYS 55 8.484 -12.463 3.085 369 HE2 LYS 55 1HE LYS 55 10.574 -12.402 2.144 370 HE3 LYS 55 2HE LYS 55 10.348 -10.699 2.539 371 HZ1 LYS 55 1HZ LYS 55 12.141 -12.662 3.738 372 HZ2 LYS 55 2HZ LYS 55 11.458 -11.519 4.780 373 HZ3 LYS 55 3HZ LYS 55 12.378 -11.011 3.454 374 H ILE 56 H ILE 56 7.349 -6.366 4.595 375 HA ILE 56 HA ILE 56 6.303 -5.493 2.007 376 HB ILE 56 HB ILE 56 6.833 -4.036 4.587 377 HG12 ILE 56 1HG1 ILE 56 4.305 -4.204 2.947 378 HG13 ILE 56 2HG1 ILE 56 4.709 -5.383 4.190 379 HG21 ILE 56 1HG2 ILE 56 6.375 -2.929 1.844 380 HG22 ILE 56 2HG2 ILE 56 5.830 -2.052 3.272 381 HG23 ILE 56 3HG2 ILE 56 7.541 -2.428 3.069 382 HD11 ILE 56 1HD1 ILE 56 3.469 -4.002 5.461 383 HD12 ILE 56 2HD1 ILE 56 4.997 -3.132 5.605 384 HD13 ILE 56 3HD1 ILE 56 3.785 -2.599 4.441 385 H ASN 57 H ASN 57 7.434 -4.109 0.629 386 HA ASN 57 HA ASN 57 10.209 -3.482 1.237 387 HB2 ASN 57 1HB ASN 57 9.342 -5.369 -0.937 388 HB3 ASN 57 2HB ASN 57 10.813 -4.416 -1.110 389 HD21 ASN 57 1HD2 ASN 57 9.716 -7.334 -0.255 390 HD22 ASN 57 2HD2 ASN 57 10.945 -7.817 0.860 391 H CYS 58 H CYS 58 10.668 -1.498 0.550 392 HA CYS 58 HA CYS 58 8.856 -0.238 -1.379 393 HB2 CYS 58 1HB CYS 58 9.630 1.884 -0.512 394 HB3 CYS 58 2HB CYS 58 9.170 0.850 0.835 395 HG CYS 58 HG CYS 58 11.568 0.529 1.898 396 H ARG 59 H ARG 59 9.534 0.534 -3.307 397 HA ARG 59 HA ARG 59 12.398 0.244 -3.939 398 HB2 ARG 59 1HB ARG 59 9.957 -0.557 -5.457 399 HB3 ARG 59 2HB ARG 59 11.363 -0.018 -6.365 400 HG2 ARG 59 1HG ARG 59 12.613 -1.836 -5.783 401 HG3 ARG 59 2HG ARG 59 11.757 -2.074 -4.258 402 HD2 ARG 59 1HD ARG 59 10.985 -3.850 -5.508 403 HD3 ARG 59 2HD ARG 59 9.735 -2.640 -5.797 404 HE ARG 59 HE ARG 59 10.359 -2.571 -7.998 405 HH11 ARG 59 1HH1 ARG 59 12.857 -4.144 -6.151 406 HH12 ARG 59 2HH1 ARG 59 13.759 -4.636 -7.546 407 HH21 ARG 59 1HH2 ARG 59 11.538 -3.214 -9.842 408 HH22 ARG 59 2HH2 ARG 59 13.008 -4.106 -9.645 409 H ASP 60 H ASP 60 13.383 1.852 -5.107 410 HA ASP 60 HA ASP 60 11.904 4.368 -5.272 411 HB2 ASP 60 1HB ASP 60 14.285 5.254 -5.784 412 HB3 ASP 60 2HB ASP 60 13.919 4.723 -4.145 413 H ASN 61 H ASN 61 11.234 5.205 -7.136 414 HA ASN 61 HA ASN 61 12.133 3.934 -9.627 415 HB2 ASN 61 1HB ASN 61 9.701 5.680 -9.189 416 HB3 ASN 61 2HB ASN 61 10.078 4.735 -10.627 417 HD21 ASN 61 1HD2 ASN 61 7.871 4.750 -8.521 418 HD22 ASN 61 2HD2 ASN 61 7.711 3.084 -8.091 419 H LYS 62 H LYS 62 12.588 5.236 -11.476 420 HA LYS 62 HA LYS 62 13.605 7.902 -10.760 421 HB2 LYS 62 1HB LYS 62 14.452 5.936 -12.886 422 HB3 LYS 62 2HB LYS 62 15.011 7.603 -12.855 423 HG2 LYS 62 1HG LYS 62 15.696 6.996 -10.397 424 HG3 LYS 62 2HG LYS 62 15.661 5.348 -11.027 425 HD2 LYS 62 1HD LYS 62 17.165 6.131 -12.880 426 HD3 LYS 62 2HD LYS 62 17.322 7.662 -12.015 427 HE2 LYS 62 1HE LYS 62 19.190 6.416 -11.351 428 HE3 LYS 62 2HE LYS 62 18.053 6.253 -10.014 429 HZ1 LYS 62 1HZ LYS 62 17.554 4.078 -10.603 430 HZ2 LYS 62 2HZ LYS 62 19.224 4.165 -10.852 431 HZ3 LYS 62 3HZ LYS 62 18.168 4.240 -12.171 432 H ASP 63 H ASP 63 10.849 7.436 -11.415 433 HA ASP 63 HA ASP 63 10.664 8.902 -13.965 434 HB2 ASP 63 1HB ASP 63 8.693 6.962 -12.740 435 HB3 ASP 63 2HB ASP 63 8.371 7.937 -14.172 436 H GLY 64 H GLY 64 8.561 8.308 -11.141 437 HA2 GLY 64 1HA GLY 64 8.585 10.798 -9.994 438 HA3 GLY 64 2HA GLY 64 7.427 10.935 -11.309 439 H SER 65 H SER 65 8.145 8.331 -8.987 440 HA SER 65 HA SER 65 5.764 8.691 -7.493 441 HB2 SER 65 1HB SER 65 5.745 6.603 -9.669 442 HB3 SER 65 2HB SER 65 4.710 6.482 -8.247 443 HG SER 65 HG SER 65 4.503 8.118 -10.439 444 H CYS 66 H CYS 66 5.272 6.351 -6.381 445 HA CYS 66 HA CYS 66 7.885 5.259 -5.576 446 HB2 CYS 66 1HB CYS 66 5.638 6.282 -3.886 447 HB3 CYS 66 2HB CYS 66 6.621 4.953 -3.283 448 HG CYS 66 HG CYS 66 8.466 7.474 -4.435 449 H SER 67 H SER 67 7.932 3.074 -4.976 450 HA SER 67 HA SER 67 5.533 1.540 -5.740 451 HB2 SER 67 1HB SER 67 7.253 1.235 -7.421 452 HB3 SER 67 2HB SER 67 8.447 0.848 -6.182 453 HG SER 67 HG SER 67 7.671 -1.114 -6.038 454 H ALA 68 H ALA 68 4.787 0.074 -4.329 455 HA ALA 68 HA ALA 68 6.511 -0.759 -2.103 456 HB1 ALA 68 1HB ALA 68 4.365 1.057 -1.866 457 HB2 ALA 68 2HB ALA 68 3.842 -0.462 -1.137 458 HB3 ALA 68 3HB ALA 68 5.320 0.323 -0.578 459 H GLU 69 H GLU 69 6.477 -2.889 -1.796 460 HA GLU 69 HA GLU 69 4.173 -4.412 -2.822 461 HB2 GLU 69 1HB GLU 69 5.703 -6.222 -3.416 462 HB3 GLU 69 2HB GLU 69 6.138 -4.736 -4.249 463 HG2 GLU 69 1HG GLU 69 7.477 -5.326 -1.670 464 HG3 GLU 69 2HG GLU 69 7.940 -6.269 -3.085 465 H TYR 70 H TYR 70 3.517 -6.227 -1.647 466 HA TYR 70 HA TYR 70 4.842 -6.777 0.893 467 HB2 TYR 70 1HB TYR 70 2.829 -6.513 2.202 468 HB3 TYR 70 2HB TYR 70 3.144 -5.010 1.342 469 HD1 TYR 70 1HD TYR 70 1.739 -4.364 -0.583 470 HD2 TYR 70 2HD TYR 70 0.866 -7.811 1.754 471 HE1 TYR 70 1HE TYR 70 -0.532 -4.422 -1.526 472 HE2 TYR 70 2HE TYR 70 -1.407 -7.879 0.817 473 HH TYR 70 HH TYR 70 -2.896 -5.470 -0.567 474 H ILE 71 H ILE 71 4.276 -8.797 1.819 475 HA ILE 71 HA ILE 71 2.588 -10.558 0.201 476 HB ILE 71 HB ILE 71 5.433 -11.203 0.983 477 HG12 ILE 71 1HG1 ILE 71 4.213 -11.185 -1.775 478 HG13 ILE 71 2HG1 ILE 71 4.977 -9.762 -1.078 479 HG21 ILE 71 1HG2 ILE 71 3.146 -12.910 0.411 480 HG22 ILE 71 2HG2 ILE 71 4.528 -13.236 -0.634 481 HG23 ILE 71 3HG2 ILE 71 4.711 -13.312 1.118 482 HD11 ILE 71 1HD1 ILE 71 7.044 -10.563 -1.400 483 HD12 ILE 71 2HD1 ILE 71 6.585 -12.214 -0.981 484 HD13 ILE 71 3HD1 ILE 71 6.249 -11.587 -2.595 485 HA PRO 72 HA PRO 72 1.424 -11.283 4.500 486 HB2 PRO 72 1HB PRO 72 -0.929 -12.488 3.884 487 HB3 PRO 72 2HB PRO 72 -0.723 -10.733 3.897 488 HG2 PRO 72 1HG PRO 72 -0.697 -12.626 1.578 489 HG3 PRO 72 2HG PRO 72 -1.472 -11.037 1.717 490 HD2 PRO 72 1HD PRO 72 0.887 -11.401 0.439 491 HD3 PRO 72 2HD PRO 72 0.492 -9.904 1.307 492 H PHE 73 H PHE 73 0.748 -13.275 5.682 493 HA PHE 73 HA PHE 73 1.855 -15.690 4.407 494 HB2 PHE 73 1HB PHE 73 2.102 -14.759 7.271 495 HB3 PHE 73 2HB PHE 73 2.533 -16.380 6.735 496 HD1 PHE 73 1HD PHE 73 3.187 -12.856 5.685 497 HD2 PHE 73 2HD PHE 73 4.757 -16.753 6.365 498 HE1 PHE 73 1HE PHE 73 5.433 -12.052 5.081 499 HE2 PHE 73 2HE PHE 73 7.006 -15.956 5.762 500 HZ PHE 73 HZ PHE 73 7.346 -13.603 5.120 501 H ALA 74 H ALA 74 -0.814 -14.249 5.899 502 HA ALA 74 HA ALA 74 -2.224 -16.809 5.902 503 HB1 ALA 74 1HB ALA 74 -3.059 -15.214 8.168 504 HB2 ALA 74 2HB ALA 74 -2.590 -16.913 8.095 505 HB3 ALA 74 3HB ALA 74 -1.357 -15.666 8.276 506 HA PRO 75 HA PRO 75 -5.356 -14.421 3.937 507 HB2 PRO 75 1HB PRO 75 -7.494 -16.025 4.413 508 HB3 PRO 75 2HB PRO 75 -6.236 -16.425 3.237 509 HG2 PRO 75 1HG PRO 75 -6.584 -17.402 6.045 510 HG3 PRO 75 2HG PRO 75 -6.141 -18.314 4.590 511 HD2 PRO 75 1HD PRO 75 -4.312 -17.511 6.418 512 HD3 PRO 75 2HD PRO 75 -3.938 -17.645 4.688 513 H GLY 76 H GLY 76 -7.005 -12.973 4.394 514 HA2 GLY 76 1HA GLY 76 -8.814 -12.759 6.335 515 HA3 GLY 76 2HA GLY 76 -7.350 -12.361 7.221 516 H ASP 77 H ASP 77 -8.696 -10.345 7.514 517 HA ASP 77 HA ASP 77 -8.664 -8.559 5.208 518 HB2 ASP 77 1HB ASP 77 -9.753 -6.969 6.924 519 HB3 ASP 77 2HB ASP 77 -10.685 -8.362 6.379 520 H TYR 78 H TYR 78 -6.952 -7.339 4.811 521 HA TYR 78 HA TYR 78 -5.196 -6.597 7.055 522 HB2 TYR 78 1HB TYR 78 -4.625 -7.062 4.133 523 HB3 TYR 78 2HB TYR 78 -3.495 -6.207 5.178 524 HD1 TYR 78 1HD TYR 78 -5.489 -9.375 5.228 525 HD2 TYR 78 2HD TYR 78 -1.789 -7.458 6.083 526 HE1 TYR 78 1HE TYR 78 -4.552 -11.527 5.963 527 HE2 TYR 78 2HE TYR 78 -0.840 -9.605 6.819 528 HH TYR 78 HH TYR 78 -2.824 -12.495 7.085 529 H ASP 79 H ASP 79 -4.301 -4.482 7.100 530 HA ASP 79 HA ASP 79 -5.798 -2.498 5.516 531 HB2 ASP 79 1HB ASP 79 -5.293 -2.641 8.451 532 HB3 ASP 79 2HB ASP 79 -5.294 -1.052 7.691 533 H VAL 80 H VAL 80 -4.370 -1.746 4.081 534 HA VAL 80 HA VAL 80 -1.563 -1.529 4.672 535 HB VAL 80 HB VAL 80 -3.071 -0.481 2.273 536 HG11 VAL 80 1HG1 VAL 80 -1.000 -0.267 1.190 537 HG12 VAL 80 2HG1 VAL 80 -0.740 0.415 2.797 538 HG13 VAL 80 3HG1 VAL 80 -0.161 -1.209 2.422 539 HG21 VAL 80 1HG2 VAL 80 -2.249 -2.555 1.166 540 HG22 VAL 80 2HG2 VAL 80 -1.727 -3.139 2.747 541 HG23 VAL 80 3HG2 VAL 80 -3.438 -2.847 2.436 542 H ASN 81 H ASN 81 -0.845 0.048 5.946 543 HA ASN 81 HA ASN 81 -2.202 2.625 6.006 544 HB2 ASN 81 1HB ASN 81 -0.001 1.419 7.687 545 HB3 ASN 81 2HB ASN 81 -0.531 3.090 7.864 546 HD21 ASN 81 1HD2 ASN 81 -1.628 -0.254 7.977 547 HD22 ASN 81 2HD2 ASN 81 -2.908 0.014 9.107 548 H ILE 82 H ILE 82 -1.444 4.446 5.111 549 HA ILE 82 HA ILE 82 1.336 4.516 4.170 550 HB ILE 82 HB ILE 82 -1.062 5.287 2.503 551 HG12 ILE 82 1HG1 ILE 82 1.042 3.243 1.825 552 HG13 ILE 82 2HG1 ILE 82 -0.384 2.811 2.761 553 HG21 ILE 82 1HG2 ILE 82 0.266 6.618 1.327 554 HG22 ILE 82 2HG2 ILE 82 1.575 6.304 2.466 555 HG23 ILE 82 3HG2 ILE 82 1.382 5.282 1.042 556 HD11 ILE 82 1HD1 ILE 82 -0.215 2.682 0.071 557 HD12 ILE 82 2HD1 ILE 82 -1.723 2.862 0.969 558 HD13 ILE 82 3HD1 ILE 82 -0.930 4.280 0.284 559 H THR 83 H THR 83 2.334 6.298 4.817 560 HA THR 83 HA THR 83 0.771 8.758 5.193 561 HB THR 83 HB THR 83 2.145 9.259 7.230 562 HG1 THR 83 1HG THR 83 3.069 6.676 6.640 563 HG21 THR 83 1HG2 THR 83 0.276 8.616 8.259 564 HG22 THR 83 2HG2 THR 83 0.906 6.970 8.321 565 HG23 THR 83 3HG2 THR 83 -0.086 7.484 6.957 566 H TYR 84 H TYR 84 1.978 10.711 5.027 567 HA TYR 84 HA TYR 84 4.599 10.391 3.719 568 HB2 TYR 84 1HB TYR 84 2.511 11.131 2.311 569 HB3 TYR 84 2HB TYR 84 2.798 12.694 3.067 570 HD1 TYR 84 1HD TYR 84 4.961 10.043 1.545 571 HD2 TYR 84 2HD TYR 84 3.905 14.162 1.687 572 HE1 TYR 84 1HE TYR 84 6.680 10.536 -0.144 573 HE2 TYR 84 2HE TYR 84 5.621 14.666 -0.001 574 HH TYR 84 HH TYR 84 7.186 12.246 -1.811 575 H GLY 85 H GLY 85 5.960 10.933 5.345 576 HA2 GLY 85 1HA GLY 85 7.216 12.519 6.506 577 HA3 GLY 85 2HA GLY 85 5.962 13.709 6.188 578 H GLY 86 H GLY 86 3.772 13.001 7.328 579 HA2 GLY 86 1HA GLY 86 4.005 11.647 9.823 580 HA3 GLY 86 2HA GLY 86 4.096 13.388 10.047 581 H ALA 87 H ALA 87 2.197 12.112 7.448 582 HA ALA 87 HA ALA 87 -0.265 12.406 9.015 583 HB1 ALA 87 1HB ALA 87 -0.722 13.486 6.415 584 HB2 ALA 87 2HB ALA 87 -0.895 14.268 7.987 585 HB3 ALA 87 3HB ALA 87 0.655 14.312 7.146 586 H HIS 88 H HIS 88 -2.153 11.457 7.973 587 HA HIS 88 HA HIS 88 -1.406 9.080 6.450 588 HB2 HIS 88 1HB HIS 88 -3.768 9.846 8.126 589 HB3 HIS 88 2HB HIS 88 -3.930 8.559 6.936 590 HD1 HIS 88 1HD HIS 88 -3.117 6.293 7.608 591 HD2 HIS 88 2HD HIS 88 -1.752 9.283 10.149 592 HE1 HIS 88 1HE HIS 88 -1.987 5.095 9.509 593 HE2 HIS 88 2HE HIS 88 -1.244 6.922 11.076 594 H ILE 89 H ILE 89 -1.809 8.863 4.349 595 HA ILE 89 HA ILE 89 -2.895 10.990 2.823 596 HB ILE 89 HB ILE 89 -2.631 9.555 0.892 597 HG12 ILE 89 1HG1 ILE 89 -1.769 7.277 2.646 598 HG13 ILE 89 2HG1 ILE 89 -3.474 7.501 2.270 599 HG21 ILE 89 1HG2 ILE 89 -0.559 10.095 2.801 600 HG22 ILE 89 2HG2 ILE 89 -0.191 8.619 1.910 601 HG23 ILE 89 3HG2 ILE 89 -0.490 10.123 1.039 602 HD11 ILE 89 1HD1 ILE 89 -3.189 6.992 0.053 603 HD12 ILE 89 2HD1 ILE 89 -1.486 7.450 0.055 604 HD13 ILE 89 3HD1 ILE 89 -1.994 5.940 0.811 605 HA PRO 90 HA PRO 90 -7.197 10.097 2.783 606 HB2 PRO 90 1HB PRO 90 -7.868 11.008 0.316 607 HB3 PRO 90 2HB PRO 90 -7.465 12.083 1.660 608 HG2 PRO 90 1HG PRO 90 -5.750 11.176 -0.620 609 HG3 PRO 90 2HG PRO 90 -5.903 12.793 0.090 610 HD2 PRO 90 1HD PRO 90 -3.842 11.136 0.671 611 HD3 PRO 90 2HD PRO 90 -4.499 12.292 1.848 612 H GLY 91 H GLY 91 -7.200 7.819 2.823 613 HA2 GLY 91 1HA GLY 91 -8.567 6.353 1.114 614 HA3 GLY 91 2HA GLY 91 -7.030 6.413 0.262 615 H SER 92 H SER 92 -5.986 6.531 3.263 616 HA SER 92 HA SER 92 -5.895 3.599 3.535 617 HB2 SER 92 1HB SER 92 -3.674 4.087 3.263 618 HB3 SER 92 2HB SER 92 -3.848 5.727 3.886 619 HG SER 92 HG SER 92 -3.479 5.030 5.853 620 HA PRO 93 HA PRO 93 -4.758 2.330 5.180 621 HB2 PRO 93 1HB PRO 93 -6.068 0.304 6.426 622 HB3 PRO 93 2HB PRO 93 -4.851 1.302 7.232 623 HG2 PRO 93 1HG PRO 93 -7.836 1.498 7.342 624 HG3 PRO 93 2HG PRO 93 -6.657 1.633 8.659 625 HD2 PRO 93 1HD PRO 93 -7.802 3.796 7.500 626 HD3 PRO 93 2HD PRO 93 -6.149 3.822 8.148 627 H PHE 94 H PHE 94 -5.056 0.874 3.521 628 HA PHE 94 HA PHE 94 -7.667 0.975 2.212 629 HB2 PHE 94 1HB PHE 94 -4.936 0.133 1.234 630 HB3 PHE 94 2HB PHE 94 -6.401 -0.025 0.270 631 HD1 PHE 94 2HD PHE 94 -4.475 2.525 2.185 632 HD2 PHE 94 1HD PHE 94 -6.999 1.692 -1.140 633 HE1 PHE 94 2HE PHE 94 -4.203 4.842 1.402 634 HE2 PHE 94 1HE PHE 94 -6.730 4.007 -1.928 635 HZ PHE 94 HZ PHE 94 -5.332 5.586 -0.656 636 H ARG 95 H ARG 95 -9.022 -0.579 2.839 637 HA ARG 95 HA ARG 95 -8.232 -3.066 3.919 638 HB2 ARG 95 1HB ARG 95 -10.373 -2.219 4.521 639 HB3 ARG 95 2HB ARG 95 -10.858 -2.056 2.838 640 HG2 ARG 95 1HG ARG 95 -11.931 -3.956 3.974 641 HG3 ARG 95 2HG ARG 95 -10.959 -4.447 2.586 642 HD2 ARG 95 1HD ARG 95 -9.341 -5.428 3.895 643 HD3 ARG 95 2HD ARG 95 -9.708 -4.414 5.290 644 HE ARG 95 HE ARG 95 -10.794 -6.963 4.730 645 HH11 ARG 95 1HH1 ARG 95 -11.664 -3.837 5.990 646 HH12 ARG 95 2HH1 ARG 95 -12.936 -4.451 6.994 647 HH21 ARG 95 1HH2 ARG 95 -12.465 -7.784 6.047 648 HH22 ARG 95 2HH2 ARG 95 -13.390 -6.696 7.027 649 H VAL 96 H VAL 96 -7.577 -4.865 2.951 650 HA VAL 96 HA VAL 96 -8.360 -5.346 0.157 651 HB VAL 96 HB VAL 96 -5.586 -5.797 1.267 652 HG11 VAL 96 1HG1 VAL 96 -5.831 -7.452 -0.324 653 HG12 VAL 96 2HG1 VAL 96 -6.906 -6.476 -1.327 654 HG13 VAL 96 3HG1 VAL 96 -5.178 -6.124 -1.283 655 HG21 VAL 96 1HG2 VAL 96 -6.305 -3.880 -0.922 656 HG22 VAL 96 2HG2 VAL 96 -6.365 -3.393 0.772 657 HG23 VAL 96 3HG2 VAL 96 -4.845 -3.941 0.065 658 HA PRO 97 HA PRO 97 -9.575 -9.195 2.060 659 HB2 PRO 97 1HB PRO 97 -10.605 -10.294 -0.199 660 HB3 PRO 97 2HB PRO 97 -11.459 -9.072 0.751 661 HG2 PRO 97 1HG PRO 97 -9.855 -8.743 -1.756 662 HG3 PRO 97 2HG PRO 97 -11.413 -8.016 -1.321 663 HD2 PRO 97 1HD PRO 97 -9.073 -6.669 -1.128 664 HD3 PRO 97 2HD PRO 97 -10.432 -6.384 -0.022 665 H VAL 98 H VAL 98 -7.785 -10.366 2.551 666 HA VAL 98 HA VAL 98 -6.063 -11.373 0.430 667 HB VAL 98 HB VAL 98 -5.842 -11.719 3.424 668 HG11 VAL 98 1HG1 VAL 98 -3.614 -12.103 1.463 669 HG12 VAL 98 2HG1 VAL 98 -3.773 -12.717 3.110 670 HG13 VAL 98 3HG1 VAL 98 -4.738 -13.416 1.809 671 HG21 VAL 98 1HG2 VAL 98 -5.396 -9.498 3.236 672 HG22 VAL 98 2HG2 VAL 98 -3.800 -10.119 2.816 673 HG23 VAL 98 3HG2 VAL 98 -4.916 -9.623 1.544 674 H LYS 99 H LYS 99 -6.882 -13.084 -0.616 675 HA LYS 99 HA LYS 99 -8.349 -15.136 0.838 676 HB2 LYS 99 1HB LYS 99 -7.719 -14.980 -2.114 677 HB3 LYS 99 2HB LYS 99 -8.878 -16.055 -1.344 678 HG2 LYS 99 1HG LYS 99 -10.382 -14.332 -0.919 679 HG3 LYS 99 2HG LYS 99 -9.153 -13.082 -1.127 680 HD2 LYS 99 1HD LYS 99 -10.555 -13.039 -3.057 681 HD3 LYS 99 2HD LYS 99 -9.013 -13.750 -3.540 682 HE2 LYS 99 1HE LYS 99 -10.667 -15.103 -4.528 683 HE3 LYS 99 2HE LYS 99 -10.095 -16.009 -3.128 684 HZ1 LYS 99 1HZ LYS 99 -12.659 -14.613 -3.508 685 HZ2 LYS 99 2HZ LYS 99 -12.061 -14.861 -1.946 686 HZ3 LYS 99 3HZ LYS 99 -12.371 -16.185 -2.953 687 H ASP 100 H ASP 100 -7.844 -17.458 0.260 688 HA ASP 100 HA ASP 100 -4.929 -17.849 0.378 689 HB2 ASP 100 1HB ASP 100 -5.660 -20.145 1.336 690 HB3 ASP 100 2HB ASP 100 -5.789 -18.722 2.367 691 H VAL 101 H VAL 101 -3.969 -18.784 -1.295 692 HA VAL 101 HA VAL 101 -5.028 -19.390 -3.700 693 HB VAL 101 HB VAL 101 -2.795 -20.974 -2.421 694 HG11 VAL 101 1HG1 VAL 101 -4.033 -21.467 -4.801 695 HG12 VAL 101 2HG1 VAL 101 -2.707 -20.411 -5.292 696 HG13 VAL 101 3HG1 VAL 101 -2.368 -21.904 -4.415 697 HG21 VAL 101 1HG2 VAL 101 -1.521 -19.187 -3.938 698 HG22 VAL 101 2HG2 VAL 101 -2.945 -18.230 -3.527 699 HG23 VAL 101 3HG2 VAL 101 -1.922 -18.884 -2.247 700 H VAL 102 H VAL 102 -4.801 -21.617 -0.955 701 HA VAL 102 HA VAL 102 -6.966 -23.199 -2.095 702 HB VAL 102 HB VAL 102 -5.659 -25.321 -1.470 703 HG11 VAL 102 1HG1 VAL 102 -6.249 -24.749 -3.756 704 HG12 VAL 102 2HG1 VAL 102 -4.841 -23.692 -3.874 705 HG13 VAL 102 3HG1 VAL 102 -4.625 -25.434 -3.696 706 HG21 VAL 102 1HG2 VAL 102 -3.116 -24.274 -2.217 707 HG22 VAL 102 2HG2 VAL 102 -3.714 -23.369 -0.826 708 HG23 VAL 102 3HG2 VAL 102 -3.570 -25.125 -0.740 709 H ASP 103 H ASP 103 -7.554 -25.020 -0.483 710 HA ASP 103 HA ASP 103 -7.484 -23.856 2.220 711 HB2 ASP 103 1HB ASP 103 -9.560 -25.314 2.559 712 HB3 ASP 103 2HB ASP 103 -9.733 -23.912 1.506 713 HA PRO 104 HA PRO 104 -5.066 -27.359 3.438 714 HB2 PRO 104 1HB PRO 104 -5.219 -26.949 6.118 715 HB3 PRO 104 2HB PRO 104 -4.188 -25.984 5.056 716 HG2 PRO 104 1HG PRO 104 -6.893 -25.342 6.165 717 HG3 PRO 104 2HG PRO 104 -5.467 -24.298 6.021 718 HD2 PRO 104 1HD PRO 104 -7.531 -24.193 4.272 719 HD3 PRO 104 2HD PRO 104 -5.855 -23.863 3.791 720 H SER 105 H SER 105 -5.308 -29.053 5.339 721 HA SER 105 HA SER 105 -7.973 -29.759 6.088 722 HB2 SER 105 1HB SER 105 -7.608 -30.447 3.567 723 HB3 SER 105 2HB SER 105 -6.730 -31.799 4.283 724 HG SER 105 HG SER 105 -8.575 -32.660 4.761 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -9.619 28.543 6.190 2 HA2 GLY 1 1HA GLY 1 -11.267 28.474 8.122 3 HA3 GLY 1 2HA GLY 1 -10.329 27.088 8.658 4 H SER 2 H SER 2 -9.380 27.765 10.484 5 HA SER 2 HA SER 2 -8.209 30.428 10.616 6 HB2 SER 2 1HB SER 2 -8.330 28.291 12.757 7 HB3 SER 2 2HB SER 2 -7.910 29.988 12.987 8 HG SER 2 HG SER 2 -9.962 30.282 13.277 9 H SER 3 H SER 3 -6.381 30.379 9.369 10 HA SER 3 HA SER 3 -4.301 29.751 8.627 11 HB2 SER 3 1HB SER 3 -2.630 29.650 10.461 12 HB3 SER 3 2HB SER 3 -3.747 31.002 10.643 13 HG SER 3 HG SER 3 -3.535 29.956 12.615 14 H GLY 4 H GLY 4 -6.055 27.593 8.487 15 HA2 GLY 4 1HA GLY 4 -4.852 25.269 9.695 16 HA3 GLY 4 2HA GLY 4 -6.174 25.279 8.537 17 H SER 5 H SER 5 -2.795 26.409 8.417 18 HA SER 5 HA SER 5 -2.520 25.056 5.832 19 HB2 SER 5 1HB SER 5 -1.925 27.412 5.823 20 HB3 SER 5 2HB SER 5 -0.806 27.167 7.164 21 HG SER 5 HG SER 5 -0.527 26.548 4.471 22 H SER 6 H SER 6 -2.068 22.955 6.308 23 HA SER 6 HA SER 6 -0.759 21.761 8.309 24 HB2 SER 6 1HB SER 6 -0.581 21.188 5.357 25 HB3 SER 6 2HB SER 6 0.218 20.158 6.544 26 HG SER 6 HG SER 6 -2.554 20.773 6.466 27 H GLY 7 H GLY 7 0.917 23.174 5.498 28 HA2 GLY 7 1HA GLY 7 2.935 24.516 6.583 29 HA3 GLY 7 2HA GLY 7 3.481 22.868 6.855 30 H GLY 8 H GLY 8 4.391 21.734 5.206 31 HA2 GLY 8 1HA GLY 8 4.580 23.154 2.621 32 HA3 GLY 8 2HA GLY 8 5.889 22.205 3.311 33 H CYS 9 H CYS 9 5.227 19.846 3.779 34 HA CYS 9 HA CYS 9 4.727 18.556 1.385 35 HB2 CYS 9 1HB CYS 9 4.385 16.515 2.734 36 HB3 CYS 9 2HB CYS 9 5.786 17.435 3.271 37 HG CYS 9 HG CYS 9 3.250 16.396 5.024 38 H GLN 10 H GLN 10 2.921 17.168 0.764 39 HA GLN 10 HA GLN 10 0.321 18.060 1.796 40 HB2 GLN 10 1HB GLN 10 1.167 17.949 -1.099 41 HB3 GLN 10 2HB GLN 10 -0.513 18.046 -0.589 42 HG2 GLN 10 1HG GLN 10 -0.048 20.169 0.531 43 HG3 GLN 10 2HG GLN 10 1.630 20.074 -0.001 44 HE21 GLN 10 1HE2 GLN 10 2.033 20.097 -2.301 45 HE22 GLN 10 2HE2 GLN 10 0.951 20.947 -3.346 46 HA PRO 11 HA PRO 11 0.369 13.496 1.758 47 HB2 PRO 11 1HB PRO 11 -1.359 13.259 3.839 48 HB3 PRO 11 2HB PRO 11 0.376 13.520 4.056 49 HG2 PRO 11 1HG PRO 11 -1.867 15.499 4.172 50 HG3 PRO 11 2HG PRO 11 -0.459 15.340 5.238 51 HD2 PRO 11 1HD PRO 11 -0.588 17.186 3.262 52 HD3 PRO 11 2HD PRO 11 0.938 16.432 3.765 53 H SER 12 H SER 12 -1.849 15.845 0.948 54 HA SER 12 HA SER 12 -4.081 14.003 0.559 55 HB2 SER 12 1HB SER 12 -5.393 15.955 0.008 56 HB3 SER 12 2HB SER 12 -4.468 16.306 1.467 57 HG SER 12 HG SER 12 -4.169 18.046 0.178 58 H ARG 13 H ARG 13 -1.610 15.684 -1.228 59 HA ARG 13 HA ARG 13 -2.768 15.314 -3.810 60 HB2 ARG 13 1HB ARG 13 0.141 15.766 -3.133 61 HB3 ARG 13 2HB ARG 13 -0.644 16.064 -4.678 62 HG2 ARG 13 1HG ARG 13 -1.579 17.485 -2.223 63 HG3 ARG 13 2HG ARG 13 -0.147 18.043 -3.089 64 HD2 ARG 13 1HD ARG 13 -1.618 17.979 -5.182 65 HD3 ARG 13 2HD ARG 13 -2.979 17.856 -4.068 66 HE ARG 13 HE ARG 13 -1.223 20.045 -3.474 67 HH11 ARG 13 1HH1 ARG 13 -3.921 19.003 -5.412 68 HH12 ARG 13 2HH1 ARG 13 -4.540 20.605 -5.644 69 HH21 ARG 13 1HH2 ARG 13 -2.029 22.158 -3.772 70 HH22 ARG 13 2HH2 ARG 13 -3.463 22.398 -4.711 71 H VAL 14 H VAL 14 -1.335 13.200 -1.634 72 HA VAL 14 HA VAL 14 -0.029 11.462 -3.507 73 HB VAL 14 HB VAL 14 -0.947 10.720 -0.733 74 HG11 VAL 14 1HG1 VAL 14 0.300 9.258 -2.731 75 HG12 VAL 14 2HG1 VAL 14 1.613 9.716 -1.644 76 HG13 VAL 14 3HG1 VAL 14 0.214 8.841 -1.019 77 HG21 VAL 14 1HG2 VAL 14 0.352 12.883 -0.809 78 HG22 VAL 14 2HG2 VAL 14 1.057 11.602 0.177 79 HG23 VAL 14 3HG2 VAL 14 1.714 11.946 -1.423 80 H GLN 15 H GLN 15 -0.747 9.532 -4.351 81 HA GLN 15 HA GLN 15 -3.530 8.766 -3.830 82 HB2 GLN 15 1HB GLN 15 -2.294 9.205 -6.551 83 HB3 GLN 15 2HB GLN 15 -3.817 8.365 -6.293 84 HG2 GLN 15 1HG GLN 15 -4.606 10.474 -5.121 85 HG3 GLN 15 2HG GLN 15 -3.178 11.253 -5.800 86 HE21 GLN 15 1HE2 GLN 15 -2.919 10.782 -8.228 87 HE22 GLN 15 2HE2 GLN 15 -4.348 10.978 -9.178 88 H ALA 16 H ALA 16 -3.937 6.596 -3.890 89 HA ALA 16 HA ALA 16 -1.635 4.848 -4.472 90 HB1 ALA 16 1HB ALA 16 -3.764 4.062 -2.529 91 HB2 ALA 16 2HB ALA 16 -2.086 3.529 -2.632 92 HB3 ALA 16 3HB ALA 16 -2.463 5.141 -2.026 93 H GLN 17 H GLN 17 -1.934 3.401 -6.031 94 HA GLN 17 HA GLN 17 -4.621 2.371 -6.554 95 HB2 GLN 17 1HB GLN 17 -4.471 2.763 -8.924 96 HB3 GLN 17 2HB GLN 17 -4.226 4.291 -8.089 97 HG2 GLN 17 1HG GLN 17 -1.909 4.272 -8.522 98 HG3 GLN 17 2HG GLN 17 -1.945 2.584 -9.032 99 HE21 GLN 17 1HE2 GLN 17 -0.775 3.639 -10.869 100 HE22 GLN 17 2HE2 GLN 17 -1.731 4.214 -12.188 101 H GLY 18 H GLY 18 -4.404 0.626 -8.405 102 HA2 GLY 18 1HA GLY 18 -2.927 -1.051 -9.367 103 HA3 GLY 18 2HA GLY 18 -1.944 -0.930 -7.915 104 HA PRO 19 HA PRO 19 -5.004 -4.508 -7.648 105 HB2 PRO 19 1HB PRO 19 -3.158 -6.497 -7.554 106 HB3 PRO 19 2HB PRO 19 -3.843 -5.892 -9.067 107 HG2 PRO 19 1HG PRO 19 -1.223 -5.235 -7.778 108 HG3 PRO 19 2HG PRO 19 -1.580 -5.558 -9.484 109 HD2 PRO 19 1HD PRO 19 -1.271 -3.051 -8.511 110 HD3 PRO 19 2HD PRO 19 -2.371 -3.425 -9.853 111 H GLY 20 H GLY 20 -1.785 -4.245 -6.127 112 HA2 GLY 20 1HA GLY 20 -2.077 -5.655 -3.840 113 HA3 GLY 20 2HA GLY 20 -1.241 -4.109 -3.882 114 H LEU 21 H LEU 21 -3.858 -2.807 -4.671 115 HA LEU 21 HA LEU 21 -4.918 -2.616 -1.938 116 HB2 LEU 21 1HB LEU 21 -5.329 -0.693 -4.218 117 HB3 LEU 21 2HB LEU 21 -5.715 -0.434 -2.518 118 HG LEU 21 HG LEU 21 -2.901 -0.804 -3.525 119 HD11 LEU 21 1HD1 LEU 21 -2.848 1.283 -4.269 120 HD12 LEU 21 2HD1 LEU 21 -3.509 1.885 -2.749 121 HD13 LEU 21 3HD1 LEU 21 -4.595 1.375 -4.042 122 HD21 LEU 21 1HD2 LEU 21 -2.759 0.687 -1.284 123 HD22 LEU 21 2HD2 LEU 21 -2.649 -1.074 -1.302 124 HD23 LEU 21 3HD2 LEU 21 -4.184 -0.289 -0.923 125 H LYS 22 H LYS 22 -5.735 -3.457 -5.192 126 HA LYS 22 HA LYS 22 -8.580 -3.328 -4.841 127 HB2 LYS 22 1HB LYS 22 -6.886 -4.677 -6.951 128 HB3 LYS 22 2HB LYS 22 -8.640 -4.560 -7.009 129 HG2 LYS 22 1HG LYS 22 -6.912 -2.119 -6.801 130 HG3 LYS 22 2HG LYS 22 -7.279 -2.872 -8.355 131 HD2 LYS 22 1HD LYS 22 -9.523 -2.267 -6.490 132 HD3 LYS 22 2HD LYS 22 -8.784 -0.938 -7.387 133 HE2 LYS 22 1HE LYS 22 -9.134 -2.324 -9.471 134 HE3 LYS 22 2HE LYS 22 -10.120 -3.402 -8.485 135 HZ1 LYS 22 1HZ LYS 22 -10.632 -0.498 -8.830 136 HZ2 LYS 22 2HZ LYS 22 -11.613 -1.603 -8.008 137 HZ3 LYS 22 3HZ LYS 22 -11.429 -1.721 -9.685 138 H GLU 23 H GLU 23 -6.227 -5.995 -5.071 139 HA GLU 23 HA GLU 23 -7.603 -7.543 -3.115 140 HB2 GLU 23 1HB GLU 23 -8.402 -9.347 -4.469 141 HB3 GLU 23 2HB GLU 23 -9.072 -7.857 -5.120 142 HG2 GLU 23 1HG GLU 23 -6.578 -9.087 -6.238 143 HG3 GLU 23 2HG GLU 23 -8.185 -9.582 -6.769 144 H ALA 24 H ALA 24 -6.302 -9.101 -2.273 145 HA ALA 24 HA ALA 24 -3.827 -9.751 -3.726 146 HB1 ALA 24 1HB ALA 24 -3.025 -8.189 -2.202 147 HB2 ALA 24 2HB ALA 24 -4.106 -8.738 -0.920 148 HB3 ALA 24 3HB ALA 24 -2.728 -9.730 -1.397 149 H PHE 25 H PHE 25 -2.638 -11.558 -2.308 150 HA PHE 25 HA PHE 25 -4.592 -13.498 -1.320 151 HB2 PHE 25 1HB PHE 25 -2.899 -13.784 -3.750 152 HB3 PHE 25 2HB PHE 25 -3.070 -15.199 -2.716 153 HD1 PHE 25 2HD PHE 25 -5.212 -12.550 -4.240 154 HD2 PHE 25 1HD PHE 25 -4.774 -16.652 -3.192 155 HE1 PHE 25 2HE PHE 25 -7.384 -13.045 -5.284 156 HE2 PHE 25 1HE PHE 25 -6.945 -17.154 -4.236 157 HZ PHE 25 HZ PHE 25 -8.253 -15.349 -5.283 158 H THR 26 H THR 26 -3.321 -15.540 -0.542 159 HA THR 26 HA THR 26 -1.385 -14.582 1.372 160 HB THR 26 HB THR 26 -1.420 -16.896 2.248 161 HG1 THR 26 1HG THR 26 -1.950 -18.354 0.803 162 HG21 THR 26 1HG2 THR 26 -4.124 -15.652 1.740 163 HG22 THR 26 2HG2 THR 26 -3.053 -15.334 3.105 164 HG23 THR 26 3HG2 THR 26 -3.809 -16.918 2.925 165 H ASN 27 H ASN 27 0.770 -14.879 1.353 166 HA ASN 27 HA ASN 27 2.855 -15.337 0.568 167 HB2 ASN 27 1HB ASN 27 1.476 -17.866 -0.360 168 HB3 ASN 27 2HB ASN 27 3.221 -17.628 -0.346 169 HD21 ASN 27 1HD2 ASN 27 0.450 -17.261 1.842 170 HD22 ASN 27 2HD2 ASN 27 1.233 -17.944 3.221 171 H LYS 28 H LYS 28 0.876 -13.949 -1.159 172 HA LYS 28 HA LYS 28 2.117 -14.511 -3.773 173 HB2 LYS 28 1HB LYS 28 -0.665 -13.620 -3.060 174 HB3 LYS 28 2HB LYS 28 0.003 -13.315 -4.659 175 HG2 LYS 28 1HG LYS 28 0.534 -15.909 -4.517 176 HG3 LYS 28 2HG LYS 28 -0.834 -15.863 -3.403 177 HD2 LYS 28 1HD LYS 28 -1.902 -14.427 -5.356 178 HD3 LYS 28 2HD LYS 28 -0.737 -15.329 -6.328 179 HE2 LYS 28 1HE LYS 28 -1.661 -17.419 -5.603 180 HE3 LYS 28 2HE LYS 28 -2.705 -16.608 -4.436 181 HZ1 LYS 28 1HZ LYS 28 -3.962 -15.643 -6.193 182 HZ2 LYS 28 2HZ LYS 28 -3.838 -17.299 -6.514 183 HZ3 LYS 28 3HZ LYS 28 -2.880 -16.198 -7.370 184 HA PRO 29 HA PRO 29 3.833 -10.460 -3.645 185 HB2 PRO 29 1HB PRO 29 4.180 -10.052 -6.306 186 HB3 PRO 29 2HB PRO 29 5.198 -11.145 -5.362 187 HG2 PRO 29 1HG PRO 29 2.870 -11.781 -7.133 188 HG3 PRO 29 2HG PRO 29 4.428 -12.614 -6.992 189 HD2 PRO 29 1HD PRO 29 2.175 -13.527 -5.799 190 HD3 PRO 29 2HD PRO 29 3.788 -13.756 -5.095 191 H ASN 30 H ASN 30 2.609 -8.759 -3.119 192 HA ASN 30 HA ASN 30 0.576 -7.857 -5.051 193 HB2 ASN 30 1HB ASN 30 0.304 -7.252 -2.131 194 HB3 ASN 30 2HB ASN 30 -0.946 -7.382 -3.365 195 HD21 ASN 30 1HD2 ASN 30 0.828 -8.994 -0.949 196 HD22 ASN 30 2HD2 ASN 30 0.117 -10.557 -1.142 197 H VAL 31 H VAL 31 1.151 -6.002 -5.951 198 HA VAL 31 HA VAL 31 2.635 -4.044 -4.319 199 HB VAL 31 HB VAL 31 3.894 -3.348 -6.186 200 HG11 VAL 31 1HG1 VAL 31 5.124 -5.288 -6.797 201 HG12 VAL 31 2HG1 VAL 31 4.525 -5.554 -5.158 202 HG13 VAL 31 3HG1 VAL 31 3.732 -6.335 -6.526 203 HG21 VAL 31 1HG2 VAL 31 2.217 -3.245 -7.879 204 HG22 VAL 31 2HG2 VAL 31 3.499 -4.302 -8.471 205 HG23 VAL 31 3HG2 VAL 31 1.999 -4.995 -7.853 206 H PHE 32 H PHE 32 2.428 -1.771 -5.244 207 HA PHE 32 HA PHE 32 0.013 -1.175 -6.690 208 HB2 PHE 32 1HB PHE 32 -0.900 0.265 -4.814 209 HB3 PHE 32 2HB PHE 32 -1.048 -1.474 -4.581 210 HD1 PHE 32 2HD PHE 32 0.515 -2.641 -3.036 211 HD2 PHE 32 1HD PHE 32 0.347 1.602 -3.327 212 HE1 PHE 32 2HE PHE 32 1.671 -2.450 -0.872 213 HE2 PHE 32 1HE PHE 32 1.504 1.800 -1.164 214 HZ PHE 32 HZ PHE 32 2.166 -0.227 0.067 215 H THR 33 H THR 33 -0.075 0.959 -7.422 216 HA THR 33 HA THR 33 2.485 2.331 -7.379 217 HB THR 33 HB THR 33 -0.011 3.125 -8.885 218 HG1 THR 33 1HG THR 33 2.179 1.660 -9.941 219 HG21 THR 33 1HG2 THR 33 1.708 4.873 -8.668 220 HG22 THR 33 2HG2 THR 33 1.543 4.320 -10.335 221 HG23 THR 33 3HG2 THR 33 2.902 3.772 -9.354 222 H VAL 34 H VAL 34 2.920 4.192 -6.347 223 HA VAL 34 HA VAL 34 0.690 5.566 -4.993 224 HB VAL 34 HB VAL 34 3.496 5.183 -3.941 225 HG11 VAL 34 1HG1 VAL 34 3.129 6.904 -2.589 226 HG12 VAL 34 2HG1 VAL 34 1.580 7.194 -3.382 227 HG13 VAL 34 3HG1 VAL 34 1.668 6.129 -1.978 228 HG21 VAL 34 1HG2 VAL 34 2.767 3.453 -2.710 229 HG22 VAL 34 2HG2 VAL 34 1.214 4.219 -2.373 230 HG23 VAL 34 3HG2 VAL 34 1.465 3.367 -3.897 231 H VAL 35 H VAL 35 0.468 7.153 -6.563 232 HA VAL 35 HA VAL 35 2.621 8.614 -7.673 233 HB VAL 35 HB VAL 35 -0.312 9.293 -7.452 234 HG11 VAL 35 1HG1 VAL 35 1.974 10.858 -8.452 235 HG12 VAL 35 2HG1 VAL 35 0.568 10.789 -9.516 236 HG13 VAL 35 3HG1 VAL 35 0.399 11.392 -7.867 237 HG21 VAL 35 1HG2 VAL 35 -0.495 7.778 -9.073 238 HG22 VAL 35 2HG2 VAL 35 0.410 8.883 -10.107 239 HG23 VAL 35 3HG2 VAL 35 1.255 7.620 -9.213 240 H THR 36 H THR 36 3.937 9.908 -6.582 241 HA THR 36 HA THR 36 2.782 11.690 -4.542 242 HB THR 36 HB THR 36 4.730 11.458 -3.146 243 HG1 THR 36 1HG THR 36 5.700 9.821 -5.261 244 HG21 THR 36 1HG2 THR 36 2.975 9.291 -3.754 245 HG22 THR 36 2HG2 THR 36 3.733 9.698 -2.215 246 HG23 THR 36 3HG2 THR 36 4.563 8.638 -3.354 247 H ARG 37 H ARG 37 3.198 12.319 -7.275 248 HA ARG 37 HA ARG 37 5.648 13.856 -7.442 249 HB2 ARG 37 1HB ARG 37 4.884 14.434 -9.697 250 HB3 ARG 37 2HB ARG 37 4.820 12.697 -9.429 251 HG2 ARG 37 1HG ARG 37 2.522 12.642 -9.428 252 HG3 ARG 37 2HG ARG 37 2.377 14.337 -8.960 253 HD2 ARG 37 1HD ARG 37 3.527 13.532 -11.611 254 HD3 ARG 37 2HD ARG 37 1.787 13.691 -11.374 255 HE ARG 37 HE ARG 37 3.696 15.811 -11.616 256 HH11 ARG 37 1HH1 ARG 37 0.628 14.906 -10.243 257 HH12 ARG 37 2HH1 ARG 37 0.033 16.532 -10.170 258 HH21 ARG 37 1HH2 ARG 37 2.925 17.956 -11.526 259 HH22 ARG 37 2HH2 ARG 37 1.340 18.266 -10.902 260 H GLY 38 H GLY 38 2.394 14.345 -6.477 261 HA2 GLY 38 1HA GLY 38 2.601 17.255 -6.792 262 HA3 GLY 38 2HA GLY 38 1.143 16.363 -6.385 263 H ALA 39 H ALA 39 2.313 14.781 -4.298 264 HA ALA 39 HA ALA 39 1.791 16.303 -2.070 265 HB1 ALA 39 1HB ALA 39 1.860 14.145 -1.436 266 HB2 ALA 39 2HB ALA 39 3.149 13.742 -2.571 267 HB3 ALA 39 3HB ALA 39 3.536 14.520 -1.036 268 H GLY 40 H GLY 40 5.053 15.444 -3.256 269 HA2 GLY 40 1HA GLY 40 6.553 17.481 -3.441 270 HA3 GLY 40 2HA GLY 40 6.081 17.782 -1.775 271 H ILE 41 H ILE 41 7.895 17.478 -0.634 272 HA ILE 41 HA ILE 41 9.337 14.936 -1.025 273 HB ILE 41 HB ILE 41 10.535 17.462 0.106 274 HG12 ILE 41 1HG1 ILE 41 9.763 17.541 -2.361 275 HG13 ILE 41 2HG1 ILE 41 11.419 18.012 -1.993 276 HG21 ILE 41 1HG2 ILE 41 11.644 15.420 0.796 277 HG22 ILE 41 2HG2 ILE 41 11.760 14.890 -0.881 278 HG23 ILE 41 3HG2 ILE 41 12.661 16.306 -0.340 279 HD11 ILE 41 1HD1 ILE 41 10.614 15.280 -2.954 280 HD12 ILE 41 2HD1 ILE 41 11.190 16.579 -3.998 281 HD13 ILE 41 3HD1 ILE 41 12.250 15.907 -2.759 282 H GLY 42 H GLY 42 9.451 13.593 0.664 283 HA2 GLY 42 1HA GLY 42 9.710 14.306 3.348 284 HA3 GLY 42 2HA GLY 42 7.993 14.096 3.034 285 H GLY 43 H GLY 43 9.728 12.538 4.780 286 HA2 GLY 43 1HA GLY 43 10.408 10.063 3.599 287 HA3 GLY 43 2HA GLY 43 10.156 10.346 5.315 288 H LEU 44 H LEU 44 9.069 8.662 2.685 289 HA LEU 44 HA LEU 44 6.270 8.586 3.442 290 HB2 LEU 44 1HB LEU 44 6.793 8.501 1.097 291 HB3 LEU 44 2HB LEU 44 7.849 7.112 1.342 292 HG LEU 44 HG LEU 44 5.636 5.976 2.186 293 HD11 LEU 44 1HD1 LEU 44 3.684 6.773 0.910 294 HD12 LEU 44 2HD1 LEU 44 4.615 8.181 0.401 295 HD13 LEU 44 3HD1 LEU 44 4.238 7.944 2.107 296 HD21 LEU 44 1HD2 LEU 44 6.889 6.277 -0.428 297 HD22 LEU 44 2HD2 LEU 44 5.192 5.807 -0.520 298 HD23 LEU 44 3HD2 LEU 44 6.331 4.825 0.403 299 H GLY 45 H GLY 45 5.272 7.005 4.576 300 HA2 GLY 45 1HA GLY 45 6.939 4.721 5.439 301 HA3 GLY 45 2HA GLY 45 5.873 5.577 6.544 302 H ILE 46 H ILE 46 6.143 3.074 4.248 303 HA ILE 46 HA ILE 46 3.226 2.690 4.218 304 HB ILE 46 HB ILE 46 5.321 1.488 2.404 305 HG12 ILE 46 1HG1 ILE 46 3.184 3.550 1.821 306 HG13 ILE 46 2HG1 ILE 46 4.892 3.910 2.048 307 HG21 ILE 46 1HG2 ILE 46 2.458 1.348 1.712 308 HG22 ILE 46 2HG2 ILE 46 3.747 0.172 1.461 309 HG23 ILE 46 3HG2 ILE 46 2.986 0.320 3.045 310 HD11 ILE 46 1HD1 ILE 46 5.456 2.625 0.085 311 HD12 ILE 46 2HD1 ILE 46 3.769 2.153 -0.120 312 HD13 ILE 46 3HD1 ILE 46 4.242 3.841 -0.312 313 H THR 47 H THR 47 2.381 1.106 5.391 314 HA THR 47 HA THR 47 3.964 -1.282 5.972 315 HB THR 47 HB THR 47 2.971 -1.113 8.388 316 HG1 THR 47 1HG THR 47 2.750 1.503 7.376 317 HG21 THR 47 1HG2 THR 47 5.364 0.392 7.352 318 HG22 THR 47 2HG2 THR 47 5.315 -1.198 8.113 319 HG23 THR 47 3HG2 THR 47 5.012 0.249 9.074 320 H VAL 48 H VAL 48 2.669 -3.071 6.787 321 HA VAL 48 HA VAL 48 -0.190 -2.817 6.114 322 HB VAL 48 HB VAL 48 1.621 -5.156 5.501 323 HG11 VAL 48 1HG1 VAL 48 -1.078 -5.163 4.387 324 HG12 VAL 48 2HG1 VAL 48 -0.165 -6.461 5.159 325 HG13 VAL 48 3HG1 VAL 48 -1.037 -5.287 6.145 326 HG21 VAL 48 1HG2 VAL 48 0.208 -3.174 3.723 327 HG22 VAL 48 2HG2 VAL 48 1.949 -3.370 3.926 328 HG23 VAL 48 3HG2 VAL 48 1.004 -4.640 3.149 329 H GLU 49 H GLU 49 -1.618 -3.691 7.516 330 HA GLU 49 HA GLU 49 -0.521 -5.224 9.782 331 HB2 GLU 49 1HB GLU 49 -2.616 -3.060 9.750 332 HB3 GLU 49 2HB GLU 49 -2.469 -4.194 11.084 333 HG2 GLU 49 1HG GLU 49 -0.186 -3.453 11.482 334 HG3 GLU 49 2HG GLU 49 -0.306 -2.333 10.125 335 H GLY 50 H GLY 50 -1.515 -7.091 10.311 336 HA2 GLY 50 1HA GLY 50 -4.234 -7.665 9.635 337 HA3 GLY 50 2HA GLY 50 -3.113 -8.471 8.548 338 HA PRO 51 HA PRO 51 -3.846 -11.239 12.194 339 HB2 PRO 51 1HB PRO 51 -4.233 -13.480 10.711 340 HB3 PRO 51 2HB PRO 51 -5.535 -12.352 11.103 341 HG2 PRO 51 1HG PRO 51 -3.930 -12.592 8.588 342 HG3 PRO 51 2HG PRO 51 -5.675 -12.342 8.782 343 HD2 PRO 51 1HD PRO 51 -3.968 -10.321 8.201 344 HD3 PRO 51 2HD PRO 51 -5.434 -10.083 9.175 345 H SER 52 H SER 52 -1.583 -10.867 9.735 346 HA SER 52 HA SER 52 0.391 -12.375 11.210 347 HB2 SER 52 1HB SER 52 1.036 -13.872 9.473 348 HB3 SER 52 2HB SER 52 -0.715 -14.020 9.613 349 HG SER 52 HG SER 52 0.686 -12.456 7.700 350 H GLU 53 H GLU 53 2.569 -11.937 10.509 351 HA GLU 53 HA GLU 53 2.890 -9.239 9.619 352 HB2 GLU 53 1HB GLU 53 4.377 -10.146 11.309 353 HB3 GLU 53 2HB GLU 53 4.919 -11.400 10.203 354 HG2 GLU 53 1HG GLU 53 6.060 -9.840 8.842 355 HG3 GLU 53 2HG GLU 53 5.302 -8.473 9.657 356 H SER 54 H SER 54 3.116 -8.529 7.610 357 HA SER 54 HA SER 54 3.622 -10.481 5.479 358 HB2 SER 54 1HB SER 54 2.638 -7.641 5.160 359 HB3 SER 54 2HB SER 54 2.584 -8.938 3.967 360 HG SER 54 HG SER 54 1.312 -9.924 5.965 361 H LYS 55 H LYS 55 5.255 -10.230 3.996 362 HA LYS 55 HA LYS 55 7.510 -8.655 4.861 363 HB2 LYS 55 1HB LYS 55 7.019 -10.763 2.819 364 HB3 LYS 55 2HB LYS 55 8.376 -9.677 2.549 365 HG2 LYS 55 1HG LYS 55 9.191 -10.265 4.841 366 HG3 LYS 55 2HG LYS 55 7.926 -11.495 4.903 367 HD2 LYS 55 1HD LYS 55 9.899 -11.387 2.643 368 HD3 LYS 55 2HD LYS 55 10.275 -12.215 4.156 369 HE2 LYS 55 1HE LYS 55 8.652 -13.829 3.827 370 HE3 LYS 55 2HE LYS 55 7.715 -12.810 2.735 371 HZ1 LYS 55 1HZ LYS 55 10.088 -13.124 1.448 372 HZ2 LYS 55 2HZ LYS 55 8.667 -13.979 1.117 373 HZ3 LYS 55 3HZ LYS 55 9.834 -14.645 2.144 374 H ILE 56 H ILE 56 7.231 -6.511 4.518 375 HA ILE 56 HA ILE 56 6.223 -5.572 1.949 376 HB ILE 56 HB ILE 56 6.851 -4.188 4.542 377 HG12 ILE 56 1HG1 ILE 56 4.317 -4.097 2.917 378 HG13 ILE 56 2HG1 ILE 56 4.642 -5.411 4.042 379 HG21 ILE 56 1HG2 ILE 56 7.687 -2.655 2.956 380 HG22 ILE 56 2HG2 ILE 56 6.349 -2.954 1.848 381 HG23 ILE 56 3HG2 ILE 56 6.066 -2.091 3.359 382 HD11 ILE 56 1HD1 ILE 56 3.664 -4.141 5.575 383 HD12 ILE 56 2HD1 ILE 56 5.125 -3.152 5.540 384 HD13 ILE 56 3HD1 ILE 56 3.735 -2.709 4.549 385 H ASN 57 H ASN 57 7.383 -4.271 0.534 386 HA ASN 57 HA ASN 57 10.178 -3.702 1.087 387 HB2 ASN 57 1HB ASN 57 9.251 -5.647 -1.007 388 HB3 ASN 57 2HB ASN 57 10.735 -4.728 -1.237 389 HD21 ASN 57 1HD2 ASN 57 9.474 -7.543 -0.089 390 HD22 ASN 57 2HD2 ASN 57 10.760 -8.025 0.960 391 H CYS 58 H CYS 58 10.326 -1.616 0.611 392 HA CYS 58 HA CYS 58 8.632 -0.433 -1.424 393 HB2 CYS 58 1HB CYS 58 10.373 0.585 0.764 394 HB3 CYS 58 2HB CYS 58 10.112 1.643 -0.618 395 HG CYS 58 HG CYS 58 7.544 0.272 1.175 396 H ARG 59 H ARG 59 9.459 0.868 -3.156 397 HA ARG 59 HA ARG 59 12.219 0.250 -3.952 398 HB2 ARG 59 1HB ARG 59 9.696 -0.206 -5.499 399 HB3 ARG 59 2HB ARG 59 11.179 0.187 -6.357 400 HG2 ARG 59 1HG ARG 59 10.927 -2.096 -4.416 401 HG3 ARG 59 2HG ARG 59 10.693 -2.250 -6.158 402 HD2 ARG 59 1HD ARG 59 13.186 -0.944 -5.231 403 HD3 ARG 59 2HD ARG 59 13.043 -2.682 -4.973 404 HE ARG 59 HE ARG 59 13.099 -3.014 -7.271 405 HH11 ARG 59 1HH1 ARG 59 13.046 0.380 -6.497 406 HH12 ARG 59 2HH1 ARG 59 13.489 0.885 -8.094 407 HH21 ARG 59 1HH2 ARG 59 13.683 -2.362 -9.378 408 HH22 ARG 59 2HH2 ARG 59 13.850 -0.675 -9.732 409 H ASP 60 H ASP 60 13.184 1.768 -5.388 410 HA ASP 60 HA ASP 60 12.019 4.443 -5.133 411 HB2 ASP 60 1HB ASP 60 14.823 3.531 -5.802 412 HB3 ASP 60 2HB ASP 60 14.313 5.217 -5.787 413 H ASN 61 H ASN 61 10.943 5.245 -6.800 414 HA ASN 61 HA ASN 61 11.512 4.220 -9.490 415 HB2 ASN 61 1HB ASN 61 9.124 5.802 -8.512 416 HB3 ASN 61 2HB ASN 61 9.312 5.087 -10.110 417 HD21 ASN 61 1HD2 ASN 61 7.481 4.700 -7.672 418 HD22 ASN 61 2HD2 ASN 61 7.424 2.982 -7.493 419 H LYS 62 H LYS 62 12.589 5.438 -10.886 420 HA LYS 62 HA LYS 62 13.146 8.216 -10.237 421 HB2 LYS 62 1HB LYS 62 14.214 6.347 -12.352 422 HB3 LYS 62 2HB LYS 62 14.663 8.045 -12.261 423 HG2 LYS 62 1HG LYS 62 15.042 6.134 -9.974 424 HG3 LYS 62 2HG LYS 62 16.267 6.414 -11.214 425 HD2 LYS 62 1HD LYS 62 15.961 8.911 -10.624 426 HD3 LYS 62 2HD LYS 62 15.196 8.309 -9.151 427 HE2 LYS 62 1HE LYS 62 17.280 6.910 -8.809 428 HE3 LYS 62 2HE LYS 62 18.015 7.855 -10.103 429 HZ1 LYS 62 1HZ LYS 62 17.395 8.620 -7.372 430 HZ2 LYS 62 2HZ LYS 62 17.075 9.795 -8.546 431 HZ3 LYS 62 3HZ LYS 62 18.634 9.155 -8.393 432 H ASP 63 H ASP 63 10.463 7.646 -10.963 433 HA ASP 63 HA ASP 63 10.278 9.064 -13.541 434 HB2 ASP 63 1HB ASP 63 8.093 7.320 -12.420 435 HB3 ASP 63 2HB ASP 63 8.297 7.894 -14.073 436 H GLY 64 H GLY 64 8.360 8.460 -10.587 437 HA2 GLY 64 1HA GLY 64 8.171 10.945 -9.548 438 HA3 GLY 64 2HA GLY 64 7.018 11.007 -10.873 439 H SER 65 H SER 65 7.711 8.195 -8.865 440 HA SER 65 HA SER 65 5.335 8.552 -7.268 441 HB2 SER 65 1HB SER 65 5.468 6.466 -9.444 442 HB3 SER 65 2HB SER 65 4.409 6.293 -8.045 443 HG SER 65 HG SER 65 4.332 8.697 -9.465 444 H CYS 66 H CYS 66 4.937 6.172 -6.184 445 HA CYS 66 HA CYS 66 7.575 5.171 -5.355 446 HB2 CYS 66 1HB CYS 66 5.293 6.074 -3.611 447 HB3 CYS 66 2HB CYS 66 6.496 4.932 -3.025 448 HG CYS 66 HG CYS 66 7.384 7.985 -4.270 449 H SER 67 H SER 67 7.743 3.004 -5.121 450 HA SER 67 HA SER 67 5.301 1.430 -5.606 451 HB2 SER 67 1HB SER 67 8.126 1.117 -6.525 452 HB3 SER 67 2HB SER 67 7.159 -0.337 -6.279 453 HG SER 67 HG SER 67 5.569 1.137 -7.601 454 H ALA 68 H ALA 68 4.725 -0.131 -4.202 455 HA ALA 68 HA ALA 68 6.634 -0.995 -2.157 456 HB1 ALA 68 1HB ALA 68 4.022 -0.601 -0.985 457 HB2 ALA 68 2HB ALA 68 5.600 -0.031 -0.440 458 HB3 ALA 68 3HB ALA 68 4.682 0.907 -1.617 459 H GLU 69 H GLU 69 6.625 -3.135 -2.014 460 HA GLU 69 HA GLU 69 4.211 -4.587 -2.877 461 HB2 GLU 69 1HB GLU 69 5.636 -6.415 -3.543 462 HB3 GLU 69 2HB GLU 69 6.227 -4.935 -4.286 463 HG2 GLU 69 1HG GLU 69 7.772 -4.865 -2.168 464 HG3 GLU 69 2HG GLU 69 7.439 -6.596 -2.139 465 H TYR 70 H TYR 70 3.502 -6.361 -1.678 466 HA TYR 70 HA TYR 70 4.828 -6.916 0.865 467 HB2 TYR 70 1HB TYR 70 2.850 -6.581 2.180 468 HB3 TYR 70 2HB TYR 70 3.123 -5.113 1.247 469 HD1 TYR 70 2HD TYR 70 0.977 -8.062 1.655 470 HD2 TYR 70 1HD TYR 70 1.591 -4.444 -0.497 471 HE1 TYR 70 2HE TYR 70 -1.312 -8.207 0.769 472 HE2 TYR 70 1HE TYR 70 -0.697 -4.578 -1.389 473 HH TYR 70 HH TYR 70 -2.850 -5.623 -0.781 474 H ILE 71 H ILE 71 4.179 -8.905 1.841 475 HA ILE 71 HA ILE 71 2.487 -10.667 0.236 476 HB ILE 71 HB ILE 71 5.334 -11.328 0.995 477 HG12 ILE 71 1HG1 ILE 71 4.106 -11.433 -1.751 478 HG13 ILE 71 2HG1 ILE 71 4.778 -9.936 -1.112 479 HG21 ILE 71 1HG2 ILE 71 4.433 -13.406 -0.533 480 HG22 ILE 71 2HG2 ILE 71 4.562 -13.416 1.225 481 HG23 ILE 71 3HG2 ILE 71 3.022 -13.032 0.456 482 HD11 ILE 71 1HD1 ILE 71 6.558 -12.237 -0.864 483 HD12 ILE 71 2HD1 ILE 71 6.158 -11.801 -2.525 484 HD13 ILE 71 3HD1 ILE 71 6.878 -10.604 -1.449 485 HA PRO 72 HA PRO 72 1.339 -11.335 4.548 486 HB2 PRO 72 1HB PRO 72 -1.030 -12.522 3.958 487 HB3 PRO 72 2HB PRO 72 -0.806 -10.769 3.950 488 HG2 PRO 72 1HG PRO 72 -0.811 -12.689 1.653 489 HG3 PRO 72 2HG PRO 72 -1.569 -11.091 1.777 490 HD2 PRO 72 1HD PRO 72 0.779 -11.493 0.491 491 HD3 PRO 72 2HD PRO 72 0.404 -9.982 1.344 492 H PHE 73 H PHE 73 0.580 -13.324 5.730 493 HA PHE 73 HA PHE 73 1.685 -15.757 4.487 494 HB2 PHE 73 1HB PHE 73 1.932 -14.808 7.346 495 HB3 PHE 73 2HB PHE 73 2.349 -16.436 6.822 496 HD1 PHE 73 1HD PHE 73 3.049 -12.913 5.802 497 HD2 PHE 73 2HD PHE 73 4.563 -16.844 6.412 498 HE1 PHE 73 1HE PHE 73 5.304 -12.134 5.201 499 HE2 PHE 73 2HE PHE 73 6.820 -16.071 5.812 500 HZ PHE 73 HZ PHE 73 7.194 -13.713 5.207 501 H ALA 74 H ALA 74 -0.980 -14.273 5.931 502 HA ALA 74 HA ALA 74 -2.399 -16.830 5.998 503 HB1 ALA 74 1HB ALA 74 -2.273 -14.871 8.277 504 HB2 ALA 74 2HB ALA 74 -3.543 -16.086 8.125 505 HB3 ALA 74 3HB ALA 74 -1.859 -16.586 8.287 506 HA PRO 75 HA PRO 75 -5.470 -14.524 3.844 507 HB2 PRO 75 1HB PRO 75 -7.612 -16.127 4.304 508 HB3 PRO 75 2HB PRO 75 -6.315 -16.556 3.182 509 HG2 PRO 75 1HG PRO 75 -6.746 -17.444 6.008 510 HG3 PRO 75 2HG PRO 75 -6.252 -18.399 4.598 511 HD2 PRO 75 1HD PRO 75 -4.487 -17.526 6.456 512 HD3 PRO 75 2HD PRO 75 -4.057 -17.712 4.744 513 H GLY 76 H GLY 76 -6.785 -12.852 4.309 514 HA2 GLY 76 1HA GLY 76 -8.796 -12.626 6.121 515 HA3 GLY 76 2HA GLY 76 -7.363 -12.268 7.073 516 H ASP 77 H ASP 77 -8.654 -10.205 7.280 517 HA ASP 77 HA ASP 77 -8.442 -8.446 4.962 518 HB2 ASP 77 1HB ASP 77 -9.446 -7.486 7.604 519 HB3 ASP 77 2HB ASP 77 -9.989 -7.074 5.979 520 H TYR 78 H TYR 78 -6.877 -6.990 4.701 521 HA TYR 78 HA TYR 78 -5.111 -6.433 6.994 522 HB2 TYR 78 1HB TYR 78 -4.470 -6.712 4.059 523 HB3 TYR 78 2HB TYR 78 -3.355 -5.984 5.210 524 HD1 TYR 78 1HD TYR 78 -5.437 -9.082 4.926 525 HD2 TYR 78 2HD TYR 78 -1.715 -7.358 6.057 526 HE1 TYR 78 1HE TYR 78 -4.585 -11.316 5.504 527 HE2 TYR 78 2HE TYR 78 -0.852 -9.587 6.637 528 HH TYR 78 HH TYR 78 -1.227 -11.813 6.450 529 H ASP 79 H ASP 79 -4.140 -4.322 7.078 530 HA ASP 79 HA ASP 79 -5.683 -2.267 5.635 531 HB2 ASP 79 1HB ASP 79 -5.019 -2.512 8.535 532 HB3 ASP 79 2HB ASP 79 -5.072 -0.901 7.826 533 H VAL 80 H VAL 80 -4.268 -1.604 4.120 534 HA VAL 80 HA VAL 80 -1.453 -1.396 4.592 535 HB VAL 80 HB VAL 80 -3.068 -0.250 2.310 536 HG11 VAL 80 1HG1 VAL 80 -0.560 0.426 2.906 537 HG12 VAL 80 2HG1 VAL 80 -0.234 -1.061 2.013 538 HG13 VAL 80 3HG1 VAL 80 -1.126 0.253 1.245 539 HG21 VAL 80 1HG2 VAL 80 -2.242 -2.302 1.105 540 HG22 VAL 80 2HG2 VAL 80 -1.767 -2.941 2.679 541 HG23 VAL 80 3HG2 VAL 80 -3.463 -2.592 2.344 542 H ASN 81 H ASN 81 -0.737 0.097 5.983 543 HA ASN 81 HA ASN 81 -2.006 2.710 6.132 544 HB2 ASN 81 1HB ASN 81 0.284 1.524 7.717 545 HB3 ASN 81 2HB ASN 81 -0.460 3.089 8.030 546 HD21 ASN 81 1HD2 ASN 81 -1.158 -0.362 7.816 547 HD22 ASN 81 2HD2 ASN 81 -2.427 -0.359 8.989 548 H ILE 82 H ILE 82 -1.353 4.362 4.938 549 HA ILE 82 HA ILE 82 1.475 4.494 4.130 550 HB ILE 82 HB ILE 82 -0.880 5.272 2.406 551 HG12 ILE 82 1HG1 ILE 82 1.083 3.122 1.711 552 HG13 ILE 82 2HG1 ILE 82 -0.229 2.753 2.825 553 HG21 ILE 82 1HG2 ILE 82 0.530 6.358 1.069 554 HG22 ILE 82 2HG2 ILE 82 1.708 6.254 2.376 555 HG23 ILE 82 3HG2 ILE 82 1.695 5.034 1.103 556 HD11 ILE 82 1HD1 ILE 82 -1.617 2.481 1.131 557 HD12 ILE 82 2HD1 ILE 82 -1.290 4.118 0.560 558 HD13 ILE 82 3HD1 ILE 82 -0.283 2.776 0.017 559 H THR 83 H THR 83 2.365 6.190 5.089 560 HA THR 83 HA THR 83 0.796 8.678 5.286 561 HB THR 83 HB THR 83 2.214 9.194 7.325 562 HG1 THR 83 1HG THR 83 3.741 7.778 7.689 563 HG21 THR 83 1HG2 THR 83 0.096 7.096 7.195 564 HG22 THR 83 2HG2 THR 83 0.036 8.713 7.895 565 HG23 THR 83 3HG2 THR 83 0.885 7.418 8.738 566 H TYR 84 H TYR 84 1.920 10.634 5.014 567 HA TYR 84 HA TYR 84 4.566 10.348 3.747 568 HB2 TYR 84 1HB TYR 84 2.495 11.072 2.338 569 HB3 TYR 84 2HB TYR 84 2.708 12.625 3.137 570 HD1 TYR 84 1HD TYR 84 5.049 10.120 1.635 571 HD2 TYR 84 2HD TYR 84 3.719 14.160 1.751 572 HE1 TYR 84 1HE TYR 84 6.767 10.727 -0.018 573 HE2 TYR 84 2HE TYR 84 5.432 14.778 0.098 574 HH TYR 84 HH TYR 84 7.705 13.844 -0.633 575 H GLY 85 H GLY 85 6.045 11.005 5.178 576 HA2 GLY 85 1HA GLY 85 7.258 12.512 6.437 577 HA3 GLY 85 2HA GLY 85 6.039 13.726 6.080 578 H GLY 86 H GLY 86 3.861 13.260 7.234 579 HA2 GLY 86 1HA GLY 86 4.033 11.902 9.762 580 HA3 GLY 86 2HA GLY 86 4.123 13.650 9.924 581 H ALA 87 H ALA 87 2.262 12.316 7.334 582 HA ALA 87 HA ALA 87 -0.225 12.614 8.857 583 HB1 ALA 87 1HB ALA 87 -1.061 13.770 6.623 584 HB2 ALA 87 2HB ALA 87 -0.339 14.695 7.940 585 HB3 ALA 87 3HB ALA 87 0.633 14.253 6.537 586 H HIS 88 H HIS 88 -2.009 11.485 7.997 587 HA HIS 88 HA HIS 88 -1.247 9.204 6.364 588 HB2 HIS 88 1HB HIS 88 -3.595 9.873 8.101 589 HB3 HIS 88 2HB HIS 88 -3.739 8.593 6.901 590 HD1 HIS 88 1HD HIS 88 -2.639 6.373 7.422 591 HD2 HIS 88 2HD HIS 88 -1.715 9.335 10.184 592 HE1 HIS 88 1HE HIS 88 -1.478 5.189 9.312 593 HE2 HIS 88 2HE HIS 88 -1.004 6.989 11.010 594 H ILE 89 H ILE 89 -1.761 8.936 4.285 595 HA ILE 89 HA ILE 89 -2.887 11.060 2.783 596 HB ILE 89 HB ILE 89 -2.688 9.625 0.855 597 HG12 ILE 89 1HG1 ILE 89 -1.883 7.331 2.628 598 HG13 ILE 89 2HG1 ILE 89 -3.567 7.587 2.185 599 HG21 ILE 89 1HG2 ILE 89 -0.595 10.438 1.228 600 HG22 ILE 89 2HG2 ILE 89 -0.481 9.720 2.834 601 HG23 ILE 89 3HG2 ILE 89 -0.257 8.716 1.401 602 HD11 ILE 89 1HD1 ILE 89 -3.233 6.554 0.265 603 HD12 ILE 89 2HD1 ILE 89 -1.975 7.713 -0.168 604 HD13 ILE 89 3HD1 ILE 89 -1.559 6.255 0.732 605 HA PRO 90 HA PRO 90 -7.193 10.200 2.908 606 HB2 PRO 90 1HB PRO 90 -7.948 11.095 0.459 607 HB3 PRO 90 2HB PRO 90 -7.488 12.178 1.778 608 HG2 PRO 90 1HG PRO 90 -5.865 11.238 -0.555 609 HG3 PRO 90 2HG PRO 90 -5.980 12.863 0.145 610 HD2 PRO 90 1HD PRO 90 -3.911 11.195 0.665 611 HD3 PRO 90 2HD PRO 90 -4.515 12.365 1.855 612 H GLY 91 H GLY 91 -7.012 7.880 2.955 613 HA2 GLY 91 1HA GLY 91 -8.518 6.431 1.281 614 HA3 GLY 91 2HA GLY 91 -6.985 6.455 0.423 615 H SER 92 H SER 92 -5.762 6.578 3.282 616 HA SER 92 HA SER 92 -5.745 3.660 3.631 617 HB2 SER 92 1HB SER 92 -3.525 4.153 3.373 618 HB3 SER 92 2HB SER 92 -3.709 5.797 3.984 619 HG SER 92 HG SER 92 -3.513 5.090 6.011 620 HA PRO 93 HA PRO 93 -4.608 2.402 5.286 621 HB2 PRO 93 1HB PRO 93 -5.913 0.372 6.531 622 HB3 PRO 93 2HB PRO 93 -4.707 1.379 7.341 623 HG2 PRO 93 1HG PRO 93 -7.693 1.558 7.433 624 HG3 PRO 93 2HG PRO 93 -6.522 1.704 8.757 625 HD2 PRO 93 1HD PRO 93 -7.673 3.857 7.586 626 HD3 PRO 93 2HD PRO 93 -6.024 3.895 8.242 627 H PHE 94 H PHE 94 -4.878 1.012 3.587 628 HA PHE 94 HA PHE 94 -7.498 1.054 2.295 629 HB2 PHE 94 1HB PHE 94 -4.741 0.324 1.304 630 HB3 PHE 94 2HB PHE 94 -6.197 0.088 0.343 631 HD1 PHE 94 2HD PHE 94 -4.337 2.720 2.202 632 HD2 PHE 94 1HD PHE 94 -6.951 1.788 -1.025 633 HE1 PHE 94 2HE PHE 94 -4.187 5.046 1.412 634 HE2 PHE 94 1HE PHE 94 -6.804 4.112 -1.820 635 HZ PHE 94 HZ PHE 94 -5.422 5.744 -0.600 636 H ARG 95 H ARG 95 -8.798 -0.534 2.972 637 HA ARG 95 HA ARG 95 -7.925 -3.025 3.973 638 HB2 ARG 95 1HB ARG 95 -10.217 -1.748 4.212 639 HB3 ARG 95 2HB ARG 95 -10.654 -2.697 2.798 640 HG2 ARG 95 1HG ARG 95 -9.687 -3.816 5.421 641 HG3 ARG 95 2HG ARG 95 -11.365 -3.763 4.878 642 HD2 ARG 95 1HD ARG 95 -9.080 -5.333 3.709 643 HD3 ARG 95 2HD ARG 95 -10.568 -5.951 4.426 644 HE ARG 95 HE ARG 95 -10.192 -5.080 1.730 645 HH11 ARG 95 1HH1 ARG 95 -12.522 -5.372 4.300 646 HH12 ARG 95 2HH1 ARG 95 -13.885 -5.441 3.233 647 HH21 ARG 95 1HH2 ARG 95 -11.978 -5.170 0.315 648 HH22 ARG 95 2HH2 ARG 95 -13.574 -5.327 0.966 649 H VAL 96 H VAL 96 -7.322 -4.827 2.967 650 HA VAL 96 HA VAL 96 -8.139 -5.237 0.171 651 HB VAL 96 HB VAL 96 -5.362 -5.808 1.211 652 HG11 VAL 96 1HG1 VAL 96 -4.946 -5.965 -1.314 653 HG12 VAL 96 2HG1 VAL 96 -5.787 -7.305 -0.534 654 HG13 VAL 96 3HG1 VAL 96 -6.697 -6.110 -1.459 655 HG21 VAL 96 1HG2 VAL 96 -6.401 -3.514 -0.441 656 HG22 VAL 96 2HG2 VAL 96 -5.592 -3.436 1.124 657 HG23 VAL 96 3HG2 VAL 96 -4.692 -3.929 -0.309 658 HA PRO 97 HA PRO 97 -9.362 -9.126 1.974 659 HB2 PRO 97 1HB PRO 97 -10.374 -10.179 -0.314 660 HB3 PRO 97 2HB PRO 97 -11.235 -8.974 0.652 661 HG2 PRO 97 1HG PRO 97 -9.609 -8.600 -1.834 662 HG3 PRO 97 2HG PRO 97 -11.169 -7.879 -1.398 663 HD2 PRO 97 1HD PRO 97 -8.828 -6.539 -1.159 664 HD3 PRO 97 2HD PRO 97 -10.197 -6.274 -0.060 665 H VAL 98 H VAL 98 -7.612 -10.347 2.458 666 HA VAL 98 HA VAL 98 -5.890 -11.331 0.314 667 HB VAL 98 HB VAL 98 -5.617 -11.601 3.311 668 HG11 VAL 98 1HG1 VAL 98 -3.421 -12.111 1.348 669 HG12 VAL 98 2HG1 VAL 98 -3.595 -12.681 3.009 670 HG13 VAL 98 3HG1 VAL 98 -4.582 -13.383 1.727 671 HG21 VAL 98 1HG2 VAL 98 -5.171 -9.380 2.963 672 HG22 VAL 98 2HG2 VAL 98 -3.571 -10.068 2.682 673 HG23 VAL 98 3HG2 VAL 98 -4.599 -9.639 1.315 674 H LYS 99 H LYS 99 -6.827 -13.017 -0.702 675 HA LYS 99 HA LYS 99 -8.198 -15.079 0.825 676 HB2 LYS 99 1HB LYS 99 -7.711 -15.039 -2.151 677 HB3 LYS 99 2HB LYS 99 -8.935 -15.945 -1.271 678 HG2 LYS 99 1HG LYS 99 -10.239 -14.053 -0.893 679 HG3 LYS 99 2HG LYS 99 -8.903 -12.951 -1.233 680 HD2 LYS 99 1HD LYS 99 -10.308 -12.841 -3.123 681 HD3 LYS 99 2HD LYS 99 -8.951 -13.862 -3.604 682 HE2 LYS 99 1HE LYS 99 -10.222 -15.783 -3.600 683 HE3 LYS 99 2HE LYS 99 -11.393 -15.131 -2.454 684 HZ1 LYS 99 1HZ LYS 99 -11.134 -14.463 -5.332 685 HZ2 LYS 99 2HZ LYS 99 -12.123 -13.605 -4.262 686 HZ3 LYS 99 3HZ LYS 99 -12.429 -15.240 -4.570 687 H ASP 100 H ASP 100 -7.700 -17.377 0.397 688 HA ASP 100 HA ASP 100 -4.790 -17.770 0.277 689 HB2 ASP 100 1HB ASP 100 -5.513 -20.070 1.306 690 HB3 ASP 100 2HB ASP 100 -5.451 -18.633 2.323 691 H VAL 101 H VAL 101 -3.897 -18.914 -1.321 692 HA VAL 101 HA VAL 101 -5.079 -19.508 -3.691 693 HB VAL 101 HB VAL 101 -2.823 -21.048 -2.399 694 HG11 VAL 101 1HG1 VAL 101 -3.448 -20.856 -5.338 695 HG12 VAL 101 2HG1 VAL 101 -2.252 -21.883 -4.545 696 HG13 VAL 101 3HG1 VAL 101 -3.973 -22.200 -4.324 697 HG21 VAL 101 1HG2 VAL 101 -2.258 -18.737 -2.557 698 HG22 VAL 101 2HG2 VAL 101 -1.423 -19.574 -3.866 699 HG23 VAL 101 3HG2 VAL 101 -2.878 -18.637 -4.205 700 H VAL 102 H VAL 102 -4.715 -21.748 -0.955 701 HA VAL 102 HA VAL 102 -7.079 -23.191 -1.833 702 HB VAL 102 HB VAL 102 -5.278 -24.359 -3.015 703 HG11 VAL 102 1HG1 VAL 102 -3.295 -24.846 -2.116 704 HG12 VAL 102 2HG1 VAL 102 -3.768 -23.804 -0.772 705 HG13 VAL 102 3HG1 VAL 102 -4.032 -25.546 -0.674 706 HG21 VAL 102 1HG2 VAL 102 -7.293 -25.500 -1.779 707 HG22 VAL 102 2HG2 VAL 102 -6.037 -26.474 -2.543 708 HG23 VAL 102 3HG2 VAL 102 -6.011 -26.212 -0.799 709 H ASP 103 H ASP 103 -7.971 -24.560 -0.208 710 HA ASP 103 HA ASP 103 -7.100 -23.812 2.495 711 HB2 ASP 103 1HB ASP 103 -9.749 -24.778 1.418 712 HB3 ASP 103 2HB ASP 103 -9.408 -24.653 3.142 713 HA PRO 104 HA PRO 104 -5.656 -27.905 3.252 714 HB2 PRO 104 1HB PRO 104 -5.709 -27.855 5.966 715 HB3 PRO 104 2HB PRO 104 -4.491 -27.000 5.013 716 HG2 PRO 104 1HG PRO 104 -6.983 -25.942 6.289 717 HG3 PRO 104 2HG PRO 104 -5.361 -25.228 6.243 718 HD2 PRO 104 1HD PRO 104 -7.353 -24.424 4.595 719 HD3 PRO 104 2HD PRO 104 -5.646 -24.407 4.108 720 H SER 105 H SER 105 -6.687 -29.796 3.183 721 HA SER 105 HA SER 105 -9.455 -30.045 3.647 722 HB2 SER 105 1HB SER 105 -9.131 -32.429 3.225 723 HB3 SER 105 2HB SER 105 -8.191 -31.481 2.074 724 HG SER 105 HG SER 105 -6.349 -31.884 3.333 Start of MODEL 14 1 H1 GLY 1 H GLY 1 14.002 34.266 3.911 2 HA2 GLY 1 1HA GLY 1 12.287 33.793 2.397 3 HA3 GLY 1 2HA GLY 1 11.354 34.343 3.780 4 H SER 2 H SER 2 10.725 36.594 3.860 5 HA SER 2 HA SER 2 9.659 38.377 2.925 6 HB2 SER 2 1HB SER 2 12.284 38.240 1.514 7 HB3 SER 2 2HB SER 2 11.072 39.363 0.899 8 HG SER 2 HG SER 2 11.727 39.285 3.641 9 H SER 3 H SER 3 8.606 35.982 2.100 10 HA SER 3 HA SER 3 7.176 35.102 0.564 11 HB2 SER 3 1HB SER 3 6.284 37.403 0.453 12 HB3 SER 3 2HB SER 3 7.460 37.790 -0.804 13 HG SER 3 HG SER 3 6.408 36.506 -2.207 14 H GLY 4 H GLY 4 9.879 34.481 0.306 15 HA2 GLY 4 1HA GLY 4 10.475 34.625 -2.556 16 HA3 GLY 4 2HA GLY 4 11.566 34.066 -1.297 17 H SER 5 H SER 5 10.481 32.064 -0.071 18 HA SER 5 HA SER 5 9.845 30.136 -2.201 19 HB2 SER 5 1HB SER 5 10.769 28.415 -0.721 20 HB3 SER 5 2HB SER 5 11.946 29.703 -0.979 21 HG SER 5 HG SER 5 10.557 28.988 1.322 22 H SER 6 H SER 6 8.200 28.624 -1.918 23 HA SER 6 HA SER 6 6.555 28.711 0.464 24 HB2 SER 6 1HB SER 6 5.803 30.591 -1.134 25 HB3 SER 6 2HB SER 6 5.200 29.292 -2.163 26 HG SER 6 HG SER 6 3.762 30.302 -0.456 27 H GLY 7 H GLY 7 6.325 26.622 0.904 28 HA2 GLY 7 1HA GLY 7 5.420 24.838 -1.249 29 HA3 GLY 7 2HA GLY 7 6.819 24.374 -0.291 30 H GLY 8 H GLY 8 5.950 22.566 0.651 31 HA2 GLY 8 1HA GLY 8 4.933 22.319 3.005 32 HA3 GLY 8 2HA GLY 8 3.483 22.925 2.218 33 H CYS 9 H CYS 9 4.326 20.280 3.509 34 HA CYS 9 HA CYS 9 4.227 18.357 1.390 35 HB2 CYS 9 1HB CYS 9 4.113 16.694 3.162 36 HB3 CYS 9 2HB CYS 9 5.339 17.895 3.550 37 HG CYS 9 HG CYS 9 2.358 18.647 4.836 38 H GLN 10 H GLN 10 2.496 17.603 0.370 39 HA GLN 10 HA GLN 10 -0.144 18.005 1.616 40 HB2 GLN 10 1HB GLN 10 0.762 18.312 -1.227 41 HB3 GLN 10 2HB GLN 10 -0.919 17.939 -0.869 42 HG2 GLN 10 1HG GLN 10 -0.748 19.980 0.732 43 HG3 GLN 10 2HG GLN 10 0.644 20.404 -0.264 44 HE21 GLN 10 1HE2 GLN 10 0.016 22.003 -1.534 45 HE22 GLN 10 2HE2 GLN 10 -1.415 22.023 -2.502 46 HA PRO 11 HA PRO 11 0.256 13.476 1.299 47 HB2 PRO 11 1HB PRO 11 -1.475 12.979 3.331 48 HB3 PRO 11 2HB PRO 11 0.230 13.367 3.594 49 HG2 PRO 11 1HG PRO 11 -2.170 15.147 3.782 50 HG3 PRO 11 2HG PRO 11 -0.769 15.041 4.863 51 HD2 PRO 11 1HD PRO 11 -1.022 16.983 2.993 52 HD3 PRO 11 2HD PRO 11 0.554 16.326 3.481 53 H SER 12 H SER 12 -2.206 15.688 0.700 54 HA SER 12 HA SER 12 -4.308 13.764 0.216 55 HB2 SER 12 1HB SER 12 -5.526 15.775 -0.697 56 HB3 SER 12 2HB SER 12 -5.002 15.933 0.979 57 HG SER 12 HG SER 12 -4.396 17.797 -0.004 58 H ARG 13 H ARG 13 -2.072 15.722 -1.697 59 HA ARG 13 HA ARG 13 -3.087 15.133 -4.237 60 HB2 ARG 13 1HB ARG 13 -0.229 15.693 -3.419 61 HB3 ARG 13 2HB ARG 13 -0.841 15.743 -5.068 62 HG2 ARG 13 1HG ARG 13 -2.190 17.428 -3.031 63 HG3 ARG 13 2HG ARG 13 -0.595 17.921 -3.604 64 HD2 ARG 13 1HD ARG 13 -1.887 18.983 -5.152 65 HD3 ARG 13 2HD ARG 13 -1.695 17.427 -5.960 66 HE ARG 13 HE ARG 13 -3.928 16.997 -5.614 67 HH11 ARG 13 1HH1 ARG 13 -2.960 19.773 -3.749 68 HH12 ARG 13 2HH1 ARG 13 -4.580 20.213 -3.320 69 HH21 ARG 13 1HH2 ARG 13 -6.065 17.566 -5.056 70 HH22 ARG 13 2HH2 ARG 13 -6.346 18.956 -4.063 71 H VAL 14 H VAL 14 -1.364 13.179 -2.007 72 HA VAL 14 HA VAL 14 -0.090 11.379 -3.750 73 HB VAL 14 HB VAL 14 -1.238 10.733 -1.032 74 HG11 VAL 14 1HG1 VAL 14 0.057 8.851 -1.011 75 HG12 VAL 14 2HG1 VAL 14 -0.286 8.953 -2.739 76 HG13 VAL 14 3HG1 VAL 14 1.257 9.530 -2.109 77 HG21 VAL 14 1HG2 VAL 14 1.601 11.541 -1.463 78 HG22 VAL 14 2HG2 VAL 14 0.360 12.786 -1.322 79 HG23 VAL 14 3HG2 VAL 14 0.612 11.640 -0.006 80 H GLN 15 H GLN 15 -0.721 9.447 -4.655 81 HA GLN 15 HA GLN 15 -3.545 8.688 -4.400 82 HB2 GLN 15 1HB GLN 15 -2.063 8.879 -7.027 83 HB3 GLN 15 2HB GLN 15 -3.729 8.359 -6.808 84 HG2 GLN 15 1HG GLN 15 -4.257 10.614 -5.918 85 HG3 GLN 15 2HG GLN 15 -2.612 11.108 -6.316 86 HE21 GLN 15 1HE2 GLN 15 -2.100 11.603 -8.384 87 HE22 GLN 15 2HE2 GLN 15 -3.236 11.611 -9.686 88 H ALA 16 H ALA 16 -3.870 6.560 -4.170 89 HA ALA 16 HA ALA 16 -1.654 4.737 -4.839 90 HB1 ALA 16 1HB ALA 16 -1.822 5.164 -2.394 91 HB2 ALA 16 2HB ALA 16 -3.441 4.466 -2.428 92 HB3 ALA 16 3HB ALA 16 -2.044 3.472 -2.841 93 H GLN 17 H GLN 17 -2.236 3.268 -6.286 94 HA GLN 17 HA GLN 17 -4.896 2.079 -6.159 95 HB2 GLN 17 1HB GLN 17 -5.290 2.388 -8.552 96 HB3 GLN 17 2HB GLN 17 -5.133 3.938 -7.736 97 HG2 GLN 17 1HG GLN 17 -2.616 3.676 -8.476 98 HG3 GLN 17 2HG GLN 17 -3.336 2.635 -9.703 99 HE21 GLN 17 1HE2 GLN 17 -2.641 4.139 -11.282 100 HE22 GLN 17 2HE2 GLN 17 -3.516 5.603 -11.558 101 H GLY 18 H GLY 18 -5.079 0.142 -7.563 102 HA2 GLY 18 1HA GLY 18 -3.607 -1.329 -9.039 103 HA3 GLY 18 2HA GLY 18 -2.466 -1.218 -7.708 104 HA PRO 19 HA PRO 19 -5.210 -4.971 -7.175 105 HB2 PRO 19 1HB PRO 19 -3.184 -6.771 -7.021 106 HB3 PRO 19 2HB PRO 19 -3.928 -6.291 -8.551 107 HG2 PRO 19 1HG PRO 19 -1.377 -5.340 -7.304 108 HG3 PRO 19 2HG PRO 19 -1.708 -5.760 -8.995 109 HD2 PRO 19 1HD PRO 19 -1.636 -3.200 -8.116 110 HD3 PRO 19 2HD PRO 19 -2.699 -3.726 -9.437 111 H GLY 20 H GLY 20 -2.009 -4.408 -5.693 112 HA2 GLY 20 1HA GLY 20 -2.414 -5.735 -3.296 113 HA3 GLY 20 2HA GLY 20 -1.360 -4.342 -3.491 114 H LEU 21 H LEU 21 -4.005 -2.944 -4.408 115 HA LEU 21 HA LEU 21 -4.802 -2.202 -1.677 116 HB2 LEU 21 1HB LEU 21 -5.188 -0.646 -4.228 117 HB3 LEU 21 2HB LEU 21 -5.514 -0.084 -2.590 118 HG LEU 21 HG LEU 21 -2.785 -0.731 -3.705 119 HD11 LEU 21 1HD1 LEU 21 -3.514 2.010 -2.897 120 HD12 LEU 21 2HD1 LEU 21 -4.246 1.414 -4.387 121 HD13 LEU 21 3HD1 LEU 21 -2.491 1.446 -4.218 122 HD21 LEU 21 1HD2 LEU 21 -2.166 -0.841 -1.573 123 HD22 LEU 21 2HD2 LEU 21 -3.773 -0.370 -1.019 124 HD23 LEU 21 3HD2 LEU 21 -2.585 0.867 -1.430 125 H LYS 22 H LYS 22 -5.951 -3.395 -4.730 126 HA LYS 22 HA LYS 22 -8.744 -3.110 -3.975 127 HB2 LYS 22 1HB LYS 22 -7.330 -4.111 -6.433 128 HB3 LYS 22 2HB LYS 22 -9.053 -4.378 -6.204 129 HG2 LYS 22 1HG LYS 22 -9.329 -1.914 -5.955 130 HG3 LYS 22 2HG LYS 22 -7.628 -1.735 -6.393 131 HD2 LYS 22 1HD LYS 22 -8.787 -1.415 -8.404 132 HD3 LYS 22 2HD LYS 22 -8.217 -3.083 -8.488 133 HE2 LYS 22 1HE LYS 22 -10.512 -3.681 -7.477 134 HE3 LYS 22 2HE LYS 22 -10.987 -2.057 -7.970 135 HZ1 LYS 22 1HZ LYS 22 -10.817 -4.377 -9.540 136 HZ2 LYS 22 2HZ LYS 22 -9.696 -3.257 -10.130 137 HZ3 LYS 22 3HZ LYS 22 -11.327 -2.831 -10.000 138 H GLU 23 H GLU 23 -6.598 -5.805 -4.912 139 HA GLU 23 HA GLU 23 -7.961 -7.498 -2.956 140 HB2 GLU 23 1HB GLU 23 -9.185 -8.222 -4.778 141 HB3 GLU 23 2HB GLU 23 -7.868 -7.941 -5.908 142 HG2 GLU 23 1HG GLU 23 -6.793 -9.929 -5.339 143 HG3 GLU 23 2HG GLU 23 -7.703 -10.098 -3.839 144 H ALA 24 H ALA 24 -6.740 -9.303 -2.258 145 HA ALA 24 HA ALA 24 -3.986 -9.507 -3.215 146 HB1 ALA 24 1HB ALA 24 -3.387 -9.637 -0.649 147 HB2 ALA 24 2HB ALA 24 -3.443 -8.094 -1.504 148 HB3 ALA 24 3HB ALA 24 -4.806 -8.600 -0.505 149 H PHE 25 H PHE 25 -2.849 -11.375 -2.034 150 HA PHE 25 HA PHE 25 -4.710 -13.496 -1.264 151 HB2 PHE 25 1HB PHE 25 -2.910 -13.505 -3.648 152 HB3 PHE 25 2HB PHE 25 -3.152 -15.012 -2.771 153 HD1 PHE 25 2HD PHE 25 -4.767 -12.420 -4.800 154 HD2 PHE 25 1HD PHE 25 -5.252 -16.163 -2.832 155 HE1 PHE 25 2HE PHE 25 -6.877 -12.780 -6.012 156 HE2 PHE 25 1HE PHE 25 -7.363 -16.530 -4.042 157 HZ PHE 25 HZ PHE 25 -8.179 -14.836 -5.633 158 H THR 26 H THR 26 -3.589 -15.384 -0.324 159 HA THR 26 HA THR 26 -1.583 -14.516 1.526 160 HB THR 26 HB THR 26 -1.640 -16.877 2.337 161 HG1 THR 26 1HG THR 26 -3.780 -17.796 1.153 162 HG21 THR 26 1HG2 THR 26 -4.277 -16.760 2.738 163 HG22 THR 26 2HG2 THR 26 -4.025 -15.123 2.130 164 HG23 THR 26 3HG2 THR 26 -3.149 -15.680 3.556 165 H ASN 27 H ASN 27 0.567 -14.841 1.494 166 HA ASN 27 HA ASN 27 2.640 -15.297 0.675 167 HB2 ASN 27 1HB ASN 27 1.230 -17.847 -0.136 168 HB3 ASN 27 2HB ASN 27 2.974 -17.617 -0.215 169 HD21 ASN 27 1HD2 ASN 27 0.342 -17.094 2.112 170 HD22 ASN 27 2HD2 ASN 27 1.180 -17.768 3.465 171 H LYS 28 H LYS 28 0.942 -13.746 -0.990 172 HA LYS 28 HA LYS 28 2.049 -14.447 -3.627 173 HB2 LYS 28 1HB LYS 28 -0.729 -13.574 -2.905 174 HB3 LYS 28 2HB LYS 28 -0.072 -13.194 -4.492 175 HG2 LYS 28 1HG LYS 28 0.495 -15.784 -4.459 176 HG3 LYS 28 2HG LYS 28 -0.870 -15.803 -3.339 177 HD2 LYS 28 1HD LYS 28 -1.988 -16.071 -5.315 178 HD3 LYS 28 2HD LYS 28 -1.973 -14.308 -5.220 179 HE2 LYS 28 1HE LYS 28 -1.332 -14.953 -7.437 180 HE3 LYS 28 2HE LYS 28 0.089 -14.314 -6.612 181 HZ1 LYS 28 1HZ LYS 28 -0.311 -17.182 -6.403 182 HZ2 LYS 28 2HZ LYS 28 1.112 -16.301 -6.649 183 HZ3 LYS 28 3HZ LYS 28 0.074 -16.611 -7.948 184 HA PRO 29 HA PRO 29 3.814 -10.414 -3.541 185 HB2 PRO 29 1HB PRO 29 4.214 -10.069 -6.204 186 HB3 PRO 29 2HB PRO 29 5.203 -11.151 -5.216 187 HG2 PRO 29 1HG PRO 29 2.902 -11.804 -7.016 188 HG3 PRO 29 2HG PRO 29 4.449 -12.649 -6.827 189 HD2 PRO 29 1HD PRO 29 2.165 -13.512 -5.656 190 HD3 PRO 29 2HD PRO 29 3.763 -13.742 -4.917 191 H ASN 30 H ASN 30 2.459 -8.801 -2.987 192 HA ASN 30 HA ASN 30 0.499 -7.901 -4.995 193 HB2 ASN 30 1HB ASN 30 0.241 -7.207 -2.091 194 HB3 ASN 30 2HB ASN 30 -1.013 -7.344 -3.320 195 HD21 ASN 30 1HD2 ASN 30 0.822 -8.966 -0.927 196 HD22 ASN 30 2HD2 ASN 30 0.052 -10.507 -1.061 197 H VAL 31 H VAL 31 0.851 -5.968 -5.857 198 HA VAL 31 HA VAL 31 2.349 -3.966 -4.309 199 HB VAL 31 HB VAL 31 3.640 -3.305 -6.228 200 HG11 VAL 31 1HG1 VAL 31 4.358 -5.272 -4.785 201 HG12 VAL 31 2HG1 VAL 31 3.851 -6.302 -6.125 202 HG13 VAL 31 3HG1 VAL 31 5.136 -5.117 -6.360 203 HG21 VAL 31 1HG2 VAL 31 2.537 -5.584 -7.830 204 HG22 VAL 31 2HG2 VAL 31 1.751 -4.005 -7.838 205 HG23 VAL 31 3HG2 VAL 31 3.421 -4.162 -8.383 206 H PHE 32 H PHE 32 2.192 -1.758 -5.411 207 HA PHE 32 HA PHE 32 -0.190 -1.323 -6.992 208 HB2 PHE 32 1HB PHE 32 -1.055 0.368 -5.279 209 HB3 PHE 32 2HB PHE 32 -1.297 -1.335 -4.905 210 HD1 PHE 32 2HD PHE 32 -0.028 -2.414 -3.134 211 HD2 PHE 32 1HD PHE 32 0.450 1.728 -3.992 212 HE1 PHE 32 2HE PHE 32 1.106 -2.101 -0.974 213 HE2 PHE 32 1HE PHE 32 1.585 2.047 -1.833 214 HZ PHE 32 HZ PHE 32 1.914 0.132 -0.320 215 H THR 33 H THR 33 -0.395 0.895 -7.720 216 HA THR 33 HA THR 33 2.218 2.138 -8.029 217 HB THR 33 HB THR 33 -0.413 2.849 -9.341 218 HG1 THR 33 1HG THR 33 1.717 1.629 -10.701 219 HG21 THR 33 1HG2 THR 33 2.391 3.857 -9.652 220 HG22 THR 33 2HG2 THR 33 0.883 4.766 -9.553 221 HG23 THR 33 3HG2 THR 33 1.282 3.876 -11.022 222 H VAL 34 H VAL 34 2.849 3.923 -6.999 223 HA VAL 34 HA VAL 34 0.804 5.514 -5.591 224 HB VAL 34 HB VAL 34 3.644 4.973 -4.713 225 HG11 VAL 34 1HG1 VAL 34 3.201 7.136 -3.970 226 HG12 VAL 34 2HG1 VAL 34 1.502 6.780 -3.650 227 HG13 VAL 34 3HG1 VAL 34 2.755 6.128 -2.593 228 HG21 VAL 34 1HG2 VAL 34 0.980 3.981 -3.728 229 HG22 VAL 34 2HG2 VAL 34 2.360 3.032 -4.284 230 HG23 VAL 34 3HG2 VAL 34 2.449 3.905 -2.754 231 H VAL 35 H VAL 35 0.540 7.323 -6.741 232 HA VAL 35 HA VAL 35 2.817 8.571 -8.066 233 HB VAL 35 HB VAL 35 -0.106 9.335 -8.105 234 HG11 VAL 35 1HG1 VAL 35 2.200 10.793 -8.878 235 HG12 VAL 35 2HG1 VAL 35 1.344 10.312 -10.345 236 HG13 VAL 35 3HG1 VAL 35 0.504 11.226 -9.091 237 HG21 VAL 35 1HG2 VAL 35 0.154 7.222 -9.173 238 HG22 VAL 35 2HG2 VAL 35 0.018 8.435 -10.446 239 HG23 VAL 35 3HG2 VAL 35 1.596 7.764 -10.032 240 H THR 36 H THR 36 4.002 10.006 -7.007 241 HA THR 36 HA THR 36 2.661 11.828 -5.121 242 HB THR 36 HB THR 36 4.834 11.822 -3.809 243 HG1 THR 36 1HG THR 36 6.341 10.767 -4.905 244 HG21 THR 36 1HG2 THR 36 3.776 10.469 -2.381 245 HG22 THR 36 2HG2 THR 36 3.964 9.083 -3.454 246 HG23 THR 36 3HG2 THR 36 2.595 10.175 -3.656 247 H ARG 37 H ARG 37 3.182 12.351 -7.855 248 HA ARG 37 HA ARG 37 5.579 13.954 -8.022 249 HB2 ARG 37 1HB ARG 37 4.757 14.503 -10.295 250 HB3 ARG 37 2HB ARG 37 4.854 12.771 -10.002 251 HG2 ARG 37 1HG ARG 37 2.814 12.823 -10.967 252 HG3 ARG 37 2HG ARG 37 2.311 13.159 -9.309 253 HD2 ARG 37 1HD ARG 37 2.444 15.587 -9.827 254 HD3 ARG 37 2HD ARG 37 2.790 15.169 -11.504 255 HE ARG 37 HE ARG 37 0.576 14.590 -11.797 256 HH11 ARG 37 1HH1 ARG 37 1.231 15.164 -8.427 257 HH12 ARG 37 2HH1 ARG 37 -0.439 15.170 -7.968 258 HH21 ARG 37 1HH2 ARG 37 -1.627 14.595 -11.206 259 HH22 ARG 37 2HH2 ARG 37 -2.065 14.845 -9.550 260 H GLY 38 H GLY 38 3.099 14.523 -6.226 261 HA2 GLY 38 1HA GLY 38 3.144 17.408 -6.737 262 HA3 GLY 38 2HA GLY 38 1.580 16.610 -6.668 263 H ALA 39 H ALA 39 2.329 14.745 -4.589 264 HA ALA 39 HA ALA 39 1.432 15.916 -2.332 265 HB1 ALA 39 1HB ALA 39 2.177 13.470 -2.787 266 HB2 ALA 39 2HB ALA 39 3.700 13.988 -2.063 267 HB3 ALA 39 3HB ALA 39 2.203 14.095 -1.138 268 H GLY 40 H GLY 40 4.925 15.535 -2.997 269 HA2 GLY 40 1HA GLY 40 5.898 17.993 -2.597 270 HA3 GLY 40 2HA GLY 40 5.539 17.503 -0.947 271 H ILE 41 H ILE 41 7.659 17.478 -0.255 272 HA ILE 41 HA ILE 41 9.272 15.260 -1.318 273 HB ILE 41 HB ILE 41 10.372 17.955 -0.512 274 HG12 ILE 41 1HG1 ILE 41 10.519 16.739 -3.257 275 HG13 ILE 41 2HG1 ILE 41 9.121 17.690 -2.769 276 HG21 ILE 41 1HG2 ILE 41 12.185 16.709 -0.057 277 HG22 ILE 41 2HG2 ILE 41 11.585 15.324 -0.968 278 HG23 ILE 41 3HG2 ILE 41 12.372 16.659 -1.810 279 HD11 ILE 41 1HD1 ILE 41 10.213 19.522 -3.333 280 HD12 ILE 41 2HD1 ILE 41 11.411 19.179 -2.085 281 HD13 ILE 41 3HD1 ILE 41 11.648 18.574 -3.724 282 H GLY 42 H GLY 42 8.865 13.878 0.364 283 HA2 GLY 42 1HA GLY 42 10.231 14.487 2.853 284 HA3 GLY 42 2HA GLY 42 8.497 14.242 2.995 285 H GLY 43 H GLY 43 9.606 12.529 4.470 286 HA2 GLY 43 1HA GLY 43 10.457 10.160 2.997 287 HA3 GLY 43 2HA GLY 43 10.455 10.357 4.744 288 H LEU 44 H LEU 44 9.000 8.794 2.224 289 HA LEU 44 HA LEU 44 6.339 8.670 3.381 290 HB2 LEU 44 1HB LEU 44 6.515 8.733 0.979 291 HB3 LEU 44 2HB LEU 44 7.571 7.322 0.984 292 HG LEU 44 HG LEU 44 5.579 6.057 1.974 293 HD11 LEU 44 1HD1 LEU 44 3.499 6.966 1.999 294 HD12 LEU 44 2HD1 LEU 44 3.839 8.069 0.666 295 HD13 LEU 44 3HD1 LEU 44 4.433 8.434 2.286 296 HD21 LEU 44 1HD2 LEU 44 5.057 5.324 -0.110 297 HD22 LEU 44 2HD2 LEU 44 6.487 6.271 -0.522 298 HD23 LEU 44 3HD2 LEU 44 4.878 6.953 -0.762 299 H GLY 45 H GLY 45 5.394 6.834 4.273 300 HA2 GLY 45 1HA GLY 45 7.185 4.556 4.798 301 HA3 GLY 45 2HA GLY 45 6.359 5.343 6.135 302 H ILE 46 H ILE 46 6.184 2.922 3.801 303 HA ILE 46 HA ILE 46 3.271 2.662 4.126 304 HB ILE 46 HB ILE 46 5.050 1.295 2.104 305 HG12 ILE 46 1HG1 ILE 46 3.074 3.525 1.611 306 HG13 ILE 46 2HG1 ILE 46 4.791 3.811 1.871 307 HG21 ILE 46 1HG2 ILE 46 3.321 -0.069 1.811 308 HG22 ILE 46 2HG2 ILE 46 2.341 0.848 2.955 309 HG23 ILE 46 3HG2 ILE 46 2.385 1.319 1.256 310 HD11 ILE 46 1HD1 ILE 46 5.385 2.799 -0.131 311 HD12 ILE 46 2HD1 ILE 46 3.847 1.946 -0.267 312 HD13 ILE 46 3HD1 ILE 46 3.916 3.688 -0.531 313 H THR 47 H THR 47 2.482 1.087 5.356 314 HA THR 47 HA THR 47 4.140 -1.279 5.889 315 HB THR 47 HB THR 47 3.343 -1.247 8.265 316 HG1 THR 47 1HG THR 47 1.764 0.154 8.550 317 HG21 THR 47 1HG2 THR 47 5.039 1.066 7.319 318 HG22 THR 47 2HG2 THR 47 5.597 -0.542 7.781 319 HG23 THR 47 3HG2 THR 47 4.918 0.539 8.997 320 H VAL 48 H VAL 48 2.840 -3.060 6.913 321 HA VAL 48 HA VAL 48 0.028 -2.989 6.046 322 HB VAL 48 HB VAL 48 1.995 -5.232 5.576 323 HG11 VAL 48 1HG1 VAL 48 0.297 -6.660 5.613 324 HG12 VAL 48 2HG1 VAL 48 -0.817 -5.353 6.021 325 HG13 VAL 48 3HG1 VAL 48 -0.492 -5.741 4.331 326 HG21 VAL 48 1HG2 VAL 48 0.604 -3.257 3.813 327 HG22 VAL 48 2HG2 VAL 48 2.299 -3.744 3.827 328 HG23 VAL 48 3HG2 VAL 48 1.073 -4.835 3.181 329 H GLU 49 H GLU 49 -1.419 -3.887 7.417 330 HA GLU 49 HA GLU 49 -0.350 -5.272 9.789 331 HB2 GLU 49 1HB GLU 49 -2.628 -3.294 9.625 332 HB3 GLU 49 2HB GLU 49 -2.279 -4.273 11.043 333 HG2 GLU 49 1HG GLU 49 0.069 -3.227 10.918 334 HG3 GLU 49 2HG GLU 49 -0.688 -2.033 9.866 335 H GLY 50 H GLY 50 -1.150 -7.236 10.171 336 HA2 GLY 50 1HA GLY 50 -3.860 -7.941 9.497 337 HA3 GLY 50 2HA GLY 50 -2.669 -8.706 8.456 338 HA PRO 51 HA PRO 51 -3.380 -11.341 12.245 339 HB2 PRO 51 1HB PRO 51 -3.947 -13.617 10.878 340 HB3 PRO 51 2HB PRO 51 -5.178 -12.427 11.314 341 HG2 PRO 51 1HG PRO 51 -3.759 -12.817 8.707 342 HG3 PRO 51 2HG PRO 51 -5.477 -12.494 9.008 343 HD2 PRO 51 1HD PRO 51 -3.743 -10.561 8.237 344 HD3 PRO 51 2HD PRO 51 -5.129 -10.234 9.298 345 H SER 52 H SER 52 -1.183 -10.969 9.819 346 HA SER 52 HA SER 52 0.775 -12.597 11.148 347 HB2 SER 52 1HB SER 52 1.326 -14.059 9.318 348 HB3 SER 52 2HB SER 52 -0.400 -14.227 9.633 349 HG SER 52 HG SER 52 -0.759 -13.577 7.678 350 H GLU 53 H GLU 53 2.898 -12.062 10.583 351 HA GLU 53 HA GLU 53 3.267 -9.426 9.618 352 HB2 GLU 53 1HB GLU 53 4.760 -10.461 11.275 353 HB3 GLU 53 2HB GLU 53 5.310 -11.609 10.063 354 HG2 GLU 53 1HG GLU 53 6.523 -10.022 8.912 355 HG3 GLU 53 2HG GLU 53 5.582 -8.681 9.563 356 H SER 54 H SER 54 3.399 -8.720 7.601 357 HA SER 54 HA SER 54 3.833 -10.663 5.449 358 HB2 SER 54 1HB SER 54 2.829 -7.814 5.252 359 HB3 SER 54 2HB SER 54 2.833 -9.021 3.965 360 HG SER 54 HG SER 54 1.305 -9.021 6.351 361 H LYS 55 H LYS 55 5.422 -10.421 3.914 362 HA LYS 55 HA LYS 55 7.744 -8.934 4.728 363 HB2 LYS 55 1HB LYS 55 7.099 -10.917 2.602 364 HB3 LYS 55 2HB LYS 55 8.484 -9.865 2.340 365 HG2 LYS 55 1HG LYS 55 9.266 -10.606 4.652 366 HG3 LYS 55 2HG LYS 55 8.053 -11.880 4.517 367 HD2 LYS 55 1HD LYS 55 9.228 -12.224 2.162 368 HD3 LYS 55 2HD LYS 55 10.589 -11.494 3.016 369 HE2 LYS 55 1HE LYS 55 9.099 -13.688 4.360 370 HE3 LYS 55 2HE LYS 55 10.167 -14.110 3.022 371 HZ1 LYS 55 1HZ LYS 55 11.837 -14.028 4.454 372 HZ2 LYS 55 2HZ LYS 55 10.838 -13.446 5.689 373 HZ3 LYS 55 3HZ LYS 55 11.587 -12.363 4.627 374 H ILE 56 H ILE 56 7.433 -6.763 4.523 375 HA ILE 56 HA ILE 56 6.404 -5.685 2.018 376 HB ILE 56 HB ILE 56 7.069 -4.438 4.673 377 HG12 ILE 56 1HG1 ILE 56 4.517 -4.368 3.058 378 HG13 ILE 56 2HG1 ILE 56 4.866 -5.615 4.250 379 HG21 ILE 56 1HG2 ILE 56 6.033 -2.361 3.348 380 HG22 ILE 56 2HG2 ILE 56 7.766 -2.662 3.454 381 HG23 ILE 56 3HG2 ILE 56 6.871 -3.156 2.016 382 HD11 ILE 56 1HD1 ILE 56 5.302 -3.391 5.714 383 HD12 ILE 56 2HD1 ILE 56 4.041 -2.828 4.617 384 HD13 ILE 56 3HD1 ILE 56 3.761 -4.244 5.629 385 H ASN 57 H ASN 57 7.557 -4.349 0.644 386 HA ASN 57 HA ASN 57 10.338 -3.749 1.203 387 HB2 ASN 57 1HB ASN 57 9.492 -5.635 -0.995 388 HB3 ASN 57 2HB ASN 57 11.029 -4.777 -1.026 389 HD21 ASN 57 1HD2 ASN 57 9.560 -7.588 -0.181 390 HD22 ASN 57 2HD2 ASN 57 10.701 -8.175 0.976 391 H CYS 58 H CYS 58 10.428 -1.657 0.736 392 HA CYS 58 HA CYS 58 8.790 -0.573 -1.423 393 HB2 CYS 58 1HB CYS 58 10.207 0.580 0.939 394 HB3 CYS 58 2HB CYS 58 9.908 1.623 -0.446 395 HG CYS 58 HG CYS 58 7.901 2.174 1.349 396 H ARG 59 H ARG 59 9.659 0.736 -3.087 397 HA ARG 59 HA ARG 59 12.542 0.363 -3.563 398 HB2 ARG 59 1HB ARG 59 10.845 -1.049 -4.963 399 HB3 ARG 59 2HB ARG 59 10.579 0.460 -5.825 400 HG2 ARG 59 1HG ARG 59 12.734 0.507 -6.674 401 HG3 ARG 59 2HG ARG 59 13.349 -0.593 -5.439 402 HD2 ARG 59 1HD ARG 59 12.275 -2.457 -6.444 403 HD3 ARG 59 2HD ARG 59 11.339 -1.420 -7.520 404 HE ARG 59 HE ARG 59 14.007 -2.359 -7.927 405 HH11 ARG 59 1HH1 ARG 59 11.808 0.256 -8.593 406 HH12 ARG 59 2HH1 ARG 59 12.625 0.749 -10.039 407 HH21 ARG 59 1HH2 ARG 59 15.092 -1.720 -9.829 408 HH22 ARG 59 2HH2 ARG 59 14.493 -0.377 -10.742 409 H ASP 60 H ASP 60 13.568 1.990 -4.845 410 HA ASP 60 HA ASP 60 12.307 4.607 -4.511 411 HB2 ASP 60 1HB ASP 60 15.147 4.081 -5.381 412 HB3 ASP 60 2HB ASP 60 14.482 5.550 -4.672 413 H ASN 61 H ASN 61 11.329 5.548 -6.165 414 HA ASN 61 HA ASN 61 12.160 4.813 -8.895 415 HB2 ASN 61 1HB ASN 61 9.442 5.848 -8.076 416 HB3 ASN 61 2HB ASN 61 9.904 5.170 -9.634 417 HD21 ASN 61 1HD2 ASN 61 7.959 4.466 -7.360 418 HD22 ASN 61 2HD2 ASN 61 8.202 2.769 -7.147 419 H LYS 62 H LYS 62 13.103 6.371 -10.020 420 HA LYS 62 HA LYS 62 13.041 9.105 -9.059 421 HB2 LYS 62 1HB LYS 62 15.045 7.705 -10.094 422 HB3 LYS 62 2HB LYS 62 14.404 8.344 -11.602 423 HG2 LYS 62 1HG LYS 62 14.495 10.615 -10.232 424 HG3 LYS 62 2HG LYS 62 15.762 9.738 -9.370 425 HD2 LYS 62 1HD LYS 62 16.550 9.182 -11.834 426 HD3 LYS 62 2HD LYS 62 15.669 10.668 -12.196 427 HE2 LYS 62 1HE LYS 62 17.016 11.666 -10.228 428 HE3 LYS 62 2HE LYS 62 18.070 10.269 -10.445 429 HZ1 LYS 62 1HZ LYS 62 17.468 12.399 -12.417 430 HZ2 LYS 62 2HZ LYS 62 18.256 10.960 -12.826 431 HZ3 LYS 62 3HZ LYS 62 18.965 12.027 -11.721 432 H ASP 63 H ASP 63 10.755 7.603 -10.510 433 HA ASP 63 HA ASP 63 10.328 9.506 -12.705 434 HB2 ASP 63 1HB ASP 63 10.098 6.926 -12.955 435 HB3 ASP 63 2HB ASP 63 8.553 7.150 -12.139 436 H GLY 64 H GLY 64 9.996 9.997 -9.747 437 HA2 GLY 64 1HA GLY 64 8.589 11.285 -8.465 438 HA3 GLY 64 2HA GLY 64 7.646 11.576 -9.919 439 H SER 65 H SER 65 8.320 8.436 -8.459 440 HA SER 65 HA SER 65 5.599 8.271 -7.425 441 HB2 SER 65 1HB SER 65 5.394 5.978 -8.587 442 HB3 SER 65 2HB SER 65 5.150 7.419 -9.574 443 HG SER 65 HG SER 65 6.642 6.566 -10.783 444 H CYS 66 H CYS 66 5.332 5.867 -6.529 445 HA CYS 66 HA CYS 66 7.830 4.978 -5.292 446 HB2 CYS 66 1HB CYS 66 6.692 6.598 -3.750 447 HB3 CYS 66 2HB CYS 66 5.322 5.496 -3.686 448 HG CYS 66 HG CYS 66 8.308 5.290 -2.161 449 H SER 67 H SER 67 7.962 2.812 -4.989 450 HA SER 67 HA SER 67 5.575 1.232 -5.692 451 HB2 SER 67 1HB SER 67 8.454 0.941 -6.428 452 HB3 SER 67 2HB SER 67 7.492 -0.525 -6.233 453 HG SER 67 HG SER 67 6.078 0.240 -7.806 454 H ALA 68 H ALA 68 4.803 -0.082 -4.181 455 HA ALA 68 HA ALA 68 6.604 -0.995 -2.039 456 HB1 ALA 68 1HB ALA 68 4.051 0.482 -1.812 457 HB2 ALA 68 2HB ALA 68 4.316 -0.835 -0.670 458 HB3 ALA 68 3HB ALA 68 5.470 0.495 -0.764 459 H GLU 69 H GLU 69 6.657 -3.133 -1.894 460 HA GLU 69 HA GLU 69 4.330 -4.662 -2.860 461 HB2 GLU 69 1HB GLU 69 5.869 -6.449 -3.484 462 HB3 GLU 69 2HB GLU 69 6.304 -4.948 -4.289 463 HG2 GLU 69 1HG GLU 69 8.168 -4.617 -2.898 464 HG3 GLU 69 2HG GLU 69 7.624 -5.836 -1.747 465 H TYR 70 H TYR 70 3.527 -6.288 -1.608 466 HA TYR 70 HA TYR 70 4.920 -6.950 0.884 467 HB2 TYR 70 1HB TYR 70 2.945 -6.628 2.224 468 HB3 TYR 70 2HB TYR 70 3.261 -5.138 1.342 469 HD1 TYR 70 1HD TYR 70 1.793 -4.441 -0.488 470 HD2 TYR 70 2HD TYR 70 0.986 -7.960 1.763 471 HE1 TYR 70 1HE TYR 70 -0.499 -4.478 -1.380 472 HE2 TYR 70 2HE TYR 70 -1.308 -8.008 0.876 473 HH TYR 70 HH TYR 70 -2.754 -5.430 -0.621 474 H ILE 71 H ILE 71 4.313 -8.959 1.809 475 HA ILE 71 HA ILE 71 2.578 -10.674 0.187 476 HB ILE 71 HB ILE 71 5.383 -11.425 1.018 477 HG12 ILE 71 1HG1 ILE 71 4.264 -11.302 -1.778 478 HG13 ILE 71 2HG1 ILE 71 5.030 -9.910 -1.021 479 HG21 ILE 71 1HG2 ILE 71 3.045 -13.014 0.254 480 HG22 ILE 71 2HG2 ILE 71 4.511 -13.395 -0.648 481 HG23 ILE 71 3HG2 ILE 71 4.511 -13.488 1.113 482 HD11 ILE 71 1HD1 ILE 71 6.929 -10.685 -1.863 483 HD12 ILE 71 2HD1 ILE 71 6.849 -11.938 -0.624 484 HD13 ILE 71 3HD1 ILE 71 6.215 -12.253 -2.239 485 HA PRO 72 HA PRO 72 1.353 -11.359 4.475 486 HB2 PRO 72 1HB PRO 72 -1.025 -12.504 3.838 487 HB3 PRO 72 2HB PRO 72 -0.773 -10.755 3.849 488 HG2 PRO 72 1HG PRO 72 -0.773 -12.654 1.535 489 HG3 PRO 72 2HG PRO 72 -1.508 -11.045 1.662 490 HD2 PRO 72 1HD PRO 72 0.853 -11.473 0.409 491 HD3 PRO 72 2HD PRO 72 0.489 -9.963 1.270 492 H PHE 73 H PHE 73 0.628 -13.326 5.660 493 HA PHE 73 HA PHE 73 1.645 -15.782 4.388 494 HB2 PHE 73 1HB PHE 73 1.966 -14.880 7.256 495 HB3 PHE 73 2HB PHE 73 2.398 -16.481 6.667 496 HD1 PHE 73 1HD PHE 73 2.980 -12.956 5.575 497 HD2 PHE 73 2HD PHE 73 4.642 -16.794 6.369 498 HE1 PHE 73 1HE PHE 73 5.206 -12.118 4.947 499 HE2 PHE 73 2HE PHE 73 6.871 -15.961 5.744 500 HZ PHE 73 HZ PHE 73 7.156 -13.621 5.032 501 H ALA 74 H ALA 74 -0.954 -14.243 5.876 502 HA ALA 74 HA ALA 74 -2.432 -16.761 5.973 503 HB1 ALA 74 1HB ALA 74 -3.340 -15.270 8.192 504 HB2 ALA 74 2HB ALA 74 -2.533 -16.839 8.187 505 HB3 ALA 74 3HB ALA 74 -1.582 -15.359 8.307 506 HA PRO 75 HA PRO 75 -5.490 -14.311 3.960 507 HB2 PRO 75 1HB PRO 75 -7.649 -15.898 4.399 508 HB3 PRO 75 2HB PRO 75 -6.383 -16.299 3.233 509 HG2 PRO 75 1HG PRO 75 -6.770 -17.299 6.027 510 HG3 PRO 75 2HG PRO 75 -6.321 -18.202 4.568 511 HD2 PRO 75 1HD PRO 75 -4.504 -17.435 6.423 512 HD3 PRO 75 2HD PRO 75 -4.112 -17.556 4.696 513 H GLY 76 H GLY 76 -6.829 -12.670 4.501 514 HA2 GLY 76 1HA GLY 76 -8.734 -12.558 6.476 515 HA3 GLY 76 2HA GLY 76 -7.243 -12.072 7.269 516 H ASP 77 H ASP 77 -8.327 -10.027 7.623 517 HA ASP 77 HA ASP 77 -8.496 -8.346 5.215 518 HB2 ASP 77 1HB ASP 77 -9.663 -6.762 6.948 519 HB3 ASP 77 2HB ASP 77 -10.551 -8.117 6.258 520 H TYR 78 H TYR 78 -6.578 -7.415 4.856 521 HA TYR 78 HA TYR 78 -4.975 -6.479 7.112 522 HB2 TYR 78 1HB TYR 78 -4.377 -6.761 4.165 523 HB3 TYR 78 2HB TYR 78 -3.260 -6.026 5.309 524 HD1 TYR 78 1HD TYR 78 -5.318 -9.145 5.074 525 HD2 TYR 78 2HD TYR 78 -1.574 -7.389 6.075 526 HE1 TYR 78 1HE TYR 78 -4.428 -11.371 5.625 527 HE2 TYR 78 2HE TYR 78 -0.674 -9.610 6.627 528 HH TYR 78 HH TYR 78 -1.097 -11.779 6.795 529 H ASP 79 H ASP 79 -4.003 -4.331 7.033 530 HA ASP 79 HA ASP 79 -5.667 -2.365 5.606 531 HB2 ASP 79 1HB ASP 79 -5.006 -2.549 8.501 532 HB3 ASP 79 2HB ASP 79 -5.029 -0.942 7.779 533 H VAL 80 H VAL 80 -4.273 -1.741 4.045 534 HA VAL 80 HA VAL 80 -1.473 -1.461 4.417 535 HB VAL 80 HB VAL 80 -3.222 -0.278 2.255 536 HG11 VAL 80 1HG1 VAL 80 -0.239 -0.691 2.401 537 HG12 VAL 80 2HG1 VAL 80 -1.120 -0.227 0.944 538 HG13 VAL 80 3HG1 VAL 80 -1.095 0.850 2.342 539 HG21 VAL 80 1HG2 VAL 80 -1.899 -2.944 2.582 540 HG22 VAL 80 2HG2 VAL 80 -3.542 -2.570 2.062 541 HG23 VAL 80 3HG2 VAL 80 -2.185 -2.275 0.975 542 H ASN 81 H ASN 81 -0.589 0.022 5.696 543 HA ASN 81 HA ASN 81 -1.886 2.620 6.023 544 HB2 ASN 81 1HB ASN 81 0.312 1.209 7.532 545 HB3 ASN 81 2HB ASN 81 -0.085 2.901 7.815 546 HD21 ASN 81 1HD2 ASN 81 -1.239 -0.386 8.020 547 HD22 ASN 81 2HD2 ASN 81 -2.515 -0.074 9.143 548 H ILE 82 H ILE 82 -1.255 4.296 4.851 549 HA ILE 82 HA ILE 82 1.547 4.421 3.955 550 HB ILE 82 HB ILE 82 -0.865 5.267 2.345 551 HG12 ILE 82 1HG1 ILE 82 1.072 3.178 1.455 552 HG13 ILE 82 2HG1 ILE 82 -0.137 2.734 2.655 553 HG21 ILE 82 1HG2 ILE 82 0.830 6.760 1.765 554 HG22 ILE 82 2HG2 ILE 82 2.087 5.530 1.896 555 HG23 ILE 82 3HG2 ILE 82 0.954 5.492 0.545 556 HD11 ILE 82 1HD1 ILE 82 -1.722 2.597 1.114 557 HD12 ILE 82 2HD1 ILE 82 -1.310 4.177 0.446 558 HD13 ILE 82 3HD1 ILE 82 -0.443 2.738 -0.092 559 H THR 83 H THR 83 2.516 6.097 4.868 560 HA THR 83 HA THR 83 0.983 8.589 5.226 561 HB THR 83 HB THR 83 2.461 9.032 7.226 562 HG1 THR 83 1HG THR 83 3.641 7.371 8.055 563 HG21 THR 83 1HG2 THR 83 0.361 8.512 7.948 564 HG22 THR 83 2HG2 THR 83 1.212 7.105 8.585 565 HG23 THR 83 3HG2 THR 83 0.319 6.984 7.069 566 H TYR 84 H TYR 84 1.956 10.458 4.613 567 HA TYR 84 HA TYR 84 4.592 10.198 3.337 568 HB2 TYR 84 1HB TYR 84 2.476 10.983 2.058 569 HB3 TYR 84 2HB TYR 84 2.715 12.506 2.907 570 HD1 TYR 84 1HD TYR 84 4.838 10.054 1.034 571 HD2 TYR 84 2HD TYR 84 3.814 14.129 1.705 572 HE1 TYR 84 1HE TYR 84 6.473 10.740 -0.670 573 HE2 TYR 84 2HE TYR 84 5.445 14.825 0.002 574 HH TYR 84 HH TYR 84 7.438 13.994 -1.087 575 H GLY 85 H GLY 85 6.111 10.712 4.806 576 HA2 GLY 85 1HA GLY 85 7.441 12.154 6.030 577 HA3 GLY 85 2HA GLY 85 6.277 13.432 5.713 578 H GLY 86 H GLY 86 4.079 12.984 6.902 579 HA2 GLY 86 1HA GLY 86 4.267 11.633 9.424 580 HA3 GLY 86 2HA GLY 86 4.426 13.375 9.592 581 H ALA 87 H ALA 87 2.459 12.145 7.035 582 HA ALA 87 HA ALA 87 0.027 12.613 8.619 583 HB1 ALA 87 1HB ALA 87 0.605 13.764 5.892 584 HB2 ALA 87 2HB ALA 87 -0.963 13.817 6.698 585 HB3 ALA 87 3HB ALA 87 0.419 14.657 7.402 586 H HIS 88 H HIS 88 -1.929 11.709 7.618 587 HA HIS 88 HA HIS 88 -1.295 9.206 6.227 588 HB2 HIS 88 1HB HIS 88 -3.422 10.059 8.124 589 HB3 HIS 88 2HB HIS 88 -3.855 8.851 6.917 590 HD1 HIS 88 1HD HIS 88 -2.913 6.501 7.210 591 HD2 HIS 88 2HD HIS 88 -1.496 9.209 10.024 592 HE1 HIS 88 1HE HIS 88 -1.737 5.113 8.946 593 HE2 HIS 88 2HE HIS 88 -0.962 6.765 10.682 594 H ILE 89 H ILE 89 -1.717 9.033 4.135 595 HA ILE 89 HA ILE 89 -2.946 11.068 2.627 596 HB ILE 89 HB ILE 89 -2.797 9.577 0.729 597 HG12 ILE 89 1HG1 ILE 89 -2.032 7.391 2.673 598 HG13 ILE 89 2HG1 ILE 89 -3.631 7.551 1.953 599 HG21 ILE 89 1HG2 ILE 89 -0.734 10.579 1.252 600 HG22 ILE 89 2HG2 ILE 89 -0.466 9.501 2.622 601 HG23 ILE 89 3HG2 ILE 89 -0.367 8.876 0.976 602 HD11 ILE 89 1HD1 ILE 89 -2.356 5.899 0.762 603 HD12 ILE 89 2HD1 ILE 89 -2.611 7.304 -0.275 604 HD13 ILE 89 3HD1 ILE 89 -1.046 7.050 0.498 605 HA PRO 90 HA PRO 90 -7.240 10.178 2.880 606 HB2 PRO 90 1HB PRO 90 -8.063 11.003 0.428 607 HB3 PRO 90 2HB PRO 90 -7.579 12.124 1.706 608 HG2 PRO 90 1HG PRO 90 -6.007 11.135 -0.642 609 HG3 PRO 90 2HG PRO 90 -6.118 12.777 0.019 610 HD2 PRO 90 1HD PRO 90 -4.023 11.138 0.529 611 HD3 PRO 90 2HD PRO 90 -4.607 12.335 1.703 612 H GLY 91 H GLY 91 -7.349 7.930 3.001 613 HA2 GLY 91 1HA GLY 91 -8.779 6.411 1.412 614 HA3 GLY 91 2HA GLY 91 -7.281 6.415 0.494 615 H SER 92 H SER 92 -5.885 6.588 3.239 616 HA SER 92 HA SER 92 -5.879 3.685 3.676 617 HB2 SER 92 1HB SER 92 -3.672 4.161 3.304 618 HB3 SER 92 2HB SER 92 -3.824 5.822 3.878 619 HG SER 92 HG SER 92 -3.767 5.074 5.984 620 HA PRO 93 HA PRO 93 -4.662 2.466 5.308 621 HB2 PRO 93 1HB PRO 93 -5.904 0.469 6.664 622 HB3 PRO 93 2HB PRO 93 -4.661 1.495 7.390 623 HG2 PRO 93 1HG PRO 93 -7.640 1.678 7.621 624 HG3 PRO 93 2HG PRO 93 -6.407 1.856 8.883 625 HD2 PRO 93 1HD PRO 93 -7.613 3.980 7.714 626 HD3 PRO 93 2HD PRO 93 -5.935 4.033 8.290 627 H PHE 94 H PHE 94 -5.008 1.085 3.628 628 HA PHE 94 HA PHE 94 -7.706 1.050 2.503 629 HB2 PHE 94 1HB PHE 94 -5.033 0.306 1.299 630 HB3 PHE 94 2HB PHE 94 -6.570 0.219 0.445 631 HD1 PHE 94 2HD PHE 94 -4.208 2.537 2.096 632 HD2 PHE 94 1HD PHE 94 -7.505 2.119 -0.564 633 HE1 PHE 94 2HE PHE 94 -3.963 4.892 1.427 634 HE2 PHE 94 1HE PHE 94 -7.265 4.473 -1.237 635 HZ PHE 94 HZ PHE 94 -5.493 5.863 -0.241 636 H ARG 95 H ARG 95 -8.890 -0.572 3.321 637 HA ARG 95 HA ARG 95 -7.854 -3.042 4.213 638 HB2 ARG 95 1HB ARG 95 -10.160 -1.814 4.656 639 HB3 ARG 95 2HB ARG 95 -10.691 -2.822 3.317 640 HG2 ARG 95 1HG ARG 95 -9.264 -4.009 5.664 641 HG3 ARG 95 2HG ARG 95 -10.999 -3.690 5.711 642 HD2 ARG 95 1HD ARG 95 -9.613 -5.347 3.608 643 HD3 ARG 95 2HD ARG 95 -10.427 -6.007 5.026 644 HE ARG 95 HE ARG 95 -11.665 -4.916 2.651 645 HH11 ARG 95 1HH1 ARG 95 -12.071 -5.845 5.981 646 HH12 ARG 95 2HH1 ARG 95 -13.788 -6.034 5.855 647 HH21 ARG 95 1HH2 ARG 95 -13.926 -5.161 2.472 648 HH22 ARG 95 2HH2 ARG 95 -14.842 -5.645 3.858 649 H VAL 96 H VAL 96 -7.362 -4.857 3.159 650 HA VAL 96 HA VAL 96 -8.396 -5.237 0.431 651 HB VAL 96 HB VAL 96 -5.546 -5.798 1.263 652 HG11 VAL 96 1HG1 VAL 96 -5.144 -6.422 -0.982 653 HG12 VAL 96 2HG1 VAL 96 -6.616 -7.268 -0.497 654 HG13 VAL 96 3HG1 VAL 96 -6.718 -5.826 -1.508 655 HG21 VAL 96 1HG2 VAL 96 -6.839 -3.418 0.115 656 HG22 VAL 96 2HG2 VAL 96 -5.335 -3.566 1.023 657 HG23 VAL 96 3HG2 VAL 96 -5.366 -3.944 -0.699 658 HA PRO 97 HA PRO 97 -9.497 -9.140 2.281 659 HB2 PRO 97 1HB PRO 97 -10.677 -10.169 0.063 660 HB3 PRO 97 2HB PRO 97 -11.460 -8.970 1.100 661 HG2 PRO 97 1HG PRO 97 -10.019 -8.578 -1.494 662 HG3 PRO 97 2HG PRO 97 -11.540 -7.856 -0.940 663 HD2 PRO 97 1HD PRO 97 -9.183 -6.527 -0.860 664 HD3 PRO 97 2HD PRO 97 -10.466 -6.267 0.338 665 H VAL 98 H VAL 98 -7.646 -10.288 2.618 666 HA VAL 98 HA VAL 98 -6.117 -11.285 0.347 667 HB VAL 98 HB VAL 98 -5.621 -11.575 3.313 668 HG11 VAL 98 1HG1 VAL 98 -3.667 -12.695 2.869 669 HG12 VAL 98 2HG1 VAL 98 -4.700 -13.321 1.582 670 HG13 VAL 98 3HG1 VAL 98 -3.536 -12.042 1.237 671 HG21 VAL 98 1HG2 VAL 98 -4.991 -9.497 1.357 672 HG22 VAL 98 2HG2 VAL 98 -5.009 -9.428 3.119 673 HG23 VAL 98 3HG2 VAL 98 -3.594 -10.059 2.276 674 H LYS 99 H LYS 99 -7.130 -12.964 -0.609 675 HA LYS 99 HA LYS 99 -8.205 -15.112 1.073 676 HB2 LYS 99 1HB LYS 99 -8.488 -14.843 -1.917 677 HB3 LYS 99 2HB LYS 99 -9.444 -15.841 -0.829 678 HG2 LYS 99 1HG LYS 99 -10.615 -14.010 0.016 679 HG3 LYS 99 2HG LYS 99 -9.421 -12.855 -0.582 680 HD2 LYS 99 1HD LYS 99 -10.185 -13.005 -2.768 681 HD3 LYS 99 2HD LYS 99 -10.944 -14.575 -2.500 682 HE2 LYS 99 1HE LYS 99 -12.440 -13.225 -0.829 683 HE3 LYS 99 2HE LYS 99 -11.919 -11.844 -1.792 684 HZ1 LYS 99 1HZ LYS 99 -13.965 -12.690 -2.665 685 HZ2 LYS 99 2HZ LYS 99 -13.338 -14.257 -2.781 686 HZ3 LYS 99 3HZ LYS 99 -12.735 -13.028 -3.776 687 H ASP 100 H ASP 100 -7.881 -17.368 0.183 688 HA ASP 100 HA ASP 100 -5.035 -17.713 -0.401 689 HB2 ASP 100 1HB ASP 100 -7.002 -19.882 0.327 690 HB3 ASP 100 2HB ASP 100 -5.245 -19.926 0.447 691 H VAL 101 H VAL 101 -4.317 -18.358 -2.324 692 HA VAL 101 HA VAL 101 -5.626 -18.349 -4.660 693 HB VAL 101 HB VAL 101 -3.461 -20.325 -3.930 694 HG11 VAL 101 1HG1 VAL 101 -4.779 -20.860 -6.010 695 HG12 VAL 101 2HG1 VAL 101 -4.179 -19.344 -6.683 696 HG13 VAL 101 3HG1 VAL 101 -3.048 -20.625 -6.245 697 HG21 VAL 101 1HG2 VAL 101 -2.924 -17.923 -3.576 698 HG22 VAL 101 2HG2 VAL 101 -1.916 -18.701 -4.795 699 HG23 VAL 101 3HG2 VAL 101 -3.237 -17.643 -5.289 700 H VAL 102 H VAL 102 -5.113 -21.375 -2.836 701 HA VAL 102 HA VAL 102 -7.390 -22.544 -4.285 702 HB VAL 102 HB VAL 102 -5.186 -23.928 -2.749 703 HG11 VAL 102 1HG1 VAL 102 -7.764 -24.843 -3.768 704 HG12 VAL 102 2HG1 VAL 102 -6.398 -25.812 -4.325 705 HG13 VAL 102 3HG1 VAL 102 -6.677 -25.589 -2.598 706 HG21 VAL 102 1HG2 VAL 102 -4.738 -22.790 -5.045 707 HG22 VAL 102 2HG2 VAL 102 -4.167 -24.434 -4.762 708 HG23 VAL 102 3HG2 VAL 102 -5.638 -24.160 -5.695 709 H ASP 103 H ASP 103 -9.188 -23.161 -3.237 710 HA ASP 103 HA ASP 103 -9.261 -22.750 -0.328 711 HB2 ASP 103 1HB ASP 103 -11.280 -22.448 -2.508 712 HB3 ASP 103 2HB ASP 103 -11.846 -22.864 -0.892 713 HA PRO 104 HA PRO 104 -9.941 -27.006 0.492 714 HB2 PRO 104 1HB PRO 104 -11.608 -26.874 2.631 715 HB3 PRO 104 2HB PRO 104 -9.892 -26.462 2.724 716 HG2 PRO 104 1HG PRO 104 -12.263 -24.652 2.469 717 HG3 PRO 104 2HG PRO 104 -10.828 -24.478 3.496 718 HD2 PRO 104 1HD PRO 104 -11.121 -23.138 1.161 719 HD3 PRO 104 2HD PRO 104 -9.537 -23.662 1.768 720 H SER 105 H SER 105 -11.095 -28.260 -0.831 721 HA SER 105 HA SER 105 -13.633 -27.636 -1.855 722 HB2 SER 105 1HB SER 105 -12.354 -30.373 -1.667 723 HB3 SER 105 2HB SER 105 -13.637 -29.889 -2.776 724 HG SER 105 HG SER 105 -10.988 -28.866 -2.708 Start of MODEL 15 1 H1 GLY 1 H GLY 1 20.180 25.098 -10.512 2 HA2 GLY 1 1HA GLY 1 19.251 22.405 -11.168 3 HA3 GLY 1 2HA GLY 1 20.327 22.566 -9.789 4 H SER 2 H SER 2 17.309 23.922 -11.100 5 HA SER 2 HA SER 2 16.249 25.215 -8.994 6 HB2 SER 2 1HB SER 2 15.141 24.731 -11.230 7 HB3 SER 2 2HB SER 2 14.608 23.200 -10.535 8 HG SER 2 HG SER 2 13.666 25.737 -10.119 9 H SER 3 H SER 3 15.719 24.803 -6.951 10 HA SER 3 HA SER 3 15.904 22.055 -5.990 11 HB2 SER 3 1HB SER 3 16.272 22.940 -3.849 12 HB3 SER 3 2HB SER 3 17.066 24.105 -4.909 13 HG SER 3 HG SER 3 15.120 25.362 -4.778 14 H GLY 4 H GLY 4 14.333 21.413 -4.229 15 HA2 GLY 4 1HA GLY 4 11.666 21.655 -5.281 16 HA3 GLY 4 2HA GLY 4 12.157 20.702 -3.889 17 H SER 5 H SER 5 9.821 22.402 -4.181 18 HA SER 5 HA SER 5 10.296 24.778 -2.630 19 HB2 SER 5 1HB SER 5 7.809 24.991 -2.681 20 HB3 SER 5 2HB SER 5 8.524 24.811 -4.283 21 HG SER 5 HG SER 5 7.302 22.760 -2.745 22 H SER 6 H SER 6 11.115 24.190 -0.650 23 HA SER 6 HA SER 6 10.193 22.105 0.971 24 HB2 SER 6 1HB SER 6 11.503 24.709 1.791 25 HB3 SER 6 2HB SER 6 11.338 23.286 2.820 26 HG SER 6 HG SER 6 12.718 23.360 0.339 27 H GLY 7 H GLY 7 9.340 22.679 3.310 28 HA2 GLY 7 1HA GLY 7 7.818 24.283 4.458 29 HA3 GLY 7 2HA GLY 7 6.939 24.363 2.938 30 H GLY 8 H GLY 8 5.034 23.741 4.090 31 HA2 GLY 8 1HA GLY 8 4.923 21.193 5.421 32 HA3 GLY 8 2HA GLY 8 3.562 22.249 5.070 33 H CYS 9 H CYS 9 4.721 19.276 4.496 34 HA CYS 9 HA CYS 9 4.350 18.952 1.708 35 HB2 CYS 9 1HB CYS 9 4.359 16.561 2.167 36 HB3 CYS 9 2HB CYS 9 5.619 17.356 3.102 37 HG CYS 9 HG CYS 9 2.650 16.908 4.645 38 H GLN 10 H GLN 10 2.640 17.503 0.773 39 HA GLN 10 HA GLN 10 0.025 18.073 2.006 40 HB2 GLN 10 1HB GLN 10 0.917 18.272 -0.853 41 HB3 GLN 10 2HB GLN 10 -0.775 17.986 -0.467 42 HG2 GLN 10 1HG GLN 10 -0.480 20.058 1.083 43 HG3 GLN 10 2HG GLN 10 0.905 20.393 0.046 44 HE21 GLN 10 1HE2 GLN 10 -2.538 19.579 -0.125 45 HE22 GLN 10 2HE2 GLN 10 -2.881 20.568 -1.499 46 HA PRO 11 HA PRO 11 0.252 13.525 1.789 47 HB2 PRO 11 1HB PRO 11 -1.475 13.139 3.848 48 HB3 PRO 11 2HB PRO 11 0.245 13.468 4.086 49 HG2 PRO 11 1HG PRO 11 -2.083 15.342 4.257 50 HG3 PRO 11 2HG PRO 11 -0.675 15.206 5.326 51 HD2 PRO 11 1HD PRO 11 -0.874 17.115 3.416 52 HD3 PRO 11 2HD PRO 11 0.681 16.410 3.903 53 H SER 12 H SER 12 -2.093 15.810 1.100 54 HA SER 12 HA SER 12 -4.244 13.905 0.637 55 HB2 SER 12 1HB SER 12 -4.196 16.859 -0.009 56 HB3 SER 12 2HB SER 12 -5.613 15.816 0.108 57 HG SER 12 HG SER 12 -4.555 17.234 2.023 58 H ARG 13 H ARG 13 -1.798 15.647 -1.118 59 HA ARG 13 HA ARG 13 -2.925 15.300 -3.713 60 HB2 ARG 13 1HB ARG 13 -0.025 15.746 -2.992 61 HB3 ARG 13 2HB ARG 13 -0.783 16.050 -4.549 62 HG2 ARG 13 1HG ARG 13 -1.959 17.457 -2.242 63 HG3 ARG 13 2HG ARG 13 -0.332 17.952 -2.717 64 HD2 ARG 13 1HD ARG 13 -2.423 19.096 -3.786 65 HD3 ARG 13 2HD ARG 13 -1.018 18.708 -4.777 66 HE ARG 13 HE ARG 13 -2.526 16.512 -5.068 67 HH11 ARG 13 1HH1 ARG 13 -3.285 19.901 -5.311 68 HH12 ARG 13 2HH1 ARG 13 -4.539 19.670 -6.484 69 HH21 ARG 13 1HH2 ARG 13 -4.175 16.194 -6.611 70 HH22 ARG 13 2HH2 ARG 13 -5.045 17.561 -7.222 71 H VAL 14 H VAL 14 -1.407 13.189 -1.551 72 HA VAL 14 HA VAL 14 -0.056 11.478 -3.364 73 HB VAL 14 HB VAL 14 -1.247 10.666 -0.714 74 HG11 VAL 14 1HG1 VAL 14 -0.164 9.041 -2.489 75 HG12 VAL 14 2HG1 VAL 14 1.335 9.649 -1.784 76 HG13 VAL 14 3HG1 VAL 14 0.140 8.849 -0.763 77 HG21 VAL 14 1HG2 VAL 14 0.871 11.333 0.305 78 HG22 VAL 14 2HG2 VAL 14 1.425 11.966 -1.245 79 HG23 VAL 14 3HG2 VAL 14 0.055 12.715 -0.426 80 H GLN 15 H GLN 15 -0.691 9.554 -4.313 81 HA GLN 15 HA GLN 15 -3.534 8.847 -4.146 82 HB2 GLN 15 1HB GLN 15 -2.062 8.903 -6.773 83 HB3 GLN 15 2HB GLN 15 -3.789 8.722 -6.501 84 HG2 GLN 15 1HG GLN 15 -4.091 10.966 -6.054 85 HG3 GLN 15 2HG GLN 15 -2.396 11.217 -5.641 86 HE21 GLN 15 1HE2 GLN 15 -4.224 9.991 -8.430 87 HE22 GLN 15 2HE2 GLN 15 -3.392 10.942 -9.608 88 H ALA 16 H ALA 16 -3.923 6.712 -4.040 89 HA ALA 16 HA ALA 16 -1.709 4.872 -4.667 90 HB1 ALA 16 1HB ALA 16 -2.162 5.321 -2.177 91 HB2 ALA 16 2HB ALA 16 -3.615 4.350 -2.414 92 HB3 ALA 16 3HB ALA 16 -2.026 3.646 -2.713 93 H GLN 17 H GLN 17 -2.225 3.299 -6.041 94 HA GLN 17 HA GLN 17 -4.890 2.175 -6.106 95 HB2 GLN 17 1HB GLN 17 -5.278 2.621 -8.467 96 HB3 GLN 17 2HB GLN 17 -5.101 4.131 -7.584 97 HG2 GLN 17 1HG GLN 17 -3.002 4.560 -8.493 98 HG3 GLN 17 2HG GLN 17 -2.775 2.886 -8.994 99 HE21 GLN 17 1HE2 GLN 17 -2.958 5.699 -10.307 100 HE22 GLN 17 2HE2 GLN 17 -3.928 5.399 -11.704 101 H GLY 18 H GLY 18 -5.022 0.357 -7.715 102 HA2 GLY 18 1HA GLY 18 -3.525 -1.029 -9.213 103 HA3 GLY 18 2HA GLY 18 -2.390 -0.973 -7.872 104 HA PRO 19 HA PRO 19 -5.066 -4.796 -7.553 105 HB2 PRO 19 1HB PRO 19 -3.005 -6.561 -7.463 106 HB3 PRO 19 2HB PRO 19 -3.741 -6.020 -8.976 107 HG2 PRO 19 1HG PRO 19 -1.225 -5.083 -7.652 108 HG3 PRO 19 2HG PRO 19 -1.528 -5.423 -9.365 109 HD2 PRO 19 1HD PRO 19 -1.517 -2.910 -8.359 110 HD3 PRO 19 2HD PRO 19 -2.554 -3.390 -9.718 111 H GLY 20 H GLY 20 -1.891 -4.255 -6.006 112 HA2 GLY 20 1HA GLY 20 -2.211 -5.708 -3.703 113 HA3 GLY 20 2HA GLY 20 -1.306 -4.204 -3.781 114 H LEU 21 H LEU 21 -3.980 -2.920 -4.627 115 HA LEU 21 HA LEU 21 -4.935 -2.525 -1.877 116 HB2 LEU 21 1HB LEU 21 -5.280 -0.780 -4.310 117 HB3 LEU 21 2HB LEU 21 -5.855 -0.406 -2.687 118 HG LEU 21 HG LEU 21 -2.946 -0.741 -3.404 119 HD11 LEU 21 1HD1 LEU 21 -3.588 1.938 -2.765 120 HD12 LEU 21 2HD1 LEU 21 -4.706 1.406 -4.021 121 HD13 LEU 21 3HD1 LEU 21 -2.966 1.291 -4.284 122 HD21 LEU 21 1HD2 LEU 21 -4.139 -0.860 -0.960 123 HD22 LEU 21 2HD2 LEU 21 -3.757 0.857 -1.085 124 HD23 LEU 21 3HD2 LEU 21 -2.476 -0.346 -1.248 125 H LYS 22 H LYS 22 -5.954 -3.314 -5.138 126 HA LYS 22 HA LYS 22 -8.753 -3.271 -4.599 127 HB2 LYS 22 1HB LYS 22 -7.050 -4.358 -6.819 128 HB3 LYS 22 2HB LYS 22 -8.764 -4.743 -6.747 129 HG2 LYS 22 1HG LYS 22 -8.998 -2.133 -6.502 130 HG3 LYS 22 2HG LYS 22 -7.421 -2.150 -7.293 131 HD2 LYS 22 1HD LYS 22 -9.847 -3.593 -8.353 132 HD3 LYS 22 2HD LYS 22 -9.376 -1.966 -8.850 133 HE2 LYS 22 1HE LYS 22 -7.605 -4.395 -9.083 134 HE3 LYS 22 2HE LYS 22 -8.612 -3.773 -10.390 135 HZ1 LYS 22 1HZ LYS 22 -6.745 -2.647 -10.883 136 HZ2 LYS 22 2HZ LYS 22 -6.124 -2.735 -9.312 137 HZ3 LYS 22 3HZ LYS 22 -7.292 -1.573 -9.695 138 H GLU 23 H GLU 23 -6.425 -5.940 -5.014 139 HA GLU 23 HA GLU 23 -7.684 -7.490 -2.965 140 HB2 GLU 23 1HB GLU 23 -8.522 -9.298 -4.275 141 HB3 GLU 23 2HB GLU 23 -9.213 -7.821 -4.933 142 HG2 GLU 23 1HG GLU 23 -7.324 -7.877 -6.630 143 HG3 GLU 23 2HG GLU 23 -7.028 -9.525 -6.079 144 H ALA 24 H ALA 24 -6.366 -9.101 -2.213 145 HA ALA 24 HA ALA 24 -3.899 -9.640 -3.724 146 HB1 ALA 24 1HB ALA 24 -4.171 -8.765 -0.874 147 HB2 ALA 24 2HB ALA 24 -2.785 -9.723 -1.398 148 HB3 ALA 24 3HB ALA 24 -3.099 -8.151 -2.132 149 H PHE 25 H PHE 25 -2.669 -11.453 -2.234 150 HA PHE 25 HA PHE 25 -4.598 -13.497 -1.438 151 HB2 PHE 25 1HB PHE 25 -2.792 -13.637 -3.799 152 HB3 PHE 25 2HB PHE 25 -2.969 -15.096 -2.830 153 HD1 PHE 25 2HD PHE 25 -4.985 -12.491 -4.560 154 HD2 PHE 25 1HD PHE 25 -4.739 -16.526 -3.228 155 HE1 PHE 25 2HE PHE 25 -7.093 -12.999 -5.722 156 HE2 PHE 25 1HE PHE 25 -6.846 -17.041 -4.389 157 HZ PHE 25 HZ PHE 25 -8.026 -15.276 -5.637 158 H THR 26 H THR 26 -3.401 -15.471 -0.557 159 HA THR 26 HA THR 26 -1.493 -14.527 1.387 160 HB THR 26 HB THR 26 -1.567 -16.887 2.229 161 HG1 THR 26 1HG THR 26 -3.075 -18.287 1.278 162 HG21 THR 26 1HG2 THR 26 -4.005 -15.184 1.927 163 HG22 THR 26 2HG2 THR 26 -3.052 -15.536 3.370 164 HG23 THR 26 3HG2 THR 26 -4.139 -16.758 2.711 165 H ASN 27 H ASN 27 0.650 -14.662 1.260 166 HA ASN 27 HA ASN 27 2.747 -15.193 0.559 167 HB2 ASN 27 1HB ASN 27 1.394 -17.774 -0.254 168 HB3 ASN 27 2HB ASN 27 3.137 -17.521 -0.246 169 HD21 ASN 27 1HD2 ASN 27 0.401 -16.944 1.946 170 HD22 ASN 27 2HD2 ASN 27 1.167 -17.604 3.346 171 H LYS 28 H LYS 28 0.989 -13.743 -1.190 172 HA LYS 28 HA LYS 28 2.178 -14.475 -3.784 173 HB2 LYS 28 1HB LYS 28 -0.616 -13.595 -3.131 174 HB3 LYS 28 2HB LYS 28 0.065 -13.271 -4.719 175 HG2 LYS 28 1HG LYS 28 0.637 -15.854 -4.590 176 HG3 LYS 28 2HG LYS 28 -0.739 -15.841 -3.484 177 HD2 LYS 28 1HD LYS 28 -1.890 -14.468 -5.380 178 HD3 LYS 28 2HD LYS 28 -0.638 -15.182 -6.399 179 HE2 LYS 28 1HE LYS 28 -2.282 -16.904 -4.585 180 HE3 LYS 28 2HE LYS 28 -2.923 -16.386 -6.144 181 HZ1 LYS 28 1HZ LYS 28 -0.907 -18.351 -5.552 182 HZ2 LYS 28 2HZ LYS 28 -0.453 -17.276 -6.776 183 HZ3 LYS 28 3HZ LYS 28 -1.876 -18.177 -6.928 184 HA PRO 29 HA PRO 29 3.892 -10.424 -3.836 185 HB2 PRO 29 1HB PRO 29 4.176 -10.085 -6.514 186 HB3 PRO 29 2HB PRO 29 5.211 -11.160 -5.567 187 HG2 PRO 29 1HG PRO 29 2.838 -11.828 -7.265 188 HG3 PRO 29 2HG PRO 29 4.396 -12.666 -7.140 189 HD2 PRO 29 1HD PRO 29 2.168 -13.536 -5.871 190 HD3 PRO 29 2HD PRO 29 3.796 -13.756 -5.199 191 H ASN 30 H ASN 30 2.589 -8.787 -3.251 192 HA ASN 30 HA ASN 30 0.582 -7.865 -5.203 193 HB2 ASN 30 1HB ASN 30 0.269 -7.293 -2.282 194 HB3 ASN 30 2HB ASN 30 -0.964 -7.431 -3.532 195 HD21 ASN 30 1HD2 ASN 30 0.970 -9.098 -1.222 196 HD22 ASN 30 2HD2 ASN 30 0.219 -10.645 -1.389 197 H VAL 31 H VAL 31 0.992 -5.921 -6.003 198 HA VAL 31 HA VAL 31 2.463 -3.985 -4.342 199 HB VAL 31 HB VAL 31 3.685 -3.189 -6.264 200 HG11 VAL 31 1HG1 VAL 31 4.148 -6.076 -6.632 201 HG12 VAL 31 2HG1 VAL 31 5.272 -4.791 -6.184 202 HG13 VAL 31 3HG1 VAL 31 4.205 -5.495 -4.968 203 HG21 VAL 31 1HG2 VAL 31 2.483 -5.396 -7.915 204 HG22 VAL 31 2HG2 VAL 31 1.812 -3.765 -7.883 205 HG23 VAL 31 3HG2 VAL 31 3.459 -4.030 -8.455 206 H PHE 32 H PHE 32 2.282 -1.713 -5.347 207 HA PHE 32 HA PHE 32 -0.163 -1.201 -6.800 208 HB2 PHE 32 1HB PHE 32 -0.931 0.417 -4.957 209 HB3 PHE 32 2HB PHE 32 -1.207 -1.303 -4.696 210 HD1 PHE 32 2HD PHE 32 0.195 -2.553 -3.107 211 HD2 PHE 32 1HD PHE 32 0.540 1.664 -3.568 212 HE1 PHE 32 2HE PHE 32 1.404 -2.422 -0.968 213 HE2 PHE 32 1HE PHE 32 1.750 1.802 -1.430 214 HZ PHE 32 HZ PHE 32 2.182 -0.242 -0.127 215 H THR 33 H THR 33 -0.323 0.949 -7.570 216 HA THR 33 HA THR 33 2.261 2.261 -7.796 217 HB THR 33 HB THR 33 -0.332 3.043 -9.134 218 HG1 THR 33 1HG THR 33 0.885 1.883 -10.946 219 HG21 THR 33 1HG2 THR 33 1.221 4.826 -9.283 220 HG22 THR 33 2HG2 THR 33 1.308 3.981 -10.829 221 HG23 THR 33 3HG2 THR 33 2.560 3.729 -9.613 222 H VAL 34 H VAL 34 2.844 3.915 -6.563 223 HA VAL 34 HA VAL 34 0.735 5.512 -5.261 224 HB VAL 34 HB VAL 34 3.533 4.954 -4.265 225 HG11 VAL 34 1HG1 VAL 34 1.978 7.170 -3.759 226 HG12 VAL 34 2HG1 VAL 34 1.629 6.109 -2.392 227 HG13 VAL 34 3HG1 VAL 34 3.293 6.574 -2.747 228 HG21 VAL 34 1HG2 VAL 34 2.328 3.774 -2.429 229 HG22 VAL 34 2HG2 VAL 34 0.836 3.961 -3.351 230 HG23 VAL 34 3HG2 VAL 34 2.163 3.003 -4.006 231 H VAL 35 H VAL 35 0.528 7.370 -6.336 232 HA VAL 35 HA VAL 35 2.869 8.642 -7.530 233 HB VAL 35 HB VAL 35 -0.040 9.443 -7.700 234 HG11 VAL 35 1HG1 VAL 35 2.125 11.014 -8.183 235 HG12 VAL 35 2HG1 VAL 35 1.842 10.309 -9.775 236 HG13 VAL 35 3HG1 VAL 35 0.555 11.201 -8.963 237 HG21 VAL 35 1HG2 VAL 35 1.475 8.260 -9.974 238 HG22 VAL 35 2HG2 VAL 35 0.843 7.187 -8.725 239 HG23 VAL 35 3HG2 VAL 35 -0.255 8.227 -9.633 240 H THR 36 H THR 36 3.961 10.149 -6.474 241 HA THR 36 HA THR 36 2.533 11.825 -4.517 242 HB THR 36 HB THR 36 4.579 11.883 -3.135 243 HG1 THR 36 1HG THR 36 5.864 11.107 -5.118 244 HG21 THR 36 1HG2 THR 36 4.336 9.034 -3.092 245 HG22 THR 36 2HG2 THR 36 2.752 9.743 -3.409 246 HG23 THR 36 3HG2 THR 36 3.661 10.219 -1.975 247 H ARG 37 H ARG 37 2.910 12.531 -7.200 248 HA ARG 37 HA ARG 37 5.235 14.135 -7.558 249 HB2 ARG 37 1HB ARG 37 2.607 13.927 -9.011 250 HB3 ARG 37 2HB ARG 37 3.815 15.124 -9.461 251 HG2 ARG 37 1HG ARG 37 4.573 12.244 -9.260 252 HG3 ARG 37 2HG ARG 37 3.735 12.847 -10.691 253 HD2 ARG 37 1HD ARG 37 6.102 14.348 -9.695 254 HD3 ARG 37 2HD ARG 37 6.373 12.822 -10.534 255 HE ARG 37 HE ARG 37 5.703 15.287 -11.725 256 HH11 ARG 37 1HH1 ARG 37 4.975 11.889 -11.935 257 HH12 ARG 37 2HH1 ARG 37 4.584 11.944 -13.622 258 HH21 ARG 37 1HH2 ARG 37 5.191 15.372 -13.946 259 HH22 ARG 37 2HH2 ARG 37 4.709 13.925 -14.765 260 H GLY 38 H GLY 38 1.835 14.916 -6.833 261 HA2 GLY 38 1HA GLY 38 2.376 17.715 -6.514 262 HA3 GLY 38 2HA GLY 38 0.875 16.892 -6.119 263 H ALA 39 H ALA 39 2.079 14.968 -4.335 264 HA ALA 39 HA ALA 39 1.745 16.119 -1.895 265 HB1 ALA 39 1HB ALA 39 3.511 14.303 -1.150 266 HB2 ALA 39 2HB ALA 39 1.912 13.848 -1.739 267 HB3 ALA 39 3HB ALA 39 3.306 13.763 -2.817 268 H GLY 40 H GLY 40 4.859 15.785 -3.598 269 HA2 GLY 40 1HA GLY 40 6.368 17.713 -3.567 270 HA3 GLY 40 2HA GLY 40 5.885 17.972 -1.897 271 H ILE 41 H ILE 41 7.583 17.599 -0.638 272 HA ILE 41 HA ILE 41 9.147 15.147 -1.121 273 HB ILE 41 HB ILE 41 10.224 17.707 0.062 274 HG12 ILE 41 1HG1 ILE 41 10.836 16.578 -2.669 275 HG13 ILE 41 2HG1 ILE 41 9.596 17.798 -2.403 276 HG21 ILE 41 1HG2 ILE 41 11.204 14.994 -0.096 277 HG22 ILE 41 2HG2 ILE 41 12.300 16.124 -0.890 278 HG23 ILE 41 3HG2 ILE 41 11.847 16.373 0.796 279 HD11 ILE 41 1HD1 ILE 41 11.802 18.673 -3.166 280 HD12 ILE 41 2HD1 ILE 41 11.206 19.379 -1.664 281 HD13 ILE 41 3HD1 ILE 41 12.474 18.155 -1.620 282 H GLY 42 H GLY 42 8.324 13.778 0.369 283 HA2 GLY 42 1HA GLY 42 8.774 14.447 3.167 284 HA3 GLY 42 2HA GLY 42 7.110 14.104 2.718 285 H GLY 43 H GLY 43 9.068 12.688 4.494 286 HA2 GLY 43 1HA GLY 43 9.946 10.298 3.333 287 HA3 GLY 43 2HA GLY 43 9.579 10.518 5.038 288 H LEU 44 H LEU 44 8.754 8.860 2.274 289 HA LEU 44 HA LEU 44 5.950 8.501 2.898 290 HB2 LEU 44 1HB LEU 44 6.844 8.543 0.568 291 HB3 LEU 44 2HB LEU 44 7.651 7.013 0.904 292 HG LEU 44 HG LEU 44 5.331 6.079 1.390 293 HD11 LEU 44 1HD1 LEU 44 4.536 8.621 -0.022 294 HD12 LEU 44 2HD1 LEU 44 4.151 8.182 1.642 295 HD13 LEU 44 3HD1 LEU 44 3.471 7.253 0.306 296 HD21 LEU 44 1HD2 LEU 44 4.865 5.727 -0.995 297 HD22 LEU 44 2HD2 LEU 44 6.576 5.524 -0.619 298 HD23 LEU 44 3HD2 LEU 44 6.014 7.003 -1.400 299 H GLY 45 H GLY 45 5.254 7.124 4.385 300 HA2 GLY 45 1HA GLY 45 6.921 4.755 4.976 301 HA3 GLY 45 2HA GLY 45 6.005 5.621 6.201 302 H ILE 46 H ILE 46 5.973 3.107 3.919 303 HA ILE 46 HA ILE 46 3.059 2.793 4.195 304 HB ILE 46 HB ILE 46 4.879 1.475 2.178 305 HG12 ILE 46 1HG1 ILE 46 2.877 3.680 1.681 306 HG13 ILE 46 2HG1 ILE 46 4.587 3.990 1.963 307 HG21 ILE 46 1HG2 ILE 46 2.081 1.117 2.931 308 HG22 ILE 46 2HG2 ILE 46 2.324 1.375 1.204 309 HG23 ILE 46 3HG2 ILE 46 3.157 0.055 2.024 310 HD11 ILE 46 1HD1 ILE 46 3.548 3.730 -0.466 311 HD12 ILE 46 2HD1 ILE 46 5.196 3.236 -0.079 312 HD13 ILE 46 3HD1 ILE 46 3.908 2.034 -0.145 313 H THR 47 H THR 47 2.233 1.061 5.213 314 HA THR 47 HA THR 47 3.957 -1.230 5.793 315 HB THR 47 HB THR 47 2.938 -1.197 8.177 316 HG1 THR 47 1HG THR 47 2.846 1.238 8.723 317 HG21 THR 47 1HG2 THR 47 4.766 0.609 8.807 318 HG22 THR 47 2HG2 THR 47 5.205 0.413 7.110 319 HG23 THR 47 3HG2 THR 47 5.220 -0.980 8.192 320 H VAL 48 H VAL 48 2.670 -3.039 6.812 321 HA VAL 48 HA VAL 48 -0.138 -2.999 5.936 322 HB VAL 48 HB VAL 48 1.873 -5.184 5.389 323 HG11 VAL 48 1HG1 VAL 48 0.213 -6.655 5.451 324 HG12 VAL 48 2HG1 VAL 48 -0.940 -5.382 5.857 325 HG13 VAL 48 3HG1 VAL 48 -0.600 -5.760 4.168 326 HG21 VAL 48 1HG2 VAL 48 0.947 -4.772 3.021 327 HG22 VAL 48 2HG2 VAL 48 0.358 -3.244 3.676 328 HG23 VAL 48 3HG2 VAL 48 2.085 -3.602 3.691 329 H GLU 49 H GLU 49 -1.529 -3.744 7.408 330 HA GLU 49 HA GLU 49 -0.440 -5.244 9.699 331 HB2 GLU 49 1HB GLU 49 -2.595 -3.155 9.535 332 HB3 GLU 49 2HB GLU 49 -2.540 -4.293 10.873 333 HG2 GLU 49 1HG GLU 49 -0.493 -3.464 11.645 334 HG3 GLU 49 2HG GLU 49 -0.167 -2.620 10.133 335 H GLY 50 H GLY 50 -1.552 -7.024 10.465 336 HA2 GLY 50 1HA GLY 50 -4.137 -7.802 9.683 337 HA3 GLY 50 2HA GLY 50 -2.981 -8.557 8.595 338 HA PRO 51 HA PRO 51 -3.576 -11.278 12.327 339 HB2 PRO 51 1HB PRO 51 -4.067 -13.541 10.911 340 HB3 PRO 51 2HB PRO 51 -5.336 -12.398 11.366 341 HG2 PRO 51 1HG PRO 51 -3.896 -12.691 8.757 342 HG3 PRO 51 2HG PRO 51 -5.624 -12.426 9.058 343 HD2 PRO 51 1HD PRO 51 -3.948 -10.426 8.335 344 HD3 PRO 51 2HD PRO 51 -5.347 -10.163 9.396 345 H SER 52 H SER 52 -1.506 -11.027 9.661 346 HA SER 52 HA SER 52 0.563 -12.505 11.052 347 HB2 SER 52 1HB SER 52 1.135 -13.911 9.122 348 HB3 SER 52 2HB SER 52 -0.505 -14.248 9.677 349 HG SER 52 HG SER 52 -1.107 -12.626 7.984 350 H GLU 53 H GLU 53 2.565 -11.692 10.682 351 HA GLU 53 HA GLU 53 2.845 -9.157 9.534 352 HB2 GLU 53 1HB GLU 53 4.366 -10.023 11.250 353 HB3 GLU 53 2HB GLU 53 4.979 -11.218 10.116 354 HG2 GLU 53 1HG GLU 53 6.594 -9.557 10.096 355 HG3 GLU 53 2HG GLU 53 5.634 -9.221 8.656 356 H SER 54 H SER 54 3.322 -8.447 7.541 357 HA SER 54 HA SER 54 3.724 -10.475 5.449 358 HB2 SER 54 1HB SER 54 2.710 -7.637 5.154 359 HB3 SER 54 2HB SER 54 2.793 -8.855 3.881 360 HG SER 54 HG SER 54 1.289 -9.174 6.264 361 H LYS 55 H LYS 55 5.366 -10.279 3.964 362 HA LYS 55 HA LYS 55 7.645 -8.732 4.808 363 HB2 LYS 55 1HB LYS 55 7.123 -10.825 2.744 364 HB3 LYS 55 2HB LYS 55 8.537 -9.797 2.551 365 HG2 LYS 55 1HG LYS 55 9.453 -10.525 4.617 366 HG3 LYS 55 2HG LYS 55 7.957 -11.351 5.059 367 HD2 LYS 55 1HD LYS 55 9.200 -13.127 4.313 368 HD3 LYS 55 2HD LYS 55 8.404 -12.650 2.811 369 HE2 LYS 55 1HE LYS 55 10.326 -11.671 1.957 370 HE3 LYS 55 2HE LYS 55 11.055 -11.477 3.550 371 HZ1 LYS 55 1HZ LYS 55 12.230 -13.256 2.843 372 HZ2 LYS 55 2HZ LYS 55 11.023 -13.801 1.792 373 HZ3 LYS 55 3HZ LYS 55 10.901 -14.107 3.452 374 H ILE 56 H ILE 56 7.330 -6.582 4.453 375 HA ILE 56 HA ILE 56 6.407 -5.676 1.840 376 HB ILE 56 HB ILE 56 6.921 -4.260 4.442 377 HG12 ILE 56 1HG1 ILE 56 4.455 -4.313 2.699 378 HG13 ILE 56 2HG1 ILE 56 4.755 -5.493 3.970 379 HG21 ILE 56 1HG2 ILE 56 5.978 -2.253 3.012 380 HG22 ILE 56 2HG2 ILE 56 7.705 -2.596 3.090 381 HG23 ILE 56 3HG2 ILE 56 6.762 -3.129 1.698 382 HD11 ILE 56 1HD1 ILE 56 3.467 -4.011 5.107 383 HD12 ILE 56 2HD1 ILE 56 5.056 -3.313 5.425 384 HD13 ILE 56 3HD1 ILE 56 4.027 -2.629 4.167 385 H ASN 57 H ASN 57 7.602 -4.330 0.480 386 HA ASN 57 HA ASN 57 10.366 -3.734 1.130 387 HB2 ASN 57 1HB ASN 57 9.584 -5.629 -1.087 388 HB3 ASN 57 2HB ASN 57 11.136 -4.797 -1.048 389 HD21 ASN 57 1HD2 ASN 57 9.791 -7.641 -0.467 390 HD22 ASN 57 2HD2 ASN 57 10.783 -8.218 0.824 391 H CYS 58 H CYS 58 10.491 -1.650 0.641 392 HA CYS 58 HA CYS 58 8.944 -0.586 -1.597 393 HB2 CYS 58 1HB CYS 58 10.253 0.597 0.814 394 HB3 CYS 58 2HB CYS 58 10.003 1.622 -0.593 395 HG CYS 58 HG CYS 58 7.949 1.201 1.758 396 H ARG 59 H ARG 59 9.859 0.546 -3.309 397 HA ARG 59 HA ARG 59 12.781 0.306 -3.586 398 HB2 ARG 59 1HB ARG 59 10.600 -0.516 -5.442 399 HB3 ARG 59 2HB ARG 59 12.066 0.152 -6.146 400 HG2 ARG 59 1HG ARG 59 12.279 -2.031 -4.128 401 HG3 ARG 59 2HG ARG 59 11.821 -2.416 -5.788 402 HD2 ARG 59 1HD ARG 59 14.124 -2.631 -5.847 403 HD3 ARG 59 2HD ARG 59 13.882 -0.983 -6.427 404 HE ARG 59 HE ARG 59 15.040 -0.245 -4.610 405 HH11 ARG 59 1HH1 ARG 59 13.808 -3.427 -3.916 406 HH12 ARG 59 2HH1 ARG 59 14.604 -3.541 -2.381 407 HH21 ARG 59 1HH2 ARG 59 16.092 -0.384 -2.591 408 HH22 ARG 59 2HH2 ARG 59 15.901 -1.810 -1.628 409 H ASP 60 H ASP 60 13.760 1.850 -5.062 410 HA ASP 60 HA ASP 60 12.337 4.416 -4.997 411 HB2 ASP 60 1HB ASP 60 14.716 5.293 -5.529 412 HB3 ASP 60 2HB ASP 60 14.385 4.696 -3.906 413 H ASN 61 H ASN 61 11.483 5.166 -6.810 414 HA ASN 61 HA ASN 61 12.533 4.176 -9.376 415 HB2 ASN 61 1HB ASN 61 9.829 5.446 -8.992 416 HB3 ASN 61 2HB ASN 61 10.376 4.413 -10.309 417 HD21 ASN 61 1HD2 ASN 61 8.307 4.431 -7.917 418 HD22 ASN 61 2HD2 ASN 61 8.348 2.779 -7.410 419 H LYS 62 H LYS 62 13.554 5.566 -10.649 420 HA LYS 62 HA LYS 62 13.545 8.395 -9.970 421 HB2 LYS 62 1HB LYS 62 15.285 6.591 -11.570 422 HB3 LYS 62 2HB LYS 62 15.238 8.286 -12.039 423 HG2 LYS 62 1HG LYS 62 16.285 8.986 -10.145 424 HG3 LYS 62 2HG LYS 62 15.651 7.659 -9.169 425 HD2 LYS 62 1HD LYS 62 17.318 6.222 -9.794 426 HD3 LYS 62 2HD LYS 62 17.547 6.999 -11.363 427 HE2 LYS 62 1HE LYS 62 19.477 7.533 -10.144 428 HE3 LYS 62 2HE LYS 62 18.476 8.981 -10.054 429 HZ1 LYS 62 1HZ LYS 62 18.763 6.909 -7.946 430 HZ2 LYS 62 2HZ LYS 62 17.717 8.235 -7.859 431 HZ3 LYS 62 3HZ LYS 62 19.391 8.479 -7.902 432 H ASP 63 H ASP 63 11.095 7.714 -10.896 433 HA ASP 63 HA ASP 63 11.055 8.909 -13.589 434 HB2 ASP 63 1HB ASP 63 9.250 6.753 -12.477 435 HB3 ASP 63 2HB ASP 63 8.958 7.601 -13.993 436 H GLY 64 H GLY 64 8.964 8.282 -10.762 437 HA2 GLY 64 1HA GLY 64 8.407 10.792 -9.945 438 HA3 GLY 64 2HA GLY 64 7.365 10.622 -11.350 439 H SER 65 H SER 65 8.215 8.079 -9.058 440 HA SER 65 HA SER 65 5.825 8.261 -7.532 441 HB2 SER 65 1HB SER 65 4.785 6.139 -8.362 442 HB3 SER 65 2HB SER 65 4.737 7.456 -9.534 443 HG SER 65 HG SER 65 5.444 5.684 -10.631 444 H CYS 66 H CYS 66 5.464 5.961 -6.415 445 HA CYS 66 HA CYS 66 8.117 4.871 -5.751 446 HB2 CYS 66 1HB CYS 66 7.001 6.493 -4.039 447 HB3 CYS 66 2HB CYS 66 5.964 5.119 -3.676 448 HG CYS 66 HG CYS 66 8.181 5.508 -1.836 449 H SER 67 H SER 67 8.253 2.690 -5.451 450 HA SER 67 HA SER 67 5.806 1.162 -6.032 451 HB2 SER 67 1HB SER 67 8.687 0.748 -6.722 452 HB3 SER 67 2HB SER 67 7.645 -0.664 -6.548 453 HG SER 67 HG SER 67 7.785 1.131 -8.571 454 H ALA 68 H ALA 68 5.006 -0.150 -4.528 455 HA ALA 68 HA ALA 68 6.763 -1.042 -2.343 456 HB1 ALA 68 1HB ALA 68 5.056 0.920 -1.881 457 HB2 ALA 68 2HB ALA 68 3.926 -0.424 -1.712 458 HB3 ALA 68 3HB ALA 68 5.359 -0.342 -0.687 459 H GLU 69 H GLU 69 6.720 -3.170 -2.036 460 HA GLU 69 HA GLU 69 4.393 -4.679 -3.035 461 HB2 GLU 69 1HB GLU 69 5.964 -6.541 -3.517 462 HB3 GLU 69 2HB GLU 69 6.275 -5.104 -4.482 463 HG2 GLU 69 1HG GLU 69 8.213 -4.582 -3.310 464 HG3 GLU 69 2HG GLU 69 7.773 -5.602 -1.941 465 H TYR 70 H TYR 70 3.674 -6.424 -1.821 466 HA TYR 70 HA TYR 70 5.004 -6.997 0.713 467 HB2 TYR 70 1HB TYR 70 3.055 -6.613 2.052 468 HB3 TYR 70 2HB TYR 70 3.335 -5.157 1.104 469 HD1 TYR 70 2HD TYR 70 1.174 -8.104 1.517 470 HD2 TYR 70 1HD TYR 70 1.765 -4.444 -0.570 471 HE1 TYR 70 2HE TYR 70 -1.132 -8.223 0.668 472 HE2 TYR 70 1HE TYR 70 -0.540 -4.551 -1.423 473 HH TYR 70 HH TYR 70 -2.762 -5.702 -0.580 474 H ILE 71 H ILE 71 4.419 -8.997 1.641 475 HA ILE 71 HA ILE 71 2.647 -10.716 0.064 476 HB ILE 71 HB ILE 71 5.482 -11.432 0.817 477 HG12 ILE 71 1HG1 ILE 71 4.224 -11.442 -1.923 478 HG13 ILE 71 2HG1 ILE 71 5.015 -10.014 -1.265 479 HG21 ILE 71 1HG2 ILE 71 4.546 -13.482 -0.725 480 HG22 ILE 71 2HG2 ILE 71 4.666 -13.505 1.033 481 HG23 ILE 71 3HG2 ILE 71 3.138 -13.087 0.260 482 HD11 ILE 71 1HD1 ILE 71 6.516 -12.572 -1.253 483 HD12 ILE 71 2HD1 ILE 71 6.296 -11.731 -2.788 484 HD13 ILE 71 3HD1 ILE 71 7.094 -10.917 -1.442 485 HA PRO 72 HA PRO 72 1.505 -11.368 4.381 486 HB2 PRO 72 1HB PRO 72 -0.891 -12.505 3.799 487 HB3 PRO 72 2HB PRO 72 -0.631 -10.756 3.794 488 HG2 PRO 72 1HG PRO 72 -0.686 -12.670 1.493 489 HG3 PRO 72 2HG PRO 72 -1.411 -11.057 1.624 490 HD2 PRO 72 1HD PRO 72 0.923 -11.504 0.326 491 HD3 PRO 72 2HD PRO 72 0.583 -9.987 1.185 492 H PHE 73 H PHE 73 0.766 -13.331 5.583 493 HA PHE 73 HA PHE 73 1.806 -15.784 4.325 494 HB2 PHE 73 1HB PHE 73 2.058 -14.848 7.187 495 HB3 PHE 73 2HB PHE 73 2.452 -16.481 6.659 496 HD1 PHE 73 1HD PHE 73 3.200 -12.978 5.600 497 HD2 PHE 73 2HD PHE 73 4.670 -16.909 6.308 498 HE1 PHE 73 1HE PHE 73 5.469 -12.232 5.009 499 HE2 PHE 73 2HE PHE 73 6.941 -16.170 5.719 500 HZ PHE 73 HZ PHE 73 7.343 -13.829 5.070 501 H ALA 74 H ALA 74 -0.808 -14.262 5.876 502 HA ALA 74 HA ALA 74 -2.309 -16.771 5.833 503 HB1 ALA 74 1HB ALA 74 -2.142 -16.921 8.063 504 HB2 ALA 74 2HB ALA 74 -1.632 -15.241 8.237 505 HB3 ALA 74 3HB ALA 74 -3.345 -15.630 8.077 506 HA PRO 75 HA PRO 75 -5.354 -14.230 3.919 507 HB2 PRO 75 1HB PRO 75 -7.534 -15.795 4.328 508 HB3 PRO 75 2HB PRO 75 -6.280 -16.185 3.145 509 HG2 PRO 75 1HG PRO 75 -6.669 -17.250 5.916 510 HG3 PRO 75 2HG PRO 75 -6.241 -18.122 4.432 511 HD2 PRO 75 1HD PRO 75 -4.403 -17.431 6.296 512 HD3 PRO 75 2HD PRO 75 -4.022 -17.514 4.564 513 H GLY 76 H GLY 76 -7.052 -12.815 4.401 514 HA2 GLY 76 1HA GLY 76 -8.818 -12.639 6.387 515 HA3 GLY 76 2HA GLY 76 -7.338 -12.227 7.239 516 H ASP 77 H ASP 77 -8.575 -10.206 7.618 517 HA ASP 77 HA ASP 77 -8.687 -8.413 5.313 518 HB2 ASP 77 1HB ASP 77 -9.664 -6.840 7.151 519 HB3 ASP 77 2HB ASP 77 -10.648 -8.165 6.535 520 H TYR 78 H TYR 78 -6.949 -7.259 4.836 521 HA TYR 78 HA TYR 78 -5.090 -6.532 6.995 522 HB2 TYR 78 1HB TYR 78 -4.722 -6.945 4.038 523 HB3 TYR 78 2HB TYR 78 -3.544 -6.040 4.981 524 HD1 TYR 78 1HD TYR 78 -5.281 -9.332 4.848 525 HD2 TYR 78 2HD TYR 78 -1.844 -7.166 6.112 526 HE1 TYR 78 1HE TYR 78 -4.204 -11.441 5.511 527 HE2 TYR 78 2HE TYR 78 -0.757 -9.269 6.778 528 HH TYR 78 HH TYR 78 -1.926 -12.314 5.864 529 H ASP 79 H ASP 79 -4.092 -4.413 6.917 530 HA ASP 79 HA ASP 79 -5.699 -2.383 5.523 531 HB2 ASP 79 1HB ASP 79 -5.130 -2.626 8.438 532 HB3 ASP 79 2HB ASP 79 -5.142 -1.011 7.736 533 H VAL 80 H VAL 80 -4.344 -1.485 4.115 534 HA VAL 80 HA VAL 80 -1.510 -1.331 4.604 535 HB VAL 80 HB VAL 80 -3.103 -0.120 2.341 536 HG11 VAL 80 1HG1 VAL 80 -0.688 0.656 2.905 537 HG12 VAL 80 2HG1 VAL 80 -0.220 -0.898 2.213 538 HG13 VAL 80 3HG1 VAL 80 -1.110 0.271 1.237 539 HG21 VAL 80 1HG2 VAL 80 -1.761 -2.807 2.589 540 HG22 VAL 80 2HG2 VAL 80 -3.480 -2.488 2.356 541 HG23 VAL 80 3HG2 VAL 80 -2.333 -2.120 1.068 542 H ASN 81 H ASN 81 -0.755 0.147 5.977 543 HA ASN 81 HA ASN 81 -2.082 2.726 6.240 544 HB2 ASN 81 1HB ASN 81 0.116 1.358 7.786 545 HB3 ASN 81 2HB ASN 81 -0.316 3.042 8.066 546 HD21 ASN 81 1HD2 ASN 81 -1.778 -0.176 7.841 547 HD22 ASN 81 2HD2 ASN 81 -2.939 0.076 9.096 548 H ILE 82 H ILE 82 -1.472 4.424 5.088 549 HA ILE 82 HA ILE 82 1.344 4.627 4.250 550 HB ILE 82 HB ILE 82 -1.032 5.465 2.585 551 HG12 ILE 82 1HG1 ILE 82 0.873 3.291 1.808 552 HG13 ILE 82 2HG1 ILE 82 -0.432 2.923 2.930 553 HG21 ILE 82 1HG2 ILE 82 1.846 5.965 2.427 554 HG22 ILE 82 2HG2 ILE 82 1.136 5.358 0.932 555 HG23 ILE 82 3HG2 ILE 82 0.501 6.824 1.678 556 HD11 ILE 82 1HD1 ILE 82 -1.863 4.131 1.054 557 HD12 ILE 82 2HD1 ILE 82 -0.528 3.568 0.047 558 HD13 ILE 82 3HD1 ILE 82 -1.471 2.413 0.988 559 H THR 83 H THR 83 2.255 6.339 5.153 560 HA THR 83 HA THR 83 0.657 8.793 5.463 561 HB THR 83 HB THR 83 2.058 9.254 7.533 562 HG1 THR 83 1HG THR 83 3.473 7.331 6.905 563 HG21 THR 83 1HG2 THR 83 0.690 7.403 8.856 564 HG22 THR 83 2HG2 THR 83 -0.108 7.230 7.293 565 HG23 THR 83 3HG2 THR 83 -0.106 8.790 8.113 566 H TYR 84 H TYR 84 1.697 10.722 5.066 567 HA TYR 84 HA TYR 84 4.358 10.481 3.835 568 HB2 TYR 84 1HB TYR 84 2.241 11.356 2.560 569 HB3 TYR 84 2HB TYR 84 2.574 12.853 3.425 570 HD1 TYR 84 1HD TYR 84 4.763 10.324 1.749 571 HD2 TYR 84 2HD TYR 84 3.543 14.392 2.009 572 HE1 TYR 84 1HE TYR 84 6.434 10.928 0.048 573 HE2 TYR 84 2HE TYR 84 5.210 15.006 0.308 574 HH TYR 84 HH TYR 84 6.525 14.077 -1.402 575 H GLY 85 H GLY 85 5.777 10.866 5.461 576 HA2 GLY 85 1HA GLY 85 7.093 12.268 6.756 577 HA3 GLY 85 2HA GLY 85 5.955 13.571 6.445 578 H GLY 86 H GLY 86 3.805 13.342 7.600 579 HA2 GLY 86 1HA GLY 86 3.891 11.832 10.078 580 HA3 GLY 86 2HA GLY 86 3.985 13.576 10.265 581 H ALA 87 H ALA 87 2.164 12.411 7.598 582 HA ALA 87 HA ALA 87 -0.345 12.698 9.103 583 HB1 ALA 87 1HB ALA 87 -0.544 14.718 8.133 584 HB2 ALA 87 2HB ALA 87 0.615 14.337 6.859 585 HB3 ALA 87 3HB ALA 87 -1.052 13.778 6.729 586 H HIS 88 H HIS 88 -2.197 11.707 8.081 587 HA HIS 88 HA HIS 88 -1.424 9.349 6.528 588 HB2 HIS 88 1HB HIS 88 -3.706 10.008 8.344 589 HB3 HIS 88 2HB HIS 88 -3.933 8.770 7.112 590 HD1 HIS 88 1HD HIS 88 -2.845 6.513 7.505 591 HD2 HIS 88 2HD HIS 88 -1.783 9.354 10.344 592 HE1 HIS 88 1HE HIS 88 -1.646 5.241 9.313 593 HE2 HIS 88 2HE HIS 88 -1.088 6.968 11.059 594 H ILE 89 H ILE 89 -1.930 9.128 4.447 595 HA ILE 89 HA ILE 89 -3.129 11.242 2.991 596 HB ILE 89 HB ILE 89 -2.929 9.824 1.039 597 HG12 ILE 89 1HG1 ILE 89 -1.991 7.567 2.795 598 HG13 ILE 89 2HG1 ILE 89 -3.688 7.743 2.363 599 HG21 ILE 89 1HG2 ILE 89 -0.495 9.236 2.685 600 HG22 ILE 89 2HG2 ILE 89 -0.604 9.653 0.976 601 HG23 ILE 89 3HG2 ILE 89 -0.902 10.883 2.204 602 HD11 ILE 89 1HD1 ILE 89 -1.351 7.153 0.593 603 HD12 ILE 89 2HD1 ILE 89 -2.852 6.249 0.797 604 HD13 ILE 89 3HD1 ILE 89 -2.861 7.791 -0.059 605 HA PRO 90 HA PRO 90 -7.410 10.264 3.142 606 HB2 PRO 90 1HB PRO 90 -8.212 11.171 0.713 607 HB3 PRO 90 2HB PRO 90 -7.768 12.249 2.042 608 HG2 PRO 90 1HG PRO 90 -6.143 11.385 -0.319 609 HG3 PRO 90 2HG PRO 90 -6.295 12.996 0.406 610 HD2 PRO 90 1HD PRO 90 -4.177 11.378 0.882 611 HD3 PRO 90 2HD PRO 90 -4.801 12.515 2.094 612 H GLY 91 H GLY 91 -7.403 7.994 3.172 613 HA2 GLY 91 1HA GLY 91 -8.805 6.516 1.502 614 HA3 GLY 91 2HA GLY 91 -7.294 6.590 0.607 615 H SER 92 H SER 92 -6.062 6.706 3.491 616 HA SER 92 HA SER 92 -5.963 3.779 3.781 617 HB2 SER 92 1HB SER 92 -3.758 4.305 3.456 618 HB3 SER 92 2HB SER 92 -3.944 5.941 4.089 619 HG SER 92 HG SER 92 -3.604 5.233 6.078 620 HA PRO 93 HA PRO 93 -4.755 2.524 5.388 621 HB2 PRO 93 1HB PRO 93 -5.989 0.465 6.657 622 HB3 PRO 93 2HB PRO 93 -4.772 1.483 7.436 623 HG2 PRO 93 1HG PRO 93 -7.756 1.617 7.626 624 HG3 PRO 93 2HG PRO 93 -6.545 1.769 8.913 625 HD2 PRO 93 1HD PRO 93 -7.764 3.915 7.798 626 HD3 PRO 93 2HD PRO 93 -6.095 3.971 8.401 627 H PHE 94 H PHE 94 -5.083 0.970 3.794 628 HA PHE 94 HA PHE 94 -7.742 1.032 2.557 629 HB2 PHE 94 1HB PHE 94 -5.028 0.317 1.434 630 HB3 PHE 94 2HB PHE 94 -6.534 0.161 0.535 631 HD1 PHE 94 2HD PHE 94 -4.410 2.629 2.316 632 HD2 PHE 94 1HD PHE 94 -7.397 1.969 -0.643 633 HE1 PHE 94 2HE PHE 94 -4.224 4.978 1.609 634 HE2 PHE 94 1HE PHE 94 -7.216 4.317 -1.355 635 HZ PHE 94 HZ PHE 94 -5.628 5.825 -0.228 636 H ARG 95 H ARG 95 -9.002 -0.611 3.130 637 HA ARG 95 HA ARG 95 -8.051 -3.068 4.163 638 HB2 ARG 95 1HB ARG 95 -10.389 -1.860 4.372 639 HB3 ARG 95 2HB ARG 95 -10.780 -2.846 2.970 640 HG2 ARG 95 1HG ARG 95 -9.638 -4.033 5.476 641 HG3 ARG 95 2HG ARG 95 -11.371 -3.777 5.258 642 HD2 ARG 95 1HD ARG 95 -9.673 -5.315 3.307 643 HD3 ARG 95 2HD ARG 95 -10.510 -6.073 4.661 644 HE ARG 95 HE ARG 95 -12.183 -4.477 2.928 645 HH11 ARG 95 1HH1 ARG 95 -10.883 -7.633 3.613 646 HH12 ARG 95 2HH1 ARG 95 -12.132 -8.477 2.759 647 HH21 ARG 95 1HH2 ARG 95 -13.834 -5.576 1.801 648 HH22 ARG 95 2HH2 ARG 95 -13.810 -7.305 1.728 649 H VAL 96 H VAL 96 -7.407 -4.865 3.169 650 HA VAL 96 HA VAL 96 -8.118 -5.242 0.335 651 HB VAL 96 HB VAL 96 -5.426 -5.832 1.574 652 HG11 VAL 96 1HG1 VAL 96 -6.568 -6.331 -1.159 653 HG12 VAL 96 2HG1 VAL 96 -4.830 -6.222 -0.876 654 HG13 VAL 96 3HG1 VAL 96 -5.779 -7.471 -0.069 655 HG21 VAL 96 1HG2 VAL 96 -4.655 -4.094 -0.079 656 HG22 VAL 96 2HG2 VAL 96 -6.351 -3.669 -0.306 657 HG23 VAL 96 3HG2 VAL 96 -5.600 -3.482 1.278 658 HA PRO 97 HA PRO 97 -9.593 -9.095 2.043 659 HB2 PRO 97 1HB PRO 97 -10.585 -10.053 -0.295 660 HB3 PRO 97 2HB PRO 97 -11.418 -8.830 0.672 661 HG2 PRO 97 1HG PRO 97 -9.705 -8.481 -1.759 662 HG3 PRO 97 2HG PRO 97 -11.243 -7.698 -1.352 663 HD2 PRO 97 1HD PRO 97 -8.852 -6.472 -1.019 664 HD3 PRO 97 2HD PRO 97 -10.238 -6.167 0.047 665 H VAL 98 H VAL 98 -7.688 -10.168 2.536 666 HA VAL 98 HA VAL 98 -6.059 -11.283 0.407 667 HB VAL 98 HB VAL 98 -5.795 -11.537 3.406 668 HG11 VAL 98 1HG1 VAL 98 -4.059 -12.921 3.130 669 HG12 VAL 98 2HG1 VAL 98 -4.712 -13.198 1.514 670 HG13 VAL 98 3HG1 VAL 98 -3.433 -12.009 1.758 671 HG21 VAL 98 1HG2 VAL 98 -4.522 -9.710 1.387 672 HG22 VAL 98 2HG2 VAL 98 -5.411 -9.280 2.848 673 HG23 VAL 98 3HG2 VAL 98 -3.810 -10.009 2.972 674 H LYS 99 H LYS 99 -6.929 -12.997 -0.591 675 HA LYS 99 HA LYS 99 -8.402 -14.995 0.936 676 HB2 LYS 99 1HB LYS 99 -7.854 -14.904 -2.035 677 HB3 LYS 99 2HB LYS 99 -9.019 -15.932 -1.211 678 HG2 LYS 99 1HG LYS 99 -10.465 -14.161 -0.780 679 HG3 LYS 99 2HG LYS 99 -9.209 -12.949 -1.045 680 HD2 LYS 99 1HD LYS 99 -10.468 -12.799 -2.985 681 HD3 LYS 99 2HD LYS 99 -9.164 -13.888 -3.463 682 HE2 LYS 99 1HE LYS 99 -10.763 -15.773 -2.756 683 HE3 LYS 99 2HE LYS 99 -12.020 -14.538 -2.811 684 HZ1 LYS 99 1HZ LYS 99 -11.681 -15.887 -4.895 685 HZ2 LYS 99 2HZ LYS 99 -10.217 -15.066 -5.099 686 HZ3 LYS 99 3HZ LYS 99 -11.674 -14.207 -5.096 687 H ASP 100 H ASP 100 -7.962 -17.340 0.314 688 HA ASP 100 HA ASP 100 -5.054 -17.786 0.403 689 HB2 ASP 100 1HB ASP 100 -5.959 -20.121 1.288 690 HB3 ASP 100 2HB ASP 100 -5.770 -18.739 2.364 691 H VAL 101 H VAL 101 -4.123 -18.753 -1.269 692 HA VAL 101 HA VAL 101 -5.195 -19.310 -3.677 693 HB VAL 101 HB VAL 101 -3.009 -20.929 -2.363 694 HG11 VAL 101 1HG1 VAL 101 -2.374 -21.705 -4.476 695 HG12 VAL 101 2HG1 VAL 101 -4.132 -21.865 -4.468 696 HG13 VAL 101 3HG1 VAL 101 -3.371 -20.516 -5.313 697 HG21 VAL 101 1HG2 VAL 101 -3.017 -18.248 -2.859 698 HG22 VAL 101 2HG2 VAL 101 -1.572 -19.256 -2.782 699 HG23 VAL 101 3HG2 VAL 101 -2.308 -18.887 -4.342 700 H VAL 102 H VAL 102 -4.905 -21.675 -1.034 701 HA VAL 102 HA VAL 102 -6.780 -23.424 -2.481 702 HB VAL 102 HB VAL 102 -5.969 -25.263 -1.147 703 HG11 VAL 102 1HG1 VAL 102 -4.456 -25.411 -2.774 704 HG12 VAL 102 2HG1 VAL 102 -4.240 -23.660 -2.828 705 HG13 VAL 102 3HG1 VAL 102 -3.322 -24.628 -1.674 706 HG21 VAL 102 1HG2 VAL 102 -4.512 -23.115 0.350 707 HG22 VAL 102 2HG2 VAL 102 -5.550 -24.396 0.975 708 HG23 VAL 102 3HG2 VAL 102 -3.940 -24.783 0.367 709 H ASP 103 H ASP 103 -8.711 -23.950 -1.618 710 HA ASP 103 HA ASP 103 -9.271 -23.495 1.187 711 HB2 ASP 103 1HB ASP 103 -11.027 -21.914 0.899 712 HB3 ASP 103 2HB ASP 103 -9.644 -21.283 0.009 713 HA PRO 104 HA PRO 104 -11.854 -26.990 0.513 714 HB2 PRO 104 1HB PRO 104 -13.491 -26.756 2.666 715 HB3 PRO 104 2HB PRO 104 -11.807 -27.279 2.792 716 HG2 PRO 104 1HG PRO 104 -12.993 -24.576 3.291 717 HG3 PRO 104 2HG PRO 104 -11.773 -25.454 4.232 718 HD2 PRO 104 1HD PRO 104 -11.129 -23.478 2.497 719 HD3 PRO 104 2HD PRO 104 -10.063 -24.864 2.803 720 H SER 105 H SER 105 -13.581 -27.358 -0.734 721 HA SER 105 HA SER 105 -15.719 -25.330 -0.799 722 HB2 SER 105 1HB SER 105 -14.392 -25.189 -2.844 723 HB3 SER 105 2HB SER 105 -14.598 -26.918 -3.122 724 HG SER 105 HG SER 105 -16.773 -25.114 -2.928 Start of MODEL 16 1 H1 GLY 1 H GLY 1 17.142 18.477 -8.787 2 HA2 GLY 1 1HA GLY 1 17.370 21.144 -8.523 3 HA3 GLY 1 2HA GLY 1 16.397 20.427 -9.799 4 H SER 2 H SER 2 16.378 22.118 -6.788 5 HA SER 2 HA SER 2 13.550 21.882 -6.341 6 HB2 SER 2 1HB SER 2 15.683 23.637 -5.117 7 HB3 SER 2 2HB SER 2 13.988 23.711 -4.636 8 HG SER 2 HG SER 2 15.087 22.302 -3.275 9 H SER 3 H SER 3 12.056 22.912 -7.470 10 HA SER 3 HA SER 3 12.735 25.524 -8.655 11 HB2 SER 3 1HB SER 3 12.265 23.525 -10.217 12 HB3 SER 3 2HB SER 3 10.583 23.705 -9.719 13 HG SER 3 HG SER 3 10.491 25.191 -11.191 14 H GLY 4 H GLY 4 11.825 25.379 -6.035 15 HA2 GLY 4 1HA GLY 4 10.273 27.139 -5.239 16 HA3 GLY 4 2HA GLY 4 9.073 26.424 -6.305 17 H SER 5 H SER 5 10.588 26.297 -3.225 18 HA SER 5 HA SER 5 9.557 23.716 -2.486 19 HB2 SER 5 1HB SER 5 11.638 24.828 -1.517 20 HB3 SER 5 2HB SER 5 10.540 25.857 -0.597 21 HG SER 5 HG SER 5 9.781 24.084 0.477 22 H SER 6 H SER 6 7.621 23.250 -1.668 23 HA SER 6 HA SER 6 5.774 25.457 -1.141 24 HB2 SER 6 1HB SER 6 4.034 23.629 -1.190 25 HB3 SER 6 2HB SER 6 4.919 23.846 -2.700 26 HG SER 6 HG SER 6 4.673 21.622 -1.950 27 H GLY 7 H GLY 7 6.177 26.129 0.921 28 HA2 GLY 7 1HA GLY 7 6.825 24.507 3.107 29 HA3 GLY 7 2HA GLY 7 6.112 26.110 3.214 30 H GLY 8 H GLY 8 5.568 22.720 3.440 31 HA2 GLY 8 1HA GLY 8 3.660 22.305 5.067 32 HA3 GLY 8 2HA GLY 8 2.692 23.198 3.903 33 H CYS 9 H CYS 9 4.267 20.191 4.625 34 HA CYS 9 HA CYS 9 4.114 18.848 2.218 35 HB2 CYS 9 1HB CYS 9 3.858 16.772 3.610 36 HB3 CYS 9 2HB CYS 9 5.193 17.813 4.089 37 HG CYS 9 HG CYS 9 4.519 17.727 6.558 38 H GLN 10 H GLN 10 2.543 17.892 1.038 39 HA GLN 10 HA GLN 10 -0.217 18.177 2.024 40 HB2 GLN 10 1HB GLN 10 0.932 18.346 -0.754 41 HB3 GLN 10 2HB GLN 10 -0.785 18.089 -0.474 42 HG2 GLN 10 1HG GLN 10 -0.910 20.185 0.758 43 HG3 GLN 10 2HG GLN 10 0.817 20.441 0.508 44 HE21 GLN 10 1HE2 GLN 10 0.643 22.302 -0.654 45 HE22 GLN 10 2HE2 GLN 10 -0.054 22.383 -2.233 46 HA PRO 11 HA PRO 11 0.358 13.652 1.871 47 HB2 PRO 11 1HB PRO 11 -1.511 13.147 3.775 48 HB3 PRO 11 2HB PRO 11 0.156 13.594 4.159 49 HG2 PRO 11 1HG PRO 11 -2.302 15.303 4.117 50 HG3 PRO 11 2HG PRO 11 -0.986 15.264 5.305 51 HD2 PRO 11 1HD PRO 11 -1.149 17.154 3.373 52 HD3 PRO 11 2HD PRO 11 0.402 16.558 3.997 53 H SER 12 H SER 12 -2.157 15.773 1.093 54 HA SER 12 HA SER 12 -4.077 13.708 0.400 55 HB2 SER 12 1HB SER 12 -5.248 15.561 1.117 56 HB3 SER 12 2HB SER 12 -4.079 16.694 0.441 57 HG SER 12 HG SER 12 -6.049 16.661 -0.737 58 H ARG 13 H ARG 13 -1.559 15.525 -1.093 59 HA ARG 13 HA ARG 13 -2.462 15.295 -3.787 60 HB2 ARG 13 1HB ARG 13 0.261 15.840 -2.601 61 HB3 ARG 13 2HB ARG 13 -0.060 15.847 -4.330 62 HG2 ARG 13 1HG ARG 13 -1.763 17.545 -2.590 63 HG3 ARG 13 2HG ARG 13 -0.102 18.058 -2.896 64 HD2 ARG 13 1HD ARG 13 -1.352 19.084 -4.587 65 HD3 ARG 13 2HD ARG 13 -0.630 17.677 -5.366 66 HE ARG 13 HE ARG 13 -2.733 16.890 -5.747 67 HH11 ARG 13 1HH1 ARG 13 -2.867 19.178 -3.126 68 HH12 ARG 13 2HH1 ARG 13 -4.594 19.126 -2.997 69 HH21 ARG 13 1HH2 ARG 13 -5.006 16.813 -5.587 70 HH22 ARG 13 2HH2 ARG 13 -5.810 17.780 -4.397 71 H VAL 14 H VAL 14 -1.060 13.110 -1.585 72 HA VAL 14 HA VAL 14 0.219 11.422 -3.536 73 HB VAL 14 HB VAL 14 -0.533 10.662 -0.716 74 HG11 VAL 14 1HG1 VAL 14 0.637 9.228 -2.800 75 HG12 VAL 14 2HG1 VAL 14 1.974 9.662 -1.733 76 HG13 VAL 14 3HG1 VAL 14 0.587 8.779 -1.096 77 HG21 VAL 14 1HG2 VAL 14 0.743 12.832 -0.864 78 HG22 VAL 14 2HG2 VAL 14 1.520 11.554 0.070 79 HG23 VAL 14 3HG2 VAL 14 2.071 11.909 -1.567 80 H GLN 15 H GLN 15 -0.519 9.514 -4.389 81 HA GLN 15 HA GLN 15 -3.280 8.731 -3.752 82 HB2 GLN 15 1HB GLN 15 -2.119 8.837 -6.540 83 HB3 GLN 15 2HB GLN 15 -3.757 8.368 -6.105 84 HG2 GLN 15 1HG GLN 15 -4.309 10.579 -5.448 85 HG3 GLN 15 2HG GLN 15 -2.626 11.095 -5.549 86 HE21 GLN 15 1HE2 GLN 15 -4.776 9.292 -7.722 87 HE22 GLN 15 2HE2 GLN 15 -4.536 10.320 -9.090 88 H ALA 16 H ALA 16 -3.790 6.521 -4.129 89 HA ALA 16 HA ALA 16 -1.518 4.743 -4.653 90 HB1 ALA 16 1HB ALA 16 -2.014 3.362 -2.736 91 HB2 ALA 16 2HB ALA 16 -1.715 5.018 -2.207 92 HB3 ALA 16 3HB ALA 16 -3.366 4.405 -2.295 93 H GLN 17 H GLN 17 -2.076 3.419 -6.241 94 HA GLN 17 HA GLN 17 -4.732 2.201 -6.230 95 HB2 GLN 17 1HB GLN 17 -5.182 2.712 -8.522 96 HB3 GLN 17 2HB GLN 17 -4.792 4.224 -7.712 97 HG2 GLN 17 1HG GLN 17 -3.542 4.490 -9.578 98 HG3 GLN 17 2HG GLN 17 -2.364 3.637 -8.582 99 HE21 GLN 17 1HE2 GLN 17 -1.600 1.725 -9.252 100 HE22 GLN 17 2HE2 GLN 17 -2.130 0.894 -10.671 101 H GLY 18 H GLY 18 -4.856 0.202 -7.313 102 HA2 GLY 18 1HA GLY 18 -3.373 -1.163 -8.982 103 HA3 GLY 18 2HA GLY 18 -2.240 -1.081 -7.642 104 HA PRO 19 HA PRO 19 -4.969 -4.864 -7.236 105 HB2 PRO 19 1HB PRO 19 -2.937 -6.662 -7.148 106 HB3 PRO 19 2HB PRO 19 -3.687 -6.134 -8.658 107 HG2 PRO 19 1HG PRO 19 -1.136 -5.217 -7.388 108 HG3 PRO 19 2HG PRO 19 -1.470 -5.581 -9.091 109 HD2 PRO 19 1HD PRO 19 -1.403 -3.051 -8.127 110 HD3 PRO 19 2HD PRO 19 -2.468 -3.537 -9.462 111 H GLY 20 H GLY 20 -1.810 -4.198 -5.725 112 HA2 GLY 20 1HA GLY 20 -2.163 -5.656 -3.380 113 HA3 GLY 20 2HA GLY 20 -1.149 -4.228 -3.528 114 H LEU 21 H LEU 21 -3.829 -2.872 -4.398 115 HA LEU 21 HA LEU 21 -4.647 -2.246 -1.644 116 HB2 LEU 21 1HB LEU 21 -5.089 -0.618 -4.140 117 HB3 LEU 21 2HB LEU 21 -5.416 -0.120 -2.481 118 HG LEU 21 HG LEU 21 -2.650 -0.742 -3.499 119 HD11 LEU 21 1HD1 LEU 21 -3.653 2.039 -3.102 120 HD12 LEU 21 2HD1 LEU 21 -3.966 1.208 -4.625 121 HD13 LEU 21 3HD1 LEU 21 -2.307 1.455 -4.081 122 HD21 LEU 21 1HD2 LEU 21 -3.628 -0.448 -0.937 123 HD22 LEU 21 2HD2 LEU 21 -2.981 1.149 -1.316 124 HD23 LEU 21 3HD2 LEU 21 -1.945 -0.274 -1.436 125 H LYS 22 H LYS 22 -5.750 -3.426 -4.708 126 HA LYS 22 HA LYS 22 -8.556 -3.185 -4.017 127 HB2 LYS 22 1HB LYS 22 -7.742 -2.902 -6.357 128 HB3 LYS 22 2HB LYS 22 -7.280 -4.599 -6.365 129 HG2 LYS 22 1HG LYS 22 -9.745 -5.048 -5.772 130 HG3 LYS 22 2HG LYS 22 -10.017 -3.392 -6.321 131 HD2 LYS 22 1HD LYS 22 -8.520 -5.362 -8.018 132 HD3 LYS 22 2HD LYS 22 -10.285 -5.315 -8.019 133 HE2 LYS 22 1HE LYS 22 -8.612 -2.863 -8.492 134 HE3 LYS 22 2HE LYS 22 -9.079 -3.948 -9.801 135 HZ1 LYS 22 1HZ LYS 22 -11.210 -3.030 -8.041 136 HZ2 LYS 22 2HZ LYS 22 -11.220 -3.281 -9.714 137 HZ3 LYS 22 3HZ LYS 22 -10.537 -1.872 -9.074 138 H GLU 23 H GLU 23 -6.280 -5.848 -4.679 139 HA GLU 23 HA GLU 23 -7.427 -7.459 -2.607 140 HB2 GLU 23 1HB GLU 23 -9.097 -8.205 -3.980 141 HB3 GLU 23 2HB GLU 23 -8.175 -7.900 -5.446 142 HG2 GLU 23 1HG GLU 23 -6.867 -9.892 -5.090 143 HG3 GLU 23 2HG GLU 23 -7.663 -10.174 -3.543 144 H ALA 24 H ALA 24 -6.217 -9.366 -2.184 145 HA ALA 24 HA ALA 24 -3.819 -9.822 -3.779 146 HB1 ALA 24 1HB ALA 24 -2.975 -8.215 -2.253 147 HB2 ALA 24 2HB ALA 24 -3.765 -9.000 -0.884 148 HB3 ALA 24 3HB ALA 24 -2.411 -9.790 -1.693 149 H PHE 25 H PHE 25 -2.485 -11.640 -2.463 150 HA PHE 25 HA PHE 25 -4.390 -13.636 -1.462 151 HB2 PHE 25 1HB PHE 25 -2.568 -13.867 -3.816 152 HB3 PHE 25 2HB PHE 25 -2.832 -15.294 -2.819 153 HD1 PHE 25 1HD PHE 25 -5.002 -16.362 -2.721 154 HD2 PHE 25 2HD PHE 25 -4.345 -12.929 -5.151 155 HE1 PHE 25 1HE PHE 25 -7.107 -16.808 -3.914 156 HE2 PHE 25 2HE PHE 25 -6.450 -13.368 -6.346 157 HZ PHE 25 HZ PHE 25 -7.834 -15.309 -5.729 158 H THR 26 H THR 26 -3.202 -15.554 -0.500 159 HA THR 26 HA THR 26 -1.289 -14.559 1.395 160 HB THR 26 HB THR 26 -1.320 -16.851 2.321 161 HG1 THR 26 1HG THR 26 -1.960 -17.592 -0.048 162 HG21 THR 26 1HG2 THR 26 -3.045 -15.968 3.435 163 HG22 THR 26 2HG2 THR 26 -4.095 -16.784 2.276 164 HG23 THR 26 3HG2 THR 26 -3.618 -15.109 2.006 165 H ASN 27 H ASN 27 0.867 -14.753 1.376 166 HA ASN 27 HA ASN 27 2.977 -15.212 0.663 167 HB2 ASN 27 1HB ASN 27 1.656 -17.796 -0.191 168 HB3 ASN 27 2HB ASN 27 3.396 -17.525 -0.195 169 HD21 ASN 27 1HD2 ASN 27 0.689 -16.974 2.038 170 HD22 ASN 27 2HD2 ASN 27 1.471 -17.658 3.419 171 H LYS 28 H LYS 28 0.989 -13.933 -1.147 172 HA LYS 28 HA LYS 28 2.286 -14.552 -3.720 173 HB2 LYS 28 1HB LYS 28 -0.518 -13.740 -3.045 174 HB3 LYS 28 2HB LYS 28 0.148 -13.334 -4.621 175 HG2 LYS 28 1HG LYS 28 0.780 -15.898 -4.621 176 HG3 LYS 28 2HG LYS 28 -0.567 -15.979 -3.483 177 HD2 LYS 28 1HD LYS 28 -2.114 -15.371 -5.061 178 HD3 LYS 28 2HD LYS 28 -0.944 -14.453 -6.011 179 HE2 LYS 28 1HE LYS 28 -0.072 -16.379 -7.010 180 HE3 LYS 28 2HE LYS 28 -0.766 -17.438 -5.784 181 HZ1 LYS 28 1HZ LYS 28 -2.710 -17.538 -6.860 182 HZ2 LYS 28 2HZ LYS 28 -1.832 -17.015 -8.208 183 HZ3 LYS 28 3HZ LYS 28 -2.700 -15.899 -7.279 184 HA PRO 29 HA PRO 29 3.975 -10.487 -3.691 185 HB2 PRO 29 1HB PRO 29 4.364 -10.162 -6.358 186 HB3 PRO 29 2HB PRO 29 5.373 -11.218 -5.361 187 HG2 PRO 29 1HG PRO 29 3.080 -11.926 -7.151 188 HG3 PRO 29 2HG PRO 29 4.641 -12.744 -6.956 189 HD2 PRO 29 1HD PRO 29 2.373 -13.633 -5.773 190 HD3 PRO 29 2HD PRO 29 3.976 -13.829 -5.034 191 H ASN 30 H ASN 30 2.696 -8.808 -3.216 192 HA ASN 30 HA ASN 30 0.724 -7.954 -5.232 193 HB2 ASN 30 1HB ASN 30 0.322 -7.316 -2.337 194 HB3 ASN 30 2HB ASN 30 -0.873 -7.498 -3.618 195 HD21 ASN 30 1HD2 ASN 30 0.838 -9.024 -1.102 196 HD22 ASN 30 2HD2 ASN 30 0.171 -10.606 -1.293 197 H VAL 31 H VAL 31 1.198 -6.048 -6.085 198 HA VAL 31 HA VAL 31 2.599 -4.061 -4.419 199 HB VAL 31 HB VAL 31 3.859 -3.300 -6.334 200 HG11 VAL 31 1HG1 VAL 31 5.442 -4.967 -6.349 201 HG12 VAL 31 2HG1 VAL 31 4.498 -5.416 -4.927 202 HG13 VAL 31 3HG1 VAL 31 4.243 -6.255 -6.458 203 HG21 VAL 31 1HG2 VAL 31 3.610 -4.040 -8.501 204 HG22 VAL 31 2HG2 VAL 31 2.897 -5.576 -8.009 205 HG23 VAL 31 3HG2 VAL 31 1.943 -4.096 -7.926 206 H PHE 32 H PHE 32 2.440 -1.813 -5.484 207 HA PHE 32 HA PHE 32 0.083 -1.311 -7.052 208 HB2 PHE 32 1HB PHE 32 -0.929 0.197 -5.282 209 HB3 PHE 32 2HB PHE 32 -1.069 -1.532 -4.982 210 HD1 PHE 32 1HD PHE 32 1.053 1.410 -4.164 211 HD2 PHE 32 2HD PHE 32 -0.381 -2.411 -2.955 212 HE1 PHE 32 1HE PHE 32 2.110 1.713 -1.964 213 HE2 PHE 32 2HE PHE 32 0.673 -2.113 -0.753 214 HZ PHE 32 HZ PHE 32 1.921 -0.049 -0.254 215 H THR 33 H THR 33 -0.153 0.952 -7.617 216 HA THR 33 HA THR 33 2.439 2.272 -7.732 217 HB THR 33 HB THR 33 -0.162 3.011 -9.088 218 HG1 THR 33 1HG THR 33 1.213 0.967 -9.615 219 HG21 THR 33 1HG2 THR 33 0.987 4.634 -10.287 220 HG22 THR 33 2HG2 THR 33 2.562 3.922 -9.937 221 HG23 THR 33 3HG2 THR 33 1.687 4.791 -8.677 222 H VAL 34 H VAL 34 2.957 4.129 -6.720 223 HA VAL 34 HA VAL 34 0.835 5.516 -5.216 224 HB VAL 34 HB VAL 34 3.654 4.979 -4.268 225 HG11 VAL 34 1HG1 VAL 34 3.138 6.190 -2.299 226 HG12 VAL 34 2HG1 VAL 34 2.659 7.217 -3.652 227 HG13 VAL 34 3HG1 VAL 34 1.437 6.326 -2.744 228 HG21 VAL 34 1HG2 VAL 34 2.872 3.160 -3.261 229 HG22 VAL 34 2HG2 VAL 34 1.572 4.083 -2.508 230 HG23 VAL 34 3HG2 VAL 34 1.345 3.389 -4.113 231 H VAL 35 H VAL 35 0.572 7.314 -6.422 232 HA VAL 35 HA VAL 35 2.796 8.692 -7.624 233 HB VAL 35 HB VAL 35 -0.102 9.513 -7.391 234 HG11 VAL 35 1HG1 VAL 35 0.351 11.410 -8.497 235 HG12 VAL 35 2HG1 VAL 35 2.007 11.153 -7.944 236 HG13 VAL 35 3HG1 VAL 35 1.523 10.626 -9.556 237 HG21 VAL 35 1HG2 VAL 35 1.164 7.542 -8.989 238 HG22 VAL 35 2HG2 VAL 35 -0.516 8.078 -9.034 239 HG23 VAL 35 3HG2 VAL 35 0.691 8.873 -10.044 240 H THR 36 H THR 36 4.104 9.966 -6.505 241 HA THR 36 HA THR 36 2.948 11.688 -4.416 242 HB THR 36 HB THR 36 4.917 11.405 -3.026 243 HG1 THR 36 1HG THR 36 6.339 9.539 -3.780 244 HG21 THR 36 1HG2 THR 36 3.958 9.638 -2.065 245 HG22 THR 36 2HG2 THR 36 4.537 8.574 -3.346 246 HG23 THR 36 3HG2 THR 36 2.998 9.415 -3.526 247 H ARG 37 H ARG 37 3.361 12.448 -7.084 248 HA ARG 37 HA ARG 37 5.859 13.899 -7.238 249 HB2 ARG 37 1HB ARG 37 4.611 14.827 -9.362 250 HB3 ARG 37 2HB ARG 37 5.271 13.197 -9.348 251 HG2 ARG 37 1HG ARG 37 3.207 12.211 -9.259 252 HG3 ARG 37 2HG ARG 37 2.454 13.606 -8.484 253 HD2 ARG 37 1HD ARG 37 3.286 13.340 -11.368 254 HD3 ARG 37 2HD ARG 37 1.644 13.454 -10.736 255 HE ARG 37 HE ARG 37 2.830 15.746 -9.886 256 HH11 ARG 37 1HH1 ARG 37 2.448 14.213 -12.988 257 HH12 ARG 37 2HH1 ARG 37 2.432 15.705 -13.869 258 HH21 ARG 37 1HH2 ARG 37 2.809 17.717 -11.035 259 HH22 ARG 37 2HH2 ARG 37 2.638 17.697 -12.757 260 H GLY 38 H GLY 38 6.042 15.640 -5.966 261 HA2 GLY 38 1HA GLY 38 5.687 17.869 -5.410 262 HA3 GLY 38 2HA GLY 38 4.209 17.842 -6.360 263 H ALA 39 H ALA 39 4.595 15.324 -4.063 264 HA ALA 39 HA ALA 39 2.253 16.015 -2.659 265 HB1 ALA 39 1HB ALA 39 2.443 13.906 -2.007 266 HB2 ALA 39 2HB ALA 39 4.044 13.828 -2.744 267 HB3 ALA 39 3HB ALA 39 3.872 14.310 -1.056 268 H GLY 40 H GLY 40 5.685 16.237 -1.725 269 HA2 GLY 40 1HA GLY 40 5.538 18.664 -0.417 270 HA3 GLY 40 2HA GLY 40 5.138 17.456 0.795 271 H ILE 41 H ILE 41 7.029 18.079 1.954 272 HA ILE 41 HA ILE 41 9.479 16.897 0.828 273 HB ILE 41 HB ILE 41 9.404 19.360 2.573 274 HG12 ILE 41 1HG1 ILE 41 8.515 19.750 0.275 275 HG13 ILE 41 2HG1 ILE 41 10.001 20.633 0.605 276 HG21 ILE 41 1HG2 ILE 41 11.817 19.493 1.821 277 HG22 ILE 41 2HG2 ILE 41 11.424 18.204 2.958 278 HG23 ILE 41 3HG2 ILE 41 11.629 17.837 1.245 279 HD11 ILE 41 1HD1 ILE 41 11.054 19.645 -1.076 280 HD12 ILE 41 2HD1 ILE 41 10.527 18.042 -0.563 281 HD13 ILE 41 3HD1 ILE 41 9.480 19.031 -1.579 282 H GLY 42 H GLY 42 9.236 14.977 1.960 283 HA2 GLY 42 1HA GLY 42 10.170 15.015 4.665 284 HA3 GLY 42 2HA GLY 42 8.470 14.581 4.568 285 H GLY 43 H GLY 43 8.112 12.470 4.563 286 HA2 GLY 43 1HA GLY 43 9.787 10.728 2.932 287 HA3 GLY 43 2HA GLY 43 9.784 10.409 4.661 288 H LEU 44 H LEU 44 8.856 8.741 2.424 289 HA LEU 44 HA LEU 44 5.974 8.612 2.951 290 HB2 LEU 44 1HB LEU 44 6.561 8.643 0.622 291 HB3 LEU 44 2HB LEU 44 7.694 7.312 0.847 292 HG LEU 44 HG LEU 44 5.763 5.838 1.385 293 HD11 LEU 44 1HD1 LEU 44 4.330 7.952 1.943 294 HD12 LEU 44 2HD1 LEU 44 3.574 6.516 1.253 295 HD13 LEU 44 3HD1 LEU 44 3.948 7.898 0.222 296 HD21 LEU 44 1HD2 LEU 44 5.505 5.294 -0.792 297 HD22 LEU 44 2HD2 LEU 44 6.785 6.487 -1.012 298 HD23 LEU 44 3HD2 LEU 44 5.100 6.942 -1.271 299 H GLY 45 H GLY 45 5.176 7.142 4.300 300 HA2 GLY 45 1HA GLY 45 6.859 4.798 4.944 301 HA3 GLY 45 2HA GLY 45 5.873 5.630 6.137 302 H ILE 46 H ILE 46 5.999 3.117 3.881 303 HA ILE 46 HA ILE 46 3.076 2.770 3.982 304 HB ILE 46 HB ILE 46 5.065 1.587 2.042 305 HG12 ILE 46 1HG1 ILE 46 2.852 3.593 1.568 306 HG13 ILE 46 2HG1 ILE 46 4.551 4.017 1.752 307 HG21 ILE 46 1HG2 ILE 46 2.225 1.388 1.404 308 HG22 ILE 46 2HG2 ILE 46 3.499 0.175 1.296 309 HG23 ILE 46 3HG2 ILE 46 2.694 0.472 2.836 310 HD11 ILE 46 1HD1 ILE 46 3.977 3.976 -0.575 311 HD12 ILE 46 2HD1 ILE 46 5.065 2.633 -0.225 312 HD13 ILE 46 3HD1 ILE 46 3.338 2.339 -0.429 313 H THR 47 H THR 47 2.273 1.154 5.146 314 HA THR 47 HA THR 47 3.925 -1.203 5.688 315 HB THR 47 HB THR 47 2.912 -1.087 8.098 316 HG1 THR 47 1HG THR 47 2.169 0.814 8.703 317 HG21 THR 47 1HG2 THR 47 4.902 0.218 8.856 318 HG22 THR 47 2HG2 THR 47 5.228 0.611 7.168 319 HG23 THR 47 3HG2 THR 47 5.284 -1.066 7.710 320 H VAL 48 H VAL 48 2.677 -3.033 6.519 321 HA VAL 48 HA VAL 48 -0.179 -2.878 5.810 322 HB VAL 48 HB VAL 48 1.776 -5.078 5.149 323 HG11 VAL 48 1HG1 VAL 48 -0.752 -5.663 4.066 324 HG12 VAL 48 2HG1 VAL 48 0.123 -6.552 5.314 325 HG13 VAL 48 3HG1 VAL 48 -1.012 -5.281 5.767 326 HG21 VAL 48 1HG2 VAL 48 1.899 -3.524 3.437 327 HG22 VAL 48 2HG2 VAL 48 0.667 -4.639 2.845 328 HG23 VAL 48 3HG2 VAL 48 0.192 -3.099 3.561 329 H GLU 49 H GLU 49 -1.505 -3.479 7.387 330 HA GLU 49 HA GLU 49 -0.413 -5.114 9.581 331 HB2 GLU 49 1HB GLU 49 -2.430 -2.889 9.551 332 HB3 GLU 49 2HB GLU 49 -2.410 -4.063 10.859 333 HG2 GLU 49 1HG GLU 49 0.005 -3.478 11.210 334 HG3 GLU 49 2HG GLU 49 -0.230 -2.153 10.071 335 H GLY 50 H GLY 50 -1.572 -6.857 10.345 336 HA2 GLY 50 1HA GLY 50 -4.241 -7.456 9.655 337 HA3 GLY 50 2HA GLY 50 -3.162 -8.276 8.535 338 HA PRO 51 HA PRO 51 -3.816 -11.013 12.227 339 HB2 PRO 51 1HB PRO 51 -4.337 -13.248 10.778 340 HB3 PRO 51 2HB PRO 51 -5.587 -12.082 11.227 341 HG2 PRO 51 1HG PRO 51 -4.116 -12.377 8.637 342 HG3 PRO 51 2HG PRO 51 -5.841 -12.077 8.916 343 HD2 PRO 51 1HD PRO 51 -4.111 -10.107 8.241 344 HD3 PRO 51 2HD PRO 51 -5.519 -9.825 9.284 345 H SER 52 H SER 52 -1.638 -10.657 9.719 346 HA SER 52 HA SER 52 0.354 -12.227 11.084 347 HB2 SER 52 1HB SER 52 0.870 -13.764 9.348 348 HB3 SER 52 2HB SER 52 -0.881 -13.846 9.542 349 HG SER 52 HG SER 52 0.553 -12.416 7.554 350 H GLU 53 H GLU 53 2.469 -11.687 10.490 351 HA GLU 53 HA GLU 53 2.786 -9.065 9.431 352 HB2 GLU 53 1HB GLU 53 4.258 -9.957 11.182 353 HB3 GLU 53 2HB GLU 53 4.868 -11.165 10.060 354 HG2 GLU 53 1HG GLU 53 5.603 -9.208 8.609 355 HG3 GLU 53 2HG GLU 53 5.298 -8.200 10.022 356 H SER 54 H SER 54 3.218 -8.405 7.422 357 HA SER 54 HA SER 54 3.669 -10.467 5.374 358 HB2 SER 54 1HB SER 54 2.684 -7.641 4.939 359 HB3 SER 54 2HB SER 54 2.673 -8.968 3.778 360 HG SER 54 HG SER 54 1.207 -8.885 6.209 361 H LYS 55 H LYS 55 5.294 -10.245 3.857 362 HA LYS 55 HA LYS 55 7.582 -8.727 4.708 363 HB2 LYS 55 1HB LYS 55 7.014 -10.764 2.614 364 HB3 LYS 55 2HB LYS 55 8.397 -9.708 2.363 365 HG2 LYS 55 1HG LYS 55 9.084 -10.386 4.745 366 HG3 LYS 55 2HG LYS 55 7.926 -11.703 4.543 367 HD2 LYS 55 1HD LYS 55 9.241 -11.999 2.256 368 HD3 LYS 55 2HD LYS 55 10.527 -11.225 3.186 369 HE2 LYS 55 1HE LYS 55 9.028 -13.494 4.406 370 HE3 LYS 55 2HE LYS 55 10.237 -13.842 3.171 371 HZ1 LYS 55 1HZ LYS 55 10.745 -13.523 5.805 372 HZ2 LYS 55 2HZ LYS 55 11.145 -12.001 5.185 373 HZ3 LYS 55 3HZ LYS 55 11.894 -13.388 4.571 374 H ILE 56 H ILE 56 7.186 -6.559 4.459 375 HA ILE 56 HA ILE 56 6.280 -5.556 1.879 376 HB ILE 56 HB ILE 56 6.785 -4.232 4.532 377 HG12 ILE 56 1HG1 ILE 56 4.289 -4.166 2.850 378 HG13 ILE 56 2HG1 ILE 56 4.628 -5.515 3.929 379 HG21 ILE 56 1HG2 ILE 56 7.630 -2.738 2.802 380 HG22 ILE 56 2HG2 ILE 56 6.106 -2.874 1.927 381 HG23 ILE 56 3HG2 ILE 56 6.146 -2.103 3.512 382 HD11 ILE 56 1HD1 ILE 56 3.578 -2.902 4.521 383 HD12 ILE 56 2HD1 ILE 56 3.631 -4.352 5.524 384 HD13 ILE 56 3HD1 ILE 56 5.009 -3.252 5.490 385 H ASN 57 H ASN 57 7.470 -4.183 0.559 386 HA ASN 57 HA ASN 57 10.238 -3.607 1.249 387 HB2 ASN 57 1HB ASN 57 9.419 -5.353 -1.072 388 HB3 ASN 57 2HB ASN 57 10.966 -4.513 -1.025 389 HD21 ASN 57 1HD2 ASN 57 9.435 -7.344 -0.349 390 HD22 ASN 57 2HD2 ASN 57 10.552 -8.010 0.789 391 H CYS 58 H CYS 58 10.320 -1.483 0.938 392 HA CYS 58 HA CYS 58 8.689 -0.186 -1.063 393 HB2 CYS 58 1HB CYS 58 9.560 1.893 -0.151 394 HB3 CYS 58 2HB CYS 58 9.055 0.835 1.161 395 HG CYS 58 HG CYS 58 12.251 1.570 0.206 396 H ARG 59 H ARG 59 9.325 0.597 -2.993 397 HA ARG 59 HA ARG 59 12.189 0.536 -3.648 398 HB2 ARG 59 1HB ARG 59 9.942 -0.851 -5.033 399 HB3 ARG 59 2HB ARG 59 11.237 -0.184 -6.018 400 HG2 ARG 59 1HG ARG 59 11.774 -2.014 -3.701 401 HG3 ARG 59 2HG ARG 59 11.441 -2.615 -5.327 402 HD2 ARG 59 1HD ARG 59 13.339 -1.367 -6.196 403 HD3 ARG 59 2HD ARG 59 13.651 -0.697 -4.595 404 HE ARG 59 HE ARG 59 14.738 -2.628 -4.061 405 HH11 ARG 59 1HH1 ARG 59 12.654 -3.242 -6.781 406 HH12 ARG 59 2HH1 ARG 59 13.224 -4.860 -7.020 407 HH21 ARG 59 1HH2 ARG 59 15.497 -4.758 -4.365 408 HH22 ARG 59 2HH2 ARG 59 14.841 -5.722 -5.644 409 H ASP 60 H ASP 60 12.806 1.919 -5.412 410 HA ASP 60 HA ASP 60 10.918 4.146 -5.811 411 HB2 ASP 60 1HB ASP 60 13.938 4.147 -5.687 412 HB3 ASP 60 2HB ASP 60 12.980 5.537 -6.190 413 H ASN 61 H ASN 61 10.503 4.867 -7.842 414 HA ASN 61 HA ASN 61 11.720 3.338 -10.043 415 HB2 ASN 61 1HB ASN 61 9.104 4.842 -10.145 416 HB3 ASN 61 2HB ASN 61 9.704 3.644 -11.288 417 HD21 ASN 61 1HD2 ASN 61 7.539 4.109 -8.928 418 HD22 ASN 61 2HD2 ASN 61 7.369 2.494 -8.338 419 H LYS 62 H LYS 62 12.517 4.383 -11.838 420 HA LYS 62 HA LYS 62 13.266 7.150 -11.441 421 HB2 LYS 62 1HB LYS 62 14.010 5.011 -13.405 422 HB3 LYS 62 2HB LYS 62 14.389 6.692 -13.758 423 HG2 LYS 62 1HG LYS 62 15.225 5.344 -11.207 424 HG3 LYS 62 2HG LYS 62 16.213 5.329 -12.670 425 HD2 LYS 62 1HD LYS 62 16.417 7.703 -12.649 426 HD3 LYS 62 2HD LYS 62 15.203 7.856 -11.378 427 HE2 LYS 62 1HE LYS 62 17.146 8.086 -10.170 428 HE3 LYS 62 2HE LYS 62 16.857 6.354 -10.024 429 HZ1 LYS 62 1HZ LYS 62 18.436 5.940 -11.764 430 HZ2 LYS 62 2HZ LYS 62 19.172 6.902 -10.583 431 HZ3 LYS 62 3HZ LYS 62 18.652 7.596 -12.036 432 H ASP 63 H ASP 63 10.508 6.852 -11.766 433 HA ASP 63 HA ASP 63 10.100 8.150 -14.380 434 HB2 ASP 63 1HB ASP 63 9.025 6.022 -14.521 435 HB3 ASP 63 2HB ASP 63 8.305 6.209 -12.924 436 H GLY 64 H GLY 64 9.297 8.030 -10.970 437 HA2 GLY 64 1HA GLY 64 9.115 10.387 -10.051 438 HA3 GLY 64 2HA GLY 64 7.856 10.591 -11.261 439 H SER 65 H SER 65 7.674 7.471 -10.210 440 HA SER 65 HA SER 65 5.700 8.170 -8.135 441 HB2 SER 65 1HB SER 65 4.540 6.018 -8.864 442 HB3 SER 65 2HB SER 65 4.458 7.368 -9.996 443 HG SER 65 HG SER 65 5.079 5.177 -10.815 444 H CYS 66 H CYS 66 5.225 6.295 -6.642 445 HA CYS 66 HA CYS 66 7.744 4.917 -5.984 446 HB2 CYS 66 1HB CYS 66 5.655 6.211 -4.281 447 HB3 CYS 66 2HB CYS 66 6.544 4.839 -3.632 448 HG CYS 66 HG CYS 66 7.403 7.843 -3.353 449 H SER 67 H SER 67 7.682 2.766 -5.336 450 HA SER 67 HA SER 67 5.115 1.382 -5.765 451 HB2 SER 67 1HB SER 67 7.825 0.811 -6.882 452 HB3 SER 67 2HB SER 67 6.779 -0.555 -6.496 453 HG SER 67 HG SER 67 6.109 -0.107 -8.471 454 H ALA 68 H ALA 68 4.575 -0.211 -4.346 455 HA ALA 68 HA ALA 68 6.539 -0.965 -2.297 456 HB1 ALA 68 1HB ALA 68 3.889 -0.729 -1.169 457 HB2 ALA 68 2HB ALA 68 5.417 -0.042 -0.614 458 HB3 ALA 68 3HB ALA 68 4.455 0.809 -1.822 459 H GLU 69 H GLU 69 6.697 -3.099 -2.182 460 HA GLU 69 HA GLU 69 4.405 -4.729 -3.050 461 HB2 GLU 69 1HB GLU 69 5.969 -6.468 -3.621 462 HB3 GLU 69 2HB GLU 69 6.506 -4.967 -4.364 463 HG2 GLU 69 1HG GLU 69 8.230 -4.689 -2.759 464 HG3 GLU 69 2HG GLU 69 7.594 -5.993 -1.759 465 H TYR 70 H TYR 70 3.628 -6.358 -1.771 466 HA TYR 70 HA TYR 70 4.946 -6.880 0.788 467 HB2 TYR 70 1HB TYR 70 2.929 -6.539 2.064 468 HB3 TYR 70 2HB TYR 70 3.256 -5.076 1.140 469 HD1 TYR 70 2HD TYR 70 1.070 -8.022 1.428 470 HD2 TYR 70 1HD TYR 70 1.759 -4.339 -0.587 471 HE1 TYR 70 2HE TYR 70 -1.196 -8.125 0.479 472 HE2 TYR 70 1HE TYR 70 -0.506 -4.431 -1.541 473 HH TYR 70 HH TYR 70 -2.805 -5.668 -0.706 474 H ILE 71 H ILE 71 4.422 -8.879 1.730 475 HA ILE 71 HA ILE 71 2.736 -10.675 0.133 476 HB ILE 71 HB ILE 71 5.547 -11.273 1.053 477 HG12 ILE 71 1HG1 ILE 71 4.336 -11.408 -1.713 478 HG13 ILE 71 2HG1 ILE 71 5.221 -10.014 -1.104 479 HG21 ILE 71 1HG2 ILE 71 4.797 -13.357 1.376 480 HG22 ILE 71 2HG2 ILE 71 3.282 -13.042 0.531 481 HG23 ILE 71 3HG2 ILE 71 4.733 -13.450 -0.384 482 HD11 ILE 71 1HD1 ILE 71 7.177 -10.960 -1.545 483 HD12 ILE 71 2HD1 ILE 71 6.707 -12.475 -0.773 484 HD13 ILE 71 3HD1 ILE 71 6.274 -12.171 -2.455 485 HA PRO 72 HA PRO 72 1.349 -11.209 4.394 486 HB2 PRO 72 1HB PRO 72 -0.987 -12.411 3.710 487 HB3 PRO 72 2HB PRO 72 -0.759 -10.659 3.662 488 HG2 PRO 72 1HG PRO 72 -0.642 -12.646 1.426 489 HG3 PRO 72 2HG PRO 72 -1.402 -11.044 1.461 490 HD2 PRO 72 1HD PRO 72 1.013 -11.486 0.319 491 HD3 PRO 72 2HD PRO 72 0.595 -9.950 1.105 492 H PHE 73 H PHE 73 0.581 -13.144 5.617 493 HA PHE 73 HA PHE 73 1.711 -15.624 4.495 494 HB2 PHE 73 1HB PHE 73 1.829 -14.615 7.343 495 HB3 PHE 73 2HB PHE 73 2.318 -16.231 6.846 496 HD1 PHE 73 1HD PHE 73 2.926 -12.742 5.656 497 HD2 PHE 73 2HD PHE 73 4.580 -16.520 6.709 498 HE1 PHE 73 1HE PHE 73 5.179 -11.895 5.143 499 HE2 PHE 73 2HE PHE 73 6.835 -15.679 6.199 500 HZ PHE 73 HZ PHE 73 7.137 -13.364 5.416 501 H ALA 74 H ALA 74 -1.004 -14.086 5.772 502 HA ALA 74 HA ALA 74 -2.469 -16.605 5.790 503 HB1 ALA 74 1HB ALA 74 -2.280 -14.774 8.167 504 HB2 ALA 74 2HB ALA 74 -3.604 -15.920 7.950 505 HB3 ALA 74 3HB ALA 74 -1.946 -16.504 8.087 506 HA PRO 75 HA PRO 75 -5.461 -14.106 3.740 507 HB2 PRO 75 1HB PRO 75 -7.638 -15.692 4.080 508 HB3 PRO 75 2HB PRO 75 -6.337 -16.076 2.947 509 HG2 PRO 75 1HG PRO 75 -6.817 -17.128 5.708 510 HG3 PRO 75 2HG PRO 75 -6.326 -18.004 4.247 511 HD2 PRO 75 1HD PRO 75 -4.565 -17.281 6.173 512 HD3 PRO 75 2HD PRO 75 -4.119 -17.371 4.456 513 H GLY 76 H GLY 76 -7.081 -12.630 4.177 514 HA2 GLY 76 1HA GLY 76 -8.966 -12.471 6.073 515 HA3 GLY 76 2HA GLY 76 -7.524 -12.070 6.993 516 H ASP 77 H ASP 77 -8.917 -10.072 7.264 517 HA ASP 77 HA ASP 77 -8.820 -8.262 4.977 518 HB2 ASP 77 1HB ASP 77 -9.978 -6.707 6.711 519 HB3 ASP 77 2HB ASP 77 -10.884 -8.060 6.039 520 H TYR 78 H TYR 78 -6.919 -7.300 4.661 521 HA TYR 78 HA TYR 78 -5.304 -6.505 6.971 522 HB2 TYR 78 1HB TYR 78 -4.690 -6.844 4.043 523 HB3 TYR 78 2HB TYR 78 -3.586 -6.004 5.126 524 HD1 TYR 78 1HD TYR 78 -5.537 -9.199 5.099 525 HD2 TYR 78 2HD TYR 78 -1.849 -7.260 5.958 526 HE1 TYR 78 1HE TYR 78 -4.567 -11.357 5.771 527 HE2 TYR 78 2HE TYR 78 -0.867 -9.413 6.631 528 HH TYR 78 HH TYR 78 -1.164 -11.704 6.466 529 H ASP 79 H ASP 79 -4.157 -4.385 6.799 530 HA ASP 79 HA ASP 79 -5.730 -2.341 5.399 531 HB2 ASP 79 1HB ASP 79 -5.298 -2.602 8.332 532 HB3 ASP 79 2HB ASP 79 -5.225 -0.981 7.645 533 H VAL 80 H VAL 80 -4.291 -1.512 4.024 534 HA VAL 80 HA VAL 80 -1.486 -1.366 4.630 535 HB VAL 80 HB VAL 80 -2.979 -0.146 2.304 536 HG11 VAL 80 1HG1 VAL 80 -0.403 -0.811 1.525 537 HG12 VAL 80 2HG1 VAL 80 -1.013 0.809 1.868 538 HG13 VAL 80 3HG1 VAL 80 -0.202 -0.116 3.133 539 HG21 VAL 80 1HG2 VAL 80 -1.748 -2.284 1.252 540 HG22 VAL 80 2HG2 VAL 80 -2.071 -2.901 2.872 541 HG23 VAL 80 3HG2 VAL 80 -3.401 -2.327 1.866 542 H ASN 81 H ASN 81 -0.773 0.106 6.032 543 HA ASN 81 HA ASN 81 -2.090 2.681 6.285 544 HB2 ASN 81 1HB ASN 81 0.195 1.400 7.791 545 HB3 ASN 81 2HB ASN 81 -0.396 3.025 8.124 546 HD21 ASN 81 1HD2 ASN 81 -1.504 -0.323 7.836 547 HD22 ASN 81 2HD2 ASN 81 -2.694 -0.220 9.084 548 H ILE 82 H ILE 82 -1.523 4.364 5.090 549 HA ILE 82 HA ILE 82 1.281 4.589 4.212 550 HB ILE 82 HB ILE 82 -1.147 5.461 2.642 551 HG12 ILE 82 1HG1 ILE 82 0.784 3.209 2.057 552 HG13 ILE 82 2HG1 ILE 82 -0.810 2.983 2.769 553 HG21 ILE 82 1HG2 ILE 82 0.226 6.688 1.405 554 HG22 ILE 82 2HG2 ILE 82 1.530 6.320 2.533 555 HG23 ILE 82 3HG2 ILE 82 1.268 5.294 1.123 556 HD11 ILE 82 1HD1 ILE 82 -0.340 2.759 0.162 557 HD12 ILE 82 2HD1 ILE 82 -1.880 3.326 0.811 558 HD13 ILE 82 3HD1 ILE 82 -0.685 4.487 0.231 559 H THR 83 H THR 83 2.226 6.261 5.155 560 HA THR 83 HA THR 83 0.661 8.724 5.557 561 HB THR 83 HB THR 83 1.866 9.158 7.636 562 HG1 THR 83 1HG THR 83 3.035 7.145 8.449 563 HG21 THR 83 1HG2 THR 83 0.334 6.604 7.353 564 HG22 THR 83 2HG2 THR 83 -0.140 8.115 8.130 565 HG23 THR 83 3HG2 THR 83 1.020 7.044 8.917 566 H TYR 84 H TYR 84 1.755 10.674 5.285 567 HA TYR 84 HA TYR 84 4.405 10.443 4.016 568 HB2 TYR 84 1HB TYR 84 2.371 11.169 2.598 569 HB3 TYR 84 2HB TYR 84 2.479 12.690 3.476 570 HD1 TYR 84 1HD TYR 84 4.856 10.361 1.758 571 HD2 TYR 84 2HD TYR 84 3.570 14.373 2.353 572 HE1 TYR 84 1HE TYR 84 6.576 11.139 0.182 573 HE2 TYR 84 2HE TYR 84 5.287 15.162 0.778 574 HH TYR 84 HH TYR 84 7.430 14.414 -0.135 575 H GLY 85 H GLY 85 5.810 10.977 5.592 576 HA2 GLY 85 1HA GLY 85 7.038 12.468 6.869 577 HA3 GLY 85 2HA GLY 85 5.844 13.706 6.509 578 H GLY 86 H GLY 86 3.610 13.166 7.589 579 HA2 GLY 86 1HA GLY 86 3.732 11.794 10.105 580 HA3 GLY 86 2HA GLY 86 3.815 13.539 10.295 581 H ALA 87 H ALA 87 2.022 12.299 7.626 582 HA ALA 87 HA ALA 87 -0.502 12.569 9.100 583 HB1 ALA 87 1HB ALA 87 -0.063 14.726 8.036 584 HB2 ALA 87 2HB ALA 87 0.078 13.926 6.470 585 HB3 ALA 87 3HB ALA 87 -1.466 13.929 7.323 586 H HIS 88 H HIS 88 -2.290 11.486 8.152 587 HA HIS 88 HA HIS 88 -1.496 9.174 6.578 588 HB2 HIS 88 1HB HIS 88 -3.833 9.887 8.282 589 HB3 HIS 88 2HB HIS 88 -4.081 8.699 7.006 590 HD1 HIS 88 1HD HIS 88 -2.586 6.501 7.168 591 HD2 HIS 88 2HD HIS 88 -2.569 8.946 10.527 592 HE1 HIS 88 1HE HIS 88 -1.661 5.083 9.027 593 HE2 HIS 88 2HE HIS 88 -1.740 6.557 11.068 594 H ILE 89 H ILE 89 -1.893 8.922 4.475 595 HA ILE 89 HA ILE 89 -2.942 11.047 2.919 596 HB ILE 89 HB ILE 89 -2.637 9.621 1.003 597 HG12 ILE 89 1HG1 ILE 89 -1.928 7.312 2.794 598 HG13 ILE 89 2HG1 ILE 89 -3.592 7.580 2.287 599 HG21 ILE 89 1HG2 ILE 89 -0.574 10.457 1.545 600 HG22 ILE 89 2HG2 ILE 89 -0.530 9.636 3.104 601 HG23 ILE 89 3HG2 ILE 89 -0.244 8.726 1.621 602 HD11 ILE 89 1HD1 ILE 89 -3.122 7.121 0.072 603 HD12 ILE 89 2HD1 ILE 89 -1.397 7.435 0.268 604 HD13 ILE 89 3HD1 ILE 89 -2.109 5.968 0.939 605 HA PRO 90 HA PRO 90 -7.248 10.179 2.825 606 HB2 PRO 90 1HB PRO 90 -7.879 11.076 0.341 607 HB3 PRO 90 2HB PRO 90 -7.488 12.158 1.683 608 HG2 PRO 90 1HG PRO 90 -5.747 11.224 -0.566 609 HG3 PRO 90 2HG PRO 90 -5.900 12.847 0.130 610 HD2 PRO 90 1HD PRO 90 -3.857 11.182 0.752 611 HD3 PRO 90 2HD PRO 90 -4.524 12.351 1.911 612 H GLY 91 H GLY 91 -6.976 7.844 2.870 613 HA2 GLY 91 1HA GLY 91 -8.419 6.409 1.094 614 HA3 GLY 91 2HA GLY 91 -6.822 6.417 0.359 615 H SER 92 H SER 92 -5.766 6.531 3.258 616 HA SER 92 HA SER 92 -5.837 3.621 3.643 617 HB2 SER 92 1HB SER 92 -3.596 4.079 3.518 618 HB3 SER 92 2HB SER 92 -3.791 5.727 4.114 619 HG SER 92 HG SER 92 -3.788 5.006 6.162 620 HA PRO 93 HA PRO 93 -4.836 2.356 5.375 621 HB2 PRO 93 1HB PRO 93 -6.258 0.363 6.549 622 HB3 PRO 93 2HB PRO 93 -5.085 1.353 7.427 623 HG2 PRO 93 1HG PRO 93 -8.068 1.591 7.327 624 HG3 PRO 93 2HG PRO 93 -6.981 1.725 8.722 625 HD2 PRO 93 1HD PRO 93 -8.011 3.890 7.464 626 HD3 PRO 93 2HD PRO 93 -6.407 3.901 8.224 627 H PHE 94 H PHE 94 -5.015 1.020 3.636 628 HA PHE 94 HA PHE 94 -7.553 1.076 2.198 629 HB2 PHE 94 1HB PHE 94 -4.775 0.236 1.351 630 HB3 PHE 94 2HB PHE 94 -6.190 0.157 0.306 631 HD1 PHE 94 2HD PHE 94 -4.039 2.477 2.225 632 HD2 PHE 94 1HD PHE 94 -6.933 2.043 -0.865 633 HE1 PHE 94 2HE PHE 94 -3.666 4.813 1.552 634 HE2 PHE 94 1HE PHE 94 -6.564 4.379 -1.544 635 HZ PHE 94 HZ PHE 94 -4.929 5.768 -0.334 636 H ARG 95 H ARG 95 -8.914 -0.494 2.795 637 HA ARG 95 HA ARG 95 -8.157 -2.985 3.865 638 HB2 ARG 95 1HB ARG 95 -10.358 -2.030 4.276 639 HB3 ARG 95 2HB ARG 95 -10.749 -2.135 2.565 640 HG2 ARG 95 1HG ARG 95 -11.835 -3.924 3.732 641 HG3 ARG 95 2HG ARG 95 -10.560 -4.596 2.713 642 HD2 ARG 95 1HD ARG 95 -10.465 -5.696 4.832 643 HD3 ARG 95 2HD ARG 95 -9.074 -4.619 4.717 644 HE ARG 95 HE ARG 95 -9.891 -3.446 6.499 645 HH11 ARG 95 1HH1 ARG 95 -12.452 -5.384 5.155 646 HH12 ARG 95 2HH1 ARG 95 -13.574 -5.015 6.423 647 HH21 ARG 95 1HH2 ARG 95 -11.359 -2.952 8.173 648 HH22 ARG 95 2HH2 ARG 95 -12.951 -3.630 8.139 649 H VAL 96 H VAL 96 -7.670 -4.895 2.958 650 HA VAL 96 HA VAL 96 -8.199 -5.302 0.104 651 HB VAL 96 HB VAL 96 -5.514 -5.982 1.287 652 HG11 VAL 96 1HG1 VAL 96 -6.644 -5.885 -1.498 653 HG12 VAL 96 2HG1 VAL 96 -4.910 -5.948 -1.175 654 HG13 VAL 96 3HG1 VAL 96 -5.956 -7.265 -0.643 655 HG21 VAL 96 1HG2 VAL 96 -6.530 -3.395 0.385 656 HG22 VAL 96 2HG2 VAL 96 -5.096 -3.781 1.335 657 HG23 VAL 96 3HG2 VAL 96 -5.045 -3.897 -0.424 658 HA PRO 97 HA PRO 97 -9.561 -9.157 1.886 659 HB2 PRO 97 1HB PRO 97 -10.431 -10.238 -0.447 660 HB3 PRO 97 2HB PRO 97 -11.344 -9.016 0.444 661 HG2 PRO 97 1HG PRO 97 -9.561 -8.685 -1.938 662 HG3 PRO 97 2HG PRO 97 -11.143 -7.951 -1.613 663 HD2 PRO 97 1HD PRO 97 -8.814 -6.619 -1.245 664 HD3 PRO 97 2HD PRO 97 -10.249 -6.331 -0.239 665 H VAL 98 H VAL 98 -7.519 -9.997 2.452 666 HA VAL 98 HA VAL 98 -5.794 -11.143 0.446 667 HB VAL 98 HB VAL 98 -5.687 -11.315 3.461 668 HG11 VAL 98 1HG1 VAL 98 -4.462 -13.012 1.689 669 HG12 VAL 98 2HG1 VAL 98 -3.224 -11.787 1.972 670 HG13 VAL 98 3HG1 VAL 98 -3.916 -12.673 3.331 671 HG21 VAL 98 1HG2 VAL 98 -4.662 -9.393 1.461 672 HG22 VAL 98 2HG2 VAL 98 -5.149 -9.136 3.137 673 HG23 VAL 98 3HG2 VAL 98 -3.568 -9.828 2.775 674 H LYS 99 H LYS 99 -6.598 -12.884 -0.578 675 HA LYS 99 HA LYS 99 -7.982 -14.956 0.944 676 HB2 LYS 99 1HB LYS 99 -7.497 -15.260 -1.971 677 HB3 LYS 99 2HB LYS 99 -8.929 -15.642 -1.023 678 HG2 LYS 99 1HG LYS 99 -9.485 -13.270 -0.895 679 HG3 LYS 99 2HG LYS 99 -8.041 -12.879 -1.833 680 HD2 LYS 99 1HD LYS 99 -9.887 -12.871 -3.339 681 HD3 LYS 99 2HD LYS 99 -8.956 -14.335 -3.664 682 HE2 LYS 99 1HE LYS 99 -11.275 -14.915 -3.667 683 HE3 LYS 99 2HE LYS 99 -10.547 -15.584 -2.207 684 HZ1 LYS 99 1HZ LYS 99 -11.653 -12.932 -1.899 685 HZ2 LYS 99 2HZ LYS 99 -11.794 -14.287 -0.897 686 HZ3 LYS 99 3HZ LYS 99 -12.797 -14.127 -2.250 687 H ASP 100 H ASP 100 -7.445 -17.276 0.015 688 HA ASP 100 HA ASP 100 -4.517 -17.583 -0.056 689 HB2 ASP 100 1HB ASP 100 -5.854 -18.177 2.159 690 HB3 ASP 100 2HB ASP 100 -6.180 -19.669 1.281 691 H VAL 101 H VAL 101 -3.711 -19.299 -1.273 692 HA VAL 101 HA VAL 101 -5.635 -20.424 -3.190 693 HB VAL 101 HB VAL 101 -2.634 -20.183 -3.445 694 HG11 VAL 101 1HG1 VAL 101 -3.736 -22.078 -4.672 695 HG12 VAL 101 2HG1 VAL 101 -4.646 -20.868 -5.579 696 HG13 VAL 101 3HG1 VAL 101 -2.887 -20.918 -5.693 697 HG21 VAL 101 1HG2 VAL 101 -4.320 -18.106 -3.524 698 HG22 VAL 101 2HG2 VAL 101 -2.883 -18.215 -4.542 699 HG23 VAL 101 3HG2 VAL 101 -4.462 -18.653 -5.195 700 H VAL 102 H VAL 102 -3.203 -21.243 -0.828 701 HA VAL 102 HA VAL 102 -3.625 -24.103 -1.393 702 HB VAL 102 HB VAL 102 -1.332 -22.789 0.071 703 HG11 VAL 102 1HG1 VAL 102 -1.501 -25.663 -0.782 704 HG12 VAL 102 2HG1 VAL 102 -0.373 -24.912 0.348 705 HG13 VAL 102 3HG1 VAL 102 -2.065 -25.124 0.800 706 HG21 VAL 102 1HG2 VAL 102 -1.448 -22.475 -2.431 707 HG22 VAL 102 2HG2 VAL 102 0.013 -23.255 -1.824 708 HG23 VAL 102 3HG2 VAL 102 -1.257 -24.222 -2.575 709 H ASP 103 H ASP 103 -4.582 -25.345 0.094 710 HA ASP 103 HA ASP 103 -4.710 -24.435 2.872 711 HB2 ASP 103 1HB ASP 103 -7.095 -24.777 3.027 712 HB3 ASP 103 2HB ASP 103 -6.774 -23.648 1.712 713 HA PRO 104 HA PRO 104 -3.871 -28.668 3.721 714 HB2 PRO 104 1HB PRO 104 -4.771 -28.793 6.279 715 HB3 PRO 104 2HB PRO 104 -3.271 -27.973 5.827 716 HG2 PRO 104 1HG PRO 104 -5.979 -26.812 6.358 717 HG3 PRO 104 2HG PRO 104 -4.388 -26.225 6.877 718 HD2 PRO 104 1HD PRO 104 -5.717 -25.162 4.770 719 HD3 PRO 104 2HD PRO 104 -3.945 -25.245 4.838 720 H SER 105 H SER 105 -5.247 -29.839 2.400 721 HA SER 105 HA SER 105 -8.038 -30.156 3.145 722 HB2 SER 105 1HB SER 105 -7.499 -29.927 0.773 723 HB3 SER 105 2HB SER 105 -6.445 -31.339 0.856 724 HG SER 105 HG SER 105 -8.693 -31.638 0.063 Start of MODEL 17 1 H1 GLY 1 H GLY 1 16.668 27.842 -11.446 2 HA2 GLY 1 1HA GLY 1 14.799 29.876 -10.581 3 HA3 GLY 1 2HA GLY 1 14.046 28.461 -11.301 4 H SER 2 H SER 2 13.500 29.169 -8.702 5 HA SER 2 HA SER 2 15.159 27.827 -6.820 6 HB2 SER 2 1HB SER 2 13.484 29.704 -6.352 7 HB3 SER 2 2HB SER 2 12.235 28.461 -6.425 8 HG SER 2 HG SER 2 14.282 28.828 -4.545 9 H SER 3 H SER 3 15.069 25.794 -6.016 10 HA SER 3 HA SER 3 13.967 23.732 -7.549 11 HB2 SER 3 1HB SER 3 15.173 23.891 -4.813 12 HB3 SER 3 2HB SER 3 14.373 22.400 -5.310 13 HG SER 3 HG SER 3 16.813 23.182 -5.901 14 H GLY 4 H GLY 4 12.884 25.061 -4.425 15 HA2 GLY 4 1HA GLY 4 10.357 25.397 -4.441 16 HA3 GLY 4 2HA GLY 4 10.307 23.685 -4.837 17 H SER 5 H SER 5 9.459 22.731 -3.093 18 HA SER 5 HA SER 5 9.048 22.201 -0.903 19 HB2 SER 5 1HB SER 5 11.073 21.519 0.336 20 HB3 SER 5 2HB SER 5 11.106 20.945 -1.331 21 HG SER 5 HG SER 5 12.274 23.419 -0.762 22 H SER 6 H SER 6 8.781 24.952 -1.364 23 HA SER 6 HA SER 6 10.157 26.697 0.253 24 HB2 SER 6 1HB SER 6 8.094 28.067 0.295 25 HB3 SER 6 2HB SER 6 8.439 27.441 -1.317 26 HG SER 6 HG SER 6 6.948 25.665 -0.651 27 H GLY 7 H GLY 7 7.578 24.463 1.146 28 HA2 GLY 7 1HA GLY 7 8.064 23.636 3.536 29 HA3 GLY 7 2HA GLY 7 7.832 25.329 3.949 30 H GLY 8 H GLY 8 6.238 22.488 2.573 31 HA2 GLY 8 1HA GLY 8 3.895 22.732 4.029 32 HA3 GLY 8 2HA GLY 8 3.632 23.627 2.540 33 H CYS 9 H CYS 9 4.226 20.471 3.930 34 HA CYS 9 HA CYS 9 4.096 19.079 1.425 35 HB2 CYS 9 1HB CYS 9 4.054 17.043 2.820 36 HB3 CYS 9 2HB CYS 9 5.358 18.131 3.281 37 HG CYS 9 HG CYS 9 3.543 16.702 5.328 38 H GLN 10 H GLN 10 2.422 17.732 0.685 39 HA GLN 10 HA GLN 10 -0.209 18.197 1.918 40 HB2 GLN 10 1HB GLN 10 0.624 18.515 -0.941 41 HB3 GLN 10 2HB GLN 10 -1.026 18.037 -0.565 42 HG2 GLN 10 1HG GLN 10 0.387 20.580 0.161 43 HG3 GLN 10 2HG GLN 10 -1.068 20.369 -0.812 44 HE21 GLN 10 1HE2 GLN 10 -3.031 20.036 0.196 45 HE22 GLN 10 2HE2 GLN 10 -3.265 20.296 1.888 46 HA PRO 11 HA PRO 11 0.302 13.682 1.690 47 HB2 PRO 11 1HB PRO 11 -1.424 13.180 3.724 48 HB3 PRO 11 2HB PRO 11 0.266 13.626 3.986 49 HG2 PRO 11 1HG PRO 11 -2.186 15.337 4.121 50 HG3 PRO 11 2HG PRO 11 -0.788 15.298 5.211 51 HD2 PRO 11 1HD PRO 11 -1.090 17.187 3.295 52 HD3 PRO 11 2HD PRO 11 0.503 16.590 3.805 53 H SER 12 H SER 12 -2.281 15.804 1.129 54 HA SER 12 HA SER 12 -4.249 13.749 0.580 55 HB2 SER 12 1HB SER 12 -5.516 15.842 -0.335 56 HB3 SER 12 2HB SER 12 -5.275 15.674 1.404 57 HG SER 12 HG SER 12 -3.413 17.064 -0.192 58 H ARG 13 H ARG 13 -1.904 15.640 -1.143 59 HA ARG 13 HA ARG 13 -2.990 15.296 -3.748 60 HB2 ARG 13 1HB ARG 13 -0.245 16.021 -2.738 61 HB3 ARG 13 2HB ARG 13 -0.598 15.864 -4.453 62 HG2 ARG 13 1HG ARG 13 -2.336 17.625 -2.806 63 HG3 ARG 13 2HG ARG 13 -0.719 18.186 -3.235 64 HD2 ARG 13 1HD ARG 13 -1.919 18.979 -5.018 65 HD3 ARG 13 2HD ARG 13 -1.434 17.401 -5.636 66 HE ARG 13 HE ARG 13 -3.905 17.151 -4.329 67 HH11 ARG 13 1HH1 ARG 13 -2.520 18.565 -7.192 68 HH12 ARG 13 2HH1 ARG 13 -3.981 18.448 -8.115 69 HH21 ARG 13 1HH2 ARG 13 -5.835 16.991 -5.534 70 HH22 ARG 13 2HH2 ARG 13 -5.867 17.553 -7.171 71 H VAL 14 H VAL 14 -1.355 13.210 -1.616 72 HA VAL 14 HA VAL 14 0.015 11.557 -3.452 73 HB VAL 14 HB VAL 14 -1.156 10.700 -0.805 74 HG11 VAL 14 1HG1 VAL 14 1.408 9.687 -1.930 75 HG12 VAL 14 2HG1 VAL 14 0.243 8.886 -0.873 76 HG13 VAL 14 3HG1 VAL 14 -0.107 9.076 -2.592 77 HG21 VAL 14 1HG2 VAL 14 0.876 11.417 0.248 78 HG22 VAL 14 2HG2 VAL 14 1.567 11.897 -1.302 79 HG23 VAL 14 3HG2 VAL 14 0.198 12.786 -0.635 80 H GLN 15 H GLN 15 -0.563 9.626 -4.427 81 HA GLN 15 HA GLN 15 -3.395 8.861 -4.300 82 HB2 GLN 15 1HB GLN 15 -2.946 8.353 -6.883 83 HB3 GLN 15 2HB GLN 15 -3.565 9.900 -6.320 84 HG2 GLN 15 1HG GLN 15 -1.364 10.870 -6.415 85 HG3 GLN 15 2HG GLN 15 -0.661 9.310 -6.839 86 HE21 GLN 15 1HE2 GLN 15 -1.447 8.330 -8.867 87 HE22 GLN 15 2HE2 GLN 15 -1.797 9.378 -10.195 88 H ALA 16 H ALA 16 -3.776 6.711 -4.280 89 HA ALA 16 HA ALA 16 -1.549 4.896 -4.900 90 HB1 ALA 16 1HB ALA 16 -1.677 3.748 -2.904 91 HB2 ALA 16 2HB ALA 16 -1.943 5.411 -2.379 92 HB3 ALA 16 3HB ALA 16 -3.312 4.314 -2.561 93 H GLN 17 H GLN 17 -2.161 3.473 -6.380 94 HA GLN 17 HA GLN 17 -4.778 2.222 -6.216 95 HB2 GLN 17 1HB GLN 17 -5.467 2.758 -8.433 96 HB3 GLN 17 2HB GLN 17 -5.031 4.274 -7.655 97 HG2 GLN 17 1HG GLN 17 -3.202 4.590 -8.973 98 HG3 GLN 17 2HG GLN 17 -2.946 2.864 -9.225 99 HE21 GLN 17 1HE2 GLN 17 -2.767 3.043 -11.435 100 HE22 GLN 17 2HE2 GLN 17 -4.110 3.411 -12.458 101 H GLY 18 H GLY 18 -4.910 0.229 -7.293 102 HA2 GLY 18 1HA GLY 18 -3.445 -0.998 -9.134 103 HA3 GLY 18 2HA GLY 18 -2.304 -0.980 -7.798 104 HA PRO 19 HA PRO 19 -4.951 -4.824 -7.576 105 HB2 PRO 19 1HB PRO 19 -2.876 -6.573 -7.507 106 HB3 PRO 19 2HB PRO 19 -3.602 -6.003 -9.015 107 HG2 PRO 19 1HG PRO 19 -1.108 -5.074 -7.646 108 HG3 PRO 19 2HG PRO 19 -1.391 -5.378 -9.369 109 HD2 PRO 19 1HD PRO 19 -1.413 -2.888 -8.306 110 HD3 PRO 19 2HD PRO 19 -2.433 -3.347 -9.685 111 H GLY 20 H GLY 20 -1.858 -4.113 -5.957 112 HA2 GLY 20 1HA GLY 20 -2.261 -5.678 -3.673 113 HA3 GLY 20 2HA GLY 20 -1.233 -4.255 -3.754 114 H LEU 21 H LEU 21 -3.971 -2.944 -4.659 115 HA LEU 21 HA LEU 21 -4.806 -2.350 -1.900 116 HB2 LEU 21 1HB LEU 21 -5.142 -0.684 -4.390 117 HB3 LEU 21 2HB LEU 21 -5.631 -0.221 -2.762 118 HG LEU 21 HG LEU 21 -2.780 -0.701 -3.625 119 HD11 LEU 21 1HD1 LEU 21 -4.399 1.442 -4.298 120 HD12 LEU 21 2HD1 LEU 21 -2.636 1.407 -4.316 121 HD13 LEU 21 3HD1 LEU 21 -3.491 2.008 -2.896 122 HD21 LEU 21 1HD2 LEU 21 -2.168 0.212 -1.508 123 HD22 LEU 21 2HD2 LEU 21 -3.337 -1.075 -1.214 124 HD23 LEU 21 3HD2 LEU 21 -3.843 0.613 -1.131 125 H LYS 22 H LYS 22 -5.874 -3.400 -5.038 126 HA LYS 22 HA LYS 22 -8.683 -3.176 -4.429 127 HB2 LYS 22 1HB LYS 22 -7.105 -4.325 -6.713 128 HB3 LYS 22 2HB LYS 22 -8.832 -4.627 -6.574 129 HG2 LYS 22 1HG LYS 22 -9.333 -2.309 -6.754 130 HG3 LYS 22 2HG LYS 22 -7.629 -1.870 -6.607 131 HD2 LYS 22 1HD LYS 22 -8.010 -1.704 -8.892 132 HD3 LYS 22 2HD LYS 22 -7.319 -3.320 -8.729 133 HE2 LYS 22 1HE LYS 22 -10.275 -3.009 -8.565 134 HE3 LYS 22 2HE LYS 22 -9.504 -2.887 -10.146 135 HZ1 LYS 22 1HZ LYS 22 -8.948 -5.064 -10.146 136 HZ2 LYS 22 2HZ LYS 22 -10.289 -5.184 -9.123 137 HZ3 LYS 22 3HZ LYS 22 -8.729 -5.143 -8.471 138 H GLU 23 H GLU 23 -6.403 -5.877 -4.877 139 HA GLU 23 HA GLU 23 -7.688 -7.407 -2.821 140 HB2 GLU 23 1HB GLU 23 -8.436 -9.260 -4.170 141 HB3 GLU 23 2HB GLU 23 -9.206 -7.789 -4.749 142 HG2 GLU 23 1HG GLU 23 -7.781 -7.686 -6.643 143 HG3 GLU 23 2HG GLU 23 -6.741 -8.960 -6.007 144 H ALA 24 H ALA 24 -6.416 -9.084 -2.079 145 HA ALA 24 HA ALA 24 -3.918 -9.621 -3.530 146 HB1 ALA 24 1HB ALA 24 -4.161 -8.863 -0.625 147 HB2 ALA 24 2HB ALA 24 -2.713 -9.577 -1.336 148 HB3 ALA 24 3HB ALA 24 -3.286 -8.006 -1.894 149 H PHE 25 H PHE 25 -2.705 -11.470 -2.237 150 HA PHE 25 HA PHE 25 -4.639 -13.467 -1.307 151 HB2 PHE 25 1HB PHE 25 -2.878 -13.646 -3.699 152 HB3 PHE 25 2HB PHE 25 -3.060 -15.096 -2.717 153 HD1 PHE 25 2HD PHE 25 -5.130 -12.444 -4.322 154 HD2 PHE 25 1HD PHE 25 -4.791 -16.532 -3.184 155 HE1 PHE 25 2HE PHE 25 -7.265 -12.930 -5.445 156 HE2 PHE 25 1HE PHE 25 -6.925 -17.024 -4.306 157 HZ PHE 25 HZ PHE 25 -8.165 -15.222 -5.438 158 H THR 26 H THR 26 -3.404 -15.474 -0.488 159 HA THR 26 HA THR 26 -1.469 -14.531 1.436 160 HB THR 26 HB THR 26 -1.569 -16.811 2.360 161 HG1 THR 26 1HG THR 26 -2.952 -17.268 -0.041 162 HG21 THR 26 1HG2 THR 26 -4.176 -15.429 1.766 163 HG22 THR 26 2HG2 THR 26 -3.204 -15.348 3.235 164 HG23 THR 26 3HG2 THR 26 -4.070 -16.830 2.831 165 H ASN 27 H ASN 27 0.678 -14.785 1.368 166 HA ASN 27 HA ASN 27 2.759 -15.317 0.621 167 HB2 ASN 27 1HB ASN 27 1.340 -17.841 -0.258 168 HB3 ASN 27 2HB ASN 27 3.088 -17.629 -0.266 169 HD21 ASN 27 1HD2 ASN 27 0.391 -17.066 1.976 170 HD22 ASN 27 2HD2 ASN 27 1.162 -17.781 3.347 171 H LYS 28 H LYS 28 0.851 -13.893 -1.120 172 HA LYS 28 HA LYS 28 2.105 -14.503 -3.717 173 HB2 LYS 28 1HB LYS 28 -0.703 -13.617 -3.085 174 HB3 LYS 28 2HB LYS 28 -0.004 -13.404 -4.684 175 HG2 LYS 28 1HG LYS 28 0.520 -15.962 -4.452 176 HG3 LYS 28 2HG LYS 28 -0.793 -15.901 -3.275 177 HD2 LYS 28 1HD LYS 28 -2.350 -15.201 -4.883 178 HD3 LYS 28 2HD LYS 28 -1.089 -14.733 -6.026 179 HE2 LYS 28 1HE LYS 28 -1.610 -17.569 -5.144 180 HE3 LYS 28 2HE LYS 28 -2.286 -16.850 -6.605 181 HZ1 LYS 28 1HZ LYS 28 0.254 -17.996 -6.230 182 HZ2 LYS 28 2HZ LYS 28 0.455 -16.365 -6.629 183 HZ3 LYS 28 3HZ LYS 28 -0.427 -17.383 -7.653 184 HA PRO 29 HA PRO 29 3.725 -10.413 -3.647 185 HB2 PRO 29 1HB PRO 29 4.050 -10.018 -6.313 186 HB3 PRO 29 2HB PRO 29 5.094 -11.083 -5.365 187 HG2 PRO 29 1HG PRO 29 2.772 -11.779 -7.121 188 HG3 PRO 29 2HG PRO 29 4.348 -12.580 -6.981 189 HD2 PRO 29 1HD PRO 29 2.119 -13.529 -5.771 190 HD3 PRO 29 2HD PRO 29 3.740 -13.720 -5.072 191 H ASN 30 H ASN 30 2.521 -8.690 -3.169 192 HA ASN 30 HA ASN 30 0.426 -7.873 -5.073 193 HB2 ASN 30 1HB ASN 30 0.212 -7.208 -2.159 194 HB3 ASN 30 2HB ASN 30 -1.063 -7.364 -3.364 195 HD21 ASN 30 1HD2 ASN 30 0.772 -8.928 -0.961 196 HD22 ASN 30 2HD2 ASN 30 0.065 -10.498 -1.113 197 H VAL 31 H VAL 31 1.048 -6.077 -6.064 198 HA VAL 31 HA VAL 31 2.460 -4.022 -4.489 199 HB VAL 31 HB VAL 31 3.706 -3.360 -6.412 200 HG11 VAL 31 1HG1 VAL 31 4.110 -5.708 -5.143 201 HG12 VAL 31 2HG1 VAL 31 4.005 -6.262 -6.815 202 HG13 VAL 31 3HG1 VAL 31 5.200 -5.047 -6.361 203 HG21 VAL 31 1HG2 VAL 31 1.912 -3.677 -8.068 204 HG22 VAL 31 2HG2 VAL 31 3.445 -4.366 -8.604 205 HG23 VAL 31 3HG2 VAL 31 2.170 -5.420 -7.992 206 H PHE 32 H PHE 32 2.248 -1.798 -5.530 207 HA PHE 32 HA PHE 32 -0.172 -1.330 -7.033 208 HB2 PHE 32 1HB PHE 32 -0.989 0.311 -5.226 209 HB3 PHE 32 2HB PHE 32 -1.268 -1.406 -4.957 210 HD1 PHE 32 2HD PHE 32 0.194 -2.651 -3.375 211 HD2 PHE 32 1HD PHE 32 0.350 1.585 -3.762 212 HE1 PHE 32 2HE PHE 32 1.350 -2.499 -1.208 213 HE2 PHE 32 1HE PHE 32 1.507 1.744 -1.597 214 HZ PHE 32 HZ PHE 32 2.008 -0.300 -0.316 215 H THR 33 H THR 33 -0.365 0.847 -7.779 216 HA THR 33 HA THR 33 2.212 2.138 -8.076 217 HB THR 33 HB THR 33 -0.379 3.149 -9.227 218 HG1 THR 33 1HG THR 33 0.329 1.794 -11.093 219 HG21 THR 33 1HG2 THR 33 0.905 4.443 -10.559 220 HG22 THR 33 2HG2 THR 33 2.132 3.191 -10.763 221 HG23 THR 33 3HG2 THR 33 2.124 4.191 -9.311 222 H VAL 34 H VAL 34 2.867 3.940 -7.074 223 HA VAL 34 HA VAL 34 0.874 5.531 -5.602 224 HB VAL 34 HB VAL 34 3.619 4.782 -4.586 225 HG11 VAL 34 1HG1 VAL 34 3.372 6.765 -3.536 226 HG12 VAL 34 2HG1 VAL 34 1.622 6.787 -3.756 227 HG13 VAL 34 3HG1 VAL 34 2.337 5.825 -2.463 228 HG21 VAL 34 1HG2 VAL 34 1.578 3.103 -4.587 229 HG22 VAL 34 2HG2 VAL 34 2.666 3.228 -3.204 230 HG23 VAL 34 3HG2 VAL 34 1.106 4.049 -3.175 231 H VAL 35 H VAL 35 0.809 7.333 -6.824 232 HA VAL 35 HA VAL 35 3.312 8.524 -7.764 233 HB VAL 35 HB VAL 35 0.427 9.056 -8.445 234 HG11 VAL 35 1HG1 VAL 35 2.863 10.691 -9.097 235 HG12 VAL 35 2HG1 VAL 35 1.398 10.742 -10.080 236 HG13 VAL 35 3HG1 VAL 35 1.340 11.225 -8.385 237 HG21 VAL 35 1HG2 VAL 35 0.902 7.494 -9.968 238 HG22 VAL 35 2HG2 VAL 35 1.890 8.724 -10.757 239 HG23 VAL 35 3HG2 VAL 35 2.633 7.581 -9.638 240 H THR 36 H THR 36 4.224 10.183 -6.753 241 HA THR 36 HA THR 36 2.593 11.728 -4.843 242 HB THR 36 HB THR 36 4.695 12.166 -3.598 243 HG1 THR 36 1HG THR 36 6.564 11.410 -4.308 244 HG21 THR 36 1HG2 THR 36 3.124 10.244 -3.083 245 HG22 THR 36 2HG2 THR 36 4.771 10.078 -2.474 246 HG23 THR 36 3HG2 THR 36 4.273 9.201 -3.920 247 H ARG 37 H ARG 37 2.565 12.532 -7.453 248 HA ARG 37 HA ARG 37 4.521 14.246 -8.368 249 HB2 ARG 37 1HB ARG 37 1.580 14.047 -8.742 250 HB3 ARG 37 2HB ARG 37 2.348 15.546 -9.248 251 HG2 ARG 37 1HG ARG 37 3.994 14.001 -10.508 252 HG3 ARG 37 2HG ARG 37 2.738 12.778 -10.300 253 HD2 ARG 37 1HD ARG 37 2.133 13.665 -12.325 254 HD3 ARG 37 2HD ARG 37 1.181 14.670 -11.233 255 HE ARG 37 HE ARG 37 3.658 15.906 -11.652 256 HH11 ARG 37 1HH1 ARG 37 0.751 15.113 -13.396 257 HH12 ARG 37 2HH1 ARG 37 0.889 16.449 -14.491 258 HH21 ARG 37 1HH2 ARG 37 3.851 17.667 -13.088 259 HH22 ARG 37 2HH2 ARG 37 2.653 17.900 -14.316 260 H GLY 38 H GLY 38 5.453 15.343 -6.601 261 HA2 GLY 38 1HA GLY 38 5.774 17.159 -5.236 262 HA3 GLY 38 2HA GLY 38 4.504 17.948 -6.160 263 H ALA 39 H ALA 39 4.031 14.988 -4.342 264 HA ALA 39 HA ALA 39 1.716 15.773 -3.070 265 HB1 ALA 39 1HB ALA 39 3.298 13.503 -3.091 266 HB2 ALA 39 2HB ALA 39 3.274 13.992 -1.396 267 HB3 ALA 39 3HB ALA 39 1.759 13.703 -2.252 268 H GLY 40 H GLY 40 5.054 16.026 -1.883 269 HA2 GLY 40 1HA GLY 40 4.740 18.395 -0.502 270 HA3 GLY 40 2HA GLY 40 4.326 17.128 0.644 271 H ILE 41 H ILE 41 5.971 16.808 1.978 272 HA ILE 41 HA ILE 41 8.708 16.988 0.924 273 HB ILE 41 HB ILE 41 7.918 16.903 3.831 274 HG12 ILE 41 1HG1 ILE 41 8.670 19.458 2.482 275 HG13 ILE 41 2HG1 ILE 41 7.024 18.867 2.284 276 HG21 ILE 41 1HG2 ILE 41 10.383 16.746 2.514 277 HG22 ILE 41 2HG2 ILE 41 10.299 18.374 3.186 278 HG23 ILE 41 3HG2 ILE 41 10.100 16.974 4.240 279 HD11 ILE 41 1HD1 ILE 41 8.417 19.792 4.751 280 HD12 ILE 41 2HD1 ILE 41 6.839 20.251 4.109 281 HD13 ILE 41 3HD1 ILE 41 7.057 18.674 4.867 282 H GLY 42 H GLY 42 10.076 15.282 0.963 283 HA2 GLY 42 1HA GLY 42 9.302 12.698 0.844 284 HA3 GLY 42 2HA GLY 42 10.889 13.167 1.434 285 H GLY 43 H GLY 43 9.253 10.889 2.223 286 HA2 GLY 43 1HA GLY 43 9.717 10.268 4.670 287 HA3 GLY 43 2HA GLY 43 8.617 11.595 5.012 288 H LEU 44 H LEU 44 8.498 9.003 2.578 289 HA LEU 44 HA LEU 44 5.720 8.521 3.214 290 HB2 LEU 44 1HB LEU 44 6.456 8.509 0.896 291 HB3 LEU 44 2HB LEU 44 7.573 7.191 1.243 292 HG LEU 44 HG LEU 44 5.730 5.673 1.615 293 HD11 LEU 44 1HD1 LEU 44 3.479 7.052 0.713 294 HD12 LEU 44 2HD1 LEU 44 4.239 8.118 1.894 295 HD13 LEU 44 3HD1 LEU 44 3.796 6.473 2.348 296 HD21 LEU 44 1HD2 LEU 44 5.601 7.285 -0.920 297 HD22 LEU 44 2HD2 LEU 44 4.654 5.817 -0.675 298 HD23 LEU 44 3HD2 LEU 44 6.416 5.746 -0.639 299 H GLY 45 H GLY 45 4.875 6.804 4.282 300 HA2 GLY 45 1HA GLY 45 6.725 4.677 5.141 301 HA3 GLY 45 2HA GLY 45 5.728 5.508 6.326 302 H ILE 46 H ILE 46 5.770 3.222 3.698 303 HA ILE 46 HA ILE 46 2.916 2.677 4.021 304 HB ILE 46 HB ILE 46 4.806 1.329 2.099 305 HG12 ILE 46 1HG1 ILE 46 3.001 3.621 1.372 306 HG13 ILE 46 2HG1 ILE 46 4.639 3.910 1.947 307 HG21 ILE 46 1HG2 ILE 46 1.964 1.160 2.685 308 HG22 ILE 46 2HG2 ILE 46 2.293 1.469 0.981 309 HG23 ILE 46 3HG2 ILE 46 2.999 0.061 1.773 310 HD11 ILE 46 1HD1 ILE 46 5.356 3.641 -0.122 311 HD12 ILE 46 2HD1 ILE 46 4.839 1.956 -0.055 312 HD13 ILE 46 3HD1 ILE 46 3.739 3.193 -0.663 313 H THR 47 H THR 47 2.214 1.111 5.302 314 HA THR 47 HA THR 47 3.923 -1.225 5.787 315 HB THR 47 HB THR 47 3.098 -1.171 8.208 316 HG1 THR 47 1HG THR 47 2.230 0.671 8.950 317 HG21 THR 47 1HG2 THR 47 5.363 -0.781 8.021 318 HG22 THR 47 2HG2 THR 47 4.822 0.733 8.744 319 HG23 THR 47 3HG2 THR 47 5.143 0.647 7.012 320 H VAL 48 H VAL 48 2.728 -3.068 6.704 321 HA VAL 48 HA VAL 48 -0.150 -2.989 6.091 322 HB VAL 48 HB VAL 48 1.838 -5.088 5.236 323 HG11 VAL 48 1HG1 VAL 48 -0.721 -5.779 4.314 324 HG12 VAL 48 2HG1 VAL 48 0.273 -6.644 5.489 325 HG13 VAL 48 3HG1 VAL 48 -0.894 -5.439 6.035 326 HG21 VAL 48 1HG2 VAL 48 0.978 -4.639 3.012 327 HG22 VAL 48 2HG2 VAL 48 -0.179 -3.481 3.669 328 HG23 VAL 48 3HG2 VAL 48 1.550 -3.144 3.754 329 H GLU 49 H GLU 49 -1.396 -3.750 7.673 330 HA GLU 49 HA GLU 49 -0.141 -5.427 9.746 331 HB2 GLU 49 1HB GLU 49 -2.019 -3.120 9.924 332 HB3 GLU 49 2HB GLU 49 -2.184 -4.409 11.108 333 HG2 GLU 49 1HG GLU 49 0.521 -3.286 10.627 334 HG3 GLU 49 2HG GLU 49 -0.641 -2.318 11.532 335 H GLY 50 H GLY 50 -1.403 -7.084 10.689 336 HA2 GLY 50 1HA GLY 50 -4.050 -7.700 10.119 337 HA3 GLY 50 2HA GLY 50 -3.084 -8.454 8.858 338 HA PRO 51 HA PRO 51 -3.413 -11.435 12.386 339 HB2 PRO 51 1HB PRO 51 -3.963 -13.584 10.821 340 HB3 PRO 51 2HB PRO 51 -5.213 -12.485 11.417 341 HG2 PRO 51 1HG PRO 51 -3.886 -12.568 8.735 342 HG3 PRO 51 2HG PRO 51 -5.599 -12.335 9.129 343 HD2 PRO 51 1HD PRO 51 -3.957 -10.277 8.492 344 HD3 PRO 51 2HD PRO 51 -5.310 -10.103 9.629 345 H SER 52 H SER 52 -1.328 -10.755 9.926 346 HA SER 52 HA SER 52 0.750 -12.387 11.026 347 HB2 SER 52 1HB SER 52 1.183 -13.846 9.242 348 HB3 SER 52 2HB SER 52 -0.574 -13.891 9.382 349 HG SER 52 HG SER 52 -0.579 -12.238 7.707 350 H GLU 53 H GLU 53 2.824 -11.771 10.321 351 HA GLU 53 HA GLU 53 2.968 -9.072 9.356 352 HB2 GLU 53 1HB GLU 53 4.468 -10.084 11.125 353 HB3 GLU 53 2HB GLU 53 5.271 -10.963 9.832 354 HG2 GLU 53 1HG GLU 53 5.881 -8.846 8.773 355 HG3 GLU 53 2HG GLU 53 5.088 -7.969 10.080 356 H SER 54 H SER 54 3.007 -8.497 7.297 357 HA SER 54 HA SER 54 3.634 -10.475 5.252 358 HB2 SER 54 1HB SER 54 2.632 -7.636 4.937 359 HB3 SER 54 2HB SER 54 2.716 -8.860 3.671 360 HG SER 54 HG SER 54 1.297 -9.463 6.001 361 H LYS 55 H LYS 55 5.283 -10.298 3.773 362 HA LYS 55 HA LYS 55 7.573 -8.775 4.616 363 HB2 LYS 55 1HB LYS 55 7.022 -10.839 2.533 364 HB3 LYS 55 2HB LYS 55 8.442 -9.820 2.339 365 HG2 LYS 55 1HG LYS 55 9.363 -10.573 4.399 366 HG3 LYS 55 2HG LYS 55 7.865 -11.402 4.831 367 HD2 LYS 55 1HD LYS 55 9.311 -13.098 4.077 368 HD3 LYS 55 2HD LYS 55 8.216 -12.793 2.726 369 HE2 LYS 55 1HE LYS 55 10.118 -11.083 2.048 370 HE3 LYS 55 2HE LYS 55 11.111 -12.173 3.015 371 HZ1 LYS 55 1HZ LYS 55 11.070 -12.772 0.653 372 HZ2 LYS 55 2HZ LYS 55 9.398 -13.012 0.739 373 HZ3 LYS 55 3HZ LYS 55 10.440 -14.004 1.628 374 H ILE 56 H ILE 56 7.191 -6.613 4.305 375 HA ILE 56 HA ILE 56 6.278 -5.659 1.716 376 HB ILE 56 HB ILE 56 6.906 -4.272 4.311 377 HG12 ILE 56 1HG1 ILE 56 4.365 -4.285 2.681 378 HG13 ILE 56 2HG1 ILE 56 4.710 -5.487 3.919 379 HG21 ILE 56 1HG2 ILE 56 6.004 -2.215 3.029 380 HG22 ILE 56 2HG2 ILE 56 7.693 -2.677 2.824 381 HG23 ILE 56 3HG2 ILE 56 6.507 -3.098 1.588 382 HD11 ILE 56 1HD1 ILE 56 3.525 -2.968 4.237 383 HD12 ILE 56 2HD1 ILE 56 3.976 -4.123 5.492 384 HD13 ILE 56 3HD1 ILE 56 5.115 -2.873 4.993 385 H ASN 57 H ASN 57 7.464 -4.286 0.360 386 HA ASN 57 HA ASN 57 10.263 -3.789 0.940 387 HB2 ASN 57 1HB ASN 57 9.339 -5.641 -1.248 388 HB3 ASN 57 2HB ASN 57 10.876 -4.788 -1.352 389 HD21 ASN 57 1HD2 ASN 57 9.632 -7.650 -0.655 390 HD22 ASN 57 2HD2 ASN 57 10.746 -8.212 0.541 391 H CYS 58 H CYS 58 10.474 -1.705 0.486 392 HA CYS 58 HA CYS 58 8.905 -0.542 -1.697 393 HB2 CYS 58 1HB CYS 58 10.172 0.539 0.780 394 HB3 CYS 58 2HB CYS 58 9.980 1.621 -0.594 395 HG CYS 58 HG CYS 58 7.104 0.480 -0.551 396 H ARG 59 H ARG 59 9.812 0.360 -3.475 397 HA ARG 59 HA ARG 59 12.753 0.286 -3.661 398 HB2 ARG 59 1HB ARG 59 10.645 -0.662 -5.546 399 HB3 ARG 59 2HB ARG 59 12.119 0.016 -6.224 400 HG2 ARG 59 1HG ARG 59 13.419 -1.709 -5.489 401 HG3 ARG 59 2HG ARG 59 12.369 -2.060 -4.115 402 HD2 ARG 59 1HD ARG 59 12.010 -3.861 -5.544 403 HD3 ARG 59 2HD ARG 59 10.652 -2.790 -5.886 404 HE ARG 59 HE ARG 59 12.947 -2.431 -7.603 405 HH11 ARG 59 1HH1 ARG 59 9.914 -4.069 -7.113 406 HH12 ARG 59 2HH1 ARG 59 9.680 -4.415 -8.795 407 HH21 ARG 59 1HH2 ARG 59 12.651 -2.881 -9.819 408 HH22 ARG 59 2HH2 ARG 59 11.238 -3.739 -10.333 409 H ASP 60 H ASP 60 13.745 1.875 -5.000 410 HA ASP 60 HA ASP 60 12.251 4.380 -5.042 411 HB2 ASP 60 1HB ASP 60 14.360 4.651 -4.029 412 HB3 ASP 60 2HB ASP 60 15.172 3.690 -5.262 413 H ASN 61 H ASN 61 11.403 5.200 -6.835 414 HA ASN 61 HA ASN 61 12.126 3.992 -9.406 415 HB2 ASN 61 1HB ASN 61 9.722 5.573 -8.495 416 HB3 ASN 61 2HB ASN 61 10.023 5.203 -10.191 417 HD21 ASN 61 1HD2 ASN 61 8.465 4.211 -7.470 418 HD22 ASN 61 2HD2 ASN 61 8.215 2.550 -7.872 419 H LYS 62 H LYS 62 13.298 5.067 -10.849 420 HA LYS 62 HA LYS 62 14.023 7.831 -10.311 421 HB2 LYS 62 1HB LYS 62 15.578 5.847 -11.073 422 HB3 LYS 62 2HB LYS 62 15.024 6.301 -12.679 423 HG2 LYS 62 1HG LYS 62 17.086 7.414 -12.268 424 HG3 LYS 62 2HG LYS 62 15.801 8.622 -12.217 425 HD2 LYS 62 1HD LYS 62 15.848 8.671 -9.826 426 HD3 LYS 62 2HD LYS 62 16.939 7.285 -9.766 427 HE2 LYS 62 1HE LYS 62 18.284 9.185 -9.378 428 HE3 LYS 62 2HE LYS 62 18.597 8.706 -11.046 429 HZ1 LYS 62 1HZ LYS 62 17.221 10.450 -11.840 430 HZ2 LYS 62 2HZ LYS 62 18.269 11.134 -10.703 431 HZ3 LYS 62 3HZ LYS 62 16.659 10.820 -10.287 432 H ASP 63 H ASP 63 11.370 7.634 -11.001 433 HA ASP 63 HA ASP 63 11.358 8.997 -13.602 434 HB2 ASP 63 1HB ASP 63 9.287 6.975 -12.719 435 HB3 ASP 63 2HB ASP 63 9.272 7.888 -14.225 436 H GLY 64 H GLY 64 9.095 8.153 -10.967 437 HA2 GLY 64 1HA GLY 64 8.788 10.570 -9.761 438 HA3 GLY 64 2HA GLY 64 7.773 10.703 -11.189 439 H SER 65 H SER 65 8.398 8.002 -8.958 440 HA SER 65 HA SER 65 5.817 8.154 -7.753 441 HB2 SER 65 1HB SER 65 5.024 5.929 -8.659 442 HB3 SER 65 2HB SER 65 5.002 7.257 -9.819 443 HG SER 65 HG SER 65 7.017 5.269 -9.584 444 H CYS 66 H CYS 66 5.396 5.771 -6.723 445 HA CYS 66 HA CYS 66 7.961 4.823 -5.645 446 HB2 CYS 66 1HB CYS 66 6.768 6.428 -4.085 447 HB3 CYS 66 2HB CYS 66 5.496 5.220 -3.948 448 HG CYS 66 HG CYS 66 8.619 4.137 -3.303 449 H SER 67 H SER 67 8.142 2.659 -5.406 450 HA SER 67 HA SER 67 5.785 1.048 -6.126 451 HB2 SER 67 1HB SER 67 8.706 0.749 -6.696 452 HB3 SER 67 2HB SER 67 7.712 -0.702 -6.578 453 HG SER 67 HG SER 67 6.481 0.005 -8.268 454 H ALA 68 H ALA 68 4.891 -0.046 -4.521 455 HA ALA 68 HA ALA 68 6.619 -1.031 -2.346 456 HB1 ALA 68 1HB ALA 68 5.120 0.944 -1.760 457 HB2 ALA 68 2HB ALA 68 3.770 -0.182 -1.914 458 HB3 ALA 68 3HB ALA 68 5.029 -0.472 -0.713 459 H GLU 69 H GLU 69 6.564 -3.162 -2.092 460 HA GLU 69 HA GLU 69 4.194 -4.630 -3.048 461 HB2 GLU 69 1HB GLU 69 5.674 -6.470 -3.703 462 HB3 GLU 69 2HB GLU 69 6.082 -4.989 -4.558 463 HG2 GLU 69 1HG GLU 69 7.928 -4.610 -2.982 464 HG3 GLU 69 2HG GLU 69 7.535 -6.131 -2.183 465 H TYR 70 H TYR 70 3.405 -6.250 -1.773 466 HA TYR 70 HA TYR 70 4.859 -6.907 0.688 467 HB2 TYR 70 1HB TYR 70 2.886 -6.608 2.053 468 HB3 TYR 70 2HB TYR 70 3.211 -5.110 1.188 469 HD1 TYR 70 1HD TYR 70 1.748 -4.390 -0.645 470 HD2 TYR 70 2HD TYR 70 0.905 -7.903 1.603 471 HE1 TYR 70 1HE TYR 70 -0.548 -4.396 -1.527 472 HE2 TYR 70 2HE TYR 70 -1.393 -7.920 0.726 473 HH TYR 70 HH TYR 70 -2.861 -5.388 -0.629 474 H ILE 71 H ILE 71 4.250 -8.907 1.654 475 HA ILE 71 HA ILE 71 2.492 -10.642 0.087 476 HB ILE 71 HB ILE 71 5.360 -11.308 0.751 477 HG12 ILE 71 1HG1 ILE 71 4.023 -11.426 -1.943 478 HG13 ILE 71 2HG1 ILE 71 4.732 -9.932 -1.340 479 HG21 ILE 71 1HG2 ILE 71 4.403 -13.398 -0.729 480 HG22 ILE 71 2HG2 ILE 71 4.606 -13.397 1.022 481 HG23 ILE 71 3HG2 ILE 71 3.034 -13.021 0.317 482 HD11 ILE 71 1HD1 ILE 71 6.868 -10.714 -1.523 483 HD12 ILE 71 2HD1 ILE 71 6.386 -12.400 -1.336 484 HD13 ILE 71 3HD1 ILE 71 6.096 -11.563 -2.861 485 HA PRO 72 HA PRO 72 1.459 -11.339 4.424 486 HB2 PRO 72 1HB PRO 72 -0.935 -12.502 3.889 487 HB3 PRO 72 2HB PRO 72 -0.697 -10.750 3.891 488 HG2 PRO 72 1HG PRO 72 -0.783 -12.648 1.577 489 HG3 PRO 72 2HG PRO 72 -1.524 -11.045 1.737 490 HD2 PRO 72 1HD PRO 72 0.785 -11.454 0.383 491 HD3 PRO 72 2HD PRO 72 0.446 -9.948 1.260 492 H PHE 73 H PHE 73 0.645 -13.352 5.580 493 HA PHE 73 HA PHE 73 1.690 -15.782 4.285 494 HB2 PHE 73 1HB PHE 73 2.133 -14.820 7.112 495 HB3 PHE 73 2HB PHE 73 2.437 -16.479 6.608 496 HD1 PHE 73 1HD PHE 73 3.254 -13.018 5.471 497 HD2 PHE 73 2HD PHE 73 4.595 -17.013 6.068 498 HE1 PHE 73 1HE PHE 73 5.506 -12.371 4.720 499 HE2 PHE 73 2HE PHE 73 6.849 -16.372 5.319 500 HZ PHE 73 HZ PHE 73 7.308 -14.048 4.645 501 H ALA 74 H ALA 74 -0.896 -14.266 5.781 502 HA ALA 74 HA ALA 74 -2.341 -16.798 5.947 503 HB1 ALA 74 1HB ALA 74 -3.260 -16.327 8.128 504 HB2 ALA 74 2HB ALA 74 -1.498 -16.340 8.223 505 HB3 ALA 74 3HB ALA 74 -2.369 -14.807 8.210 506 HA PRO 75 HA PRO 75 -5.463 -14.423 3.943 507 HB2 PRO 75 1HB PRO 75 -7.601 -16.012 4.464 508 HB3 PRO 75 2HB PRO 75 -6.355 -16.435 3.284 509 HG2 PRO 75 1HG PRO 75 -6.681 -17.365 6.111 510 HG3 PRO 75 2HG PRO 75 -6.255 -18.302 4.666 511 HD2 PRO 75 1HD PRO 75 -4.407 -17.476 6.465 512 HD3 PRO 75 2HD PRO 75 -4.048 -17.639 4.734 513 H GLY 76 H GLY 76 -6.791 -12.772 4.471 514 HA2 GLY 76 1HA GLY 76 -8.702 -12.557 6.383 515 HA3 GLY 76 2HA GLY 76 -7.225 -12.205 7.268 516 H ASP 77 H ASP 77 -8.674 -10.176 7.480 517 HA ASP 77 HA ASP 77 -8.453 -8.388 5.189 518 HB2 ASP 77 1HB ASP 77 -9.520 -7.481 7.827 519 HB3 ASP 77 2HB ASP 77 -10.045 -7.059 6.199 520 H TYR 78 H TYR 78 -6.840 -6.998 4.937 521 HA TYR 78 HA TYR 78 -5.148 -6.384 7.269 522 HB2 TYR 78 1HB TYR 78 -4.468 -6.636 4.340 523 HB3 TYR 78 2HB TYR 78 -3.383 -5.879 5.501 524 HD1 TYR 78 1HD TYR 78 -5.342 -9.039 5.094 525 HD2 TYR 78 2HD TYR 78 -1.759 -7.201 6.468 526 HE1 TYR 78 1HE TYR 78 -4.439 -11.251 5.681 527 HE2 TYR 78 2HE TYR 78 -0.846 -9.408 7.057 528 HH TYR 78 HH TYR 78 -2.801 -12.325 6.830 529 H ASP 79 H ASP 79 -4.048 -4.250 7.170 530 HA ASP 79 HA ASP 79 -5.693 -2.215 5.821 531 HB2 ASP 79 1HB ASP 79 -4.948 -2.434 8.705 532 HB3 ASP 79 2HB ASP 79 -5.051 -0.830 7.985 533 H VAL 80 H VAL 80 -4.292 -1.618 4.251 534 HA VAL 80 HA VAL 80 -1.481 -1.368 4.654 535 HB VAL 80 HB VAL 80 -3.181 -0.257 2.417 536 HG11 VAL 80 1HG1 VAL 80 -1.298 0.786 1.832 537 HG12 VAL 80 2HG1 VAL 80 -0.340 -0.107 3.016 538 HG13 VAL 80 3HG1 VAL 80 -0.666 -0.811 1.432 539 HG21 VAL 80 1HG2 VAL 80 -2.101 -2.947 2.993 540 HG22 VAL 80 2HG2 VAL 80 -3.533 -2.470 2.080 541 HG23 VAL 80 3HG2 VAL 80 -1.938 -2.371 1.334 542 H ASN 81 H ASN 81 -0.788 0.113 6.084 543 HA ASN 81 HA ASN 81 -2.044 2.721 6.258 544 HB2 ASN 81 1HB ASN 81 0.163 1.359 7.791 545 HB3 ASN 81 2HB ASN 81 -0.200 3.067 8.018 546 HD21 ASN 81 1HD2 ASN 81 -1.697 -0.134 8.042 547 HD22 ASN 81 2HD2 ASN 81 -2.845 0.219 9.284 548 H ILE 82 H ILE 82 -1.439 4.405 5.082 549 HA ILE 82 HA ILE 82 1.346 4.542 4.134 550 HB ILE 82 HB ILE 82 -1.114 5.319 2.564 551 HG12 ILE 82 1HG1 ILE 82 0.934 3.263 1.778 552 HG13 ILE 82 2HG1 ILE 82 -0.421 2.833 2.815 553 HG21 ILE 82 1HG2 ILE 82 1.676 6.096 2.340 554 HG22 ILE 82 2HG2 ILE 82 1.057 5.359 0.863 555 HG23 ILE 82 3HG2 ILE 82 0.248 6.766 1.552 556 HD11 ILE 82 1HD1 ILE 82 -1.316 4.290 0.498 557 HD12 ILE 82 2HD1 ILE 82 -0.375 2.869 0.043 558 HD13 ILE 82 3HD1 ILE 82 -1.789 2.695 1.082 559 H THR 83 H THR 83 2.343 6.276 4.892 560 HA THR 83 HA THR 83 0.786 8.742 5.301 561 HB THR 83 HB THR 83 2.236 9.242 7.271 562 HG1 THR 83 1HG THR 83 3.907 7.701 6.687 563 HG21 THR 83 1HG2 THR 83 0.531 6.754 7.383 564 HG22 THR 83 2HG2 THR 83 0.020 8.415 7.684 565 HG23 THR 83 3HG2 THR 83 1.120 7.613 8.806 566 H TYR 84 H TYR 84 1.707 10.597 4.595 567 HA TYR 84 HA TYR 84 4.376 10.368 3.374 568 HB2 TYR 84 1HB TYR 84 2.271 10.880 1.948 569 HB3 TYR 84 2HB TYR 84 2.371 12.489 2.654 570 HD1 TYR 84 1HD TYR 84 4.540 9.996 0.906 571 HD2 TYR 84 2HD TYR 84 3.601 14.097 1.542 572 HE1 TYR 84 1HE TYR 84 6.197 10.633 -0.796 573 HE2 TYR 84 2HE TYR 84 5.254 14.746 -0.160 574 HH TYR 84 HH TYR 84 7.081 12.301 -1.973 575 H GLY 85 H GLY 85 5.960 11.436 4.344 576 HA2 GLY 85 1HA GLY 85 7.093 13.110 5.450 577 HA3 GLY 85 2HA GLY 85 5.666 14.120 5.270 578 H GLY 86 H GLY 86 3.770 13.358 6.729 579 HA2 GLY 86 1HA GLY 86 4.418 12.052 9.178 580 HA3 GLY 86 2HA GLY 86 4.442 13.798 9.373 581 H ALA 87 H ALA 87 2.278 12.366 7.077 582 HA ALA 87 HA ALA 87 0.044 12.521 8.964 583 HB1 ALA 87 1HB ALA 87 0.343 14.133 6.459 584 HB2 ALA 87 2HB ALA 87 -1.254 13.700 7.071 585 HB3 ALA 87 3HB ALA 87 -0.156 14.654 8.068 586 H HIS 88 H HIS 88 -2.001 11.649 7.956 587 HA HIS 88 HA HIS 88 -1.320 9.249 6.423 588 HB2 HIS 88 1HB HIS 88 -3.488 9.974 8.336 589 HB3 HIS 88 2HB HIS 88 -3.852 8.777 7.097 590 HD1 HIS 88 1HD HIS 88 -2.656 6.494 7.265 591 HD2 HIS 88 2HD HIS 88 -1.707 9.137 10.327 592 HE1 HIS 88 1HE HIS 88 -1.480 5.112 9.007 593 HE2 HIS 88 2HE HIS 88 -0.992 6.715 10.887 594 H ILE 89 H ILE 89 -1.815 9.079 4.343 595 HA ILE 89 HA ILE 89 -3.040 11.167 2.898 596 HB ILE 89 HB ILE 89 -2.893 9.753 0.960 597 HG12 ILE 89 1HG1 ILE 89 -2.111 7.432 2.716 598 HG13 ILE 89 2HG1 ILE 89 -3.783 7.712 2.243 599 HG21 ILE 89 1HG2 ILE 89 -0.628 9.684 0.849 600 HG22 ILE 89 2HG2 ILE 89 -0.781 10.581 2.358 601 HG23 ILE 89 3HG2 ILE 89 -0.466 8.847 2.392 602 HD11 ILE 89 1HD1 ILE 89 -3.380 7.211 0.035 603 HD12 ILE 89 2HD1 ILE 89 -1.657 7.568 0.159 604 HD13 ILE 89 3HD1 ILE 89 -2.305 6.091 0.872 605 HA PRO 90 HA PRO 90 -7.336 10.295 3.191 606 HB2 PRO 90 1HB PRO 90 -8.188 11.201 0.778 607 HB3 PRO 90 2HB PRO 90 -7.679 12.278 2.083 608 HG2 PRO 90 1HG PRO 90 -6.147 11.355 -0.317 609 HG3 PRO 90 2HG PRO 90 -6.238 12.976 0.397 610 HD2 PRO 90 1HD PRO 90 -4.146 11.310 0.826 611 HD3 PRO 90 2HD PRO 90 -4.707 12.473 2.045 612 H GLY 91 H GLY 91 -7.161 7.978 3.219 613 HA2 GLY 91 1HA GLY 91 -8.724 6.532 1.601 614 HA3 GLY 91 2HA GLY 91 -7.229 6.567 0.678 615 H SER 92 H SER 92 -5.827 6.663 3.426 616 HA SER 92 HA SER 92 -5.802 3.748 3.770 617 HB2 SER 92 1HB SER 92 -3.598 4.257 3.424 618 HB3 SER 92 2HB SER 92 -3.767 5.896 4.054 619 HG SER 92 HG SER 92 -3.587 5.138 6.100 620 HA PRO 93 HA PRO 93 -4.585 2.483 5.363 621 HB2 PRO 93 1HB PRO 93 -5.820 0.432 6.643 622 HB3 PRO 93 2HB PRO 93 -4.587 1.440 7.410 623 HG2 PRO 93 1HG PRO 93 -7.568 1.595 7.633 624 HG3 PRO 93 2HG PRO 93 -6.342 1.737 8.906 625 HD2 PRO 93 1HD PRO 93 -7.558 3.893 7.807 626 HD3 PRO 93 2HD PRO 93 -5.882 3.937 8.392 627 H PHE 94 H PHE 94 -4.927 1.035 3.707 628 HA PHE 94 HA PHE 94 -7.595 1.098 2.509 629 HB2 PHE 94 1HB PHE 94 -4.904 0.304 1.383 630 HB3 PHE 94 2HB PHE 94 -6.415 0.198 0.486 631 HD1 PHE 94 2HD PHE 94 -4.077 2.538 2.129 632 HD2 PHE 94 1HD PHE 94 -7.353 2.090 -0.552 633 HE1 PHE 94 2HE PHE 94 -3.816 4.881 1.424 634 HE2 PHE 94 1HE PHE 94 -7.096 4.432 -1.262 635 HZ PHE 94 HZ PHE 94 -5.327 5.831 -0.273 636 H ARG 95 H ARG 95 -8.879 -0.502 3.167 637 HA ARG 95 HA ARG 95 -7.975 -2.983 4.170 638 HB2 ARG 95 1HB ARG 95 -10.274 -1.713 4.429 639 HB3 ARG 95 2HB ARG 95 -10.723 -2.686 3.034 640 HG2 ARG 95 1HG ARG 95 -9.660 -3.802 5.619 641 HG3 ARG 95 2HG ARG 95 -11.370 -3.689 5.198 642 HD2 ARG 95 1HD ARG 95 -9.231 -5.331 3.861 643 HD3 ARG 95 2HD ARG 95 -10.677 -5.903 4.693 644 HE ARG 95 HE ARG 95 -10.487 -5.007 1.977 645 HH11 ARG 95 1HH1 ARG 95 -12.610 -5.351 4.715 646 HH12 ARG 95 2HH1 ARG 95 -14.052 -5.403 3.755 647 HH21 ARG 95 1HH2 ARG 95 -12.377 -5.075 0.703 648 HH22 ARG 95 2HH2 ARG 95 -13.918 -5.247 1.473 649 H VAL 96 H VAL 96 -7.405 -4.801 3.169 650 HA VAL 96 HA VAL 96 -8.255 -5.221 0.386 651 HB VAL 96 HB VAL 96 -5.463 -5.842 1.341 652 HG11 VAL 96 1HG1 VAL 96 -5.021 -5.981 -1.100 653 HG12 VAL 96 2HG1 VAL 96 -6.163 -7.194 -0.518 654 HG13 VAL 96 3HG1 VAL 96 -6.749 -5.773 -1.384 655 HG21 VAL 96 1HG2 VAL 96 -5.446 -3.523 1.417 656 HG22 VAL 96 2HG2 VAL 96 -4.903 -3.860 -0.227 657 HG23 VAL 96 3HG2 VAL 96 -6.571 -3.369 0.068 658 HA PRO 97 HA PRO 97 -9.411 -9.095 2.291 659 HB2 PRO 97 1HB PRO 97 -10.593 -10.127 0.075 660 HB3 PRO 97 2HB PRO 97 -11.372 -8.922 1.107 661 HG2 PRO 97 1HG PRO 97 -9.926 -8.544 -1.487 662 HG3 PRO 97 2HG PRO 97 -11.446 -7.815 -0.937 663 HD2 PRO 97 1HD PRO 97 -9.084 -6.493 -0.859 664 HD3 PRO 97 2HD PRO 97 -10.368 -6.225 0.337 665 H VAL 98 H VAL 98 -7.603 -10.291 2.639 666 HA VAL 98 HA VAL 98 -6.048 -11.276 0.379 667 HB VAL 98 HB VAL 98 -5.609 -11.519 3.357 668 HG11 VAL 98 1HG1 VAL 98 -3.702 -12.342 1.178 669 HG12 VAL 98 2HG1 VAL 98 -3.539 -12.597 2.916 670 HG13 VAL 98 3HG1 VAL 98 -4.772 -13.472 2.007 671 HG21 VAL 98 1HG2 VAL 98 -5.153 -9.394 1.645 672 HG22 VAL 98 2HG2 VAL 98 -4.422 -9.634 3.232 673 HG23 VAL 98 3HG2 VAL 98 -3.577 -10.175 1.781 674 H LYS 99 H LYS 99 -6.904 -12.997 -0.608 675 HA LYS 99 HA LYS 99 -8.248 -15.060 0.963 676 HB2 LYS 99 1HB LYS 99 -7.947 -14.873 -2.038 677 HB3 LYS 99 2HB LYS 99 -9.036 -15.931 -1.150 678 HG2 LYS 99 1HG LYS 99 -10.472 -14.206 -0.593 679 HG3 LYS 99 2HG LYS 99 -9.241 -12.966 -0.847 680 HD2 LYS 99 1HD LYS 99 -10.801 -12.839 -2.656 681 HD3 LYS 99 2HD LYS 99 -9.298 -13.519 -3.284 682 HE2 LYS 99 1HE LYS 99 -10.204 -15.709 -3.325 683 HE3 LYS 99 2HE LYS 99 -11.606 -15.222 -2.374 684 HZ1 LYS 99 1HZ LYS 99 -12.023 -15.501 -4.801 685 HZ2 LYS 99 2HZ LYS 99 -11.028 -14.163 -5.082 686 HZ3 LYS 99 3HZ LYS 99 -12.454 -13.984 -4.189 687 H ASP 100 H ASP 100 -7.783 -17.353 0.443 688 HA ASP 100 HA ASP 100 -4.889 -17.743 0.063 689 HB2 ASP 100 1HB ASP 100 -5.464 -19.993 1.270 690 HB3 ASP 100 2HB ASP 100 -5.296 -18.514 2.211 691 H VAL 101 H VAL 101 -4.236 -18.832 -1.668 692 HA VAL 101 HA VAL 101 -5.711 -19.567 -3.806 693 HB VAL 101 HB VAL 101 -3.276 -21.053 -2.808 694 HG11 VAL 101 1HG1 VAL 101 -3.750 -20.866 -5.691 695 HG12 VAL 101 2HG1 VAL 101 -3.224 -22.237 -4.712 696 HG13 VAL 101 3HG1 VAL 101 -4.938 -21.838 -4.823 697 HG21 VAL 101 1HG2 VAL 101 -3.207 -18.988 -4.953 698 HG22 VAL 101 2HG2 VAL 101 -3.284 -18.464 -3.271 699 HG23 VAL 101 3HG2 VAL 101 -1.949 -19.478 -3.818 700 H VAL 102 H VAL 102 -4.733 -21.855 -1.247 701 HA VAL 102 HA VAL 102 -5.812 -24.177 -1.967 702 HB VAL 102 HB VAL 102 -4.843 -23.913 0.229 703 HG11 VAL 102 1HG1 VAL 102 -7.251 -22.765 1.475 704 HG12 VAL 102 2HG1 VAL 102 -5.544 -22.481 1.822 705 HG13 VAL 102 3HG1 VAL 102 -6.317 -21.663 0.464 706 HG21 VAL 102 1HG2 VAL 102 -6.024 -25.861 0.310 707 HG22 VAL 102 2HG2 VAL 102 -6.862 -24.973 1.583 708 HG23 VAL 102 3HG2 VAL 102 -7.565 -25.073 -0.031 709 H ASP 103 H ASP 103 -7.681 -24.883 -2.738 710 HA ASP 103 HA ASP 103 -9.980 -23.221 -2.892 711 HB2 ASP 103 1HB ASP 103 -11.072 -25.267 -3.850 712 HB3 ASP 103 2HB ASP 103 -9.577 -24.800 -4.657 713 HA PRO 104 HA PRO 104 -12.019 -24.156 0.889 714 HB2 PRO 104 1HB PRO 104 -14.588 -23.687 0.145 715 HB3 PRO 104 2HB PRO 104 -13.412 -22.393 0.405 716 HG2 PRO 104 1HG PRO 104 -14.316 -23.642 -2.161 717 HG3 PRO 104 2HG PRO 104 -14.045 -21.931 -1.784 718 HD2 PRO 104 1HD PRO 104 -12.241 -23.429 -3.138 719 HD3 PRO 104 2HD PRO 104 -11.763 -22.103 -2.059 720 H SER 105 H SER 105 -12.897 -25.892 1.894 721 HA SER 105 HA SER 105 -13.627 -28.171 0.214 722 HB2 SER 105 1HB SER 105 -13.363 -29.502 2.279 723 HB3 SER 105 2HB SER 105 -11.918 -28.557 1.923 724 HG SER 105 HG SER 105 -12.224 -28.067 3.983 Start of MODEL 18 1 H1 GLY 1 H GLY 1 10.632 29.081 -11.501 2 HA2 GLY 1 1HA GLY 1 11.891 26.535 -10.687 3 HA3 GLY 1 2HA GLY 1 12.687 28.099 -10.591 4 H SER 2 H SER 2 12.903 26.912 -8.347 5 HA SER 2 HA SER 2 10.695 27.871 -6.645 6 HB2 SER 2 1HB SER 2 11.058 26.078 -5.140 7 HB3 SER 2 2HB SER 2 11.108 25.347 -6.744 8 HG SER 2 HG SER 2 13.354 25.333 -6.626 9 H SER 3 H SER 3 11.631 28.033 -4.245 10 HA SER 3 HA SER 3 13.919 29.865 -4.449 11 HB2 SER 3 1HB SER 3 13.019 30.486 -2.051 12 HB3 SER 3 2HB SER 3 12.215 31.108 -3.492 13 HG SER 3 HG SER 3 11.444 28.776 -2.067 14 H GLY 4 H GLY 4 13.071 26.785 -3.374 15 HA2 GLY 4 1HA GLY 4 14.378 25.174 -2.359 16 HA3 GLY 4 2HA GLY 4 15.665 26.363 -2.226 17 H SER 5 H SER 5 13.048 24.793 -0.634 18 HA SER 5 HA SER 5 13.990 25.710 1.926 19 HB2 SER 5 1HB SER 5 11.201 26.456 1.015 20 HB3 SER 5 2HB SER 5 11.812 26.632 2.660 21 HG SER 5 HG SER 5 12.824 28.380 2.080 22 H SER 6 H SER 6 14.170 23.777 2.858 23 HA SER 6 HA SER 6 12.547 21.543 2.253 24 HB2 SER 6 1HB SER 6 13.647 20.516 4.260 25 HB3 SER 6 2HB SER 6 14.782 21.197 3.095 26 HG SER 6 HG SER 6 15.518 22.184 4.807 27 H GLY 7 H GLY 7 10.406 21.682 2.623 28 HA2 GLY 7 1HA GLY 7 9.136 21.157 4.899 29 HA3 GLY 7 2HA GLY 7 9.422 22.880 5.091 30 H GLY 8 H GLY 8 6.878 21.493 4.912 31 HA2 GLY 8 1HA GLY 8 4.845 22.313 4.068 32 HA3 GLY 8 2HA GLY 8 5.730 23.112 2.776 33 H CYS 9 H CYS 9 3.816 20.466 3.614 34 HA CYS 9 HA CYS 9 4.123 19.369 0.927 35 HB2 CYS 9 1HB CYS 9 4.256 17.067 1.742 36 HB3 CYS 9 2HB CYS 9 5.614 18.014 2.336 37 HG CYS 9 HG CYS 9 3.194 18.170 4.540 38 H GLN 10 H GLN 10 2.412 17.492 0.693 39 HA GLN 10 HA GLN 10 -0.028 18.076 2.181 40 HB2 GLN 10 1HB GLN 10 0.228 18.348 -0.815 41 HB3 GLN 10 2HB GLN 10 -1.314 18.227 0.021 42 HG2 GLN 10 1HG GLN 10 -1.122 20.489 -0.183 43 HG3 GLN 10 2HG GLN 10 -0.383 20.245 1.398 44 HE21 GLN 10 1HE2 GLN 10 1.365 21.411 1.670 45 HE22 GLN 10 2HE2 GLN 10 2.524 21.820 0.456 46 HA PRO 11 HA PRO 11 0.228 13.596 1.737 47 HB2 PRO 11 1HB PRO 11 -1.546 13.080 3.726 48 HB3 PRO 11 2HB PRO 11 0.149 13.475 4.030 49 HG2 PRO 11 1HG PRO 11 -2.262 15.243 4.171 50 HG3 PRO 11 2HG PRO 11 -0.886 15.137 5.284 51 HD2 PRO 11 1HD PRO 11 -1.105 17.088 3.419 52 HD3 PRO 11 2HD PRO 11 0.462 16.436 3.939 53 H SER 12 H SER 12 -2.360 15.788 1.310 54 HA SER 12 HA SER 12 -4.357 13.820 0.653 55 HB2 SER 12 1HB SER 12 -4.395 16.781 0.037 56 HB3 SER 12 2HB SER 12 -5.778 15.690 0.114 57 HG SER 12 HG SER 12 -5.253 15.397 2.362 58 H ARG 13 H ARG 13 -2.087 15.863 -1.086 59 HA ARG 13 HA ARG 13 -3.106 15.441 -3.680 60 HB2 ARG 13 1HB ARG 13 -0.217 15.944 -2.962 61 HB3 ARG 13 2HB ARG 13 -1.022 16.321 -4.480 62 HG2 ARG 13 1HG ARG 13 -2.084 17.559 -2.001 63 HG3 ARG 13 2HG ARG 13 -0.556 18.160 -2.647 64 HD2 ARG 13 1HD ARG 13 -2.988 17.838 -4.376 65 HD3 ARG 13 2HD ARG 13 -2.715 19.297 -3.425 66 HE ARG 13 HE ARG 13 -0.401 19.049 -4.765 67 HH11 ARG 13 1HH1 ARG 13 -3.724 18.941 -5.795 68 HH12 ARG 13 2HH1 ARG 13 -3.392 19.574 -7.373 69 HH21 ARG 13 1HH2 ARG 13 0.050 19.883 -6.839 70 HH22 ARG 13 2HH2 ARG 13 -1.245 20.108 -7.966 71 H VAL 14 H VAL 14 -1.350 13.413 -1.552 72 HA VAL 14 HA VAL 14 -0.051 11.758 -3.451 73 HB VAL 14 HB VAL 14 -0.974 10.932 -0.700 74 HG11 VAL 14 1HG1 VAL 14 0.568 9.669 -2.781 75 HG12 VAL 14 2HG1 VAL 14 1.519 9.836 -1.304 76 HG13 VAL 14 3HG1 VAL 14 -0.033 8.999 -1.266 77 HG21 VAL 14 1HG2 VAL 14 1.621 12.273 -1.450 78 HG22 VAL 14 2HG2 VAL 14 0.275 13.068 -0.635 79 HG23 VAL 14 3HG2 VAL 14 1.131 11.747 0.160 80 H GLN 15 H GLN 15 -0.628 9.731 -4.257 81 HA GLN 15 HA GLN 15 -3.436 8.937 -3.924 82 HB2 GLN 15 1HB GLN 15 -3.078 8.264 -6.498 83 HB3 GLN 15 2HB GLN 15 -3.750 9.809 -5.996 84 HG2 GLN 15 1HG GLN 15 -1.621 10.884 -6.259 85 HG3 GLN 15 2HG GLN 15 -0.840 9.340 -6.596 86 HE21 GLN 15 1HE2 GLN 15 -2.585 8.180 -8.330 87 HE22 GLN 15 2HE2 GLN 15 -2.669 9.101 -9.789 88 H ALA 16 H ALA 16 -3.873 6.712 -4.321 89 HA ALA 16 HA ALA 16 -1.612 4.930 -4.735 90 HB1 ALA 16 1HB ALA 16 -2.013 5.545 -2.201 91 HB2 ALA 16 2HB ALA 16 -3.272 4.318 -2.345 92 HB3 ALA 16 3HB ALA 16 -1.593 3.905 -2.694 93 H GLN 17 H GLN 17 -2.249 3.437 -6.133 94 HA GLN 17 HA GLN 17 -4.851 2.175 -5.851 95 HB2 GLN 17 1HB GLN 17 -5.516 2.565 -8.153 96 HB3 GLN 17 2HB GLN 17 -5.276 4.102 -7.332 97 HG2 GLN 17 1HG GLN 17 -3.174 4.432 -8.418 98 HG3 GLN 17 2HG GLN 17 -3.220 2.809 -9.104 99 HE21 GLN 17 1HE2 GLN 17 -3.572 5.930 -9.860 100 HE22 GLN 17 2HE2 GLN 17 -4.677 5.812 -11.183 101 H GLY 18 H GLY 18 -5.089 0.343 -7.460 102 HA2 GLY 18 1HA GLY 18 -3.600 -0.963 -9.085 103 HA3 GLY 18 2HA GLY 18 -2.462 -0.963 -7.746 104 HA PRO 19 HA PRO 19 -5.157 -4.780 -7.559 105 HB2 PRO 19 1HB PRO 19 -3.105 -6.557 -7.523 106 HB3 PRO 19 2HB PRO 19 -3.834 -5.961 -9.019 107 HG2 PRO 19 1HG PRO 19 -1.318 -5.081 -7.657 108 HG3 PRO 19 2HG PRO 19 -1.617 -5.362 -9.382 109 HD2 PRO 19 1HD PRO 19 -1.598 -2.883 -8.291 110 HD3 PRO 19 2HD PRO 19 -2.633 -3.313 -9.668 111 H GLY 20 H GLY 20 -1.989 -4.290 -5.983 112 HA2 GLY 20 1HA GLY 20 -2.419 -5.820 -3.710 113 HA3 GLY 20 2HA GLY 20 -1.369 -4.412 -3.776 114 H LEU 21 H LEU 21 -4.026 -2.973 -4.619 115 HA LEU 21 HA LEU 21 -4.810 -2.388 -1.852 116 HB2 LEU 21 1HB LEU 21 -5.112 -0.807 -4.397 117 HB3 LEU 21 2HB LEU 21 -5.808 -0.321 -2.852 118 HG LEU 21 HG LEU 21 -2.865 -0.607 -3.457 119 HD11 LEU 21 1HD1 LEU 21 -4.770 1.640 -3.571 120 HD12 LEU 21 2HD1 LEU 21 -3.262 1.380 -4.447 121 HD13 LEU 21 3HD1 LEU 21 -3.226 1.968 -2.785 122 HD21 LEU 21 1HD2 LEU 21 -3.335 0.870 -1.108 123 HD22 LEU 21 2HD2 LEU 21 -2.561 -0.708 -1.262 124 HD23 LEU 21 3HD2 LEU 21 -4.300 -0.601 -0.982 125 H LYS 22 H LYS 22 -6.064 -3.336 -4.988 126 HA LYS 22 HA LYS 22 -8.819 -3.198 -4.217 127 HB2 LYS 22 1HB LYS 22 -8.348 -2.966 -6.537 128 HB3 LYS 22 2HB LYS 22 -7.387 -4.439 -6.561 129 HG2 LYS 22 1HG LYS 22 -9.416 -5.754 -6.143 130 HG3 LYS 22 2HG LYS 22 -10.368 -4.268 -6.169 131 HD2 LYS 22 1HD LYS 22 -8.626 -5.104 -8.474 132 HD3 LYS 22 2HD LYS 22 -10.301 -5.637 -8.317 133 HE2 LYS 22 1HE LYS 22 -10.499 -3.753 -9.646 134 HE3 LYS 22 2HE LYS 22 -10.817 -3.114 -8.033 135 HZ1 LYS 22 1HZ LYS 22 -8.958 -1.888 -8.064 136 HZ2 LYS 22 2HZ LYS 22 -9.048 -2.068 -9.743 137 HZ3 LYS 22 3HZ LYS 22 -8.038 -3.078 -8.838 138 H GLU 23 H GLU 23 -6.599 -5.916 -4.856 139 HA GLU 23 HA GLU 23 -7.772 -7.443 -2.712 140 HB2 GLU 23 1HB GLU 23 -8.641 -9.245 -3.976 141 HB3 GLU 23 2HB GLU 23 -9.294 -7.788 -4.711 142 HG2 GLU 23 1HG GLU 23 -7.594 -7.914 -6.464 143 HG3 GLU 23 2HG GLU 23 -6.956 -9.384 -5.732 144 H ALA 24 H ALA 24 -6.508 -9.211 -2.086 145 HA ALA 24 HA ALA 24 -4.044 -9.703 -3.593 146 HB1 ALA 24 1HB ALA 24 -2.779 -9.645 -1.401 147 HB2 ALA 24 2HB ALA 24 -3.289 -8.086 -2.050 148 HB3 ALA 24 3HB ALA 24 -4.184 -8.823 -0.721 149 H PHE 25 H PHE 25 -2.762 -11.510 -2.277 150 HA PHE 25 HA PHE 25 -4.655 -13.506 -1.265 151 HB2 PHE 25 1HB PHE 25 -2.932 -13.718 -3.681 152 HB3 PHE 25 2HB PHE 25 -3.073 -15.146 -2.662 153 HD1 PHE 25 2HD PHE 25 -5.023 -12.682 -4.615 154 HD2 PHE 25 1HD PHE 25 -4.981 -16.504 -2.741 155 HE1 PHE 25 2HE PHE 25 -7.168 -13.228 -5.688 156 HE2 PHE 25 1HE PHE 25 -7.126 -17.056 -3.812 157 HZ PHE 25 HZ PHE 25 -8.223 -15.417 -5.287 158 H THR 26 H THR 26 -3.362 -15.491 -0.446 159 HA THR 26 HA THR 26 -1.439 -14.484 1.455 160 HB THR 26 HB THR 26 -1.447 -16.784 2.365 161 HG1 THR 26 1HG THR 26 -2.931 -18.283 1.407 162 HG21 THR 26 1HG2 THR 26 -4.010 -15.311 1.900 163 HG22 THR 26 2HG2 THR 26 -3.077 -15.493 3.386 164 HG23 THR 26 3HG2 THR 26 -4.024 -16.846 2.768 165 H ASN 27 H ASN 27 0.714 -14.653 1.359 166 HA ASN 27 HA ASN 27 2.804 -15.101 0.584 167 HB2 ASN 27 1HB ASN 27 1.499 -17.706 -0.234 168 HB3 ASN 27 2HB ASN 27 3.236 -17.413 -0.227 169 HD21 ASN 27 1HD2 ASN 27 0.491 -16.923 1.974 170 HD22 ASN 27 2HD2 ASN 27 1.276 -17.575 3.368 171 H LYS 28 H LYS 28 0.955 -13.696 -1.128 172 HA LYS 28 HA LYS 28 2.107 -14.391 -3.750 173 HB2 LYS 28 1HB LYS 28 -0.676 -13.511 -3.034 174 HB3 LYS 28 2HB LYS 28 -0.030 -13.226 -4.645 175 HG2 LYS 28 1HG LYS 28 0.538 -15.808 -4.468 176 HG3 LYS 28 2HG LYS 28 -0.813 -15.765 -3.332 177 HD2 LYS 28 1HD LYS 28 -1.966 -16.139 -5.266 178 HD3 LYS 28 2HD LYS 28 -1.933 -14.375 -5.291 179 HE2 LYS 28 1HE LYS 28 -1.243 -14.870 -7.429 180 HE3 LYS 28 2HE LYS 28 0.303 -14.724 -6.594 181 HZ1 LYS 28 1HZ LYS 28 0.409 -17.110 -6.396 182 HZ2 LYS 28 2HZ LYS 28 0.191 -16.692 -8.021 183 HZ3 LYS 28 3HZ LYS 28 -1.112 -17.283 -7.118 184 HA PRO 29 HA PRO 29 3.793 -10.326 -3.787 185 HB2 PRO 29 1HB PRO 29 4.092 -10.001 -6.465 186 HB3 PRO 29 2HB PRO 29 5.133 -11.058 -5.504 187 HG2 PRO 29 1HG PRO 29 2.780 -11.764 -7.214 188 HG3 PRO 29 2HG PRO 29 4.346 -12.583 -7.073 189 HD2 PRO 29 1HD PRO 29 2.119 -13.470 -5.814 190 HD3 PRO 29 2HD PRO 29 3.746 -13.667 -5.130 191 H ASN 30 H ASN 30 2.409 -8.751 -3.184 192 HA ASN 30 HA ASN 30 0.416 -7.856 -5.163 193 HB2 ASN 30 1HB ASN 30 0.092 -7.228 -2.259 194 HB3 ASN 30 2HB ASN 30 -1.137 -7.443 -3.501 195 HD21 ASN 30 1HD2 ASN 30 0.736 -8.935 -1.064 196 HD22 ASN 30 2HD2 ASN 30 0.077 -10.525 -1.212 197 H VAL 31 H VAL 31 1.062 -6.035 -6.093 198 HA VAL 31 HA VAL 31 2.421 -4.014 -4.429 199 HB VAL 31 HB VAL 31 3.646 -3.260 -6.366 200 HG11 VAL 31 1HG1 VAL 31 3.978 -5.772 -5.145 201 HG12 VAL 31 2HG1 VAL 31 4.330 -5.996 -6.859 202 HG13 VAL 31 3HG1 VAL 31 5.206 -4.779 -5.929 203 HG21 VAL 31 1HG2 VAL 31 3.212 -3.815 -8.509 204 HG22 VAL 31 2HG2 VAL 31 2.823 -5.488 -8.111 205 HG23 VAL 31 3HG2 VAL 31 1.621 -4.222 -7.864 206 H PHE 32 H PHE 32 2.237 -1.764 -5.469 207 HA PHE 32 HA PHE 32 -0.214 -1.290 -6.934 208 HB2 PHE 32 1HB PHE 32 -0.929 0.404 -5.116 209 HB3 PHE 32 2HB PHE 32 -1.263 -1.302 -4.842 210 HD1 PHE 32 2HD PHE 32 0.209 -2.605 -3.308 211 HD2 PHE 32 1HD PHE 32 0.471 1.628 -3.673 212 HE1 PHE 32 2HE PHE 32 1.423 -2.499 -1.170 213 HE2 PHE 32 1HE PHE 32 1.686 1.741 -1.536 214 HZ PHE 32 HZ PHE 32 2.162 -0.324 -0.281 215 H THR 33 H THR 33 -0.438 0.930 -7.627 216 HA THR 33 HA THR 33 2.163 2.178 -8.021 217 HB THR 33 HB THR 33 -0.472 3.066 -9.197 218 HG1 THR 33 1HG THR 33 1.392 1.414 -10.540 219 HG21 THR 33 1HG2 THR 33 2.143 3.338 -10.581 220 HG22 THR 33 2HG2 THR 33 1.828 4.408 -9.215 221 HG23 THR 33 3HG2 THR 33 0.737 4.402 -10.600 222 H VAL 34 H VAL 34 2.820 4.001 -7.062 223 HA VAL 34 HA VAL 34 0.831 5.592 -5.579 224 HB VAL 34 HB VAL 34 3.635 4.903 -4.689 225 HG11 VAL 34 1HG1 VAL 34 1.751 7.016 -3.869 226 HG12 VAL 34 2HG1 VAL 34 2.512 6.111 -2.559 227 HG13 VAL 34 3HG1 VAL 34 3.509 6.950 -3.748 228 HG21 VAL 34 1HG2 VAL 34 1.091 3.655 -4.259 229 HG22 VAL 34 2HG2 VAL 34 2.686 3.154 -3.696 230 HG23 VAL 34 3HG2 VAL 34 1.720 4.269 -2.730 231 H VAL 35 H VAL 35 0.636 7.399 -6.755 232 HA VAL 35 HA VAL 35 3.015 8.621 -7.941 233 HB VAL 35 HB VAL 35 0.068 9.072 -8.337 234 HG11 VAL 35 1HG1 VAL 35 2.238 10.988 -8.666 235 HG12 VAL 35 2HG1 VAL 35 1.311 10.727 -10.145 236 HG13 VAL 35 3HG1 VAL 35 0.493 11.240 -8.669 237 HG21 VAL 35 1HG2 VAL 35 2.331 7.977 -9.929 238 HG22 VAL 35 2HG2 VAL 35 0.677 7.389 -9.766 239 HG23 VAL 35 3HG2 VAL 35 1.018 8.791 -10.780 240 H THR 36 H THR 36 4.101 9.946 -6.640 241 HA THR 36 HA THR 36 2.565 11.859 -5.007 242 HB THR 36 HB THR 36 4.496 11.836 -3.399 243 HG1 THR 36 1HG THR 36 5.693 9.708 -3.599 244 HG21 THR 36 1HG2 THR 36 2.374 10.578 -3.024 245 HG22 THR 36 2HG2 THR 36 3.776 9.855 -2.236 246 HG23 THR 36 3HG2 THR 36 3.144 9.157 -3.727 247 H ARG 37 H ARG 37 3.107 12.684 -7.459 248 HA ARG 37 HA ARG 37 5.674 14.050 -7.523 249 HB2 ARG 37 1HB ARG 37 5.141 14.638 -9.779 250 HB3 ARG 37 2HB ARG 37 4.693 12.952 -9.553 251 HG2 ARG 37 1HG ARG 37 2.846 13.686 -10.649 252 HG3 ARG 37 2HG ARG 37 2.344 14.025 -8.992 253 HD2 ARG 37 1HD ARG 37 1.855 16.025 -10.003 254 HD3 ARG 37 2HD ARG 37 3.499 16.333 -9.445 255 HE ARG 37 HE ARG 37 3.301 15.287 -12.130 256 HH11 ARG 37 1HH1 ARG 37 3.424 18.129 -10.123 257 HH12 ARG 37 2HH1 ARG 37 3.979 19.164 -11.397 258 HH21 ARG 37 1HH2 ARG 37 4.031 16.640 -13.816 259 HH22 ARG 37 2HH2 ARG 37 4.323 18.316 -13.497 260 H GLY 38 H GLY 38 2.306 14.731 -6.937 261 HA2 GLY 38 1HA GLY 38 2.934 17.607 -6.736 262 HA3 GLY 38 2HA GLY 38 1.328 16.952 -7.016 263 H ALA 39 H ALA 39 3.560 15.633 -4.661 264 HA ALA 39 HA ALA 39 1.676 16.409 -2.546 265 HB1 ALA 39 1HB ALA 39 3.399 14.609 -1.401 266 HB2 ALA 39 2HB ALA 39 1.823 14.226 -2.095 267 HB3 ALA 39 3HB ALA 39 3.283 14.032 -3.064 268 H GLY 40 H GLY 40 5.199 15.874 -2.839 269 HA2 GLY 40 1HA GLY 40 6.269 18.255 -2.310 270 HA3 GLY 40 2HA GLY 40 5.658 17.820 -0.721 271 H ILE 41 H ILE 41 7.840 17.883 0.040 272 HA ILE 41 HA ILE 41 9.465 15.581 -0.820 273 HB ILE 41 HB ILE 41 10.410 18.074 0.597 274 HG12 ILE 41 1HG1 ILE 41 11.607 18.354 -1.701 275 HG13 ILE 41 2HG1 ILE 41 10.346 17.280 -2.299 276 HG21 ILE 41 1HG2 ILE 41 12.502 17.195 0.655 277 HG22 ILE 41 2HG2 ILE 41 11.589 15.688 0.723 278 HG23 ILE 41 3HG2 ILE 41 12.262 16.243 -0.810 279 HD11 ILE 41 1HD1 ILE 41 10.236 20.068 -1.903 280 HD12 ILE 41 2HD1 ILE 41 8.960 18.988 -2.468 281 HD13 ILE 41 3HD1 ILE 41 9.131 19.326 -0.745 282 H GLY 42 H GLY 42 9.492 13.926 0.542 283 HA2 GLY 42 1HA GLY 42 10.064 14.159 3.291 284 HA3 GLY 42 2HA GLY 42 8.332 13.942 3.092 285 H GLY 43 H GLY 43 9.086 11.996 4.453 286 HA2 GLY 43 1HA GLY 43 10.007 9.823 2.689 287 HA3 GLY 43 2HA GLY 43 10.111 9.814 4.443 288 H LEU 44 H LEU 44 8.609 8.353 2.004 289 HA LEU 44 HA LEU 44 5.913 8.327 3.061 290 HB2 LEU 44 1HB LEU 44 6.284 8.232 0.652 291 HB3 LEU 44 2HB LEU 44 7.190 6.732 0.842 292 HG LEU 44 HG LEU 44 5.063 5.702 1.735 293 HD11 LEU 44 1HD1 LEU 44 3.075 6.792 1.715 294 HD12 LEU 44 2HD1 LEU 44 3.527 7.829 0.362 295 HD13 LEU 44 3HD1 LEU 44 4.128 8.181 1.982 296 HD21 LEU 44 1HD2 LEU 44 4.013 5.971 -0.740 297 HD22 LEU 44 2HD2 LEU 44 5.367 4.910 -0.350 298 HD23 LEU 44 3HD2 LEU 44 5.667 6.511 -1.029 299 H GLY 45 H GLY 45 5.015 6.789 4.321 300 HA2 GLY 45 1HA GLY 45 6.709 4.467 5.013 301 HA3 GLY 45 2HA GLY 45 5.760 5.340 6.208 302 H ILE 46 H ILE 46 5.756 2.895 3.799 303 HA ILE 46 HA ILE 46 2.852 2.542 4.051 304 HB ILE 46 HB ILE 46 4.784 1.286 2.099 305 HG12 ILE 46 1HG1 ILE 46 2.572 3.257 1.525 306 HG13 ILE 46 2HG1 ILE 46 4.225 3.763 1.857 307 HG21 ILE 46 1HG2 ILE 46 1.942 1.132 1.486 308 HG22 ILE 46 2HG2 ILE 46 3.183 -0.119 1.429 309 HG23 ILE 46 3HG2 ILE 46 2.381 0.259 2.954 310 HD11 ILE 46 1HD1 ILE 46 5.021 2.910 -0.123 311 HD12 ILE 46 2HD1 ILE 46 3.693 1.761 -0.286 312 HD13 ILE 46 3HD1 ILE 46 3.417 3.476 -0.588 313 H THR 47 H THR 47 2.231 1.204 5.605 314 HA THR 47 HA THR 47 3.828 -1.227 6.087 315 HB THR 47 HB THR 47 2.922 -1.100 8.469 316 HG1 THR 47 1HG THR 47 2.389 1.557 7.587 317 HG21 THR 47 1HG2 THR 47 5.186 -0.696 8.374 318 HG22 THR 47 2HG2 THR 47 4.610 0.849 9.001 319 HG23 THR 47 3HG2 THR 47 5.003 0.683 7.290 320 H VAL 48 H VAL 48 2.618 -3.064 6.908 321 HA VAL 48 HA VAL 48 -0.249 -2.978 6.239 322 HB VAL 48 HB VAL 48 1.694 -5.178 5.525 323 HG11 VAL 48 1HG1 VAL 48 -1.063 -5.346 6.103 324 HG12 VAL 48 2HG1 VAL 48 -0.888 -5.504 4.354 325 HG13 VAL 48 3HG1 VAL 48 -0.013 -6.593 5.432 326 HG21 VAL 48 1HG2 VAL 48 1.214 -4.632 3.237 327 HG22 VAL 48 2HG2 VAL 48 0.014 -3.436 3.726 328 HG23 VAL 48 3HG2 VAL 48 1.723 -3.162 4.067 329 H GLU 49 H GLU 49 -1.598 -3.990 7.630 330 HA GLU 49 HA GLU 49 -0.374 -5.532 9.823 331 HB2 GLU 49 1HB GLU 49 -2.357 -3.306 9.890 332 HB3 GLU 49 2HB GLU 49 -2.521 -4.595 11.074 333 HG2 GLU 49 1HG GLU 49 -0.241 -2.689 10.695 334 HG3 GLU 49 2HG GLU 49 -1.244 -2.938 12.123 335 H GLY 50 H GLY 50 -1.761 -7.130 10.824 336 HA2 GLY 50 1HA GLY 50 -4.295 -7.881 10.070 337 HA3 GLY 50 2HA GLY 50 -3.237 -8.616 8.874 338 HA PRO 51 HA PRO 51 -3.665 -11.563 12.422 339 HB2 PRO 51 1HB PRO 51 -4.078 -13.746 10.861 340 HB3 PRO 51 2HB PRO 51 -5.385 -12.675 11.380 341 HG2 PRO 51 1HG PRO 51 -3.926 -12.754 8.768 342 HG3 PRO 51 2HG PRO 51 -5.662 -12.564 9.074 343 HD2 PRO 51 1HD PRO 51 -4.048 -10.470 8.491 344 HD3 PRO 51 2HD PRO 51 -5.459 -10.320 9.558 345 H SER 52 H SER 52 -1.511 -10.912 9.978 346 HA SER 52 HA SER 52 0.578 -12.425 11.230 347 HB2 SER 52 1HB SER 52 1.184 -13.838 9.384 348 HB3 SER 52 2HB SER 52 -0.525 -14.117 9.722 349 HG SER 52 HG SER 52 -0.656 -12.263 8.014 350 H GLU 53 H GLU 53 2.668 -11.810 10.526 351 HA GLU 53 HA GLU 53 2.802 -9.126 9.553 352 HB2 GLU 53 1HB GLU 53 4.352 -10.019 11.264 353 HB3 GLU 53 2HB GLU 53 5.041 -11.094 10.055 354 HG2 GLU 53 1HG GLU 53 5.841 -9.209 8.778 355 HG3 GLU 53 2HG GLU 53 5.066 -8.089 9.897 356 H SER 54 H SER 54 3.221 -8.389 7.560 357 HA SER 54 HA SER 54 3.667 -10.383 5.448 358 HB2 SER 54 1HB SER 54 2.611 -7.556 5.202 359 HB3 SER 54 2HB SER 54 2.723 -8.742 3.902 360 HG SER 54 HG SER 54 0.972 -8.651 6.090 361 H LYS 55 H LYS 55 5.325 -10.184 3.996 362 HA LYS 55 HA LYS 55 7.574 -8.594 4.836 363 HB2 LYS 55 1HB LYS 55 7.093 -10.708 2.784 364 HB3 LYS 55 2HB LYS 55 8.491 -9.658 2.589 365 HG2 LYS 55 1HG LYS 55 9.339 -10.323 4.752 366 HG3 LYS 55 2HG LYS 55 7.899 -11.303 5.041 367 HD2 LYS 55 1HD LYS 55 9.461 -12.869 4.326 368 HD3 LYS 55 2HD LYS 55 8.564 -12.505 2.850 369 HE2 LYS 55 1HE LYS 55 10.380 -10.749 2.414 370 HE3 LYS 55 2HE LYS 55 11.304 -11.584 3.662 371 HZ1 LYS 55 1HZ LYS 55 11.445 -13.500 2.385 372 HZ2 LYS 55 2HZ LYS 55 11.653 -12.270 1.242 373 HZ3 LYS 55 3HZ LYS 55 10.162 -13.059 1.373 374 H ILE 56 H ILE 56 7.201 -6.450 4.472 375 HA ILE 56 HA ILE 56 6.241 -5.558 1.878 376 HB ILE 56 HB ILE 56 6.881 -4.125 4.442 377 HG12 ILE 56 1HG1 ILE 56 4.336 -4.047 2.839 378 HG13 ILE 56 2HG1 ILE 56 4.667 -5.364 3.959 379 HG21 ILE 56 1HG2 ILE 56 6.223 -2.892 1.772 380 HG22 ILE 56 2HG2 ILE 56 6.210 -2.031 3.310 381 HG23 ILE 56 3HG2 ILE 56 7.718 -2.700 2.687 382 HD11 ILE 56 1HD1 ILE 56 3.491 -3.980 5.319 383 HD12 ILE 56 2HD1 ILE 56 5.115 -3.361 5.616 384 HD13 ILE 56 3HD1 ILE 56 4.041 -2.520 4.498 385 H ASN 57 H ASN 57 7.399 -4.237 0.461 386 HA ASN 57 HA ASN 57 10.200 -3.690 0.993 387 HB2 ASN 57 1HB ASN 57 9.283 -5.551 -1.202 388 HB3 ASN 57 2HB ASN 57 10.857 -4.761 -1.213 389 HD21 ASN 57 1HD2 ASN 57 9.129 -7.440 -0.227 390 HD22 ASN 57 2HD2 ASN 57 10.280 -8.106 0.875 391 H CYS 58 H CYS 58 10.363 -1.611 0.495 392 HA CYS 58 HA CYS 58 8.734 -0.503 -1.662 393 HB2 CYS 58 1HB CYS 58 10.175 0.640 0.691 394 HB3 CYS 58 2HB CYS 58 9.887 1.677 -0.701 395 HG CYS 58 HG CYS 58 7.841 2.374 0.884 396 H ARG 59 H ARG 59 9.578 0.535 -3.445 397 HA ARG 59 HA ARG 59 12.468 0.154 -3.885 398 HB2 ARG 59 1HB ARG 59 10.630 -1.141 -5.278 399 HB3 ARG 59 2HB ARG 59 10.558 0.372 -6.170 400 HG2 ARG 59 1HG ARG 59 12.815 0.201 -6.837 401 HG3 ARG 59 2HG ARG 59 13.130 -1.101 -5.688 402 HD2 ARG 59 1HD ARG 59 12.090 -2.681 -6.984 403 HD3 ARG 59 2HD ARG 59 11.025 -1.504 -7.751 404 HE ARG 59 HE ARG 59 13.590 -0.905 -8.591 405 HH11 ARG 59 1HH1 ARG 59 11.382 -3.587 -8.809 406 HH12 ARG 59 2HH1 ARG 59 12.003 -4.144 -10.328 407 HH21 ARG 59 1HH2 ARG 59 14.417 -1.628 -10.590 408 HH22 ARG 59 2HH2 ARG 59 13.730 -3.029 -11.339 409 H ASP 60 H ASP 60 13.499 1.709 -5.323 410 HA ASP 60 HA ASP 60 12.299 4.379 -5.033 411 HB2 ASP 60 1HB ASP 60 14.415 4.161 -3.867 412 HB3 ASP 60 2HB ASP 60 15.193 3.550 -5.324 413 H ASN 61 H ASN 61 11.463 5.215 -6.816 414 HA ASN 61 HA ASN 61 12.500 4.332 -9.420 415 HB2 ASN 61 1HB ASN 61 9.882 5.721 -8.810 416 HB3 ASN 61 2HB ASN 61 10.371 5.039 -10.358 417 HD21 ASN 61 1HD2 ASN 61 8.525 4.518 -7.723 418 HD22 ASN 61 2HD2 ASN 61 8.426 2.793 -7.762 419 H LYS 62 H LYS 62 13.757 5.680 -10.507 420 HA LYS 62 HA LYS 62 13.970 8.456 -9.692 421 HB2 LYS 62 1HB LYS 62 15.919 6.871 -10.300 422 HB3 LYS 62 2HB LYS 62 15.469 7.188 -11.970 423 HG2 LYS 62 1HG LYS 62 15.992 9.475 -11.786 424 HG3 LYS 62 2HG LYS 62 16.073 9.393 -10.025 425 HD2 LYS 62 1HD LYS 62 18.117 8.260 -10.055 426 HD3 LYS 62 2HD LYS 62 17.926 7.774 -11.741 427 HE2 LYS 62 1HE LYS 62 18.130 10.667 -10.987 428 HE3 LYS 62 2HE LYS 62 19.578 9.677 -11.162 429 HZ1 LYS 62 1HZ LYS 62 18.550 9.065 -13.424 430 HZ2 LYS 62 2HZ LYS 62 19.300 10.571 -13.255 431 HZ3 LYS 62 3HZ LYS 62 17.613 10.458 -13.214 432 H ASP 63 H ASP 63 11.497 7.678 -10.918 433 HA ASP 63 HA ASP 63 11.628 9.219 -13.427 434 HB2 ASP 63 1HB ASP 63 10.876 7.080 -14.042 435 HB3 ASP 63 2HB ASP 63 9.878 6.917 -12.599 436 H GLY 64 H GLY 64 9.341 8.412 -10.803 437 HA2 GLY 64 1HA GLY 64 8.829 10.839 -9.752 438 HA3 GLY 64 2HA GLY 64 7.895 10.885 -11.241 439 H SER 65 H SER 65 8.487 8.310 -8.852 440 HA SER 65 HA SER 65 5.889 8.396 -7.740 441 HB2 SER 65 1HB SER 65 5.104 6.185 -8.707 442 HB3 SER 65 2HB SER 65 5.071 7.554 -9.819 443 HG SER 65 HG SER 65 6.424 6.526 -11.040 444 H CYS 66 H CYS 66 5.426 6.127 -6.640 445 HA CYS 66 HA CYS 66 7.967 5.021 -5.660 446 HB2 CYS 66 1HB CYS 66 6.882 6.743 -4.097 447 HB3 CYS 66 2HB CYS 66 5.626 5.539 -3.836 448 HG CYS 66 HG CYS 66 7.931 5.829 -1.892 449 H SER 67 H SER 67 8.001 2.853 -5.310 450 HA SER 67 HA SER 67 5.518 1.393 -5.928 451 HB2 SER 67 1HB SER 67 8.380 0.904 -6.631 452 HB3 SER 67 2HB SER 67 7.325 -0.491 -6.405 453 HG SER 67 HG SER 67 7.550 0.798 -8.580 454 H ALA 68 H ALA 68 4.767 -0.103 -4.533 455 HA ALA 68 HA ALA 68 6.462 -0.882 -2.264 456 HB1 ALA 68 1HB ALA 68 5.246 0.611 -1.071 457 HB2 ALA 68 2HB ALA 68 3.875 0.550 -2.180 458 HB3 ALA 68 3HB ALA 68 4.113 -0.740 -1.001 459 H GLU 69 H GLU 69 6.518 -3.013 -2.011 460 HA GLU 69 HA GLU 69 4.253 -4.605 -3.024 461 HB2 GLU 69 1HB GLU 69 5.711 -6.251 -3.852 462 HB3 GLU 69 2HB GLU 69 6.443 -4.729 -4.339 463 HG2 GLU 69 1HG GLU 69 8.116 -4.884 -2.695 464 HG3 GLU 69 2HG GLU 69 7.265 -6.170 -1.841 465 H TYR 70 H TYR 70 3.494 -6.244 -1.759 466 HA TYR 70 HA TYR 70 4.905 -6.862 0.731 467 HB2 TYR 70 1HB TYR 70 2.963 -6.530 2.095 468 HB3 TYR 70 2HB TYR 70 3.207 -5.059 1.160 469 HD1 TYR 70 1HD TYR 70 1.677 -4.472 -0.661 470 HD2 TYR 70 2HD TYR 70 1.033 -7.931 1.733 471 HE1 TYR 70 1HE TYR 70 -0.633 -4.611 -1.494 472 HE2 TYR 70 2HE TYR 70 -1.278 -8.080 0.906 473 HH TYR 70 HH TYR 70 -2.907 -5.718 -0.435 474 H ILE 71 H ILE 71 4.282 -8.860 1.701 475 HA ILE 71 HA ILE 71 2.558 -10.606 0.110 476 HB ILE 71 HB ILE 71 5.411 -11.277 0.836 477 HG12 ILE 71 1HG1 ILE 71 4.120 -11.309 -1.888 478 HG13 ILE 71 2HG1 ILE 71 4.902 -9.871 -1.241 479 HG21 ILE 71 1HG2 ILE 71 4.476 -13.341 -0.701 480 HG22 ILE 71 2HG2 ILE 71 4.651 -13.368 1.053 481 HG23 ILE 71 3HG2 ILE 71 3.092 -12.974 0.328 482 HD11 ILE 71 1HD1 ILE 71 6.944 -10.660 -1.660 483 HD12 ILE 71 2HD1 ILE 71 6.542 -12.280 -1.089 484 HD13 ILE 71 3HD1 ILE 71 6.118 -11.793 -2.730 485 HA PRO 72 HA PRO 72 1.456 -11.292 4.432 486 HB2 PRO 72 1HB PRO 72 -0.926 -12.463 3.862 487 HB3 PRO 72 2HB PRO 72 -0.693 -10.711 3.863 488 HG2 PRO 72 1HG PRO 72 -0.736 -12.616 1.554 489 HG3 PRO 72 2HG PRO 72 -1.484 -11.014 1.697 490 HD2 PRO 72 1HD PRO 72 0.848 -11.421 0.381 491 HD3 PRO 72 2HD PRO 72 0.491 -9.913 1.248 492 H PHE 73 H PHE 73 0.821 -13.254 5.653 493 HA PHE 73 HA PHE 73 1.846 -15.698 4.364 494 HB2 PHE 73 1HB PHE 73 2.189 -14.721 7.199 495 HB3 PHE 73 2HB PHE 73 2.536 -16.376 6.709 496 HD1 PHE 73 1HD PHE 73 3.326 -12.906 5.577 497 HD2 PHE 73 2HD PHE 73 4.720 -16.872 6.245 498 HE1 PHE 73 1HE PHE 73 5.589 -12.223 4.892 499 HE2 PHE 73 2HE PHE 73 6.985 -16.195 5.562 500 HZ PHE 73 HZ PHE 73 7.422 -13.868 4.885 501 H ALA 74 H ALA 74 -0.748 -14.208 5.973 502 HA ALA 74 HA ALA 74 -2.202 -16.748 6.004 503 HB1 ALA 74 1HB ALA 74 -1.368 -16.373 8.295 504 HB2 ALA 74 2HB ALA 74 -2.231 -14.835 8.334 505 HB3 ALA 74 3HB ALA 74 -3.129 -16.347 8.198 506 HA PRO 75 HA PRO 75 -5.333 -14.320 4.083 507 HB2 PRO 75 1HB PRO 75 -7.474 -15.915 4.576 508 HB3 PRO 75 2HB PRO 75 -6.234 -16.313 3.380 509 HG2 PRO 75 1HG PRO 75 -6.550 -17.310 6.185 510 HG3 PRO 75 2HG PRO 75 -6.133 -18.213 4.717 511 HD2 PRO 75 1HD PRO 75 -4.274 -17.436 6.526 512 HD3 PRO 75 2HD PRO 75 -3.924 -17.558 4.790 513 H GLY 76 H GLY 76 -6.940 -12.848 4.580 514 HA2 GLY 76 1HA GLY 76 -8.729 -12.645 6.549 515 HA3 GLY 76 2HA GLY 76 -7.249 -12.259 7.413 516 H ASP 77 H ASP 77 -8.710 -10.265 7.686 517 HA ASP 77 HA ASP 77 -8.665 -8.461 5.408 518 HB2 ASP 77 1HB ASP 77 -9.883 -6.914 6.890 519 HB3 ASP 77 2HB ASP 77 -10.658 -8.494 6.821 520 H TYR 78 H TYR 78 -6.939 -7.272 4.979 521 HA TYR 78 HA TYR 78 -5.144 -6.533 7.191 522 HB2 TYR 78 1HB TYR 78 -4.646 -6.970 4.253 523 HB3 TYR 78 2HB TYR 78 -3.493 -6.116 5.272 524 HD1 TYR 78 1HD TYR 78 -5.413 -9.322 5.192 525 HD2 TYR 78 2HD TYR 78 -1.813 -7.337 6.287 526 HE1 TYR 78 1HE TYR 78 -4.446 -11.473 5.887 527 HE2 TYR 78 2HE TYR 78 -0.835 -9.483 6.984 528 HH TYR 78 HH TYR 78 -1.595 -12.219 6.120 529 H ASP 79 H ASP 79 -4.149 -4.418 7.120 530 HA ASP 79 HA ASP 79 -5.716 -2.419 5.634 531 HB2 ASP 79 1HB ASP 79 -5.170 -2.598 8.554 532 HB3 ASP 79 2HB ASP 79 -5.135 -0.997 7.820 533 H VAL 80 H VAL 80 -4.360 -1.553 4.209 534 HA VAL 80 HA VAL 80 -1.523 -1.396 4.708 535 HB VAL 80 HB VAL 80 -3.081 -0.259 2.384 536 HG11 VAL 80 1HG1 VAL 80 -0.200 -0.531 3.033 537 HG12 VAL 80 2HG1 VAL 80 -0.692 -0.806 1.361 538 HG13 VAL 80 3HG1 VAL 80 -1.047 0.734 2.145 539 HG21 VAL 80 1HG2 VAL 80 -1.813 -2.505 1.468 540 HG22 VAL 80 2HG2 VAL 80 -2.348 -3.003 3.073 541 HG23 VAL 80 3HG2 VAL 80 -3.520 -2.402 1.899 542 H ASN 81 H ASN 81 -0.782 0.137 6.027 543 HA ASN 81 HA ASN 81 -2.116 2.716 6.194 544 HB2 ASN 81 1HB ASN 81 0.139 1.454 7.756 545 HB3 ASN 81 2HB ASN 81 -0.363 3.125 7.995 546 HD21 ASN 81 1HD2 ASN 81 -1.436 -0.216 8.134 547 HD22 ASN 81 2HD2 ASN 81 -2.690 0.041 9.294 548 H ILE 82 H ILE 82 -1.589 4.252 4.796 549 HA ILE 82 HA ILE 82 1.220 4.454 3.923 550 HB ILE 82 HB ILE 82 -1.224 5.321 2.374 551 HG12 ILE 82 1HG1 ILE 82 0.627 2.977 1.887 552 HG13 ILE 82 2HG1 ILE 82 -0.995 2.854 2.561 553 HG21 ILE 82 1HG2 ILE 82 1.700 5.267 1.641 554 HG22 ILE 82 2HG2 ILE 82 0.383 5.621 0.524 555 HG23 ILE 82 3HG2 ILE 82 0.699 6.698 1.883 556 HD11 ILE 82 1HD1 ILE 82 -1.534 2.435 0.422 557 HD12 ILE 82 2HD1 ILE 82 -1.534 4.195 0.300 558 HD13 ILE 82 3HD1 ILE 82 -0.120 3.275 -0.214 559 H THR 83 H THR 83 2.228 6.174 4.698 560 HA THR 83 HA THR 83 0.709 8.668 5.060 561 HB THR 83 HB THR 83 2.261 9.098 7.061 562 HG1 THR 83 1HG THR 83 3.611 7.527 7.464 563 HG21 THR 83 1HG2 THR 83 0.180 8.856 7.889 564 HG22 THR 83 2HG2 THR 83 0.746 7.261 8.386 565 HG23 THR 83 3HG2 THR 83 -0.161 7.448 6.885 566 H TYR 84 H TYR 84 1.819 10.570 4.650 567 HA TYR 84 HA TYR 84 4.424 10.224 3.323 568 HB2 TYR 84 1HB TYR 84 2.280 11.130 2.096 569 HB3 TYR 84 2HB TYR 84 2.708 12.639 2.895 570 HD1 TYR 84 1HD TYR 84 4.654 9.952 1.160 571 HD2 TYR 84 2HD TYR 84 3.756 14.100 1.459 572 HE1 TYR 84 1HE TYR 84 6.281 10.427 -0.622 573 HE2 TYR 84 2HE TYR 84 5.379 14.586 -0.323 574 HH TYR 84 HH TYR 84 7.529 13.375 -1.233 575 H GLY 85 H GLY 85 5.993 10.727 4.724 576 HA2 GLY 85 1HA GLY 85 7.355 12.145 5.945 577 HA3 GLY 85 2HA GLY 85 6.157 13.414 5.737 578 H GLY 86 H GLY 86 4.102 13.089 7.049 579 HA2 GLY 86 1HA GLY 86 4.411 11.562 9.490 580 HA3 GLY 86 2HA GLY 86 4.511 13.303 9.704 581 H ALA 87 H ALA 87 2.483 12.121 7.185 582 HA ALA 87 HA ALA 87 0.104 12.378 8.889 583 HB1 ALA 87 1HB ALA 87 0.863 14.416 7.281 584 HB2 ALA 87 2HB ALA 87 -0.177 13.502 6.187 585 HB3 ALA 87 3HB ALA 87 -0.809 14.076 7.730 586 H HIS 88 H HIS 88 -1.866 11.505 7.857 587 HA HIS 88 HA HIS 88 -1.196 9.112 6.306 588 HB2 HIS 88 1HB HIS 88 -3.437 9.850 8.148 589 HB3 HIS 88 2HB HIS 88 -3.695 8.594 6.942 590 HD1 HIS 88 1HD HIS 88 -2.875 6.305 7.510 591 HD2 HIS 88 2HD HIS 88 -1.275 9.220 10.000 592 HE1 HIS 88 1HE HIS 88 -1.622 5.051 9.294 593 HE2 HIS 88 2HE HIS 88 -0.734 6.833 10.837 594 H ILE 89 H ILE 89 -1.847 8.821 4.263 595 HA ILE 89 HA ILE 89 -2.973 10.995 2.809 596 HB ILE 89 HB ILE 89 -2.863 9.566 0.864 597 HG12 ILE 89 1HG1 ILE 89 -2.067 7.289 2.681 598 HG13 ILE 89 2HG1 ILE 89 -3.715 7.520 2.105 599 HG21 ILE 89 1HG2 ILE 89 -0.560 9.344 0.743 600 HG22 ILE 89 2HG2 ILE 89 -0.764 10.521 2.039 601 HG23 ILE 89 3HG2 ILE 89 -0.418 8.835 2.425 602 HD11 ILE 89 1HD1 ILE 89 -2.532 5.884 0.761 603 HD12 ILE 89 2HD1 ILE 89 -2.935 7.309 -0.197 604 HD13 ILE 89 3HD1 ILE 89 -1.287 7.075 0.384 605 HA PRO 90 HA PRO 90 -7.279 10.165 3.079 606 HB2 PRO 90 1HB PRO 90 -8.113 11.082 0.664 607 HB3 PRO 90 2HB PRO 90 -7.598 12.153 1.972 608 HG2 PRO 90 1HG PRO 90 -6.066 11.216 -0.423 609 HG3 PRO 90 2HG PRO 90 -6.143 12.837 0.292 610 HD2 PRO 90 1HD PRO 90 -4.070 11.151 0.728 611 HD3 PRO 90 2HD PRO 90 -4.624 12.318 1.945 612 H GLY 91 H GLY 91 -7.145 7.850 3.109 613 HA2 GLY 91 1HA GLY 91 -8.709 6.431 1.459 614 HA3 GLY 91 2HA GLY 91 -7.189 6.430 0.576 615 H SER 92 H SER 92 -5.872 6.516 3.373 616 HA SER 92 HA SER 92 -5.920 3.601 3.732 617 HB2 SER 92 1HB SER 92 -3.697 4.049 3.428 618 HB3 SER 92 2HB SER 92 -3.836 5.698 4.040 619 HG SER 92 HG SER 92 -3.529 5.004 6.037 620 HA PRO 93 HA PRO 93 -4.765 2.323 5.363 621 HB2 PRO 93 1HB PRO 93 -6.075 0.315 6.637 622 HB3 PRO 93 2HB PRO 93 -4.834 1.301 7.420 623 HG2 PRO 93 1HG PRO 93 -7.815 1.529 7.579 624 HG3 PRO 93 2HG PRO 93 -6.612 1.655 8.876 625 HD2 PRO 93 1HD PRO 93 -7.754 3.827 7.731 626 HD3 PRO 93 2HD PRO 93 -6.090 3.838 8.350 627 H PHE 94 H PHE 94 -5.098 0.925 3.678 628 HA PHE 94 HA PHE 94 -7.750 1.006 2.451 629 HB2 PHE 94 1HB PHE 94 -5.038 0.229 1.368 630 HB3 PHE 94 2HB PHE 94 -6.532 0.076 0.448 631 HD1 PHE 94 2HD PHE 94 -4.338 2.517 2.161 632 HD2 PHE 94 1HD PHE 94 -7.432 1.905 -0.696 633 HE1 PHE 94 2HE PHE 94 -4.119 4.855 1.428 634 HE2 PHE 94 1HE PHE 94 -7.218 4.242 -1.435 635 HZ PHE 94 HZ PHE 94 -5.560 5.721 -0.371 636 H ARG 95 H ARG 95 -9.046 -0.582 3.129 637 HA ARG 95 HA ARG 95 -8.193 -3.066 4.135 638 HB2 ARG 95 1HB ARG 95 -10.350 -2.258 4.761 639 HB3 ARG 95 2HB ARG 95 -10.858 -2.124 3.083 640 HG2 ARG 95 1HG ARG 95 -11.936 -4.036 3.783 641 HG3 ARG 95 2HG ARG 95 -10.484 -4.682 3.016 642 HD2 ARG 95 1HD ARG 95 -10.877 -5.810 5.121 643 HD3 ARG 95 2HD ARG 95 -9.412 -4.834 5.226 644 HE ARG 95 HE ARG 95 -10.432 -3.521 6.810 645 HH11 ARG 95 1HH1 ARG 95 -12.807 -5.546 5.269 646 HH12 ARG 95 2HH1 ARG 95 -14.065 -5.149 6.392 647 HH21 ARG 95 1HH2 ARG 95 -12.079 -2.990 8.295 648 HH22 ARG 95 2HH2 ARG 95 -13.650 -3.694 8.112 649 H VAL 96 H VAL 96 -7.726 -4.960 3.190 650 HA VAL 96 HA VAL 96 -8.457 -5.382 0.383 651 HB VAL 96 HB VAL 96 -5.660 -5.794 1.451 652 HG11 VAL 96 1HG1 VAL 96 -5.857 -7.451 -0.127 653 HG12 VAL 96 2HG1 VAL 96 -7.021 -6.543 -1.094 654 HG13 VAL 96 3HG1 VAL 96 -5.313 -6.105 -1.128 655 HG21 VAL 96 1HG2 VAL 96 -5.806 -4.055 -0.809 656 HG22 VAL 96 2HG2 VAL 96 -6.898 -3.465 0.444 657 HG23 VAL 96 3HG2 VAL 96 -5.192 -3.719 0.810 658 HA PRO 97 HA PRO 97 -9.594 -9.253 2.297 659 HB2 PRO 97 1HB PRO 97 -10.688 -10.337 0.061 660 HB3 PRO 97 2HB PRO 97 -11.520 -9.131 1.050 661 HG2 PRO 97 1HG PRO 97 -10.000 -8.765 -1.503 662 HG3 PRO 97 2HG PRO 97 -11.548 -8.054 -1.011 663 HD2 PRO 97 1HD PRO 97 -9.212 -6.691 -0.880 664 HD3 PRO 97 2HD PRO 97 -10.538 -6.428 0.272 665 H VAL 98 H VAL 98 -7.679 -10.297 2.704 666 HA VAL 98 HA VAL 98 -6.063 -11.314 0.519 667 HB VAL 98 HB VAL 98 -5.735 -11.564 3.511 668 HG11 VAL 98 1HG1 VAL 98 -3.577 -12.517 3.110 669 HG12 VAL 98 2HG1 VAL 98 -4.767 -13.468 2.219 670 HG13 VAL 98 3HG1 VAL 98 -3.750 -12.304 1.368 671 HG21 VAL 98 1HG2 VAL 98 -3.626 -10.125 2.645 672 HG22 VAL 98 2HG2 VAL 98 -4.852 -9.613 1.486 673 HG23 VAL 98 3HG2 VAL 98 -5.133 -9.408 3.215 674 H LYS 99 H LYS 99 -6.745 -13.092 -0.482 675 HA LYS 99 HA LYS 99 -8.044 -15.207 1.090 676 HB2 LYS 99 1HB LYS 99 -7.928 -15.050 -1.917 677 HB3 LYS 99 2HB LYS 99 -9.037 -15.982 -0.919 678 HG2 LYS 99 1HG LYS 99 -10.360 -14.176 -0.453 679 HG3 LYS 99 2HG LYS 99 -9.044 -13.018 -0.668 680 HD2 LYS 99 1HD LYS 99 -9.297 -12.947 -2.944 681 HD3 LYS 99 2HD LYS 99 -9.947 -14.586 -3.031 682 HE2 LYS 99 1HE LYS 99 -11.854 -13.400 -3.431 683 HE3 LYS 99 2HE LYS 99 -11.929 -13.487 -1.672 684 HZ1 LYS 99 1HZ LYS 99 -12.347 -11.259 -2.258 685 HZ2 LYS 99 2HZ LYS 99 -11.046 -11.202 -3.336 686 HZ3 LYS 99 3HZ LYS 99 -10.761 -11.283 -1.671 687 H ASP 100 H ASP 100 -7.568 -17.475 0.310 688 HA ASP 100 HA ASP 100 -4.663 -17.753 -0.026 689 HB2 ASP 100 1HB ASP 100 -5.285 -20.193 0.734 690 HB3 ASP 100 2HB ASP 100 -5.160 -18.896 1.919 691 H VAL 101 H VAL 101 -3.831 -18.676 -1.793 692 HA VAL 101 HA VAL 101 -5.407 -19.181 -4.067 693 HB VAL 101 HB VAL 101 -2.586 -20.133 -3.553 694 HG11 VAL 101 1HG1 VAL 101 -4.293 -20.697 -5.666 695 HG12 VAL 101 2HG1 VAL 101 -3.266 -19.395 -6.268 696 HG13 VAL 101 3HG1 VAL 101 -2.540 -20.879 -5.650 697 HG21 VAL 101 1HG2 VAL 101 -3.309 -17.637 -5.038 698 HG22 VAL 101 2HG2 VAL 101 -3.144 -17.620 -3.283 699 HG23 VAL 101 3HG2 VAL 101 -1.776 -18.087 -4.293 700 H VAL 102 H VAL 102 -3.736 -21.415 -1.859 701 HA VAL 102 HA VAL 102 -5.648 -23.500 -2.635 702 HB VAL 102 HB VAL 102 -3.726 -25.166 -2.499 703 HG11 VAL 102 1HG1 VAL 102 -3.924 -23.190 -4.764 704 HG12 VAL 102 2HG1 VAL 102 -3.026 -24.706 -4.861 705 HG13 VAL 102 3HG1 VAL 102 -4.770 -24.728 -4.598 706 HG21 VAL 102 1HG2 VAL 102 -1.656 -24.462 -2.108 707 HG22 VAL 102 2HG2 VAL 102 -1.740 -23.339 -3.465 708 HG23 VAL 102 3HG2 VAL 102 -2.290 -22.834 -1.867 709 H ASP 103 H ASP 103 -5.840 -25.230 -1.077 710 HA ASP 103 HA ASP 103 -5.201 -24.315 1.643 711 HB2 ASP 103 1HB ASP 103 -6.997 -26.215 2.129 712 HB3 ASP 103 2HB ASP 103 -7.478 -24.578 1.690 713 HA PRO 104 HA PRO 104 -2.469 -27.671 2.371 714 HB2 PRO 104 1HB PRO 104 -2.922 -28.158 5.003 715 HB3 PRO 104 2HB PRO 104 -2.054 -26.730 4.426 716 HG2 PRO 104 1HG PRO 104 -4.914 -26.995 5.271 717 HG3 PRO 104 2HG PRO 104 -3.752 -25.708 5.642 718 HD2 PRO 104 1HD PRO 104 -5.642 -25.454 3.720 719 HD3 PRO 104 2HD PRO 104 -4.050 -24.678 3.602 720 H SER 105 H SER 105 -2.363 -29.931 3.192 721 HA SER 105 HA SER 105 -4.452 -31.487 2.118 722 HB2 SER 105 1HB SER 105 -2.131 -32.228 3.908 723 HB3 SER 105 2HB SER 105 -3.223 -33.411 3.190 724 HG SER 105 HG SER 105 -1.641 -33.274 1.727 Start of MODEL 19 1 H1 GLY 1 H GLY 1 22.131 18.893 11.969 2 HA2 GLY 1 1HA GLY 1 19.817 19.378 12.036 3 HA3 GLY 1 2HA GLY 1 20.514 20.838 11.350 4 H SER 2 H SER 2 17.973 20.464 10.760 5 HA SER 2 HA SER 2 17.757 19.020 8.236 6 HB2 SER 2 1HB SER 2 15.723 20.405 9.989 7 HB3 SER 2 2HB SER 2 15.325 19.734 8.407 8 HG SER 2 HG SER 2 15.767 17.712 9.149 9 H SER 3 H SER 3 17.270 22.313 9.484 10 HA SER 3 HA SER 3 17.226 24.345 8.459 11 HB2 SER 3 1HB SER 3 19.200 22.821 6.777 12 HB3 SER 3 2HB SER 3 18.781 24.489 6.387 13 HG SER 3 HG SER 3 20.020 23.475 8.713 14 H GLY 4 H GLY 4 15.045 22.720 7.873 15 HA2 GLY 4 1HA GLY 4 14.516 23.391 5.043 16 HA3 GLY 4 2HA GLY 4 13.809 22.006 5.862 17 H SER 5 H SER 5 11.871 23.161 4.864 18 HA SER 5 HA SER 5 10.947 25.456 6.394 19 HB2 SER 5 1HB SER 5 9.876 23.978 3.996 20 HB3 SER 5 2HB SER 5 8.904 25.177 4.850 21 HG SER 5 HG SER 5 10.856 26.572 4.521 22 H SER 6 H SER 6 9.846 22.143 5.700 23 HA SER 6 HA SER 6 8.215 20.873 6.708 24 HB2 SER 6 1HB SER 6 8.689 20.556 9.163 25 HB3 SER 6 2HB SER 6 10.093 20.360 8.115 26 HG SER 6 HG SER 6 10.828 21.687 9.651 27 H GLY 7 H GLY 7 7.237 23.446 6.125 28 HA2 GLY 7 1HA GLY 7 5.903 24.533 8.427 29 HA3 GLY 7 2HA GLY 7 5.647 25.003 6.753 30 H GLY 8 H GLY 8 4.866 22.612 5.619 31 HA2 GLY 8 1HA GLY 8 2.988 21.083 6.967 32 HA3 GLY 8 2HA GLY 8 2.134 22.510 6.399 33 H CYS 9 H CYS 9 3.376 19.447 5.575 34 HA CYS 9 HA CYS 9 3.381 19.837 2.728 35 HB2 CYS 9 1HB CYS 9 3.276 17.180 4.147 36 HB3 CYS 9 2HB CYS 9 3.949 17.541 2.562 37 HG CYS 9 HG CYS 9 5.453 17.472 5.465 38 H GLN 10 H GLN 10 2.029 18.322 1.337 39 HA GLN 10 HA GLN 10 -0.740 18.321 2.344 40 HB2 GLN 10 1HB GLN 10 0.338 18.815 -0.429 41 HB3 GLN 10 2HB GLN 10 -1.360 18.480 -0.115 42 HG2 GLN 10 1HG GLN 10 0.251 20.891 0.518 43 HG3 GLN 10 2HG GLN 10 -1.379 20.758 -0.140 44 HE21 GLN 10 1HE2 GLN 10 -3.107 20.301 1.286 45 HE22 GLN 10 2HE2 GLN 10 -2.985 20.660 2.972 46 HA PRO 11 HA PRO 11 0.206 13.895 1.712 47 HB2 PRO 11 1HB PRO 11 -1.554 13.042 3.595 48 HB3 PRO 11 2HB PRO 11 0.083 13.583 3.985 49 HG2 PRO 11 1HG PRO 11 -2.504 15.078 4.182 50 HG3 PRO 11 2HG PRO 11 -1.152 15.025 5.329 51 HD2 PRO 11 1HD PRO 11 -1.527 17.086 3.613 52 HD3 PRO 11 2HD PRO 11 0.086 16.559 4.133 53 H SER 12 H SER 12 -2.368 15.890 1.034 54 HA SER 12 HA SER 12 -4.292 13.841 0.360 55 HB2 SER 12 1HB SER 12 -5.713 15.658 -0.361 56 HB3 SER 12 2HB SER 12 -4.963 16.115 1.169 57 HG SER 12 HG SER 12 -3.351 17.211 -0.190 58 H ARG 13 H ARG 13 -1.996 15.922 -1.313 59 HA ARG 13 HA ARG 13 -2.806 15.400 -3.945 60 HB2 ARG 13 1HB ARG 13 0.018 15.929 -3.013 61 HB3 ARG 13 2HB ARG 13 -0.638 16.220 -4.618 62 HG2 ARG 13 1HG ARG 13 -1.860 17.587 -2.268 63 HG3 ARG 13 2HG ARG 13 -0.339 18.184 -2.936 64 HD2 ARG 13 1HD ARG 13 -1.301 18.808 -4.925 65 HD3 ARG 13 2HD ARG 13 -2.596 17.619 -4.794 66 HE ARG 13 HE ARG 13 -2.615 20.308 -3.806 67 HH11 ARG 13 1HH1 ARG 13 -3.904 17.106 -3.350 68 HH12 ARG 13 2HH1 ARG 13 -5.346 17.657 -2.563 69 HH21 ARG 13 1HH2 ARG 13 -4.509 21.046 -2.772 70 HH22 ARG 13 2HH2 ARG 13 -5.690 19.899 -2.236 71 H VAL 14 H VAL 14 -1.508 13.312 -1.660 72 HA VAL 14 HA VAL 14 0.009 11.627 -3.418 73 HB VAL 14 HB VAL 14 -1.133 10.787 -0.762 74 HG11 VAL 14 1HG1 VAL 14 0.144 9.261 -2.468 75 HG12 VAL 14 2HG1 VAL 14 1.567 10.065 -1.802 76 HG13 VAL 14 3HG1 VAL 14 0.487 9.159 -0.741 77 HG21 VAL 14 1HG2 VAL 14 0.903 11.683 0.285 78 HG22 VAL 14 2HG2 VAL 14 1.365 12.407 -1.255 79 HG23 VAL 14 3HG2 VAL 14 -0.090 12.956 -0.424 80 H GLN 15 H GLN 15 -0.558 9.616 -4.247 81 HA GLN 15 HA GLN 15 -3.356 8.790 -4.011 82 HB2 GLN 15 1HB GLN 15 -1.933 9.069 -6.662 83 HB3 GLN 15 2HB GLN 15 -3.581 8.506 -6.415 84 HG2 GLN 15 1HG GLN 15 -4.145 10.733 -5.483 85 HG3 GLN 15 2HG GLN 15 -2.520 11.273 -5.901 86 HE21 GLN 15 1HE2 GLN 15 -1.989 10.527 -8.299 87 HE22 GLN 15 2HE2 GLN 15 -3.173 11.027 -9.454 88 H ALA 16 H ALA 16 -3.670 6.617 -4.031 89 HA ALA 16 HA ALA 16 -1.396 4.895 -4.734 90 HB1 ALA 16 1HB ALA 16 -1.295 5.154 -2.335 91 HB2 ALA 16 2HB ALA 16 -2.996 4.711 -2.185 92 HB3 ALA 16 3HB ALA 16 -1.819 3.517 -2.732 93 H GLN 17 H GLN 17 -2.029 3.481 -6.214 94 HA GLN 17 HA GLN 17 -4.634 2.187 -5.950 95 HB2 GLN 17 1HB GLN 17 -5.112 2.510 -8.356 96 HB3 GLN 17 2HB GLN 17 -5.081 4.024 -7.463 97 HG2 GLN 17 1HG GLN 17 -3.869 4.644 -9.272 98 HG3 GLN 17 2HG GLN 17 -2.564 4.029 -8.260 99 HE21 GLN 17 1HE2 GLN 17 -4.693 3.282 -10.942 100 HE22 GLN 17 2HE2 GLN 17 -3.690 2.065 -11.647 101 H GLY 18 H GLY 18 -4.834 0.351 -7.580 102 HA2 GLY 18 1HA GLY 18 -3.320 -1.012 -9.114 103 HA3 GLY 18 2HA GLY 18 -2.213 -0.993 -7.749 104 HA PRO 19 HA PRO 19 -4.963 -4.776 -7.554 105 HB2 PRO 19 1HB PRO 19 -2.938 -6.584 -7.486 106 HB3 PRO 19 2HB PRO 19 -3.649 -5.994 -8.993 107 HG2 PRO 19 1HG PRO 19 -1.128 -5.137 -7.625 108 HG3 PRO 19 2HG PRO 19 -1.421 -5.433 -9.349 109 HD2 PRO 19 1HD PRO 19 -1.371 -2.943 -8.285 110 HD3 PRO 19 2HD PRO 19 -2.405 -3.372 -9.664 111 H GLY 20 H GLY 20 -1.850 -4.153 -5.936 112 HA2 GLY 20 1HA GLY 20 -2.226 -5.712 -3.667 113 HA3 GLY 20 2HA GLY 20 -1.255 -4.248 -3.721 114 H LEU 21 H LEU 21 -3.913 -2.893 -4.594 115 HA LEU 21 HA LEU 21 -4.820 -2.411 -1.844 116 HB2 LEU 21 1HB LEU 21 -5.225 -0.749 -4.326 117 HB3 LEU 21 2HB LEU 21 -5.733 -0.313 -2.696 118 HG LEU 21 HG LEU 21 -2.860 -0.693 -3.533 119 HD11 LEU 21 1HD1 LEU 21 -3.447 1.998 -2.900 120 HD12 LEU 21 2HD1 LEU 21 -4.638 1.461 -4.084 121 HD13 LEU 21 3HD1 LEU 21 -2.917 1.325 -4.442 122 HD21 LEU 21 1HD2 LEU 21 -2.256 -0.012 -1.427 123 HD22 LEU 21 2HD2 LEU 21 -3.720 -0.928 -1.068 124 HD23 LEU 21 3HD2 LEU 21 -3.777 0.834 -1.143 125 H LYS 22 H LYS 22 -5.914 -3.318 -5.048 126 HA LYS 22 HA LYS 22 -8.703 -3.248 -4.419 127 HB2 LYS 22 1HB LYS 22 -7.098 -4.405 -6.686 128 HB3 LYS 22 2HB LYS 22 -8.830 -4.685 -6.557 129 HG2 LYS 22 1HG LYS 22 -9.057 -2.147 -6.432 130 HG3 LYS 22 2HG LYS 22 -7.382 -2.096 -6.987 131 HD2 LYS 22 1HD LYS 22 -7.947 -3.255 -9.005 132 HD3 LYS 22 2HD LYS 22 -9.584 -3.570 -8.425 133 HE2 LYS 22 1HE LYS 22 -8.494 -0.794 -8.820 134 HE3 LYS 22 2HE LYS 22 -9.324 -1.684 -10.096 135 HZ1 LYS 22 1HZ LYS 22 -11.167 -0.802 -9.244 136 HZ2 LYS 22 2HZ LYS 22 -10.408 -0.336 -7.806 137 HZ3 LYS 22 3HZ LYS 22 -11.001 -1.911 -7.977 138 H GLU 23 H GLU 23 -6.383 -5.913 -4.900 139 HA GLU 23 HA GLU 23 -7.578 -7.455 -2.803 140 HB2 GLU 23 1HB GLU 23 -8.395 -9.299 -4.104 141 HB3 GLU 23 2HB GLU 23 -9.162 -7.832 -4.696 142 HG2 GLU 23 1HG GLU 23 -7.238 -7.829 -6.432 143 HG3 GLU 23 2HG GLU 23 -7.075 -9.527 -5.990 144 H ALA 24 H ALA 24 -6.288 -9.168 -2.145 145 HA ALA 24 HA ALA 24 -3.823 -9.637 -3.675 146 HB1 ALA 24 1HB ALA 24 -4.056 -8.831 -0.799 147 HB2 ALA 24 2HB ALA 24 -2.665 -9.746 -1.381 148 HB3 ALA 24 3HB ALA 24 -3.025 -8.160 -2.062 149 H PHE 25 H PHE 25 -2.563 -11.480 -2.278 150 HA PHE 25 HA PHE 25 -4.474 -13.543 -1.476 151 HB2 PHE 25 1HB PHE 25 -2.696 -13.630 -3.860 152 HB3 PHE 25 2HB PHE 25 -2.856 -15.108 -2.917 153 HD1 PHE 25 2HD PHE 25 -4.863 -12.499 -4.639 154 HD2 PHE 25 1HD PHE 25 -4.663 -16.519 -3.257 155 HE1 PHE 25 2HE PHE 25 -6.982 -12.995 -5.786 156 HE2 PHE 25 1HE PHE 25 -6.781 -17.023 -4.402 157 HZ PHE 25 HZ PHE 25 -7.944 -15.259 -5.668 158 H THR 26 H THR 26 -3.256 -15.529 -0.650 159 HA THR 26 HA THR 26 -1.339 -14.615 1.297 160 HB THR 26 HB THR 26 -1.376 -17.000 2.075 161 HG1 THR 26 1HG THR 26 -2.218 -18.442 0.787 162 HG21 THR 26 1HG2 THR 26 -3.828 -15.309 1.850 163 HG22 THR 26 2HG2 THR 26 -2.863 -15.706 3.272 164 HG23 THR 26 3HG2 THR 26 -3.949 -16.910 2.579 165 H ASN 27 H ASN 27 0.806 -14.733 1.162 166 HA ASN 27 HA ASN 27 2.904 -15.226 0.436 167 HB2 ASN 27 1HB ASN 27 1.567 -17.782 -0.476 168 HB3 ASN 27 2HB ASN 27 3.308 -17.517 -0.457 169 HD21 ASN 27 1HD2 ASN 27 0.558 -17.071 1.747 170 HD22 ASN 27 2HD2 ASN 27 1.333 -17.772 3.123 171 H LYS 28 H LYS 28 1.051 -13.772 -1.268 172 HA LYS 28 HA LYS 28 2.261 -14.376 -3.888 173 HB2 LYS 28 1HB LYS 28 -0.537 -13.563 -3.177 174 HB3 LYS 28 2HB LYS 28 0.125 -13.143 -4.752 175 HG2 LYS 28 1HG LYS 28 0.738 -15.720 -4.767 176 HG3 LYS 28 2HG LYS 28 -0.625 -15.789 -3.648 177 HD2 LYS 28 1HD LYS 28 -1.758 -14.280 -5.502 178 HD3 LYS 28 2HD LYS 28 -0.562 -15.067 -6.534 179 HE2 LYS 28 1HE LYS 28 -1.397 -17.236 -5.950 180 HE3 LYS 28 2HE LYS 28 -2.463 -16.550 -4.725 181 HZ1 LYS 28 1HZ LYS 28 -3.795 -15.551 -6.387 182 HZ2 LYS 28 2HZ LYS 28 -3.558 -17.155 -6.868 183 HZ3 LYS 28 3HZ LYS 28 -2.685 -15.911 -7.612 184 HA PRO 29 HA PRO 29 3.953 -10.315 -3.759 185 HB2 PRO 29 1HB PRO 29 4.313 -9.910 -6.419 186 HB3 PRO 29 2HB PRO 29 5.331 -10.996 -5.467 187 HG2 PRO 29 1HG PRO 29 3.017 -11.648 -7.250 188 HG3 PRO 29 2HG PRO 29 4.579 -12.473 -7.098 189 HD2 PRO 29 1HD PRO 29 2.324 -13.395 -5.917 190 HD3 PRO 29 2HD PRO 29 3.934 -13.614 -5.203 191 H ASN 30 H ASN 30 2.578 -8.738 -3.153 192 HA ASN 30 HA ASN 30 0.586 -7.821 -5.122 193 HB2 ASN 30 1HB ASN 30 0.323 -7.185 -2.210 194 HB3 ASN 30 2HB ASN 30 -0.932 -7.360 -3.433 195 HD21 ASN 30 1HD2 ASN 30 0.901 -8.900 -1.010 196 HD22 ASN 30 2HD2 ASN 30 0.217 -10.479 -1.170 197 H VAL 31 H VAL 31 1.245 -6.018 -6.079 198 HA VAL 31 HA VAL 31 2.621 -3.985 -4.446 199 HB VAL 31 HB VAL 31 3.866 -3.274 -6.387 200 HG11 VAL 31 1HG1 VAL 31 4.694 -5.185 -4.987 201 HG12 VAL 31 2HG1 VAL 31 4.078 -6.274 -6.231 202 HG13 VAL 31 3HG1 VAL 31 5.353 -5.119 -6.621 203 HG21 VAL 31 1HG2 VAL 31 3.005 -5.541 -8.076 204 HG22 VAL 31 2HG2 VAL 31 1.859 -4.213 -7.894 205 HG23 VAL 31 3HG2 VAL 31 3.474 -3.902 -8.528 206 H PHE 32 H PHE 32 2.472 -1.755 -5.555 207 HA PHE 32 HA PHE 32 0.107 -1.252 -7.105 208 HB2 PHE 32 1HB PHE 32 -0.829 0.323 -5.308 209 HB3 PHE 32 2HB PHE 32 -1.084 -1.404 -5.079 210 HD1 PHE 32 2HD PHE 32 0.094 -2.617 -3.340 211 HD2 PHE 32 1HD PHE 32 0.643 1.570 -3.869 212 HE1 PHE 32 2HE PHE 32 1.141 -2.478 -1.118 213 HE2 PHE 32 1HE PHE 32 1.692 1.716 -1.648 214 HZ PHE 32 HZ PHE 32 1.941 -0.309 -0.269 215 H THR 33 H THR 33 -0.155 1.057 -7.601 216 HA THR 33 HA THR 33 2.458 2.339 -7.788 217 HB THR 33 HB THR 33 -0.124 3.243 -9.068 218 HG1 THR 33 1HG THR 33 1.910 1.714 -10.327 219 HG21 THR 33 1HG2 THR 33 1.322 5.022 -9.294 220 HG22 THR 33 2HG2 THR 33 1.714 4.096 -10.742 221 HG23 THR 33 3HG2 THR 33 2.753 3.993 -9.321 222 H VAL 34 H VAL 34 2.989 4.246 -6.851 223 HA VAL 34 HA VAL 34 0.907 5.667 -5.333 224 HB VAL 34 HB VAL 34 3.691 5.100 -4.304 225 HG11 VAL 34 1HG1 VAL 34 3.303 6.894 -3.036 226 HG12 VAL 34 2HG1 VAL 34 1.611 6.975 -3.531 227 HG13 VAL 34 3HG1 VAL 34 2.094 5.916 -2.205 228 HG21 VAL 34 1HG2 VAL 34 2.074 3.144 -4.386 229 HG22 VAL 34 2HG2 VAL 34 2.761 3.531 -2.809 230 HG23 VAL 34 3HG2 VAL 34 1.112 4.021 -3.197 231 H VAL 35 H VAL 35 0.744 7.567 -6.341 232 HA VAL 35 HA VAL 35 3.104 8.846 -7.473 233 HB VAL 35 HB VAL 35 0.199 9.675 -7.561 234 HG11 VAL 35 1HG1 VAL 35 1.470 11.648 -7.796 235 HG12 VAL 35 2HG1 VAL 35 2.665 10.849 -8.820 236 HG13 VAL 35 3HG1 VAL 35 1.041 11.159 -9.435 237 HG21 VAL 35 1HG2 VAL 35 1.541 7.647 -8.943 238 HG22 VAL 35 2HG2 VAL 35 -0.048 8.319 -9.307 239 HG23 VAL 35 3HG2 VAL 35 1.389 8.980 -10.087 240 H THR 36 H THR 36 4.250 10.289 -6.385 241 HA THR 36 HA THR 36 2.906 11.938 -4.353 242 HB THR 36 HB THR 36 4.865 11.777 -2.889 243 HG1 THR 36 1HG THR 36 5.813 10.144 -4.992 244 HG21 THR 36 1HG2 THR 36 3.928 10.024 -1.873 245 HG22 THR 36 2HG2 THR 36 4.464 8.927 -3.145 246 HG23 THR 36 3HG2 THR 36 2.942 9.801 -3.318 247 H ARG 37 H ARG 37 3.246 12.896 -6.852 248 HA ARG 37 HA ARG 37 5.707 14.487 -6.832 249 HB2 ARG 37 1HB ARG 37 3.646 14.338 -9.031 250 HB3 ARG 37 2HB ARG 37 5.291 14.949 -9.141 251 HG2 ARG 37 1HG ARG 37 4.830 12.106 -8.369 252 HG3 ARG 37 2HG ARG 37 4.699 12.589 -10.061 253 HD2 ARG 37 1HD ARG 37 6.920 12.020 -9.945 254 HD3 ARG 37 2HD ARG 37 7.000 13.746 -9.593 255 HE ARG 37 HE ARG 37 6.757 12.092 -7.253 256 HH11 ARG 37 1HH1 ARG 37 8.960 13.521 -9.539 257 HH12 ARG 37 2HH1 ARG 37 10.311 13.488 -8.455 258 HH21 ARG 37 1HH2 ARG 37 8.528 12.044 -5.817 259 HH22 ARG 37 2HH2 ARG 37 10.064 12.647 -6.338 260 H GLY 38 H GLY 38 5.302 16.104 -5.368 261 HA2 GLY 38 1HA GLY 38 4.664 18.441 -5.343 262 HA3 GLY 38 2HA GLY 38 3.165 17.985 -6.138 263 H ALA 39 H ALA 39 3.964 15.749 -3.773 264 HA ALA 39 HA ALA 39 1.748 16.466 -2.144 265 HB1 ALA 39 1HB ALA 39 2.187 14.181 -2.216 266 HB2 ALA 39 2HB ALA 39 3.912 14.405 -1.921 267 HB3 ALA 39 3HB ALA 39 2.754 14.659 -0.616 268 H GLY 40 H GLY 40 5.269 16.655 -1.682 269 HA2 GLY 40 1HA GLY 40 5.533 19.002 -0.424 270 HA3 GLY 40 2HA GLY 40 4.929 17.988 0.878 271 H ILE 41 H ILE 41 6.469 17.226 2.148 272 HA ILE 41 HA ILE 41 9.181 16.936 1.072 273 HB ILE 41 HB ILE 41 8.366 16.814 3.972 274 HG12 ILE 41 1HG1 ILE 41 9.481 19.233 2.556 275 HG13 ILE 41 2HG1 ILE 41 7.753 18.984 2.776 276 HG21 ILE 41 1HG2 ILE 41 10.956 16.971 2.492 277 HG22 ILE 41 2HG2 ILE 41 10.830 17.636 4.120 278 HG23 ILE 41 3HG2 ILE 41 10.493 15.928 3.837 279 HD11 ILE 41 1HD1 ILE 41 8.740 20.465 4.468 280 HD12 ILE 41 2HD1 ILE 41 8.015 19.018 5.169 281 HD13 ILE 41 3HD1 ILE 41 9.767 19.135 5.005 282 H GLY 42 H GLY 42 10.481 15.098 2.032 283 HA2 GLY 42 1HA GLY 42 9.321 12.643 1.308 284 HA3 GLY 42 2HA GLY 42 10.835 12.836 2.179 285 H GLY 43 H GLY 43 9.427 10.682 2.827 286 HA2 GLY 43 1HA GLY 43 9.217 10.120 5.270 287 HA3 GLY 43 2HA GLY 43 8.026 11.411 5.324 288 H LEU 44 H LEU 44 8.446 8.966 2.804 289 HA LEU 44 HA LEU 44 5.641 8.291 2.990 290 HB2 LEU 44 1HB LEU 44 6.801 8.543 0.820 291 HB3 LEU 44 2HB LEU 44 7.789 7.139 1.215 292 HG LEU 44 HG LEU 44 5.760 5.741 1.220 293 HD11 LEU 44 1HD1 LEU 44 4.357 8.203 0.196 294 HD12 LEU 44 2HD1 LEU 44 4.176 7.543 1.821 295 HD13 LEU 44 3HD1 LEU 44 3.659 6.600 0.424 296 HD21 LEU 44 1HD2 LEU 44 6.912 5.654 -0.799 297 HD22 LEU 44 2HD2 LEU 44 6.504 7.318 -1.218 298 HD23 LEU 44 3HD2 LEU 44 5.267 6.062 -1.288 299 H GLY 45 H GLY 45 5.011 6.938 4.544 300 HA2 GLY 45 1HA GLY 45 6.716 4.590 5.105 301 HA3 GLY 45 2HA GLY 45 5.720 5.383 6.317 302 H ILE 46 H ILE 46 5.810 3.102 3.733 303 HA ILE 46 HA ILE 46 2.920 2.639 3.944 304 HB ILE 46 HB ILE 46 4.882 1.484 1.960 305 HG12 ILE 46 1HG1 ILE 46 2.757 3.471 1.261 306 HG13 ILE 46 2HG1 ILE 46 4.262 4.045 1.970 307 HG21 ILE 46 1HG2 ILE 46 2.062 1.496 1.252 308 HG22 ILE 46 2HG2 ILE 46 3.243 0.190 1.174 309 HG23 ILE 46 3HG2 ILE 46 2.403 0.529 2.686 310 HD11 ILE 46 1HD1 ILE 46 5.510 3.431 0.142 311 HD12 ILE 46 2HD1 ILE 46 4.342 2.216 -0.381 312 HD13 ILE 46 3HD1 ILE 46 3.993 3.930 -0.605 313 H THR 47 H THR 47 2.367 1.240 5.476 314 HA THR 47 HA THR 47 3.983 -1.207 5.781 315 HB THR 47 HB THR 47 3.141 -1.210 8.192 316 HG1 THR 47 1HG THR 47 1.898 0.404 8.732 317 HG21 THR 47 1HG2 THR 47 5.460 -0.742 7.654 318 HG22 THR 47 2HG2 THR 47 4.921 0.334 8.943 319 HG23 THR 47 3HG2 THR 47 5.064 0.937 7.292 320 H VAL 48 H VAL 48 2.696 -2.993 6.873 321 HA VAL 48 HA VAL 48 -0.129 -2.925 6.055 322 HB VAL 48 HB VAL 48 1.903 -5.054 5.424 323 HG11 VAL 48 1HG1 VAL 48 -1.098 -5.297 5.500 324 HG12 VAL 48 2HG1 VAL 48 -0.052 -6.407 4.613 325 HG13 VAL 48 3HG1 VAL 48 0.090 -6.272 6.366 326 HG21 VAL 48 1HG2 VAL 48 -0.138 -3.641 3.710 327 HG22 VAL 48 2HG2 VAL 48 1.574 -3.228 3.801 328 HG23 VAL 48 3HG2 VAL 48 1.078 -4.793 3.158 329 H GLU 49 H GLU 49 -1.536 -3.793 7.475 330 HA GLU 49 HA GLU 49 -0.431 -5.292 9.757 331 HB2 GLU 49 1HB GLU 49 -2.247 -2.928 9.715 332 HB3 GLU 49 2HB GLU 49 -2.512 -4.151 10.950 333 HG2 GLU 49 1HG GLU 49 0.078 -3.857 11.317 334 HG3 GLU 49 2HG GLU 49 -0.233 -2.285 10.583 335 H GLY 50 H GLY 50 -1.569 -7.052 10.450 336 HA2 GLY 50 1HA GLY 50 -4.280 -7.569 9.853 337 HA3 GLY 50 2HA GLY 50 -3.264 -8.374 8.667 338 HA PRO 51 HA PRO 51 -3.828 -11.266 12.231 339 HB2 PRO 51 1HB PRO 51 -4.270 -13.451 10.681 340 HB3 PRO 51 2HB PRO 51 -5.556 -12.337 11.160 341 HG2 PRO 51 1HG PRO 51 -4.041 -12.485 8.583 342 HG3 PRO 51 2HG PRO 51 -5.777 -12.240 8.847 343 HD2 PRO 51 1HD PRO 51 -4.088 -10.201 8.282 344 HD3 PRO 51 2HD PRO 51 -5.518 -9.998 9.315 345 H SER 52 H SER 52 -1.617 -10.737 9.790 346 HA SER 52 HA SER 52 0.398 -12.301 11.115 347 HB2 SER 52 1HB SER 52 1.028 -13.677 9.211 348 HB3 SER 52 2HB SER 52 -0.659 -13.988 9.623 349 HG SER 52 HG SER 52 -0.109 -12.008 7.731 350 H GLU 53 H GLU 53 2.530 -11.772 10.441 351 HA GLU 53 HA GLU 53 2.782 -9.084 9.503 352 HB2 GLU 53 1HB GLU 53 4.705 -11.206 10.389 353 HB3 GLU 53 2HB GLU 53 5.306 -9.759 9.591 354 HG2 GLU 53 1HG GLU 53 4.757 -8.394 11.333 355 HG3 GLU 53 2HG GLU 53 3.438 -9.430 11.875 356 H SER 54 H SER 54 3.070 -8.383 7.493 357 HA SER 54 HA SER 54 3.542 -10.361 5.382 358 HB2 SER 54 1HB SER 54 2.631 -7.488 5.100 359 HB3 SER 54 2HB SER 54 2.631 -8.726 3.844 360 HG SER 54 HG SER 54 1.034 -8.611 6.180 361 H LYS 55 H LYS 55 5.211 -10.201 3.934 362 HA LYS 55 HA LYS 55 7.522 -8.731 4.811 363 HB2 LYS 55 1HB LYS 55 6.940 -10.778 2.730 364 HB3 LYS 55 2HB LYS 55 8.353 -9.758 2.491 365 HG2 LYS 55 1HG LYS 55 9.304 -10.482 4.567 366 HG3 LYS 55 2HG LYS 55 7.834 -11.367 4.981 367 HD2 LYS 55 1HD LYS 55 9.281 -13.022 4.194 368 HD3 LYS 55 2HD LYS 55 8.251 -12.670 2.805 369 HE2 LYS 55 1HE LYS 55 10.017 -11.114 1.983 370 HE3 LYS 55 2HE LYS 55 11.050 -11.665 3.301 371 HZ1 LYS 55 1HZ LYS 55 10.547 -12.891 0.795 372 HZ2 LYS 55 2HZ LYS 55 10.142 -13.948 2.052 373 HZ3 LYS 55 3HZ LYS 55 11.699 -13.292 1.967 374 H ILE 56 H ILE 56 7.218 -6.560 4.525 375 HA ILE 56 HA ILE 56 6.347 -5.556 1.935 376 HB ILE 56 HB ILE 56 6.913 -4.218 4.569 377 HG12 ILE 56 1HG1 ILE 56 4.421 -4.161 2.869 378 HG13 ILE 56 2HG1 ILE 56 4.716 -5.408 4.076 379 HG21 ILE 56 1HG2 ILE 56 7.717 -2.547 3.229 380 HG22 ILE 56 2HG2 ILE 56 6.723 -3.023 1.853 381 HG23 ILE 56 3HG2 ILE 56 5.997 -2.159 3.208 382 HD11 ILE 56 1HD1 ILE 56 3.735 -2.722 4.404 383 HD12 ILE 56 2HD1 ILE 56 3.743 -4.069 5.543 384 HD13 ILE 56 3HD1 ILE 56 5.151 -3.014 5.414 385 H ASN 57 H ASN 57 7.583 -4.240 0.596 386 HA ASN 57 HA ASN 57 10.358 -3.719 1.268 387 HB2 ASN 57 1HB ASN 57 9.512 -5.626 -0.901 388 HB3 ASN 57 2HB ASN 57 11.033 -4.745 -1.009 389 HD21 ASN 57 1HD2 ASN 57 9.729 -7.584 -0.135 390 HD22 ASN 57 2HD2 ASN 57 10.881 -8.102 1.043 391 H CYS 58 H CYS 58 10.504 -1.621 0.834 392 HA CYS 58 HA CYS 58 8.866 -0.326 -1.121 393 HB2 CYS 58 1HB CYS 58 10.066 1.708 -0.482 394 HB3 CYS 58 2HB CYS 58 9.557 0.813 0.945 395 HG CYS 58 HG CYS 58 12.548 1.840 0.130 396 H ARG 59 H ARG 59 9.481 0.630 -3.061 397 HA ARG 59 HA ARG 59 12.136 -0.105 -4.093 398 HB2 ARG 59 1HB ARG 59 10.256 -1.622 -4.903 399 HB3 ARG 59 2HB ARG 59 9.629 -0.223 -5.763 400 HG2 ARG 59 1HG ARG 59 10.866 -1.358 -7.366 401 HG3 ARG 59 2HG ARG 59 11.954 -0.077 -6.828 402 HD2 ARG 59 1HD ARG 59 13.328 -1.944 -6.843 403 HD3 ARG 59 2HD ARG 59 12.827 -1.841 -5.156 404 HE ARG 59 HE ARG 59 11.016 -3.492 -6.486 405 HH11 ARG 59 1HH1 ARG 59 14.381 -3.463 -5.595 406 HH12 ARG 59 2HH1 ARG 59 14.500 -5.188 -5.480 407 HH21 ARG 59 1HH2 ARG 59 11.159 -5.763 -6.338 408 HH22 ARG 59 2HH2 ARG 59 12.667 -6.495 -5.904 409 H ASP 60 H ASP 60 12.993 1.279 -5.692 410 HA ASP 60 HA ASP 60 11.746 3.944 -5.722 411 HB2 ASP 60 1HB ASP 60 14.622 3.061 -5.915 412 HB3 ASP 60 2HB ASP 60 14.112 4.682 -6.379 413 H ASN 61 H ASN 61 11.082 4.798 -7.589 414 HA ASN 61 HA ASN 61 11.780 3.375 -10.071 415 HB2 ASN 61 1HB ASN 61 9.325 5.015 -9.405 416 HB3 ASN 61 2HB ASN 61 9.657 4.301 -10.980 417 HD21 ASN 61 1HD2 ASN 61 8.197 3.859 -8.015 418 HD22 ASN 61 2HD2 ASN 61 7.908 2.158 -8.114 419 H LYS 62 H LYS 62 12.962 4.419 -11.526 420 HA LYS 62 HA LYS 62 13.610 7.211 -11.114 421 HB2 LYS 62 1HB LYS 62 15.219 5.289 -11.811 422 HB3 LYS 62 2HB LYS 62 14.579 5.559 -13.427 423 HG2 LYS 62 1HG LYS 62 16.457 6.883 -13.428 424 HG3 LYS 62 2HG LYS 62 15.202 8.040 -12.975 425 HD2 LYS 62 1HD LYS 62 15.815 7.903 -10.667 426 HD3 LYS 62 2HD LYS 62 16.913 6.558 -10.984 427 HE2 LYS 62 1HE LYS 62 18.485 7.920 -12.012 428 HE3 LYS 62 2HE LYS 62 17.307 9.184 -12.361 429 HZ1 LYS 62 1HZ LYS 62 18.107 10.194 -10.567 430 HZ2 LYS 62 2HZ LYS 62 18.948 8.821 -10.048 431 HZ3 LYS 62 3HZ LYS 62 17.318 9.017 -9.641 432 H ASP 63 H ASP 63 10.906 6.699 -11.850 433 HA ASP 63 HA ASP 63 10.825 7.933 -14.525 434 HB2 ASP 63 1HB ASP 63 9.803 5.760 -14.644 435 HB3 ASP 63 2HB ASP 63 8.844 6.076 -13.200 436 H GLY 64 H GLY 64 9.087 7.741 -11.420 437 HA2 GLY 64 1HA GLY 64 8.948 10.284 -10.649 438 HA3 GLY 64 2HA GLY 64 7.782 10.289 -11.964 439 H SER 65 H SER 65 8.462 7.812 -9.512 440 HA SER 65 HA SER 65 6.199 8.361 -7.915 441 HB2 SER 65 1HB SER 65 4.826 6.373 -8.551 442 HB3 SER 65 2HB SER 65 4.901 7.601 -9.814 443 HG SER 65 HG SER 65 6.544 6.331 -10.812 444 H CYS 66 H CYS 66 5.607 6.195 -6.638 445 HA CYS 66 HA CYS 66 8.142 4.822 -6.032 446 HB2 CYS 66 1HB CYS 66 7.243 6.631 -4.362 447 HB3 CYS 66 2HB CYS 66 6.114 5.366 -3.893 448 HG CYS 66 HG CYS 66 7.906 3.671 -2.829 449 H SER 67 H SER 67 8.000 2.668 -5.338 450 HA SER 67 HA SER 67 5.372 1.399 -5.754 451 HB2 SER 67 1HB SER 67 8.053 0.707 -6.868 452 HB3 SER 67 2HB SER 67 6.955 -0.614 -6.470 453 HG SER 67 HG SER 67 5.382 0.783 -7.742 454 H ALA 68 H ALA 68 4.726 -0.067 -4.271 455 HA ALA 68 HA ALA 68 6.660 -0.892 -2.211 456 HB1 ALA 68 1HB ALA 68 4.155 0.603 -1.884 457 HB2 ALA 68 2HB ALA 68 4.355 -0.765 -0.788 458 HB3 ALA 68 3HB ALA 68 5.571 0.511 -0.836 459 H GLU 69 H GLU 69 6.833 -3.028 -2.216 460 HA GLU 69 HA GLU 69 4.527 -4.638 -3.069 461 HB2 GLU 69 1HB GLU 69 6.058 -6.363 -3.676 462 HB3 GLU 69 2HB GLU 69 6.696 -4.858 -4.322 463 HG2 GLU 69 1HG GLU 69 8.463 -4.816 -2.870 464 HG3 GLU 69 2HG GLU 69 7.623 -5.771 -1.649 465 H TYR 70 H TYR 70 3.788 -6.349 -1.837 466 HA TYR 70 HA TYR 70 5.052 -6.900 0.728 467 HB2 TYR 70 1HB TYR 70 3.156 -6.401 2.061 468 HB3 TYR 70 2HB TYR 70 3.387 -4.999 1.022 469 HD1 TYR 70 2HD TYR 70 1.347 -8.051 1.505 470 HD2 TYR 70 1HD TYR 70 1.698 -4.306 -0.485 471 HE1 TYR 70 2HE TYR 70 -0.978 -8.252 0.729 472 HE2 TYR 70 1HE TYR 70 -0.627 -4.496 -1.265 473 HH TYR 70 HH TYR 70 -2.736 -5.714 -0.486 474 H ILE 71 H ILE 71 4.349 -8.858 1.702 475 HA ILE 71 HA ILE 71 2.561 -10.548 0.119 476 HB ILE 71 HB ILE 71 5.367 -11.349 0.897 477 HG12 ILE 71 1HG1 ILE 71 4.169 -11.364 -1.864 478 HG13 ILE 71 2HG1 ILE 71 4.919 -9.914 -1.204 479 HG21 ILE 71 1HG2 ILE 71 4.511 -13.404 1.080 480 HG22 ILE 71 2HG2 ILE 71 2.978 -12.923 0.354 481 HG23 ILE 71 3HG2 ILE 71 4.343 -13.355 -0.675 482 HD11 ILE 71 1HD1 ILE 71 6.203 -11.852 -2.616 483 HD12 ILE 71 2HD1 ILE 71 6.980 -10.700 -1.529 484 HD13 ILE 71 3HD1 ILE 71 6.562 -12.313 -0.953 485 HA PRO 72 HA PRO 72 1.328 -11.186 4.394 486 HB2 PRO 72 1HB PRO 72 -0.993 -12.450 3.774 487 HB3 PRO 72 2HB PRO 72 -0.812 -10.693 3.717 488 HG2 PRO 72 1HG PRO 72 -0.704 -12.682 1.482 489 HG3 PRO 72 2HG PRO 72 -1.503 -11.100 1.534 490 HD2 PRO 72 1HD PRO 72 0.891 -11.483 0.329 491 HD3 PRO 72 2HD PRO 72 0.455 -9.956 1.123 492 H PHE 73 H PHE 73 0.648 -13.136 5.642 493 HA PHE 73 HA PHE 73 1.813 -15.588 4.495 494 HB2 PHE 73 1HB PHE 73 2.024 -14.488 7.298 495 HB3 PHE 73 2HB PHE 73 2.415 -16.158 6.899 496 HD1 PHE 73 1HD PHE 73 3.201 -12.722 5.668 497 HD2 PHE 73 2HD PHE 73 4.618 -16.646 6.513 498 HE1 PHE 73 1HE PHE 73 5.477 -12.032 5.039 499 HE2 PHE 73 2HE PHE 73 6.896 -15.962 5.886 500 HZ PHE 73 HZ PHE 73 7.329 -13.652 5.149 501 H ALA 74 H ALA 74 -0.897 -14.117 5.889 502 HA ALA 74 HA ALA 74 -2.285 -16.687 5.960 503 HB1 ALA 74 1HB ALA 74 -1.418 -15.868 8.296 504 HB2 ALA 74 2HB ALA 74 -2.828 -14.811 8.210 505 HB3 ALA 74 3HB ALA 74 -3.031 -16.561 8.124 506 HA PRO 75 HA PRO 75 -5.412 -14.380 3.893 507 HB2 PRO 75 1HB PRO 75 -7.541 -15.991 4.386 508 HB3 PRO 75 2HB PRO 75 -6.265 -16.409 3.236 509 HG2 PRO 75 1HG PRO 75 -6.638 -17.316 6.064 510 HG3 PRO 75 2HG PRO 75 -6.170 -18.261 4.639 511 HD2 PRO 75 1HD PRO 75 -4.370 -17.394 6.466 512 HD3 PRO 75 2HD PRO 75 -3.974 -17.570 4.745 513 H GLY 76 H GLY 76 -6.865 -12.794 4.346 514 HA2 GLY 76 1HA GLY 76 -8.796 -12.544 6.186 515 HA3 GLY 76 2HA GLY 76 -7.362 -12.223 7.151 516 H ASP 77 H ASP 77 -8.869 -10.193 7.278 517 HA ASP 77 HA ASP 77 -8.550 -8.376 5.042 518 HB2 ASP 77 1HB ASP 77 -9.801 -6.783 6.481 519 HB3 ASP 77 2HB ASP 77 -10.647 -8.312 6.258 520 H TYR 78 H TYR 78 -6.940 -6.977 4.798 521 HA TYR 78 HA TYR 78 -5.208 -6.430 7.118 522 HB2 TYR 78 1HB TYR 78 -4.551 -6.717 4.190 523 HB3 TYR 78 2HB TYR 78 -3.446 -5.951 5.327 524 HD1 TYR 78 1HD TYR 78 -5.405 -9.106 4.916 525 HD2 TYR 78 2HD TYR 78 -1.860 -7.265 6.379 526 HE1 TYR 78 1HE TYR 78 -4.518 -11.316 5.532 527 HE2 TYR 78 2HE TYR 78 -0.963 -9.469 6.998 528 HH TYR 78 HH TYR 78 -2.912 -12.342 6.892 529 H ASP 79 H ASP 79 -4.190 -4.322 7.187 530 HA ASP 79 HA ASP 79 -5.755 -2.248 5.797 531 HB2 ASP 79 1HB ASP 79 -4.918 -2.454 8.668 532 HB3 ASP 79 2HB ASP 79 -5.134 -0.868 7.933 533 H VAL 80 H VAL 80 -4.411 -1.539 4.250 534 HA VAL 80 HA VAL 80 -1.573 -1.392 4.590 535 HB VAL 80 HB VAL 80 -3.318 -0.209 2.425 536 HG11 VAL 80 1HG1 VAL 80 -0.387 -0.266 2.867 537 HG12 VAL 80 2HG1 VAL 80 -0.969 -0.529 1.222 538 HG13 VAL 80 3HG1 VAL 80 -1.391 0.952 2.083 539 HG21 VAL 80 1HG2 VAL 80 -3.631 -2.377 1.928 540 HG22 VAL 80 2HG2 VAL 80 -1.982 -2.299 1.305 541 HG23 VAL 80 3HG2 VAL 80 -2.282 -2.905 2.934 542 H ASN 81 H ASN 81 -0.913 0.009 6.138 543 HA ASN 81 HA ASN 81 -2.080 2.642 6.378 544 HB2 ASN 81 1HB ASN 81 0.233 1.323 7.816 545 HB3 ASN 81 2HB ASN 81 -0.382 2.930 8.193 546 HD21 ASN 81 1HD2 ASN 81 -1.406 -0.441 7.886 547 HD22 ASN 81 2HD2 ASN 81 -2.581 -0.382 9.151 548 H ILE 82 H ILE 82 -1.460 4.341 5.233 549 HA ILE 82 HA ILE 82 1.329 4.479 4.300 550 HB ILE 82 HB ILE 82 -1.114 5.271 2.710 551 HG12 ILE 82 1HG1 ILE 82 0.944 3.116 2.187 552 HG13 ILE 82 2HG1 ILE 82 -0.673 2.827 2.819 553 HG21 ILE 82 1HG2 ILE 82 0.689 6.826 2.315 554 HG22 ILE 82 2HG2 ILE 82 1.820 5.499 2.057 555 HG23 ILE 82 3HG2 ILE 82 0.506 5.773 0.913 556 HD11 ILE 82 1HD1 ILE 82 0.216 3.251 0.092 557 HD12 ILE 82 2HD1 ILE 82 -1.275 2.533 0.704 558 HD13 ILE 82 3HD1 ILE 82 -1.143 4.283 0.537 559 H THR 83 H THR 83 2.323 6.221 5.045 560 HA THR 83 HA THR 83 0.753 8.673 5.485 561 HB THR 83 HB THR 83 2.135 9.169 7.472 562 HG1 THR 83 1HG THR 83 3.583 7.700 8.229 563 HG21 THR 83 1HG2 THR 83 0.835 6.468 7.784 564 HG22 THR 83 2HG2 THR 83 -0.086 7.960 7.595 565 HG23 THR 83 3HG2 THR 83 0.978 7.750 8.985 566 H TYR 84 H TYR 84 1.670 10.543 4.808 567 HA TYR 84 HA TYR 84 4.344 10.338 3.590 568 HB2 TYR 84 1HB TYR 84 2.374 10.783 2.066 569 HB3 TYR 84 2HB TYR 84 2.196 12.337 2.873 570 HD1 TYR 84 1HD TYR 84 5.006 10.354 1.388 571 HD2 TYR 84 2HD TYR 84 3.052 14.121 1.705 572 HE1 TYR 84 1HE TYR 84 6.659 11.334 -0.147 573 HE2 TYR 84 2HE TYR 84 4.700 15.111 0.170 574 HH TYR 84 HH TYR 84 7.579 13.511 -0.716 575 H GLY 85 H GLY 85 5.901 11.390 4.619 576 HA2 GLY 85 1HA GLY 85 7.011 13.089 5.716 577 HA3 GLY 85 2HA GLY 85 5.572 14.081 5.535 578 H GLY 86 H GLY 86 3.682 13.297 6.984 579 HA2 GLY 86 1HA GLY 86 4.342 11.986 9.429 580 HA3 GLY 86 2HA GLY 86 4.331 13.731 9.630 581 H ALA 87 H ALA 87 2.203 12.324 7.301 582 HA ALA 87 HA ALA 87 -0.042 12.376 9.181 583 HB1 ALA 87 1HB ALA 87 -0.874 13.555 6.702 584 HB2 ALA 87 2HB ALA 87 -0.983 14.202 8.340 585 HB3 ALA 87 3HB ALA 87 0.475 14.464 7.383 586 H HIS 88 H HIS 88 -2.069 11.510 8.131 587 HA HIS 88 HA HIS 88 -1.347 9.154 6.559 588 HB2 HIS 88 1HB HIS 88 -3.649 9.875 8.332 589 HB3 HIS 88 2HB HIS 88 -3.861 8.619 7.116 590 HD1 HIS 88 1HD HIS 88 -2.714 6.373 7.523 591 HD2 HIS 88 2HD HIS 88 -1.874 9.216 10.432 592 HE1 HIS 88 1HE HIS 88 -1.593 5.114 9.389 593 HE2 HIS 88 2HE HIS 88 -1.171 6.840 11.174 594 H ILE 89 H ILE 89 -1.868 8.917 4.480 595 HA ILE 89 HA ILE 89 -2.995 11.072 3.011 596 HB ILE 89 HB ILE 89 -2.816 9.634 1.059 597 HG12 ILE 89 1HG1 ILE 89 -1.813 7.389 2.779 598 HG13 ILE 89 2HG1 ILE 89 -3.539 7.566 2.483 599 HG21 ILE 89 1HG2 ILE 89 -0.636 10.112 2.921 600 HG22 ILE 89 2HG2 ILE 89 -0.310 8.777 1.816 601 HG23 ILE 89 3HG2 ILE 89 -0.714 10.371 1.179 602 HD11 ILE 89 1HD1 ILE 89 -2.225 6.005 0.964 603 HD12 ILE 89 2HD1 ILE 89 -3.299 7.174 0.196 604 HD13 ILE 89 3HD1 ILE 89 -1.561 7.468 0.237 605 HA PRO 90 HA PRO 90 -7.293 10.166 3.112 606 HB2 PRO 90 1HB PRO 90 -8.052 11.094 0.676 607 HB3 PRO 90 2HB PRO 90 -7.605 12.160 2.013 608 HG2 PRO 90 1HG PRO 90 -5.969 11.274 -0.332 609 HG3 PRO 90 2HG PRO 90 -6.101 12.886 0.396 610 HD2 PRO 90 1HD PRO 90 -4.016 11.231 0.892 611 HD3 PRO 90 2HD PRO 90 -4.635 12.376 2.099 612 H GLY 91 H GLY 91 -7.335 7.899 3.135 613 HA2 GLY 91 1HA GLY 91 -8.741 6.439 1.467 614 HA3 GLY 91 2HA GLY 91 -7.238 6.509 0.559 615 H SER 92 H SER 92 -5.995 6.595 3.446 616 HA SER 92 HA SER 92 -5.892 3.666 3.697 617 HB2 SER 92 1HB SER 92 -3.689 4.213 3.384 618 HB3 SER 92 2HB SER 92 -3.883 5.830 4.059 619 HG SER 92 HG SER 92 -3.614 5.053 6.052 620 HA PRO 93 HA PRO 93 -4.704 2.380 5.285 621 HB2 PRO 93 1HB PRO 93 -5.952 0.304 6.511 622 HB3 PRO 93 2HB PRO 93 -4.735 1.303 7.315 623 HG2 PRO 93 1HG PRO 93 -7.720 1.445 7.492 624 HG3 PRO 93 2HG PRO 93 -6.515 1.570 8.787 625 HD2 PRO 93 1HD PRO 93 -7.720 3.740 7.704 626 HD3 PRO 93 2HD PRO 93 -6.054 3.779 8.317 627 H PHE 94 H PHE 94 -5.004 1.040 3.554 628 HA PHE 94 HA PHE 94 -7.639 1.113 2.308 629 HB2 PHE 94 1HB PHE 94 -4.925 0.281 1.271 630 HB3 PHE 94 2HB PHE 94 -6.406 0.168 0.326 631 HD1 PHE 94 2HD PHE 94 -4.152 2.536 2.055 632 HD2 PHE 94 1HD PHE 94 -7.273 2.036 -0.795 633 HE1 PHE 94 2HE PHE 94 -3.863 4.871 1.335 634 HE2 PHE 94 1HE PHE 94 -6.989 4.370 -1.521 635 HZ PHE 94 HZ PHE 94 -5.284 5.791 -0.454 636 H ARG 95 H ARG 95 -9.002 -0.480 2.754 637 HA ARG 95 HA ARG 95 -8.279 -2.939 3.914 638 HB2 ARG 95 1HB ARG 95 -10.505 -2.039 4.206 639 HB3 ARG 95 2HB ARG 95 -10.802 -2.110 2.475 640 HG2 ARG 95 1HG ARG 95 -11.948 -3.931 3.467 641 HG3 ARG 95 2HG ARG 95 -10.549 -4.594 2.620 642 HD2 ARG 95 1HD ARG 95 -10.747 -5.665 4.765 643 HD3 ARG 95 2HD ARG 95 -9.321 -4.627 4.770 644 HE ARG 95 HE ARG 95 -10.320 -3.300 6.362 645 HH11 ARG 95 1HH1 ARG 95 -12.649 -5.533 5.056 646 HH12 ARG 95 2HH1 ARG 95 -13.852 -5.180 6.251 647 HH21 ARG 95 1HH2 ARG 95 -11.896 -2.825 7.941 648 HH22 ARG 95 2HH2 ARG 95 -13.424 -3.639 7.891 649 H VAL 96 H VAL 96 -7.527 -4.761 3.059 650 HA VAL 96 HA VAL 96 -7.952 -5.272 0.194 651 HB VAL 96 HB VAL 96 -5.333 -5.678 1.647 652 HG11 VAL 96 1HG1 VAL 96 -4.702 -5.981 -0.924 653 HG12 VAL 96 2HG1 VAL 96 -5.216 -7.331 0.091 654 HG13 VAL 96 3HG1 VAL 96 -6.370 -6.548 -0.989 655 HG21 VAL 96 1HG2 VAL 96 -4.470 -3.935 0.161 656 HG22 VAL 96 2HG2 VAL 96 -6.086 -3.701 -0.506 657 HG23 VAL 96 3HG2 VAL 96 -5.767 -3.322 1.186 658 HA PRO 97 HA PRO 97 -9.372 -9.051 2.185 659 HB2 PRO 97 1HB PRO 97 -10.577 -10.035 -0.040 660 HB3 PRO 97 2HB PRO 97 -11.318 -8.805 0.990 661 HG2 PRO 97 1HG PRO 97 -9.844 -8.475 -1.595 662 HG3 PRO 97 2HG PRO 97 -11.340 -7.692 -1.052 663 HD2 PRO 97 1HD PRO 97 -8.932 -6.457 -0.958 664 HD3 PRO 97 2HD PRO 97 -10.212 -6.145 0.231 665 H VAL 98 H VAL 98 -7.546 -10.245 2.533 666 HA VAL 98 HA VAL 98 -6.050 -11.314 0.276 667 HB VAL 98 HB VAL 98 -5.588 -11.621 3.246 668 HG11 VAL 98 1HG1 VAL 98 -3.571 -12.704 2.776 669 HG12 VAL 98 2HG1 VAL 98 -4.728 -13.452 1.673 670 HG13 VAL 98 3HG1 VAL 98 -3.605 -12.228 1.078 671 HG21 VAL 98 1HG2 VAL 98 -3.968 -9.935 3.086 672 HG22 VAL 98 2HG2 VAL 98 -3.946 -10.000 1.323 673 HG23 VAL 98 3HG2 VAL 98 -5.338 -9.316 2.164 674 H LYS 99 H LYS 99 -6.703 -13.129 -0.655 675 HA LYS 99 HA LYS 99 -8.274 -15.063 0.874 676 HB2 LYS 99 1HB LYS 99 -7.654 -15.110 -2.080 677 HB3 LYS 99 2HB LYS 99 -8.904 -16.014 -1.237 678 HG2 LYS 99 1HG LYS 99 -10.270 -14.169 -1.004 679 HG3 LYS 99 2HG LYS 99 -8.933 -13.029 -1.181 680 HD2 LYS 99 1HD LYS 99 -10.303 -12.980 -3.170 681 HD3 LYS 99 2HD LYS 99 -8.735 -13.691 -3.557 682 HE2 LYS 99 1HE LYS 99 -9.610 -15.811 -3.805 683 HE3 LYS 99 2HE LYS 99 -11.002 -15.470 -2.778 684 HZ1 LYS 99 1HZ LYS 99 -11.133 -15.575 -5.424 685 HZ2 LYS 99 2HZ LYS 99 -10.814 -13.925 -5.232 686 HZ3 LYS 99 3HZ LYS 99 -12.167 -14.616 -4.488 687 H ASP 100 H ASP 100 -7.828 -17.414 0.398 688 HA ASP 100 HA ASP 100 -4.942 -17.877 0.638 689 HB2 ASP 100 1HB ASP 100 -5.856 -20.227 1.366 690 HB3 ASP 100 2HB ASP 100 -5.919 -18.869 2.486 691 H VAL 101 H VAL 101 -3.830 -18.876 -0.911 692 HA VAL 101 HA VAL 101 -4.779 -19.351 -3.451 693 HB VAL 101 HB VAL 101 -2.489 -20.828 -2.147 694 HG11 VAL 101 1HG1 VAL 101 -2.753 -20.097 -5.046 695 HG12 VAL 101 2HG1 VAL 101 -1.677 -21.277 -4.296 696 HG13 VAL 101 3HG1 VAL 101 -3.406 -21.605 -4.408 697 HG21 VAL 101 1HG2 VAL 101 -2.057 -18.537 -1.803 698 HG22 VAL 101 2HG2 VAL 101 -1.130 -18.977 -3.237 699 HG23 VAL 101 3HG2 VAL 101 -2.651 -18.101 -3.405 700 H VAL 102 H VAL 102 -4.079 -21.855 -1.005 701 HA VAL 102 HA VAL 102 -6.293 -23.446 -2.072 702 HB VAL 102 HB VAL 102 -4.770 -25.505 -1.801 703 HG11 VAL 102 1HG1 VAL 102 -5.546 -25.033 -3.952 704 HG12 VAL 102 2HG1 VAL 102 -4.624 -23.532 -4.057 705 HG13 VAL 102 3HG1 VAL 102 -3.793 -25.087 -4.137 706 HG21 VAL 102 1HG2 VAL 102 -2.556 -25.276 -1.528 707 HG22 VAL 102 2HG2 VAL 102 -2.466 -23.895 -2.621 708 HG23 VAL 102 3HG2 VAL 102 -2.950 -23.660 -0.941 709 H ASP 103 H ASP 103 -7.546 -24.106 -0.465 710 HA ASP 103 HA ASP 103 -6.730 -23.810 2.269 711 HB2 ASP 103 1HB ASP 103 -9.010 -24.660 2.782 712 HB3 ASP 103 2HB ASP 103 -9.019 -23.301 1.661 713 HA PRO 104 HA PRO 104 -5.042 -27.885 2.709 714 HB2 PRO 104 1HB PRO 104 -4.743 -27.815 5.406 715 HB3 PRO 104 2HB PRO 104 -3.661 -26.964 4.297 716 HG2 PRO 104 1HG PRO 104 -5.970 -25.902 5.879 717 HG3 PRO 104 2HG PRO 104 -4.369 -25.185 5.617 718 HD2 PRO 104 1HD PRO 104 -6.561 -24.398 4.236 719 HD3 PRO 104 2HD PRO 104 -4.931 -24.380 3.532 720 H SER 105 H SER 105 -5.741 -29.911 3.319 721 HA SER 105 HA SER 105 -8.502 -30.047 4.300 722 HB2 SER 105 1HB SER 105 -8.051 -31.123 2.131 723 HB3 SER 105 2HB SER 105 -6.840 -32.152 2.894 724 HG SER 105 HG SER 105 -8.380 -33.301 3.839 Start of MODEL 20 1 H1 GLY 1 H GLY 1 15.763 8.889 6.915 2 HA2 GLY 1 1HA GLY 1 15.251 10.882 8.782 3 HA3 GLY 1 2HA GLY 1 16.899 10.344 9.071 4 H SER 2 H SER 2 14.728 11.673 6.622 5 HA SER 2 HA SER 2 17.087 12.842 5.296 6 HB2 SER 2 1HB SER 2 15.970 11.099 3.916 7 HB3 SER 2 2HB SER 2 14.482 12.044 3.973 8 HG SER 2 HG SER 2 15.271 12.999 2.280 9 H SER 3 H SER 3 16.977 14.975 4.659 10 HA SER 3 HA SER 3 14.623 16.540 4.688 11 HB2 SER 3 1HB SER 3 15.177 16.057 7.205 12 HB3 SER 3 2HB SER 3 16.419 17.286 6.971 13 HG SER 3 HG SER 3 14.929 18.776 6.908 14 H GLY 4 H GLY 4 15.080 18.859 4.362 15 HA2 GLY 4 1HA GLY 4 17.697 19.848 3.989 16 HA3 GLY 4 2HA GLY 4 17.077 19.268 2.450 17 H SER 5 H SER 5 16.257 20.828 1.243 18 HA SER 5 HA SER 5 15.526 23.366 2.360 19 HB2 SER 5 1HB SER 5 15.509 22.225 -0.428 20 HB3 SER 5 2HB SER 5 14.828 23.814 -0.081 21 HG SER 5 HG SER 5 16.785 24.544 -0.121 22 H SER 6 H SER 6 13.555 24.152 2.816 23 HA SER 6 HA SER 6 11.356 22.374 3.052 24 HB2 SER 6 1HB SER 6 11.762 25.308 3.514 25 HB3 SER 6 2HB SER 6 10.127 24.647 3.516 26 HG SER 6 HG SER 6 12.116 24.409 5.381 27 H GLY 7 H GLY 7 9.323 22.452 2.003 28 HA2 GLY 7 1HA GLY 7 9.170 23.994 -0.483 29 HA3 GLY 7 2HA GLY 7 9.076 22.243 -0.601 30 H GLY 8 H GLY 8 7.305 21.162 0.509 31 HA2 GLY 8 1HA GLY 8 5.190 22.264 1.832 32 HA3 GLY 8 2HA GLY 8 4.846 22.608 0.143 33 H CYS 9 H CYS 9 5.641 19.947 2.354 34 HA CYS 9 HA CYS 9 4.789 17.907 0.562 35 HB2 CYS 9 1HB CYS 9 5.017 16.402 2.463 36 HB3 CYS 9 2HB CYS 9 6.392 17.499 2.397 37 HG CYS 9 HG CYS 9 6.053 18.640 4.701 38 H GLN 10 H GLN 10 2.849 16.933 0.315 39 HA GLN 10 HA GLN 10 0.672 17.643 2.143 40 HB2 GLN 10 1HB GLN 10 0.807 18.185 -0.789 41 HB3 GLN 10 2HB GLN 10 -0.743 17.731 -0.091 42 HG2 GLN 10 1HG GLN 10 0.871 19.929 1.127 43 HG3 GLN 10 2HG GLN 10 -0.116 20.229 -0.303 44 HE21 GLN 10 1HE2 GLN 10 -2.389 19.103 -0.018 45 HE22 GLN 10 2HE2 GLN 10 -3.193 19.517 1.453 46 HA PRO 11 HA PRO 11 0.305 13.200 1.760 47 HB2 PRO 11 1HB PRO 11 -1.609 12.945 3.669 48 HB3 PRO 11 2HB PRO 11 0.104 13.163 4.049 49 HG2 PRO 11 1HG PRO 11 -2.102 15.186 4.019 50 HG3 PRO 11 2HG PRO 11 -0.801 14.968 5.203 51 HD2 PRO 11 1HD PRO 11 -0.714 16.869 3.277 52 HD3 PRO 11 2HD PRO 11 0.745 16.068 3.894 53 H SER 12 H SER 12 -2.047 15.641 1.210 54 HA SER 12 HA SER 12 -4.152 13.826 0.417 55 HB2 SER 12 1HB SER 12 -5.433 15.811 -0.091 56 HB3 SER 12 2HB SER 12 -4.610 16.062 1.449 57 HG SER 12 HG SER 12 -3.014 17.247 0.295 58 H ARG 13 H ARG 13 -1.470 15.404 -1.049 59 HA ARG 13 HA ARG 13 -2.478 15.300 -3.739 60 HB2 ARG 13 1HB ARG 13 0.326 15.730 -2.692 61 HB3 ARG 13 2HB ARG 13 -0.165 15.921 -4.370 62 HG2 ARG 13 1HG ARG 13 -1.512 17.479 -2.202 63 HG3 ARG 13 2HG ARG 13 0.029 18.009 -2.879 64 HD2 ARG 13 1HD ARG 13 -1.123 17.742 -5.162 65 HD3 ARG 13 2HD ARG 13 -2.626 17.714 -4.241 66 HE ARG 13 HE ARG 13 -1.284 19.941 -3.367 67 HH11 ARG 13 1HH1 ARG 13 -2.446 18.758 -6.428 68 HH12 ARG 13 2HH1 ARG 13 -2.714 20.339 -7.085 69 HH21 ARG 13 1HH2 ARG 13 -1.632 22.028 -4.221 70 HH22 ARG 13 2HH2 ARG 13 -2.249 22.198 -5.830 71 H VAL 14 H VAL 14 -1.157 13.046 -1.596 72 HA VAL 14 HA VAL 14 0.152 11.382 -3.543 73 HB VAL 14 HB VAL 14 -0.741 10.574 -0.777 74 HG11 VAL 14 1HG1 VAL 14 0.171 8.622 -1.309 75 HG12 VAL 14 2HG1 VAL 14 0.628 9.238 -2.898 76 HG13 VAL 14 3HG1 VAL 14 1.724 9.427 -1.530 77 HG21 VAL 14 1HG2 VAL 14 0.859 12.706 -1.232 78 HG22 VAL 14 2HG2 VAL 14 0.976 11.669 0.190 79 HG23 VAL 14 3HG2 VAL 14 2.052 11.408 -1.183 80 H GLN 15 H GLN 15 -0.594 9.520 -4.487 81 HA GLN 15 HA GLN 15 -3.410 8.813 -4.013 82 HB2 GLN 15 1HB GLN 15 -3.728 9.816 -6.038 83 HB3 GLN 15 2HB GLN 15 -2.065 9.559 -6.548 84 HG2 GLN 15 1HG GLN 15 -2.498 7.511 -7.428 85 HG3 GLN 15 2HG GLN 15 -3.802 7.175 -6.291 86 HE21 GLN 15 1HE2 GLN 15 -3.198 7.627 -9.424 87 HE22 GLN 15 2HE2 GLN 15 -4.701 8.301 -9.945 88 H ALA 16 H ALA 16 -3.946 6.639 -4.242 89 HA ALA 16 HA ALA 16 -1.726 4.779 -4.739 90 HB1 ALA 16 1HB ALA 16 -3.678 4.156 -2.572 91 HB2 ALA 16 2HB ALA 16 -2.018 3.601 -2.787 92 HB3 ALA 16 3HB ALA 16 -2.333 5.247 -2.239 93 H GLN 17 H GLN 17 -2.261 3.442 -6.325 94 HA GLN 17 HA GLN 17 -4.946 2.307 -6.415 95 HB2 GLN 17 1HB GLN 17 -5.339 2.857 -8.699 96 HB3 GLN 17 2HB GLN 17 -4.899 4.352 -7.884 97 HG2 GLN 17 1HG GLN 17 -2.740 4.349 -8.838 98 HG3 GLN 17 2HG GLN 17 -2.916 2.690 -9.406 99 HE21 GLN 17 1HE2 GLN 17 -2.555 5.535 -10.611 100 HE22 GLN 17 2HE2 GLN 17 -3.645 5.516 -11.952 101 H GLY 18 H GLY 18 -4.999 0.229 -7.125 102 HA2 GLY 18 1HA GLY 18 -3.542 -1.149 -8.898 103 HA3 GLY 18 2HA GLY 18 -2.429 -1.062 -7.540 104 HA PRO 19 HA PRO 19 -5.214 -4.802 -7.121 105 HB2 PRO 19 1HB PRO 19 -3.207 -6.624 -6.968 106 HB3 PRO 19 2HB PRO 19 -3.924 -6.111 -8.500 107 HG2 PRO 19 1HG PRO 19 -1.384 -5.206 -7.200 108 HG3 PRO 19 2HG PRO 19 -1.693 -5.593 -8.902 109 HD2 PRO 19 1HD PRO 19 -1.610 -3.049 -7.978 110 HD3 PRO 19 2HD PRO 19 -2.658 -3.543 -9.323 111 H GLY 20 H GLY 20 -2.069 -4.163 -5.567 112 HA2 GLY 20 1HA GLY 20 -2.457 -5.577 -3.211 113 HA3 GLY 20 2HA GLY 20 -1.459 -4.137 -3.354 114 H LEU 21 H LEU 21 -4.132 -2.817 -4.286 115 HA LEU 21 HA LEU 21 -5.012 -2.178 -1.555 116 HB2 LEU 21 1HB LEU 21 -5.409 -0.581 -4.080 117 HB3 LEU 21 2HB LEU 21 -5.803 -0.071 -2.440 118 HG LEU 21 HG LEU 21 -2.996 -0.647 -3.372 119 HD11 LEU 21 1HD1 LEU 21 -2.701 1.510 -4.022 120 HD12 LEU 21 2HD1 LEU 21 -3.953 2.126 -2.944 121 HD13 LEU 21 3HD1 LEU 21 -4.402 1.326 -4.450 122 HD21 LEU 21 1HD2 LEU 21 -2.940 1.155 -1.296 123 HD22 LEU 21 2HD2 LEU 21 -2.632 -0.577 -1.170 124 HD23 LEU 21 3HD2 LEU 21 -4.243 0.059 -0.837 125 H LYS 22 H LYS 22 -6.017 -3.495 -4.574 126 HA LYS 22 HA LYS 22 -8.849 -3.271 -3.927 127 HB2 LYS 22 1HB LYS 22 -7.273 -4.065 -6.328 128 HB3 LYS 22 2HB LYS 22 -8.891 -4.732 -6.152 129 HG2 LYS 22 1HG LYS 22 -8.998 -2.753 -7.498 130 HG3 LYS 22 2HG LYS 22 -9.774 -2.432 -5.945 131 HD2 LYS 22 1HD LYS 22 -7.405 -1.562 -5.270 132 HD3 LYS 22 2HD LYS 22 -7.170 -1.426 -7.014 133 HE2 LYS 22 1HE LYS 22 -9.444 -0.180 -6.965 134 HE3 LYS 22 2HE LYS 22 -9.113 0.008 -5.244 135 HZ1 LYS 22 1HZ LYS 22 -7.607 1.090 -7.539 136 HZ2 LYS 22 2HZ LYS 22 -6.867 0.911 -6.028 137 HZ3 LYS 22 3HZ LYS 22 -8.223 1.909 -6.192 138 H GLU 23 H GLU 23 -6.640 -5.927 -4.833 139 HA GLU 23 HA GLU 23 -7.850 -7.607 -2.783 140 HB2 GLU 23 1HB GLU 23 -9.259 -8.380 -4.425 141 HB3 GLU 23 2HB GLU 23 -8.116 -8.043 -5.717 142 HG2 GLU 23 1HG GLU 23 -6.854 -9.991 -5.225 143 HG3 GLU 23 2HG GLU 23 -7.744 -10.263 -3.728 144 H ALA 24 H ALA 24 -6.549 -9.332 -2.121 145 HA ALA 24 HA ALA 24 -3.901 -9.552 -3.365 146 HB1 ALA 24 1HB ALA 24 -4.504 -8.775 -0.553 147 HB2 ALA 24 2HB ALA 24 -3.073 -9.752 -0.883 148 HB3 ALA 24 3HB ALA 24 -3.258 -8.174 -1.648 149 H PHE 25 H PHE 25 -2.688 -11.377 -1.883 150 HA PHE 25 HA PHE 25 -4.502 -13.562 -1.268 151 HB2 PHE 25 1HB PHE 25 -2.624 -13.557 -3.609 152 HB3 PHE 25 2HB PHE 25 -2.996 -15.065 -2.780 153 HD1 PHE 25 2HD PHE 25 -4.470 -12.250 -4.660 154 HD2 PHE 25 1HD PHE 25 -5.038 -16.182 -3.132 155 HE1 PHE 25 2HE PHE 25 -6.535 -12.461 -5.980 156 HE2 PHE 25 1HE PHE 25 -7.104 -16.399 -4.450 157 HZ PHE 25 HZ PHE 25 -7.856 -14.537 -5.876 158 H THR 26 H THR 26 -3.344 -15.444 -0.353 159 HA THR 26 HA THR 26 -1.348 -14.555 1.505 160 HB THR 26 HB THR 26 -1.391 -16.905 2.328 161 HG1 THR 26 1HG THR 26 -2.945 -18.309 1.371 162 HG21 THR 26 1HG2 THR 26 -4.150 -16.717 2.486 163 HG22 THR 26 2HG2 THR 26 -3.629 -15.051 2.233 164 HG23 THR 26 3HG2 THR 26 -2.990 -15.979 3.590 165 H ASN 27 H ASN 27 0.799 -14.767 1.392 166 HA ASN 27 HA ASN 27 2.875 -15.240 0.593 167 HB2 ASN 27 1HB ASN 27 1.500 -17.800 -0.249 168 HB3 ASN 27 2HB ASN 27 3.243 -17.547 -0.288 169 HD21 ASN 27 1HD2 ASN 27 0.587 -17.000 2.008 170 HD22 ASN 27 2HD2 ASN 27 1.391 -17.706 3.364 171 H LYS 28 H LYS 28 1.010 -13.786 -1.086 172 HA LYS 28 HA LYS 28 2.159 -14.430 -3.722 173 HB2 LYS 28 1HB LYS 28 -0.623 -13.570 -2.983 174 HB3 LYS 28 2HB LYS 28 0.020 -13.241 -4.587 175 HG2 LYS 28 1HG LYS 28 0.589 -15.813 -4.511 176 HG3 LYS 28 2HG LYS 28 -0.723 -15.826 -3.331 177 HD2 LYS 28 1HD LYS 28 -2.302 -15.169 -4.884 178 HD3 LYS 28 2HD LYS 28 -1.101 -14.422 -5.941 179 HE2 LYS 28 1HE LYS 28 -1.147 -17.385 -5.470 180 HE3 LYS 28 2HE LYS 28 -2.180 -16.635 -6.686 181 HZ1 LYS 28 1HZ LYS 28 0.267 -17.488 -7.205 182 HZ2 LYS 28 2HZ LYS 28 0.637 -15.904 -6.744 183 HZ3 LYS 28 3HZ LYS 28 -0.436 -16.183 -8.022 184 HA PRO 29 HA PRO 29 3.851 -10.366 -3.670 185 HB2 PRO 29 1HB PRO 29 4.173 -9.998 -6.340 186 HB3 PRO 29 2HB PRO 29 5.206 -11.070 -5.387 187 HG2 PRO 29 1HG PRO 29 2.867 -11.748 -7.129 188 HG3 PRO 29 2HG PRO 29 4.433 -12.569 -6.987 189 HD2 PRO 29 1HD PRO 29 2.195 -13.477 -5.762 190 HD3 PRO 29 2HD PRO 29 3.816 -13.685 -5.067 191 H ASN 30 H ASN 30 2.491 -8.775 -3.072 192 HA ASN 30 HA ASN 30 0.472 -7.886 -5.026 193 HB2 ASN 30 1HB ASN 30 0.230 -7.214 -2.122 194 HB3 ASN 30 2HB ASN 30 -1.034 -7.421 -3.331 195 HD21 ASN 30 1HD2 ASN 30 0.810 -8.894 -0.883 196 HD22 ASN 30 2HD2 ASN 30 0.148 -10.485 -1.016 197 H VAL 31 H VAL 31 1.054 -6.062 -5.986 198 HA VAL 31 HA VAL 31 2.468 -4.023 -4.393 199 HB VAL 31 HB VAL 31 3.721 -3.340 -6.313 200 HG11 VAL 31 1HG1 VAL 31 4.027 -6.267 -6.624 201 HG12 VAL 31 2HG1 VAL 31 5.238 -5.027 -6.296 202 HG13 VAL 31 3HG1 VAL 31 4.200 -5.613 -4.996 203 HG21 VAL 31 1HG2 VAL 31 1.613 -4.418 -7.771 204 HG22 VAL 31 2HG2 VAL 31 3.079 -3.681 -8.418 205 HG23 VAL 31 3HG2 VAL 31 3.001 -5.426 -8.179 206 H PHE 32 H PHE 32 2.260 -1.794 -5.413 207 HA PHE 32 HA PHE 32 -0.136 -1.319 -6.952 208 HB2 PHE 32 1HB PHE 32 -1.037 0.268 -5.167 209 HB3 PHE 32 2HB PHE 32 -1.237 -1.454 -4.862 210 HD1 PHE 32 2HD PHE 32 0.242 -2.594 -3.230 211 HD2 PHE 32 1HD PHE 32 0.258 1.632 -3.736 212 HE1 PHE 32 2HE PHE 32 1.373 -2.342 -1.060 213 HE2 PHE 32 1HE PHE 32 1.390 1.891 -1.567 214 HZ PHE 32 HZ PHE 32 1.948 -0.098 -0.225 215 H THR 33 H THR 33 -0.399 0.960 -7.516 216 HA THR 33 HA THR 33 2.205 2.254 -7.765 217 HB THR 33 HB THR 33 -0.388 3.102 -9.059 218 HG1 THR 33 1HG THR 33 -0.085 1.142 -9.941 219 HG21 THR 33 1HG2 THR 33 2.304 4.131 -9.047 220 HG22 THR 33 2HG2 THR 33 0.849 4.816 -9.771 221 HG23 THR 33 3HG2 THR 33 1.827 3.663 -10.678 222 H VAL 34 H VAL 34 2.790 3.886 -6.504 223 HA VAL 34 HA VAL 34 0.684 5.428 -5.132 224 HB VAL 34 HB VAL 34 3.500 4.939 -4.155 225 HG11 VAL 34 1HG1 VAL 34 3.126 6.529 -2.651 226 HG12 VAL 34 2HG1 VAL 34 1.611 6.908 -3.471 227 HG13 VAL 34 3HG1 VAL 34 1.630 5.747 -2.143 228 HG21 VAL 34 1HG2 VAL 34 2.224 3.613 -2.365 229 HG22 VAL 34 2HG2 VAL 34 0.896 3.585 -3.525 230 HG23 VAL 34 3HG2 VAL 34 2.449 2.862 -3.945 231 H VAL 35 H VAL 35 0.561 6.977 -6.798 232 HA VAL 35 HA VAL 35 2.797 8.356 -7.842 233 HB VAL 35 HB VAL 35 -0.116 9.136 -7.714 234 HG11 VAL 35 1HG1 VAL 35 2.058 10.435 -9.349 235 HG12 VAL 35 2HG1 VAL 35 0.356 10.896 -9.279 236 HG13 VAL 35 3HG1 VAL 35 1.388 11.111 -7.864 237 HG21 VAL 35 1HG2 VAL 35 0.356 8.703 -10.296 238 HG22 VAL 35 2HG2 VAL 35 1.588 7.635 -9.622 239 HG23 VAL 35 3HG2 VAL 35 -0.108 7.407 -9.193 240 H THR 36 H THR 36 4.113 9.659 -6.768 241 HA THR 36 HA THR 36 2.978 11.395 -4.673 242 HB THR 36 HB THR 36 5.027 11.222 -3.399 243 HG1 THR 36 1HG THR 36 6.759 10.029 -4.116 244 HG21 THR 36 1HG2 THR 36 3.774 9.538 -2.546 245 HG22 THR 36 2HG2 THR 36 5.025 8.528 -3.271 246 HG23 THR 36 3HG2 THR 36 3.504 8.797 -4.123 247 H ARG 37 H ARG 37 3.241 12.089 -7.416 248 HA ARG 37 HA ARG 37 5.621 13.667 -7.752 249 HB2 ARG 37 1HB ARG 37 4.679 14.328 -9.867 250 HB3 ARG 37 2HB ARG 37 4.413 12.603 -9.652 251 HG2 ARG 37 1HG ARG 37 2.355 13.195 -10.392 252 HG3 ARG 37 2HG ARG 37 2.110 13.456 -8.664 253 HD2 ARG 37 1HD ARG 37 1.254 15.344 -9.910 254 HD3 ARG 37 2HD ARG 37 2.663 15.836 -8.971 255 HE ARG 37 HE ARG 37 3.207 15.073 -11.707 256 HH11 ARG 37 1HH1 ARG 37 2.471 17.657 -9.494 257 HH12 ARG 37 2HH1 ARG 37 3.112 18.896 -10.523 258 HH21 ARG 37 1HH2 ARG 37 4.055 16.694 -13.070 259 HH22 ARG 37 2HH2 ARG 37 4.012 18.347 -12.557 260 H GLY 38 H GLY 38 2.238 14.275 -6.934 261 HA2 GLY 38 1HA GLY 38 2.560 17.135 -6.900 262 HA3 GLY 38 2HA GLY 38 1.153 16.235 -6.353 263 H ALA 39 H ALA 39 2.641 14.557 -4.513 264 HA ALA 39 HA ALA 39 2.394 16.017 -2.173 265 HB1 ALA 39 1HB ALA 39 2.435 13.594 -2.192 266 HB2 ALA 39 2HB ALA 39 4.129 13.604 -2.684 267 HB3 ALA 39 3HB ALA 39 3.669 14.214 -1.094 268 H GLY 40 H GLY 40 5.434 15.134 -3.831 269 HA2 GLY 40 1HA GLY 40 7.046 16.993 -4.157 270 HA3 GLY 40 2HA GLY 40 6.684 17.461 -2.503 271 H ILE 41 H ILE 41 8.264 16.973 -1.149 272 HA ILE 41 HA ILE 41 9.642 14.395 -1.465 273 HB ILE 41 HB ILE 41 11.008 17.003 -0.790 274 HG12 ILE 41 1HG1 ILE 41 11.468 15.297 -3.231 275 HG13 ILE 41 2HG1 ILE 41 10.276 16.592 -3.217 276 HG21 ILE 41 1HG2 ILE 41 11.940 15.027 0.354 277 HG22 ILE 41 2HG2 ILE 41 12.182 14.259 -1.214 278 HG23 ILE 41 3HG2 ILE 41 13.064 15.731 -0.808 279 HD11 ILE 41 1HD1 ILE 41 13.172 16.715 -3.440 280 HD12 ILE 41 2HD1 ILE 41 11.942 17.888 -3.912 281 HD13 ILE 41 3HD1 ILE 41 12.513 17.831 -2.245 282 H GLY 42 H GLY 42 9.952 13.269 0.379 283 HA2 GLY 42 1HA GLY 42 10.279 14.310 2.947 284 HA3 GLY 42 2HA GLY 42 8.560 14.017 2.724 285 H GLY 43 H GLY 43 9.253 12.586 4.655 286 HA2 GLY 43 1HA GLY 43 10.461 10.065 3.822 287 HA3 GLY 43 2HA GLY 43 10.031 10.521 5.463 288 H LEU 44 H LEU 44 9.025 8.936 2.589 289 HA LEU 44 HA LEU 44 6.262 8.675 3.407 290 HB2 LEU 44 1HB LEU 44 6.498 8.782 1.097 291 HB3 LEU 44 2HB LEU 44 7.890 7.701 1.093 292 HG LEU 44 HG LEU 44 6.222 5.879 1.805 293 HD11 LEU 44 1HD1 LEU 44 3.924 6.228 1.186 294 HD12 LEU 44 2HD1 LEU 44 4.278 7.869 0.646 295 HD13 LEU 44 3HD1 LEU 44 4.399 7.459 2.357 296 HD21 LEU 44 1HD2 LEU 44 5.591 5.467 -0.530 297 HD22 LEU 44 2HD2 LEU 44 7.282 5.946 -0.379 298 HD23 LEU 44 3HD2 LEU 44 6.083 7.110 -0.945 299 H GLY 45 H GLY 45 5.318 6.934 4.352 300 HA2 GLY 45 1HA GLY 45 7.027 4.587 4.882 301 HA3 GLY 45 2HA GLY 45 6.113 5.346 6.177 302 H ILE 46 H ILE 46 6.120 2.758 4.245 303 HA ILE 46 HA ILE 46 3.177 2.605 4.176 304 HB ILE 46 HB ILE 46 5.082 1.216 2.290 305 HG12 ILE 46 1HG1 ILE 46 3.190 3.499 1.700 306 HG13 ILE 46 2HG1 ILE 46 4.913 3.708 1.993 307 HG21 ILE 46 1HG2 ILE 46 2.222 1.448 1.647 308 HG22 ILE 46 2HG2 ILE 46 3.332 0.098 1.422 309 HG23 ILE 46 3HG2 ILE 46 2.610 0.391 3.004 310 HD11 ILE 46 1HD1 ILE 46 4.591 3.716 -0.347 311 HD12 ILE 46 2HD1 ILE 46 5.319 2.162 0.060 312 HD13 ILE 46 3HD1 ILE 46 3.593 2.264 -0.284 313 H THR 47 H THR 47 2.413 1.209 5.606 314 HA THR 47 HA THR 47 3.962 -1.235 6.163 315 HB THR 47 HB THR 47 2.932 -1.113 8.501 316 HG1 THR 47 1HG THR 47 2.495 1.549 7.589 317 HG21 THR 47 1HG2 THR 47 5.290 -0.755 8.185 318 HG22 THR 47 2HG2 THR 47 4.689 0.469 9.304 319 HG23 THR 47 3HG2 THR 47 5.010 0.892 7.622 320 H VAL 48 H VAL 48 2.698 -3.069 6.864 321 HA VAL 48 HA VAL 48 -0.127 -2.929 6.033 322 HB VAL 48 HB VAL 48 1.891 -5.088 5.438 323 HG11 VAL 48 1HG1 VAL 48 -0.428 -5.923 4.266 324 HG12 VAL 48 2HG1 VAL 48 0.223 -6.545 5.783 325 HG13 VAL 48 3HG1 VAL 48 -1.006 -5.280 5.803 326 HG21 VAL 48 1HG2 VAL 48 0.559 -4.593 3.139 327 HG22 VAL 48 2HG2 VAL 48 0.494 -3.002 3.899 328 HG23 VAL 48 3HG2 VAL 48 2.051 -3.779 3.609 329 H GLU 49 H GLU 49 -1.540 -3.601 7.508 330 HA GLU 49 HA GLU 49 -0.529 -5.182 9.779 331 HB2 GLU 49 1HB GLU 49 -2.756 -3.152 9.629 332 HB3 GLU 49 2HB GLU 49 -2.522 -4.218 11.006 333 HG2 GLU 49 1HG GLU 49 -0.142 -3.267 11.085 334 HG3 GLU 49 2HG GLU 49 -0.768 -1.998 10.033 335 H GLY 50 H GLY 50 -1.508 -7.064 10.317 336 HA2 GLY 50 1HA GLY 50 -4.150 -7.762 9.516 337 HA3 GLY 50 2HA GLY 50 -2.961 -8.517 8.465 338 HA PRO 51 HA PRO 51 -3.715 -11.276 12.136 339 HB2 PRO 51 1HB PRO 51 -4.136 -13.524 10.673 340 HB3 PRO 51 2HB PRO 51 -5.427 -12.387 11.080 341 HG2 PRO 51 1HG PRO 51 -3.865 -12.649 8.539 342 HG3 PRO 51 2HG PRO 51 -5.605 -12.389 8.761 343 HD2 PRO 51 1HD PRO 51 -3.899 -10.380 8.141 344 HD3 PRO 51 2HD PRO 51 -5.347 -10.130 9.137 345 H SER 52 H SER 52 -1.469 -10.880 9.689 346 HA SER 52 HA SER 52 0.523 -12.381 11.126 347 HB2 SER 52 1HB SER 52 1.174 -13.851 9.305 348 HB3 SER 52 2HB SER 52 -0.523 -14.129 9.694 349 HG SER 52 HG SER 52 0.094 -12.249 7.720 350 H GLU 53 H GLU 53 2.626 -11.766 10.612 351 HA GLU 53 HA GLU 53 2.937 -9.166 9.563 352 HB2 GLU 53 1HB GLU 53 4.460 -10.033 11.243 353 HB3 GLU 53 2HB GLU 53 4.993 -11.302 10.149 354 HG2 GLU 53 1HG GLU 53 6.670 -9.623 10.192 355 HG3 GLU 53 2HG GLU 53 5.862 -9.535 8.628 356 H SER 54 H SER 54 3.343 -8.442 7.568 357 HA SER 54 HA SER 54 3.770 -10.443 5.452 358 HB2 SER 54 1HB SER 54 2.686 -7.633 5.151 359 HB3 SER 54 2HB SER 54 2.732 -8.889 3.914 360 HG SER 54 HG SER 54 1.127 -8.737 6.228 361 H LYS 55 H LYS 55 5.384 -10.178 3.948 362 HA LYS 55 HA LYS 55 7.626 -8.574 4.775 363 HB2 LYS 55 1HB LYS 55 7.124 -10.667 2.720 364 HB3 LYS 55 2HB LYS 55 8.466 -9.564 2.441 365 HG2 LYS 55 1HG LYS 55 9.166 -10.178 4.850 366 HG3 LYS 55 2HG LYS 55 8.087 -11.558 4.635 367 HD2 LYS 55 1HD LYS 55 10.105 -10.957 2.523 368 HD3 LYS 55 2HD LYS 55 10.637 -11.727 4.020 369 HE2 LYS 55 1HE LYS 55 8.255 -12.830 2.617 370 HE3 LYS 55 2HE LYS 55 9.851 -13.148 1.940 371 HZ1 LYS 55 1HZ LYS 55 8.594 -14.334 4.189 372 HZ2 LYS 55 2HZ LYS 55 10.071 -13.644 4.641 373 HZ3 LYS 55 3HZ LYS 55 10.019 -14.791 3.398 374 H ILE 56 H ILE 56 7.192 -6.427 4.485 375 HA ILE 56 HA ILE 56 6.186 -5.484 1.925 376 HB ILE 56 HB ILE 56 6.794 -4.111 4.530 377 HG12 ILE 56 1HG1 ILE 56 4.237 -4.026 2.953 378 HG13 ILE 56 2HG1 ILE 56 4.610 -5.406 3.980 379 HG21 ILE 56 1HG2 ILE 56 6.374 -2.907 1.826 380 HG22 ILE 56 2HG2 ILE 56 5.821 -2.063 3.271 381 HG23 ILE 56 3HG2 ILE 56 7.528 -2.462 3.082 382 HD11 ILE 56 1HD1 ILE 56 3.561 -2.840 4.690 383 HD12 ILE 56 2HD1 ILE 56 3.739 -4.291 5.676 384 HD13 ILE 56 3HD1 ILE 56 5.070 -3.140 5.552 385 H ASN 57 H ASN 57 7.303 -4.121 0.528 386 HA ASN 57 HA ASN 57 10.074 -3.463 1.074 387 HB2 ASN 57 1HB ASN 57 9.273 -5.324 -1.171 388 HB3 ASN 57 2HB ASN 57 10.836 -4.517 -1.079 389 HD21 ASN 57 1HD2 ASN 57 9.034 -7.206 -0.177 390 HD22 ASN 57 2HD2 ASN 57 10.154 -7.896 0.943 391 H CYS 58 H CYS 58 10.127 -1.374 0.586 392 HA CYS 58 HA CYS 58 8.589 -0.413 -1.726 393 HB2 CYS 58 1HB CYS 58 8.416 0.539 0.741 394 HB3 CYS 58 2HB CYS 58 9.832 1.457 0.242 395 HG CYS 58 HG CYS 58 7.426 1.620 -2.034 396 H ARG 59 H ARG 59 9.549 0.749 -3.354 397 HA ARG 59 HA ARG 59 12.491 0.911 -3.273 398 HB2 ARG 59 1HB ARG 59 11.274 -0.797 -4.864 399 HB3 ARG 59 2HB ARG 59 11.013 0.630 -5.858 400 HG2 ARG 59 1HG ARG 59 13.245 0.882 -6.328 401 HG3 ARG 59 2HG ARG 59 13.757 0.038 -4.864 402 HD2 ARG 59 1HD ARG 59 13.128 -2.080 -5.792 403 HD3 ARG 59 2HD ARG 59 12.384 -1.301 -7.188 404 HE ARG 59 HE ARG 59 15.084 -0.556 -7.072 405 HH11 ARG 59 1HH1 ARG 59 13.113 -3.360 -7.679 406 HH12 ARG 59 2HH1 ARG 59 14.269 -4.106 -8.732 407 HH21 ARG 59 1HH2 ARG 59 16.614 -1.527 -8.456 408 HH22 ARG 59 2HH2 ARG 59 16.260 -3.063 -9.173 409 H ASP 60 H ASP 60 13.461 2.645 -4.449 410 HA ASP 60 HA ASP 60 11.716 4.999 -4.601 411 HB2 ASP 60 1HB ASP 60 14.726 5.050 -4.656 412 HB3 ASP 60 2HB ASP 60 13.616 6.339 -4.200 413 H ASN 61 H ASN 61 11.122 5.739 -6.521 414 HA ASN 61 HA ASN 61 12.661 4.917 -8.885 415 HB2 ASN 61 1HB ASN 61 9.811 5.915 -8.681 416 HB3 ASN 61 2HB ASN 61 10.614 5.419 -10.168 417 HD21 ASN 61 1HD2 ASN 61 8.531 4.450 -7.854 418 HD22 ASN 61 2HD2 ASN 61 8.717 2.737 -7.982 419 H LYS 62 H LYS 62 12.983 6.456 -10.601 420 HA LYS 62 HA LYS 62 13.233 9.207 -9.586 421 HB2 LYS 62 1HB LYS 62 14.838 7.622 -11.573 422 HB3 LYS 62 2HB LYS 62 14.895 9.380 -11.562 423 HG2 LYS 62 1HG LYS 62 15.414 7.810 -9.068 424 HG3 LYS 62 2HG LYS 62 16.686 8.076 -10.263 425 HD2 LYS 62 1HD LYS 62 16.713 10.368 -9.912 426 HD3 LYS 62 2HD LYS 62 15.081 10.386 -9.241 427 HE2 LYS 62 1HE LYS 62 15.978 9.101 -7.282 428 HE3 LYS 62 2HE LYS 62 17.595 9.361 -7.934 429 HZ1 LYS 62 1HZ LYS 62 15.818 11.221 -6.596 430 HZ2 LYS 62 2HZ LYS 62 16.642 11.849 -7.933 431 HZ3 LYS 62 3HZ LYS 62 17.509 11.180 -6.643 432 H ASP 63 H ASP 63 10.755 8.360 -10.556 433 HA ASP 63 HA ASP 63 10.575 9.874 -13.078 434 HB2 ASP 63 1HB ASP 63 8.656 7.691 -12.272 435 HB3 ASP 63 2HB ASP 63 8.835 8.452 -13.851 436 H GLY 64 H GLY 64 8.259 8.652 -10.655 437 HA2 GLY 64 1HA GLY 64 7.643 11.066 -9.432 438 HA3 GLY 64 2HA GLY 64 6.605 10.953 -10.845 439 H SER 65 H SER 65 7.724 8.439 -8.598 440 HA SER 65 HA SER 65 5.303 8.211 -7.174 441 HB2 SER 65 1HB SER 65 4.374 7.425 -9.284 442 HB3 SER 65 2HB SER 65 5.669 6.239 -9.442 443 HG SER 65 HG SER 65 4.171 5.040 -8.511 444 H CYS 66 H CYS 66 5.186 5.860 -6.164 445 HA CYS 66 HA CYS 66 7.909 4.898 -5.635 446 HB2 CYS 66 1HB CYS 66 5.864 5.797 -3.622 447 HB3 CYS 66 2HB CYS 66 7.105 4.627 -3.192 448 HG CYS 66 HG CYS 66 7.316 7.822 -3.059 449 H SER 67 H SER 67 8.089 2.751 -5.709 450 HA SER 67 HA SER 67 5.672 1.171 -6.072 451 HB2 SER 67 1HB SER 67 7.085 -0.539 -6.944 452 HB3 SER 67 2HB SER 67 7.710 0.982 -7.580 453 HG SER 67 HG SER 67 9.071 -0.806 -6.306 454 H ALA 68 H ALA 68 4.843 -0.176 -4.603 455 HA ALA 68 HA ALA 68 6.493 -0.946 -2.294 456 HB1 ALA 68 1HB ALA 68 5.013 0.971 -1.711 457 HB2 ALA 68 2HB ALA 68 3.624 -0.057 -2.064 458 HB3 ALA 68 3HB ALA 68 4.723 -0.481 -0.752 459 H GLU 69 H GLU 69 6.545 -3.078 -2.080 460 HA GLU 69 HA GLU 69 4.222 -4.641 -3.002 461 HB2 GLU 69 1HB GLU 69 5.713 -6.402 -3.712 462 HB3 GLU 69 2HB GLU 69 6.201 -4.896 -4.475 463 HG2 GLU 69 1HG GLU 69 7.900 -4.664 -2.613 464 HG3 GLU 69 2HG GLU 69 7.525 -6.336 -2.200 465 H TYR 70 H TYR 70 3.493 -6.274 -1.707 466 HA TYR 70 HA TYR 70 4.974 -6.868 0.751 467 HB2 TYR 70 1HB TYR 70 3.022 -6.576 2.141 468 HB3 TYR 70 2HB TYR 70 3.300 -5.087 1.244 469 HD1 TYR 70 2HD TYR 70 1.115 -8.015 1.609 470 HD2 TYR 70 1HD TYR 70 1.737 -4.334 -0.433 471 HE1 TYR 70 2HE TYR 70 -1.197 -8.094 0.774 472 HE2 TYR 70 1HE TYR 70 -0.574 -4.403 -1.273 473 HH TYR 70 HH TYR 70 -2.535 -5.457 -1.184 474 H ILE 71 H ILE 71 4.372 -8.859 1.763 475 HA ILE 71 HA ILE 71 2.662 -10.641 0.190 476 HB ILE 71 HB ILE 71 5.519 -11.243 0.952 477 HG12 ILE 71 1HG1 ILE 71 4.165 -11.400 -1.744 478 HG13 ILE 71 2HG1 ILE 71 5.034 -9.976 -1.183 479 HG21 ILE 71 1HG2 ILE 71 3.233 -13.020 0.542 480 HG22 ILE 71 2HG2 ILE 71 4.641 -13.419 -0.441 481 HG23 ILE 71 3HG2 ILE 71 4.788 -13.330 1.314 482 HD11 ILE 71 1HD1 ILE 71 6.214 -11.729 -2.693 483 HD12 ILE 71 2HD1 ILE 71 7.081 -11.001 -1.340 484 HD13 ILE 71 3HD1 ILE 71 6.402 -12.622 -1.184 485 HA PRO 72 HA PRO 72 1.482 -11.242 4.503 486 HB2 PRO 72 1HB PRO 72 -0.884 -12.436 3.913 487 HB3 PRO 72 2HB PRO 72 -0.658 -10.683 3.882 488 HG2 PRO 72 1HG PRO 72 -0.649 -12.636 1.613 489 HG3 PRO 72 2HG PRO 72 -1.407 -11.035 1.708 490 HD2 PRO 72 1HD PRO 72 0.951 -11.458 0.445 491 HD3 PRO 72 2HD PRO 72 0.571 -9.934 1.274 492 H PHE 73 H PHE 73 0.798 -13.190 5.741 493 HA PHE 73 HA PHE 73 1.891 -15.647 4.534 494 HB2 PHE 73 1HB PHE 73 2.071 -14.684 7.394 495 HB3 PHE 73 2HB PHE 73 2.548 -16.293 6.865 496 HD1 PHE 73 1HD PHE 73 3.126 -12.796 5.685 497 HD2 PHE 73 2HD PHE 73 4.809 -16.574 6.692 498 HE1 PHE 73 1HE PHE 73 5.366 -11.942 5.131 499 HE2 PHE 73 2HE PHE 73 7.052 -15.726 6.140 500 HZ PHE 73 HZ PHE 73 7.333 -13.407 5.359 501 H ALA 74 H ALA 74 -0.802 -14.156 5.921 502 HA ALA 74 HA ALA 74 -2.232 -16.701 5.951 503 HB1 ALA 74 1HB ALA 74 -3.370 -15.628 8.129 504 HB2 ALA 74 2HB ALA 74 -2.009 -16.748 8.200 505 HB3 ALA 74 3HB ALA 74 -1.728 -15.011 8.320 506 HA PRO 75 HA PRO 75 -5.299 -14.298 3.901 507 HB2 PRO 75 1HB PRO 75 -7.454 -15.893 4.330 508 HB3 PRO 75 2HB PRO 75 -6.171 -16.299 3.184 509 HG2 PRO 75 1HG PRO 75 -6.587 -17.272 5.985 510 HG3 PRO 75 2HG PRO 75 -6.116 -18.187 4.541 511 HD2 PRO 75 1HD PRO 75 -4.325 -17.390 6.409 512 HD3 PRO 75 2HD PRO 75 -3.912 -17.528 4.688 513 H GLY 76 H GLY 76 -7.029 -12.899 4.304 514 HA2 GLY 76 1HA GLY 76 -8.840 -12.681 6.238 515 HA3 GLY 76 2HA GLY 76 -7.387 -12.229 7.117 516 H ASP 77 H ASP 77 -8.661 -10.213 7.405 517 HA ASP 77 HA ASP 77 -8.676 -8.482 5.044 518 HB2 ASP 77 1HB ASP 77 -9.823 -6.895 6.775 519 HB3 ASP 77 2HB ASP 77 -10.729 -8.247 6.101 520 H TYR 78 H TYR 78 -6.833 -7.440 4.678 521 HA TYR 78 HA TYR 78 -5.175 -6.606 6.944 522 HB2 TYR 78 1HB TYR 78 -4.635 -6.995 4.012 523 HB3 TYR 78 2HB TYR 78 -3.535 -6.056 5.015 524 HD1 TYR 78 1HD TYR 78 -5.191 -9.393 4.846 525 HD2 TYR 78 2HD TYR 78 -1.840 -7.137 6.181 526 HE1 TYR 78 1HE TYR 78 -4.089 -11.469 5.567 527 HE2 TYR 78 2HE TYR 78 -0.727 -9.208 6.905 528 HH TYR 78 HH TYR 78 -2.312 -12.368 6.543 529 H ASP 79 H ASP 79 -4.170 -4.463 6.871 530 HA ASP 79 HA ASP 79 -5.793 -2.459 5.458 531 HB2 ASP 79 1HB ASP 79 -5.234 -2.680 8.381 532 HB3 ASP 79 2HB ASP 79 -5.305 -1.072 7.666 533 H VAL 80 H VAL 80 -4.320 -1.809 3.983 534 HA VAL 80 HA VAL 80 -1.541 -1.519 4.542 535 HB VAL 80 HB VAL 80 -3.133 -0.383 2.239 536 HG11 VAL 80 1HG1 VAL 80 -0.602 0.290 2.963 537 HG12 VAL 80 2HG1 VAL 80 -0.302 -1.065 1.873 538 HG13 VAL 80 3HG1 VAL 80 -1.217 0.335 1.311 539 HG21 VAL 80 1HG2 VAL 80 -1.476 -2.665 1.630 540 HG22 VAL 80 2HG2 VAL 80 -2.654 -3.055 2.883 541 HG23 VAL 80 3HG2 VAL 80 -3.196 -2.415 1.332 542 H ASN 81 H ASN 81 -0.799 -0.012 5.887 543 HA ASN 81 HA ASN 81 -2.142 2.574 6.064 544 HB2 ASN 81 1HB ASN 81 0.014 1.276 7.736 545 HB3 ASN 81 2HB ASN 81 -0.541 2.928 7.990 546 HD21 ASN 81 1HD2 ASN 81 -1.466 -0.443 8.062 547 HD22 ASN 81 2HD2 ASN 81 -2.829 -0.245 9.104 548 H ILE 82 H ILE 82 -1.464 4.230 4.890 549 HA ILE 82 HA ILE 82 1.388 4.371 4.163 550 HB ILE 82 HB ILE 82 -0.926 5.272 2.445 551 HG12 ILE 82 1HG1 ILE 82 0.972 3.088 1.685 552 HG13 ILE 82 2HG1 ILE 82 -0.354 2.718 2.782 553 HG21 ILE 82 1HG2 ILE 82 1.889 5.884 2.427 554 HG22 ILE 82 2HG2 ILE 82 1.410 5.081 0.933 555 HG23 ILE 82 3HG2 ILE 82 0.587 6.555 1.444 556 HD11 ILE 82 1HD1 ILE 82 -0.423 2.760 0.006 557 HD12 ILE 82 2HD1 ILE 82 -1.794 2.625 1.107 558 HD13 ILE 82 3HD1 ILE 82 -1.295 4.208 0.509 559 H THR 83 H THR 83 2.394 6.167 4.777 560 HA THR 83 HA THR 83 0.823 8.611 5.211 561 HB THR 83 HB THR 83 2.319 9.058 7.231 562 HG1 THR 83 1HG THR 83 3.233 7.225 8.193 563 HG21 THR 83 1HG2 THR 83 0.162 6.969 7.178 564 HG22 THR 83 2HG2 THR 83 0.064 8.648 7.706 565 HG23 THR 83 3HG2 THR 83 0.921 7.462 8.690 566 H TYR 84 H TYR 84 1.918 10.544 4.866 567 HA TYR 84 HA TYR 84 4.566 10.262 3.602 568 HB2 TYR 84 1HB TYR 84 2.489 10.986 2.205 569 HB3 TYR 84 2HB TYR 84 2.699 12.538 3.008 570 HD1 TYR 84 1HD TYR 84 4.784 10.007 1.204 571 HD2 TYR 84 2HD TYR 84 3.956 14.121 1.905 572 HE1 TYR 84 1HE TYR 84 6.491 10.627 -0.455 573 HE2 TYR 84 2HE TYR 84 5.660 14.753 0.247 574 HH TYR 84 HH TYR 84 7.535 13.912 -0.877 575 H GLY 85 H GLY 85 6.076 10.946 4.978 576 HA2 GLY 85 1HA GLY 85 7.298 12.469 6.213 577 HA3 GLY 85 2HA GLY 85 6.036 13.657 5.920 578 H GLY 86 H GLY 86 3.915 13.121 7.142 579 HA2 GLY 86 1HA GLY 86 4.190 11.713 9.628 580 HA3 GLY 86 2HA GLY 86 4.278 13.456 9.834 581 H ALA 87 H ALA 87 2.329 12.173 7.281 582 HA ALA 87 HA ALA 87 -0.099 12.475 8.903 583 HB1 ALA 87 1HB ALA 87 -1.078 13.607 6.772 584 HB2 ALA 87 2HB ALA 87 -0.132 14.559 7.917 585 HB3 ALA 87 3HB ALA 87 0.610 13.983 6.424 586 H HIS 88 H HIS 88 -2.058 11.653 7.710 587 HA HIS 88 HA HIS 88 -1.320 9.206 6.261 588 HB2 HIS 88 1HB HIS 88 -3.611 9.940 8.046 589 HB3 HIS 88 2HB HIS 88 -3.820 8.660 6.855 590 HD1 HIS 88 1HD HIS 88 -2.800 6.409 7.375 591 HD2 HIS 88 2HD HIS 88 -1.660 9.363 10.064 592 HE1 HIS 88 1HE HIS 88 -1.614 5.202 9.236 593 HE2 HIS 88 2HE HIS 88 -1.009 7.001 10.892 594 H ILE 89 H ILE 89 -1.864 8.941 4.192 595 HA ILE 89 HA ILE 89 -3.009 11.070 2.704 596 HB ILE 89 HB ILE 89 -2.884 9.576 0.777 597 HG12 ILE 89 1HG1 ILE 89 -1.806 7.405 2.550 598 HG13 ILE 89 2HG1 ILE 89 -3.537 7.540 2.264 599 HG21 ILE 89 1HG2 ILE 89 -0.468 9.428 2.574 600 HG22 ILE 89 2HG2 ILE 89 -0.463 9.127 0.837 601 HG23 ILE 89 3HG2 ILE 89 -0.866 10.730 1.453 602 HD11 ILE 89 1HD1 ILE 89 -1.407 7.147 0.177 603 HD12 ILE 89 2HD1 ILE 89 -2.562 5.943 0.748 604 HD13 ILE 89 3HD1 ILE 89 -3.128 7.351 -0.150 605 HA PRO 90 HA PRO 90 -7.309 10.186 2.894 606 HB2 PRO 90 1HB PRO 90 -8.105 11.103 0.466 607 HB3 PRO 90 2HB PRO 90 -7.631 12.175 1.790 608 HG2 PRO 90 1HG PRO 90 -6.038 11.269 -0.577 609 HG3 PRO 90 2HG PRO 90 -6.151 12.885 0.143 610 HD2 PRO 90 1HD PRO 90 -4.066 11.223 0.613 611 HD3 PRO 90 2HD PRO 90 -4.659 12.378 1.825 612 H GLY 91 H GLY 91 -7.280 7.900 2.928 613 HA2 GLY 91 1HA GLY 91 -8.747 6.445 1.283 614 HA3 GLY 91 2HA GLY 91 -7.250 6.498 0.364 615 H SER 92 H SER 92 -6.079 6.613 3.320 616 HA SER 92 HA SER 92 -5.961 3.681 3.570 617 HB2 SER 92 1HB SER 92 -3.753 4.199 3.253 618 HB3 SER 92 2HB SER 92 -3.934 5.831 3.896 619 HG SER 92 HG SER 92 -3.480 5.123 5.835 620 HA PRO 93 HA PRO 93 -4.766 2.411 5.175 621 HB2 PRO 93 1HB PRO 93 -6.016 0.354 6.430 622 HB3 PRO 93 2HB PRO 93 -4.796 1.361 7.218 623 HG2 PRO 93 1HG PRO 93 -7.780 1.511 7.399 624 HG3 PRO 93 2HG PRO 93 -6.573 1.651 8.690 625 HD2 PRO 93 1HD PRO 93 -7.775 3.808 7.581 626 HD3 PRO 93 2HD PRO 93 -6.108 3.852 8.190 627 H PHE 94 H PHE 94 -5.112 0.807 3.613 628 HA PHE 94 HA PHE 94 -7.757 0.917 2.346 629 HB2 PHE 94 1HB PHE 94 -5.038 0.179 1.252 630 HB3 PHE 94 2HB PHE 94 -6.534 0.001 0.341 631 HD1 PHE 94 2HD PHE 94 -4.408 2.496 2.073 632 HD2 PHE 94 1HD PHE 94 -7.428 1.797 -0.844 633 HE1 PHE 94 2HE PHE 94 -4.228 4.835 1.331 634 HE2 PHE 94 1HE PHE 94 -7.252 4.135 -1.591 635 HZ PHE 94 HZ PHE 94 -5.651 5.657 -0.503 636 H ARG 95 H ARG 95 -9.006 -0.681 3.105 637 HA ARG 95 HA ARG 95 -8.076 -3.161 4.063 638 HB2 ARG 95 1HB ARG 95 -10.352 -1.948 4.434 639 HB3 ARG 95 2HB ARG 95 -10.847 -2.794 2.974 640 HG2 ARG 95 1HG ARG 95 -9.629 -4.294 5.254 641 HG3 ARG 95 2HG ARG 95 -11.337 -3.850 5.274 642 HD2 ARG 95 1HD ARG 95 -10.082 -5.287 2.953 643 HD3 ARG 95 2HD ARG 95 -10.732 -6.149 4.348 644 HE ARG 95 HE ARG 95 -12.218 -5.049 2.213 645 HH11 ARG 95 1HH1 ARG 95 -12.301 -5.453 5.670 646 HH12 ARG 95 2HH1 ARG 95 -14.031 -5.440 5.760 647 HH21 ARG 95 1HH2 ARG 95 -14.496 -5.031 2.319 648 HH22 ARG 95 2HH2 ARG 95 -15.279 -5.201 3.854 649 H VAL 96 H VAL 96 -7.542 -4.993 3.059 650 HA VAL 96 HA VAL 96 -8.400 -5.385 0.273 651 HB VAL 96 HB VAL 96 -5.629 -6.081 1.236 652 HG11 VAL 96 1HG1 VAL 96 -5.146 -6.312 -1.140 653 HG12 VAL 96 2HG1 VAL 96 -6.480 -7.366 -0.669 654 HG13 VAL 96 3HG1 VAL 96 -6.805 -5.863 -1.533 655 HG21 VAL 96 1HG2 VAL 96 -4.940 -3.990 0.937 656 HG22 VAL 96 2HG2 VAL 96 -5.669 -3.934 -0.668 657 HG23 VAL 96 3HG2 VAL 96 -6.624 -3.501 0.750 658 HA PRO 97 HA PRO 97 -9.657 -9.259 2.086 659 HB2 PRO 97 1HB PRO 97 -10.713 -10.294 -0.191 660 HB3 PRO 97 2HB PRO 97 -11.543 -9.078 0.787 661 HG2 PRO 97 1HG PRO 97 -9.942 -8.725 -1.718 662 HG3 PRO 97 2HG PRO 97 -11.487 -7.982 -1.263 663 HD2 PRO 97 1HD PRO 97 -9.123 -6.677 -1.051 664 HD3 PRO 97 2HD PRO 97 -10.474 -6.393 0.065 665 H VAL 98 H VAL 98 -7.716 -10.281 2.524 666 HA VAL 98 HA VAL 98 -6.099 -11.350 0.371 667 HB VAL 98 HB VAL 98 -5.810 -11.657 3.363 668 HG11 VAL 98 1HG1 VAL 98 -4.784 -13.451 1.878 669 HG12 VAL 98 2HG1 VAL 98 -3.703 -12.187 1.287 670 HG13 VAL 98 3HG1 VAL 98 -3.698 -12.625 2.996 671 HG21 VAL 98 1HG2 VAL 98 -4.472 -9.806 1.396 672 HG22 VAL 98 2HG2 VAL 98 -5.539 -9.356 2.726 673 HG23 VAL 98 3HG2 VAL 98 -3.947 -10.035 3.064 674 H LYS 99 H LYS 99 -6.799 -13.118 -0.634 675 HA LYS 99 HA LYS 99 -8.120 -15.220 0.940 676 HB2 LYS 99 1HB LYS 99 -8.073 -14.923 -2.065 677 HB3 LYS 99 2HB LYS 99 -9.081 -16.012 -1.122 678 HG2 LYS 99 1HG LYS 99 -10.452 -14.292 -0.368 679 HG3 LYS 99 2HG LYS 99 -9.264 -13.047 -0.758 680 HD2 LYS 99 1HD LYS 99 -9.689 -13.217 -3.067 681 HD3 LYS 99 2HD LYS 99 -10.544 -14.750 -2.879 682 HE2 LYS 99 1HE LYS 99 -12.375 -13.648 -1.772 683 HE3 LYS 99 2HE LYS 99 -11.500 -12.118 -1.761 684 HZ1 LYS 99 1HZ LYS 99 -13.208 -12.316 -3.533 685 HZ2 LYS 99 2HZ LYS 99 -12.285 -13.544 -4.241 686 HZ3 LYS 99 3HZ LYS 99 -11.655 -11.979 -4.115 687 H ASP 100 H ASP 100 -7.596 -17.454 0.453 688 HA ASP 100 HA ASP 100 -4.738 -17.766 -0.100 689 HB2 ASP 100 1HB ASP 100 -5.220 -20.131 0.821 690 HB3 ASP 100 2HB ASP 100 -5.248 -18.779 1.949 691 H VAL 101 H VAL 101 -4.026 -18.641 -1.929 692 HA VAL 101 HA VAL 101 -5.519 -19.138 -4.158 693 HB VAL 101 HB VAL 101 -2.951 -20.542 -3.409 694 HG11 VAL 101 1HG1 VAL 101 -2.727 -20.531 -5.983 695 HG12 VAL 101 2HG1 VAL 101 -3.755 -21.749 -5.225 696 HG13 VAL 101 3HG1 VAL 101 -4.478 -20.326 -5.976 697 HG21 VAL 101 1HG2 VAL 101 -1.781 -18.729 -4.131 698 HG22 VAL 101 2HG2 VAL 101 -3.031 -18.235 -5.273 699 HG23 VAL 101 3HG2 VAL 101 -3.226 -17.900 -3.552 700 H VAL 102 H VAL 102 -4.579 -21.485 -1.674 701 HA VAL 102 HA VAL 102 -6.539 -23.364 -2.825 702 HB VAL 102 HB VAL 102 -5.218 -25.207 -1.896 703 HG11 VAL 102 1HG1 VAL 102 -3.326 -25.085 -3.448 704 HG12 VAL 102 2HG1 VAL 102 -4.819 -24.518 -4.198 705 HG13 VAL 102 3HG1 VAL 102 -3.608 -23.357 -3.653 706 HG21 VAL 102 1HG2 VAL 102 -3.460 -22.971 -0.944 707 HG22 VAL 102 2HG2 VAL 102 -4.122 -24.327 -0.030 708 HG23 VAL 102 3HG2 VAL 102 -2.824 -24.597 -1.193 709 H ASP 103 H ASP 103 -8.096 -24.139 -1.519 710 HA ASP 103 HA ASP 103 -8.599 -22.896 0.968 711 HB2 ASP 103 1HB ASP 103 -9.840 -25.428 -0.126 712 HB3 ASP 103 2HB ASP 103 -10.509 -24.394 1.133 713 HA PRO 104 HA PRO 104 -6.291 -25.379 3.771 714 HB2 PRO 104 1HB PRO 104 -7.752 -24.977 6.023 715 HB3 PRO 104 2HB PRO 104 -6.699 -23.740 5.327 716 HG2 PRO 104 1HG PRO 104 -9.666 -24.060 5.080 717 HG3 PRO 104 2HG PRO 104 -8.718 -22.586 5.354 718 HD2 PRO 104 1HD PRO 104 -9.695 -23.260 2.919 719 HD3 PRO 104 2HD PRO 104 -8.169 -22.375 3.125 720 H SER 105 H SER 105 -6.521 -27.503 3.161 721 HA SER 105 HA SER 105 -8.724 -28.969 4.443 722 HB2 SER 105 1HB SER 105 -9.006 -30.380 2.507 723 HB3 SER 105 2HB SER 105 -9.129 -28.702 1.980 724 HG SER 105 HG SER 105 -6.666 -29.115 1.675
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