NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
549395 | 2lvk | 18573 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H ALA 1 0.534 -1.546 0.830 2 HA ALA 1 HA ALA 1 1.770 -1.059 -1.736 3 HB1 ALA 1 1HB ALA 1 2.941 0.764 -0.567 4 HB2 ALA 1 2HB ALA 1 1.193 0.832 -0.341 5 HB3 ALA 1 3HB ALA 1 2.227 0.226 0.953 6 H ASP 2 H ASP 2 3.829 -1.527 -2.343 7 HA ASP 2 HA ASP 2 5.457 -3.078 -0.437 8 HB2 ASP 2 1HB ASP 2 4.765 -3.574 -3.288 9 HB3 ASP 2 2HB ASP 2 6.394 -3.995 -2.767 10 H ASP 3 H ASP 3 6.542 -1.163 0.212 11 HA ASP 3 HA ASP 3 7.831 0.601 -1.571 12 HB2 ASP 3 1HB ASP 3 8.776 0.029 1.234 13 HB3 ASP 3 2HB ASP 3 8.881 1.539 0.333 14 H MET 4 H MET 4 8.791 -2.441 -0.132 15 HA MET 4 HA MET 4 11.552 -2.296 -0.659 16 HB2 MET 4 1HB MET 4 9.727 -4.697 -0.446 17 HB3 MET 4 2HB MET 4 11.483 -4.784 -0.487 18 HG2 MET 4 1HG MET 4 9.932 -3.272 1.597 19 HG3 MET 4 2HG MET 4 10.471 -4.939 1.784 20 HE1 MET 4 3HE MET 4 13.235 -5.510 2.479 21 HE2 MET 4 1HE MET 4 12.945 -5.385 0.743 22 HE3 MET 4 2HE MET 4 14.326 -4.561 1.468 23 H GLU 5 H GLU 5 8.838 -2.856 -2.708 24 HA GLU 5 HA GLU 5 10.140 -4.275 -4.784 25 HB2 GLU 5 1HB GLU 5 7.718 -4.247 -4.621 26 HB3 GLU 5 2HB GLU 5 7.693 -2.503 -4.842 27 HG2 GLU 5 1HG GLU 5 8.385 -2.688 -7.099 28 HG3 GLU 5 2HG GLU 5 8.765 -4.399 -6.910 29 H ARG 6 H ARG 6 9.147 -0.848 -4.653 30 HA ARG 6 HA ARG 6 10.454 -0.014 -6.956 31 HB2 ARG 6 1HB ARG 6 10.441 2.269 -5.852 32 HB3 ARG 6 2HB ARG 6 8.883 1.462 -5.978 33 HG2 ARG 6 1HG ARG 6 8.989 0.811 -3.654 34 HG3 ARG 6 2HG ARG 6 10.605 1.504 -3.509 35 HD2 ARG 6 1HD ARG 6 8.957 3.025 -2.588 36 HD3 ARG 6 2HD ARG 6 9.685 3.720 -4.035 37 HE ARG 6 HE ARG 6 7.471 2.522 -5.000 38 HH11 ARG 6 1HH1 ARG 6 8.010 4.732 -2.365 39 HH12 ARG 6 2HH1 ARG 6 6.445 5.466 -2.489 40 HH21 ARG 6 1HH2 ARG 6 5.408 3.480 -5.173 41 HH22 ARG 6 2HH2 ARG 6 4.966 4.753 -4.086 42 H ILE 7 H ILE 7 11.650 -0.234 -3.637 43 HA ILE 7 HA ILE 7 14.184 0.945 -4.196 44 HB ILE 7 HB ILE 7 13.337 -0.828 -1.902 45 HG12 ILE 7 1HG1 ILE 7 13.819 2.100 -1.631 46 HG13 ILE 7 2HG1 ILE 7 12.330 1.588 -2.419 47 HG21 ILE 7 1HG2 ILE 7 15.898 0.474 -2.589 48 HG22 ILE 7 2HG2 ILE 7 15.375 0.597 -0.910 49 HG23 ILE 7 3HG2 ILE 7 15.581 -0.988 -1.655 50 HD11 ILE 7 3HD1 ILE 7 13.125 1.448 0.397 51 HD12 ILE 7 1HD1 ILE 7 11.526 1.592 -0.332 52 HD13 ILE 7 2HD1 ILE 7 12.307 0.015 -0.224 53 H PHE 8 H PHE 8 12.906 -2.308 -4.291 54 HA PHE 8 HA PHE 8 15.325 -3.732 -4.334 55 HB2 PHE 8 1HB PHE 8 13.293 -4.938 -3.980 56 HB3 PHE 8 2HB PHE 8 12.610 -4.356 -5.495 57 HD1 PHE 8 HD2 PHE 8 15.086 -6.626 -3.996 58 HD2 PHE 8 HD1 PHE 8 13.096 -5.422 -7.561 59 HE1 PHE 8 HE2 PHE 8 15.934 -8.631 -5.142 60 HE2 PHE 8 HE1 PHE 8 13.940 -7.426 -8.713 61 HZ PHE 8 HZ PHE 8 15.362 -9.033 -7.504 62 H LYS 9 H LYS 9 13.696 -1.870 -6.759 63 HA LYS 9 HA LYS 9 14.958 -2.992 -9.040 64 HB2 LYS 9 1HB LYS 9 13.976 -0.152 -8.830 65 HB3 LYS 9 2HB LYS 9 14.047 -1.175 -10.258 66 HG2 LYS 9 1HG LYS 9 12.182 -1.465 -7.915 67 HG3 LYS 9 2HG LYS 9 11.768 -0.964 -9.556 68 HD2 LYS 9 1HD LYS 9 12.860 -3.664 -8.762 69 HD3 LYS 9 2HD LYS 9 11.172 -3.308 -9.139 70 HE2 LYS 9 1HE LYS 9 11.865 -2.607 -11.404 71 HE3 LYS 9 2HE LYS 9 13.523 -3.062 -11.014 72 HZ1 LYS 9 3HZ LYS 9 12.485 -4.834 -12.213 73 HZ2 LYS 9 1HZ LYS 9 11.173 -4.871 -11.145 74 HZ3 LYS 9 2HZ LYS 9 12.709 -5.341 -10.615 75 H ARG 10 H ARG 10 15.966 -0.737 -6.629 76 HA ARG 10 HA ARG 10 18.101 0.394 -8.209 77 HB2 ARG 10 1HB ARG 10 17.712 0.578 -5.220 78 HB3 ARG 10 2HB ARG 10 18.675 1.641 -6.237 79 HG2 ARG 10 1HG ARG 10 15.686 1.357 -6.446 80 HG3 ARG 10 2HG ARG 10 16.508 2.607 -5.509 81 HD2 ARG 10 1HD ARG 10 17.260 2.253 -8.365 82 HD3 ARG 10 2HD ARG 10 15.720 3.028 -7.996 83 HE ARG 10 HE ARG 10 17.898 4.146 -6.517 84 HH11 ARG 10 1HH1 ARG 10 16.249 4.183 -9.583 85 HH12 ARG 10 2HH1 ARG 10 16.745 5.796 -9.978 86 HH21 ARG 10 1HH2 ARG 10 18.558 6.270 -7.026 87 HH22 ARG 10 2HH2 ARG 10 18.059 6.981 -8.523 88 H PHE 11 H PHE 11 17.965 -1.640 -5.280 89 HA PHE 11 HA PHE 11 20.683 -2.202 -5.108 90 HB2 PHE 11 1HB PHE 11 18.245 -3.732 -4.220 91 HB3 PHE 11 2HB PHE 11 19.872 -4.332 -3.916 92 HD1 PHE 11 HD1 PHE 11 17.695 -1.370 -3.377 93 HD2 PHE 11 HD2 PHE 11 21.037 -3.638 -2.036 94 HE1 PHE 11 HE1 PHE 11 17.823 0.022 -1.352 95 HE2 PHE 11 HE2 PHE 11 21.171 -2.251 -0.009 96 HZ PHE 11 HZ PHE 11 19.562 -0.418 0.336 97 H ASP 12 H ASP 12 18.209 -3.595 -7.136 98 HA ASP 12 HA ASP 12 19.976 -5.723 -8.046 99 HB2 ASP 12 1HB ASP 12 17.642 -6.302 -7.700 100 HB3 ASP 12 2HB ASP 12 17.131 -5.024 -8.799 101 H THR 13 H THR 13 21.386 -3.754 -8.749 102 HA THR 13 HA THR 13 20.756 -2.208 -10.978 103 HB THR 13 HB THR 13 23.428 -3.233 -10.014 104 HG1 THR 13 HG1 THR 13 22.142 -0.692 -9.839 105 HG21 THR 13 3HG2 THR 13 22.841 -1.196 -12.166 106 HG22 THR 13 1HG2 THR 13 23.625 -2.760 -12.387 107 HG23 THR 13 2HG2 THR 13 24.429 -1.494 -11.459 108 H ASN 14 H ASN 14 21.487 -5.559 -10.748 109 HA ASN 14 HA ASN 14 22.274 -5.855 -13.511 110 HB2 ASN 14 1HB ASN 14 23.284 -7.406 -12.031 111 HB3 ASN 14 2HB ASN 14 21.745 -7.807 -11.275 112 HD21 ASN 14 2HD2 ASN 14 22.298 -7.485 -14.720 113 HD22 ASN 14 1HD2 ASN 14 22.030 -9.147 -15.110 114 H GLY 15 H GLY 15 19.359 -5.542 -11.853 115 HA2 GLY 15 1HA GLY 15 17.161 -5.951 -12.402 116 HA3 GLY 15 2HA GLY 15 17.705 -5.619 -14.040 117 H ASP 16 H ASP 16 18.470 -8.330 -11.879 118 HA ASP 16 HA ASP 16 17.317 -10.135 -13.905 119 HB2 ASP 16 1HB ASP 16 19.199 -11.356 -13.918 120 HB3 ASP 16 2HB ASP 16 19.956 -10.018 -13.058 121 H GLY 17 H GLY 17 17.145 -9.038 -10.719 122 HA2 GLY 17 1HA GLY 17 15.227 -9.665 -9.395 123 HA3 GLY 17 2HA GLY 17 15.376 -11.294 -10.035 124 H LYS 18 H LYS 18 18.339 -9.843 -9.205 125 HA LYS 18 HA LYS 18 18.322 -10.762 -6.456 126 HB2 LYS 18 1HB LYS 18 20.360 -11.939 -8.339 127 HB3 LYS 18 2HB LYS 18 20.037 -12.391 -6.671 128 HG2 LYS 18 1HG LYS 18 17.846 -13.264 -7.342 129 HG3 LYS 18 2HG LYS 18 18.203 -12.840 -9.018 130 HD2 LYS 18 1HD LYS 18 20.308 -14.424 -7.775 131 HD3 LYS 18 2HD LYS 18 18.750 -15.253 -7.801 132 HE2 LYS 18 1HE LYS 18 18.863 -14.199 -10.312 133 HE3 LYS 18 2HE LYS 18 20.561 -14.557 -10.001 134 HZ1 LYS 18 3HZ LYS 18 20.191 -16.724 -10.215 135 HZ2 LYS 18 1HZ LYS 18 18.670 -16.332 -10.844 136 HZ3 LYS 18 2HZ LYS 18 18.837 -16.692 -9.200 137 H ILE 19 H ILE 19 20.347 -10.232 -5.327 138 HA ILE 19 HA ILE 19 21.726 -7.961 -6.604 139 HB ILE 19 HB ILE 19 21.542 -8.214 -3.630 140 HG12 ILE 19 1HG1 ILE 19 19.233 -8.427 -4.316 141 HG13 ILE 19 2HG1 ILE 19 19.489 -6.799 -3.698 142 HG21 ILE 19 1HG2 ILE 19 22.180 -6.132 -5.631 143 HG22 ILE 19 2HG2 ILE 19 21.360 -5.605 -4.162 144 HG23 ILE 19 3HG2 ILE 19 22.903 -6.452 -4.056 145 HD11 ILE 19 3HD1 ILE 19 19.964 -6.821 -6.510 146 HD12 ILE 19 1HD1 ILE 19 18.404 -7.568 -6.169 147 HD13 ILE 19 2HD1 ILE 19 18.746 -5.938 -5.590 148 H SER 20 H SER 20 23.809 -8.284 -6.972 149 HA SER 20 HA SER 20 25.215 -10.354 -5.432 150 HB2 SER 20 1HB SER 20 25.034 -10.066 -8.139 151 HB3 SER 20 2HB SER 20 26.550 -9.228 -7.808 152 HG SER 20 HG SER 20 27.009 -11.384 -8.122 153 H LEU 21 H LEU 21 27.818 -9.653 -5.883 154 HA LEU 21 HA LEU 21 28.212 -7.612 -3.933 155 HB2 LEU 21 1HB LEU 21 30.382 -8.655 -5.709 156 HB3 LEU 21 2HB LEU 21 30.475 -8.143 -4.025 157 HG LEU 21 HG LEU 21 29.337 -10.717 -5.103 158 HD11 LEU 21 1HD1 LEU 21 31.258 -11.666 -4.492 159 HD12 LEU 21 2HD1 LEU 21 31.292 -10.805 -2.953 160 HD13 LEU 21 3HD1 LEU 21 31.912 -10.030 -4.411 161 HD21 LEU 21 3HD2 LEU 21 27.983 -10.785 -3.344 162 HD22 LEU 21 1HD2 LEU 21 28.632 -9.268 -2.722 163 HD23 LEU 21 2HD2 LEU 21 29.409 -10.795 -2.306 164 H SER 22 H SER 22 28.013 -7.654 -7.367 165 HA SER 22 HA SER 22 29.424 -5.156 -7.734 166 HB2 SER 22 1HB SER 22 28.878 -7.279 -9.393 167 HB3 SER 22 2HB SER 22 27.717 -6.070 -9.941 168 HG SER 22 HG SER 22 29.427 -5.445 -11.042 169 H GLU 23 H GLU 23 26.114 -6.273 -7.468 170 HA GLU 23 HA GLU 23 25.019 -3.685 -8.173 171 HB2 GLU 23 1HB GLU 23 23.544 -6.055 -7.027 172 HB3 GLU 23 2HB GLU 23 22.864 -4.698 -7.913 173 HG2 GLU 23 1HG GLU 23 23.758 -5.439 -9.952 174 HG3 GLU 23 2HG GLU 23 24.845 -6.575 -9.155 175 H LEU 24 H LEU 24 24.913 -5.783 -5.290 176 HA LEU 24 HA LEU 24 23.674 -4.099 -3.523 177 HB2 LEU 24 1HB LEU 24 24.623 -6.503 -3.239 178 HB3 LEU 24 2HB LEU 24 26.057 -5.674 -2.637 179 HG LEU 24 HG LEU 24 23.401 -5.047 -1.429 180 HD11 LEU 24 1HD1 LEU 24 24.910 -7.184 -0.110 181 HD12 LEU 24 2HD1 LEU 24 24.142 -7.652 -1.627 182 HD13 LEU 24 3HD1 LEU 24 23.171 -6.979 -0.318 183 HD21 LEU 24 3HD2 LEU 24 25.796 -4.000 -0.986 184 HD22 LEU 24 1HD2 LEU 24 25.932 -5.399 0.080 185 HD23 LEU 24 2HD2 LEU 24 24.625 -4.237 0.312 186 H THR 25 H THR 25 27.174 -4.270 -4.154 187 HA THR 25 HA THR 25 28.059 -2.337 -2.403 188 HB THR 25 HB THR 25 29.561 -3.738 -3.776 189 HG1 THR 25 HG1 THR 25 31.093 -2.240 -3.647 190 HG21 THR 25 3HG2 THR 25 28.134 -3.168 -5.905 191 HG22 THR 25 1HG2 THR 25 29.863 -3.484 -6.048 192 HG23 THR 25 2HG2 THR 25 29.267 -1.824 -6.050 193 H ASP 26 H ASP 26 26.642 -1.914 -5.608 194 HA ASP 26 HA ASP 26 27.146 0.791 -5.994 195 HB2 ASP 26 1HB ASP 26 25.654 -1.193 -7.282 196 HB3 ASP 26 2HB ASP 26 24.489 0.074 -6.905 197 H ALA 27 H ALA 27 24.924 -0.777 -3.850 198 HA ALA 27 HA ALA 27 23.377 1.624 -3.357 199 HB1 ALA 27 1HB ALA 27 22.958 -1.136 -2.996 200 HB2 ALA 27 2HB ALA 27 22.921 -0.403 -1.393 201 HB3 ALA 27 3HB ALA 27 21.841 0.186 -2.656 202 H LEU 28 H LEU 28 25.355 -0.536 -1.312 203 HA LEU 28 HA LEU 28 25.475 1.153 0.907 204 HB2 LEU 28 1HB LEU 28 27.675 -0.725 0.091 205 HB3 LEU 28 2HB LEU 28 27.215 -0.231 1.719 206 HG LEU 28 HG LEU 28 25.762 -2.125 -0.116 207 HD11 LEU 28 1HD1 LEU 28 26.071 -3.209 2.418 208 HD12 LEU 28 2HD1 LEU 28 27.600 -2.392 2.099 209 HD13 LEU 28 3HD1 LEU 28 27.001 -3.612 0.975 210 HD21 LEU 28 3HD2 LEU 28 23.981 -0.969 0.820 211 HD22 LEU 28 1HD2 LEU 28 24.828 -0.695 2.343 212 HD23 LEU 28 2HD2 LEU 28 24.219 -2.303 1.950 213 H ARG 29 H ARG 29 27.077 1.343 -2.117 214 HA ARG 29 HA ARG 29 29.197 3.069 -1.127 215 HB2 ARG 29 1HB ARG 29 30.133 2.955 -3.284 216 HB3 ARG 29 2HB ARG 29 29.474 1.351 -2.996 217 HG2 ARG 29 1HG ARG 29 28.678 1.668 -5.087 218 HG3 ARG 29 2HG ARG 29 27.363 2.437 -4.196 219 HD2 ARG 29 1HD ARG 29 27.745 4.228 -5.472 220 HD3 ARG 29 2HD ARG 29 29.189 4.472 -4.491 221 HE ARG 29 HE ARG 29 30.064 2.785 -6.391 222 HH11 ARG 29 1HH1 ARG 29 28.270 5.764 -6.546 223 HH12 ARG 29 2HH1 ARG 29 28.909 6.221 -8.090 224 HH21 ARG 29 1HH2 ARG 29 30.913 3.376 -8.424 225 HH22 ARG 29 2HH2 ARG 29 30.412 4.861 -9.158 226 H THR 30 H THR 30 26.051 3.323 -2.492 227 HA THR 30 HA THR 30 26.411 6.081 -3.337 228 HB THR 30 HB THR 30 23.984 4.280 -3.363 229 HG1 THR 30 HG1 THR 30 24.633 3.827 -5.328 230 HG21 THR 30 3HG2 THR 30 23.294 6.604 -3.047 231 HG22 THR 30 1HG2 THR 30 22.887 6.043 -4.668 232 HG23 THR 30 2HG2 THR 30 24.282 7.093 -4.423 233 H LEU 31 H LEU 31 25.074 4.274 -0.669 234 HA LEU 31 HA LEU 31 24.103 6.774 0.542 235 HB2 LEU 31 1HB LEU 31 23.462 4.117 1.708 236 HB3 LEU 31 2HB LEU 31 22.505 5.596 1.680 237 HG LEU 31 HG LEU 31 22.831 3.552 -0.502 238 HD11 LEU 31 1HD1 LEU 31 20.527 3.203 -0.270 239 HD12 LEU 31 2HD1 LEU 31 20.307 4.684 0.662 240 HD13 LEU 31 3HD1 LEU 31 21.134 3.304 1.384 241 HD21 LEU 31 3HD2 LEU 31 21.041 5.743 -1.115 242 HD22 LEU 31 1HD2 LEU 31 22.326 5.028 -2.089 243 HD23 LEU 31 2HD2 LEU 31 22.707 6.292 -0.919 244 H GLY 32 H GLY 32 26.455 4.283 0.775 245 HA2 GLY 32 1HA GLY 32 27.309 5.365 3.390 246 HA3 GLY 32 2HA GLY 32 27.454 3.663 2.980 247 H SER 33 H SER 33 28.212 4.475 0.169 248 HA SER 33 HA SER 33 30.088 4.921 -1.046 249 HB2 SER 33 1HB SER 33 31.471 6.240 1.247 250 HB3 SER 33 2HB SER 33 31.422 6.704 -0.453 251 HG SER 33 HG SER 33 29.009 7.003 0.189 252 H THR 34 H THR 34 29.778 2.550 0.617 253 HA THR 34 HA THR 34 32.467 1.931 1.537 254 HB THR 34 HB THR 34 30.259 1.180 2.677 255 HG1 THR 34 HG1 THR 34 32.633 0.339 2.833 256 HG21 THR 34 3HG2 THR 34 29.537 0.149 0.383 257 HG22 THR 34 1HG2 THR 34 29.152 -0.688 1.886 258 HG23 THR 34 2HG2 THR 34 30.522 -1.216 0.909 259 H SER 35 H SER 35 32.821 -0.670 0.960 260 HA SER 35 HA SER 35 32.827 -0.778 -1.986 261 HB2 SER 35 1HB SER 35 34.992 -1.856 -0.167 262 HB3 SER 35 2HB SER 35 35.015 -1.811 -1.930 263 HG SER 35 HG SER 35 34.890 0.522 -1.712 264 H ALA 36 H ALA 36 33.698 -3.249 -2.477 265 HA ALA 36 HA ALA 36 31.453 -4.873 -1.820 266 HB1 ALA 36 1HB ALA 36 33.867 -6.156 -2.942 267 HB2 ALA 36 2HB ALA 36 32.181 -6.268 -3.447 268 HB3 ALA 36 3HB ALA 36 33.143 -4.858 -3.892 269 H ASP 37 H ASP 37 34.604 -4.440 -0.460 270 HA ASP 37 HA ASP 37 35.104 -6.840 0.792 271 HB2 ASP 37 1HB ASP 37 35.674 -3.996 1.559 272 HB3 ASP 37 2HB ASP 37 36.096 -5.306 2.658 273 H GLU 38 H GLU 38 32.749 -4.394 1.612 274 HA GLU 38 HA GLU 38 32.028 -5.839 4.058 275 HB2 GLU 38 1HB GLU 38 30.777 -3.263 3.149 276 HB3 GLU 38 2HB GLU 38 30.910 -3.906 4.780 277 HG2 GLU 38 1HG GLU 38 33.199 -2.881 3.117 278 HG3 GLU 38 2HG GLU 38 32.392 -1.998 4.411 279 H VAL 39 H VAL 39 30.954 -5.186 0.838 280 HA VAL 39 HA VAL 39 28.207 -5.665 1.091 281 HB VAL 39 HB VAL 39 30.088 -6.115 -1.220 282 HG11 VAL 39 1HG1 VAL 39 27.114 -6.522 -1.066 283 HG12 VAL 39 2HG1 VAL 39 27.954 -6.213 -2.587 284 HG13 VAL 39 3HG1 VAL 39 28.345 -7.647 -1.637 285 HG21 VAL 39 3HG2 VAL 39 29.667 -3.990 -1.801 286 HG22 VAL 39 1HG2 VAL 39 27.951 -4.129 -1.419 287 HG23 VAL 39 2HG2 VAL 39 29.115 -3.800 -0.137 288 H GLN 40 H GLN 40 30.736 -7.943 0.010 289 HA GLN 40 HA GLN 40 29.178 -10.223 -0.113 290 HB2 GLN 40 1HB GLN 40 31.375 -11.440 0.396 291 HB3 GLN 40 2HB GLN 40 31.339 -10.388 -1.013 292 HG2 GLN 40 1HG GLN 40 32.736 -8.848 -0.078 293 HG3 GLN 40 2HG GLN 40 32.252 -9.245 1.570 294 HE21 GLN 40 2HE2 GLN 40 32.674 -11.883 1.755 295 HE22 GLN 40 1HE2 GLN 40 34.343 -12.259 1.517 296 H ARG 41 H ARG 41 30.383 -8.542 2.659 297 HA ARG 41 HA ARG 41 29.934 -10.754 4.472 298 HB2 ARG 41 1HB ARG 41 30.429 -7.887 5.251 299 HB3 ARG 41 2HB ARG 41 30.764 -9.341 6.181 300 HG2 ARG 41 1HG ARG 41 32.538 -9.946 4.634 301 HG3 ARG 41 2HG ARG 41 32.183 -8.521 3.655 302 HD2 ARG 41 1HD ARG 41 33.129 -7.087 5.154 303 HD3 ARG 41 2HD ARG 41 32.731 -8.102 6.539 304 HE ARG 41 HE ARG 41 34.602 -9.550 5.228 305 HH11 ARG 41 1HH1 ARG 41 34.478 -6.260 6.359 306 HH12 ARG 41 2HH1 ARG 41 36.186 -6.152 6.632 307 HH21 ARG 41 1HH2 ARG 41 36.851 -9.420 5.583 308 HH22 ARG 41 2HH2 ARG 41 37.535 -7.949 6.189 309 H MET 42 H MET 42 28.276 -7.873 3.395 310 HA MET 42 HA MET 42 26.280 -7.934 5.455 311 HB2 MET 42 1HB MET 42 26.750 -5.816 4.458 312 HB3 MET 42 2HB MET 42 26.488 -6.448 2.838 313 HG2 MET 42 1HG MET 42 24.263 -6.206 2.958 314 HG3 MET 42 2HG MET 42 24.195 -6.694 4.649 315 HE1 MET 42 3HE MET 42 26.279 -4.107 6.003 316 HE2 MET 42 1HE MET 42 24.716 -3.675 6.695 317 HE3 MET 42 2HE MET 42 25.143 -5.372 6.475 318 H MET 43 H MET 43 26.460 -8.965 2.072 319 HA MET 43 HA MET 43 23.747 -9.891 2.007 320 HB2 MET 43 1HB MET 43 24.456 -10.925 -0.173 321 HB3 MET 43 2HB MET 43 24.703 -9.187 -0.064 322 HG2 MET 43 1HG MET 43 26.819 -9.468 -0.618 323 HG3 MET 43 2HG MET 43 27.069 -10.407 0.852 324 HE1 MET 43 3HE MET 43 24.645 -11.637 -2.095 325 HE2 MET 43 1HE MET 43 25.805 -10.504 -2.789 326 HE3 MET 43 2HE MET 43 25.879 -12.214 -3.217 327 H ALA 44 H ALA 44 26.806 -11.222 2.916 328 HA ALA 44 HA ALA 44 26.316 -13.955 2.576 329 HB1 ALA 44 1HB ALA 44 28.163 -12.322 4.204 330 HB2 ALA 44 2HB ALA 44 27.908 -13.987 4.730 331 HB3 ALA 44 3HB ALA 44 28.496 -13.658 3.100 332 H GLU 45 H GLU 45 25.245 -11.711 5.026 333 HA GLU 45 HA GLU 45 24.189 -13.863 6.688 334 HB2 GLU 45 1HB GLU 45 23.496 -11.971 8.193 335 HB3 GLU 45 2HB GLU 45 25.228 -12.110 7.925 336 HG2 GLU 45 1HG GLU 45 25.122 -10.309 6.281 337 HG3 GLU 45 2HG GLU 45 23.385 -10.170 6.546 338 H ILE 46 H ILE 46 23.138 -11.437 4.427 339 HA ILE 46 HA ILE 46 20.357 -11.592 5.085 340 HB ILE 46 HB ILE 46 21.744 -10.519 2.628 341 HG12 ILE 46 1HG1 ILE 46 20.441 -9.042 4.920 342 HG13 ILE 46 2HG1 ILE 46 22.169 -9.363 4.819 343 HG21 ILE 46 1HG2 ILE 46 19.589 -9.404 2.150 344 HG22 ILE 46 2HG2 ILE 46 19.497 -11.161 2.041 345 HG23 ILE 46 3HG2 ILE 46 18.853 -10.331 3.457 346 HD11 ILE 46 3HD1 ILE 46 20.614 -7.814 2.765 347 HD12 ILE 46 1HD1 ILE 46 21.512 -7.088 4.098 348 HD13 ILE 46 2HD1 ILE 46 22.364 -8.010 2.859 349 H ASP 47 H ASP 47 22.477 -13.149 2.745 350 HA ASP 47 HA ASP 47 20.569 -14.344 1.107 351 HB2 ASP 47 1HB ASP 47 23.355 -14.441 1.385 352 HB3 ASP 47 2HB ASP 47 22.819 -16.109 1.563 353 H THR 48 H THR 48 18.898 -15.517 1.781 354 HA THR 48 HA THR 48 18.918 -17.017 4.211 355 HB THR 48 HB THR 48 16.908 -17.018 1.951 356 HG1 THR 48 HG1 THR 48 17.311 -15.429 4.224 357 HG21 THR 48 3HG2 THR 48 15.568 -17.707 4.238 358 HG22 THR 48 1HG2 THR 48 17.099 -18.559 4.434 359 HG23 THR 48 2HG2 THR 48 16.111 -18.839 3.000 360 H ASP 49 H ASP 49 19.608 -17.723 0.889 361 HA ASP 49 HA ASP 49 19.810 -20.590 1.543 362 HB2 ASP 49 1HB ASP 49 19.899 -20.576 -1.159 363 HB3 ASP 49 2HB ASP 49 18.408 -20.733 -0.235 364 H GLY 50 H GLY 50 21.550 -17.783 0.817 365 HA2 GLY 50 1HA GLY 50 23.765 -17.377 0.368 366 HA3 GLY 50 2HA GLY 50 24.060 -18.932 1.131 367 H ASP 51 H ASP 51 23.233 -17.392 -1.942 368 HA ASP 51 HA ASP 51 24.618 -19.601 -3.310 369 HB2 ASP 51 1HB ASP 51 22.998 -19.750 -4.976 370 HB3 ASP 51 2HB ASP 51 22.026 -19.498 -3.529 371 H GLY 52 H GLY 52 25.276 -16.748 -2.409 372 HA2 GLY 52 1HA GLY 52 26.862 -15.264 -3.238 373 HA3 GLY 52 2HA GLY 52 26.751 -16.063 -4.800 374 H PHE 53 H PHE 53 23.677 -15.365 -3.746 375 HA PHE 53 HA PHE 53 23.639 -12.643 -4.791 376 HB2 PHE 53 1HB PHE 53 22.122 -14.947 -6.019 377 HB3 PHE 53 2HB PHE 53 21.702 -13.260 -6.300 378 HD1 PHE 53 HD2 PHE 53 24.154 -15.898 -6.937 379 HD2 PHE 53 HD1 PHE 53 23.085 -11.844 -7.670 380 HE1 PHE 53 HE2 PHE 53 25.796 -15.799 -8.766 381 HE2 PHE 53 HE1 PHE 53 24.726 -11.739 -9.501 382 HZ PHE 53 HZ PHE 53 26.084 -13.718 -10.051 383 H ILE 54 H ILE 54 21.827 -11.437 -4.171 384 HA ILE 54 HA ILE 54 20.301 -12.638 -1.965 385 HB ILE 54 HB ILE 54 20.919 -9.756 -2.603 386 HG12 ILE 54 1HG1 ILE 54 22.725 -11.029 -1.524 387 HG13 ILE 54 2HG1 ILE 54 22.073 -9.804 -0.442 388 HG21 ILE 54 1HG2 ILE 54 19.729 -9.821 -0.110 389 HG22 ILE 54 2HG2 ILE 54 18.997 -9.237 -1.603 390 HG23 ILE 54 3HG2 ILE 54 18.730 -10.900 -1.083 391 HD11 ILE 54 3HD1 ILE 54 22.324 -11.662 0.914 392 HD12 ILE 54 1HD1 ILE 54 20.615 -11.703 0.484 393 HD13 ILE 54 2HD1 ILE 54 21.756 -12.772 -0.332 394 H ASP 55 H ASP 55 18.444 -13.452 -2.725 395 HA ASP 55 HA ASP 55 17.043 -12.458 -4.972 396 HB2 ASP 55 1HB ASP 55 15.821 -14.107 -2.762 397 HB3 ASP 55 2HB ASP 55 15.374 -14.070 -4.465 398 H PHE 56 H PHE 56 14.424 -12.251 -4.337 399 HA PHE 56 HA PHE 56 14.321 -9.625 -3.134 400 HB2 PHE 56 1HB PHE 56 13.049 -10.369 -5.231 401 HB3 PHE 56 2HB PHE 56 11.963 -11.213 -4.132 402 HD1 PHE 56 HD1 PHE 56 11.115 -9.684 -2.113 403 HD2 PHE 56 HD2 PHE 56 12.445 -8.266 -5.900 404 HE1 PHE 56 HE1 PHE 56 9.836 -7.608 -1.782 405 HE2 PHE 56 HE2 PHE 56 11.170 -6.188 -5.574 406 HZ PHE 56 HZ PHE 56 9.864 -5.856 -3.512 407 H ASN 57 H ASN 57 13.105 -12.866 -2.439 408 HA ASN 57 HA ASN 57 11.479 -12.240 -0.253 409 HB2 ASN 57 1HB ASN 57 12.699 -14.652 -1.384 410 HB3 ASN 57 2HB ASN 57 12.477 -14.734 0.361 411 HD21 ASN 57 2HD2 ASN 57 10.693 -13.630 -2.504 412 HD22 ASN 57 1HD2 ASN 57 9.179 -14.316 -2.032 413 H GLU 58 H GLU 58 14.733 -13.696 -0.082 414 HA GLU 58 HA GLU 58 15.156 -13.345 2.622 415 HB2 GLU 58 1HB GLU 58 17.616 -13.337 2.023 416 HB3 GLU 58 2HB GLU 58 16.683 -14.700 1.420 417 HG2 GLU 58 1HG GLU 58 16.451 -13.140 -0.700 418 HG3 GLU 58 2HG GLU 58 17.944 -12.459 -0.055 419 H PHE 59 H PHE 59 15.498 -11.037 0.013 420 HA PHE 59 HA PHE 59 17.021 -9.064 1.193 421 HB2 PHE 59 1HB PHE 59 15.989 -9.166 -1.172 422 HB3 PHE 59 2HB PHE 59 14.585 -8.394 -0.441 423 HD1 PHE 59 HD1 PHE 59 18.289 -7.939 -0.263 424 HD2 PHE 59 HD2 PHE 59 14.471 -6.146 -0.833 425 HE1 PHE 59 HE1 PHE 59 19.365 -5.743 -0.532 426 HE2 PHE 59 HE2 PHE 59 15.541 -3.947 -1.103 427 HZ PHE 59 HZ PHE 59 17.991 -3.743 -0.954 428 H ILE 60 H ILE 60 13.557 -9.682 1.554 429 HA ILE 60 HA ILE 60 13.216 -7.445 3.356 430 HB ILE 60 HB ILE 60 11.178 -9.608 2.957 431 HG12 ILE 60 1HG1 ILE 60 11.774 -7.320 1.070 432 HG13 ILE 60 2HG1 ILE 60 11.946 -9.035 0.715 433 HG21 ILE 60 1HG2 ILE 60 10.918 -7.718 4.623 434 HG22 ILE 60 2HG2 ILE 60 10.794 -6.641 3.233 435 HG23 ILE 60 3HG2 ILE 60 9.606 -7.923 3.462 436 HD11 ILE 60 3HD1 ILE 60 9.873 -9.049 -0.040 437 HD12 ILE 60 1HD1 ILE 60 9.297 -8.644 1.576 438 HD13 ILE 60 2HD1 ILE 60 9.665 -7.360 0.424 439 H SER 61 H SER 61 13.725 -10.885 3.552 440 HA SER 61 HA SER 61 12.824 -11.445 6.111 441 HB2 SER 61 1HB SER 61 13.583 -13.223 4.667 442 HB3 SER 61 2HB SER 61 15.215 -12.556 4.625 443 HG SER 61 HG SER 61 14.033 -14.155 6.493 444 H PHE 62 H PHE 62 15.993 -10.204 5.100 445 HA PHE 62 HA PHE 62 16.836 -9.899 7.859 446 HB2 PHE 62 1HB PHE 62 18.145 -10.137 5.335 447 HB3 PHE 62 2HB PHE 62 18.641 -8.615 6.069 448 HD1 PHE 62 HD1 PHE 62 17.981 -12.082 7.293 449 HD2 PHE 62 HD2 PHE 62 20.628 -8.751 7.187 450 HE1 PHE 62 HE1 PHE 62 19.563 -13.298 8.733 451 HE2 PHE 62 HE2 PHE 62 22.215 -9.962 8.626 452 HZ PHE 62 HZ PHE 62 21.684 -12.239 9.400 453 H CYS 63 H CYS 63 16.226 -7.790 5.062 454 HA CYS 63 HA CYS 63 16.762 -5.336 6.181 455 HB2 CYS 63 1HB CYS 63 16.224 -5.515 3.844 456 HB3 CYS 63 2HB CYS 63 14.608 -6.109 4.208 457 HG CYS 63 HG CYS 63 15.764 -2.959 4.129 458 H ASN 64 H ASN 64 13.877 -7.322 6.544 459 HA ASN 64 HA ASN 64 12.183 -5.483 7.759 460 HB2 ASN 64 1HB ASN 64 11.440 -7.702 7.034 461 HB3 ASN 64 2HB ASN 64 12.415 -8.453 8.294 462 HD21 ASN 64 2HD2 ASN 64 10.345 -5.589 8.396 463 HD22 ASN 64 1HD2 ASN 64 9.286 -6.184 9.625 464 H ALA 65 H ALA 65 14.826 -7.364 9.099 465 HA ALA 65 HA ALA 65 14.259 -6.786 11.831 466 HB1 ALA 65 1HB ALA 65 16.184 -8.312 10.366 467 HB2 ALA 65 2HB ALA 65 17.011 -7.313 11.561 468 HB3 ALA 65 3HB ALA 65 15.737 -8.423 12.069 469 H ASN 66 H ASN 66 15.575 -4.955 9.290 470 HA ASN 66 HA ASN 66 16.803 -3.069 11.189 471 HB2 ASN 66 1HB ASN 66 17.375 -3.655 8.291 472 HB3 ASN 66 2HB ASN 66 17.898 -2.150 9.044 473 HD21 ASN 66 2HD2 ASN 66 17.835 -5.571 9.999 474 HD22 ASN 66 1HD2 ASN 66 19.494 -5.640 10.480 475 HA PRO 67 HA PRO 67 12.923 -1.029 9.726 476 HB2 PRO 67 1HB PRO 67 12.333 0.070 12.137 477 HB3 PRO 67 2HB PRO 67 11.856 -1.571 11.687 478 HG2 PRO 67 1HG PRO 67 14.171 -0.662 13.352 479 HG3 PRO 67 2HG PRO 67 13.061 -2.017 13.625 480 HD2 PRO 67 1HD PRO 67 15.540 -2.351 12.589 481 HD3 PRO 67 2HD PRO 67 14.171 -3.389 12.143 482 H GLY 68 H GLY 68 15.770 0.049 11.434 483 HA2 GLY 68 1HA GLY 68 15.220 2.859 11.064 484 HA3 GLY 68 2HA GLY 68 16.707 2.157 11.685 485 H LEU 69 H LEU 69 16.565 0.373 9.148 486 HA LEU 69 HA LEU 69 18.129 2.212 7.516 487 HB2 LEU 69 1HB LEU 69 19.003 -0.030 8.075 488 HB3 LEU 69 2HB LEU 69 17.661 -0.748 7.186 489 HG LEU 69 HG LEU 69 19.638 1.086 5.862 490 HD11 LEU 69 1HD1 LEU 69 20.029 -1.654 6.795 491 HD12 LEU 69 2HD1 LEU 69 21.207 -0.454 6.265 492 HD13 LEU 69 3HD1 LEU 69 20.348 -1.430 5.074 493 HD21 LEU 69 3HD2 LEU 69 18.762 -0.817 4.081 494 HD22 LEU 69 1HD2 LEU 69 18.143 0.828 4.224 495 HD23 LEU 69 2HD2 LEU 69 17.328 -0.495 5.058 496 H MET 70 H MET 70 15.403 -0.042 7.104 497 HA MET 70 HA MET 70 14.811 0.472 4.453 498 HB2 MET 70 1HB MET 70 12.454 -0.165 5.066 499 HB3 MET 70 2HB MET 70 13.689 -1.312 5.568 500 HG2 MET 70 1HG MET 70 13.595 -0.470 7.833 501 HG3 MET 70 2HG MET 70 12.430 0.759 7.350 502 HE1 MET 70 3HE MET 70 12.504 -3.446 8.050 503 HE2 MET 70 1HE MET 70 11.553 -3.594 6.572 504 HE3 MET 70 2HE MET 70 13.119 -2.784 6.535 505 H LYS 71 H LYS 71 14.349 2.480 7.221 506 HA LYS 71 HA LYS 71 12.401 4.210 5.987 507 HB2 LYS 71 1HB LYS 71 14.014 4.403 8.529 508 HB3 LYS 71 2HB LYS 71 12.916 5.672 8.001 509 HG2 LYS 71 1HG LYS 71 11.049 4.115 8.089 510 HG3 LYS 71 2HG LYS 71 12.142 2.819 8.581 511 HD2 LYS 71 1HD LYS 71 12.735 4.681 10.441 512 HD3 LYS 71 2HD LYS 71 11.040 5.071 10.138 513 HE2 LYS 71 1HE LYS 71 10.986 2.342 10.311 514 HE3 LYS 71 2HE LYS 71 12.235 2.761 11.482 515 HZ1 LYS 71 3HZ LYS 71 10.481 4.485 12.259 516 HZ2 LYS 71 1HZ LYS 71 10.342 2.871 12.747 517 HZ3 LYS 71 2HZ LYS 71 9.381 3.458 11.486 518 H ASP 72 H ASP 72 15.865 4.055 6.281 519 HA ASP 72 HA ASP 72 16.235 6.771 5.321 520 HB2 ASP 72 1HB ASP 72 17.825 4.863 6.734 521 HB3 ASP 72 2HB ASP 72 18.676 5.313 5.259 522 H VAL 73 H VAL 73 16.595 3.462 4.151 523 HA VAL 73 HA VAL 73 17.757 4.154 1.651 524 HB VAL 73 HB VAL 73 18.000 1.906 2.537 525 HG11 VAL 73 1HG1 VAL 73 15.240 1.091 1.899 526 HG12 VAL 73 2HG1 VAL 73 16.313 0.558 3.195 527 HG13 VAL 73 3HG1 VAL 73 15.437 2.082 3.344 528 HG21 VAL 73 3HG2 VAL 73 18.181 2.114 0.153 529 HG22 VAL 73 1HG2 VAL 73 17.318 0.619 0.517 530 HG23 VAL 73 2HG2 VAL 73 16.429 2.040 -0.034 531 H ALA 74 H ALA 74 14.451 3.676 2.765 532 HA ALA 74 HA ALA 74 13.292 3.851 0.149 533 HB1 ALA 74 1HB ALA 74 11.786 4.333 2.694 534 HB2 ALA 74 2HB ALA 74 11.224 3.605 1.189 535 HB3 ALA 74 3HB ALA 74 12.322 2.714 2.243 536 H LYS 75 H LYS 75 14.881 6.105 1.814 537 HA LYS 75 HA LYS 75 13.025 8.310 1.366 538 HB2 LYS 75 1HB LYS 75 14.241 9.500 2.870 539 HB3 LYS 75 2HB LYS 75 14.760 7.897 3.374 540 HG2 LYS 75 1HG LYS 75 16.686 8.204 1.719 541 HG3 LYS 75 2HG LYS 75 16.235 9.911 1.717 542 HD2 LYS 75 1HD LYS 75 16.741 10.162 3.992 543 HD3 LYS 75 2HD LYS 75 16.727 8.420 4.277 544 HE2 LYS 75 1HE LYS 75 19.005 9.414 4.250 545 HE3 LYS 75 2HE LYS 75 18.769 8.143 3.051 546 HZ1 LYS 75 3HZ LYS 75 18.473 9.818 1.357 547 HZ2 LYS 75 1HZ LYS 75 19.950 10.061 2.144 548 HZ3 LYS 75 2HZ LYS 75 18.630 11.057 2.498 549 H VAL 76 H VAL 76 15.925 6.908 0.036 550 HA VAL 76 HA VAL 76 15.866 8.937 -2.100 551 HB VAL 76 HB VAL 76 17.833 9.270 -0.634 552 HG11 VAL 76 1HG1 VAL 76 19.207 6.871 -1.631 553 HG12 VAL 76 2HG1 VAL 76 19.272 7.643 -0.045 554 HG13 VAL 76 3HG1 VAL 76 17.932 6.569 -0.450 555 HG21 VAL 76 3HG2 VAL 76 19.384 8.481 -2.856 556 HG22 VAL 76 1HG2 VAL 76 17.799 8.949 -3.470 557 HG23 VAL 76 2HG2 VAL 76 18.736 10.081 -2.494 558 H PHE 77 H PHE 77 16.417 5.607 -1.165 559 HA PHE 77 HA PHE 77 16.702 4.815 -3.971 560 HB2 PHE 77 1HB PHE 77 17.417 3.588 -1.362 561 HB3 PHE 77 2HB PHE 77 16.961 2.489 -2.659 562 HD1 PHE 77 HD2 PHE 77 18.694 5.703 -3.148 563 HD2 PHE 77 HD1 PHE 77 19.071 1.467 -2.985 564 HE1 PHE 77 HE2 PHE 77 20.963 5.873 -4.083 565 HE2 PHE 77 HE1 PHE 77 21.341 1.629 -3.919 566 HZ PHE 77 HZ PHE 77 22.290 3.834 -4.471 Start of MODEL 2 1 H1 ALA 1 H ALA 1 1.867 0.143 0.825 2 HA ALA 1 HA ALA 1 1.575 -0.362 -2.024 3 HB1 ALA 1 1HB ALA 1 3.308 1.951 -1.289 4 HB2 ALA 1 2HB ALA 1 2.515 1.579 -2.820 5 HB3 ALA 1 3HB ALA 1 1.570 2.194 -1.464 6 H ASP 2 H ASP 2 3.355 -1.330 -2.946 7 HA ASP 2 HA ASP 2 5.155 -2.643 -1.183 8 HB2 ASP 2 1HB ASP 2 4.254 -3.155 -3.697 9 HB3 ASP 2 2HB ASP 2 5.871 -2.549 -4.046 10 H ASP 3 H ASP 3 6.568 -1.382 -0.103 11 HA ASP 3 HA ASP 3 7.958 0.786 -1.416 12 HB2 ASP 3 1HB ASP 3 8.702 -0.220 1.304 13 HB3 ASP 3 2HB ASP 3 8.683 1.431 0.691 14 H MET 4 H MET 4 8.735 -2.420 -0.143 15 HA MET 4 HA MET 4 11.520 -2.284 -0.601 16 HB2 MET 4 1HB MET 4 9.673 -4.668 -0.414 17 HB3 MET 4 2HB MET 4 11.428 -4.772 -0.435 18 HG2 MET 4 1HG MET 4 9.874 -3.241 1.632 19 HG3 MET 4 2HG MET 4 10.378 -4.918 1.824 20 HE1 MET 4 3HE MET 4 13.136 -5.539 2.547 21 HE2 MET 4 1HE MET 4 12.850 -5.411 0.811 22 HE3 MET 4 2HE MET 4 14.243 -4.609 1.536 23 H GLU 5 H GLU 5 8.833 -2.804 -2.690 24 HA GLU 5 HA GLU 5 10.152 -4.236 -4.749 25 HB2 GLU 5 1HB GLU 5 7.736 -4.204 -4.639 26 HB3 GLU 5 2HB GLU 5 7.712 -2.455 -4.816 27 HG2 GLU 5 1HG GLU 5 8.584 -2.646 -7.071 28 HG3 GLU 5 2HG GLU 5 8.684 -4.397 -6.900 29 H ARG 6 H ARG 6 9.134 -0.814 -4.696 30 HA ARG 6 HA ARG 6 10.488 0.018 -6.955 31 HB2 ARG 6 1HB ARG 6 10.515 2.298 -5.800 32 HB3 ARG 6 2HB ARG 6 8.948 1.532 -6.021 33 HG2 ARG 6 1HG ARG 6 8.829 0.910 -3.737 34 HG3 ARG 6 2HG ARG 6 10.519 1.341 -3.467 35 HD2 ARG 6 1HD ARG 6 9.920 3.414 -2.945 36 HD3 ARG 6 2HD ARG 6 9.176 3.610 -4.531 37 HE ARG 6 HE ARG 6 7.838 3.093 -2.035 38 HH11 ARG 6 1HH1 ARG 6 7.636 2.888 -5.504 39 HH12 ARG 6 2HH1 ARG 6 5.903 2.877 -5.533 40 HH21 ARG 6 1HH2 ARG 6 5.557 3.079 -2.059 41 HH22 ARG 6 2HH2 ARG 6 4.722 2.987 -3.573 42 H ILE 7 H ILE 7 11.668 -0.268 -3.641 43 HA ILE 7 HA ILE 7 14.222 0.894 -4.192 44 HB ILE 7 HB ILE 7 13.342 -0.844 -1.883 45 HG12 ILE 7 1HG1 ILE 7 13.838 2.087 -1.654 46 HG13 ILE 7 2HG1 ILE 7 12.344 1.564 -2.424 47 HG21 ILE 7 1HG2 ILE 7 15.913 0.446 -2.566 48 HG22 ILE 7 2HG2 ILE 7 15.381 0.568 -0.890 49 HG23 ILE 7 3HG2 ILE 7 15.588 -1.016 -1.636 50 HD11 ILE 7 3HD1 ILE 7 13.171 1.438 0.392 51 HD12 ILE 7 1HD1 ILE 7 11.570 1.634 -0.320 52 HD13 ILE 7 2HD1 ILE 7 12.299 0.031 -0.218 53 H PHE 8 H PHE 8 12.886 -2.334 -4.272 54 HA PHE 8 HA PHE 8 15.284 -3.799 -4.284 55 HB2 PHE 8 1HB PHE 8 13.235 -4.971 -3.921 56 HB3 PHE 8 2HB PHE 8 12.560 -4.392 -5.441 57 HD1 PHE 8 HD1 PHE 8 15.031 -6.668 -3.932 58 HD2 PHE 8 HD2 PHE 8 13.000 -5.503 -7.487 59 HE1 PHE 8 HE1 PHE 8 15.847 -8.697 -5.059 60 HE2 PHE 8 HE2 PHE 8 13.811 -7.531 -8.619 61 HZ PHE 8 HZ PHE 8 15.236 -9.132 -7.405 62 H LYS 9 H LYS 9 13.690 -1.940 -6.734 63 HA LYS 9 HA LYS 9 14.974 -3.111 -8.988 64 HB2 LYS 9 1HB LYS 9 13.953 -0.281 -8.860 65 HB3 LYS 9 2HB LYS 9 14.037 -1.348 -10.256 66 HG2 LYS 9 1HG LYS 9 12.163 -1.561 -7.913 67 HG3 LYS 9 2HG LYS 9 11.756 -1.154 -9.581 68 HD2 LYS 9 1HD LYS 9 12.869 -3.793 -8.628 69 HD3 LYS 9 2HD LYS 9 11.186 -3.478 -9.056 70 HE2 LYS 9 1HE LYS 9 13.584 -3.374 -10.879 71 HE3 LYS 9 2HE LYS 9 12.274 -4.553 -10.910 72 HZ1 LYS 9 3HZ LYS 9 10.855 -2.378 -11.218 73 HZ2 LYS 9 1HZ LYS 9 11.579 -3.152 -12.537 74 HZ3 LYS 9 2HZ LYS 9 12.307 -1.786 -11.854 75 H ARG 10 H ARG 10 15.924 -0.792 -6.617 76 HA ARG 10 HA ARG 10 18.049 0.350 -8.199 77 HB2 ARG 10 1HB ARG 10 17.702 0.566 -5.211 78 HB3 ARG 10 2HB ARG 10 18.567 1.663 -6.279 79 HG2 ARG 10 1HG ARG 10 15.591 1.213 -6.336 80 HG3 ARG 10 2HG ARG 10 16.396 2.544 -5.503 81 HD2 ARG 10 1HD ARG 10 16.524 1.974 -8.462 82 HD3 ARG 10 2HD ARG 10 15.552 3.229 -7.696 83 HE ARG 10 HE ARG 10 18.297 3.490 -7.012 84 HH11 ARG 10 1HH1 ARG 10 16.008 4.063 -9.572 85 HH12 ARG 10 2HH1 ARG 10 16.911 5.370 -10.263 86 HH21 ARG 10 1HH2 ARG 10 19.495 5.209 -7.913 87 HH22 ARG 10 2HH2 ARG 10 18.895 6.020 -9.320 88 H PHE 11 H PHE 11 17.912 -1.691 -5.277 89 HA PHE 11 HA PHE 11 20.646 -2.192 -5.071 90 HB2 PHE 11 1HB PHE 11 18.223 -3.744 -4.186 91 HB3 PHE 11 2HB PHE 11 19.852 -4.338 -3.882 92 HD1 PHE 11 HD1 PHE 11 17.711 -1.336 -3.380 93 HD2 PHE 11 HD2 PHE 11 20.966 -3.687 -1.967 94 HE1 PHE 11 HE1 PHE 11 17.834 0.057 -1.356 95 HE2 PHE 11 HE2 PHE 11 21.094 -2.298 0.060 96 HZ PHE 11 HZ PHE 11 19.526 -0.423 0.368 97 H ASP 12 H ASP 12 18.220 -3.618 -7.128 98 HA ASP 12 HA ASP 12 20.033 -5.723 -8.009 99 HB2 ASP 12 1HB ASP 12 17.731 -6.381 -7.683 100 HB3 ASP 12 2HB ASP 12 17.168 -5.089 -8.739 101 H THR 13 H THR 13 21.420 -3.761 -8.729 102 HA THR 13 HA THR 13 20.770 -2.217 -10.954 103 HB THR 13 HB THR 13 23.452 -3.226 -10.004 104 HG1 THR 13 HG1 THR 13 22.580 -0.552 -9.928 105 HG21 THR 13 3HG2 THR 13 22.846 -1.183 -12.144 106 HG22 THR 13 1HG2 THR 13 23.626 -2.746 -12.381 107 HG23 THR 13 2HG2 THR 13 24.439 -1.487 -11.452 108 H ASN 14 H ASN 14 21.553 -5.563 -10.726 109 HA ASN 14 HA ASN 14 22.336 -5.861 -13.484 110 HB2 ASN 14 1HB ASN 14 23.318 -7.420 -11.990 111 HB3 ASN 14 2HB ASN 14 21.765 -7.816 -11.261 112 HD21 ASN 14 2HD2 ASN 14 22.357 -7.480 -14.695 113 HD22 ASN 14 1HD2 ASN 14 22.093 -9.140 -15.096 114 H GLY 15 H GLY 15 19.408 -5.513 -11.865 115 HA2 GLY 15 1HA GLY 15 17.212 -5.890 -12.442 116 HA3 GLY 15 2HA GLY 15 17.782 -5.596 -14.078 117 H ASP 16 H ASP 16 18.518 -8.282 -11.881 118 HA ASP 16 HA ASP 16 17.344 -10.103 -13.880 119 HB2 ASP 16 1HB ASP 16 19.232 -11.307 -13.888 120 HB3 ASP 16 2HB ASP 16 19.981 -10.005 -12.968 121 H GLY 17 H GLY 17 17.202 -8.973 -10.694 122 HA2 GLY 17 1HA GLY 17 15.273 -9.542 -9.361 123 HA3 GLY 17 2HA GLY 17 15.373 -11.177 -9.999 124 H LYS 18 H LYS 18 18.370 -9.782 -9.165 125 HA LYS 18 HA LYS 18 18.336 -10.719 -6.423 126 HB2 LYS 18 1HB LYS 18 20.351 -11.920 -8.316 127 HB3 LYS 18 2HB LYS 18 20.027 -12.374 -6.648 128 HG2 LYS 18 1HG LYS 18 17.810 -13.196 -7.324 129 HG3 LYS 18 2HG LYS 18 18.190 -12.790 -8.999 130 HD2 LYS 18 1HD LYS 18 20.255 -14.408 -7.739 131 HD3 LYS 18 2HD LYS 18 18.680 -15.206 -7.754 132 HE2 LYS 18 1HE LYS 18 18.805 -14.187 -10.277 133 HE3 LYS 18 2HE LYS 18 20.499 -14.563 -9.966 134 HZ1 LYS 18 3HZ LYS 18 18.496 -16.322 -10.708 135 HZ2 LYS 18 1HZ LYS 18 18.856 -16.692 -9.097 136 HZ3 LYS 18 2HZ LYS 18 20.082 -16.704 -10.262 137 H ILE 19 H ILE 19 20.275 -10.144 -5.247 138 HA ILE 19 HA ILE 19 21.714 -7.908 -6.517 139 HB ILE 19 HB ILE 19 21.528 -8.220 -3.546 140 HG12 ILE 19 1HG1 ILE 19 19.217 -8.366 -4.298 141 HG13 ILE 19 2HG1 ILE 19 19.505 -6.793 -3.562 142 HG21 ILE 19 1HG2 ILE 19 22.322 -6.164 -5.486 143 HG22 ILE 19 2HG2 ILE 19 21.375 -5.576 -4.121 144 HG23 ILE 19 3HG2 ILE 19 22.881 -6.449 -3.838 145 HD11 ILE 19 3HD1 ILE 19 20.021 -6.231 -6.149 146 HD12 ILE 19 1HD1 ILE 19 18.800 -7.492 -6.322 147 HD13 ILE 19 2HD1 ILE 19 18.443 -6.041 -5.384 148 H SER 20 H SER 20 23.774 -8.292 -6.947 149 HA SER 20 HA SER 20 25.180 -10.373 -5.422 150 HB2 SER 20 1HB SER 20 24.956 -10.108 -8.118 151 HB3 SER 20 2HB SER 20 26.470 -9.250 -7.833 152 HG SER 20 HG SER 20 25.975 -11.809 -6.740 153 H LEU 21 H LEU 21 27.784 -9.707 -5.913 154 HA LEU 21 HA LEU 21 28.239 -7.675 -3.969 155 HB2 LEU 21 1HB LEU 21 30.362 -8.740 -5.789 156 HB3 LEU 21 2HB LEU 21 30.495 -8.230 -4.107 157 HG LEU 21 HG LEU 21 29.319 -10.793 -5.167 158 HD11 LEU 21 1HD1 LEU 21 31.234 -11.757 -4.562 159 HD12 LEU 21 2HD1 LEU 21 31.287 -10.888 -3.029 160 HD13 LEU 21 3HD1 LEU 21 31.903 -10.126 -4.495 161 HD21 LEU 21 3HD2 LEU 21 27.971 -10.843 -3.403 162 HD22 LEU 21 1HD2 LEU 21 28.642 -9.336 -2.781 163 HD23 LEU 21 2HD2 LEU 21 29.404 -10.873 -2.373 164 H SER 22 H SER 22 28.049 -7.728 -7.418 165 HA SER 22 HA SER 22 29.460 -5.242 -7.798 166 HB2 SER 22 1HB SER 22 28.807 -7.358 -9.450 167 HB3 SER 22 2HB SER 22 27.709 -6.087 -9.986 168 HG SER 22 HG SER 22 30.537 -5.982 -9.828 169 H GLU 23 H GLU 23 26.125 -6.311 -7.534 170 HA GLU 23 HA GLU 23 25.060 -3.708 -8.202 171 HB2 GLU 23 1HB GLU 23 23.585 -6.055 -7.006 172 HB3 GLU 23 2HB GLU 23 22.894 -4.687 -7.868 173 HG2 GLU 23 1HG GLU 23 23.706 -5.436 -9.935 174 HG3 GLU 23 2HG GLU 23 24.817 -6.577 -9.178 175 H LEU 24 H LEU 24 25.069 -5.772 -5.294 176 HA LEU 24 HA LEU 24 23.878 -4.033 -3.518 177 HB2 LEU 24 1HB LEU 24 24.727 -6.465 -3.225 178 HB3 LEU 24 2HB LEU 24 26.220 -5.701 -2.684 179 HG LEU 24 HG LEU 24 23.643 -4.929 -1.390 180 HD11 LEU 24 1HD1 LEU 24 25.081 -7.126 -0.093 181 HD12 LEU 24 2HD1 LEU 24 24.253 -7.573 -1.584 182 HD13 LEU 24 3HD1 LEU 24 23.348 -6.839 -0.260 183 HD21 LEU 24 3HD2 LEU 24 26.126 -4.028 -1.047 184 HD22 LEU 24 1HD2 LEU 24 26.184 -5.401 0.059 185 HD23 LEU 24 2HD2 LEU 24 24.967 -4.143 0.278 186 H THR 25 H THR 25 27.360 -4.348 -4.198 187 HA THR 25 HA THR 25 28.310 -2.392 -2.487 188 HB THR 25 HB THR 25 29.700 -3.976 -3.877 189 HG1 THR 25 HG1 THR 25 31.365 -2.276 -4.207 190 HG21 THR 25 3HG2 THR 25 28.453 -3.058 -6.021 191 HG22 THR 25 1HG2 THR 25 30.119 -3.629 -6.104 192 HG23 THR 25 2HG2 THR 25 29.783 -1.900 -6.010 193 H ASP 26 H ASP 26 26.788 -2.058 -5.624 194 HA ASP 26 HA ASP 26 27.470 0.648 -6.085 195 HB2 ASP 26 1HB ASP 26 25.898 -1.374 -7.368 196 HB3 ASP 26 2HB ASP 26 24.954 0.110 -7.278 197 H ALA 27 H ALA 27 25.107 -0.879 -4.080 198 HA ALA 27 HA ALA 27 23.474 1.489 -3.782 199 HB1 ALA 27 1HB ALA 27 23.025 -1.203 -3.419 200 HB2 ALA 27 2HB ALA 27 23.098 -0.578 -1.771 201 HB3 ALA 27 3HB ALA 27 21.951 0.105 -2.923 202 H LEU 28 H LEU 28 25.364 -0.489 -1.484 203 HA LEU 28 HA LEU 28 25.305 1.239 0.664 204 HB2 LEU 28 1HB LEU 28 27.674 -0.450 -0.110 205 HB3 LEU 28 2HB LEU 28 27.236 0.095 1.507 206 HG LEU 28 HG LEU 28 25.875 -2.003 -0.169 207 HD11 LEU 28 1HD1 LEU 28 26.412 -2.762 2.513 208 HD12 LEU 28 2HD1 LEU 28 27.880 -2.060 1.832 209 HD13 LEU 28 3HD1 LEU 28 27.093 -3.416 1.023 210 HD21 LEU 28 3HD2 LEU 28 24.014 -1.019 0.748 211 HD22 LEU 28 1HD2 LEU 28 24.883 -0.446 2.172 212 HD23 LEU 28 2HD2 LEU 28 24.454 -2.151 2.028 213 H ARG 29 H ARG 29 27.472 1.246 -2.117 214 HA ARG 29 HA ARG 29 29.209 3.270 -1.146 215 HB2 ARG 29 1HB ARG 29 30.162 3.292 -3.317 216 HB3 ARG 29 2HB ARG 29 29.691 1.626 -3.011 217 HG2 ARG 29 1HG ARG 29 28.779 1.746 -5.048 218 HG3 ARG 29 2HG ARG 29 27.462 2.580 -4.221 219 HD2 ARG 29 1HD ARG 29 27.853 4.403 -5.425 220 HD3 ARG 29 2HD ARG 29 29.493 4.482 -4.781 221 HE ARG 29 HE ARG 29 28.680 3.485 -7.369 222 HH11 ARG 29 1HH1 ARG 29 31.173 3.572 -4.940 223 HH12 ARG 29 2HH1 ARG 29 32.446 3.172 -6.045 224 HH21 ARG 29 1HH2 ARG 29 30.347 2.957 -8.834 225 HH22 ARG 29 2HH2 ARG 29 31.975 2.824 -8.260 226 H THR 30 H THR 30 26.125 3.304 -2.734 227 HA THR 30 HA THR 30 26.292 6.103 -3.461 228 HB THR 30 HB THR 30 24.004 4.133 -3.611 229 HG1 THR 30 HG1 THR 30 24.573 3.957 -5.707 230 HG21 THR 30 3HG2 THR 30 22.993 6.265 -3.361 231 HG22 THR 30 1HG2 THR 30 22.974 5.913 -5.089 232 HG23 THR 30 2HG2 THR 30 24.171 7.028 -4.429 233 H LEU 31 H LEU 31 24.470 4.120 -1.141 234 HA LEU 31 HA LEU 31 23.046 6.246 0.036 235 HB2 LEU 31 1HB LEU 31 23.871 3.678 1.373 236 HB3 LEU 31 2HB LEU 31 22.512 4.715 1.801 237 HG LEU 31 HG LEU 31 22.786 2.906 -0.588 238 HD11 LEU 31 1HD1 LEU 31 21.101 1.657 0.345 239 HD12 LEU 31 2HD1 LEU 31 20.476 3.006 1.294 240 HD13 LEU 31 3HD1 LEU 31 21.962 2.193 1.788 241 HD21 LEU 31 3HD2 LEU 31 20.581 4.893 -0.061 242 HD22 LEU 31 1HD2 LEU 31 20.705 3.777 -1.421 243 HD23 LEU 31 2HD2 LEU 31 21.856 5.104 -1.262 244 H GLY 32 H GLY 32 26.318 5.291 0.285 245 HA2 GLY 32 1HA GLY 32 26.892 7.475 2.063 246 HA3 GLY 32 2HA GLY 32 27.114 5.905 2.822 247 H SER 33 H SER 33 28.561 4.370 1.663 248 HA SER 33 HA SER 33 30.264 4.766 -0.365 249 HB2 SER 33 1HB SER 33 31.210 6.786 0.153 250 HB3 SER 33 2HB SER 33 30.973 6.574 1.887 251 HG SER 33 HG SER 33 32.977 5.983 1.953 252 H THR 34 H THR 34 31.264 2.881 -0.555 253 HA THR 34 HA THR 34 32.860 1.687 1.430 254 HB THR 34 HB THR 34 30.528 1.266 2.375 255 HG1 THR 34 HG1 THR 34 32.569 -0.022 2.720 256 HG21 THR 34 3HG2 THR 34 29.450 0.712 0.228 257 HG22 THR 34 1HG2 THR 34 29.266 -0.578 1.415 258 HG23 THR 34 2HG2 THR 34 30.448 -0.738 0.116 259 H SER 35 H SER 35 32.994 -0.876 0.821 260 HA SER 35 HA SER 35 33.097 -1.044 -2.115 261 HB2 SER 35 1HB SER 35 35.247 -2.119 -0.281 262 HB3 SER 35 2HB SER 35 35.277 -2.058 -2.043 263 HG SER 35 HG SER 35 34.957 0.363 -1.537 264 H ALA 36 H ALA 36 34.010 -3.564 -2.450 265 HA ALA 36 HA ALA 36 31.723 -5.135 -1.809 266 HB1 ALA 36 1HB ALA 36 34.147 -6.533 -2.730 267 HB2 ALA 36 2HB ALA 36 32.497 -6.586 -3.351 268 HB3 ALA 36 3HB ALA 36 33.558 -5.244 -3.779 269 H ASP 37 H ASP 37 34.833 -4.669 -0.349 270 HA ASP 37 HA ASP 37 35.200 -7.008 1.072 271 HB2 ASP 37 1HB ASP 37 36.649 -4.845 0.946 272 HB3 ASP 37 2HB ASP 37 35.727 -4.350 2.364 273 H GLU 38 H GLU 38 32.850 -4.507 1.547 274 HA GLU 38 HA GLU 38 32.013 -5.734 4.086 275 HB2 GLU 38 1HB GLU 38 30.959 -3.121 3.053 276 HB3 GLU 38 2HB GLU 38 31.039 -3.701 4.710 277 HG2 GLU 38 1HG GLU 38 33.401 -2.894 3.028 278 HG3 GLU 38 2HG GLU 38 32.641 -1.907 4.275 279 H VAL 39 H VAL 39 31.226 -5.485 0.807 280 HA VAL 39 HA VAL 39 28.385 -5.673 1.003 281 HB VAL 39 HB VAL 39 30.291 -6.275 -1.255 282 HG11 VAL 39 1HG1 VAL 39 27.304 -6.528 -1.120 283 HG12 VAL 39 2HG1 VAL 39 28.139 -6.215 -2.643 284 HG13 VAL 39 3HG1 VAL 39 28.487 -7.685 -1.731 285 HG21 VAL 39 3HG2 VAL 39 30.001 -4.146 -1.913 286 HG22 VAL 39 1HG2 VAL 39 28.286 -4.148 -1.500 287 HG23 VAL 39 2HG2 VAL 39 29.496 -3.878 -0.245 288 H GLN 40 H GLN 40 30.813 -8.080 -0.027 289 HA GLN 40 HA GLN 40 29.151 -10.288 -0.095 290 HB2 GLN 40 1HB GLN 40 31.305 -11.589 0.436 291 HB3 GLN 40 2HB GLN 40 31.282 -10.590 -1.012 292 HG2 GLN 40 1HG GLN 40 32.713 -9.025 -0.124 293 HG3 GLN 40 2HG GLN 40 32.313 -9.449 1.540 294 HE21 GLN 40 2HE2 GLN 40 32.713 -12.083 1.673 295 HE22 GLN 40 1HE2 GLN 40 34.358 -12.483 1.328 296 H ARG 41 H ARG 41 30.415 -8.595 2.632 297 HA ARG 41 HA ARG 41 29.925 -10.755 4.495 298 HB2 ARG 41 1HB ARG 41 30.422 -7.905 5.295 299 HB3 ARG 41 2HB ARG 41 30.864 -9.384 6.139 300 HG2 ARG 41 1HG ARG 41 32.123 -8.304 3.626 301 HG3 ARG 41 2HG ARG 41 32.834 -8.332 5.241 302 HD2 ARG 41 1HD ARG 41 32.123 -10.962 4.805 303 HD3 ARG 41 2HD ARG 41 32.691 -10.424 3.224 304 HE ARG 41 HE ARG 41 34.813 -10.419 4.054 305 HH11 ARG 41 1HH1 ARG 41 32.579 -10.272 6.720 306 HH12 ARG 41 2HH1 ARG 41 33.811 -10.407 7.930 307 HH21 ARG 41 1HH2 ARG 41 36.445 -10.597 5.639 308 HH22 ARG 41 2HH2 ARG 41 36.010 -10.591 7.314 309 H MET 42 H MET 42 28.284 -7.934 3.290 310 HA MET 42 HA MET 42 26.299 -7.893 5.376 311 HB2 MET 42 1HB MET 42 26.805 -5.801 4.344 312 HB3 MET 42 2HB MET 42 26.541 -6.457 2.734 313 HG2 MET 42 1HG MET 42 24.277 -6.318 2.891 314 HG3 MET 42 2HG MET 42 24.274 -6.524 4.641 315 HE1 MET 42 3HE MET 42 26.289 -4.015 5.685 316 HE2 MET 42 1HE MET 42 24.823 -3.130 6.110 317 HE3 MET 42 2HE MET 42 24.880 -4.882 6.298 318 H MET 43 H MET 43 26.472 -8.991 2.014 319 HA MET 43 HA MET 43 23.743 -9.875 1.964 320 HB2 MET 43 1HB MET 43 24.441 -10.955 -0.201 321 HB3 MET 43 2HB MET 43 24.695 -9.217 -0.119 322 HG2 MET 43 1HG MET 43 26.817 -9.503 -0.648 323 HG3 MET 43 2HG MET 43 27.053 -10.460 0.813 324 HE1 MET 43 3HE MET 43 24.605 -11.617 -2.110 325 HE2 MET 43 1HE MET 43 25.787 -10.536 -2.849 326 HE3 MET 43 2HE MET 43 25.796 -12.255 -3.244 327 H ALA 44 H ALA 44 26.759 -11.214 2.950 328 HA ALA 44 HA ALA 44 26.226 -13.956 2.634 329 HB1 ALA 44 1HB ALA 44 28.079 -12.361 4.338 330 HB2 ALA 44 2HB ALA 44 27.873 -14.081 4.671 331 HB3 ALA 44 3HB ALA 44 28.439 -13.552 3.087 332 H GLU 45 H GLU 45 25.219 -11.641 5.042 333 HA GLU 45 HA GLU 45 24.157 -13.735 6.772 334 HB2 GLU 45 1HB GLU 45 23.501 -11.799 8.233 335 HB3 GLU 45 2HB GLU 45 25.229 -11.953 7.943 336 HG2 GLU 45 1HG GLU 45 25.113 -10.194 6.261 337 HG3 GLU 45 2HG GLU 45 23.377 -10.046 6.530 338 H ILE 46 H ILE 46 23.128 -11.513 4.345 339 HA ILE 46 HA ILE 46 20.335 -11.601 5.068 340 HB ILE 46 HB ILE 46 21.699 -10.546 2.589 341 HG12 ILE 46 1HG1 ILE 46 20.445 -9.049 4.898 342 HG13 ILE 46 2HG1 ILE 46 22.170 -9.370 4.758 343 HG21 ILE 46 1HG2 ILE 46 19.549 -9.437 2.121 344 HG22 ILE 46 2HG2 ILE 46 19.430 -11.195 2.064 345 HG23 ILE 46 3HG2 ILE 46 18.825 -10.315 3.467 346 HD11 ILE 46 3HD1 ILE 46 20.567 -7.837 2.728 347 HD12 ILE 46 1HD1 ILE 46 21.492 -7.100 4.036 348 HD13 ILE 46 2HD1 ILE 46 22.319 -8.029 2.786 349 H ASP 47 H ASP 47 22.460 -13.156 2.731 350 HA ASP 47 HA ASP 47 20.562 -14.377 1.105 351 HB2 ASP 47 1HB ASP 47 23.352 -14.468 1.402 352 HB3 ASP 47 2HB ASP 47 22.810 -16.136 1.567 353 H THR 48 H THR 48 18.903 -15.570 1.765 354 HA THR 48 HA THR 48 18.913 -17.039 4.215 355 HB THR 48 HB THR 48 16.923 -17.097 1.938 356 HG1 THR 48 HG1 THR 48 16.934 -15.673 4.411 357 HG21 THR 48 3HG2 THR 48 15.529 -17.763 4.164 358 HG22 THR 48 1HG2 THR 48 17.079 -18.529 4.508 359 HG23 THR 48 2HG2 THR 48 16.202 -18.937 3.033 360 H ASP 49 H ASP 49 19.601 -17.785 0.894 361 HA ASP 49 HA ASP 49 19.850 -20.637 1.594 362 HB2 ASP 49 1HB ASP 49 19.944 -20.618 -1.127 363 HB3 ASP 49 2HB ASP 49 18.475 -20.865 -0.186 364 H GLY 50 H GLY 50 21.552 -17.820 0.827 365 HA2 GLY 50 1HA GLY 50 23.758 -17.390 0.358 366 HA3 GLY 50 2HA GLY 50 24.077 -18.925 1.152 367 H ASP 51 H ASP 51 23.229 -17.456 -1.950 368 HA ASP 51 HA ASP 51 24.625 -19.683 -3.277 369 HB2 ASP 51 1HB ASP 51 23.009 -19.865 -4.938 370 HB3 ASP 51 2HB ASP 51 22.030 -19.567 -3.505 371 H GLY 52 H GLY 52 25.186 -16.751 -2.432 372 HA2 GLY 52 1HA GLY 52 26.818 -15.310 -3.277 373 HA3 GLY 52 2HA GLY 52 26.699 -16.124 -4.830 374 H PHE 53 H PHE 53 23.639 -15.383 -3.722 375 HA PHE 53 HA PHE 53 23.595 -12.680 -4.800 376 HB2 PHE 53 1HB PHE 53 22.079 -14.988 -6.024 377 HB3 PHE 53 2HB PHE 53 21.659 -13.302 -6.309 378 HD1 PHE 53 HD2 PHE 53 24.086 -15.952 -6.961 379 HD2 PHE 53 HD1 PHE 53 23.069 -11.879 -7.659 380 HE1 PHE 53 HE2 PHE 53 25.730 -15.859 -8.789 381 HE2 PHE 53 HE1 PHE 53 24.711 -11.779 -9.489 382 HZ PHE 53 HZ PHE 53 26.045 -13.770 -10.055 383 H ILE 54 H ILE 54 21.804 -11.467 -4.160 384 HA ILE 54 HA ILE 54 20.266 -12.669 -1.965 385 HB ILE 54 HB ILE 54 20.917 -9.793 -2.593 386 HG12 ILE 54 1HG1 ILE 54 22.683 -11.099 -1.480 387 HG13 ILE 54 2HG1 ILE 54 22.036 -9.854 -0.416 388 HG21 ILE 54 1HG2 ILE 54 19.686 -9.816 -0.128 389 HG22 ILE 54 2HG2 ILE 54 18.972 -9.259 -1.641 390 HG23 ILE 54 3HG2 ILE 54 18.694 -10.912 -1.091 391 HD11 ILE 54 3HD1 ILE 54 22.220 -11.700 0.961 392 HD12 ILE 54 1HD1 ILE 54 20.522 -11.728 0.486 393 HD13 ILE 54 2HD1 ILE 54 21.674 -12.815 -0.290 394 H ASP 55 H ASP 55 18.403 -13.470 -2.723 395 HA ASP 55 HA ASP 55 17.008 -12.454 -4.968 396 HB2 ASP 55 1HB ASP 55 15.764 -14.118 -2.784 397 HB3 ASP 55 2HB ASP 55 15.351 -14.080 -4.496 398 H PHE 56 H PHE 56 14.381 -12.273 -4.307 399 HA PHE 56 HA PHE 56 14.277 -9.650 -3.096 400 HB2 PHE 56 1HB PHE 56 12.987 -10.398 -5.182 401 HB3 PHE 56 2HB PHE 56 11.915 -11.247 -4.072 402 HD1 PHE 56 HD1 PHE 56 11.102 -9.713 -2.033 403 HD2 PHE 56 HD2 PHE 56 12.349 -8.307 -5.852 404 HE1 PHE 56 HE1 PHE 56 9.819 -7.642 -1.686 405 HE2 PHE 56 HE2 PHE 56 11.069 -6.233 -5.511 406 HZ PHE 56 HZ PHE 56 9.803 -5.898 -3.425 407 H ASN 57 H ASN 57 12.993 -12.881 -2.429 408 HA ASN 57 HA ASN 57 11.417 -12.274 -0.217 409 HB2 ASN 57 1HB ASN 57 12.684 -14.689 -1.327 410 HB3 ASN 57 2HB ASN 57 12.375 -14.759 0.406 411 HD21 ASN 57 2HD2 ASN 57 10.834 -14.008 -2.683 412 HD22 ASN 57 1HD2 ASN 57 9.260 -14.561 -2.233 413 H GLU 58 H GLU 58 14.677 -13.722 -0.070 414 HA GLU 58 HA GLU 58 15.113 -13.372 2.634 415 HB2 GLU 58 1HB GLU 58 17.570 -13.363 2.020 416 HB3 GLU 58 2HB GLU 58 16.635 -14.727 1.424 417 HG2 GLU 58 1HG GLU 58 16.389 -13.181 -0.699 418 HG3 GLU 58 2HG GLU 58 17.875 -12.479 -0.063 419 H PHE 59 H PHE 59 15.432 -11.063 0.024 420 HA PHE 59 HA PHE 59 16.964 -9.089 1.192 421 HB2 PHE 59 1HB PHE 59 15.910 -9.193 -1.165 422 HB3 PHE 59 2HB PHE 59 14.515 -8.418 -0.421 423 HD1 PHE 59 HD1 PHE 59 18.222 -7.974 -0.304 424 HD2 PHE 59 HD2 PHE 59 14.399 -6.166 -0.786 425 HE1 PHE 59 HE1 PHE 59 19.299 -5.779 -0.584 426 HE2 PHE 59 HE2 PHE 59 15.470 -3.969 -1.068 427 HZ PHE 59 HZ PHE 59 17.923 -3.773 -0.968 428 H ILE 60 H ILE 60 13.501 -9.703 1.575 429 HA ILE 60 HA ILE 60 13.181 -7.471 3.388 430 HB ILE 60 HB ILE 60 11.129 -9.622 2.983 431 HG12 ILE 60 1HG1 ILE 60 11.726 -7.317 1.115 432 HG13 ILE 60 2HG1 ILE 60 11.889 -9.030 0.742 433 HG21 ILE 60 1HG2 ILE 60 10.852 -7.783 4.673 434 HG22 ILE 60 2HG2 ILE 60 10.797 -6.651 3.323 435 HG23 ILE 60 3HG2 ILE 60 9.565 -7.903 3.474 436 HD11 ILE 60 3HD1 ILE 60 9.815 -9.021 -0.010 437 HD12 ILE 60 1HD1 ILE 60 9.247 -8.648 1.618 438 HD13 ILE 60 2HD1 ILE 60 9.610 -7.342 0.489 439 H SER 61 H SER 61 13.638 -10.926 3.561 440 HA SER 61 HA SER 61 12.755 -11.494 6.118 441 HB2 SER 61 1HB SER 61 13.519 -13.252 4.634 442 HB3 SER 61 2HB SER 61 15.159 -12.604 4.650 443 HG SER 61 HG SER 61 15.456 -13.844 6.309 444 H PHE 62 H PHE 62 15.929 -10.261 5.113 445 HA PHE 62 HA PHE 62 16.777 -9.978 7.872 446 HB2 PHE 62 1HB PHE 62 18.090 -10.260 5.381 447 HB3 PHE 62 2HB PHE 62 18.551 -8.686 6.022 448 HD1 PHE 62 HD1 PHE 62 17.965 -12.065 7.502 449 HD2 PHE 62 HD2 PHE 62 20.581 -8.735 7.072 450 HE1 PHE 62 HE1 PHE 62 19.592 -13.155 8.992 451 HE2 PHE 62 HE2 PHE 62 22.212 -9.820 8.560 452 HZ PHE 62 HZ PHE 62 21.720 -12.032 9.522 453 H CYS 63 H CYS 63 16.177 -7.842 5.093 454 HA CYS 63 HA CYS 63 16.717 -5.400 6.236 455 HB2 CYS 63 1HB CYS 63 16.193 -5.529 3.902 456 HB3 CYS 63 2HB CYS 63 14.587 -6.165 4.237 457 HG CYS 63 HG CYS 63 15.702 -2.973 4.424 458 H ASN 64 H ASN 64 13.826 -7.382 6.573 459 HA ASN 64 HA ASN 64 12.134 -5.548 7.800 460 HB2 ASN 64 1HB ASN 64 11.384 -7.757 7.049 461 HB3 ASN 64 2HB ASN 64 12.353 -8.525 8.304 462 HD21 ASN 64 2HD2 ASN 64 10.286 -5.657 8.423 463 HD22 ASN 64 1HD2 ASN 64 9.224 -6.260 9.645 464 H ALA 65 H ALA 65 14.767 -7.451 9.128 465 HA ALA 65 HA ALA 65 14.192 -6.894 11.864 466 HB1 ALA 65 1HB ALA 65 16.110 -8.424 10.393 467 HB2 ALA 65 2HB ALA 65 16.938 -7.444 11.604 468 HB3 ALA 65 3HB ALA 65 15.652 -8.548 12.092 469 H ASN 66 H ASN 66 15.509 -5.044 9.346 470 HA ASN 66 HA ASN 66 16.765 -3.192 11.260 471 HB2 ASN 66 1HB ASN 66 17.312 -3.745 8.351 472 HB3 ASN 66 2HB ASN 66 17.851 -2.254 9.118 473 HD21 ASN 66 2HD2 ASN 66 17.764 -5.678 10.055 474 HD22 ASN 66 1HD2 ASN 66 19.428 -5.768 10.513 475 HA PRO 67 HA PRO 67 12.891 -1.104 9.854 476 HB2 PRO 67 1HB PRO 67 12.330 -0.029 12.283 477 HB3 PRO 67 2HB PRO 67 11.836 -1.661 11.818 478 HG2 PRO 67 1HG PRO 67 14.173 -0.790 13.473 479 HG3 PRO 67 2HG PRO 67 13.054 -2.140 13.740 480 HD2 PRO 67 1HD PRO 67 15.522 -2.481 12.679 481 HD3 PRO 67 2HD PRO 67 14.141 -3.503 12.232 482 H GLY 68 H GLY 68 15.779 -0.079 11.511 483 HA2 GLY 68 1HA GLY 68 15.242 2.743 11.190 484 HA3 GLY 68 2HA GLY 68 16.727 2.023 11.794 485 H LEU 69 H LEU 69 16.554 0.264 9.241 486 HA LEU 69 HA LEU 69 18.120 2.106 7.615 487 HB2 LEU 69 1HB LEU 69 18.982 -0.146 8.145 488 HB3 LEU 69 2HB LEU 69 17.626 -0.848 7.266 489 HG LEU 69 HG LEU 69 19.608 0.980 5.936 490 HD11 LEU 69 1HD1 LEU 69 19.973 -1.777 6.834 491 HD12 LEU 69 2HD1 LEU 69 21.161 -0.583 6.313 492 HD13 LEU 69 3HD1 LEU 69 20.282 -1.533 5.115 493 HD21 LEU 69 3HD2 LEU 69 18.692 -0.891 4.144 494 HD22 LEU 69 1HD2 LEU 69 18.089 0.758 4.315 495 HD23 LEU 69 2HD2 LEU 69 17.272 -0.570 5.141 496 H MET 70 H MET 70 15.372 -0.121 7.204 497 HA MET 70 HA MET 70 14.765 0.421 4.562 498 HB2 MET 70 1HB MET 70 12.407 -0.199 5.188 499 HB3 MET 70 2HB MET 70 13.635 -1.362 5.668 500 HG2 MET 70 1HG MET 70 13.571 -0.533 7.942 501 HG3 MET 70 2HG MET 70 12.401 0.700 7.478 502 HE1 MET 70 3HE MET 70 12.460 -3.524 8.140 503 HE2 MET 70 1HE MET 70 11.522 -3.635 6.650 504 HE3 MET 70 2HE MET 70 13.093 -2.834 6.645 505 H LYS 71 H LYS 71 14.340 2.409 7.351 506 HA LYS 71 HA LYS 71 12.401 4.167 6.141 507 HB2 LYS 71 1HB LYS 71 14.003 4.273 8.690 508 HB3 LYS 71 2HB LYS 71 12.986 5.611 8.174 509 HG2 LYS 71 1HG LYS 71 11.055 4.043 8.134 510 HG3 LYS 71 2HG LYS 71 12.108 2.808 8.828 511 HD2 LYS 71 1HD LYS 71 11.633 5.498 10.101 512 HD3 LYS 71 2HD LYS 71 10.682 4.060 10.480 513 HE2 LYS 71 1HE LYS 71 12.476 2.983 11.478 514 HE3 LYS 71 2HE LYS 71 13.668 3.977 10.642 515 HZ1 LYS 71 3HZ LYS 71 13.267 5.770 12.061 516 HZ2 LYS 71 1HZ LYS 71 13.295 4.430 13.093 517 HZ3 LYS 71 2HZ LYS 71 11.818 5.121 12.645 518 H ASP 72 H ASP 72 15.864 3.976 6.419 519 HA ASP 72 HA ASP 72 16.257 6.699 5.489 520 HB2 ASP 72 1HB ASP 72 17.835 4.756 6.869 521 HB3 ASP 72 2HB ASP 72 18.683 5.221 5.397 522 H VAL 73 H VAL 73 16.564 3.402 4.276 523 HA VAL 73 HA VAL 73 17.725 4.111 1.779 524 HB VAL 73 HB VAL 73 17.950 1.850 2.634 525 HG11 VAL 73 1HG1 VAL 73 15.174 1.074 2.011 526 HG12 VAL 73 2HG1 VAL 73 16.253 0.511 3.289 527 HG13 VAL 73 3HG1 VAL 73 15.397 2.043 3.467 528 HG21 VAL 73 3HG2 VAL 73 18.102 2.100 0.245 529 HG22 VAL 73 1HG2 VAL 73 17.257 0.595 0.607 530 HG23 VAL 73 2HG2 VAL 73 16.349 2.013 0.083 531 H ALA 74 H ALA 74 14.419 3.654 2.904 532 HA ALA 74 HA ALA 74 13.245 3.865 0.300 533 HB1 ALA 74 1HB ALA 74 11.768 4.359 2.861 534 HB2 ALA 74 2HB ALA 74 11.180 3.651 1.356 535 HB3 ALA 74 3HB ALA 74 12.272 2.734 2.395 536 H LYS 75 H LYS 75 14.870 6.089 1.986 537 HA LYS 75 HA LYS 75 13.049 8.324 1.560 538 HB2 LYS 75 1HB LYS 75 14.308 9.489 3.049 539 HB3 LYS 75 2HB LYS 75 14.806 7.876 3.540 540 HG2 LYS 75 1HG LYS 75 16.716 8.151 1.864 541 HG3 LYS 75 2HG LYS 75 16.293 9.864 1.862 542 HD2 LYS 75 1HD LYS 75 16.694 8.469 4.469 543 HD3 LYS 75 2HD LYS 75 18.106 8.931 3.515 544 HE2 LYS 75 1HE LYS 75 16.910 11.245 3.390 545 HE3 LYS 75 2HE LYS 75 16.030 10.658 4.800 546 HZ1 LYS 75 3HZ LYS 75 18.279 10.188 5.793 547 HZ2 LYS 75 1HZ LYS 75 17.882 11.823 5.617 548 HZ3 LYS 75 2HZ LYS 75 18.947 11.089 4.527 549 H VAL 76 H VAL 76 15.909 6.885 0.181 550 HA VAL 76 HA VAL 76 15.854 8.930 -1.940 551 HB VAL 76 HB VAL 76 17.855 9.195 -0.499 552 HG11 VAL 76 1HG1 VAL 76 19.126 6.765 -1.577 553 HG12 VAL 76 2HG1 VAL 76 19.293 7.531 0.004 554 HG13 VAL 76 3HG1 VAL 76 17.900 6.504 -0.337 555 HG21 VAL 76 3HG2 VAL 76 19.423 8.524 -2.677 556 HG22 VAL 76 1HG2 VAL 76 17.823 8.784 -3.371 557 HG23 VAL 76 2HG2 VAL 76 18.590 10.057 -2.422 558 H PHE 77 H PHE 77 16.335 5.579 -1.046 559 HA PHE 77 HA PHE 77 16.565 4.805 -3.860 560 HB2 PHE 77 1HB PHE 77 17.324 3.580 -1.281 561 HB3 PHE 77 2HB PHE 77 16.723 2.462 -2.501 562 HD1 PHE 77 HD2 PHE 77 18.672 5.552 -3.090 563 HD2 PHE 77 HD1 PHE 77 18.676 1.295 -3.052 564 HE1 PHE 77 HE2 PHE 77 20.883 5.547 -4.169 565 HE2 PHE 77 HE1 PHE 77 20.888 1.284 -4.130 566 HZ PHE 77 HZ PHE 77 21.994 3.412 -4.692 Start of MODEL 3 1 H1 ALA 1 H ALA 1 3.425 -0.423 3.058 2 HA ALA 1 HA ALA 1 2.288 -0.300 0.931 3 HB1 ALA 1 1HB ALA 1 2.778 1.866 2.058 4 HB2 ALA 1 2HB ALA 1 4.226 2.004 1.060 5 HB3 ALA 1 3HB ALA 1 2.633 1.986 0.304 6 H ASP 2 H ASP 2 4.309 -2.182 0.470 7 HA ASP 2 HA ASP 2 5.617 -3.083 -1.163 8 HB2 ASP 2 1HB ASP 2 4.270 -1.250 -3.126 9 HB3 ASP 2 2HB ASP 2 4.777 -2.924 -3.343 10 H ASP 3 H ASP 3 6.898 -1.072 0.203 11 HA ASP 3 HA ASP 3 8.095 0.792 -1.639 12 HB2 ASP 3 1HB ASP 3 9.563 1.339 0.337 13 HB3 ASP 3 2HB ASP 3 7.836 1.542 0.615 14 H MET 4 H MET 4 9.029 -2.220 -0.054 15 HA MET 4 HA MET 4 11.724 -2.276 -0.760 16 HB2 MET 4 1HB MET 4 9.777 -4.566 -0.439 17 HB3 MET 4 2HB MET 4 11.523 -4.752 -0.544 18 HG2 MET 4 1HG MET 4 10.121 -3.143 1.575 19 HG3 MET 4 2HG MET 4 10.611 -4.825 1.764 20 HE1 MET 4 3HE MET 4 13.262 -5.475 2.526 21 HE2 MET 4 1HE MET 4 13.040 -5.440 0.777 22 HE3 MET 4 2HE MET 4 14.449 -4.666 1.502 23 H GLU 5 H GLU 5 8.896 -2.737 -2.686 24 HA GLU 5 HA GLU 5 10.014 -4.256 -4.785 25 HB2 GLU 5 1HB GLU 5 7.632 -4.094 -4.612 26 HB3 GLU 5 2HB GLU 5 7.686 -2.339 -4.705 27 HG2 GLU 5 1HG GLU 5 8.410 -2.447 -7.007 28 HG3 GLU 5 2HG GLU 5 8.476 -4.206 -6.929 29 H ARG 6 H ARG 6 9.244 -0.770 -4.748 30 HA ARG 6 HA ARG 6 10.623 -0.129 -7.088 31 HB2 ARG 6 1HB ARG 6 10.658 2.218 -6.114 32 HB3 ARG 6 2HB ARG 6 9.078 1.460 -6.264 33 HG2 ARG 6 1HG ARG 6 9.034 0.961 -3.915 34 HG3 ARG 6 2HG ARG 6 10.688 1.544 -3.723 35 HD2 ARG 6 1HD ARG 6 8.303 3.196 -4.548 36 HD3 ARG 6 2HD ARG 6 9.075 3.208 -2.963 37 HE ARG 6 HE ARG 6 10.006 4.504 -5.363 38 HH11 ARG 6 1HH1 ARG 6 10.872 3.276 -2.223 39 HH12 ARG 6 2HH1 ARG 6 12.269 4.288 -2.068 40 HH21 ARG 6 1HH2 ARG 6 11.843 5.843 -5.171 41 HH22 ARG 6 2HH2 ARG 6 12.820 5.749 -3.745 42 H ILE 7 H ILE 7 11.708 -0.174 -3.724 43 HA ILE 7 HA ILE 7 14.269 0.930 -4.200 44 HB ILE 7 HB ILE 7 13.310 -0.859 -1.965 45 HG12 ILE 7 1HG1 ILE 7 13.915 2.048 -1.658 46 HG13 ILE 7 2HG1 ILE 7 12.412 1.592 -2.452 47 HG21 ILE 7 1HG2 ILE 7 15.944 0.381 -2.528 48 HG22 ILE 7 2HG2 ILE 7 15.369 0.404 -0.862 49 HG23 ILE 7 3HG2 ILE 7 15.554 -1.132 -1.709 50 HD11 ILE 7 3HD1 ILE 7 13.175 1.449 0.363 51 HD12 ILE 7 1HD1 ILE 7 11.583 1.590 -0.381 52 HD13 ILE 7 2HD1 ILE 7 12.358 0.011 -0.247 53 H PHE 8 H PHE 8 13.008 -2.349 -4.275 54 HA PHE 8 HA PHE 8 15.440 -3.741 -4.336 55 HB2 PHE 8 1HB PHE 8 13.449 -4.989 -3.964 56 HB3 PHE 8 2HB PHE 8 12.713 -4.393 -5.448 57 HD1 PHE 8 HD1 PHE 8 15.153 -6.722 -4.024 58 HD2 PHE 8 HD2 PHE 8 13.254 -5.358 -7.580 59 HE1 PHE 8 HE1 PHE 8 15.988 -8.701 -5.225 60 HE2 PHE 8 HE2 PHE 8 14.084 -7.335 -8.786 61 HZ PHE 8 HZ PHE 8 15.452 -9.010 -7.608 62 H LYS 9 H LYS 9 13.683 -2.029 -6.817 63 HA LYS 9 HA LYS 9 14.954 -3.115 -9.080 64 HB2 LYS 9 1HB LYS 9 13.982 -0.270 -8.861 65 HB3 LYS 9 2HB LYS 9 14.051 -1.284 -10.296 66 HG2 LYS 9 1HG LYS 9 12.184 -1.565 -7.955 67 HG3 LYS 9 2HG LYS 9 11.775 -1.101 -9.608 68 HD2 LYS 9 1HD LYS 9 12.869 -3.778 -8.742 69 HD3 LYS 9 2HD LYS 9 11.188 -3.435 -9.160 70 HE2 LYS 9 1HE LYS 9 12.387 -2.524 -11.375 71 HE3 LYS 9 2HE LYS 9 13.560 -3.751 -10.902 72 HZ1 LYS 9 3HZ LYS 9 10.836 -4.065 -11.867 73 HZ2 LYS 9 1HZ LYS 9 11.307 -5.120 -10.631 74 HZ3 LYS 9 2HZ LYS 9 12.183 -5.067 -12.077 75 H ARG 10 H ARG 10 16.018 -0.862 -6.695 76 HA ARG 10 HA ARG 10 18.146 0.229 -8.320 77 HB2 ARG 10 1HB ARG 10 17.874 0.492 -5.331 78 HB3 ARG 10 2HB ARG 10 18.694 1.575 -6.448 79 HG2 ARG 10 1HG ARG 10 15.719 1.120 -6.379 80 HG3 ARG 10 2HG ARG 10 16.555 2.466 -5.602 81 HD2 ARG 10 1HD ARG 10 16.527 1.844 -8.553 82 HD3 ARG 10 2HD ARG 10 15.637 3.139 -7.755 83 HE ARG 10 HE ARG 10 18.413 3.139 -8.478 84 HH11 ARG 10 1HH1 ARG 10 16.038 4.452 -6.297 85 HH12 ARG 10 2HH1 ARG 10 16.945 5.891 -5.969 86 HH21 ARG 10 1HH2 ARG 10 19.616 5.029 -8.054 87 HH22 ARG 10 2HH2 ARG 10 18.980 6.219 -6.970 88 H PHE 11 H PHE 11 17.994 -1.752 -5.357 89 HA PHE 11 HA PHE 11 20.696 -2.324 -5.131 90 HB2 PHE 11 1HB PHE 11 18.235 -3.852 -4.320 91 HB3 PHE 11 2HB PHE 11 19.846 -4.486 -4.004 92 HD1 PHE 11 HD1 PHE 11 17.717 -1.493 -3.441 93 HD2 PHE 11 HD2 PHE 11 20.987 -3.858 -2.088 94 HE1 PHE 11 HE1 PHE 11 17.837 -0.146 -1.385 95 HE2 PHE 11 HE2 PHE 11 21.112 -2.515 -0.031 96 HZ PHE 11 HZ PHE 11 19.535 -0.657 0.324 97 H ASP 12 H ASP 12 18.284 -3.719 -7.236 98 HA ASP 12 HA ASP 12 20.118 -5.800 -8.137 99 HB2 ASP 12 1HB ASP 12 17.823 -6.488 -7.821 100 HB3 ASP 12 2HB ASP 12 17.246 -5.188 -8.859 101 H THR 13 H THR 13 21.483 -3.813 -8.831 102 HA THR 13 HA THR 13 20.818 -2.251 -11.040 103 HB THR 13 HB THR 13 23.504 -3.236 -10.080 104 HG1 THR 13 HG1 THR 13 22.005 -1.561 -8.984 105 HG21 THR 13 3HG2 THR 13 22.901 -1.214 -12.240 106 HG22 THR 13 1HG2 THR 13 23.697 -2.772 -12.458 107 HG23 THR 13 2HG2 THR 13 24.490 -1.498 -11.531 108 H ASN 14 H ASN 14 21.621 -5.591 -10.851 109 HA ASN 14 HA ASN 14 22.407 -5.845 -13.615 110 HB2 ASN 14 1HB ASN 14 23.425 -7.405 -12.148 111 HB3 ASN 14 2HB ASN 14 21.885 -7.832 -11.408 112 HD21 ASN 14 2HD2 ASN 14 22.446 -7.455 -14.844 113 HD22 ASN 14 1HD2 ASN 14 22.202 -9.115 -15.258 114 H GLY 15 H GLY 15 19.485 -5.550 -11.985 115 HA2 GLY 15 1HA GLY 15 17.292 -5.951 -12.555 116 HA3 GLY 15 2HA GLY 15 17.852 -5.650 -14.193 117 H ASP 16 H ASP 16 18.628 -8.327 -11.999 118 HA ASP 16 HA ASP 16 17.483 -10.163 -14.002 119 HB2 ASP 16 1HB ASP 16 19.438 -11.244 -14.040 120 HB3 ASP 16 2HB ASP 16 20.106 -10.049 -12.932 121 H GLY 17 H GLY 17 17.282 -9.022 -10.827 122 HA2 GLY 17 1HA GLY 17 15.346 -9.611 -9.514 123 HA3 GLY 17 2HA GLY 17 15.474 -11.247 -10.144 124 H LYS 18 H LYS 18 18.456 -9.848 -9.299 125 HA LYS 18 HA LYS 18 18.396 -10.754 -6.544 126 HB2 LYS 18 1HB LYS 18 20.454 -11.954 -8.386 127 HB3 LYS 18 2HB LYS 18 20.072 -12.415 -6.733 128 HG2 LYS 18 1HG LYS 18 17.915 -13.282 -7.459 129 HG3 LYS 18 2HG LYS 18 18.271 -12.794 -9.118 130 HD2 LYS 18 1HD LYS 18 20.255 -14.524 -7.751 131 HD3 LYS 18 2HD LYS 18 18.723 -15.263 -8.220 132 HE2 LYS 18 1HE LYS 18 20.199 -15.596 -10.036 133 HE3 LYS 18 2HE LYS 18 19.107 -14.300 -10.522 134 HZ1 LYS 18 3HZ LYS 18 21.775 -13.784 -9.345 135 HZ2 LYS 18 1HZ LYS 18 20.767 -12.693 -10.155 136 HZ3 LYS 18 2HZ LYS 18 21.527 -13.938 -11.011 137 H ILE 19 H ILE 19 20.354 -10.191 -5.367 138 HA ILE 19 HA ILE 19 21.762 -7.929 -6.625 139 HB ILE 19 HB ILE 19 21.596 -8.286 -3.656 140 HG12 ILE 19 1HG1 ILE 19 19.282 -8.413 -4.404 141 HG13 ILE 19 2HG1 ILE 19 19.577 -6.850 -3.648 142 HG21 ILE 19 1HG2 ILE 19 22.514 -6.274 -5.533 143 HG22 ILE 19 2HG2 ILE 19 21.412 -5.612 -4.327 144 HG23 ILE 19 3HG2 ILE 19 22.869 -6.464 -3.816 145 HD11 ILE 19 3HD1 ILE 19 20.106 -6.348 -6.287 146 HD12 ILE 19 1HD1 ILE 19 18.768 -7.494 -6.365 147 HD13 ILE 19 2HD1 ILE 19 18.594 -5.996 -5.449 148 H SER 20 H SER 20 23.815 -8.308 -7.094 149 HA SER 20 HA SER 20 25.251 -10.407 -5.631 150 HB2 SER 20 1HB SER 20 26.914 -10.135 -7.560 151 HB3 SER 20 2HB SER 20 25.341 -10.824 -7.960 152 HG SER 20 HG SER 20 25.151 -9.251 -9.324 153 H LEU 21 H LEU 21 27.818 -9.798 -5.890 154 HA LEU 21 HA LEU 21 28.229 -7.773 -3.949 155 HB2 LEU 21 1HB LEU 21 30.392 -8.868 -5.710 156 HB3 LEU 21 2HB LEU 21 30.497 -8.333 -4.035 157 HG LEU 21 HG LEU 21 29.298 -10.893 -5.075 158 HD11 LEU 21 1HD1 LEU 21 31.185 -11.885 -4.423 159 HD12 LEU 21 2HD1 LEU 21 31.241 -10.980 -2.911 160 HD13 LEU 21 3HD1 LEU 21 31.884 -10.266 -4.389 161 HD21 LEU 21 3HD2 LEU 21 27.932 -10.903 -3.325 162 HD22 LEU 21 1HD2 LEU 21 28.609 -9.388 -2.726 163 HD23 LEU 21 2HD2 LEU 21 29.351 -10.924 -2.276 164 H SER 22 H SER 22 28.046 -7.733 -7.373 165 HA SER 22 HA SER 22 29.528 -5.258 -7.665 166 HB2 SER 22 1HB SER 22 28.913 -7.362 -9.380 167 HB3 SER 22 2HB SER 22 27.914 -6.031 -9.962 168 HG SER 22 HG SER 22 29.813 -5.719 -10.964 169 H GLU 23 H GLU 23 26.192 -6.346 -7.566 170 HA GLU 23 HA GLU 23 25.138 -3.749 -8.265 171 HB2 GLU 23 1HB GLU 23 23.641 -6.117 -7.136 172 HB3 GLU 23 2HB GLU 23 22.965 -4.745 -8.003 173 HG2 GLU 23 1HG GLU 23 23.841 -5.463 -10.052 174 HG3 GLU 23 2HG GLU 23 24.949 -6.595 -9.277 175 H LEU 24 H LEU 24 25.113 -5.806 -5.357 176 HA LEU 24 HA LEU 24 23.814 -4.103 -3.619 177 HB2 LEU 24 1HB LEU 24 24.734 -6.509 -3.301 178 HB3 LEU 24 2HB LEU 24 26.179 -5.694 -2.708 179 HG LEU 24 HG LEU 24 23.535 -5.009 -1.506 180 HD11 LEU 24 1HD1 LEU 24 24.995 -7.166 -0.166 181 HD12 LEU 24 2HD1 LEU 24 24.225 -7.632 -1.682 182 HD13 LEU 24 3HD1 LEU 24 23.261 -6.929 -0.384 183 HD21 LEU 24 3HD2 LEU 24 25.972 -4.031 -1.073 184 HD22 LEU 24 1HD2 LEU 24 26.038 -5.406 0.029 185 HD23 LEU 24 2HD2 LEU 24 24.774 -4.190 0.212 186 H THR 25 H THR 25 27.321 -4.312 -4.204 187 HA THR 25 HA THR 25 28.198 -2.362 -2.469 188 HB THR 25 HB THR 25 29.750 -3.752 -3.735 189 HG1 THR 25 HG1 THR 25 30.200 -1.037 -4.455 190 HG21 THR 25 3HG2 THR 25 28.417 -3.642 -5.877 191 HG22 THR 25 1HG2 THR 25 30.163 -3.483 -6.062 192 HG23 THR 25 2HG2 THR 25 29.134 -2.054 -6.148 193 H ASP 26 H ASP 26 26.934 -1.958 -5.752 194 HA ASP 26 HA ASP 26 27.425 0.765 -6.070 195 HB2 ASP 26 1HB ASP 26 25.103 -0.864 -7.127 196 HB3 ASP 26 2HB ASP 26 25.581 0.725 -7.718 197 H ALA 27 H ALA 27 25.087 -0.876 -4.124 198 HA ALA 27 HA ALA 27 23.395 1.441 -3.770 199 HB1 ALA 27 1HB ALA 27 22.983 -1.252 -3.510 200 HB2 ALA 27 2HB ALA 27 23.091 -0.722 -1.831 201 HB3 ALA 27 3HB ALA 27 21.905 0.010 -2.912 202 H LEU 28 H LEU 28 25.252 -0.564 -1.469 203 HA LEU 28 HA LEU 28 25.159 1.133 0.697 204 HB2 LEU 28 1HB LEU 28 27.561 -0.520 -0.052 205 HB3 LEU 28 2HB LEU 28 27.064 -0.022 1.564 206 HG LEU 28 HG LEU 28 25.781 -2.090 -0.209 207 HD11 LEU 28 1HD1 LEU 28 26.254 -2.913 2.468 208 HD12 LEU 28 2HD1 LEU 28 27.731 -2.183 1.841 209 HD13 LEU 28 3HD1 LEU 28 26.976 -3.524 0.980 210 HD21 LEU 28 3HD2 LEU 28 23.880 -1.163 0.680 211 HD22 LEU 28 1HD2 LEU 28 24.701 -0.605 2.138 212 HD23 LEU 28 2HD2 LEU 28 24.305 -2.313 1.949 213 H ARG 29 H ARG 29 27.410 1.169 -2.024 214 HA ARG 29 HA ARG 29 29.120 3.178 -1.007 215 HB2 ARG 29 1HB ARG 29 30.095 3.245 -3.160 216 HB3 ARG 29 2HB ARG 29 29.588 1.578 -2.924 217 HG2 ARG 29 1HG ARG 29 28.750 1.835 -4.993 218 HG3 ARG 29 2HG ARG 29 27.394 2.556 -4.123 219 HD2 ARG 29 1HD ARG 29 27.762 4.237 -5.600 220 HD3 ARG 29 2HD ARG 29 28.925 4.724 -4.367 221 HE ARG 29 HE ARG 29 30.619 4.249 -5.830 222 HH11 ARG 29 1HH1 ARG 29 27.680 2.774 -6.973 223 HH12 ARG 29 2HH1 ARG 29 28.359 2.292 -8.492 224 HH21 ARG 29 1HH2 ARG 29 31.524 3.621 -7.827 225 HH22 ARG 29 2HH2 ARG 29 30.545 2.774 -8.977 226 H THR 30 H THR 30 26.056 3.265 -2.645 227 HA THR 30 HA THR 30 26.234 6.088 -3.264 228 HB THR 30 HB THR 30 23.949 4.127 -3.527 229 HG1 THR 30 HG1 THR 30 24.458 4.317 -5.748 230 HG21 THR 30 3HG2 THR 30 22.842 6.163 -3.294 231 HG22 THR 30 1HG2 THR 30 23.054 6.029 -5.039 232 HG23 THR 30 2HG2 THR 30 24.126 7.065 -4.097 233 H LEU 31 H LEU 31 24.384 4.020 -1.045 234 HA LEU 31 HA LEU 31 22.921 6.092 0.178 235 HB2 LEU 31 1HB LEU 31 23.759 3.492 1.444 236 HB3 LEU 31 2HB LEU 31 22.386 4.502 1.891 237 HG LEU 31 HG LEU 31 22.701 2.773 -0.551 238 HD11 LEU 31 1HD1 LEU 31 21.027 1.476 0.326 239 HD12 LEU 31 2HD1 LEU 31 20.364 2.790 1.297 240 HD13 LEU 31 3HD1 LEU 31 21.852 1.987 1.798 241 HD21 LEU 31 3HD2 LEU 31 20.474 4.725 0.014 242 HD22 LEU 31 1HD2 LEU 31 20.621 3.652 -1.378 243 HD23 LEU 31 2HD2 LEU 31 21.759 4.983 -1.167 244 H GLY 32 H GLY 32 26.201 5.165 0.448 245 HA2 GLY 32 1HA GLY 32 26.715 7.297 2.310 246 HA3 GLY 32 2HA GLY 32 26.963 5.703 3.007 247 H SER 33 H SER 33 28.476 4.258 1.857 248 HA SER 33 HA SER 33 30.185 4.794 -0.159 249 HB2 SER 33 1HB SER 33 32.203 5.722 1.275 250 HB3 SER 33 2HB SER 33 31.031 6.823 0.552 251 HG SER 33 HG SER 33 31.589 7.053 2.900 252 H THR 34 H THR 34 31.035 2.854 -0.447 253 HA THR 34 HA THR 34 32.732 1.572 1.390 254 HB THR 34 HB THR 34 30.401 1.202 2.443 255 HG1 THR 34 HG1 THR 34 32.467 -0.029 2.783 256 HG21 THR 34 3HG2 THR 34 29.314 0.559 0.298 257 HG22 THR 34 1HG2 THR 34 29.114 -0.642 1.573 258 HG23 THR 34 2HG2 THR 34 30.291 -0.909 0.287 259 H SER 35 H SER 35 33.047 -0.840 0.708 260 HA SER 35 HA SER 35 32.820 -0.997 -2.226 261 HB2 SER 35 1HB SER 35 35.109 -2.016 -0.527 262 HB3 SER 35 2HB SER 35 34.994 -2.108 -2.284 263 HG SER 35 HG SER 35 34.733 0.329 -2.026 264 H ALA 36 H ALA 36 33.674 -3.501 -2.705 265 HA ALA 36 HA ALA 36 31.448 -5.088 -1.945 266 HB1 ALA 36 1HB ALA 36 33.795 -6.504 -3.002 267 HB2 ALA 36 2HB ALA 36 32.125 -6.488 -3.568 268 HB3 ALA 36 3HB ALA 36 33.213 -5.169 -3.999 269 H ASP 37 H ASP 37 34.625 -4.640 -0.638 270 HA ASP 37 HA ASP 37 35.082 -6.994 0.722 271 HB2 ASP 37 1HB ASP 37 36.503 -4.822 0.580 272 HB3 ASP 37 2HB ASP 37 35.626 -4.345 2.031 273 H GLU 38 H GLU 38 32.799 -4.456 1.434 274 HA GLU 38 HA GLU 38 32.081 -5.755 3.965 275 HB2 GLU 38 1HB GLU 38 30.768 -3.232 3.093 276 HB3 GLU 38 2HB GLU 38 31.247 -3.751 4.703 277 HG2 GLU 38 1HG GLU 38 33.667 -3.467 3.700 278 HG3 GLU 38 2HG GLU 38 32.827 -2.373 2.603 279 H VAL 39 H VAL 39 31.076 -5.412 0.726 280 HA VAL 39 HA VAL 39 28.275 -5.715 1.063 281 HB VAL 39 HB VAL 39 30.105 -6.221 -1.274 282 HG11 VAL 39 1HG1 VAL 39 27.130 -6.638 -1.086 283 HG12 VAL 39 2HG1 VAL 39 27.981 -6.417 -2.616 284 HG13 VAL 39 3HG1 VAL 39 28.360 -7.798 -1.587 285 HG21 VAL 39 3HG2 VAL 39 29.747 -4.081 -1.760 286 HG22 VAL 39 1HG2 VAL 39 28.000 -4.296 -1.651 287 HG23 VAL 39 2HG2 VAL 39 28.934 -3.916 -0.204 288 H GLN 40 H GLN 40 30.750 -8.063 0.013 289 HA GLN 40 HA GLN 40 29.149 -10.318 -0.040 290 HB2 GLN 40 1HB GLN 40 31.334 -11.558 0.484 291 HB3 GLN 40 2HB GLN 40 31.293 -10.553 -0.959 292 HG2 GLN 40 1HG GLN 40 32.719 -8.996 -0.089 293 HG3 GLN 40 2HG GLN 40 32.264 -9.350 1.577 294 HE21 GLN 40 2HE2 GLN 40 32.660 -11.989 1.812 295 HE22 GLN 40 1HE2 GLN 40 34.320 -12.389 1.552 296 H ARG 41 H ARG 41 30.388 -8.578 2.673 297 HA ARG 41 HA ARG 41 29.941 -10.737 4.550 298 HB2 ARG 41 1HB ARG 41 30.447 -7.856 5.262 299 HB3 ARG 41 2HB ARG 41 30.808 -9.294 6.208 300 HG2 ARG 41 1HG ARG 41 32.551 -9.913 4.625 301 HG3 ARG 41 2HG ARG 41 32.177 -8.491 3.649 302 HD2 ARG 41 1HD ARG 41 33.149 -7.052 5.125 303 HD3 ARG 41 2HD ARG 41 32.776 -8.063 6.521 304 HE ARG 41 HE ARG 41 35.160 -8.122 4.934 305 HH11 ARG 41 1HH1 ARG 41 33.063 -10.003 6.979 306 HH12 ARG 41 2HH1 ARG 41 34.302 -11.123 7.441 307 HH21 ARG 41 1HH2 ARG 41 36.800 -9.589 5.535 308 HH22 ARG 41 2HH2 ARG 41 36.428 -10.886 6.620 309 H MET 42 H MET 42 28.270 -7.918 3.364 310 HA MET 42 HA MET 42 26.290 -7.910 5.453 311 HB2 MET 42 1HB MET 42 26.757 -5.807 4.435 312 HB3 MET 42 2HB MET 42 26.521 -6.460 2.819 313 HG2 MET 42 1HG MET 42 24.264 -6.320 2.936 314 HG3 MET 42 2HG MET 42 24.225 -6.604 4.675 315 HE1 MET 42 3HE MET 42 26.215 -3.959 5.813 316 HE2 MET 42 1HE MET 42 24.648 -3.345 6.341 317 HE3 MET 42 2HE MET 42 24.971 -5.079 6.370 318 H MET 43 H MET 43 26.422 -8.938 2.060 319 HA MET 43 HA MET 43 23.716 -9.865 2.023 320 HB2 MET 43 1HB MET 43 24.407 -10.928 -0.145 321 HB3 MET 43 2HB MET 43 24.676 -9.193 -0.057 322 HG2 MET 43 1HG MET 43 26.783 -9.514 -0.626 323 HG3 MET 43 2HG MET 43 27.031 -10.416 0.867 324 HE1 MET 43 3HE MET 43 24.594 -11.552 -2.024 325 HE2 MET 43 1HE MET 43 25.862 -10.653 -2.858 326 HE3 MET 43 2HE MET 43 25.719 -12.395 -3.090 327 H ALA 44 H ALA 44 26.732 -11.184 3.023 328 HA ALA 44 HA ALA 44 26.233 -13.928 2.693 329 HB1 ALA 44 1HB ALA 44 28.035 -12.328 4.450 330 HB2 ALA 44 2HB ALA 44 27.856 -14.059 4.738 331 HB3 ALA 44 3HB ALA 44 28.436 -13.480 3.176 332 H GLU 45 H GLU 45 25.204 -11.640 5.128 333 HA GLU 45 HA GLU 45 24.112 -13.759 6.807 334 HB2 GLU 45 1HB GLU 45 23.445 -11.835 8.290 335 HB3 GLU 45 2HB GLU 45 25.175 -12.016 8.033 336 HG2 GLU 45 1HG GLU 45 25.123 -10.231 6.374 337 HG3 GLU 45 2HG GLU 45 23.386 -10.053 6.616 338 H ILE 46 H ILE 46 23.125 -11.539 4.378 339 HA ILE 46 HA ILE 46 20.322 -11.599 5.084 340 HB ILE 46 HB ILE 46 21.720 -10.525 2.632 341 HG12 ILE 46 1HG1 ILE 46 20.449 -9.052 4.947 342 HG13 ILE 46 2HG1 ILE 46 22.174 -9.372 4.813 343 HG21 ILE 46 1HG2 ILE 46 19.577 -9.395 2.159 344 HG22 ILE 46 2HG2 ILE 46 19.459 -11.151 2.064 345 HG23 ILE 46 3HG2 ILE 46 18.835 -10.301 3.477 346 HD11 ILE 46 3HD1 ILE 46 20.567 -7.794 2.820 347 HD12 ILE 46 1HD1 ILE 46 21.536 -7.097 4.117 348 HD13 ILE 46 2HD1 ILE 46 22.315 -8.021 2.832 349 H ASP 47 H ASP 47 22.473 -13.186 2.805 350 HA ASP 47 HA ASP 47 20.580 -14.365 1.127 351 HB2 ASP 47 1HB ASP 47 23.360 -14.464 1.434 352 HB3 ASP 47 2HB ASP 47 22.824 -16.131 1.621 353 H THR 48 H THR 48 18.906 -15.552 1.759 354 HA THR 48 HA THR 48 18.864 -17.027 4.200 355 HB THR 48 HB THR 48 16.930 -17.083 1.876 356 HG1 THR 48 HG1 THR 48 17.380 -15.110 3.377 357 HG21 THR 48 3HG2 THR 48 15.496 -17.762 4.084 358 HG22 THR 48 1HG2 THR 48 17.036 -18.550 4.422 359 HG23 THR 48 2HG2 THR 48 16.164 -18.921 2.935 360 H ASP 49 H ASP 49 19.601 -17.783 0.887 361 HA ASP 49 HA ASP 49 19.869 -20.627 1.609 362 HB2 ASP 49 1HB ASP 49 19.971 -20.633 -1.111 363 HB3 ASP 49 2HB ASP 49 18.500 -20.880 -0.174 364 H GLY 50 H GLY 50 21.546 -17.801 0.817 365 HA2 GLY 50 1HA GLY 50 23.754 -17.356 0.376 366 HA3 GLY 50 2HA GLY 50 24.081 -18.900 1.149 367 H ASP 51 H ASP 51 23.217 -17.397 -1.934 368 HA ASP 51 HA ASP 51 24.635 -19.592 -3.290 369 HB2 ASP 51 1HB ASP 51 23.022 -19.755 -4.967 370 HB3 ASP 51 2HB ASP 51 22.049 -19.533 -3.515 371 H GLY 52 H GLY 52 25.299 -16.754 -2.397 372 HA2 GLY 52 1HA GLY 52 26.861 -15.253 -3.233 373 HA3 GLY 52 2HA GLY 52 26.750 -16.053 -4.794 374 H PHE 53 H PHE 53 23.674 -15.379 -3.737 375 HA PHE 53 HA PHE 53 23.619 -12.663 -4.807 376 HB2 PHE 53 1HB PHE 53 21.989 -14.946 -5.935 377 HB3 PHE 53 2HB PHE 53 21.718 -13.248 -6.311 378 HD1 PHE 53 HD2 PHE 53 23.941 -16.116 -6.779 379 HD2 PHE 53 HD1 PHE 53 23.211 -12.039 -7.758 380 HE1 PHE 53 HE2 PHE 53 25.588 -16.262 -8.600 381 HE2 PHE 53 HE1 PHE 53 24.856 -12.178 -9.582 382 HZ PHE 53 HZ PHE 53 26.048 -14.292 -10.005 383 H ILE 54 H ILE 54 21.739 -11.476 -4.251 384 HA ILE 54 HA ILE 54 20.259 -12.644 -1.990 385 HB ILE 54 HB ILE 54 20.955 -9.775 -2.602 386 HG12 ILE 54 1HG1 ILE 54 22.710 -11.120 -1.518 387 HG13 ILE 54 2HG1 ILE 54 22.095 -9.873 -0.438 388 HG21 ILE 54 1HG2 ILE 54 19.749 -9.801 -0.124 389 HG22 ILE 54 2HG2 ILE 54 19.031 -9.215 -1.624 390 HG23 ILE 54 3HG2 ILE 54 18.728 -10.867 -1.089 391 HD11 ILE 54 3HD1 ILE 54 22.241 -11.713 0.937 392 HD12 ILE 54 1HD1 ILE 54 20.549 -11.747 0.444 393 HD13 ILE 54 2HD1 ILE 54 21.713 -12.828 -0.322 394 H ASP 55 H ASP 55 18.386 -13.417 -2.762 395 HA ASP 55 HA ASP 55 16.990 -12.342 -4.978 396 HB2 ASP 55 1HB ASP 55 15.722 -14.024 -2.825 397 HB3 ASP 55 2HB ASP 55 15.329 -13.963 -4.541 398 H PHE 56 H PHE 56 14.376 -12.122 -4.321 399 HA PHE 56 HA PHE 56 14.312 -9.530 -3.046 400 HB2 PHE 56 1HB PHE 56 13.007 -10.234 -5.148 401 HB3 PHE 56 2HB PHE 56 11.913 -11.056 -4.039 402 HD1 PHE 56 HD1 PHE 56 11.171 -9.500 -1.982 403 HD2 PHE 56 HD2 PHE 56 12.415 -8.129 -5.814 404 HE1 PHE 56 HE1 PHE 56 9.953 -7.392 -1.620 405 HE2 PHE 56 HE2 PHE 56 11.201 -6.019 -5.458 406 HZ PHE 56 HZ PHE 56 9.968 -5.648 -3.359 407 H ASN 57 H ASN 57 13.003 -12.762 -2.443 408 HA ASN 57 HA ASN 57 11.422 -12.191 -0.227 409 HB2 ASN 57 1HB ASN 57 12.688 -14.588 -1.373 410 HB3 ASN 57 2HB ASN 57 12.374 -14.687 0.357 411 HD21 ASN 57 2HD2 ASN 57 10.854 -13.923 -2.735 412 HD22 ASN 57 1HD2 ASN 57 9.274 -14.465 -2.294 413 H GLU 58 H GLU 58 14.681 -13.640 -0.095 414 HA GLU 58 HA GLU 58 15.103 -13.331 2.619 415 HB2 GLU 58 1HB GLU 58 17.561 -13.340 2.023 416 HB3 GLU 58 2HB GLU 58 16.618 -14.683 1.392 417 HG2 GLU 58 1HG GLU 58 16.406 -13.103 -0.704 418 HG3 GLU 58 2HG GLU 58 17.887 -12.414 -0.040 419 H PHE 59 H PHE 59 15.454 -10.996 0.036 420 HA PHE 59 HA PHE 59 16.993 -9.047 1.235 421 HB2 PHE 59 1HB PHE 59 15.946 -9.120 -1.129 422 HB3 PHE 59 2HB PHE 59 14.559 -8.333 -0.382 423 HD1 PHE 59 HD1 PHE 59 18.274 -7.945 -0.285 424 HD2 PHE 59 HD2 PHE 59 14.474 -6.071 -0.691 425 HE1 PHE 59 HE1 PHE 59 19.381 -5.763 -0.542 426 HE2 PHE 59 HE2 PHE 59 15.575 -3.886 -0.949 427 HZ PHE 59 HZ PHE 59 18.031 -3.730 -0.875 428 H ILE 60 H ILE 60 13.519 -9.627 1.580 429 HA ILE 60 HA ILE 60 13.201 -7.414 3.413 430 HB ILE 60 HB ILE 60 11.147 -9.559 2.989 431 HG12 ILE 60 1HG1 ILE 60 11.765 -7.251 1.134 432 HG13 ILE 60 2HG1 ILE 60 11.905 -8.964 0.754 433 HG21 ILE 60 1HG2 ILE 60 10.862 -7.733 4.689 434 HG22 ILE 60 2HG2 ILE 60 10.823 -6.589 3.349 435 HG23 ILE 60 3HG2 ILE 60 9.583 -7.836 3.479 436 HD11 ILE 60 3HD1 ILE 60 9.833 -8.920 -0.001 437 HD12 ILE 60 1HD1 ILE 60 9.268 -8.551 1.628 438 HD13 ILE 60 2HD1 ILE 60 9.649 -7.242 0.509 439 H SER 61 H SER 61 13.668 -10.865 3.571 440 HA SER 61 HA SER 61 12.768 -11.455 6.116 441 HB2 SER 61 1HB SER 61 13.535 -13.222 4.676 442 HB3 SER 61 2HB SER 61 15.160 -12.539 4.614 443 HG SER 61 HG SER 61 14.160 -14.269 6.371 444 H PHE 62 H PHE 62 15.952 -10.212 5.148 445 HA PHE 62 HA PHE 62 16.763 -9.928 7.919 446 HB2 PHE 62 1HB PHE 62 18.106 -10.197 5.435 447 HB3 PHE 62 2HB PHE 62 18.572 -8.639 6.111 448 HD1 PHE 62 HD1 PHE 62 17.901 -12.008 7.574 449 HD2 PHE 62 HD2 PHE 62 20.614 -8.757 7.139 450 HE1 PHE 62 HE1 PHE 62 19.494 -13.140 9.070 451 HE2 PHE 62 HE2 PHE 62 22.210 -9.884 8.633 452 HZ PHE 62 HZ PHE 62 21.652 -12.079 9.600 453 H CYS 63 H CYS 63 16.198 -7.796 5.129 454 HA CYS 63 HA CYS 63 16.728 -5.353 6.269 455 HB2 CYS 63 1HB CYS 63 16.217 -5.497 3.930 456 HB3 CYS 63 2HB CYS 63 14.604 -6.116 4.262 457 HG CYS 63 HG CYS 63 14.973 -3.267 3.357 458 H ASN 64 H ASN 64 13.828 -7.326 6.584 459 HA ASN 64 HA ASN 64 12.133 -5.486 7.800 460 HB2 ASN 64 1HB ASN 64 11.176 -7.541 7.144 461 HB3 ASN 64 2HB ASN 64 12.372 -8.479 8.034 462 HD21 ASN 64 2HD2 ASN 64 11.970 -9.036 10.088 463 HD22 ASN 64 1HD2 ASN 64 10.569 -8.560 10.979 464 H ALA 65 H ALA 65 14.736 -7.417 9.155 465 HA ALA 65 HA ALA 65 14.146 -6.855 11.883 466 HB1 ALA 65 1HB ALA 65 16.074 -8.384 10.425 467 HB2 ALA 65 2HB ALA 65 16.895 -7.406 11.642 468 HB3 ALA 65 3HB ALA 65 15.605 -8.509 12.121 469 H ASN 66 H ASN 66 15.502 -5.009 9.378 470 HA ASN 66 HA ASN 66 16.733 -3.157 11.309 471 HB2 ASN 66 1HB ASN 66 17.321 -3.722 8.411 472 HB3 ASN 66 2HB ASN 66 17.840 -2.220 9.171 473 HD21 ASN 66 2HD2 ASN 66 17.785 -5.659 10.061 474 HD22 ASN 66 1HD2 ASN 66 19.434 -5.725 10.573 475 HA PRO 67 HA PRO 67 12.884 -1.055 9.866 476 HB2 PRO 67 1HB PRO 67 12.320 0.043 12.284 477 HB3 PRO 67 2HB PRO 67 11.819 -1.590 11.831 478 HG2 PRO 67 1HG PRO 67 14.155 -0.715 13.487 479 HG3 PRO 67 2HG PRO 67 13.029 -2.057 13.761 480 HD2 PRO 67 1HD PRO 67 15.499 -2.419 12.712 481 HD3 PRO 67 2HD PRO 67 14.114 -3.439 12.270 482 H GLY 68 H GLY 68 15.749 -0.016 11.569 483 HA2 GLY 68 1HA GLY 68 15.236 2.800 11.223 484 HA3 GLY 68 2HA GLY 68 16.725 2.072 11.810 485 H LEU 69 H LEU 69 16.560 0.310 9.279 486 HA LEU 69 HA LEU 69 18.090 2.155 7.627 487 HB2 LEU 69 1HB LEU 69 18.986 -0.077 8.154 488 HB3 LEU 69 2HB LEU 69 17.619 -0.807 7.315 489 HG LEU 69 HG LEU 69 19.549 1.023 5.914 490 HD11 LEU 69 1HD1 LEU 69 19.969 -1.714 6.848 491 HD12 LEU 69 2HD1 LEU 69 21.130 -0.515 6.281 492 HD13 LEU 69 3HD1 LEU 69 20.237 -1.495 5.118 493 HD21 LEU 69 3HD2 LEU 69 18.614 -0.897 4.178 494 HD22 LEU 69 1HD2 LEU 69 18.007 0.752 4.324 495 HD23 LEU 69 2HD2 LEU 69 17.213 -0.559 5.196 496 H MET 70 H MET 70 15.341 -0.075 7.268 497 HA MET 70 HA MET 70 14.706 0.409 4.626 498 HB2 MET 70 1HB MET 70 12.355 -0.174 5.279 499 HB3 MET 70 2HB MET 70 13.569 -1.326 5.818 500 HG2 MET 70 1HG MET 70 13.458 -0.530 8.049 501 HG3 MET 70 2HG MET 70 12.481 0.856 7.571 502 HE1 MET 70 3HE MET 70 12.412 -2.684 6.344 503 HE2 MET 70 1HE MET 70 12.199 -3.272 7.994 504 HE3 MET 70 2HE MET 70 10.858 -3.347 6.852 505 H LYS 71 H LYS 71 14.312 2.470 7.373 506 HA LYS 71 HA LYS 71 12.399 4.226 6.123 507 HB2 LYS 71 1HB LYS 71 14.015 4.383 8.662 508 HB3 LYS 71 2HB LYS 71 12.999 5.712 8.116 509 HG2 LYS 71 1HG LYS 71 11.067 4.129 8.117 510 HG3 LYS 71 2HG LYS 71 12.124 2.934 8.871 511 HD2 LYS 71 1HD LYS 71 12.001 5.620 10.123 512 HD3 LYS 71 2HD LYS 71 10.578 4.587 10.286 513 HE2 LYS 71 1HE LYS 71 11.798 2.908 11.395 514 HE3 LYS 71 2HE LYS 71 13.346 3.601 10.914 515 HZ1 LYS 71 3HZ LYS 71 12.119 3.996 13.295 516 HZ2 LYS 71 1HZ LYS 71 11.720 5.404 12.447 517 HZ3 LYS 71 2HZ LYS 71 13.342 4.973 12.653 518 H ASP 72 H ASP 72 15.868 4.036 6.464 519 HA ASP 72 HA ASP 72 16.300 6.716 5.460 520 HB2 ASP 72 1HB ASP 72 17.857 4.747 6.835 521 HB3 ASP 72 2HB ASP 72 18.697 5.197 5.354 522 H VAL 73 H VAL 73 16.542 3.401 4.278 523 HA VAL 73 HA VAL 73 17.688 4.058 1.764 524 HB VAL 73 HB VAL 73 17.868 1.801 2.627 525 HG11 VAL 73 1HG1 VAL 73 15.056 1.098 2.071 526 HG12 VAL 73 2HG1 VAL 73 16.150 0.507 3.323 527 HG13 VAL 73 3HG1 VAL 73 15.345 2.064 3.517 528 HG21 VAL 73 3HG2 VAL 73 17.950 2.063 0.218 529 HG22 VAL 73 1HG2 VAL 73 17.151 0.546 0.631 530 HG23 VAL 73 2HG2 VAL 73 16.194 1.936 0.119 531 H ALA 74 H ALA 74 14.380 3.688 2.918 532 HA ALA 74 HA ALA 74 13.193 3.917 0.321 533 HB1 ALA 74 1HB ALA 74 11.734 4.456 2.880 534 HB2 ALA 74 2HB ALA 74 11.135 3.733 1.386 535 HB3 ALA 74 3HB ALA 74 12.215 2.817 2.437 536 H LYS 75 H LYS 75 14.883 6.107 1.976 537 HA LYS 75 HA LYS 75 13.106 8.380 1.558 538 HB2 LYS 75 1HB LYS 75 14.389 9.518 3.045 539 HB3 LYS 75 2HB LYS 75 14.864 7.897 3.532 540 HG2 LYS 75 1HG LYS 75 16.767 8.144 1.843 541 HG3 LYS 75 2HG LYS 75 16.374 9.865 1.852 542 HD2 LYS 75 1HD LYS 75 16.735 8.486 4.464 543 HD3 LYS 75 2HD LYS 75 18.171 8.844 3.502 544 HE2 LYS 75 1HE LYS 75 18.045 10.789 4.671 545 HE3 LYS 75 2HE LYS 75 16.983 11.216 3.331 546 HZ1 LYS 75 3HZ LYS 75 15.111 10.981 4.626 547 HZ2 LYS 75 1HZ LYS 75 16.208 11.618 5.745 548 HZ3 LYS 75 2HZ LYS 75 15.863 9.962 5.747 549 H VAL 76 H VAL 76 15.925 6.873 0.172 550 HA VAL 76 HA VAL 76 15.910 8.915 -1.953 551 HB VAL 76 HB VAL 76 17.921 9.141 -0.520 552 HG11 VAL 76 1HG1 VAL 76 19.147 6.687 -1.586 553 HG12 VAL 76 2HG1 VAL 76 19.312 7.446 -0.001 554 HG13 VAL 76 3HG1 VAL 76 17.904 6.444 -0.358 555 HG21 VAL 76 3HG2 VAL 76 19.464 8.417 -2.704 556 HG22 VAL 76 1HG2 VAL 76 17.868 8.725 -3.389 557 HG23 VAL 76 2HG2 VAL 76 18.679 9.975 -2.445 558 H PHE 77 H PHE 77 16.327 5.556 -1.052 559 HA PHE 77 HA PHE 77 16.535 4.769 -3.863 560 HB2 PHE 77 1HB PHE 77 17.250 3.527 -1.277 561 HB3 PHE 77 2HB PHE 77 16.633 2.426 -2.504 562 HD1 PHE 77 HD2 PHE 77 18.653 5.471 -3.080 563 HD2 PHE 77 HD1 PHE 77 18.569 1.216 -3.031 564 HE1 PHE 77 HE2 PHE 77 20.872 5.418 -4.141 565 HE2 PHE 77 HE1 PHE 77 20.788 1.156 -4.091 566 HZ PHE 77 HZ PHE 77 21.942 3.259 -4.649 Start of MODEL 4 1 H1 ALA 1 H ALA 1 2.853 -2.594 -4.547 2 HA ALA 1 HA ALA 1 2.311 0.120 -3.532 3 HB1 ALA 1 1HB ALA 1 1.022 -2.475 -2.849 4 HB2 ALA 1 2HB ALA 1 1.209 -1.260 -1.583 5 HB3 ALA 1 3HB ALA 1 0.307 -0.875 -3.049 6 H ASP 2 H ASP 2 3.828 -3.008 -2.936 7 HA ASP 2 HA ASP 2 5.004 -2.493 -0.468 8 HB2 ASP 2 1HB ASP 2 5.693 -4.286 -2.764 9 HB3 ASP 2 2HB ASP 2 6.837 -4.115 -1.435 10 H ASP 3 H ASP 3 6.625 -1.240 0.199 11 HA ASP 3 HA ASP 3 7.827 0.636 -1.565 12 HB2 ASP 3 1HB ASP 3 9.229 1.193 0.487 13 HB3 ASP 3 2HB ASP 3 7.484 1.356 0.667 14 H MET 4 H MET 4 8.803 -2.452 -0.264 15 HA MET 4 HA MET 4 11.569 -2.234 -0.874 16 HB2 MET 4 1HB MET 4 9.852 -4.701 -0.542 17 HB3 MET 4 2HB MET 4 11.610 -4.679 -0.562 18 HG2 MET 4 1HG MET 4 10.020 -3.111 1.438 19 HG3 MET 4 2HG MET 4 10.465 -4.796 1.699 20 HE1 MET 4 3HE MET 4 13.127 -5.487 2.534 21 HE2 MET 4 1HE MET 4 12.951 -5.420 0.780 22 HE3 MET 4 2HE MET 4 14.337 -4.654 1.556 23 H GLU 5 H GLU 5 8.764 -2.910 -2.755 24 HA GLU 5 HA GLU 5 9.936 -4.400 -4.842 25 HB2 GLU 5 1HB GLU 5 7.535 -4.311 -4.604 26 HB3 GLU 5 2HB GLU 5 7.536 -2.567 -4.825 27 HG2 GLU 5 1HG GLU 5 8.231 -2.812 -7.118 28 HG3 GLU 5 2HG GLU 5 8.382 -4.557 -6.917 29 H ARG 6 H ARG 6 9.213 -0.917 -4.619 30 HA ARG 6 HA ARG 6 10.499 -0.263 -7.062 31 HB2 ARG 6 1HB ARG 6 10.376 2.093 -6.171 32 HB3 ARG 6 2HB ARG 6 8.842 1.239 -6.252 33 HG2 ARG 6 1HG ARG 6 8.848 0.858 -3.896 34 HG3 ARG 6 2HG ARG 6 10.495 1.475 -3.750 35 HD2 ARG 6 1HD ARG 6 8.981 3.180 -3.014 36 HD3 ARG 6 2HD ARG 6 9.673 3.679 -4.557 37 HE ARG 6 HE ARG 6 7.166 2.311 -4.826 38 HH11 ARG 6 1HH1 ARG 6 8.686 5.386 -4.229 39 HH12 ARG 6 2HH1 ARG 6 7.333 6.310 -4.793 40 HH21 ARG 6 1HH2 ARG 6 5.379 3.517 -5.570 41 HH22 ARG 6 2HH2 ARG 6 5.452 5.246 -5.554 42 H ILE 7 H ILE 7 11.544 -0.320 -3.699 43 HA ILE 7 HA ILE 7 14.037 0.964 -4.107 44 HB ILE 7 HB ILE 7 13.183 -0.952 -1.934 45 HG12 ILE 7 1HG1 ILE 7 13.495 2.025 -1.669 46 HG13 ILE 7 2HG1 ILE 7 12.002 1.338 -2.300 47 HG21 ILE 7 1HG2 ILE 7 15.732 0.388 -2.493 48 HG22 ILE 7 2HG2 ILE 7 15.139 0.582 -0.844 49 HG23 ILE 7 3HG2 ILE 7 15.386 -1.033 -1.507 50 HD11 ILE 7 3HD1 ILE 7 13.073 1.358 0.435 51 HD12 ILE 7 1HD1 ILE 7 11.405 1.381 -0.138 52 HD13 ILE 7 2HD1 ILE 7 12.297 -0.140 -0.077 53 H PHE 8 H PHE 8 12.998 -2.400 -4.217 54 HA PHE 8 HA PHE 8 15.520 -3.613 -4.318 55 HB2 PHE 8 1HB PHE 8 13.408 -4.847 -3.962 56 HB3 PHE 8 2HB PHE 8 12.958 -4.538 -5.636 57 HD1 PHE 8 HD2 PHE 8 15.156 -6.433 -3.409 58 HD2 PHE 8 HD1 PHE 8 14.006 -5.732 -7.447 59 HE1 PHE 8 HE2 PHE 8 16.328 -8.484 -4.096 60 HE2 PHE 8 HE1 PHE 8 15.176 -7.782 -8.140 61 HZ PHE 8 HZ PHE 8 16.340 -9.160 -6.464 62 H LYS 9 H LYS 9 13.727 -1.863 -6.702 63 HA LYS 9 HA LYS 9 14.939 -2.875 -9.035 64 HB2 LYS 9 1HB LYS 9 13.970 -0.042 -8.671 65 HB3 LYS 9 2HB LYS 9 14.032 -0.979 -10.158 66 HG2 LYS 9 1HG LYS 9 12.194 -1.416 -7.816 67 HG3 LYS 9 2HG LYS 9 11.759 -0.830 -9.423 68 HD2 LYS 9 1HD LYS 9 12.872 -3.562 -8.781 69 HD3 LYS 9 2HD LYS 9 11.183 -3.194 -9.139 70 HE2 LYS 9 1HE LYS 9 13.524 -2.809 -11.003 71 HE3 LYS 9 2HE LYS 9 12.321 -4.094 -11.100 72 HZ1 LYS 9 3HZ LYS 9 11.401 -2.646 -12.550 73 HZ2 LYS 9 1HZ LYS 9 12.099 -1.282 -11.833 74 HZ3 LYS 9 2HZ LYS 9 10.729 -1.993 -11.142 75 H ARG 10 H ARG 10 16.041 -0.678 -6.604 76 HA ARG 10 HA ARG 10 18.168 0.412 -8.240 77 HB2 ARG 10 1HB ARG 10 17.803 0.689 -5.256 78 HB3 ARG 10 2HB ARG 10 18.764 1.713 -6.314 79 HG2 ARG 10 1HG ARG 10 15.776 1.447 -6.525 80 HG3 ARG 10 2HG ARG 10 16.588 2.691 -5.572 81 HD2 ARG 10 1HD ARG 10 17.418 2.359 -8.402 82 HD3 ARG 10 2HD ARG 10 15.841 3.085 -8.094 83 HE ARG 10 HE ARG 10 17.612 4.412 -6.456 84 HH11 ARG 10 1HH1 ARG 10 17.242 3.877 -9.876 85 HH12 ARG 10 2HH1 ARG 10 17.977 5.380 -10.323 86 HH21 ARG 10 1HH2 ARG 10 18.582 6.395 -7.032 87 HH22 ARG 10 2HH2 ARG 10 18.740 6.811 -8.705 88 H PHE 11 H PHE 11 17.989 -1.574 -5.283 89 HA PHE 11 HA PHE 11 20.702 -2.156 -5.070 90 HB2 PHE 11 1HB PHE 11 18.251 -3.684 -4.205 91 HB3 PHE 11 2HB PHE 11 19.880 -4.245 -3.844 92 HD1 PHE 11 HD1 PHE 11 17.599 -1.351 -3.406 93 HD2 PHE 11 HD2 PHE 11 21.014 -3.450 -1.977 94 HE1 PHE 11 HE1 PHE 11 17.645 0.089 -1.412 95 HE2 PHE 11 HE2 PHE 11 21.065 -2.014 0.020 96 HZ PHE 11 HZ PHE 11 19.379 -0.242 0.305 97 H ASP 12 H ASP 12 18.240 -3.546 -7.114 98 HA ASP 12 HA ASP 12 20.007 -5.694 -7.983 99 HB2 ASP 12 1HB ASP 12 17.692 -6.301 -7.652 100 HB3 ASP 12 2HB ASP 12 17.155 -5.003 -8.714 101 H THR 13 H THR 13 21.432 -3.760 -8.715 102 HA THR 13 HA THR 13 20.816 -2.221 -10.953 103 HB THR 13 HB THR 13 23.473 -3.278 -9.984 104 HG1 THR 13 HG1 THR 13 22.297 -1.691 -8.707 105 HG21 THR 13 3HG2 THR 13 22.923 -1.265 -12.167 106 HG22 THR 13 1HG2 THR 13 23.670 -2.849 -12.368 107 HG23 THR 13 2HG2 THR 13 24.506 -1.588 -11.460 108 H ASN 14 H ASN 14 21.520 -5.582 -10.701 109 HA ASN 14 HA ASN 14 22.293 -5.915 -13.459 110 HB2 ASN 14 1HB ASN 14 23.253 -7.479 -11.955 111 HB3 ASN 14 2HB ASN 14 21.694 -7.844 -11.221 112 HD21 ASN 14 2HD2 ASN 14 22.290 -7.540 -14.658 113 HD22 ASN 14 1HD2 ASN 14 21.996 -9.198 -15.048 114 H GLY 15 H GLY 15 19.379 -5.506 -11.829 115 HA2 GLY 15 1HA GLY 15 17.174 -5.855 -12.391 116 HA3 GLY 15 2HA GLY 15 17.739 -5.567 -14.029 117 H ASP 16 H ASP 16 18.437 -8.266 -11.835 118 HA ASP 16 HA ASP 16 17.225 -10.066 -13.830 119 HB2 ASP 16 1HB ASP 16 19.088 -11.311 -13.851 120 HB3 ASP 16 2HB ASP 16 19.872 -10.008 -12.962 121 H GLY 17 H GLY 17 17.106 -8.928 -10.654 122 HA2 GLY 17 1HA GLY 17 15.184 -9.481 -9.306 123 HA3 GLY 17 2HA GLY 17 15.271 -11.119 -9.937 124 H LYS 18 H LYS 18 18.286 -9.756 -9.136 125 HA LYS 18 HA LYS 18 18.257 -10.693 -6.389 126 HB2 LYS 18 1HB LYS 18 20.280 -11.862 -8.292 127 HB3 LYS 18 2HB LYS 18 19.959 -12.332 -6.628 128 HG2 LYS 18 1HG LYS 18 17.740 -13.154 -7.319 129 HG3 LYS 18 2HG LYS 18 18.140 -12.752 -8.991 130 HD2 LYS 18 1HD LYS 18 20.201 -14.355 -7.718 131 HD3 LYS 18 2HD LYS 18 18.630 -15.160 -7.713 132 HE2 LYS 18 1HE LYS 18 18.720 -14.189 -10.247 133 HE3 LYS 18 2HE LYS 18 20.426 -14.516 -9.950 134 HZ1 LYS 18 3HZ LYS 18 18.474 -16.339 -10.652 135 HZ2 LYS 18 1HZ LYS 18 18.838 -16.671 -9.033 136 HZ3 LYS 18 2HZ LYS 18 20.067 -16.674 -10.195 137 H ILE 19 H ILE 19 20.245 -10.158 -5.234 138 HA ILE 19 HA ILE 19 21.651 -7.889 -6.485 139 HB ILE 19 HB ILE 19 21.446 -8.216 -3.514 140 HG12 ILE 19 1HG1 ILE 19 19.141 -8.335 -4.297 141 HG13 ILE 19 2HG1 ILE 19 19.436 -6.773 -3.543 142 HG21 ILE 19 1HG2 ILE 19 22.334 -6.188 -5.420 143 HG22 ILE 19 2HG2 ILE 19 21.307 -5.557 -4.134 144 HG23 ILE 19 3HG2 ILE 19 22.783 -6.434 -3.733 145 HD11 ILE 19 3HD1 ILE 19 19.984 -6.175 -6.107 146 HD12 ILE 19 1HD1 ILE 19 18.774 -7.438 -6.325 147 HD13 ILE 19 2HD1 ILE 19 18.391 -6.005 -5.371 148 H SER 20 H SER 20 23.711 -8.272 -6.917 149 HA SER 20 HA SER 20 25.122 -10.350 -5.395 150 HB2 SER 20 1HB SER 20 24.907 -10.049 -8.097 151 HB3 SER 20 2HB SER 20 26.434 -9.224 -7.785 152 HG SER 20 HG SER 20 27.293 -11.121 -7.613 153 H LEU 21 H LEU 21 27.724 -9.678 -5.866 154 HA LEU 21 HA LEU 21 28.168 -7.655 -3.912 155 HB2 LEU 21 1HB LEU 21 30.303 -8.685 -5.737 156 HB3 LEU 21 2HB LEU 21 30.423 -8.203 -4.046 157 HG LEU 21 HG LEU 21 29.237 -10.748 -5.143 158 HD11 LEU 21 1HD1 LEU 21 31.148 -11.751 -4.570 159 HD12 LEU 21 2HD1 LEU 21 31.280 -10.850 -3.061 160 HD13 LEU 21 3HD1 LEU 21 31.838 -10.128 -4.569 161 HD21 LEU 21 3HD2 LEU 21 27.961 -10.874 -3.332 162 HD22 LEU 21 1HD2 LEU 21 28.588 -9.335 -2.741 163 HD23 LEU 21 2HD2 LEU 21 29.417 -10.839 -2.336 164 H SER 22 H SER 22 28.042 -7.701 -7.376 165 HA SER 22 HA SER 22 29.407 -5.185 -7.714 166 HB2 SER 22 1HB SER 22 28.943 -7.278 -9.388 167 HB3 SER 22 2HB SER 22 27.684 -6.157 -9.907 168 HG SER 22 HG SER 22 30.259 -6.096 -10.500 169 H GLU 23 H GLU 23 26.107 -6.305 -7.421 170 HA GLU 23 HA GLU 23 24.999 -3.721 -8.133 171 HB2 GLU 23 1HB GLU 23 23.535 -6.090 -6.969 172 HB3 GLU 23 2HB GLU 23 22.849 -4.739 -7.860 173 HG2 GLU 23 1HG GLU 23 23.765 -5.485 -9.898 174 HG3 GLU 23 2HG GLU 23 24.817 -6.643 -9.086 175 H LEU 24 H LEU 24 24.952 -5.810 -5.242 176 HA LEU 24 HA LEU 24 23.711 -4.120 -3.471 177 HB2 LEU 24 1HB LEU 24 24.630 -6.522 -3.175 178 HB3 LEU 24 2HB LEU 24 26.097 -5.718 -2.622 179 HG LEU 24 HG LEU 24 23.493 -5.022 -1.341 180 HD11 LEU 24 1HD1 LEU 24 24.976 -7.187 -0.043 181 HD12 LEU 24 2HD1 LEU 24 24.174 -7.649 -1.544 182 HD13 LEU 24 3HD1 LEU 24 23.238 -6.946 -0.226 183 HD21 LEU 24 3HD2 LEU 24 25.937 -4.047 -0.974 184 HD22 LEU 24 1HD2 LEU 24 26.048 -5.435 0.108 185 HD23 LEU 24 2HD2 LEU 24 24.787 -4.226 0.352 186 H THR 25 H THR 25 27.200 -4.290 -4.150 187 HA THR 25 HA THR 25 28.108 -2.361 -2.402 188 HB THR 25 HB THR 25 29.594 -3.762 -3.793 189 HG1 THR 25 HG1 THR 25 30.464 -1.882 -2.848 190 HG21 THR 25 3HG2 THR 25 28.144 -3.196 -5.905 191 HG22 THR 25 1HG2 THR 25 29.871 -3.505 -6.069 192 HG23 THR 25 2HG2 THR 25 29.269 -1.848 -6.063 193 H ASP 26 H ASP 26 26.673 -1.932 -5.600 194 HA ASP 26 HA ASP 26 27.168 0.776 -5.976 195 HB2 ASP 26 1HB ASP 26 24.663 -0.713 -6.788 196 HB3 ASP 26 2HB ASP 26 25.285 0.768 -7.511 197 H ALA 27 H ALA 27 24.962 -0.806 -3.828 198 HA ALA 27 HA ALA 27 23.405 1.586 -3.323 199 HB1 ALA 27 1HB ALA 27 22.976 -1.162 -2.994 200 HB2 ALA 27 2HB ALA 27 23.000 -0.479 -1.368 201 HB3 ALA 27 3HB ALA 27 21.881 0.155 -2.575 202 H LEU 28 H LEU 28 25.400 -0.566 -1.285 203 HA LEU 28 HA LEU 28 25.524 1.127 0.931 204 HB2 LEU 28 1HB LEU 28 27.716 -0.755 0.100 205 HB3 LEU 28 2HB LEU 28 27.283 -0.246 1.731 206 HG LEU 28 HG LEU 28 25.800 -2.154 -0.064 207 HD11 LEU 28 1HD1 LEU 28 26.114 -3.257 2.434 208 HD12 LEU 28 2HD1 LEU 28 27.627 -2.387 2.187 209 HD13 LEU 28 3HD1 LEU 28 27.106 -3.599 1.017 210 HD21 LEU 28 3HD2 LEU 28 24.026 -1.001 0.876 211 HD22 LEU 28 1HD2 LEU 28 24.896 -0.679 2.376 212 HD23 LEU 28 2HD2 LEU 28 24.291 -2.301 2.039 213 H ARG 29 H ARG 29 27.110 1.320 -2.101 214 HA ARG 29 HA ARG 29 29.232 3.050 -1.123 215 HB2 ARG 29 1HB ARG 29 30.156 2.938 -3.286 216 HB3 ARG 29 2HB ARG 29 29.504 1.332 -2.991 217 HG2 ARG 29 1HG ARG 29 28.696 1.644 -5.078 218 HG3 ARG 29 2HG ARG 29 27.383 2.409 -4.181 219 HD2 ARG 29 1HD ARG 29 27.803 4.379 -5.123 220 HD3 ARG 29 2HD ARG 29 29.504 4.291 -4.665 221 HE ARG 29 HE ARG 29 28.382 3.740 -7.239 222 HH11 ARG 29 1HH1 ARG 29 31.004 2.991 -5.076 223 HH12 ARG 29 2HH1 ARG 29 32.093 2.534 -6.344 224 HH21 ARG 29 1HH2 ARG 29 29.805 3.141 -8.918 225 HH22 ARG 29 2HH2 ARG 29 31.410 2.621 -8.529 226 H THR 30 H THR 30 26.077 3.298 -2.463 227 HA THR 30 HA THR 30 26.427 6.057 -3.313 228 HB THR 30 HB THR 30 24.006 4.248 -3.331 229 HG1 THR 30 HG1 THR 30 24.425 4.718 -5.704 230 HG21 THR 30 3HG2 THR 30 23.306 6.567 -3.009 231 HG22 THR 30 1HG2 THR 30 22.898 6.011 -4.631 232 HG23 THR 30 2HG2 THR 30 24.290 7.066 -4.384 233 H LEU 31 H LEU 31 25.106 4.245 -0.640 234 HA LEU 31 HA LEU 31 24.132 6.741 0.576 235 HB2 LEU 31 1HB LEU 31 23.506 4.081 1.743 236 HB3 LEU 31 2HB LEU 31 22.544 5.557 1.722 237 HG LEU 31 HG LEU 31 22.866 3.518 -0.467 238 HD11 LEU 31 1HD1 LEU 31 20.599 3.105 -0.191 239 HD12 LEU 31 2HD1 LEU 31 20.320 4.631 0.648 240 HD13 LEU 31 3HD1 LEU 31 21.170 3.319 1.464 241 HD21 LEU 31 3HD2 LEU 31 21.066 5.711 -1.056 242 HD22 LEU 31 1HD2 LEU 31 22.334 4.992 -2.048 243 HD23 LEU 31 2HD2 LEU 31 22.736 6.254 -0.883 244 H GLY 32 H GLY 32 26.501 4.269 0.792 245 HA2 GLY 32 1HA GLY 32 27.361 5.351 3.404 246 HA3 GLY 32 2HA GLY 32 27.508 3.648 2.996 247 H SER 33 H SER 33 28.255 4.440 0.183 248 HA SER 33 HA SER 33 30.124 4.894 -1.042 249 HB2 SER 33 1HB SER 33 30.069 7.011 0.504 250 HB3 SER 33 2HB SER 33 31.443 6.236 1.293 251 HG SER 33 HG SER 33 31.997 7.687 -0.455 252 H THR 34 H THR 34 29.827 2.519 0.601 253 HA THR 34 HA THR 34 32.520 1.907 1.519 254 HB THR 34 HB THR 34 30.318 1.152 2.668 255 HG1 THR 34 HG1 THR 34 32.532 0.412 3.116 256 HG21 THR 34 3HG2 THR 34 29.580 0.124 0.382 257 HG22 THR 34 1HG2 THR 34 29.217 -0.725 1.884 258 HG23 THR 34 2HG2 THR 34 30.579 -1.238 0.889 259 H SER 35 H SER 35 32.879 -0.691 0.940 260 HA SER 35 HA SER 35 32.848 -0.814 -2.004 261 HB2 SER 35 1HB SER 35 35.073 -1.859 -0.243 262 HB3 SER 35 2HB SER 35 35.061 -1.760 -2.004 263 HG SER 35 HG SER 35 35.558 0.290 -1.895 264 H ALA 36 H ALA 36 33.790 -3.277 -2.471 265 HA ALA 36 HA ALA 36 31.589 -4.945 -1.813 266 HB1 ALA 36 1HB ALA 36 33.979 -6.311 -2.800 267 HB2 ALA 36 2HB ALA 36 32.345 -6.254 -3.464 268 HB3 ALA 36 3HB ALA 36 33.475 -4.938 -3.786 269 H ASP 37 H ASP 37 34.694 -4.404 -0.383 270 HA ASP 37 HA ASP 37 35.162 -6.778 0.961 271 HB2 ASP 37 1HB ASP 37 36.305 -4.266 0.938 272 HB3 ASP 37 2HB ASP 37 35.721 -4.415 2.593 273 H GLU 38 H GLU 38 32.747 -4.367 1.534 274 HA GLU 38 HA GLU 38 32.009 -5.659 4.071 275 HB2 GLU 38 1HB GLU 38 30.854 -3.067 3.085 276 HB3 GLU 38 2HB GLU 38 30.956 -3.671 4.733 277 HG2 GLU 38 1HG GLU 38 33.290 -2.771 3.059 278 HG3 GLU 38 2HG GLU 38 32.502 -1.820 4.316 279 H VAL 39 H VAL 39 31.141 -5.389 0.812 280 HA VAL 39 HA VAL 39 28.314 -5.690 1.068 281 HB VAL 39 HB VAL 39 30.193 -6.176 -1.241 282 HG11 VAL 39 1HG1 VAL 39 27.219 -6.549 -1.057 283 HG12 VAL 39 2HG1 VAL 39 28.023 -6.200 -2.589 284 HG13 VAL 39 3HG1 VAL 39 28.434 -7.660 -1.688 285 HG21 VAL 39 3HG2 VAL 39 29.811 -4.047 -1.839 286 HG22 VAL 39 1HG2 VAL 39 28.098 -4.140 -1.432 287 HG23 VAL 39 2HG2 VAL 39 29.289 -3.834 -0.168 288 H GLN 40 H GLN 40 30.798 -7.986 -0.078 289 HA GLN 40 HA GLN 40 29.228 -10.254 -0.145 290 HB2 GLN 40 1HB GLN 40 31.437 -11.481 0.321 291 HB3 GLN 40 2HB GLN 40 31.354 -10.453 -1.103 292 HG2 GLN 40 1HG GLN 40 32.753 -8.867 -0.215 293 HG3 GLN 40 2HG GLN 40 32.375 -9.312 1.449 294 HE21 GLN 40 2HE2 GLN 40 32.860 -11.927 1.578 295 HE22 GLN 40 1HE2 GLN 40 34.513 -12.277 1.218 296 H ARG 41 H ARG 41 30.524 -8.582 2.593 297 HA ARG 41 HA ARG 41 30.105 -10.790 4.417 298 HB2 ARG 41 1HB ARG 41 30.587 -7.960 5.285 299 HB3 ARG 41 2HB ARG 41 31.086 -9.457 6.061 300 HG2 ARG 41 1HG ARG 41 32.236 -8.272 3.544 301 HG3 ARG 41 2HG ARG 41 33.002 -8.332 5.133 302 HD2 ARG 41 1HD ARG 41 32.213 -10.967 4.454 303 HD3 ARG 41 2HD ARG 41 33.036 -10.280 3.054 304 HE ARG 41 HE ARG 41 34.205 -10.966 5.594 305 HH11 ARG 41 1HH1 ARG 41 34.513 -9.039 2.711 306 HH12 ARG 41 2HH1 ARG 41 36.231 -8.866 2.853 307 HH21 ARG 41 1HH2 ARG 41 36.467 -10.745 5.792 308 HH22 ARG 41 2HH2 ARG 41 37.342 -9.838 4.605 309 H MET 42 H MET 42 28.443 -7.897 3.383 310 HA MET 42 HA MET 42 26.505 -7.937 5.498 311 HB2 MET 42 1HB MET 42 26.987 -5.828 4.465 312 HB3 MET 42 2HB MET 42 26.624 -6.464 2.866 313 HG2 MET 42 1HG MET 42 24.428 -6.131 3.095 314 HG3 MET 42 2HG MET 42 24.417 -6.690 4.766 315 HE1 MET 42 3HE MET 42 26.616 -4.474 6.137 316 HE2 MET 42 1HE MET 42 25.244 -3.619 6.844 317 HE3 MET 42 2HE MET 42 25.218 -5.379 6.721 318 H MET 43 H MET 43 26.590 -8.988 2.120 319 HA MET 43 HA MET 43 23.865 -9.894 2.140 320 HB2 MET 43 1HB MET 43 24.473 -10.900 -0.071 321 HB3 MET 43 2HB MET 43 24.772 -9.171 0.045 322 HG2 MET 43 1HG MET 43 26.856 -9.507 -0.594 323 HG3 MET 43 2HG MET 43 27.135 -10.460 0.862 324 HE1 MET 43 3HE MET 43 24.605 -11.525 -2.046 325 HE2 MET 43 1HE MET 43 25.835 -10.495 -2.778 326 HE3 MET 43 2HE MET 43 25.771 -12.212 -3.178 327 H ALA 44 H ALA 44 26.971 -11.254 2.872 328 HA ALA 44 HA ALA 44 26.535 -13.965 2.535 329 HB1 ALA 44 1HB ALA 44 28.310 -12.311 4.187 330 HB2 ALA 44 2HB ALA 44 28.029 -13.942 4.798 331 HB3 ALA 44 3HB ALA 44 28.673 -13.708 3.173 332 H GLU 45 H GLU 45 25.325 -11.814 5.006 333 HA GLU 45 HA GLU 45 24.251 -14.043 6.555 334 HB2 GLU 45 1HB GLU 45 23.473 -12.198 8.096 335 HB3 GLU 45 2HB GLU 45 25.215 -12.350 7.912 336 HG2 GLU 45 1HG GLU 45 25.177 -10.501 6.286 337 HG3 GLU 45 2HG GLU 45 23.446 -10.323 6.563 338 H ILE 46 H ILE 46 23.178 -11.315 4.598 339 HA ILE 46 HA ILE 46 20.414 -11.577 5.088 340 HB ILE 46 HB ILE 46 21.841 -10.451 2.677 341 HG12 ILE 46 1HG1 ILE 46 20.596 -9.067 5.063 342 HG13 ILE 46 2HG1 ILE 46 22.322 -9.329 4.839 343 HG21 ILE 46 1HG2 ILE 46 19.709 -9.290 2.220 344 HG22 ILE 46 2HG2 ILE 46 19.581 -11.042 2.073 345 HG23 ILE 46 3HG2 ILE 46 18.951 -10.229 3.506 346 HD11 ILE 46 3HD1 ILE 46 20.543 -7.679 3.061 347 HD12 ILE 46 1HD1 ILE 46 21.685 -7.062 4.254 348 HD13 ILE 46 2HD1 ILE 46 22.273 -7.937 2.839 349 H ASP 47 H ASP 47 22.584 -13.148 2.825 350 HA ASP 47 HA ASP 47 20.688 -14.266 1.093 351 HB2 ASP 47 1HB ASP 47 23.420 -14.289 1.252 352 HB3 ASP 47 2HB ASP 47 23.029 -15.956 1.662 353 H THR 48 H THR 48 18.961 -15.324 1.865 354 HA THR 48 HA THR 48 19.112 -17.049 4.162 355 HB THR 48 HB THR 48 16.830 -16.668 2.213 356 HG1 THR 48 HG1 THR 48 17.146 -15.496 4.786 357 HG21 THR 48 3HG2 THR 48 15.811 -17.319 4.699 358 HG22 THR 48 1HG2 THR 48 17.211 -18.378 4.538 359 HG23 THR 48 2HG2 THR 48 15.941 -18.403 3.314 360 H ASP 49 H ASP 49 19.557 -17.412 0.795 361 HA ASP 49 HA ASP 49 19.276 -20.336 1.019 362 HB2 ASP 49 1HB ASP 49 18.064 -20.161 -0.856 363 HB3 ASP 49 2HB ASP 49 18.475 -18.456 -1.026 364 H GLY 50 H GLY 50 21.489 -17.787 0.710 365 HA2 GLY 50 1HA GLY 50 23.743 -17.694 0.263 366 HA3 GLY 50 2HA GLY 50 23.770 -19.312 0.948 367 H ASP 51 H ASP 51 23.345 -17.492 -2.046 368 HA ASP 51 HA ASP 51 24.508 -19.759 -3.497 369 HB2 ASP 51 1HB ASP 51 22.893 -19.664 -5.249 370 HB3 ASP 51 2HB ASP 51 21.990 -19.736 -3.738 371 H GLY 52 H GLY 52 25.106 -16.835 -2.560 372 HA2 GLY 52 1HA GLY 52 26.783 -15.419 -3.373 373 HA3 GLY 52 2HA GLY 52 26.627 -16.176 -4.951 374 H PHE 53 H PHE 53 23.588 -15.432 -3.833 375 HA PHE 53 HA PHE 53 23.598 -12.682 -4.800 376 HB2 PHE 53 1HB PHE 53 22.020 -14.915 -6.083 377 HB3 PHE 53 2HB PHE 53 21.635 -13.212 -6.308 378 HD1 PHE 53 HD2 PHE 53 24.078 -15.860 -6.999 379 HD2 PHE 53 HD1 PHE 53 22.982 -11.807 -7.698 380 HE1 PHE 53 HE2 PHE 53 25.706 -15.741 -8.839 381 HE2 PHE 53 HE1 PHE 53 24.608 -11.682 -9.541 382 HZ PHE 53 HZ PHE 53 25.973 -13.651 -10.113 383 H ILE 54 H ILE 54 21.792 -11.466 -4.153 384 HA ILE 54 HA ILE 54 20.274 -12.695 -1.956 385 HB ILE 54 HB ILE 54 20.921 -9.805 -2.531 386 HG12 ILE 54 1HG1 ILE 54 22.733 -11.120 -1.515 387 HG13 ILE 54 2HG1 ILE 54 22.107 -9.922 -0.387 388 HG21 ILE 54 1HG2 ILE 54 19.768 -9.945 -0.015 389 HG22 ILE 54 2HG2 ILE 54 19.036 -9.278 -1.473 390 HG23 ILE 54 3HG2 ILE 54 18.736 -10.957 -1.024 391 HD11 ILE 54 3HD1 ILE 54 22.025 -11.600 1.067 392 HD12 ILE 54 1HD1 ILE 54 20.590 -12.125 0.186 393 HD13 ILE 54 2HD1 ILE 54 22.165 -12.822 -0.197 394 H ASP 55 H ASP 55 18.398 -13.463 -2.718 395 HA ASP 55 HA ASP 55 16.993 -12.418 -4.931 396 HB2 ASP 55 1HB ASP 55 15.782 -14.056 -2.703 397 HB3 ASP 55 2HB ASP 55 15.267 -13.974 -4.386 398 H PHE 56 H PHE 56 14.399 -12.114 -4.310 399 HA PHE 56 HA PHE 56 14.380 -9.507 -3.061 400 HB2 PHE 56 1HB PHE 56 13.109 -10.128 -5.180 401 HB3 PHE 56 2HB PHE 56 11.996 -11.009 -4.138 402 HD1 PHE 56 HD1 PHE 56 11.050 -9.606 -2.116 403 HD2 PHE 56 HD2 PHE 56 12.623 -7.949 -5.708 404 HE1 PHE 56 HE1 PHE 56 9.790 -7.532 -1.708 405 HE2 PHE 56 HE2 PHE 56 11.366 -5.873 -5.305 406 HZ PHE 56 HZ PHE 56 9.948 -5.662 -3.302 407 H ASN 57 H ASN 57 13.179 -12.738 -2.384 408 HA ASN 57 HA ASN 57 11.502 -12.094 -0.220 409 HB2 ASN 57 1HB ASN 57 12.647 -14.514 -1.394 410 HB3 ASN 57 2HB ASN 57 12.456 -14.625 0.353 411 HD21 ASN 57 2HD2 ASN 57 10.629 -13.357 -2.416 412 HD22 ASN 57 1HD2 ASN 57 9.114 -14.042 -1.945 413 H GLU 58 H GLU 58 14.719 -13.632 -0.051 414 HA GLU 58 HA GLU 58 15.130 -13.332 2.662 415 HB2 GLU 58 1HB GLU 58 17.592 -13.384 2.083 416 HB3 GLU 58 2HB GLU 58 16.629 -14.708 1.442 417 HG2 GLU 58 1HG GLU 58 16.462 -13.105 -0.648 418 HG3 GLU 58 2HG GLU 58 17.960 -12.467 0.027 419 H PHE 59 H PHE 59 15.539 -10.994 0.091 420 HA PHE 59 HA PHE 59 17.106 -9.078 1.310 421 HB2 PHE 59 1HB PHE 59 16.098 -9.116 -1.064 422 HB3 PHE 59 2HB PHE 59 14.699 -8.332 -0.336 423 HD1 PHE 59 HD1 PHE 59 18.410 -7.946 -0.133 424 HD2 PHE 59 HD2 PHE 59 14.625 -6.073 -0.666 425 HE1 PHE 59 HE1 PHE 59 19.525 -5.764 -0.354 426 HE2 PHE 59 HE2 PHE 59 15.734 -3.888 -0.888 427 HZ PHE 59 HZ PHE 59 18.187 -3.731 -0.733 428 H ILE 60 H ILE 60 13.622 -9.602 1.627 429 HA ILE 60 HA ILE 60 13.305 -7.379 3.441 430 HB ILE 60 HB ILE 60 11.258 -9.537 3.051 431 HG12 ILE 60 1HG1 ILE 60 11.868 -7.254 1.162 432 HG13 ILE 60 2HG1 ILE 60 12.007 -8.972 0.807 433 HG21 ILE 60 1HG2 ILE 60 11.005 -7.652 4.721 434 HG22 ILE 60 2HG2 ILE 60 10.888 -6.568 3.337 435 HG23 ILE 60 3HG2 ILE 60 9.692 -7.844 3.560 436 HD11 ILE 60 3HD1 ILE 60 9.928 -8.956 0.071 437 HD12 ILE 60 1HD1 ILE 60 9.370 -8.525 1.687 438 HD13 ILE 60 2HD1 ILE 60 9.758 -7.260 0.521 439 H SER 61 H SER 61 13.746 -10.837 3.648 440 HA SER 61 HA SER 61 12.868 -11.368 6.215 441 HB2 SER 61 1HB SER 61 13.569 -13.192 4.844 442 HB3 SER 61 2HB SER 61 15.188 -12.518 4.658 443 HG SER 61 HG SER 61 15.596 -12.970 6.809 444 H PHE 62 H PHE 62 16.043 -10.165 5.178 445 HA PHE 62 HA PHE 62 16.910 -9.864 7.931 446 HB2 PHE 62 1HB PHE 62 18.208 -10.189 5.439 447 HB3 PHE 62 2HB PHE 62 18.682 -8.608 6.052 448 HD1 PHE 62 HD1 PHE 62 18.158 -12.028 7.461 449 HD2 PHE 62 HD2 PHE 62 20.646 -8.583 7.219 450 HE1 PHE 62 HE1 PHE 62 19.787 -13.104 8.959 451 HE2 PHE 62 HE2 PHE 62 22.279 -9.653 8.715 452 HZ PHE 62 HZ PHE 62 21.852 -11.917 9.587 453 H CYS 63 H CYS 63 16.315 -7.752 5.132 454 HA CYS 63 HA CYS 63 16.880 -5.304 6.248 455 HB2 CYS 63 1HB CYS 63 16.350 -5.441 3.920 456 HB3 CYS 63 2HB CYS 63 14.745 -6.077 4.259 457 HG CYS 63 HG CYS 63 15.669 -2.975 3.841 458 H ASN 64 H ASN 64 13.970 -7.253 6.608 459 HA ASN 64 HA ASN 64 12.294 -5.398 7.820 460 HB2 ASN 64 1HB ASN 64 11.524 -7.609 7.110 461 HB3 ASN 64 2HB ASN 64 12.506 -8.369 8.359 462 HD21 ASN 64 2HD2 ASN 64 10.459 -5.489 8.487 463 HD22 ASN 64 1HD2 ASN 64 9.407 -6.078 9.724 464 H ALA 65 H ALA 65 14.923 -7.293 9.169 465 HA ALA 65 HA ALA 65 14.372 -6.750 11.898 466 HB1 ALA 65 1HB ALA 65 16.334 -8.185 10.404 467 HB2 ALA 65 2HB ALA 65 17.147 -7.156 11.583 468 HB3 ALA 65 3HB ALA 65 15.929 -8.314 12.116 469 H ASN 66 H ASN 66 15.683 -4.857 9.375 470 HA ASN 66 HA ASN 66 16.777 -2.929 11.315 471 HB2 ASN 66 1HB ASN 66 17.448 -3.456 8.423 472 HB3 ASN 66 2HB ASN 66 17.926 -1.968 9.234 473 HD21 ASN 66 2HD2 ASN 66 17.893 -5.420 10.070 474 HD22 ASN 66 1HD2 ASN 66 19.535 -5.478 10.604 475 HA PRO 67 HA PRO 67 12.877 -1.016 9.752 476 HB2 PRO 67 1HB PRO 67 12.211 0.093 12.139 477 HB3 PRO 67 2HB PRO 67 11.793 -1.567 11.701 478 HG2 PRO 67 1HG PRO 67 14.049 -0.567 13.394 479 HG3 PRO 67 2HG PRO 67 12.977 -1.953 13.665 480 HD2 PRO 67 1HD PRO 67 15.483 -2.222 12.676 481 HD3 PRO 67 2HD PRO 67 14.155 -3.307 12.219 482 H GLY 68 H GLY 68 15.664 0.168 11.486 483 HA2 GLY 68 1HA GLY 68 15.034 2.955 11.084 484 HA3 GLY 68 2HA GLY 68 16.535 2.305 11.725 485 H LEU 69 H LEU 69 16.547 0.489 9.239 486 HA LEU 69 HA LEU 69 18.020 2.379 7.585 487 HB2 LEU 69 1HB LEU 69 19.023 0.215 8.201 488 HB3 LEU 69 2HB LEU 69 17.731 -0.612 7.333 489 HG LEU 69 HG LEU 69 19.607 1.294 5.960 490 HD11 LEU 69 1HD1 LEU 69 20.124 -1.415 6.945 491 HD12 LEU 69 2HD1 LEU 69 21.248 -0.154 6.439 492 HD13 LEU 69 3HD1 LEU 69 20.472 -1.179 5.232 493 HD21 LEU 69 3HD2 LEU 69 18.833 -0.711 4.237 494 HD22 LEU 69 1HD2 LEU 69 18.146 0.911 4.319 495 HD23 LEU 69 2HD2 LEU 69 17.381 -0.415 5.195 496 H MET 70 H MET 70 15.425 -0.026 7.197 497 HA MET 70 HA MET 70 14.846 0.363 4.526 498 HB2 MET 70 1HB MET 70 12.527 -0.372 5.106 499 HB3 MET 70 2HB MET 70 13.791 -1.416 5.742 500 HG2 MET 70 1HG MET 70 13.519 -0.554 7.934 501 HG3 MET 70 2HG MET 70 12.476 0.745 7.360 502 HE1 MET 70 3HE MET 70 12.671 -2.827 6.227 503 HE2 MET 70 1HE MET 70 12.471 -3.369 7.893 504 HE3 MET 70 2HE MET 70 11.159 -3.582 6.734 505 H LYS 71 H LYS 71 14.241 2.453 7.211 506 HA LYS 71 HA LYS 71 12.261 4.056 5.862 507 HB2 LYS 71 1HB LYS 71 13.760 4.331 8.458 508 HB3 LYS 71 2HB LYS 71 12.732 5.621 7.848 509 HG2 LYS 71 1HG LYS 71 10.857 3.953 7.771 510 HG3 LYS 71 2HG LYS 71 11.917 2.837 8.635 511 HD2 LYS 71 1HD LYS 71 11.617 5.558 9.769 512 HD3 LYS 71 2HD LYS 71 10.220 4.485 9.881 513 HE2 LYS 71 1HE LYS 71 11.659 2.776 10.931 514 HE3 LYS 71 2HE LYS 71 13.009 3.909 10.876 515 HZ1 LYS 71 3HZ LYS 71 10.475 4.274 12.380 516 HZ2 LYS 71 1HZ LYS 71 11.717 5.419 12.283 517 HZ3 LYS 71 2HZ LYS 71 11.993 3.934 13.043 518 H ASP 72 H ASP 72 15.721 4.085 6.309 519 HA ASP 72 HA ASP 72 16.016 6.771 5.266 520 HB2 ASP 72 1HB ASP 72 17.647 4.934 6.737 521 HB3 ASP 72 2HB ASP 72 18.509 5.414 5.278 522 H VAL 73 H VAL 73 16.463 3.455 4.164 523 HA VAL 73 HA VAL 73 17.666 4.136 1.674 524 HB VAL 73 HB VAL 73 17.978 1.918 2.598 525 HG11 VAL 73 1HG1 VAL 73 15.252 0.989 1.972 526 HG12 VAL 73 2HG1 VAL 73 16.337 0.529 3.285 527 HG13 VAL 73 3HG1 VAL 73 15.406 2.023 3.392 528 HG21 VAL 73 3HG2 VAL 73 18.126 2.124 0.190 529 HG22 VAL 73 1HG2 VAL 73 17.408 0.569 0.612 530 HG23 VAL 73 2HG2 VAL 73 16.386 1.886 0.035 531 H ALA 74 H ALA 74 14.358 3.563 2.741 532 HA ALA 74 HA ALA 74 13.239 3.643 0.104 533 HB1 ALA 74 1HB ALA 74 11.678 4.132 2.615 534 HB2 ALA 74 2HB ALA 74 11.162 3.357 1.117 535 HB3 ALA 74 3HB ALA 74 12.271 2.522 2.206 536 H LYS 75 H LYS 75 14.726 5.986 1.740 537 HA LYS 75 HA LYS 75 12.806 8.118 1.207 538 HB2 LYS 75 1HB LYS 75 13.956 9.386 2.702 539 HB3 LYS 75 2HB LYS 75 14.507 7.812 3.259 540 HG2 LYS 75 1HG LYS 75 16.461 8.130 1.638 541 HG3 LYS 75 2HG LYS 75 15.964 9.822 1.582 542 HD2 LYS 75 1HD LYS 75 16.363 10.116 3.893 543 HD3 LYS 75 2HD LYS 75 16.489 8.377 4.169 544 HE2 LYS 75 1HE LYS 75 18.705 8.905 4.143 545 HE3 LYS 75 2HE LYS 75 18.464 8.619 2.420 546 HZ1 LYS 75 3HZ LYS 75 17.966 11.117 2.337 547 HZ2 LYS 75 1HZ LYS 75 19.579 10.629 2.488 548 HZ3 LYS 75 2HZ LYS 75 18.734 11.188 3.842 549 H VAL 76 H VAL 76 15.778 6.783 -0.033 550 HA VAL 76 HA VAL 76 15.698 8.763 -2.213 551 HB VAL 76 HB VAL 76 17.628 9.195 -0.736 552 HG11 VAL 76 1HG1 VAL 76 19.104 6.812 -1.594 553 HG12 VAL 76 2HG1 VAL 76 19.062 7.621 -0.026 554 HG13 VAL 76 3HG1 VAL 76 17.783 6.490 -0.471 555 HG21 VAL 76 3HG2 VAL 76 19.261 8.368 -2.875 556 HG22 VAL 76 1HG2 VAL 76 17.679 8.738 -3.561 557 HG23 VAL 76 2HG2 VAL 76 18.537 9.955 -2.616 558 H PHE 77 H PHE 77 16.324 5.469 -1.202 559 HA PHE 77 HA PHE 77 16.679 4.631 -3.986 560 HB2 PHE 77 1HB PHE 77 17.386 3.479 -1.342 561 HB3 PHE 77 2HB PHE 77 16.977 2.338 -2.619 562 HD1 PHE 77 HD2 PHE 77 18.662 5.592 -3.085 563 HD2 PHE 77 HD1 PHE 77 19.087 1.358 -2.967 564 HE1 PHE 77 HE2 PHE 77 20.939 5.799 -3.993 565 HE2 PHE 77 HE1 PHE 77 21.365 1.558 -3.875 566 HZ PHE 77 HZ PHE 77 22.294 3.780 -4.390 Start of MODEL 5 1 H1 ALA 1 H ALA 1 2.596 -2.024 3.738 2 HA ALA 1 HA ALA 1 2.279 -1.104 1.155 3 HB1 ALA 1 1HB ALA 1 3.172 0.178 3.118 4 HB2 ALA 1 2HB ALA 1 4.730 -0.597 2.830 5 HB3 ALA 1 3HB ALA 1 4.025 0.450 1.598 6 H ASP 2 H ASP 2 3.996 -0.813 -0.517 7 HA ASP 2 HA ASP 2 5.685 -3.215 -0.757 8 HB2 ASP 2 1HB ASP 2 4.243 -1.874 -3.050 9 HB3 ASP 2 2HB ASP 2 5.168 -3.372 -3.105 10 H ASP 3 H ASP 3 6.849 -1.103 0.326 11 HA ASP 3 HA ASP 3 7.953 0.721 -1.588 12 HB2 ASP 3 1HB ASP 3 9.103 0.170 1.141 13 HB3 ASP 3 2HB ASP 3 9.144 1.668 0.216 14 H MET 4 H MET 4 8.940 -2.317 -0.150 15 HA MET 4 HA MET 4 11.654 -2.260 -0.896 16 HB2 MET 4 1HB MET 4 9.861 -4.674 -0.581 17 HB3 MET 4 2HB MET 4 11.619 -4.676 -0.546 18 HG2 MET 4 1HG MET 4 9.969 -3.114 1.414 19 HG3 MET 4 2HG MET 4 10.428 -4.794 1.679 20 HE1 MET 4 3HE MET 4 13.094 -5.459 2.558 21 HE2 MET 4 1HE MET 4 12.946 -5.372 0.802 22 HE3 MET 4 2HE MET 4 14.305 -4.592 1.612 23 H GLU 5 H GLU 5 8.771 -2.808 -2.707 24 HA GLU 5 HA GLU 5 9.828 -4.333 -4.830 25 HB2 GLU 5 1HB GLU 5 7.441 -4.156 -4.533 26 HB3 GLU 5 2HB GLU 5 7.501 -2.410 -4.735 27 HG2 GLU 5 1HG GLU 5 8.164 -2.677 -7.053 28 HG3 GLU 5 2HG GLU 5 8.180 -4.429 -6.862 29 H ARG 6 H ARG 6 9.202 -0.827 -4.619 30 HA ARG 6 HA ARG 6 10.500 -0.236 -7.075 31 HB2 ARG 6 1HB ARG 6 10.409 2.136 -6.228 32 HB3 ARG 6 2HB ARG 6 8.862 1.304 -6.294 33 HG2 ARG 6 1HG ARG 6 8.822 1.002 -3.944 34 HG3 ARG 6 2HG ARG 6 10.505 1.511 -3.787 35 HD2 ARG 6 1HD ARG 6 8.832 3.239 -3.114 36 HD3 ARG 6 2HD ARG 6 9.955 3.758 -4.369 37 HE ARG 6 HE ARG 6 8.179 4.022 -5.776 38 HH11 ARG 6 1HH1 ARG 6 7.229 1.934 -3.157 39 HH12 ARG 6 2HH1 ARG 6 5.567 1.866 -3.641 40 HH21 ARG 6 1HH2 ARG 6 5.994 3.941 -6.424 41 HH22 ARG 6 2HH2 ARG 6 4.866 3.007 -5.500 42 H ILE 7 H ILE 7 11.540 -0.309 -3.718 43 HA ILE 7 HA ILE 7 14.045 0.957 -4.115 44 HB ILE 7 HB ILE 7 13.161 -0.955 -1.951 45 HG12 ILE 7 1HG1 ILE 7 13.528 2.011 -1.660 46 HG13 ILE 7 2HG1 ILE 7 12.029 1.365 -2.318 47 HG21 ILE 7 1HG2 ILE 7 15.733 0.351 -2.497 48 HG22 ILE 7 2HG2 ILE 7 15.139 0.535 -0.847 49 HG23 ILE 7 3HG2 ILE 7 15.365 -1.076 -1.528 50 HD11 ILE 7 3HD1 ILE 7 13.045 1.360 0.430 51 HD12 ILE 7 1HD1 ILE 7 11.389 1.367 -0.174 52 HD13 ILE 7 2HD1 ILE 7 12.293 -0.145 -0.096 53 H PHE 8 H PHE 8 12.975 -2.398 -4.231 54 HA PHE 8 HA PHE 8 15.487 -3.632 -4.339 55 HB2 PHE 8 1HB PHE 8 13.391 -4.867 -3.971 56 HB3 PHE 8 2HB PHE 8 12.898 -4.523 -5.626 57 HD1 PHE 8 HD2 PHE 8 15.209 -6.433 -3.513 58 HD2 PHE 8 HD1 PHE 8 13.815 -5.734 -7.473 59 HE1 PHE 8 HE2 PHE 8 16.345 -8.480 -4.270 60 HE2 PHE 8 HE1 PHE 8 14.947 -7.780 -8.237 61 HZ PHE 8 HZ PHE 8 16.216 -9.156 -6.635 62 H LYS 9 H LYS 9 13.696 -1.872 -6.719 63 HA LYS 9 HA LYS 9 14.907 -2.891 -9.053 64 HB2 LYS 9 1HB LYS 9 13.934 -0.059 -8.701 65 HB3 LYS 9 2HB LYS 9 13.990 -1.007 -10.182 66 HG2 LYS 9 1HG LYS 9 12.163 -1.431 -7.829 67 HG3 LYS 9 2HG LYS 9 11.720 -0.851 -9.436 68 HD2 LYS 9 1HD LYS 9 12.843 -3.579 -8.796 69 HD3 LYS 9 2HD LYS 9 11.148 -3.218 -9.131 70 HE2 LYS 9 1HE LYS 9 13.456 -2.812 -11.032 71 HE3 LYS 9 2HE LYS 9 12.279 -4.123 -11.101 72 HZ1 LYS 9 3HZ LYS 9 10.536 -2.496 -11.474 73 HZ2 LYS 9 1HZ LYS 9 11.738 -2.354 -12.656 74 HZ3 LYS 9 2HZ LYS 9 11.659 -1.233 -11.393 75 H ARG 10 H ARG 10 16.023 -0.722 -6.613 76 HA ARG 10 HA ARG 10 18.136 0.391 -8.255 77 HB2 ARG 10 1HB ARG 10 17.771 0.647 -5.268 78 HB3 ARG 10 2HB ARG 10 18.743 1.673 -6.315 79 HG2 ARG 10 1HG ARG 10 15.744 1.435 -6.432 80 HG3 ARG 10 2HG ARG 10 16.634 2.730 -5.628 81 HD2 ARG 10 1HD ARG 10 17.529 3.505 -7.686 82 HD3 ARG 10 2HD ARG 10 16.972 2.069 -8.544 83 HE ARG 10 HE ARG 10 14.711 3.264 -7.520 84 HH11 ARG 10 1HH1 ARG 10 17.277 4.144 -9.701 85 HH12 ARG 10 2HH1 ARG 10 16.292 5.221 -10.633 86 HH21 ARG 10 1HH2 ARG 10 13.403 4.679 -8.740 87 HH22 ARG 10 2HH2 ARG 10 14.088 5.526 -10.085 88 H PHE 11 H PHE 11 17.978 -1.607 -5.304 89 HA PHE 11 HA PHE 11 20.691 -2.187 -5.108 90 HB2 PHE 11 1HB PHE 11 18.246 -3.725 -4.246 91 HB3 PHE 11 2HB PHE 11 19.876 -4.290 -3.897 92 HD1 PHE 11 HD1 PHE 11 17.583 -1.415 -3.410 93 HD2 PHE 11 HD2 PHE 11 21.035 -3.496 -2.041 94 HE1 PHE 11 HE1 PHE 11 17.640 0.007 -1.403 95 HE2 PHE 11 HE2 PHE 11 21.096 -2.078 -0.031 96 HZ PHE 11 HZ PHE 11 19.397 -0.324 0.290 97 H ASP 12 H ASP 12 18.225 -3.572 -7.152 98 HA ASP 12 HA ASP 12 19.994 -5.709 -8.043 99 HB2 ASP 12 1HB ASP 12 17.665 -6.299 -7.703 100 HB3 ASP 12 2HB ASP 12 17.146 -5.015 -8.791 101 H THR 13 H THR 13 21.406 -3.749 -8.755 102 HA THR 13 HA THR 13 20.782 -2.208 -10.989 103 HB THR 13 HB THR 13 23.448 -3.240 -10.019 104 HG1 THR 13 HG1 THR 13 22.054 -1.588 -8.855 105 HG21 THR 13 3HG2 THR 13 22.875 -1.215 -12.185 106 HG22 THR 13 1HG2 THR 13 23.649 -2.785 -12.396 107 HG23 THR 13 2HG2 THR 13 24.460 -1.518 -11.475 108 H ASN 14 H ASN 14 21.506 -5.562 -10.748 109 HA ASN 14 HA ASN 14 22.294 -5.872 -13.507 110 HB2 ASN 14 1HB ASN 14 23.283 -7.427 -12.015 111 HB3 ASN 14 2HB ASN 14 21.735 -7.816 -11.271 112 HD21 ASN 14 2HD2 ASN 14 22.311 -7.501 -14.711 113 HD22 ASN 14 1HD2 ASN 14 22.036 -9.162 -15.101 114 H GLY 15 H GLY 15 19.375 -5.529 -11.864 115 HA2 GLY 15 1HA GLY 15 17.176 -5.913 -12.424 116 HA3 GLY 15 2HA GLY 15 17.732 -5.603 -14.062 117 H ASP 16 H ASP 16 18.471 -8.303 -11.880 118 HA ASP 16 HA ASP 16 17.300 -10.113 -13.891 119 HB2 ASP 16 1HB ASP 16 19.177 -11.339 -13.899 120 HB3 ASP 16 2HB ASP 16 19.940 -10.015 -13.023 121 H GLY 17 H GLY 17 17.138 -8.990 -10.713 122 HA2 GLY 17 1HA GLY 17 15.213 -9.585 -9.384 123 HA3 GLY 17 2HA GLY 17 15.342 -11.220 -10.015 124 H LYS 18 H LYS 18 18.329 -9.820 -9.203 125 HA LYS 18 HA LYS 18 18.297 -10.724 -6.446 126 HB2 LYS 18 1HB LYS 18 20.323 -11.918 -8.332 127 HB3 LYS 18 2HB LYS 18 20.007 -12.362 -6.660 128 HG2 LYS 18 1HG LYS 18 17.806 -13.222 -7.316 129 HG3 LYS 18 2HG LYS 18 18.159 -12.810 -8.995 130 HD2 LYS 18 1HD LYS 18 20.264 -14.397 -7.765 131 HD3 LYS 18 2HD LYS 18 18.701 -15.218 -7.755 132 HE2 LYS 18 1HE LYS 18 18.792 -14.180 -10.282 133 HE3 LYS 18 2HE LYS 18 20.484 -14.578 -9.988 134 HZ1 LYS 18 3HZ LYS 18 19.177 -16.766 -9.083 135 HZ2 LYS 18 1HZ LYS 18 19.894 -16.622 -10.609 136 HZ3 LYS 18 2HZ LYS 18 18.240 -16.322 -10.421 137 H ILE 19 H ILE 19 20.297 -10.183 -5.302 138 HA ILE 19 HA ILE 19 21.696 -7.924 -6.579 139 HB ILE 19 HB ILE 19 21.520 -8.199 -3.606 140 HG12 ILE 19 1HG1 ILE 19 19.209 -8.388 -4.286 141 HG13 ILE 19 2HG1 ILE 19 19.478 -6.765 -3.661 142 HG21 ILE 19 1HG2 ILE 19 22.194 -6.119 -5.590 143 HG22 ILE 19 2HG2 ILE 19 21.348 -5.580 -4.141 144 HG23 ILE 19 3HG2 ILE 19 22.882 -6.436 -3.998 145 HD11 ILE 19 3HD1 ILE 19 19.963 -6.684 -6.439 146 HD12 ILE 19 1HD1 ILE 19 18.454 -7.560 -6.186 147 HD13 ILE 19 2HD1 ILE 19 18.651 -5.935 -5.530 148 H SER 20 H SER 20 23.771 -8.267 -6.971 149 HA SER 20 HA SER 20 25.178 -10.347 -5.446 150 HB2 SER 20 1HB SER 20 24.983 -10.047 -8.149 151 HB3 SER 20 2HB SER 20 26.502 -9.212 -7.825 152 HG SER 20 HG SER 20 27.369 -11.105 -7.655 153 H LEU 21 H LEU 21 27.781 -9.661 -5.899 154 HA LEU 21 HA LEU 21 28.198 -7.637 -3.939 155 HB2 LEU 21 1HB LEU 21 30.354 -8.657 -5.744 156 HB3 LEU 21 2HB LEU 21 30.456 -8.177 -4.051 157 HG LEU 21 HG LEU 21 29.300 -10.727 -5.167 158 HD11 LEU 21 1HD1 LEU 21 31.214 -11.709 -4.577 159 HD12 LEU 21 2HD1 LEU 21 31.298 -10.835 -3.048 160 HD13 LEU 21 3HD1 LEU 21 31.886 -10.079 -4.529 161 HD21 LEU 21 3HD2 LEU 21 27.981 -10.843 -3.385 162 HD22 LEU 21 1HD2 LEU 21 28.618 -9.321 -2.761 163 HD23 LEU 21 2HD2 LEU 21 29.421 -10.840 -2.366 164 H SER 22 H SER 22 28.034 -7.663 -7.388 165 HA SER 22 HA SER 22 29.420 -5.153 -7.728 166 HB2 SER 22 1HB SER 22 28.929 -7.249 -9.406 167 HB3 SER 22 2HB SER 22 27.698 -6.099 -9.927 168 HG SER 22 HG SER 22 30.432 -6.007 -10.207 169 H GLU 23 H GLU 23 26.112 -6.277 -7.470 170 HA GLU 23 HA GLU 23 25.011 -3.686 -8.155 171 HB2 GLU 23 1HB GLU 23 23.538 -6.061 -7.018 172 HB3 GLU 23 2HB GLU 23 22.861 -4.703 -7.906 173 HG2 GLU 23 1HG GLU 23 23.768 -5.444 -9.942 174 HG3 GLU 23 2HG GLU 23 24.842 -6.587 -9.138 175 H LEU 24 H LEU 24 24.946 -5.800 -5.283 176 HA LEU 24 HA LEU 24 23.698 -4.130 -3.503 177 HB2 LEU 24 1HB LEU 24 24.633 -6.532 -3.229 178 HB3 LEU 24 2HB LEU 24 26.086 -5.721 -2.650 179 HG LEU 24 HG LEU 24 23.459 -5.067 -1.393 180 HD11 LEU 24 1HD1 LEU 24 24.963 -7.228 -0.107 181 HD12 LEU 24 2HD1 LEU 24 24.166 -7.681 -1.613 182 HD13 LEU 24 3HD1 LEU 24 23.223 -7.001 -0.287 183 HD21 LEU 24 3HD2 LEU 24 25.886 -4.064 -0.991 184 HD22 LEU 24 1HD2 LEU 24 26.001 -5.459 0.083 185 HD23 LEU 24 2HD2 LEU 24 24.723 -4.267 0.320 186 H THR 25 H THR 25 27.196 -4.294 -4.144 187 HA THR 25 HA THR 25 28.079 -2.366 -2.384 188 HB THR 25 HB THR 25 29.577 -3.770 -3.769 189 HG1 THR 25 HG1 THR 25 31.071 -2.298 -3.454 190 HG21 THR 25 3HG2 THR 25 28.159 -3.152 -5.895 191 HG22 THR 25 1HG2 THR 25 29.883 -3.495 -6.034 192 HG23 THR 25 2HG2 THR 25 29.314 -1.825 -6.018 193 H ASP 26 H ASP 26 26.667 -1.936 -5.590 194 HA ASP 26 HA ASP 26 27.170 0.772 -5.963 195 HB2 ASP 26 1HB ASP 26 25.655 -1.218 -7.245 196 HB3 ASP 26 2HB ASP 26 24.526 0.090 -6.903 197 H ALA 27 H ALA 27 24.943 -0.809 -3.835 198 HA ALA 27 HA ALA 27 23.388 1.586 -3.340 199 HB1 ALA 27 1HB ALA 27 22.966 -1.171 -3.001 200 HB2 ALA 27 2HB ALA 27 22.939 -0.458 -1.387 201 HB3 ALA 27 3HB ALA 27 21.853 0.148 -2.638 202 H LEU 28 H LEU 28 25.360 -0.575 -1.292 203 HA LEU 28 HA LEU 28 25.467 1.108 0.932 204 HB2 LEU 28 1HB LEU 28 27.668 -0.768 0.114 205 HB3 LEU 28 2HB LEU 28 27.216 -0.270 1.743 206 HG LEU 28 HG LEU 28 25.760 -2.171 -0.082 207 HD11 LEU 28 1HD1 LEU 28 26.046 -3.268 2.433 208 HD12 LEU 28 2HD1 LEU 28 27.568 -2.414 2.176 209 HD13 LEU 28 3HD1 LEU 28 27.033 -3.630 1.016 210 HD21 LEU 28 3HD2 LEU 28 23.969 -1.028 0.837 211 HD22 LEU 28 1HD2 LEU 28 24.817 -0.705 2.349 212 HD23 LEU 28 2HD2 LEU 28 24.222 -2.329 2.002 213 H ARG 29 H ARG 29 27.080 1.313 -2.086 214 HA ARG 29 HA ARG 29 29.193 3.039 -1.082 215 HB2 ARG 29 1HB ARG 29 30.137 2.935 -3.236 216 HB3 ARG 29 2HB ARG 29 29.479 1.328 -2.956 217 HG2 ARG 29 1HG ARG 29 28.690 1.651 -5.048 218 HG3 ARG 29 2HG ARG 29 27.371 2.418 -4.160 219 HD2 ARG 29 1HD ARG 29 27.757 4.227 -5.404 220 HD3 ARG 29 2HD ARG 29 29.225 4.443 -4.451 221 HE ARG 29 HE ARG 29 29.845 2.680 -6.498 222 HH11 ARG 29 1HH1 ARG 29 28.803 5.984 -6.160 223 HH12 ARG 29 2HH1 ARG 29 29.586 6.517 -7.611 224 HH21 ARG 29 1HH2 ARG 29 30.880 3.368 -8.411 225 HH22 ARG 29 2HH2 ARG 29 30.766 5.028 -8.891 226 H THR 30 H THR 30 26.053 3.291 -2.465 227 HA THR 30 HA THR 30 26.410 6.052 -3.297 228 HB THR 30 HB THR 30 23.986 4.247 -3.334 229 HG1 THR 30 HG1 THR 30 24.566 3.870 -5.354 230 HG21 THR 30 3HG2 THR 30 23.287 6.566 -3.016 231 HG22 THR 30 1HG2 THR 30 22.893 6.013 -4.643 232 HG23 THR 30 2HG2 THR 30 24.284 7.065 -4.382 233 H LEU 31 H LEU 31 25.072 4.236 -0.636 234 HA LEU 31 HA LEU 31 24.092 6.730 0.578 235 HB2 LEU 31 1HB LEU 31 23.455 4.069 1.736 236 HB3 LEU 31 2HB LEU 31 22.494 5.546 1.710 237 HG LEU 31 HG LEU 31 22.829 3.510 -0.479 238 HD11 LEU 31 1HD1 LEU 31 20.539 3.133 -0.240 239 HD12 LEU 31 2HD1 LEU 31 20.291 4.629 0.661 240 HD13 LEU 31 3HD1 LEU 31 21.126 3.272 1.418 241 HD21 LEU 31 3HD2 LEU 31 21.036 5.706 -1.078 242 HD22 LEU 31 1HD2 LEU 31 22.312 4.987 -2.062 243 HD23 LEU 31 2HD2 LEU 31 22.705 6.247 -0.891 244 H GLY 32 H GLY 32 26.450 4.246 0.810 245 HA2 GLY 32 1HA GLY 32 27.296 5.325 3.429 246 HA3 GLY 32 2HA GLY 32 27.443 3.623 3.018 247 H SER 33 H SER 33 28.209 4.426 0.211 248 HA SER 33 HA SER 33 30.087 4.878 -1.000 249 HB2 SER 33 1HB SER 33 30.022 6.972 0.629 250 HB3 SER 33 2HB SER 33 31.458 6.200 1.301 251 HG SER 33 HG SER 33 31.189 7.603 -0.987 252 H THR 34 H THR 34 29.777 2.503 0.648 253 HA THR 34 HA THR 34 32.461 1.888 1.586 254 HB THR 34 HB THR 34 30.248 1.127 2.708 255 HG1 THR 34 HG1 THR 34 31.941 0.210 3.646 256 HG21 THR 34 3HG2 THR 34 29.536 0.109 0.408 257 HG22 THR 34 1HG2 THR 34 29.151 -0.744 1.902 258 HG23 THR 34 2HG2 THR 34 30.525 -1.257 0.923 259 H SER 35 H SER 35 32.816 -0.715 1.000 260 HA SER 35 HA SER 35 32.828 -0.820 -1.945 261 HB2 SER 35 1HB SER 35 35.021 -1.964 -0.215 262 HB3 SER 35 2HB SER 35 35.040 -1.688 -1.956 263 HG SER 35 HG SER 35 36.196 -0.085 -0.749 264 H ALA 36 H ALA 36 33.800 -3.296 -2.380 265 HA ALA 36 HA ALA 36 31.570 -4.956 -1.773 266 HB1 ALA 36 1HB ALA 36 34.046 -6.222 -2.765 267 HB2 ALA 36 2HB ALA 36 32.387 -6.357 -3.348 268 HB3 ALA 36 3HB ALA 36 33.358 -4.946 -3.770 269 H ASP 37 H ASP 37 34.663 -4.434 -0.306 270 HA ASP 37 HA ASP 37 35.107 -6.816 1.032 271 HB2 ASP 37 1HB ASP 37 35.750 -3.957 1.653 272 HB3 ASP 37 2HB ASP 37 36.085 -5.200 2.855 273 H GLU 38 H GLU 38 32.693 -4.399 1.590 274 HA GLU 38 HA GLU 38 31.921 -5.702 4.111 275 HB2 GLU 38 1HB GLU 38 30.781 -3.104 3.126 276 HB3 GLU 38 2HB GLU 38 30.868 -3.715 4.772 277 HG2 GLU 38 1HG GLU 38 33.214 -2.806 3.121 278 HG3 GLU 38 2HG GLU 38 32.419 -1.866 4.383 279 H VAL 39 H VAL 39 31.090 -5.412 0.844 280 HA VAL 39 HA VAL 39 28.261 -5.710 1.066 281 HB VAL 39 HB VAL 39 30.165 -6.181 -1.224 282 HG11 VAL 39 1HG1 VAL 39 27.190 -6.559 -1.076 283 HG12 VAL 39 2HG1 VAL 39 28.009 -6.198 -2.597 284 HG13 VAL 39 3HG1 VAL 39 28.413 -7.664 -1.702 285 HG21 VAL 39 3HG2 VAL 39 29.795 -4.047 -1.806 286 HG22 VAL 39 1HG2 VAL 39 28.074 -4.147 -1.436 287 HG23 VAL 39 2HG2 VAL 39 29.238 -3.848 -0.145 288 H GLN 40 H GLN 40 30.758 -8.002 -0.059 289 HA GLN 40 HA GLN 40 29.187 -10.268 -0.164 290 HB2 GLN 40 1HB GLN 40 31.387 -11.500 0.326 291 HB3 GLN 40 2HB GLN 40 31.329 -10.460 -1.091 292 HG2 GLN 40 1HG GLN 40 32.723 -8.892 -0.171 293 HG3 GLN 40 2HG GLN 40 32.305 -9.333 1.484 294 HE21 GLN 40 2HE2 GLN 40 32.768 -11.956 1.615 295 HE22 GLN 40 1HE2 GLN 40 34.428 -12.315 1.297 296 H ARG 41 H ARG 41 30.436 -8.611 2.603 297 HA ARG 41 HA ARG 41 29.998 -10.829 4.410 298 HB2 ARG 41 1HB ARG 41 30.444 -8.000 5.298 299 HB3 ARG 41 2HB ARG 41 30.940 -9.497 6.076 300 HG2 ARG 41 1HG ARG 41 32.125 -8.294 3.584 301 HG3 ARG 41 2HG ARG 41 32.863 -8.352 5.186 302 HD2 ARG 41 1HD ARG 41 32.118 -10.992 4.508 303 HD3 ARG 41 2HD ARG 41 32.929 -10.303 3.102 304 HE ARG 41 HE ARG 41 34.112 -10.962 5.642 305 HH11 ARG 41 1HH1 ARG 41 34.389 -9.038 2.754 306 HH12 ARG 41 2HH1 ARG 41 36.105 -8.840 2.894 307 HH21 ARG 41 1HH2 ARG 41 36.370 -10.708 5.838 308 HH22 ARG 41 2HH2 ARG 41 37.231 -9.791 4.648 309 H MET 42 H MET 42 28.332 -7.944 3.359 310 HA MET 42 HA MET 42 26.358 -8.007 5.440 311 HB2 MET 42 1HB MET 42 26.832 -5.889 4.432 312 HB3 MET 42 2HB MET 42 26.524 -6.520 2.820 313 HG2 MET 42 1HG MET 42 24.314 -6.229 2.990 314 HG3 MET 42 2HG MET 42 24.269 -6.773 4.665 315 HE1 MET 42 3HE MET 42 26.379 -4.527 6.098 316 HE2 MET 42 1HE MET 42 24.972 -3.679 6.742 317 HE3 MET 42 2HE MET 42 24.966 -5.440 6.631 318 H MET 43 H MET 43 26.496 -9.024 2.050 319 HA MET 43 HA MET 43 23.783 -9.951 2.016 320 HB2 MET 43 1HB MET 43 24.459 -10.971 -0.177 321 HB3 MET 43 2HB MET 43 24.717 -9.235 -0.062 322 HG2 MET 43 1HG MET 43 26.825 -9.523 -0.641 323 HG3 MET 43 2HG MET 43 27.087 -10.478 0.816 324 HE1 MET 43 3HE MET 43 24.633 -11.623 -2.135 325 HE2 MET 43 1HE MET 43 25.825 -10.525 -2.831 326 HE3 MET 43 2HE MET 43 25.846 -12.235 -3.260 327 H ALA 44 H ALA 44 26.860 -11.291 2.860 328 HA ALA 44 HA ALA 44 26.392 -14.016 2.514 329 HB1 ALA 44 1HB ALA 44 28.226 -12.370 4.114 330 HB2 ALA 44 2HB ALA 44 27.942 -13.997 4.734 331 HB3 ALA 44 3HB ALA 44 28.551 -13.773 3.094 332 H GLU 45 H GLU 45 25.279 -11.814 4.987 333 HA GLU 45 HA GLU 45 24.212 -14.000 6.597 334 HB2 GLU 45 1HB GLU 45 23.496 -12.132 8.127 335 HB3 GLU 45 2HB GLU 45 25.231 -12.275 7.884 336 HG2 GLU 45 1HG GLU 45 25.155 -10.446 6.266 337 HG3 GLU 45 2HG GLU 45 23.417 -10.298 6.520 338 H ILE 46 H ILE 46 23.160 -11.441 4.457 339 HA ILE 46 HA ILE 46 20.387 -11.617 5.058 340 HB ILE 46 HB ILE 46 21.789 -10.562 2.601 341 HG12 ILE 46 1HG1 ILE 46 20.510 -9.057 4.889 342 HG13 ILE 46 2HG1 ILE 46 22.230 -9.419 4.802 343 HG21 ILE 46 1HG2 ILE 46 19.655 -9.420 2.119 344 HG22 ILE 46 2HG2 ILE 46 19.525 -11.176 2.030 345 HG23 ILE 46 3HG2 ILE 46 18.904 -10.317 3.439 346 HD11 ILE 46 3HD1 ILE 46 20.743 -7.855 2.710 347 HD12 ILE 46 1HD1 ILE 46 21.602 -7.127 4.068 348 HD13 ILE 46 2HD1 ILE 46 22.487 -8.063 2.863 349 H ASP 47 H ASP 47 22.487 -13.172 2.692 350 HA ASP 47 HA ASP 47 20.561 -14.355 1.069 351 HB2 ASP 47 1HB ASP 47 23.342 -14.447 1.296 352 HB3 ASP 47 2HB ASP 47 22.826 -16.117 1.514 353 H THR 48 H THR 48 18.893 -15.525 1.754 354 HA THR 48 HA THR 48 18.924 -17.033 4.176 355 HB THR 48 HB THR 48 16.905 -17.066 1.924 356 HG1 THR 48 HG1 THR 48 17.266 -15.457 4.210 357 HG21 THR 48 3HG2 THR 48 15.533 -17.706 4.170 358 HG22 THR 48 1HG2 THR 48 17.080 -18.484 4.501 359 HG23 THR 48 2HG2 THR 48 16.182 -18.893 3.039 360 H ASP 49 H ASP 49 19.599 -17.737 0.850 361 HA ASP 49 HA ASP 49 19.811 -20.603 1.503 362 HB2 ASP 49 1HB ASP 49 19.901 -20.565 -1.209 363 HB3 ASP 49 2HB ASP 49 18.420 -20.767 -0.277 364 H GLY 50 H GLY 50 21.545 -17.794 0.775 365 HA2 GLY 50 1HA GLY 50 23.754 -17.382 0.302 366 HA3 GLY 50 2HA GLY 50 24.058 -18.922 1.093 367 H ASP 51 H ASP 51 23.227 -17.439 -2.007 368 HA ASP 51 HA ASP 51 24.609 -19.673 -3.336 369 HB2 ASP 51 1HB ASP 51 22.993 -19.843 -5.001 370 HB3 ASP 51 2HB ASP 51 22.016 -19.547 -3.565 371 H GLY 52 H GLY 52 25.197 -16.752 -2.486 372 HA2 GLY 52 1HA GLY 52 26.840 -15.324 -3.333 373 HA3 GLY 52 2HA GLY 52 26.701 -16.126 -4.891 374 H PHE 53 H PHE 53 23.651 -15.380 -3.784 375 HA PHE 53 HA PHE 53 23.627 -12.661 -4.830 376 HB2 PHE 53 1HB PHE 53 22.101 -14.951 -6.070 377 HB3 PHE 53 2HB PHE 53 21.671 -13.264 -6.328 378 HD1 PHE 53 HD2 PHE 53 24.127 -15.884 -7.016 379 HD2 PHE 53 HD1 PHE 53 23.041 -11.823 -7.689 380 HE1 PHE 53 HE2 PHE 53 25.756 -15.756 -8.856 381 HE2 PHE 53 HE1 PHE 53 24.668 -11.690 -9.530 382 HZ PHE 53 HZ PHE 53 26.028 -13.658 -10.115 383 H ILE 54 H ILE 54 21.857 -11.436 -4.164 384 HA ILE 54 HA ILE 54 20.320 -12.642 -1.971 385 HB ILE 54 HB ILE 54 20.958 -9.760 -2.591 386 HG12 ILE 54 1HG1 ILE 54 22.763 -11.062 -1.538 387 HG13 ILE 54 2HG1 ILE 54 22.135 -9.834 -0.445 388 HG21 ILE 54 1HG2 ILE 54 19.788 -9.851 -0.084 389 HG22 ILE 54 2HG2 ILE 54 19.058 -9.226 -1.562 390 HG23 ILE 54 3HG2 ILE 54 18.768 -10.896 -1.074 391 HD11 ILE 54 3HD1 ILE 54 22.372 -11.694 0.906 392 HD12 ILE 54 1HD1 ILE 54 20.661 -11.726 0.480 393 HD13 ILE 54 2HD1 ILE 54 21.795 -12.799 -0.341 394 H ASP 55 H ASP 55 18.451 -13.433 -2.730 395 HA ASP 55 HA ASP 55 17.049 -12.420 -4.963 396 HB2 ASP 55 1HB ASP 55 15.857 -14.064 -2.728 397 HB3 ASP 55 2HB ASP 55 15.329 -13.985 -4.407 398 H PHE 56 H PHE 56 14.447 -12.146 -4.347 399 HA PHE 56 HA PHE 56 14.393 -9.527 -3.125 400 HB2 PHE 56 1HB PHE 56 13.125 -10.197 -5.234 401 HB3 PHE 56 2HB PHE 56 12.024 -11.072 -4.175 402 HD1 PHE 56 HD1 PHE 56 11.083 -9.641 -2.164 403 HD2 PHE 56 HD2 PHE 56 12.604 -8.037 -5.802 404 HE1 PHE 56 HE1 PHE 56 9.803 -7.574 -1.785 405 HE2 PHE 56 HE2 PHE 56 11.327 -5.968 -5.428 406 HZ PHE 56 HZ PHE 56 9.925 -5.734 -3.417 407 H ASN 57 H ASN 57 13.181 -12.759 -2.431 408 HA ASN 57 HA ASN 57 11.525 -12.107 -0.259 409 HB2 ASN 57 1HB ASN 57 12.684 -14.534 -1.414 410 HB3 ASN 57 2HB ASN 57 12.481 -14.630 0.333 411 HD21 ASN 57 2HD2 ASN 57 10.707 -13.540 -2.540 412 HD22 ASN 57 1HD2 ASN 57 9.177 -14.167 -2.042 413 H GLU 58 H GLU 58 14.752 -13.626 -0.095 414 HA GLU 58 HA GLU 58 15.171 -13.307 2.616 415 HB2 GLU 58 1HB GLU 58 17.632 -13.349 2.024 416 HB3 GLU 58 2HB GLU 58 16.672 -14.686 1.407 417 HG2 GLU 58 1HG GLU 58 16.483 -13.099 -0.699 418 HG3 GLU 58 2HG GLU 58 17.992 -12.465 -0.044 419 H PHE 59 H PHE 59 15.522 -10.980 0.034 420 HA PHE 59 HA PHE 59 17.099 -9.049 1.229 421 HB2 PHE 59 1HB PHE 59 16.086 -9.108 -1.140 422 HB3 PHE 59 2HB PHE 59 14.682 -8.333 -0.415 423 HD1 PHE 59 HD1 PHE 59 18.389 -7.912 -0.224 424 HD2 PHE 59 HD2 PHE 59 14.586 -6.076 -0.756 425 HE1 PHE 59 HE1 PHE 59 19.483 -5.721 -0.461 426 HE2 PHE 59 HE2 PHE 59 15.674 -3.882 -0.994 427 HZ PHE 59 HZ PHE 59 18.126 -3.702 -0.848 428 H ILE 60 H ILE 60 13.626 -9.609 1.578 429 HA ILE 60 HA ILE 60 13.310 -7.372 3.382 430 HB ILE 60 HB ILE 60 11.254 -9.521 2.995 431 HG12 ILE 60 1HG1 ILE 60 11.868 -7.245 1.098 432 HG13 ILE 60 2HG1 ILE 60 12.015 -8.964 0.748 433 HG21 ILE 60 1HG2 ILE 60 10.976 -7.662 4.661 434 HG22 ILE 60 2HG2 ILE 60 10.933 -6.544 3.299 435 HG23 ILE 60 3HG2 ILE 60 9.694 -7.788 3.457 436 HD11 ILE 60 3HD1 ILE 60 9.939 -8.956 0.004 437 HD12 ILE 60 1HD1 ILE 60 9.375 -8.530 1.620 438 HD13 ILE 60 2HD1 ILE 60 9.758 -7.261 0.456 439 H SER 61 H SER 61 13.767 -10.823 3.585 440 HA SER 61 HA SER 61 12.876 -11.367 6.146 441 HB2 SER 61 1HB SER 61 13.605 -13.171 4.744 442 HB3 SER 61 2HB SER 61 15.231 -12.499 4.625 443 HG SER 61 HG SER 61 14.256 -13.061 7.174 444 H PHE 62 H PHE 62 16.058 -10.160 5.130 445 HA PHE 62 HA PHE 62 16.905 -9.854 7.888 446 HB2 PHE 62 1HB PHE 62 18.217 -10.165 5.398 447 HB3 PHE 62 2HB PHE 62 18.690 -8.591 6.031 448 HD1 PHE 62 HD1 PHE 62 18.189 -12.056 7.334 449 HD2 PHE 62 HD2 PHE 62 20.605 -8.552 7.278 450 HE1 PHE 62 HE1 PHE 62 19.805 -13.151 8.832 451 HE2 PHE 62 HE2 PHE 62 22.225 -9.642 8.775 452 HZ PHE 62 HZ PHE 62 21.827 -11.944 9.553 453 H CYS 63 H CYS 63 16.307 -7.746 5.088 454 HA CYS 63 HA CYS 63 16.864 -5.295 6.204 455 HB2 CYS 63 1HB CYS 63 16.342 -5.428 3.876 456 HB3 CYS 63 2HB CYS 63 14.741 -6.079 4.207 457 HG CYS 63 HG CYS 63 15.761 -2.909 4.070 458 H ASN 64 H ASN 64 13.958 -7.253 6.557 459 HA ASN 64 HA ASN 64 12.277 -5.400 7.767 460 HB2 ASN 64 1HB ASN 64 11.517 -7.614 7.044 461 HB3 ASN 64 2HB ASN 64 12.485 -8.371 8.306 462 HD21 ASN 64 2HD2 ASN 64 10.439 -5.490 8.406 463 HD22 ASN 64 1HD2 ASN 64 9.373 -6.076 9.633 464 H ALA 65 H ALA 65 14.915 -7.281 9.109 465 HA ALA 65 HA ALA 65 14.350 -6.744 11.842 466 HB1 ALA 65 1HB ALA 65 16.309 -8.193 10.354 467 HB2 ALA 65 2HB ALA 65 17.121 -7.173 11.542 468 HB3 ALA 65 3HB ALA 65 15.891 -8.324 12.063 469 H ASN 66 H ASN 66 15.669 -4.858 9.323 470 HA ASN 66 HA ASN 66 16.788 -2.943 11.260 471 HB2 ASN 66 1HB ASN 66 17.435 -3.469 8.363 472 HB3 ASN 66 2HB ASN 66 17.926 -1.983 9.171 473 HD21 ASN 66 2HD2 ASN 66 17.880 -5.432 10.017 474 HD22 ASN 66 1HD2 ASN 66 19.527 -5.499 10.535 475 HA PRO 67 HA PRO 67 12.890 -0.997 9.736 476 HB2 PRO 67 1HB PRO 67 12.256 0.114 12.131 477 HB3 PRO 67 2HB PRO 67 11.820 -1.543 11.694 478 HG2 PRO 67 1HG PRO 67 14.101 -0.562 13.367 479 HG3 PRO 67 2HG PRO 67 13.020 -1.940 13.647 480 HD2 PRO 67 1HD PRO 67 15.515 -2.227 12.634 481 HD3 PRO 67 2HD PRO 67 14.174 -3.301 12.188 482 H GLY 68 H GLY 68 15.698 0.166 11.453 483 HA2 GLY 68 1HA GLY 68 15.086 2.957 11.056 484 HA3 GLY 68 2HA GLY 68 16.588 2.295 11.684 485 H LEU 69 H LEU 69 16.563 0.482 9.195 486 HA LEU 69 HA LEU 69 18.039 2.362 7.531 487 HB2 LEU 69 1HB LEU 69 19.028 0.188 8.138 488 HB3 LEU 69 2HB LEU 69 17.723 -0.625 7.276 489 HG LEU 69 HG LEU 69 19.603 1.269 5.894 490 HD11 LEU 69 1HD1 LEU 69 20.114 -1.441 6.878 491 HD12 LEU 69 2HD1 LEU 69 21.240 -0.188 6.355 492 HD13 LEU 69 3HD1 LEU 69 20.445 -1.213 5.160 493 HD21 LEU 69 3HD2 LEU 69 18.813 -0.719 4.167 494 HD22 LEU 69 1HD2 LEU 69 18.117 0.898 4.270 495 HD23 LEU 69 2HD2 LEU 69 17.369 -0.440 5.141 496 H MET 70 H MET 70 15.419 -0.019 7.164 497 HA MET 70 HA MET 70 14.822 0.381 4.497 498 HB2 MET 70 1HB MET 70 12.504 -0.341 5.094 499 HB3 MET 70 2HB MET 70 13.767 -1.396 5.714 500 HG2 MET 70 1HG MET 70 13.521 -0.541 7.912 501 HG3 MET 70 2HG MET 70 12.478 0.765 7.353 502 HE1 MET 70 3HE MET 70 12.658 -2.807 6.220 503 HE2 MET 70 1HE MET 70 12.456 -3.352 7.885 504 HE3 MET 70 2HE MET 70 11.143 -3.556 6.726 505 H LYS 71 H LYS 71 14.260 2.467 7.192 506 HA LYS 71 HA LYS 71 12.271 4.085 5.873 507 HB2 LYS 71 1HB LYS 71 13.815 4.357 8.444 508 HB3 LYS 71 2HB LYS 71 12.773 5.644 7.852 509 HG2 LYS 71 1HG LYS 71 10.893 3.999 7.824 510 HG3 LYS 71 2HG LYS 71 11.968 2.851 8.626 511 HD2 LYS 71 1HD LYS 71 11.398 5.594 9.727 512 HD3 LYS 71 2HD LYS 71 10.420 4.181 10.129 513 HE2 LYS 71 1HE LYS 71 12.211 3.113 11.205 514 HE3 LYS 71 2HE LYS 71 13.403 4.186 10.472 515 HZ1 LYS 71 3HZ LYS 71 11.417 4.909 12.558 516 HZ2 LYS 71 1HZ LYS 71 12.443 6.014 11.790 517 HZ3 LYS 71 2HZ LYS 71 13.093 4.787 12.755 518 H ASP 72 H ASP 72 15.737 4.089 6.264 519 HA ASP 72 HA ASP 72 16.031 6.774 5.214 520 HB2 ASP 72 1HB ASP 72 17.670 4.941 6.678 521 HB3 ASP 72 2HB ASP 72 18.517 5.400 5.203 522 H VAL 73 H VAL 73 16.494 3.452 4.124 523 HA VAL 73 HA VAL 73 17.659 4.118 1.619 524 HB VAL 73 HB VAL 73 17.961 1.899 2.549 525 HG11 VAL 73 1HG1 VAL 73 15.221 0.995 1.940 526 HG12 VAL 73 2HG1 VAL 73 16.313 0.520 3.242 527 HG13 VAL 73 3HG1 VAL 73 15.398 2.024 3.361 528 HG21 VAL 73 3HG2 VAL 73 18.100 2.096 0.141 529 HG22 VAL 73 1HG2 VAL 73 17.365 0.550 0.568 530 HG23 VAL 73 2HG2 VAL 73 16.357 1.878 -0.007 531 H ALA 74 H ALA 74 14.356 3.572 2.715 532 HA ALA 74 HA ALA 74 13.220 3.663 0.083 533 HB1 ALA 74 1HB ALA 74 11.670 4.141 2.602 534 HB2 ALA 74 2HB ALA 74 11.152 3.363 1.105 535 HB3 ALA 74 3HB ALA 74 12.266 2.532 2.191 536 H LYS 75 H LYS 75 14.727 5.991 1.714 537 HA LYS 75 HA LYS 75 12.805 8.129 1.204 538 HB2 LYS 75 1HB LYS 75 13.948 9.381 2.715 539 HB3 LYS 75 2HB LYS 75 14.508 7.804 3.256 540 HG2 LYS 75 1HG LYS 75 16.454 8.155 1.623 541 HG3 LYS 75 2HG LYS 75 15.953 9.847 1.612 542 HD2 LYS 75 1HD LYS 75 16.203 8.620 4.277 543 HD3 LYS 75 2HD LYS 75 17.713 8.790 3.378 544 HE2 LYS 75 1HE LYS 75 16.690 11.217 2.943 545 HE3 LYS 75 2HE LYS 75 15.904 10.863 4.481 546 HZ1 LYS 75 3HZ LYS 75 18.778 11.133 3.892 547 HZ2 LYS 75 1HZ LYS 75 18.267 10.222 5.224 548 HZ3 LYS 75 2HZ LYS 75 17.867 11.861 5.118 549 H VAL 76 H VAL 76 15.765 6.790 -0.049 550 HA VAL 76 HA VAL 76 15.697 8.789 -2.212 551 HB VAL 76 HB VAL 76 17.625 9.206 -0.727 552 HG11 VAL 76 1HG1 VAL 76 19.086 6.817 -1.609 553 HG12 VAL 76 2HG1 VAL 76 19.071 7.628 -0.042 554 HG13 VAL 76 3HG1 VAL 76 17.778 6.507 -0.469 555 HG21 VAL 76 3HG2 VAL 76 19.228 8.356 -2.906 556 HG22 VAL 76 1HG2 VAL 76 17.655 8.831 -3.546 557 HG23 VAL 76 2HG2 VAL 76 18.592 9.967 -2.576 558 H PHE 77 H PHE 77 16.327 5.488 -1.222 559 HA PHE 77 HA PHE 77 16.682 4.668 -4.011 560 HB2 PHE 77 1HB PHE 77 17.387 3.500 -1.374 561 HB3 PHE 77 2HB PHE 77 16.972 2.366 -2.654 562 HD1 PHE 77 HD2 PHE 77 18.663 5.615 -3.121 563 HD2 PHE 77 HD1 PHE 77 19.082 1.381 -2.999 564 HE1 PHE 77 HE2 PHE 77 20.939 5.817 -4.032 565 HE2 PHE 77 HE1 PHE 77 21.360 1.577 -3.910 566 HZ PHE 77 HZ PHE 77 22.290 3.797 -4.429 Start of MODEL 6 1 H1 ALA 1 H ALA 1 0.250 -2.723 -1.739 2 HA ALA 1 HA ALA 1 2.187 -2.642 -3.960 3 HB1 ALA 1 1HB ALA 1 1.527 -0.482 -4.091 4 HB2 ALA 1 2HB ALA 1 0.959 -0.438 -2.422 5 HB3 ALA 1 3HB ALA 1 2.682 -0.295 -2.770 6 H ASP 2 H ASP 2 4.403 -1.955 -3.208 7 HA ASP 2 HA ASP 2 5.028 -2.592 -0.444 8 HB2 ASP 2 1HB ASP 2 6.046 -4.242 -2.763 9 HB3 ASP 2 2HB ASP 2 6.764 -4.270 -1.155 10 H ASP 3 H ASP 3 6.599 -1.305 0.267 11 HA ASP 3 HA ASP 3 7.820 0.605 -1.432 12 HB2 ASP 3 1HB ASP 3 8.641 -0.147 1.380 13 HB3 ASP 3 2HB ASP 3 8.991 1.364 0.545 14 H MET 4 H MET 4 8.817 -2.506 -0.197 15 HA MET 4 HA MET 4 11.582 -2.241 -0.809 16 HB2 MET 4 1HB MET 4 9.871 -4.705 -0.435 17 HB3 MET 4 2HB MET 4 11.625 -4.718 -0.559 18 HG2 MET 4 1HG MET 4 10.164 -3.153 1.544 19 HG3 MET 4 2HG MET 4 10.644 -4.834 1.764 20 HE1 MET 4 3HE MET 4 13.242 -5.503 2.544 21 HE2 MET 4 1HE MET 4 13.105 -5.466 0.786 22 HE3 MET 4 2HE MET 4 14.486 -4.708 1.578 23 H GLU 5 H GLU 5 8.778 -2.927 -2.682 24 HA GLU 5 HA GLU 5 9.962 -4.390 -4.786 25 HB2 GLU 5 1HB GLU 5 7.559 -4.340 -4.523 26 HB3 GLU 5 2HB GLU 5 7.531 -2.597 -4.748 27 HG2 GLU 5 1HG GLU 5 8.240 -2.850 -7.047 28 HG3 GLU 5 2HG GLU 5 8.373 -4.595 -6.835 29 H ARG 6 H ARG 6 9.254 -0.917 -4.455 30 HA ARG 6 HA ARG 6 10.467 -0.208 -6.928 31 HB2 ARG 6 1HB ARG 6 10.345 2.128 -5.998 32 HB3 ARG 6 2HB ARG 6 8.815 1.264 -6.040 33 HG2 ARG 6 1HG ARG 6 8.892 0.858 -3.694 34 HG3 ARG 6 2HG ARG 6 10.545 1.465 -3.589 35 HD2 ARG 6 1HD ARG 6 8.319 3.202 -4.594 36 HD3 ARG 6 2HD ARG 6 8.606 3.005 -2.866 37 HE ARG 6 HE ARG 6 11.042 3.679 -3.787 38 HH11 ARG 6 1HH1 ARG 6 7.885 5.074 -4.243 39 HH12 ARG 6 2HH1 ARG 6 8.482 6.689 -4.430 40 HH21 ARG 6 1HH2 ARG 6 11.841 5.801 -4.032 41 HH22 ARG 6 2HH2 ARG 6 10.733 7.102 -4.311 42 H ILE 7 H ILE 7 11.587 -0.364 -3.597 43 HA ILE 7 HA ILE 7 14.072 0.942 -4.044 44 HB ILE 7 HB ILE 7 13.246 -0.971 -1.859 45 HG12 ILE 7 1HG1 ILE 7 13.617 1.986 -1.539 46 HG13 ILE 7 2HG1 ILE 7 12.119 1.371 -2.230 47 HG21 ILE 7 1HG2 ILE 7 15.797 0.360 -2.457 48 HG22 ILE 7 2HG2 ILE 7 15.237 0.521 -0.793 49 HG23 ILE 7 3HG2 ILE 7 15.464 -1.080 -1.496 50 HD11 ILE 7 3HD1 ILE 7 13.102 1.294 0.531 51 HD12 ILE 7 1HD1 ILE 7 11.453 1.342 -0.093 52 HD13 ILE 7 2HD1 ILE 7 12.332 -0.187 -0.038 53 H PHE 8 H PHE 8 13.002 -2.403 -4.192 54 HA PHE 8 HA PHE 8 15.511 -3.645 -4.318 55 HB2 PHE 8 1HB PHE 8 13.383 -4.857 -3.970 56 HB3 PHE 8 2HB PHE 8 12.935 -4.523 -5.639 57 HD1 PHE 8 HD2 PHE 8 15.165 -6.438 -3.449 58 HD2 PHE 8 HD1 PHE 8 13.915 -5.738 -7.457 59 HE1 PHE 8 HE2 PHE 8 16.313 -8.494 -4.163 60 HE2 PHE 8 HE1 PHE 8 15.060 -7.793 -8.177 61 HZ PHE 8 HZ PHE 8 16.262 -9.173 -6.529 62 H LYS 9 H LYS 9 13.727 -1.840 -6.666 63 HA LYS 9 HA LYS 9 14.927 -2.832 -9.018 64 HB2 LYS 9 1HB LYS 9 13.965 -0.002 -8.622 65 HB3 LYS 9 2HB LYS 9 14.016 -0.927 -10.117 66 HG2 LYS 9 1HG LYS 9 12.191 -1.382 -7.769 67 HG3 LYS 9 2HG LYS 9 11.747 -0.774 -9.365 68 HD2 LYS 9 1HD LYS 9 12.852 -3.518 -8.763 69 HD3 LYS 9 2HD LYS 9 11.164 -3.139 -9.111 70 HE2 LYS 9 1HE LYS 9 13.522 -2.842 -10.964 71 HE3 LYS 9 2HE LYS 9 12.193 -3.992 -11.106 72 HZ1 LYS 9 3HZ LYS 9 11.479 -2.397 -12.533 73 HZ2 LYS 9 1HZ LYS 9 12.253 -1.134 -11.715 74 HZ3 LYS 9 2HZ LYS 9 10.807 -1.770 -11.112 75 H ARG 10 H ARG 10 16.052 -0.695 -6.553 76 HA ARG 10 HA ARG 10 18.170 0.426 -8.183 77 HB2 ARG 10 1HB ARG 10 17.887 0.658 -5.191 78 HB3 ARG 10 2HB ARG 10 18.743 1.736 -6.285 79 HG2 ARG 10 1HG ARG 10 15.758 1.351 -6.182 80 HG3 ARG 10 2HG ARG 10 16.651 2.711 -5.497 81 HD2 ARG 10 1HD ARG 10 17.500 3.221 -7.779 82 HD3 ARG 10 2HD ARG 10 16.451 1.950 -8.407 83 HE ARG 10 HE ARG 10 14.854 3.674 -6.929 84 HH11 ARG 10 1HH1 ARG 10 16.833 3.783 -9.790 85 HH12 ARG 10 2HH1 ARG 10 15.889 5.019 -10.554 86 HH21 ARG 10 1HH2 ARG 10 13.603 5.301 -7.924 87 HH22 ARG 10 2HH2 ARG 10 14.053 5.882 -9.491 88 H PHE 11 H PHE 11 17.993 -1.616 -5.264 89 HA PHE 11 HA PHE 11 20.709 -2.204 -5.075 90 HB2 PHE 11 1HB PHE 11 18.256 -3.725 -4.206 91 HB3 PHE 11 2HB PHE 11 19.883 -4.310 -3.873 92 HD1 PHE 11 HD1 PHE 11 17.638 -1.399 -3.363 93 HD2 PHE 11 HD2 PHE 11 21.049 -3.555 -2.009 94 HE1 PHE 11 HE1 PHE 11 17.724 0.010 -1.348 95 HE2 PHE 11 HE2 PHE 11 21.141 -2.150 0.009 96 HZ PHE 11 HZ PHE 11 19.476 -0.365 0.342 97 H ASP 12 H ASP 12 18.234 -3.536 -7.134 98 HA ASP 12 HA ASP 12 19.980 -5.690 -8.039 99 HB2 ASP 12 1HB ASP 12 17.653 -6.271 -7.692 100 HB3 ASP 12 2HB ASP 12 17.132 -4.974 -8.763 101 H THR 13 H THR 13 21.404 -3.740 -8.748 102 HA THR 13 HA THR 13 20.779 -2.176 -10.966 103 HB THR 13 HB THR 13 23.444 -3.244 -10.030 104 HG1 THR 13 HG1 THR 13 23.593 -1.297 -9.028 105 HG21 THR 13 3HG2 THR 13 22.867 -1.188 -12.166 106 HG22 THR 13 1HG2 THR 13 23.628 -2.761 -12.401 107 HG23 THR 13 2HG2 THR 13 24.457 -1.511 -11.474 108 H ASN 14 H ASN 14 21.479 -5.539 -10.756 109 HA ASN 14 HA ASN 14 22.236 -5.833 -13.527 110 HB2 ASN 14 1HB ASN 14 23.231 -7.405 -12.057 111 HB3 ASN 14 2HB ASN 14 21.689 -7.790 -11.299 112 HD21 ASN 14 2HD2 ASN 14 22.234 -7.452 -14.743 113 HD22 ASN 14 1HD2 ASN 14 21.943 -9.108 -15.143 114 H GLY 15 H GLY 15 19.338 -5.473 -11.855 115 HA2 GLY 15 1HA GLY 15 17.130 -5.836 -12.395 116 HA3 GLY 15 2HA GLY 15 17.673 -5.530 -14.038 117 H ASP 16 H ASP 16 18.418 -8.239 -11.870 118 HA ASP 16 HA ASP 16 17.204 -10.036 -13.867 119 HB2 ASP 16 1HB ASP 16 19.073 -11.274 -13.905 120 HB3 ASP 16 2HB ASP 16 19.856 -9.960 -13.032 121 H GLY 17 H GLY 17 17.102 -8.920 -10.682 122 HA2 GLY 17 1HA GLY 17 15.198 -9.497 -9.320 123 HA3 GLY 17 2HA GLY 17 15.285 -11.128 -9.968 124 H LYS 18 H LYS 18 18.291 -9.727 -9.162 125 HA LYS 18 HA LYS 18 18.292 -10.720 -6.434 126 HB2 LYS 18 1HB LYS 18 20.335 -11.813 -8.360 127 HB3 LYS 18 2HB LYS 18 20.012 -12.330 -6.711 128 HG2 LYS 18 1HG LYS 18 17.789 -13.140 -7.457 129 HG3 LYS 18 2HG LYS 18 18.245 -12.737 -9.113 130 HD2 LYS 18 1HD LYS 18 20.274 -14.329 -7.787 131 HD3 LYS 18 2HD LYS 18 18.707 -15.140 -7.802 132 HE2 LYS 18 1HE LYS 18 18.819 -14.210 -10.341 133 HE3 LYS 18 2HE LYS 18 20.530 -14.486 -10.021 134 HZ1 LYS 18 3HZ LYS 18 20.254 -16.694 -10.020 135 HZ2 LYS 18 1HZ LYS 18 18.819 -16.373 -10.856 136 HZ3 LYS 18 2HZ LYS 18 18.784 -16.632 -9.185 137 H ILE 19 H ILE 19 20.376 -10.259 -5.332 138 HA ILE 19 HA ILE 19 21.725 -7.933 -6.538 139 HB ILE 19 HB ILE 19 21.479 -8.252 -3.570 140 HG12 ILE 19 1HG1 ILE 19 19.188 -8.375 -4.313 141 HG13 ILE 19 2HG1 ILE 19 19.474 -6.759 -3.676 142 HG21 ILE 19 1HG2 ILE 19 22.401 -6.234 -5.464 143 HG22 ILE 19 2HG2 ILE 19 21.334 -5.593 -4.215 144 HG23 ILE 19 3HG2 ILE 19 22.802 -6.459 -3.762 145 HD11 ILE 19 3HD1 ILE 19 20.047 -6.665 -6.430 146 HD12 ILE 19 1HD1 ILE 19 18.525 -7.536 -6.242 147 HD13 ILE 19 2HD1 ILE 19 18.704 -5.917 -5.564 148 H SER 20 H SER 20 23.784 -8.332 -6.961 149 HA SER 20 HA SER 20 25.189 -10.383 -5.400 150 HB2 SER 20 1HB SER 20 26.682 -9.416 -7.676 151 HB3 SER 20 2HB SER 20 26.101 -11.046 -7.338 152 HG SER 20 HG SER 20 25.175 -9.286 -9.116 153 H LEU 21 H LEU 21 27.793 -9.709 -5.849 154 HA LEU 21 HA LEU 21 28.207 -7.657 -3.917 155 HB2 LEU 21 1HB LEU 21 30.379 -8.702 -5.684 156 HB3 LEU 21 2HB LEU 21 30.455 -8.220 -3.991 157 HG LEU 21 HG LEU 21 29.283 -10.763 -5.110 158 HD11 LEU 21 1HD1 LEU 21 31.192 -11.766 -4.536 159 HD12 LEU 21 2HD1 LEU 21 31.302 -10.890 -3.010 160 HD13 LEU 21 3HD1 LEU 21 31.883 -10.144 -4.499 161 HD21 LEU 21 3HD2 LEU 21 28.006 -10.910 -3.304 162 HD22 LEU 21 1HD2 LEU 21 28.596 -9.351 -2.728 163 HD23 LEU 21 2HD2 LEU 21 29.449 -10.831 -2.292 164 H SER 22 H SER 22 27.981 -7.711 -7.346 165 HA SER 22 HA SER 22 29.418 -5.230 -7.736 166 HB2 SER 22 1HB SER 22 28.901 -7.341 -9.381 167 HB3 SER 22 2HB SER 22 27.666 -6.197 -9.906 168 HG SER 22 HG SER 22 29.165 -4.921 -10.693 169 H GLU 23 H GLU 23 26.092 -6.317 -7.480 170 HA GLU 23 HA GLU 23 25.027 -3.712 -8.169 171 HB2 GLU 23 1HB GLU 23 23.533 -6.081 -7.042 172 HB3 GLU 23 2HB GLU 23 22.858 -4.704 -7.903 173 HG2 GLU 23 1HG GLU 23 23.740 -5.419 -9.958 174 HG3 GLU 23 2HG GLU 23 24.815 -6.581 -9.183 175 H LEU 24 H LEU 24 24.976 -5.815 -5.291 176 HA LEU 24 HA LEU 24 23.724 -4.142 -3.511 177 HB2 LEU 24 1HB LEU 24 24.657 -6.541 -3.230 178 HB3 LEU 24 2HB LEU 24 26.117 -5.731 -2.668 179 HG LEU 24 HG LEU 24 23.503 -5.065 -1.390 180 HD11 LEU 24 1HD1 LEU 24 25.006 -7.217 -0.096 181 HD12 LEU 24 2HD1 LEU 24 24.216 -7.683 -1.602 182 HD13 LEU 24 3HD1 LEU 24 23.266 -6.997 -0.285 183 HD21 LEU 24 3HD2 LEU 24 25.946 -4.074 -1.016 184 HD22 LEU 24 1HD2 LEU 24 26.048 -5.456 0.075 185 HD23 LEU 24 2HD2 LEU 24 24.783 -4.248 0.299 186 H THR 25 H THR 25 27.224 -4.312 -4.144 187 HA THR 25 HA THR 25 28.106 -2.373 -2.400 188 HB THR 25 HB THR 25 29.616 -3.772 -3.758 189 HG1 THR 25 HG1 THR 25 31.168 -2.214 -3.872 190 HG21 THR 25 3HG2 THR 25 28.197 -3.275 -5.891 191 HG22 THR 25 1HG2 THR 25 29.938 -3.516 -6.037 192 HG23 THR 25 2HG2 THR 25 29.269 -1.884 -6.053 193 H ASP 26 H ASP 26 26.701 -1.958 -5.612 194 HA ASP 26 HA ASP 26 27.201 0.747 -5.998 195 HB2 ASP 26 1HB ASP 26 25.674 -1.252 -7.261 196 HB3 ASP 26 2HB ASP 26 24.559 0.074 -6.938 197 H ALA 27 H ALA 27 24.977 -0.821 -3.859 198 HA ALA 27 HA ALA 27 23.420 1.576 -3.378 199 HB1 ALA 27 1HB ALA 27 23.000 -1.179 -3.022 200 HB2 ALA 27 2HB ALA 27 22.976 -0.458 -1.412 201 HB3 ALA 27 3HB ALA 27 21.887 0.141 -2.662 202 H LEU 28 H LEU 28 25.382 -0.574 -1.307 203 HA LEU 28 HA LEU 28 25.494 1.126 0.901 204 HB2 LEU 28 1HB LEU 28 27.698 -0.754 0.100 205 HB3 LEU 28 2HB LEU 28 27.238 -0.249 1.724 206 HG LEU 28 HG LEU 28 25.788 -2.157 -0.099 207 HD11 LEU 28 1HD1 LEU 28 26.071 -3.264 2.405 208 HD12 LEU 28 2HD1 LEU 28 27.587 -2.393 2.173 209 HD13 LEU 28 3HD1 LEU 28 27.078 -3.605 0.998 210 HD21 LEU 28 3HD2 LEU 28 24.008 -0.985 0.826 211 HD22 LEU 28 1HD2 LEU 28 24.849 -0.716 2.353 212 HD23 LEU 28 2HD2 LEU 28 24.235 -2.321 1.956 213 H ARG 29 H ARG 29 27.111 1.306 -2.117 214 HA ARG 29 HA ARG 29 29.223 3.040 -1.125 215 HB2 ARG 29 1HB ARG 29 30.167 2.919 -3.277 216 HB3 ARG 29 2HB ARG 29 29.508 1.315 -2.987 217 HG2 ARG 29 1HG ARG 29 28.721 1.625 -5.082 218 HG3 ARG 29 2HG ARG 29 27.402 2.396 -4.199 219 HD2 ARG 29 1HD ARG 29 27.791 4.173 -5.497 220 HD3 ARG 29 2HD ARG 29 29.212 4.438 -4.487 221 HE ARG 29 HE ARG 29 30.126 2.736 -6.367 222 HH11 ARG 29 1HH1 ARG 29 28.369 5.736 -6.542 223 HH12 ARG 29 2HH1 ARG 29 29.051 6.198 -8.066 224 HH21 ARG 29 1HH2 ARG 29 31.031 3.333 -8.374 225 HH22 ARG 29 2HH2 ARG 29 30.565 4.830 -9.108 226 H THR 30 H THR 30 26.082 3.283 -2.504 227 HA THR 30 HA THR 30 26.440 6.039 -3.356 228 HB THR 30 HB THR 30 24.019 4.231 -3.389 229 HG1 THR 30 HG1 THR 30 24.621 3.829 -5.392 230 HG21 THR 30 3HG2 THR 30 23.315 6.551 -3.080 231 HG22 THR 30 1HG2 THR 30 22.923 5.991 -4.705 232 HG23 THR 30 2HG2 THR 30 24.312 7.046 -4.447 233 H LEU 31 H LEU 31 25.105 4.240 -0.685 234 HA LEU 31 HA LEU 31 24.117 6.740 0.511 235 HB2 LEU 31 1HB LEU 31 23.486 4.086 1.689 236 HB3 LEU 31 2HB LEU 31 22.521 5.560 1.650 237 HG LEU 31 HG LEU 31 22.865 3.506 -0.522 238 HD11 LEU 31 1HD1 LEU 31 20.605 3.078 -0.253 239 HD12 LEU 31 2HD1 LEU 31 20.302 4.620 0.545 240 HD13 LEU 31 3HD1 LEU 31 21.150 3.335 1.405 241 HD21 LEU 31 3HD2 LEU 31 21.064 5.681 -1.152 242 HD22 LEU 31 1HD2 LEU 31 22.360 4.972 -2.116 243 HD23 LEU 31 2HD2 LEU 31 22.724 6.244 -0.950 244 H GLY 32 H GLY 32 26.480 4.261 0.763 245 HA2 GLY 32 1HA GLY 32 27.325 5.365 3.372 246 HA3 GLY 32 2HA GLY 32 27.471 3.659 2.978 247 H SER 33 H SER 33 28.233 4.450 0.160 248 HA SER 33 HA SER 33 30.113 4.882 -1.054 249 HB2 SER 33 1HB SER 33 30.049 7.005 0.504 250 HB3 SER 33 2HB SER 33 31.443 6.236 1.263 251 HG SER 33 HG SER 33 32.228 7.517 -0.355 252 H THR 34 H THR 34 29.802 2.525 0.621 253 HA THR 34 HA THR 34 32.483 1.917 1.568 254 HB THR 34 HB THR 34 30.264 1.160 2.683 255 HG1 THR 34 HG1 THR 34 32.616 0.357 2.926 256 HG21 THR 34 3HG2 THR 34 29.580 0.117 0.380 257 HG22 THR 34 1HG2 THR 34 29.173 -0.712 1.882 258 HG23 THR 34 2HG2 THR 34 30.559 -1.243 0.930 259 H SER 35 H SER 35 32.851 -0.685 1.001 260 HA SER 35 HA SER 35 32.861 -0.820 -1.942 261 HB2 SER 35 1HB SER 35 35.107 -0.280 -0.808 262 HB3 SER 35 2HB SER 35 35.076 -1.949 -0.239 263 HG SER 35 HG SER 35 36.151 -1.982 -2.157 264 H ALA 36 H ALA 36 33.760 -3.255 -2.446 265 HA ALA 36 HA ALA 36 31.592 -4.944 -1.780 266 HB1 ALA 36 1HB ALA 36 33.688 -6.560 -2.711 267 HB2 ALA 36 2HB ALA 36 32.334 -5.909 -3.635 268 HB3 ALA 36 3HB ALA 36 33.850 -5.014 -3.544 269 H ASP 37 H ASP 37 34.682 -4.383 -0.323 270 HA ASP 37 HA ASP 37 35.146 -6.750 1.035 271 HB2 ASP 37 1HB ASP 37 35.819 -3.891 1.535 272 HB3 ASP 37 2HB ASP 37 36.057 -5.031 2.857 273 H GLU 38 H GLU 38 32.717 -4.345 1.576 274 HA GLU 38 HA GLU 38 31.961 -5.627 4.112 275 HB2 GLU 38 1HB GLU 38 30.798 -3.048 3.107 276 HB3 GLU 38 2HB GLU 38 30.902 -3.640 4.759 277 HG2 GLU 38 1HG GLU 38 33.228 -2.729 3.081 278 HG3 GLU 38 2HG GLU 38 32.435 -1.784 4.340 279 H VAL 39 H VAL 39 31.125 -5.386 0.845 280 HA VAL 39 HA VAL 39 28.296 -5.698 1.079 281 HB VAL 39 HB VAL 39 30.197 -6.172 -1.213 282 HG11 VAL 39 1HG1 VAL 39 27.230 -6.590 -1.049 283 HG12 VAL 39 2HG1 VAL 39 28.033 -6.220 -2.576 284 HG13 VAL 39 3HG1 VAL 39 28.466 -7.677 -1.681 285 HG21 VAL 39 3HG2 VAL 39 29.818 -4.043 -1.796 286 HG22 VAL 39 1HG2 VAL 39 28.091 -4.166 -1.460 287 HG23 VAL 39 2HG2 VAL 39 29.224 -3.840 -0.148 288 H GLN 40 H GLN 40 30.793 -7.983 -0.060 289 HA GLN 40 HA GLN 40 29.241 -10.259 -0.129 290 HB2 GLN 40 1HB GLN 40 31.456 -11.470 0.367 291 HB3 GLN 40 2HB GLN 40 31.376 -10.453 -1.065 292 HG2 GLN 40 1HG GLN 40 32.762 -8.856 -0.181 293 HG3 GLN 40 2HG GLN 40 32.364 -9.278 1.483 294 HE21 GLN 40 2HE2 GLN 40 32.853 -11.899 1.639 295 HE22 GLN 40 1HE2 GLN 40 34.514 -12.242 1.313 296 H ARG 41 H ARG 41 30.508 -8.579 2.619 297 HA ARG 41 HA ARG 41 30.078 -10.785 4.443 298 HB2 ARG 41 1HB ARG 41 30.540 -7.954 5.314 299 HB3 ARG 41 2HB ARG 41 31.042 -9.449 6.092 300 HG2 ARG 41 1HG ARG 41 32.203 -8.250 3.587 301 HG3 ARG 41 2HG ARG 41 32.959 -8.314 5.180 302 HD2 ARG 41 1HD ARG 41 32.285 -10.947 4.647 303 HD3 ARG 41 2HD ARG 41 32.841 -10.327 3.093 304 HE ARG 41 HE ARG 41 34.961 -10.353 3.920 305 HH11 ARG 41 1HH1 ARG 41 32.737 -10.235 6.596 306 HH12 ARG 41 2HH1 ARG 41 33.976 -10.368 7.800 307 HH21 ARG 41 1HH2 ARG 41 36.601 -10.528 5.496 308 HH22 ARG 41 2HH2 ARG 41 36.173 -10.533 7.173 309 H MET 42 H MET 42 28.444 -7.850 3.443 310 HA MET 42 HA MET 42 26.479 -7.913 5.522 311 HB2 MET 42 1HB MET 42 26.965 -5.802 4.497 312 HB3 MET 42 2HB MET 42 26.620 -6.436 2.893 313 HG2 MET 42 1HG MET 42 24.418 -6.115 3.103 314 HG3 MET 42 2HG MET 42 24.396 -6.662 4.778 315 HE1 MET 42 3HE MET 42 26.577 -4.525 6.144 316 HE2 MET 42 1HE MET 42 25.280 -3.530 6.807 317 HE3 MET 42 2HE MET 42 25.110 -5.285 6.765 318 H MET 43 H MET 43 26.621 -9.009 2.166 319 HA MET 43 HA MET 43 23.885 -9.897 2.151 320 HB2 MET 43 1HB MET 43 24.522 -10.917 -0.047 321 HB3 MET 43 2HB MET 43 24.813 -9.186 0.062 322 HG2 MET 43 1HG MET 43 26.906 -9.518 -0.549 323 HG3 MET 43 2HG MET 43 27.171 -10.463 0.915 324 HE1 MET 43 3HE MET 43 24.665 -11.491 -1.967 325 HE2 MET 43 1HE MET 43 25.929 -10.573 -2.785 326 HE3 MET 43 2HE MET 43 25.768 -12.304 -3.077 327 H ALA 44 H ALA 44 27.003 -11.279 2.850 328 HA ALA 44 HA ALA 44 26.557 -13.981 2.545 329 HB1 ALA 44 1HB ALA 44 28.348 -12.320 4.146 330 HB2 ALA 44 2HB ALA 44 28.025 -13.903 4.852 331 HB3 ALA 44 3HB ALA 44 28.681 -13.783 3.219 332 H GLU 45 H GLU 45 25.321 -11.821 4.991 333 HA GLU 45 HA GLU 45 24.243 -14.042 6.549 334 HB2 GLU 45 1HB GLU 45 23.451 -12.194 8.073 335 HB3 GLU 45 2HB GLU 45 25.194 -12.331 7.896 336 HG2 GLU 45 1HG GLU 45 25.138 -10.495 6.250 337 HG3 GLU 45 2HG GLU 45 23.408 -10.326 6.539 338 H ILE 46 H ILE 46 23.155 -11.276 4.637 339 HA ILE 46 HA ILE 46 20.397 -11.573 5.084 340 HB ILE 46 HB ILE 46 21.835 -10.429 2.688 341 HG12 ILE 46 1HG1 ILE 46 20.561 -9.065 5.070 342 HG13 ILE 46 2HG1 ILE 46 22.291 -9.311 4.855 343 HG21 ILE 46 1HG2 ILE 46 19.696 -9.278 2.223 344 HG22 ILE 46 2HG2 ILE 46 19.588 -11.029 2.055 345 HG23 ILE 46 3HG2 ILE 46 18.936 -10.239 3.490 346 HD11 ILE 46 3HD1 ILE 46 20.499 -7.656 3.093 347 HD12 ILE 46 1HD1 ILE 46 21.662 -7.050 4.273 348 HD13 ILE 46 2HD1 ILE 46 22.225 -7.918 2.845 349 H ASP 47 H ASP 47 22.596 -13.157 2.869 350 HA ASP 47 HA ASP 47 20.709 -14.272 1.111 351 HB2 ASP 47 1HB ASP 47 23.436 -14.262 1.259 352 HB3 ASP 47 2HB ASP 47 23.074 -15.932 1.687 353 H THR 48 H THR 48 18.971 -15.270 1.980 354 HA THR 48 HA THR 48 19.164 -17.039 4.231 355 HB THR 48 HB THR 48 16.841 -16.652 2.334 356 HG1 THR 48 HG1 THR 48 16.171 -15.343 4.312 357 HG21 THR 48 3HG2 THR 48 15.863 -17.266 4.836 358 HG22 THR 48 1HG2 THR 48 17.272 -18.315 4.691 359 HG23 THR 48 2HG2 THR 48 15.994 -18.383 3.478 360 H ASP 49 H ASP 49 19.557 -17.371 0.859 361 HA ASP 49 HA ASP 49 19.255 -20.295 1.054 362 HB2 ASP 49 1HB ASP 49 18.023 -20.093 -0.805 363 HB3 ASP 49 2HB ASP 49 18.437 -18.388 -0.958 364 H GLY 50 H GLY 50 21.482 -17.756 0.728 365 HA2 GLY 50 1HA GLY 50 23.728 -17.676 0.243 366 HA3 GLY 50 2HA GLY 50 23.757 -19.291 0.934 367 H ASP 51 H ASP 51 23.292 -17.483 -2.062 368 HA ASP 51 HA ASP 51 24.412 -19.769 -3.520 369 HB2 ASP 51 1HB ASP 51 22.780 -19.647 -5.255 370 HB3 ASP 51 2HB ASP 51 21.892 -19.701 -3.735 371 H GLY 52 H GLY 52 25.124 -16.892 -2.587 372 HA2 GLY 52 1HA GLY 52 26.811 -15.508 -3.427 373 HA3 GLY 52 2HA GLY 52 26.602 -16.249 -5.006 374 H PHE 53 H PHE 53 23.597 -15.458 -3.869 375 HA PHE 53 HA PHE 53 23.659 -12.689 -4.780 376 HB2 PHE 53 1HB PHE 53 21.990 -14.844 -6.087 377 HB3 PHE 53 2HB PHE 53 21.721 -13.119 -6.318 378 HD1 PHE 53 HD2 PHE 53 24.076 -15.890 -6.904 379 HD2 PHE 53 HD1 PHE 53 23.083 -11.844 -7.777 380 HE1 PHE 53 HE2 PHE 53 25.724 -15.884 -8.730 381 HE2 PHE 53 HE1 PHE 53 24.730 -11.832 -9.606 382 HZ PHE 53 HZ PHE 53 26.053 -13.853 -10.084 383 H ILE 54 H ILE 54 21.800 -11.474 -4.185 384 HA ILE 54 HA ILE 54 20.301 -12.699 -1.970 385 HB ILE 54 HB ILE 54 20.973 -9.814 -2.536 386 HG12 ILE 54 1HG1 ILE 54 22.753 -11.160 -1.497 387 HG13 ILE 54 2HG1 ILE 54 22.138 -9.942 -0.385 388 HG21 ILE 54 1HG2 ILE 54 19.793 -9.910 -0.042 389 HG22 ILE 54 2HG2 ILE 54 19.063 -9.283 -1.519 390 HG23 ILE 54 3HG2 ILE 54 18.768 -10.951 -1.029 391 HD11 ILE 54 3HD1 ILE 54 21.978 -11.592 1.088 392 HD12 ILE 54 1HD1 ILE 54 20.579 -12.137 0.163 393 HD13 ILE 54 2HD1 ILE 54 22.170 -12.829 -0.153 394 H ASP 55 H ASP 55 18.423 -13.460 -2.735 395 HA ASP 55 HA ASP 55 17.018 -12.390 -4.939 396 HB2 ASP 55 1HB ASP 55 15.778 -14.047 -2.746 397 HB3 ASP 55 2HB ASP 55 15.320 -13.973 -4.445 398 H PHE 56 H PHE 56 14.421 -12.108 -4.304 399 HA PHE 56 HA PHE 56 14.394 -9.515 -3.029 400 HB2 PHE 56 1HB PHE 56 13.106 -10.144 -5.144 401 HB3 PHE 56 2HB PHE 56 12.001 -11.016 -4.086 402 HD1 PHE 56 HD1 PHE 56 11.122 -9.583 -2.036 403 HD2 PHE 56 HD2 PHE 56 12.586 -7.983 -5.698 404 HE1 PHE 56 HE1 PHE 56 9.875 -7.503 -1.622 405 HE2 PHE 56 HE2 PHE 56 11.342 -5.900 -5.289 406 HZ PHE 56 HZ PHE 56 9.985 -5.657 -3.249 407 H ASN 57 H ASN 57 13.109 -12.741 -2.411 408 HA ASN 57 HA ASN 57 11.481 -12.135 -0.220 409 HB2 ASN 57 1HB ASN 57 12.667 -14.541 -1.397 410 HB3 ASN 57 2HB ASN 57 12.439 -14.657 0.345 411 HD21 ASN 57 2HD2 ASN 57 10.646 -13.345 -2.427 412 HD22 ASN 57 1HD2 ASN 57 9.133 -14.063 -2.001 413 H GLU 58 H GLU 58 14.717 -13.636 -0.070 414 HA GLU 58 HA GLU 58 15.127 -13.346 2.647 415 HB2 GLU 58 1HB GLU 58 17.586 -13.386 2.068 416 HB3 GLU 58 2HB GLU 58 16.630 -14.710 1.417 417 HG2 GLU 58 1HG GLU 58 16.458 -13.106 -0.666 418 HG3 GLU 58 2HG GLU 58 17.943 -12.447 0.017 419 H PHE 59 H PHE 59 15.542 -11.004 0.076 420 HA PHE 59 HA PHE 59 17.091 -9.081 1.299 421 HB2 PHE 59 1HB PHE 59 16.070 -9.124 -1.074 422 HB3 PHE 59 2HB PHE 59 14.680 -8.333 -0.337 423 HD1 PHE 59 HD1 PHE 59 18.395 -7.969 -0.182 424 HD2 PHE 59 HD2 PHE 59 14.614 -6.070 -0.643 425 HE1 PHE 59 HE1 PHE 59 19.520 -5.792 -0.410 426 HE2 PHE 59 HE2 PHE 59 15.732 -3.891 -0.873 427 HZ PHE 59 HZ PHE 59 18.188 -3.750 -0.757 428 H ILE 60 H ILE 60 13.605 -9.610 1.608 429 HA ILE 60 HA ILE 60 13.282 -7.397 3.430 430 HB ILE 60 HB ILE 60 11.244 -9.563 3.036 431 HG12 ILE 60 1HG1 ILE 60 11.852 -7.275 1.153 432 HG13 ILE 60 2HG1 ILE 60 11.981 -8.993 0.793 433 HG21 ILE 60 1HG2 ILE 60 10.974 -7.695 4.714 434 HG22 ILE 60 2HG2 ILE 60 10.871 -6.594 3.341 435 HG23 ILE 60 3HG2 ILE 60 9.670 -7.870 3.540 436 HD11 ILE 60 3HD1 ILE 60 9.905 -8.947 0.047 437 HD12 ILE 60 1HD1 ILE 60 9.351 -8.557 1.675 438 HD13 ILE 60 2HD1 ILE 60 9.732 -7.262 0.539 439 H SER 61 H SER 61 13.742 -10.852 3.631 440 HA SER 61 HA SER 61 12.865 -11.394 6.196 441 HB2 SER 61 1HB SER 61 13.581 -13.213 4.829 442 HB3 SER 61 2HB SER 61 15.192 -12.523 4.635 443 HG SER 61 HG SER 61 14.118 -13.975 6.734 444 H PHE 62 H PHE 62 16.036 -10.172 5.168 445 HA PHE 62 HA PHE 62 16.892 -9.865 7.924 446 HB2 PHE 62 1HB PHE 62 18.199 -10.178 5.432 447 HB3 PHE 62 2HB PHE 62 18.669 -8.602 6.059 448 HD1 PHE 62 HD1 PHE 62 18.136 -12.029 7.448 449 HD2 PHE 62 HD2 PHE 62 20.633 -8.589 7.227 450 HE1 PHE 62 HE1 PHE 62 19.759 -13.115 8.944 451 HE2 PHE 62 HE2 PHE 62 22.260 -9.669 8.723 452 HZ PHE 62 HZ PHE 62 21.825 -11.936 9.583 453 H CYS 63 H CYS 63 16.290 -7.761 5.122 454 HA CYS 63 HA CYS 63 16.842 -5.308 6.234 455 HB2 CYS 63 1HB CYS 63 16.315 -5.452 3.906 456 HB3 CYS 63 2HB CYS 63 14.712 -6.093 4.245 457 HG CYS 63 HG CYS 63 15.584 -2.958 5.262 458 H ASN 64 H ASN 64 13.945 -7.274 6.600 459 HA ASN 64 HA ASN 64 12.259 -5.424 7.807 460 HB2 ASN 64 1HB ASN 64 11.507 -7.644 7.093 461 HB3 ASN 64 2HB ASN 64 12.479 -8.392 8.357 462 HD21 ASN 64 2HD2 ASN 64 10.417 -5.521 8.441 463 HD22 ASN 64 1HD2 ASN 64 9.357 -6.105 9.674 464 H ALA 65 H ALA 65 14.908 -7.288 9.149 465 HA ALA 65 HA ALA 65 14.346 -6.742 11.882 466 HB1 ALA 65 1HB ALA 65 16.303 -8.196 10.397 467 HB2 ALA 65 2HB ALA 65 17.118 -7.169 11.577 468 HB3 ALA 65 3HB ALA 65 15.890 -8.318 12.107 469 H ASN 66 H ASN 66 15.654 -4.865 9.351 470 HA ASN 66 HA ASN 66 16.770 -2.938 11.279 471 HB2 ASN 66 1HB ASN 66 17.428 -3.484 8.388 472 HB3 ASN 66 2HB ASN 66 17.912 -1.990 9.185 473 HD21 ASN 66 2HD2 ASN 66 17.878 -5.437 10.040 474 HD22 ASN 66 1HD2 ASN 66 19.521 -5.493 10.572 475 HA PRO 67 HA PRO 67 12.873 -1.012 9.719 476 HB2 PRO 67 1HB PRO 67 12.210 0.096 12.107 477 HB3 PRO 67 2HB PRO 67 11.786 -1.563 11.666 478 HG2 PRO 67 1HG PRO 67 14.045 -0.573 13.362 479 HG3 PRO 67 2HG PRO 67 12.967 -1.955 13.631 480 HD2 PRO 67 1HD PRO 67 15.473 -2.232 12.643 481 HD3 PRO 67 2HD PRO 67 14.141 -3.312 12.184 482 H GLY 68 H GLY 68 15.660 0.160 11.461 483 HA2 GLY 68 1HA GLY 68 15.042 2.950 11.063 484 HA3 GLY 68 2HA GLY 68 16.543 2.291 11.700 485 H LEU 69 H LEU 69 16.542 0.483 9.209 486 HA LEU 69 HA LEU 69 18.021 2.371 7.557 487 HB2 LEU 69 1HB LEU 69 19.014 0.199 8.164 488 HB3 LEU 69 2HB LEU 69 17.715 -0.617 7.296 489 HG LEU 69 HG LEU 69 19.598 1.282 5.925 490 HD11 LEU 69 1HD1 LEU 69 20.094 -1.443 6.887 491 HD12 LEU 69 2HD1 LEU 69 21.228 -0.180 6.411 492 HD13 LEU 69 3HD1 LEU 69 20.456 -1.181 5.181 493 HD21 LEU 69 3HD2 LEU 69 18.811 -0.704 4.191 494 HD22 LEU 69 1HD2 LEU 69 18.123 0.917 4.292 495 HD23 LEU 69 2HD2 LEU 69 17.364 -0.419 5.159 496 H MET 70 H MET 70 15.416 -0.024 7.162 497 HA MET 70 HA MET 70 14.833 0.385 4.495 498 HB2 MET 70 1HB MET 70 12.512 -0.345 5.077 499 HB3 MET 70 2HB MET 70 13.775 -1.401 5.695 500 HG2 MET 70 1HG MET 70 13.519 -0.563 7.897 501 HG3 MET 70 2HG MET 70 12.478 0.747 7.344 502 HE1 MET 70 3HE MET 70 12.656 -2.813 6.177 503 HE2 MET 70 1HE MET 70 12.453 -3.374 7.837 504 HE3 MET 70 2HE MET 70 11.140 -3.566 6.675 505 H LYS 71 H LYS 71 14.244 2.460 7.192 506 HA LYS 71 HA LYS 71 12.257 4.074 5.868 507 HB2 LYS 71 1HB LYS 71 13.783 4.332 8.450 508 HB3 LYS 71 2HB LYS 71 12.761 5.633 7.854 509 HG2 LYS 71 1HG LYS 71 10.871 3.980 7.788 510 HG3 LYS 71 2HG LYS 71 11.930 2.853 8.639 511 HD2 LYS 71 1HD LYS 71 11.649 5.576 9.778 512 HD3 LYS 71 2HD LYS 71 10.258 4.498 9.911 513 HE2 LYS 71 1HE LYS 71 11.701 2.799 10.952 514 HE3 LYS 71 2HE LYS 71 13.063 3.913 10.854 515 HZ1 LYS 71 3HZ LYS 71 11.370 3.690 12.952 516 HZ2 LYS 71 1HZ LYS 71 10.755 5.041 12.141 517 HZ3 LYS 71 2HZ LYS 71 12.370 5.019 12.644 518 H ASP 72 H ASP 72 15.722 4.099 6.285 519 HA ASP 72 HA ASP 72 16.010 6.784 5.239 520 HB2 ASP 72 1HB ASP 72 17.650 4.950 6.701 521 HB3 ASP 72 2HB ASP 72 18.502 5.424 5.233 522 H VAL 73 H VAL 73 16.517 3.466 4.146 523 HA VAL 73 HA VAL 73 17.684 4.141 1.648 524 HB VAL 73 HB VAL 73 17.979 1.919 2.575 525 HG11 VAL 73 1HG1 VAL 73 15.238 1.028 1.939 526 HG12 VAL 73 2HG1 VAL 73 16.323 0.530 3.239 527 HG13 VAL 73 3HG1 VAL 73 15.416 2.037 3.374 528 HG21 VAL 73 3HG2 VAL 73 18.155 2.102 0.179 529 HG22 VAL 73 1HG2 VAL 73 17.372 0.574 0.581 530 HG23 VAL 73 2HG2 VAL 73 16.409 1.932 -0.001 531 H ALA 74 H ALA 74 14.374 3.586 2.717 532 HA ALA 74 HA ALA 74 13.255 3.685 0.080 533 HB1 ALA 74 1HB ALA 74 11.680 4.169 2.580 534 HB2 ALA 74 2HB ALA 74 11.185 3.375 1.085 535 HB3 ALA 74 3HB ALA 74 12.290 2.560 2.192 536 H LYS 75 H LYS 75 14.749 6.011 1.734 537 HA LYS 75 HA LYS 75 12.835 8.152 1.219 538 HB2 LYS 75 1HB LYS 75 13.979 9.393 2.735 539 HB3 LYS 75 2HB LYS 75 14.557 7.817 3.261 540 HG2 LYS 75 1HG LYS 75 16.494 8.181 1.641 541 HG3 LYS 75 2HG LYS 75 15.970 9.865 1.589 542 HD2 LYS 75 1HD LYS 75 16.459 8.478 4.203 543 HD3 LYS 75 2HD LYS 75 17.791 9.188 3.287 544 HE2 LYS 75 1HE LYS 75 17.250 10.994 4.554 545 HE3 LYS 75 2HE LYS 75 16.118 11.257 3.228 546 HZ1 LYS 75 3HZ LYS 75 14.770 9.614 4.930 547 HZ2 LYS 75 1HZ LYS 75 14.558 11.286 4.792 548 HZ3 LYS 75 2HZ LYS 75 15.591 10.661 5.976 549 H VAL 76 H VAL 76 15.804 6.821 -0.033 550 HA VAL 76 HA VAL 76 15.724 8.815 -2.200 551 HB VAL 76 HB VAL 76 17.655 9.226 -0.709 552 HG11 VAL 76 1HG1 VAL 76 19.105 6.842 -1.635 553 HG12 VAL 76 2HG1 VAL 76 19.128 7.650 -0.066 554 HG13 VAL 76 3HG1 VAL 76 17.821 6.535 -0.467 555 HG21 VAL 76 3HG2 VAL 76 19.303 8.486 -2.846 556 HG22 VAL 76 1HG2 VAL 76 17.714 8.788 -3.551 557 HG23 VAL 76 2HG2 VAL 76 18.507 10.040 -2.595 558 H PHE 77 H PHE 77 16.358 5.515 -1.210 559 HA PHE 77 HA PHE 77 16.711 4.694 -3.998 560 HB2 PHE 77 1HB PHE 77 17.433 3.540 -1.364 561 HB3 PHE 77 2HB PHE 77 16.997 2.393 -2.627 562 HD1 PHE 77 HD2 PHE 77 18.699 5.628 -3.148 563 HD2 PHE 77 HD1 PHE 77 19.097 1.393 -2.988 564 HE1 PHE 77 HE2 PHE 77 20.965 5.809 -4.088 565 HE2 PHE 77 HE1 PHE 77 21.364 1.567 -3.927 566 HZ PHE 77 HZ PHE 77 22.301 3.777 -4.480 Start of MODEL 7 1 H1 ALA 1 H ALA 1 2.975 -1.875 1.930 2 HA ALA 1 HA ALA 1 2.034 0.417 0.337 3 HB1 ALA 1 1HB ALA 1 4.359 0.106 2.208 4 HB2 ALA 1 2HB ALA 1 4.293 1.406 1.018 5 HB3 ALA 1 3HB ALA 1 3.046 1.283 2.259 6 H ASP 2 H ASP 2 4.277 -2.259 0.468 7 HA ASP 2 HA ASP 2 5.576 -3.250 -1.114 8 HB2 ASP 2 1HB ASP 2 4.197 -1.562 -3.194 9 HB3 ASP 2 2HB ASP 2 4.883 -3.174 -3.374 10 H ASP 3 H ASP 3 6.765 -1.200 0.205 11 HA ASP 3 HA ASP 3 7.934 0.694 -1.616 12 HB2 ASP 3 1HB ASP 3 9.371 1.271 0.372 13 HB3 ASP 3 2HB ASP 3 7.636 1.415 0.645 14 H MET 4 H MET 4 8.929 -2.313 -0.065 15 HA MET 4 HA MET 4 11.634 -2.286 -0.749 16 HB2 MET 4 1HB MET 4 9.766 -4.649 -0.486 17 HB3 MET 4 2HB MET 4 11.521 -4.752 -0.526 18 HG2 MET 4 1HG MET 4 9.991 -3.199 1.543 19 HG3 MET 4 2HG MET 4 10.493 -4.876 1.746 20 HE1 MET 4 3HE MET 4 13.194 -5.514 2.471 21 HE2 MET 4 1HE MET 4 12.982 -5.382 0.725 22 HE3 MET 4 2HE MET 4 14.357 -4.604 1.507 23 H GLU 5 H GLU 5 8.833 -2.796 -2.697 24 HA GLU 5 HA GLU 5 10.004 -4.270 -4.802 25 HB2 GLU 5 1HB GLU 5 7.615 -4.175 -4.635 26 HB3 GLU 5 2HB GLU 5 7.622 -2.419 -4.724 27 HG2 GLU 5 1HG GLU 5 8.218 -2.441 -7.009 28 HG3 GLU 5 2HG GLU 5 8.596 -4.162 -6.965 29 H ARG 6 H ARG 6 9.129 -0.809 -4.743 30 HA ARG 6 HA ARG 6 10.483 -0.097 -7.069 31 HB2 ARG 6 1HB ARG 6 10.489 2.233 -6.043 32 HB3 ARG 6 2HB ARG 6 8.922 1.452 -6.209 33 HG2 ARG 6 1HG ARG 6 8.885 0.902 -3.873 34 HG3 ARG 6 2HG ARG 6 10.533 1.499 -3.668 35 HD2 ARG 6 1HD ARG 6 9.237 3.262 -2.891 36 HD3 ARG 6 2HD ARG 6 9.593 3.732 -4.553 37 HE ARG 6 HE ARG 6 7.193 2.334 -4.588 38 HH11 ARG 6 1HH1 ARG 6 8.462 5.287 -3.250 39 HH12 ARG 6 2HH1 ARG 6 6.939 6.111 -3.286 40 HH21 ARG 6 1HH2 ARG 6 5.182 3.409 -4.642 41 HH22 ARG 6 2HH2 ARG 6 5.074 5.042 -4.077 42 H ILE 7 H ILE 7 11.603 -0.162 -3.714 43 HA ILE 7 HA ILE 7 14.141 0.986 -4.209 44 HB ILE 7 HB ILE 7 13.263 -0.848 -1.976 45 HG12 ILE 7 1HG1 ILE 7 13.714 2.095 -1.690 46 HG13 ILE 7 2HG1 ILE 7 12.213 1.534 -2.419 47 HG21 ILE 7 1HG2 ILE 7 15.837 0.449 -2.596 48 HG22 ILE 7 2HG2 ILE 7 15.283 0.586 -0.928 49 HG23 ILE 7 3HG2 ILE 7 15.492 -1.005 -1.659 50 HD11 ILE 7 3HD1 ILE 7 13.108 1.450 0.367 51 HD12 ILE 7 1HD1 ILE 7 11.481 1.525 -0.307 52 HD13 ILE 7 2HD1 ILE 7 12.325 -0.021 -0.209 53 H PHE 8 H PHE 8 12.946 -2.325 -4.238 54 HA PHE 8 HA PHE 8 15.383 -3.680 -4.339 55 HB2 PHE 8 1HB PHE 8 13.397 -4.948 -3.986 56 HB3 PHE 8 2HB PHE 8 12.671 -4.355 -5.476 57 HD1 PHE 8 HD1 PHE 8 15.145 -6.646 -4.039 58 HD2 PHE 8 HD2 PHE 8 13.224 -5.321 -7.598 59 HE1 PHE 8 HE1 PHE 8 16.016 -8.611 -5.236 60 HE2 PHE 8 HE2 PHE 8 14.090 -7.284 -8.801 61 HZ PHE 8 HZ PHE 8 15.487 -8.933 -7.620 62 H LYS 9 H LYS 9 13.655 -1.911 -6.785 63 HA LYS 9 HA LYS 9 14.929 -2.975 -9.066 64 HB2 LYS 9 1HB LYS 9 13.935 -0.141 -8.807 65 HB3 LYS 9 2HB LYS 9 14.023 -1.128 -10.259 66 HG2 LYS 9 1HG LYS 9 12.150 -1.493 -7.932 67 HG3 LYS 9 2HG LYS 9 11.738 -0.959 -9.564 68 HD2 LYS 9 1HD LYS 9 12.860 -3.664 -8.832 69 HD3 LYS 9 2HD LYS 9 11.168 -3.320 -9.198 70 HE2 LYS 9 1HE LYS 9 13.509 -2.990 -11.072 71 HE3 LYS 9 2HE LYS 9 12.293 -4.264 -11.137 72 HZ1 LYS 9 3HZ LYS 9 11.790 -2.555 -12.737 73 HZ2 LYS 9 1HZ LYS 9 11.813 -1.361 -11.538 74 HZ3 LYS 9 2HZ LYS 9 10.608 -2.547 -11.526 75 H ARG 10 H ARG 10 15.964 -0.742 -6.647 76 HA ARG 10 HA ARG 10 18.094 0.383 -8.246 77 HB2 ARG 10 1HB ARG 10 17.727 0.600 -5.258 78 HB3 ARG 10 2HB ARG 10 18.662 1.661 -6.302 79 HG2 ARG 10 1HG ARG 10 15.666 1.360 -6.300 80 HG3 ARG 10 2HG ARG 10 16.585 2.715 -5.641 81 HD2 ARG 10 1HD ARG 10 17.532 2.529 -8.211 82 HD3 ARG 10 2HD ARG 10 15.827 2.120 -8.396 83 HE ARG 10 HE ARG 10 15.313 4.306 -7.998 84 HH11 ARG 10 1HH1 ARG 10 18.525 3.680 -6.809 85 HH12 ARG 10 2HH1 ARG 10 18.844 5.337 -6.416 86 HH21 ARG 10 1HH2 ARG 10 15.721 6.491 -7.484 87 HH22 ARG 10 2HH2 ARG 10 17.248 6.935 -6.799 88 H PHE 11 H PHE 11 17.927 -1.661 -5.328 89 HA PHE 11 HA PHE 11 20.651 -2.216 -5.130 90 HB2 PHE 11 1HB PHE 11 18.208 -3.744 -4.254 91 HB3 PHE 11 2HB PHE 11 19.834 -4.338 -3.934 92 HD1 PHE 11 HD1 PHE 11 17.645 -1.378 -3.428 93 HD2 PHE 11 HD2 PHE 11 20.980 -3.634 -2.047 94 HE1 PHE 11 HE1 PHE 11 17.753 0.024 -1.408 95 HE2 PHE 11 HE2 PHE 11 21.092 -2.236 -0.025 96 HZ PHE 11 HZ PHE 11 19.477 -0.405 0.297 97 H ASP 12 H ASP 12 18.193 -3.589 -7.185 98 HA ASP 12 HA ASP 12 19.960 -5.729 -8.076 99 HB2 ASP 12 1HB ASP 12 17.622 -6.303 -7.740 100 HB3 ASP 12 2HB ASP 12 17.119 -5.029 -8.846 101 H THR 13 H THR 13 21.371 -3.756 -8.772 102 HA THR 13 HA THR 13 20.754 -2.216 -11.008 103 HB THR 13 HB THR 13 23.420 -3.235 -10.025 104 HG1 THR 13 HG1 THR 13 22.076 -1.634 -8.812 105 HG21 THR 13 3HG2 THR 13 22.844 -1.209 -12.189 106 HG22 THR 13 1HG2 THR 13 23.636 -2.771 -12.397 107 HG23 THR 13 2HG2 THR 13 24.428 -1.497 -11.468 108 H ASN 14 H ASN 14 21.491 -5.566 -10.766 109 HA ASN 14 HA ASN 14 22.296 -5.867 -13.523 110 HB2 ASN 14 1HB ASN 14 23.295 -7.415 -12.031 111 HB3 ASN 14 2HB ASN 14 21.750 -7.816 -11.288 112 HD21 ASN 14 2HD2 ASN 14 22.332 -7.499 -14.728 113 HD22 ASN 14 1HD2 ASN 14 22.068 -9.162 -15.117 114 H GLY 15 H GLY 15 19.368 -5.553 -11.887 115 HA2 GLY 15 1HA GLY 15 17.175 -5.966 -12.450 116 HA3 GLY 15 2HA GLY 15 17.729 -5.633 -14.084 117 H ASP 16 H ASP 16 18.480 -8.344 -11.917 118 HA ASP 16 HA ASP 16 17.344 -10.149 -13.953 119 HB2 ASP 16 1HB ASP 16 19.228 -11.368 -13.954 120 HB3 ASP 16 2HB ASP 16 19.978 -10.029 -13.089 121 H GLY 17 H GLY 17 17.151 -9.054 -10.768 122 HA2 GLY 17 1HA GLY 17 15.226 -9.684 -9.455 123 HA3 GLY 17 2HA GLY 17 15.381 -11.313 -10.096 124 H LYS 18 H LYS 18 18.336 -9.855 -9.244 125 HA LYS 18 HA LYS 18 18.303 -10.781 -6.497 126 HB2 LYS 18 1HB LYS 18 20.357 -11.946 -8.369 127 HB3 LYS 18 2HB LYS 18 20.024 -12.404 -6.704 128 HG2 LYS 18 1HG LYS 18 17.839 -13.280 -7.396 129 HG3 LYS 18 2HG LYS 18 18.212 -12.853 -9.068 130 HD2 LYS 18 1HD LYS 18 20.313 -14.430 -7.817 131 HD3 LYS 18 2HD LYS 18 18.758 -15.264 -7.837 132 HE2 LYS 18 1HE LYS 18 18.870 -14.216 -10.354 133 HE3 LYS 18 2HE LYS 18 20.565 -14.582 -10.041 134 HZ1 LYS 18 3HZ LYS 18 18.530 -16.351 -10.755 135 HZ2 LYS 18 1HZ LYS 18 19.000 -16.745 -9.178 136 HZ3 LYS 18 2HZ LYS 18 20.149 -16.708 -10.419 137 H ILE 19 H ILE 19 20.306 -10.236 -5.348 138 HA ILE 19 HA ILE 19 21.685 -7.956 -6.609 139 HB ILE 19 HB ILE 19 21.479 -8.241 -3.637 140 HG12 ILE 19 1HG1 ILE 19 19.178 -8.422 -4.337 141 HG13 ILE 19 2HG1 ILE 19 19.441 -6.792 -3.726 142 HG21 ILE 19 1HG2 ILE 19 22.169 -6.145 -5.605 143 HG22 ILE 19 2HG2 ILE 19 21.323 -5.622 -4.150 144 HG23 ILE 19 3HG2 ILE 19 22.856 -6.483 -4.016 145 HD11 ILE 19 3HD1 ILE 19 19.962 -6.728 -6.493 146 HD12 ILE 19 1HD1 ILE 19 18.459 -7.621 -6.262 147 HD13 ILE 19 2HD1 ILE 19 18.625 -5.989 -5.613 148 H SER 20 H SER 20 23.764 -8.288 -6.993 149 HA SER 20 HA SER 20 25.179 -10.353 -5.455 150 HB2 SER 20 1HB SER 20 24.998 -10.061 -8.159 151 HB3 SER 20 2HB SER 20 26.505 -9.208 -7.829 152 HG SER 20 HG SER 20 27.421 -11.065 -7.538 153 H LEU 21 H LEU 21 27.778 -9.647 -5.889 154 HA LEU 21 HA LEU 21 28.166 -7.615 -3.932 155 HB2 LEU 21 1HB LEU 21 30.344 -8.621 -5.717 156 HB3 LEU 21 2HB LEU 21 30.427 -8.141 -4.023 157 HG LEU 21 HG LEU 21 29.298 -10.698 -5.149 158 HD11 LEU 21 1HD1 LEU 21 31.213 -11.671 -4.541 159 HD12 LEU 21 2HD1 LEU 21 31.287 -10.786 -3.018 160 HD13 LEU 21 3HD1 LEU 21 31.876 -10.037 -4.502 161 HD21 LEU 21 3HD2 LEU 21 27.972 -10.829 -3.374 162 HD22 LEU 21 1HD2 LEU 21 28.587 -9.298 -2.751 163 HD23 LEU 21 2HD2 LEU 21 29.405 -10.807 -2.345 164 H SER 22 H SER 22 28.020 -7.649 -7.381 165 HA SER 22 HA SER 22 29.398 -5.136 -7.724 166 HB2 SER 22 1HB SER 22 28.918 -7.234 -9.398 167 HB3 SER 22 2HB SER 22 27.675 -6.096 -9.918 168 HG SER 22 HG SER 22 30.162 -6.068 -10.628 169 H GLU 23 H GLU 23 26.088 -6.267 -7.483 170 HA GLU 23 HA GLU 23 24.987 -3.676 -8.163 171 HB2 GLU 23 1HB GLU 23 23.512 -6.052 -7.030 172 HB3 GLU 23 2HB GLU 23 22.837 -4.696 -7.923 173 HG2 GLU 23 1HG GLU 23 23.745 -5.440 -9.955 174 HG3 GLU 23 2HG GLU 23 24.828 -6.573 -9.148 175 H LEU 24 H LEU 24 24.915 -5.793 -5.293 176 HA LEU 24 HA LEU 24 23.661 -4.125 -3.514 177 HB2 LEU 24 1HB LEU 24 24.601 -6.528 -3.243 178 HB3 LEU 24 2HB LEU 24 26.048 -5.712 -2.653 179 HG LEU 24 HG LEU 24 23.409 -5.073 -1.412 180 HD11 LEU 24 1HD1 LEU 24 24.921 -7.226 -0.121 181 HD12 LEU 24 2HD1 LEU 24 24.131 -7.682 -1.630 182 HD13 LEU 24 3HD1 LEU 24 23.180 -7.009 -0.306 183 HD21 LEU 24 3HD2 LEU 24 25.827 -4.054 -0.993 184 HD22 LEU 24 1HD2 LEU 24 25.944 -5.449 0.080 185 HD23 LEU 24 2HD2 LEU 24 24.656 -4.266 0.309 186 H THR 25 H THR 25 27.164 -4.292 -4.132 187 HA THR 25 HA THR 25 28.032 -2.357 -2.372 188 HB THR 25 HB THR 25 29.530 -3.781 -3.751 189 HG1 THR 25 HG1 THR 25 29.988 -0.970 -3.931 190 HG21 THR 25 3HG2 THR 25 28.155 -3.116 -5.891 191 HG22 THR 25 1HG2 THR 25 29.877 -3.474 -6.008 192 HG23 THR 25 2HG2 THR 25 29.325 -1.799 -5.974 193 H ASP 26 H ASP 26 26.634 -1.946 -5.584 194 HA ASP 26 HA ASP 26 27.152 0.759 -5.975 195 HB2 ASP 26 1HB ASP 26 25.651 -1.234 -7.261 196 HB3 ASP 26 2HB ASP 26 24.511 0.067 -6.927 197 H ALA 27 H ALA 27 24.904 -0.803 -3.855 198 HA ALA 27 HA ALA 27 23.352 1.600 -3.387 199 HB1 ALA 27 1HB ALA 27 22.919 -1.155 -3.035 200 HB2 ALA 27 2HB ALA 27 22.878 -0.432 -1.427 201 HB3 ALA 27 3HB ALA 27 21.806 0.169 -2.691 202 H LEU 28 H LEU 28 25.311 -0.555 -1.319 203 HA LEU 28 HA LEU 28 25.401 1.135 0.902 204 HB2 LEU 28 1HB LEU 28 27.611 -0.741 0.108 205 HB3 LEU 28 2HB LEU 28 27.140 -0.243 1.731 206 HG LEU 28 HG LEU 28 25.705 -2.146 -0.108 207 HD11 LEU 28 1HD1 LEU 28 25.969 -3.248 2.405 208 HD12 LEU 28 2HD1 LEU 28 27.490 -2.387 2.171 209 HD13 LEU 28 3HD1 LEU 28 26.975 -3.601 1.000 210 HD21 LEU 28 3HD2 LEU 28 23.903 -1.010 0.795 211 HD22 LEU 28 1HD2 LEU 28 24.738 -0.681 2.314 212 HD23 LEU 28 2HD2 LEU 28 24.151 -2.307 1.965 213 H ARG 29 H ARG 29 27.037 1.327 -2.105 214 HA ARG 29 HA ARG 29 29.141 3.059 -1.091 215 HB2 ARG 29 1HB ARG 29 30.100 2.948 -3.239 216 HB3 ARG 29 2HB ARG 29 29.447 1.341 -2.954 217 HG2 ARG 29 1HG ARG 29 28.665 1.643 -5.050 218 HG3 ARG 29 2HG ARG 29 27.343 2.421 -4.178 219 HD2 ARG 29 1HD ARG 29 27.789 4.380 -5.130 220 HD3 ARG 29 2HD ARG 29 29.479 4.289 -4.638 221 HE ARG 29 HE ARG 29 28.416 3.753 -7.231 222 HH11 ARG 29 1HH1 ARG 29 30.954 2.902 -5.004 223 HH12 ARG 29 2HH1 ARG 29 32.055 2.406 -6.246 224 HH21 ARG 29 1HH2 ARG 29 29.858 3.103 -8.875 225 HH22 ARG 29 2HH2 ARG 29 31.432 2.522 -8.447 226 H THR 30 H THR 30 26.011 3.304 -2.494 227 HA THR 30 HA THR 30 26.373 6.061 -3.338 228 HB THR 30 HB THR 30 23.950 4.255 -3.387 229 HG1 THR 30 HG1 THR 30 25.501 5.337 -5.520 230 HG21 THR 30 3HG2 THR 30 23.249 6.576 -3.086 231 HG22 THR 30 1HG2 THR 30 22.868 6.015 -4.713 232 HG23 THR 30 2HG2 THR 30 24.257 7.068 -4.446 233 H LEU 31 H LEU 31 25.011 4.255 -0.682 234 HA LEU 31 HA LEU 31 24.020 6.754 0.514 235 HB2 LEU 31 1HB LEU 31 23.376 4.098 1.679 236 HB3 LEU 31 2HB LEU 31 22.414 5.574 1.638 237 HG LEU 31 HG LEU 31 22.768 3.524 -0.535 238 HD11 LEU 31 1HD1 LEU 31 20.462 3.175 -0.329 239 HD12 LEU 31 2HD1 LEU 31 20.230 4.659 0.595 240 HD13 LEU 31 3HD1 LEU 31 21.049 3.282 1.331 241 HD21 LEU 31 3HD2 LEU 31 20.983 5.705 -1.182 242 HD22 LEU 31 1HD2 LEU 31 22.289 4.996 -2.132 243 HD23 LEU 31 2HD2 LEU 31 22.642 6.265 -0.959 244 H GLY 32 H GLY 32 26.369 4.259 0.785 245 HA2 GLY 32 1HA GLY 32 27.194 5.353 3.404 246 HA3 GLY 32 2HA GLY 32 27.349 3.650 2.998 247 H SER 33 H SER 33 28.135 4.460 0.194 248 HA SER 33 HA SER 33 30.024 4.910 -1.000 249 HB2 SER 33 1HB SER 33 29.941 7.003 0.637 250 HB3 SER 33 2HB SER 33 31.381 6.236 1.304 251 HG SER 33 HG SER 33 31.037 6.785 -1.455 252 H THR 34 H THR 34 29.703 2.539 0.655 253 HA THR 34 HA THR 34 32.381 1.929 1.613 254 HB THR 34 HB THR 34 30.159 1.168 2.718 255 HG1 THR 34 HG1 THR 34 31.610 0.045 3.757 256 HG21 THR 34 3HG2 THR 34 29.474 0.136 0.415 257 HG22 THR 34 1HG2 THR 34 29.075 -0.708 1.911 258 HG23 THR 34 2HG2 THR 34 30.461 -1.224 0.950 259 H SER 35 H SER 35 32.750 -0.672 1.037 260 HA SER 35 HA SER 35 32.775 -0.791 -1.907 261 HB2 SER 35 1HB SER 35 35.017 -0.271 -0.763 262 HB3 SER 35 2HB SER 35 34.970 -1.937 -0.186 263 HG SER 35 HG SER 35 35.882 -1.147 -2.469 264 H ALA 36 H ALA 36 33.734 -3.251 -2.357 265 HA ALA 36 HA ALA 36 31.525 -4.926 -1.739 266 HB1 ALA 36 1HB ALA 36 34.014 -6.183 -2.713 267 HB2 ALA 36 2HB ALA 36 32.358 -6.329 -3.304 268 HB3 ALA 36 3HB ALA 36 33.324 -4.915 -3.727 269 H ASP 37 H ASP 37 34.608 -4.380 -0.259 270 HA ASP 37 HA ASP 37 35.059 -6.752 1.091 271 HB2 ASP 37 1HB ASP 37 36.385 -4.464 1.021 272 HB3 ASP 37 2HB ASP 37 35.520 -4.173 2.528 273 H GLU 38 H GLU 38 32.623 -4.353 1.624 274 HA GLU 38 HA GLU 38 31.847 -5.650 4.147 275 HB2 GLU 38 1HB GLU 38 30.697 -3.063 3.143 276 HB3 GLU 38 2HB GLU 38 30.775 -3.667 4.792 277 HG2 GLU 38 1HG GLU 38 33.131 -2.753 3.157 278 HG3 GLU 38 2HG GLU 38 32.318 -1.809 4.404 279 H VAL 39 H VAL 39 31.035 -5.381 0.873 280 HA VAL 39 HA VAL 39 28.205 -5.698 1.082 281 HB VAL 39 HB VAL 39 30.123 -6.163 -1.199 282 HG11 VAL 39 1HG1 VAL 39 27.148 -6.549 -1.063 283 HG12 VAL 39 2HG1 VAL 39 27.975 -6.192 -2.581 284 HG13 VAL 39 3HG1 VAL 39 28.377 -7.653 -1.679 285 HG21 VAL 39 3HG2 VAL 39 29.746 -4.032 -1.788 286 HG22 VAL 39 1HG2 VAL 39 28.024 -4.136 -1.420 287 HG23 VAL 39 2HG2 VAL 39 29.185 -3.830 -0.128 288 H GLN 40 H GLN 40 30.725 -7.972 -0.029 289 HA GLN 40 HA GLN 40 29.172 -10.251 -0.135 290 HB2 GLN 40 1HB GLN 40 31.378 -11.466 0.363 291 HB3 GLN 40 2HB GLN 40 31.319 -10.426 -1.055 292 HG2 GLN 40 1HG GLN 40 32.690 -8.841 -0.123 293 HG3 GLN 40 2HG GLN 40 32.282 -9.302 1.528 294 HE21 GLN 40 2HE2 GLN 40 32.774 -11.922 1.632 295 HE22 GLN 40 1HE2 GLN 40 34.437 -12.258 1.307 296 H ARG 41 H ARG 41 30.413 -8.585 2.634 297 HA ARG 41 HA ARG 41 29.972 -10.803 4.440 298 HB2 ARG 41 1HB ARG 41 30.416 -7.979 5.341 299 HB3 ARG 41 2HB ARG 41 30.927 -9.480 6.102 300 HG2 ARG 41 1HG ARG 41 32.083 -8.265 3.601 301 HG3 ARG 41 2HG ARG 41 32.830 -8.295 5.200 302 HD2 ARG 41 1HD ARG 41 32.092 -10.952 4.487 303 HD3 ARG 41 2HD ARG 41 32.982 -10.237 3.143 304 HE ARG 41 HE ARG 41 34.436 -9.630 5.395 305 HH11 ARG 41 1HH1 ARG 41 33.318 -12.532 3.829 306 HH12 ARG 41 2HH1 ARG 41 34.652 -13.495 4.373 307 HH21 ARG 41 1HH2 ARG 41 36.197 -10.887 6.117 308 HH22 ARG 41 2HH2 ARG 41 36.288 -12.559 5.676 309 H MET 42 H MET 42 28.299 -7.938 3.364 310 HA MET 42 HA MET 42 26.327 -7.991 5.453 311 HB2 MET 42 1HB MET 42 26.793 -5.871 4.455 312 HB3 MET 42 2HB MET 42 26.511 -6.499 2.837 313 HG2 MET 42 1HG MET 42 24.297 -6.220 2.975 314 HG3 MET 42 2HG MET 42 24.231 -6.765 4.650 315 HE1 MET 42 3HE MET 42 26.390 -4.305 6.020 316 HE2 MET 42 1HE MET 42 24.891 -3.743 6.759 317 HE3 MET 42 2HE MET 42 25.172 -5.470 6.542 318 H MET 43 H MET 43 26.478 -9.019 2.069 319 HA MET 43 HA MET 43 23.761 -9.941 2.028 320 HB2 MET 43 1HB MET 43 24.444 -10.963 -0.164 321 HB3 MET 43 2HB MET 43 24.697 -9.227 -0.049 322 HG2 MET 43 1HG MET 43 26.808 -9.508 -0.621 323 HG3 MET 43 2HG MET 43 27.068 -10.467 0.834 324 HE1 MET 43 3HE MET 43 24.621 -11.617 -2.125 325 HE2 MET 43 1HE MET 43 25.804 -10.503 -2.810 326 HE3 MET 43 2HE MET 43 25.842 -12.210 -3.252 327 H ALA 44 H ALA 44 26.841 -11.283 2.869 328 HA ALA 44 HA ALA 44 26.366 -14.009 2.527 329 HB1 ALA 44 1HB ALA 44 28.214 -12.363 4.108 330 HB2 ALA 44 2HB ALA 44 27.923 -13.982 4.746 331 HB3 ALA 44 3HB ALA 44 28.526 -13.777 3.101 332 H GLU 45 H GLU 45 25.261 -11.799 4.995 333 HA GLU 45 HA GLU 45 24.203 -13.979 6.620 334 HB2 GLU 45 1HB GLU 45 23.485 -12.106 8.141 335 HB3 GLU 45 2HB GLU 45 25.220 -12.241 7.893 336 HG2 GLU 45 1HG GLU 45 25.133 -10.420 6.270 337 HG3 GLU 45 2HG GLU 45 23.393 -10.284 6.516 338 H ILE 46 H ILE 46 23.136 -11.432 4.471 339 HA ILE 46 HA ILE 46 20.364 -11.621 5.079 340 HB ILE 46 HB ILE 46 21.755 -10.566 2.615 341 HG12 ILE 46 1HG1 ILE 46 20.478 -9.061 4.904 342 HG13 ILE 46 2HG1 ILE 46 22.200 -9.415 4.812 343 HG21 ILE 46 1HG2 ILE 46 19.612 -9.429 2.145 344 HG22 ILE 46 2HG2 ILE 46 19.494 -11.186 2.048 345 HG23 ILE 46 3HG2 ILE 46 18.872 -10.337 3.463 346 HD11 ILE 46 3HD1 ILE 46 20.692 -7.856 2.731 347 HD12 ILE 46 1HD1 ILE 46 21.571 -7.129 4.076 348 HD13 ILE 46 2HD1 ILE 46 22.438 -8.068 2.860 349 H ASP 47 H ASP 47 22.467 -13.168 2.709 350 HA ASP 47 HA ASP 47 20.542 -14.366 1.094 351 HB2 ASP 47 1HB ASP 47 23.322 -14.434 1.302 352 HB3 ASP 47 2HB ASP 47 22.827 -16.107 1.544 353 H THR 48 H THR 48 18.889 -15.558 1.772 354 HA THR 48 HA THR 48 18.921 -17.047 4.205 355 HB THR 48 HB THR 48 16.928 -17.099 1.929 356 HG1 THR 48 HG1 THR 48 15.773 -15.670 3.268 357 HG21 THR 48 3HG2 THR 48 16.652 -18.115 4.761 358 HG22 THR 48 1HG2 THR 48 16.822 -19.125 3.326 359 HG23 THR 48 2HG2 THR 48 15.392 -18.112 3.526 360 H ASP 49 H ASP 49 19.612 -17.778 0.882 361 HA ASP 49 HA ASP 49 19.887 -20.629 1.575 362 HB2 ASP 49 1HB ASP 49 19.957 -20.641 -1.132 363 HB3 ASP 49 2HB ASP 49 18.481 -20.839 -0.191 364 H GLY 50 H GLY 50 21.557 -17.795 0.796 365 HA2 GLY 50 1HA GLY 50 23.756 -17.343 0.314 366 HA3 GLY 50 2HA GLY 50 24.095 -18.874 1.109 367 H ASP 51 H ASP 51 23.206 -17.422 -1.991 368 HA ASP 51 HA ASP 51 24.612 -19.642 -3.322 369 HB2 ASP 51 1HB ASP 51 22.997 -19.803 -4.998 370 HB3 ASP 51 2HB ASP 51 22.026 -19.553 -3.549 371 H GLY 52 H GLY 52 25.246 -16.758 -2.465 372 HA2 GLY 52 1HA GLY 52 26.857 -15.308 -3.319 373 HA3 GLY 52 2HA GLY 52 26.720 -16.112 -4.876 374 H PHE 53 H PHE 53 23.667 -15.380 -3.777 375 HA PHE 53 HA PHE 53 23.632 -12.659 -4.815 376 HB2 PHE 53 1HB PHE 53 22.110 -14.949 -6.066 377 HB3 PHE 53 2HB PHE 53 21.697 -13.258 -6.333 378 HD1 PHE 53 HD2 PHE 53 24.158 -15.892 -6.972 379 HD2 PHE 53 HD1 PHE 53 23.071 -11.843 -7.706 380 HE1 PHE 53 HE2 PHE 53 25.804 -15.785 -8.797 381 HE2 PHE 53 HE1 PHE 53 24.715 -11.729 -9.533 382 HZ PHE 53 HZ PHE 53 26.085 -13.701 -10.080 383 H ILE 54 H ILE 54 21.863 -11.444 -4.142 384 HA ILE 54 HA ILE 54 20.318 -12.666 -1.965 385 HB ILE 54 HB ILE 54 20.949 -9.781 -2.575 386 HG12 ILE 54 1HG1 ILE 54 22.744 -11.081 -1.502 387 HG13 ILE 54 2HG1 ILE 54 22.102 -9.854 -0.416 388 HG21 ILE 54 1HG2 ILE 54 19.753 -9.862 -0.086 389 HG22 ILE 54 2HG2 ILE 54 19.028 -9.261 -1.575 390 HG23 ILE 54 3HG2 ILE 54 18.751 -10.928 -1.070 391 HD11 ILE 54 3HD1 ILE 54 22.333 -11.720 0.933 392 HD12 ILE 54 1HD1 ILE 54 20.624 -11.742 0.499 393 HD13 ILE 54 2HD1 ILE 54 21.756 -12.819 -0.319 394 H ASP 55 H ASP 55 18.457 -13.466 -2.730 395 HA ASP 55 HA ASP 55 17.058 -12.458 -4.968 396 HB2 ASP 55 1HB ASP 55 15.851 -14.105 -2.744 397 HB3 ASP 55 2HB ASP 55 15.355 -14.041 -4.433 398 H PHE 56 H PHE 56 14.446 -12.213 -4.345 399 HA PHE 56 HA PHE 56 14.370 -9.589 -3.135 400 HB2 PHE 56 1HB PHE 56 13.098 -10.307 -5.237 401 HB3 PHE 56 2HB PHE 56 12.001 -11.152 -4.150 402 HD1 PHE 56 HD1 PHE 56 11.132 -9.644 -2.135 403 HD2 PHE 56 HD2 PHE 56 12.533 -8.183 -5.880 404 HE1 PHE 56 HE1 PHE 56 9.866 -7.562 -1.793 405 HE2 PHE 56 HE2 PHE 56 11.270 -6.099 -5.543 406 HZ PHE 56 HZ PHE 56 9.935 -5.786 -3.497 407 H ASN 57 H ASN 57 13.153 -12.824 -2.435 408 HA ASN 57 HA ASN 57 11.516 -12.177 -0.254 409 HB2 ASN 57 1HB ASN 57 12.684 -14.599 -1.406 410 HB3 ASN 57 2HB ASN 57 12.495 -14.691 0.342 411 HD21 ASN 57 2HD2 ASN 57 10.675 -13.555 -2.486 412 HD22 ASN 57 1HD2 ASN 57 9.159 -14.218 -1.987 413 H GLU 58 H GLU 58 14.752 -13.676 -0.094 414 HA GLU 58 HA GLU 58 15.179 -13.343 2.613 415 HB2 GLU 58 1HB GLU 58 17.640 -13.367 2.012 416 HB3 GLU 58 2HB GLU 58 16.687 -14.716 1.407 417 HG2 GLU 58 1HG GLU 58 16.475 -13.148 -0.709 418 HG3 GLU 58 2HG GLU 58 17.977 -12.489 -0.064 419 H PHE 59 H PHE 59 15.500 -11.022 0.024 420 HA PHE 59 HA PHE 59 17.068 -9.076 1.210 421 HB2 PHE 59 1HB PHE 59 16.052 -9.151 -1.158 422 HB3 PHE 59 2HB PHE 59 14.644 -8.381 -0.433 423 HD1 PHE 59 HD1 PHE 59 18.349 -7.938 -0.248 424 HD2 PHE 59 HD2 PHE 59 14.535 -6.127 -0.787 425 HE1 PHE 59 HE1 PHE 59 19.431 -5.742 -0.496 426 HE2 PHE 59 HE2 PHE 59 15.610 -3.928 -1.036 427 HZ PHE 59 HZ PHE 59 18.061 -3.733 -0.891 428 H ILE 60 H ILE 60 13.599 -9.659 1.564 429 HA ILE 60 HA ILE 60 13.274 -7.420 3.366 430 HB ILE 60 HB ILE 60 11.221 -9.571 2.973 431 HG12 ILE 60 1HG1 ILE 60 11.834 -7.294 1.077 432 HG13 ILE 60 2HG1 ILE 60 11.991 -9.012 0.729 433 HG21 ILE 60 1HG2 ILE 60 10.974 -7.674 4.632 434 HG22 ILE 60 2HG2 ILE 60 10.860 -6.599 3.240 435 HG23 ILE 60 3HG2 ILE 60 9.661 -7.871 3.471 436 HD11 ILE 60 3HD1 ILE 60 9.926 -8.987 -0.047 437 HD12 ILE 60 1HD1 ILE 60 9.350 -8.629 1.581 438 HD13 ILE 60 2HD1 ILE 60 9.713 -7.312 0.464 439 H SER 61 H SER 61 13.788 -10.856 3.566 440 HA SER 61 HA SER 61 12.876 -11.415 6.124 441 HB2 SER 61 1HB SER 61 13.620 -13.211 4.720 442 HB3 SER 61 2HB SER 61 15.242 -12.529 4.607 443 HG SER 61 HG SER 61 15.685 -13.675 6.299 444 H PHE 62 H PHE 62 16.050 -10.182 5.118 445 HA PHE 62 HA PHE 62 16.885 -9.872 7.880 446 HB2 PHE 62 1HB PHE 62 18.211 -10.181 5.397 447 HB3 PHE 62 2HB PHE 62 18.672 -8.604 6.028 448 HD1 PHE 62 HD1 PHE 62 18.185 -12.068 7.336 449 HD2 PHE 62 HD2 PHE 62 20.580 -8.550 7.285 450 HE1 PHE 62 HE1 PHE 62 19.800 -13.150 8.844 451 HE2 PHE 62 HE2 PHE 62 22.200 -9.627 8.792 452 HZ PHE 62 HZ PHE 62 21.811 -11.930 9.573 453 H CYS 63 H CYS 63 16.287 -7.771 5.074 454 HA CYS 63 HA CYS 63 16.830 -5.315 6.183 455 HB2 CYS 63 1HB CYS 63 16.304 -5.448 3.859 456 HB3 CYS 63 2HB CYS 63 14.713 -6.122 4.190 457 HG CYS 63 HG CYS 63 15.434 -3.059 3.602 458 H ASN 64 H ASN 64 13.933 -7.284 6.547 459 HA ASN 64 HA ASN 64 12.251 -5.434 7.761 460 HB2 ASN 64 1HB ASN 64 11.269 -7.482 7.151 461 HB3 ASN 64 2HB ASN 64 12.494 -8.423 7.997 462 HD21 ASN 64 2HD2 ASN 64 12.330 -8.723 10.201 463 HD22 ASN 64 1HD2 ASN 64 10.890 -8.358 11.084 464 H ALA 65 H ALA 65 14.877 -7.336 9.104 465 HA ALA 65 HA ALA 65 14.317 -6.772 11.835 466 HB1 ALA 65 1HB ALA 65 16.253 -8.268 10.357 467 HB2 ALA 65 2HB ALA 65 17.075 -7.266 11.554 468 HB3 ALA 65 3HB ALA 65 15.815 -8.391 12.062 469 H ASN 66 H ASN 66 15.652 -4.924 9.304 470 HA ASN 66 HA ASN 66 16.832 -3.028 11.223 471 HB2 ASN 66 1HB ASN 66 17.445 -3.594 8.329 472 HB3 ASN 66 2HB ASN 66 17.956 -2.097 9.104 473 HD21 ASN 66 2HD2 ASN 66 17.894 -5.536 9.993 474 HD22 ASN 66 1HD2 ASN 66 19.542 -5.605 10.506 475 HA PRO 67 HA PRO 67 12.958 -1.012 9.719 476 HB2 PRO 67 1HB PRO 67 12.347 0.098 12.120 477 HB3 PRO 67 2HB PRO 67 11.882 -1.549 11.677 478 HG2 PRO 67 1HG PRO 67 14.182 -0.616 13.351 479 HG3 PRO 67 2HG PRO 67 13.077 -1.976 13.625 480 HD2 PRO 67 1HD PRO 67 15.565 -2.302 12.607 481 HD3 PRO 67 2HD PRO 67 14.205 -3.351 12.159 482 H GLY 68 H GLY 68 15.778 0.099 11.457 483 HA2 GLY 68 1HA GLY 68 15.219 2.900 11.071 484 HA3 GLY 68 2HA GLY 68 16.712 2.207 11.688 485 H LEU 69 H LEU 69 16.613 0.415 9.172 486 HA LEU 69 HA LEU 69 18.135 2.272 7.523 487 HB2 LEU 69 1HB LEU 69 19.063 0.061 8.092 488 HB3 LEU 69 2HB LEU 69 17.727 -0.701 7.232 489 HG LEU 69 HG LEU 69 19.647 1.155 5.853 490 HD11 LEU 69 1HD1 LEU 69 20.102 -1.571 6.814 491 HD12 LEU 69 2HD1 LEU 69 21.252 -0.344 6.281 492 HD13 LEU 69 3HD1 LEU 69 20.416 -1.344 5.093 493 HD21 LEU 69 3HD2 LEU 69 18.792 -0.799 4.116 494 HD22 LEU 69 1HD2 LEU 69 18.140 0.836 4.238 495 HD23 LEU 69 2HD2 LEU 69 17.363 -0.490 5.105 496 H MET 70 H MET 70 15.443 -0.025 7.142 497 HA MET 70 HA MET 70 14.838 0.426 4.487 498 HB2 MET 70 1HB MET 70 12.489 -0.205 5.112 499 HB3 MET 70 2HB MET 70 13.724 -1.328 5.665 500 HG2 MET 70 1HG MET 70 13.571 -0.533 7.894 501 HG3 MET 70 2HG MET 70 12.568 0.830 7.404 502 HE1 MET 70 3HE MET 70 12.596 -2.716 6.190 503 HE2 MET 70 1HE MET 70 12.374 -3.301 7.839 504 HE3 MET 70 2HE MET 70 11.050 -3.411 6.679 505 H LYS 71 H LYS 71 14.353 2.497 7.211 506 HA LYS 71 HA LYS 71 12.415 4.195 5.921 507 HB2 LYS 71 1HB LYS 71 14.032 4.523 8.453 508 HB3 LYS 71 2HB LYS 71 12.836 5.687 7.898 509 HG2 LYS 71 1HG LYS 71 11.070 4.105 8.153 510 HG3 LYS 71 2HG LYS 71 12.214 2.799 8.468 511 HD2 LYS 71 1HD LYS 71 12.981 4.275 10.452 512 HD3 LYS 71 2HD LYS 71 11.437 5.099 10.224 513 HE2 LYS 71 1HE LYS 71 11.343 2.149 10.303 514 HE3 LYS 71 2HE LYS 71 11.768 2.952 11.814 515 HZ1 LYS 71 3HZ LYS 71 9.563 3.107 12.063 516 HZ2 LYS 71 1HZ LYS 71 9.241 2.869 10.419 517 HZ3 LYS 71 2HZ LYS 71 9.670 4.405 10.983 518 H ASP 72 H ASP 72 15.882 4.083 6.294 519 HA ASP 72 HA ASP 72 16.259 6.768 5.272 520 HB2 ASP 72 1HB ASP 72 17.845 4.863 6.702 521 HB3 ASP 72 2HB ASP 72 18.698 5.313 5.228 522 H VAL 73 H VAL 73 16.582 3.447 4.137 523 HA VAL 73 HA VAL 73 17.755 4.110 1.629 524 HB VAL 73 HB VAL 73 18.007 1.874 2.537 525 HG11 VAL 73 1HG1 VAL 73 15.239 1.053 1.928 526 HG12 VAL 73 2HG1 VAL 73 16.326 0.524 3.215 527 HG13 VAL 73 3HG1 VAL 73 15.455 2.051 3.366 528 HG21 VAL 73 3HG2 VAL 73 18.164 2.064 0.145 529 HG22 VAL 73 1HG2 VAL 73 17.330 0.561 0.539 530 HG23 VAL 73 2HG2 VAL 73 16.411 1.959 -0.021 531 H ALA 74 H ALA 74 14.453 3.652 2.758 532 HA ALA 74 HA ALA 74 13.288 3.790 0.141 533 HB1 ALA 74 1HB ALA 74 11.791 4.291 2.689 534 HB2 ALA 74 2HB ALA 74 11.220 3.557 1.189 535 HB3 ALA 74 3HB ALA 74 12.322 2.669 2.242 536 H LYS 75 H LYS 75 14.871 6.065 1.788 537 HA LYS 75 HA LYS 75 13.010 8.261 1.314 538 HB2 LYS 75 1HB LYS 75 14.224 9.472 2.805 539 HB3 LYS 75 2HB LYS 75 14.738 7.874 3.331 540 HG2 LYS 75 1HG LYS 75 16.671 8.157 1.678 541 HG3 LYS 75 2HG LYS 75 16.224 9.865 1.656 542 HD2 LYS 75 1HD LYS 75 16.776 10.166 3.893 543 HD3 LYS 75 2HD LYS 75 16.653 8.443 4.257 544 HE2 LYS 75 1HE LYS 75 18.987 9.306 4.214 545 HE3 LYS 75 2HE LYS 75 18.690 7.987 3.083 546 HZ1 LYS 75 3HZ LYS 75 19.992 9.784 2.092 547 HZ2 LYS 75 1HZ LYS 75 18.724 10.870 2.370 548 HZ3 LYS 75 2HZ LYS 75 18.513 9.580 1.296 549 H VAL 76 H VAL 76 15.917 6.854 0.003 550 HA VAL 76 HA VAL 76 15.857 8.862 -2.152 551 HB VAL 76 HB VAL 76 17.822 9.212 -0.688 552 HG11 VAL 76 1HG1 VAL 76 19.197 6.802 -1.657 553 HG12 VAL 76 2HG1 VAL 76 19.262 7.592 -0.080 554 HG13 VAL 76 3HG1 VAL 76 17.922 6.514 -0.473 555 HG21 VAL 76 3HG2 VAL 76 19.388 8.412 -2.887 556 HG22 VAL 76 1HG2 VAL 76 17.800 8.842 -3.525 557 HG23 VAL 76 2HG2 VAL 76 18.709 10.008 -2.564 558 H PHE 77 H PHE 77 16.409 5.541 -1.187 559 HA PHE 77 HA PHE 77 16.680 4.728 -3.989 560 HB2 PHE 77 1HB PHE 77 17.444 3.531 -1.380 561 HB3 PHE 77 2HB PHE 77 16.985 2.416 -2.663 562 HD1 PHE 77 HD2 PHE 77 18.680 5.649 -3.182 563 HD2 PHE 77 HD1 PHE 77 19.095 1.416 -3.024 564 HE1 PHE 77 HE2 PHE 77 20.935 5.838 -4.148 565 HE2 PHE 77 HE1 PHE 77 21.351 1.598 -3.989 566 HZ PHE 77 HZ PHE 77 22.273 3.811 -4.553 Start of MODEL 8 1 H1 ALA 1 H ALA 1 0.144 -3.805 -3.522 2 HA ALA 1 HA ALA 1 2.212 -1.994 -4.522 3 HB1 ALA 1 1HB ALA 1 1.182 -1.366 -1.889 4 HB2 ALA 1 2HB ALA 1 1.185 -0.396 -3.363 5 HB3 ALA 1 3HB ALA 1 -0.110 -1.559 -3.076 6 H ASP 2 H ASP 2 4.189 -1.747 -3.577 7 HA ASP 2 HA ASP 2 4.847 -2.960 -1.060 8 HB2 ASP 2 1HB ASP 2 5.572 -4.281 -3.629 9 HB3 ASP 2 2HB ASP 2 6.785 -4.259 -2.352 10 H ASP 3 H ASP 3 6.261 -1.654 -0.121 11 HA ASP 3 HA ASP 3 7.551 0.438 -1.577 12 HB2 ASP 3 1HB ASP 3 8.303 -0.291 1.232 13 HB3 ASP 3 2HB ASP 3 8.178 1.302 0.491 14 H MET 4 H MET 4 8.543 -2.656 -0.256 15 HA MET 4 HA MET 4 11.339 -2.258 -0.548 16 HB2 MET 4 1HB MET 4 9.659 -4.756 -0.329 17 HB3 MET 4 2HB MET 4 11.416 -4.784 -0.406 18 HG2 MET 4 1HG MET 4 9.883 -3.264 1.683 19 HG3 MET 4 2HG MET 4 10.415 -4.931 1.888 20 HE1 MET 4 3HE MET 4 13.167 -5.520 2.536 21 HE2 MET 4 1HE MET 4 12.887 -5.392 0.799 22 HE3 MET 4 2HE MET 4 14.272 -4.581 1.530 23 H GLU 5 H GLU 5 8.816 -3.006 -2.754 24 HA GLU 5 HA GLU 5 10.312 -4.383 -4.720 25 HB2 GLU 5 1HB GLU 5 7.910 -4.486 -4.769 26 HB3 GLU 5 2HB GLU 5 7.788 -2.739 -4.913 27 HG2 GLU 5 1HG GLU 5 8.611 -2.768 -7.127 28 HG3 GLU 5 2HG GLU 5 9.115 -4.451 -6.991 29 H ARG 6 H ARG 6 9.135 -1.013 -4.774 30 HA ARG 6 HA ARG 6 10.549 -0.136 -6.970 31 HB2 ARG 6 1HB ARG 6 10.455 2.148 -5.813 32 HB3 ARG 6 2HB ARG 6 8.927 1.330 -6.115 33 HG2 ARG 6 1HG ARG 6 8.698 0.712 -3.847 34 HG3 ARG 6 2HG ARG 6 10.366 1.162 -3.484 35 HD2 ARG 6 1HD ARG 6 9.713 3.222 -2.979 36 HD3 ARG 6 2HD ARG 6 9.053 3.422 -4.602 37 HE ARG 6 HE ARG 6 7.589 2.854 -2.186 38 HH11 ARG 6 1HH1 ARG 6 7.576 2.731 -5.665 39 HH12 ARG 6 2HH1 ARG 6 5.848 2.712 -5.788 40 HH21 ARG 6 1HH2 ARG 6 5.313 2.830 -2.335 41 HH22 ARG 6 2HH2 ARG 6 4.562 2.770 -3.893 42 H ILE 7 H ILE 7 11.610 -0.333 -3.606 43 HA ILE 7 HA ILE 7 14.128 0.925 -4.049 44 HB ILE 7 HB ILE 7 13.224 -0.883 -1.806 45 HG12 ILE 7 1HG1 ILE 7 13.634 2.076 -1.589 46 HG13 ILE 7 2HG1 ILE 7 12.144 1.462 -2.298 47 HG21 ILE 7 1HG2 ILE 7 15.789 0.489 -2.358 48 HG22 ILE 7 2HG2 ILE 7 15.193 0.528 -0.700 49 HG23 ILE 7 3HG2 ILE 7 15.470 -1.019 -1.501 50 HD11 ILE 7 3HD1 ILE 7 13.082 1.411 0.493 51 HD12 ILE 7 1HD1 ILE 7 11.453 1.576 -0.160 52 HD13 ILE 7 2HD1 ILE 7 12.211 -0.014 -0.071 53 H PHE 8 H PHE 8 13.002 -2.413 -4.027 54 HA PHE 8 HA PHE 8 15.449 -3.735 -4.043 55 HB2 PHE 8 1HB PHE 8 13.330 -4.916 -3.780 56 HB3 PHE 8 2HB PHE 8 12.875 -4.507 -5.431 57 HD1 PHE 8 HD1 PHE 8 15.130 -6.533 -3.352 58 HD2 PHE 8 HD2 PHE 8 13.717 -5.735 -7.287 59 HE1 PHE 8 HE1 PHE 8 16.194 -8.603 -4.150 60 HE2 PHE 8 HE2 PHE 8 14.778 -7.804 -8.091 61 HZ PHE 8 HZ PHE 8 16.018 -9.242 -6.522 62 H LYS 9 H LYS 9 13.728 -2.116 -6.625 63 HA LYS 9 HA LYS 9 15.117 -3.145 -8.825 64 HB2 LYS 9 1HB LYS 9 14.107 -0.311 -8.605 65 HB3 LYS 9 2HB LYS 9 14.276 -1.285 -10.060 66 HG2 LYS 9 1HG LYS 9 12.272 -1.625 -7.845 67 HG3 LYS 9 2HG LYS 9 11.966 -1.183 -9.527 68 HD2 LYS 9 1HD LYS 9 13.032 -3.831 -8.545 69 HD3 LYS 9 2HD LYS 9 11.395 -3.518 -9.129 70 HE2 LYS 9 1HE LYS 9 12.075 -3.961 -11.196 71 HE3 LYS 9 2HE LYS 9 13.172 -2.583 -11.112 72 HZ1 LYS 9 3HZ LYS 9 13.999 -5.061 -11.520 73 HZ2 LYS 9 1HZ LYS 9 14.072 -5.035 -9.830 74 HZ3 LYS 9 2HZ LYS 9 14.945 -3.901 -10.731 75 H ARG 10 H ARG 10 15.903 -0.532 -6.602 76 HA ARG 10 HA ARG 10 18.110 0.487 -8.056 77 HB2 ARG 10 1HB ARG 10 17.726 0.623 -5.065 78 HB3 ARG 10 2HB ARG 10 18.642 1.729 -6.080 79 HG2 ARG 10 1HG ARG 10 15.655 1.354 -6.172 80 HG3 ARG 10 2HG ARG 10 16.500 2.673 -5.357 81 HD2 ARG 10 1HD ARG 10 16.654 2.065 -8.308 82 HD3 ARG 10 2HD ARG 10 15.644 3.314 -7.580 83 HE ARG 10 HE ARG 10 18.103 3.954 -6.689 84 HH11 ARG 10 1HH1 ARG 10 16.855 3.242 -9.860 85 HH12 ARG 10 2HH1 ARG 10 17.988 4.265 -10.679 86 HH21 ARG 10 1HH2 ARG 10 19.600 5.304 -7.755 87 HH22 ARG 10 2HH2 ARG 10 19.550 5.437 -9.481 88 H PHE 11 H PHE 11 17.939 -1.681 -5.233 89 HA PHE 11 HA PHE 11 20.698 -2.179 -5.060 90 HB2 PHE 11 1HB PHE 11 18.275 -3.692 -4.112 91 HB3 PHE 11 2HB PHE 11 19.902 -4.313 -3.852 92 HD1 PHE 11 HD1 PHE 11 17.917 -1.195 -3.358 93 HD2 PHE 11 HD2 PHE 11 20.983 -3.763 -1.901 94 HE1 PHE 11 HE1 PHE 11 18.117 0.195 -1.337 95 HE2 PHE 11 HE2 PHE 11 21.187 -2.378 0.122 96 HZ PHE 11 HZ PHE 11 19.752 -0.397 0.407 97 H ASP 12 H ASP 12 18.221 -3.507 -7.101 98 HA ASP 12 HA ASP 12 19.951 -5.675 -8.006 99 HB2 ASP 12 1HB ASP 12 17.616 -6.235 -7.652 100 HB3 ASP 12 2HB ASP 12 17.108 -4.942 -8.733 101 H THR 13 H THR 13 21.379 -3.720 -8.712 102 HA THR 13 HA THR 13 20.756 -2.162 -10.935 103 HB THR 13 HB THR 13 23.421 -3.223 -9.992 104 HG1 THR 13 HG1 THR 13 22.365 -1.708 -8.622 105 HG21 THR 13 3HG2 THR 13 22.842 -1.170 -12.130 106 HG22 THR 13 1HG2 THR 13 23.609 -2.740 -12.363 107 HG23 THR 13 2HG2 THR 13 24.431 -1.486 -11.434 108 H ASN 14 H ASN 14 21.457 -5.523 -10.715 109 HA ASN 14 HA ASN 14 22.222 -5.822 -13.483 110 HB2 ASN 14 1HB ASN 14 23.220 -7.389 -12.012 111 HB3 ASN 14 2HB ASN 14 21.680 -7.773 -11.249 112 HD21 ASN 14 2HD2 ASN 14 22.221 -7.451 -14.696 113 HD22 ASN 14 1HD2 ASN 14 21.929 -9.108 -15.088 114 H GLY 15 H GLY 15 19.319 -5.473 -11.812 115 HA2 GLY 15 1HA GLY 15 17.114 -5.850 -12.352 116 HA3 GLY 15 2HA GLY 15 17.655 -5.530 -13.993 117 H ASP 16 H ASP 16 18.391 -8.246 -11.829 118 HA ASP 16 HA ASP 16 17.204 -10.039 -13.846 119 HB2 ASP 16 1HB ASP 16 19.071 -11.282 -13.867 120 HB3 ASP 16 2HB ASP 16 19.849 -9.958 -13.005 121 H GLY 17 H GLY 17 17.064 -8.934 -10.661 122 HA2 GLY 17 1HA GLY 17 15.146 -9.529 -9.323 123 HA3 GLY 17 2HA GLY 17 15.263 -11.160 -9.965 124 H LYS 18 H LYS 18 18.252 -9.748 -9.145 125 HA LYS 18 HA LYS 18 18.233 -10.695 -6.403 126 HB2 LYS 18 1HB LYS 18 20.271 -11.843 -8.302 127 HB3 LYS 18 2HB LYS 18 19.946 -12.321 -6.641 128 HG2 LYS 18 1HG LYS 18 17.742 -13.167 -7.341 129 HG3 LYS 18 2HG LYS 18 18.135 -12.745 -9.010 130 HD2 LYS 18 1HD LYS 18 20.214 -14.337 -7.748 131 HD3 LYS 18 2HD LYS 18 18.652 -15.159 -7.760 132 HE2 LYS 18 1HE LYS 18 18.740 -14.160 -10.282 133 HE3 LYS 18 2HE LYS 18 20.450 -14.467 -9.982 134 HZ1 LYS 18 3HZ LYS 18 19.683 -16.454 -10.852 135 HZ2 LYS 18 1HZ LYS 18 18.210 -16.385 -10.023 136 HZ3 LYS 18 2HZ LYS 18 19.634 -16.748 -9.187 137 H ILE 19 H ILE 19 20.329 -10.243 -5.307 138 HA ILE 19 HA ILE 19 21.684 -7.934 -6.541 139 HB ILE 19 HB ILE 19 21.477 -8.236 -3.569 140 HG12 ILE 19 1HG1 ILE 19 19.175 -8.372 -4.282 141 HG13 ILE 19 2HG1 ILE 19 19.465 -6.756 -3.647 142 HG21 ILE 19 1HG2 ILE 19 22.201 -6.134 -5.520 143 HG22 ILE 19 2HG2 ILE 19 21.373 -5.613 -4.054 144 HG23 ILE 19 3HG2 ILE 19 22.891 -6.503 -3.940 145 HD11 ILE 19 3HD1 ILE 19 19.990 -6.698 -6.426 146 HD12 ILE 19 1HD1 ILE 19 18.447 -7.514 -6.178 147 HD13 ILE 19 2HD1 ILE 19 18.703 -5.894 -5.529 148 H SER 20 H SER 20 23.761 -8.274 -6.928 149 HA SER 20 HA SER 20 25.165 -10.353 -5.396 150 HB2 SER 20 1HB SER 20 24.963 -10.063 -8.107 151 HB3 SER 20 2HB SER 20 26.497 -9.256 -7.784 152 HG SER 20 HG SER 20 27.204 -11.250 -7.851 153 H LEU 21 H LEU 21 27.768 -9.675 -5.871 154 HA LEU 21 HA LEU 21 28.197 -7.631 -3.934 155 HB2 LEU 21 1HB LEU 21 30.349 -8.670 -5.731 156 HB3 LEU 21 2HB LEU 21 30.449 -8.184 -4.040 157 HG LEU 21 HG LEU 21 29.278 -10.733 -5.143 158 HD11 LEU 21 1HD1 LEU 21 31.190 -11.729 -4.562 159 HD12 LEU 21 2HD1 LEU 21 31.303 -10.836 -3.046 160 HD13 LEU 21 3HD1 LEU 21 31.874 -10.103 -4.544 161 HD21 LEU 21 3HD2 LEU 21 27.990 -10.857 -3.341 162 HD22 LEU 21 1HD2 LEU 21 28.611 -9.317 -2.747 163 HD23 LEU 21 2HD2 LEU 21 29.438 -10.819 -2.335 164 H SER 22 H SER 22 27.976 -7.682 -7.371 165 HA SER 22 HA SER 22 29.388 -5.191 -7.757 166 HB2 SER 22 1HB SER 22 28.853 -7.301 -9.406 167 HB3 SER 22 2HB SER 22 27.632 -6.139 -9.925 168 HG SER 22 HG SER 22 30.098 -6.171 -10.674 169 H GLU 23 H GLU 23 26.072 -6.288 -7.460 170 HA GLU 23 HA GLU 23 24.988 -3.689 -8.146 171 HB2 GLU 23 1HB GLU 23 23.511 -6.056 -6.994 172 HB3 GLU 23 2HB GLU 23 22.828 -4.689 -7.863 173 HG2 GLU 23 1HG GLU 23 23.698 -5.422 -9.918 174 HG3 GLU 23 2HG GLU 23 24.781 -6.574 -9.138 175 H LEU 24 H LEU 24 24.958 -5.789 -5.264 176 HA LEU 24 HA LEU 24 23.728 -4.106 -3.478 177 HB2 LEU 24 1HB LEU 24 24.656 -6.511 -3.204 178 HB3 LEU 24 2HB LEU 24 26.118 -5.703 -2.643 179 HG LEU 24 HG LEU 24 23.507 -5.032 -1.363 180 HD11 LEU 24 1HD1 LEU 24 25.008 -7.195 -0.080 181 HD12 LEU 24 2HD1 LEU 24 24.202 -7.652 -1.580 182 HD13 LEU 24 3HD1 LEU 24 23.269 -6.962 -0.252 183 HD21 LEU 24 3HD2 LEU 24 25.949 -4.046 -0.989 184 HD22 LEU 24 1HD2 LEU 24 26.057 -5.434 0.095 185 HD23 LEU 24 2HD2 LEU 24 24.792 -4.228 0.331 186 H THR 25 H THR 25 27.219 -4.291 -4.152 187 HA THR 25 HA THR 25 28.127 -2.356 -2.411 188 HB THR 25 HB THR 25 29.607 -3.776 -3.798 189 HG1 THR 25 HG1 THR 25 30.903 -2.236 -3.128 190 HG21 THR 25 3HG2 THR 25 28.174 -3.171 -5.917 191 HG22 THR 25 1HG2 THR 25 29.895 -3.519 -6.069 192 HG23 THR 25 2HG2 THR 25 29.331 -1.848 -6.060 193 H ASP 26 H ASP 26 26.688 -1.940 -5.607 194 HA ASP 26 HA ASP 26 27.203 0.764 -6.000 195 HB2 ASP 26 1HB ASP 26 25.657 -1.230 -7.253 196 HB3 ASP 26 2HB ASP 26 24.555 0.106 -6.929 197 H ALA 27 H ALA 27 24.983 -0.797 -3.850 198 HA ALA 27 HA ALA 27 23.437 1.605 -3.361 199 HB1 ALA 27 1HB ALA 27 22.971 -1.126 -3.045 200 HB2 ALA 27 2HB ALA 27 23.033 -0.473 -1.407 201 HB3 ALA 27 3HB ALA 27 21.903 0.199 -2.583 202 H LEU 28 H LEU 28 25.423 -0.547 -1.316 203 HA LEU 28 HA LEU 28 25.545 1.150 0.898 204 HB2 LEU 28 1HB LEU 28 27.736 -0.738 0.079 205 HB3 LEU 28 2HB LEU 28 27.295 -0.228 1.708 206 HG LEU 28 HG LEU 28 25.819 -2.134 -0.096 207 HD11 LEU 28 1HD1 LEU 28 26.119 -3.237 2.405 208 HD12 LEU 28 2HD1 LEU 28 27.635 -2.371 2.162 209 HD13 LEU 28 3HD1 LEU 28 27.116 -3.583 0.991 210 HD21 LEU 28 3HD2 LEU 28 24.055 -0.946 0.843 211 HD22 LEU 28 1HD2 LEU 28 24.909 -0.685 2.363 212 HD23 LEU 28 2HD2 LEU 28 24.282 -2.286 1.969 213 H ARG 29 H ARG 29 27.142 1.329 -2.130 214 HA ARG 29 HA ARG 29 29.265 3.056 -1.151 215 HB2 ARG 29 1HB ARG 29 30.193 2.937 -3.312 216 HB3 ARG 29 2HB ARG 29 29.537 1.333 -3.015 217 HG2 ARG 29 1HG ARG 29 28.735 1.643 -5.105 218 HG3 ARG 29 2HG ARG 29 27.420 2.409 -4.211 219 HD2 ARG 29 1HD ARG 29 27.848 4.385 -5.140 220 HD3 ARG 29 2HD ARG 29 29.553 4.282 -4.703 221 HE ARG 29 HE ARG 29 28.394 3.740 -7.264 222 HH11 ARG 29 1HH1 ARG 29 31.044 2.986 -5.135 223 HH12 ARG 29 2HH1 ARG 29 32.114 2.528 -6.418 224 HH21 ARG 29 1HH2 ARG 29 29.794 3.139 -8.961 225 HH22 ARG 29 2HH2 ARG 29 31.403 2.616 -8.594 226 H THR 30 H THR 30 26.116 3.309 -2.511 227 HA THR 30 HA THR 30 26.476 6.064 -3.363 228 HB THR 30 HB THR 30 24.047 4.266 -3.376 229 HG1 THR 30 HG1 THR 30 25.250 5.361 -5.666 230 HG21 THR 30 3HG2 THR 30 23.363 6.594 -3.066 231 HG22 THR 30 1HG2 THR 30 22.947 6.026 -4.682 232 HG23 THR 30 2HG2 THR 30 24.346 7.075 -4.448 233 H LEU 31 H LEU 31 25.149 4.267 -0.684 234 HA LEU 31 HA LEU 31 24.181 6.770 0.521 235 HB2 LEU 31 1HB LEU 31 23.548 4.115 1.696 236 HB3 LEU 31 2HB LEU 31 22.591 5.595 1.674 237 HG LEU 31 HG LEU 31 22.899 3.546 -0.506 238 HD11 LEU 31 1HD1 LEU 31 20.615 3.177 -0.244 239 HD12 LEU 31 2HD1 LEU 31 20.371 4.694 0.622 240 HD13 LEU 31 3HD1 LEU 31 21.201 3.353 1.410 241 HD21 LEU 31 3HD2 LEU 31 21.119 5.743 -1.121 242 HD22 LEU 31 1HD2 LEU 31 22.398 5.020 -2.096 243 HD23 LEU 31 2HD2 LEU 31 22.787 6.286 -0.931 244 H GLY 32 H GLY 32 26.540 4.288 0.751 245 HA2 GLY 32 1HA GLY 32 27.405 5.382 3.357 246 HA3 GLY 32 2HA GLY 32 27.543 3.676 2.959 247 H SER 33 H SER 33 28.291 4.457 0.140 248 HA SER 33 HA SER 33 30.164 4.888 -1.088 249 HB2 SER 33 1HB SER 33 30.117 7.018 0.443 250 HB3 SER 33 2HB SER 33 31.489 6.244 1.236 251 HG SER 33 HG SER 33 31.262 6.976 -1.494 252 H THR 34 H THR 34 29.857 2.529 0.580 253 HA THR 34 HA THR 34 32.543 1.914 1.511 254 HB THR 34 HB THR 34 30.333 1.165 2.646 255 HG1 THR 34 HG1 THR 34 32.556 0.418 3.090 256 HG21 THR 34 3HG2 THR 34 29.612 0.132 0.355 257 HG22 THR 34 1HG2 THR 34 29.229 -0.708 1.857 258 HG23 THR 34 2HG2 THR 34 30.600 -1.232 0.878 259 H SER 35 H SER 35 32.894 -0.692 0.942 260 HA SER 35 HA SER 35 32.890 -0.821 -2.002 261 HB2 SER 35 1HB SER 35 35.096 -1.911 -0.249 262 HB3 SER 35 2HB SER 35 35.102 -1.726 -2.003 263 HG SER 35 HG SER 35 34.856 0.464 -0.224 264 H ALA 36 H ALA 36 33.843 -3.292 -2.441 265 HA ALA 36 HA ALA 36 31.626 -4.951 -1.806 266 HB1 ALA 36 1HB ALA 36 33.757 -6.557 -2.731 267 HB2 ALA 36 2HB ALA 36 32.358 -5.973 -3.633 268 HB3 ALA 36 3HB ALA 36 33.843 -5.022 -3.596 269 H ASP 37 H ASP 37 34.726 -4.421 -0.352 270 HA ASP 37 HA ASP 37 35.164 -6.789 1.011 271 HB2 ASP 37 1HB ASP 37 36.524 -4.531 0.911 272 HB3 ASP 37 2HB ASP 37 35.664 -4.194 2.411 273 H GLU 38 H GLU 38 32.756 -4.363 1.544 274 HA GLU 38 HA GLU 38 31.989 -5.631 4.085 275 HB2 GLU 38 1HB GLU 38 30.854 -3.042 3.072 276 HB3 GLU 38 2HB GLU 38 30.946 -3.633 4.725 277 HG2 GLU 38 1HG GLU 38 33.293 -2.758 3.056 278 HG3 GLU 38 2HG GLU 38 32.501 -1.792 4.300 279 H VAL 39 H VAL 39 31.154 -5.387 0.817 280 HA VAL 39 HA VAL 39 28.322 -5.674 1.054 281 HB VAL 39 HB VAL 39 30.214 -6.171 -1.242 282 HG11 VAL 39 1HG1 VAL 39 27.240 -6.537 -1.070 283 HG12 VAL 39 2HG1 VAL 39 28.045 -6.181 -2.599 284 HG13 VAL 39 3HG1 VAL 39 28.455 -7.645 -1.705 285 HG21 VAL 39 3HG2 VAL 39 29.854 -4.040 -1.839 286 HG22 VAL 39 1HG2 VAL 39 28.134 -4.125 -1.459 287 HG23 VAL 39 2HG2 VAL 39 29.307 -3.823 -0.177 288 H GLN 40 H GLN 40 30.804 -7.978 -0.081 289 HA GLN 40 HA GLN 40 29.231 -10.242 -0.150 290 HB2 GLN 40 1HB GLN 40 31.433 -11.474 0.331 291 HB3 GLN 40 2HB GLN 40 31.364 -10.445 -1.094 292 HG2 GLN 40 1HG GLN 40 32.769 -8.872 -0.200 293 HG3 GLN 40 2HG GLN 40 32.364 -9.298 1.462 294 HE21 GLN 40 2HE2 GLN 40 32.824 -11.920 1.614 295 HE22 GLN 40 1HE2 GLN 40 34.481 -12.284 1.285 296 H ARG 41 H ARG 41 30.508 -8.567 2.593 297 HA ARG 41 HA ARG 41 30.074 -10.772 4.419 298 HB2 ARG 41 1HB ARG 41 30.555 -7.939 5.282 299 HB3 ARG 41 2HB ARG 41 31.042 -9.435 6.068 300 HG2 ARG 41 1HG ARG 41 32.218 -8.262 3.558 301 HG3 ARG 41 2HG ARG 41 32.970 -8.322 5.154 302 HD2 ARG 41 1HD ARG 41 32.234 -10.955 4.577 303 HD3 ARG 41 2HD ARG 41 32.905 -10.319 3.075 304 HE ARG 41 HE ARG 41 34.973 -10.310 4.049 305 HH11 ARG 41 1HH1 ARG 41 32.551 -10.575 6.535 306 HH12 ARG 41 2HH1 ARG 41 33.697 -10.853 7.804 307 HH21 ARG 41 1HH2 ARG 41 36.492 -10.676 5.711 308 HH22 ARG 41 2HH2 ARG 41 35.939 -10.909 7.334 309 H MET 42 H MET 42 28.435 -7.857 3.390 310 HA MET 42 HA MET 42 26.479 -7.898 5.483 311 HB2 MET 42 1HB MET 42 26.973 -5.791 4.451 312 HB3 MET 42 2HB MET 42 26.619 -6.428 2.851 313 HG2 MET 42 1HG MET 42 24.422 -6.090 3.066 314 HG3 MET 42 2HG MET 42 24.399 -6.645 4.738 315 HE1 MET 42 3HE MET 42 26.602 -4.449 6.109 316 HE2 MET 42 1HE MET 42 25.247 -3.561 6.805 317 HE3 MET 42 2HE MET 42 25.187 -5.320 6.701 318 H MET 43 H MET 43 26.611 -8.997 2.127 319 HA MET 43 HA MET 43 23.873 -9.879 2.119 320 HB2 MET 43 1HB MET 43 24.506 -10.905 -0.079 321 HB3 MET 43 2HB MET 43 24.796 -9.174 0.027 322 HG2 MET 43 1HG MET 43 26.893 -9.499 -0.576 323 HG3 MET 43 2HG MET 43 27.155 -10.461 0.877 324 HE1 MET 43 3HE MET 43 24.640 -11.532 -2.030 325 HE2 MET 43 1HE MET 43 25.858 -10.493 -2.771 326 HE3 MET 43 2HE MET 43 25.804 -12.210 -3.169 327 H ALA 44 H ALA 44 26.983 -11.261 2.839 328 HA ALA 44 HA ALA 44 26.522 -13.967 2.531 329 HB1 ALA 44 1HB ALA 44 28.342 -12.310 4.100 330 HB2 ALA 44 2HB ALA 44 28.013 -13.884 4.826 331 HB3 ALA 44 3HB ALA 44 28.652 -13.785 3.185 332 H GLU 45 H GLU 45 25.314 -11.787 4.970 333 HA GLU 45 HA GLU 45 24.246 -13.993 6.557 334 HB2 GLU 45 1HB GLU 45 23.470 -12.130 8.073 335 HB3 GLU 45 2HB GLU 45 25.212 -12.273 7.883 336 HG2 GLU 45 1HG GLU 45 25.157 -10.449 6.232 337 HG3 GLU 45 2HG GLU 45 23.424 -10.279 6.509 338 H ILE 46 H ILE 46 23.157 -11.268 4.596 339 HA ILE 46 HA ILE 46 20.397 -11.551 5.080 340 HB ILE 46 HB ILE 46 21.820 -10.418 2.670 341 HG12 ILE 46 1HG1 ILE 46 20.561 -9.052 5.059 342 HG13 ILE 46 2HG1 ILE 46 22.289 -9.281 4.819 343 HG21 ILE 46 1HG2 ILE 46 19.676 -9.273 2.209 344 HG22 ILE 46 2HG2 ILE 46 19.573 -11.026 2.049 345 HG23 ILE 46 3HG2 ILE 46 18.924 -10.232 3.484 346 HD11 ILE 46 3HD1 ILE 46 20.454 -7.651 3.079 347 HD12 ILE 46 1HD1 ILE 46 21.626 -7.028 4.240 348 HD13 ILE 46 2HD1 ILE 46 22.179 -7.895 2.806 349 H ASP 47 H ASP 47 22.576 -13.115 2.822 350 HA ASP 47 HA ASP 47 20.679 -14.250 1.098 351 HB2 ASP 47 1HB ASP 47 23.410 -14.237 1.230 352 HB3 ASP 47 2HB ASP 47 23.047 -15.908 1.651 353 H THR 48 H THR 48 18.961 -15.294 1.928 354 HA THR 48 HA THR 48 19.164 -17.034 4.206 355 HB THR 48 HB THR 48 16.843 -16.680 2.299 356 HG1 THR 48 HG1 THR 48 17.754 -15.214 4.511 357 HG21 THR 48 3HG2 THR 48 15.913 -17.298 4.845 358 HG22 THR 48 1HG2 THR 48 17.286 -18.378 4.606 359 HG23 THR 48 2HG2 THR 48 15.954 -18.376 3.450 360 H ASP 49 H ASP 49 19.560 -17.385 0.833 361 HA ASP 49 HA ASP 49 19.295 -20.311 1.051 362 HB2 ASP 49 1HB ASP 49 18.068 -20.145 -0.813 363 HB3 ASP 49 2HB ASP 49 18.445 -18.432 -0.969 364 H GLY 50 H GLY 50 21.493 -17.751 0.720 365 HA2 GLY 50 1HA GLY 50 23.739 -17.646 0.234 366 HA3 GLY 50 2HA GLY 50 23.785 -19.260 0.929 367 H ASP 51 H ASP 51 23.300 -17.464 -2.072 368 HA ASP 51 HA ASP 51 24.448 -19.739 -3.525 369 HB2 ASP 51 1HB ASP 51 22.814 -19.649 -5.255 370 HB3 ASP 51 2HB ASP 51 21.925 -19.698 -3.736 371 H GLY 52 H GLY 52 25.115 -16.845 -2.600 372 HA2 GLY 52 1HA GLY 52 26.776 -15.432 -3.438 373 HA3 GLY 52 2HA GLY 52 26.598 -16.194 -5.011 374 H PHE 53 H PHE 53 23.584 -15.403 -3.829 375 HA PHE 53 HA PHE 53 23.599 -12.661 -4.800 376 HB2 PHE 53 1HB PHE 53 22.011 -14.875 -6.104 377 HB3 PHE 53 2HB PHE 53 21.641 -13.167 -6.320 378 HD1 PHE 53 HD2 PHE 53 24.084 -15.822 -7.001 379 HD2 PHE 53 HD1 PHE 53 22.984 -11.772 -7.715 380 HE1 PHE 53 HE2 PHE 53 25.718 -15.705 -8.836 381 HE2 PHE 53 HE1 PHE 53 24.617 -11.649 -9.552 382 HZ PHE 53 HZ PHE 53 25.987 -13.616 -10.114 383 H ILE 54 H ILE 54 21.777 -11.449 -4.165 384 HA ILE 54 HA ILE 54 20.270 -12.682 -1.963 385 HB ILE 54 HB ILE 54 20.897 -9.792 -2.554 386 HG12 ILE 54 1HG1 ILE 54 22.711 -11.084 -1.519 387 HG13 ILE 54 2HG1 ILE 54 22.066 -9.890 -0.397 388 HG21 ILE 54 1HG2 ILE 54 19.733 -9.896 -0.051 389 HG22 ILE 54 2HG2 ILE 54 18.988 -9.282 -1.526 390 HG23 ILE 54 3HG2 ILE 54 18.719 -10.954 -1.031 391 HD11 ILE 54 3HD1 ILE 54 21.982 -11.563 1.061 392 HD12 ILE 54 1HD1 ILE 54 20.566 -12.110 0.164 393 HD13 ILE 54 2HD1 ILE 54 22.155 -12.786 -0.198 394 H ASP 55 H ASP 55 18.403 -13.474 -2.723 395 HA ASP 55 HA ASP 55 16.984 -12.448 -4.938 396 HB2 ASP 55 1HB ASP 55 15.789 -14.098 -2.712 397 HB3 ASP 55 2HB ASP 55 15.283 -14.027 -4.398 398 H PHE 56 H PHE 56 14.381 -12.193 -4.293 399 HA PHE 56 HA PHE 56 14.328 -9.577 -3.063 400 HB2 PHE 56 1HB PHE 56 13.044 -10.256 -5.165 401 HB3 PHE 56 2HB PHE 56 11.950 -11.119 -4.091 402 HD1 PHE 56 HD1 PHE 56 11.074 -9.652 -2.055 403 HD2 PHE 56 HD2 PHE 56 12.490 -8.116 -5.764 404 HE1 PHE 56 HE1 PHE 56 9.809 -7.577 -1.675 405 HE2 PHE 56 HE2 PHE 56 11.228 -6.038 -5.388 406 HZ PHE 56 HZ PHE 56 9.886 -5.765 -3.342 407 H ASN 57 H ASN 57 13.111 -12.813 -2.382 408 HA ASN 57 HA ASN 57 11.473 -12.184 -0.196 409 HB2 ASN 57 1HB ASN 57 12.679 -14.603 -1.338 410 HB3 ASN 57 2HB ASN 57 12.426 -14.692 0.403 411 HD21 ASN 57 2HD2 ASN 57 10.623 -13.273 -2.306 412 HD22 ASN 57 1HD2 ASN 57 9.124 -14.049 -1.935 413 H GLU 58 H GLU 58 14.711 -13.680 -0.040 414 HA GLU 58 HA GLU 58 15.140 -13.359 2.666 415 HB2 GLU 58 1HB GLU 58 17.598 -13.375 2.068 416 HB3 GLU 58 2HB GLU 58 16.650 -14.717 1.443 417 HG2 GLU 58 1HG GLU 58 16.441 -13.130 -0.655 418 HG3 GLU 58 2HG GLU 58 17.934 -12.465 0.003 419 H PHE 59 H PHE 59 15.517 -11.030 0.077 420 HA PHE 59 HA PHE 59 17.057 -9.085 1.277 421 HB2 PHE 59 1HB PHE 59 16.024 -9.152 -1.089 422 HB3 PHE 59 2HB PHE 59 14.628 -8.374 -0.350 423 HD1 PHE 59 HD1 PHE 59 18.338 -7.960 -0.189 424 HD2 PHE 59 HD2 PHE 59 14.535 -6.117 -0.696 425 HE1 PHE 59 HE1 PHE 59 19.435 -5.771 -0.436 426 HE2 PHE 59 HE2 PHE 59 15.625 -3.926 -0.945 427 HZ PHE 59 HZ PHE 59 18.078 -3.751 -0.815 428 H ILE 60 H ILE 60 13.585 -9.664 1.629 429 HA ILE 60 HA ILE 60 13.252 -7.434 3.434 430 HB ILE 60 HB ILE 60 11.228 -9.619 3.070 431 HG12 ILE 60 1HG1 ILE 60 11.800 -7.342 1.161 432 HG13 ILE 60 2HG1 ILE 60 11.954 -9.061 0.816 433 HG21 ILE 60 1HG2 ILE 60 10.939 -7.753 4.733 434 HG22 ILE 60 2HG2 ILE 60 10.853 -6.648 3.363 435 HG23 ILE 60 3HG2 ILE 60 9.644 -7.917 3.548 436 HD11 ILE 60 3HD1 ILE 60 9.874 -9.055 0.081 437 HD12 ILE 60 1HD1 ILE 60 9.321 -8.657 1.707 438 HD13 ILE 60 2HD1 ILE 60 9.678 -7.369 0.556 439 H SER 61 H SER 61 13.749 -10.883 3.650 440 HA SER 61 HA SER 61 12.891 -11.428 6.218 441 HB2 SER 61 1HB SER 61 13.627 -13.245 4.869 442 HB3 SER 61 2HB SER 61 15.222 -12.527 4.645 443 HG SER 61 HG SER 61 15.721 -12.990 6.749 444 H PHE 62 H PHE 62 16.046 -10.171 5.180 445 HA PHE 62 HA PHE 62 16.900 -9.836 7.932 446 HB2 PHE 62 1HB PHE 62 18.206 -10.132 5.433 447 HB3 PHE 62 2HB PHE 62 18.660 -8.555 6.069 448 HD1 PHE 62 HD1 PHE 62 18.159 -11.992 7.444 449 HD2 PHE 62 HD2 PHE 62 20.628 -8.531 7.230 450 HE1 PHE 62 HE1 PHE 62 19.794 -13.070 8.934 451 HE2 PHE 62 HE2 PHE 62 22.266 -9.604 8.719 452 HZ PHE 62 HZ PHE 62 21.851 -11.876 9.572 453 H CYS 63 H CYS 63 16.274 -7.750 5.120 454 HA CYS 63 HA CYS 63 16.791 -5.286 6.218 455 HB2 CYS 63 1HB CYS 63 16.251 -5.458 3.891 456 HB3 CYS 63 2HB CYS 63 14.654 -6.106 4.249 457 HG CYS 63 HG CYS 63 14.701 -3.275 5.755 458 H ASN 64 H ASN 64 13.919 -7.286 6.606 459 HA ASN 64 HA ASN 64 12.216 -5.454 7.813 460 HB2 ASN 64 1HB ASN 64 11.495 -7.691 7.114 461 HB3 ASN 64 2HB ASN 64 12.479 -8.415 8.384 462 HD21 ASN 64 2HD2 ASN 64 10.371 -5.576 8.437 463 HD22 ASN 64 1HD2 ASN 64 9.322 -6.162 9.679 464 H ALA 65 H ALA 65 14.855 -7.335 9.179 465 HA ALA 65 HA ALA 65 14.307 -6.738 11.900 466 HB1 ALA 65 1HB ALA 65 16.261 -8.219 10.428 467 HB2 ALA 65 2HB ALA 65 17.070 -7.196 11.616 468 HB3 ALA 65 3HB ALA 65 15.828 -8.336 12.134 469 H ASN 66 H ASN 66 15.623 -4.904 9.344 470 HA ASN 66 HA ASN 66 16.768 -2.966 11.243 471 HB2 ASN 66 1HB ASN 66 17.401 -3.549 8.355 472 HB3 ASN 66 2HB ASN 66 17.903 -2.051 9.131 473 HD21 ASN 66 2HD2 ASN 66 17.828 -5.471 10.084 474 HD22 ASN 66 1HD2 ASN 66 19.481 -5.542 10.582 475 HA PRO 67 HA PRO 67 12.877 -1.023 9.689 476 HB2 PRO 67 1HB PRO 67 12.237 0.113 12.070 477 HB3 PRO 67 2HB PRO 67 11.796 -1.546 11.647 478 HG2 PRO 67 1HG PRO 67 14.074 -0.560 13.321 479 HG3 PRO 67 2HG PRO 67 12.985 -1.930 13.608 480 HD2 PRO 67 1HD PRO 67 15.483 -2.238 12.609 481 HD3 PRO 67 2HD PRO 67 14.139 -3.310 12.168 482 H GLY 68 H GLY 68 15.588 0.198 11.569 483 HA2 GLY 68 1HA GLY 68 15.019 2.966 11.082 484 HA3 GLY 68 2HA GLY 68 16.512 2.308 11.736 485 H LEU 69 H LEU 69 16.468 0.483 9.232 486 HA LEU 69 HA LEU 69 18.008 2.335 7.594 487 HB2 LEU 69 1HB LEU 69 18.933 0.130 8.198 488 HB3 LEU 69 2HB LEU 69 17.619 -0.642 7.313 489 HG LEU 69 HG LEU 69 19.559 1.217 5.967 490 HD11 LEU 69 1HD1 LEU 69 20.024 -1.481 6.975 491 HD12 LEU 69 2HD1 LEU 69 21.169 -0.268 6.401 492 HD13 LEU 69 3HD1 LEU 69 20.333 -1.307 5.247 493 HD21 LEU 69 3HD2 LEU 69 18.745 -0.760 4.229 494 HD22 LEU 69 1HD2 LEU 69 18.102 0.880 4.313 495 HD23 LEU 69 2HD2 LEU 69 17.295 -0.428 5.178 496 H MET 70 H MET 70 15.336 0.019 7.183 497 HA MET 70 HA MET 70 14.774 0.454 4.515 498 HB2 MET 70 1HB MET 70 12.421 -0.199 5.102 499 HB3 MET 70 2HB MET 70 13.658 -1.309 5.677 500 HG2 MET 70 1HG MET 70 13.463 -0.503 7.902 501 HG3 MET 70 2HG MET 70 12.443 0.839 7.389 502 HE1 MET 70 3HE MET 70 12.553 -2.715 6.195 503 HE2 MET 70 1HE MET 70 12.327 -3.288 7.848 504 HE3 MET 70 2HE MET 70 11.018 -3.439 6.676 505 H LYS 71 H LYS 71 14.238 2.533 7.219 506 HA LYS 71 HA LYS 71 12.296 4.205 5.902 507 HB2 LYS 71 1HB LYS 71 13.865 4.503 8.462 508 HB3 LYS 71 2HB LYS 71 12.742 5.725 7.881 509 HG2 LYS 71 1HG LYS 71 10.916 4.118 7.990 510 HG3 LYS 71 2HG LYS 71 12.038 2.872 8.543 511 HD2 LYS 71 1HD LYS 71 12.564 4.755 10.367 512 HD3 LYS 71 2HD LYS 71 10.893 5.188 9.996 513 HE2 LYS 71 1HE LYS 71 10.057 3.274 10.893 514 HE3 LYS 71 2HE LYS 71 11.468 2.318 10.444 515 HZ1 LYS 71 3HZ LYS 71 11.173 4.148 12.755 516 HZ2 LYS 71 1HZ LYS 71 12.677 3.569 12.240 517 HZ3 LYS 71 2HZ LYS 71 11.493 2.487 12.775 518 H ASP 72 H ASP 72 15.759 4.125 6.304 519 HA ASP 72 HA ASP 72 16.118 6.809 5.270 520 HB2 ASP 72 1HB ASP 72 17.707 4.936 6.736 521 HB3 ASP 72 2HB ASP 72 18.573 5.378 5.267 522 H VAL 73 H VAL 73 16.531 3.480 4.171 523 HA VAL 73 HA VAL 73 17.719 4.132 1.675 524 HB VAL 73 HB VAL 73 17.968 1.904 2.598 525 HG11 VAL 73 1HG1 VAL 73 15.211 1.065 1.967 526 HG12 VAL 73 2HG1 VAL 73 16.285 0.554 3.270 527 HG13 VAL 73 3HG1 VAL 73 15.405 2.078 3.397 528 HG21 VAL 73 3HG2 VAL 73 18.139 2.091 0.199 529 HG22 VAL 73 1HG2 VAL 73 17.337 0.574 0.606 530 HG23 VAL 73 2HG2 VAL 73 16.390 1.944 0.027 531 H ALA 74 H ALA 74 14.398 3.647 2.747 532 HA ALA 74 HA ALA 74 13.279 3.771 0.111 533 HB1 ALA 74 1HB ALA 74 11.726 4.282 2.620 534 HB2 ALA 74 2HB ALA 74 11.200 3.516 1.121 535 HB3 ALA 74 3HB ALA 74 12.288 2.661 2.213 536 H LYS 75 H LYS 75 14.818 6.064 1.775 537 HA LYS 75 HA LYS 75 12.952 8.245 1.260 538 HB2 LYS 75 1HB LYS 75 14.126 9.463 2.773 539 HB3 LYS 75 2HB LYS 75 14.666 7.874 3.299 540 HG2 LYS 75 1HG LYS 75 16.611 8.191 1.676 541 HG3 LYS 75 2HG LYS 75 16.128 9.888 1.628 542 HD2 LYS 75 1HD LYS 75 16.161 9.429 4.304 543 HD3 LYS 75 2HD LYS 75 17.451 8.354 3.760 544 HE2 LYS 75 1HE LYS 75 18.139 10.504 2.369 545 HE3 LYS 75 2HE LYS 75 17.272 11.319 3.669 546 HZ1 LYS 75 3HZ LYS 75 19.002 11.033 4.998 547 HZ2 LYS 75 1HZ LYS 75 19.873 10.360 3.714 548 HZ3 LYS 75 2HZ LYS 75 18.987 9.360 4.751 549 H VAL 76 H VAL 76 15.892 6.855 0.004 550 HA VAL 76 HA VAL 76 15.849 8.850 -2.164 551 HB VAL 76 HB VAL 76 17.789 9.225 -0.675 552 HG11 VAL 76 1HG1 VAL 76 19.201 6.820 -1.596 553 HG12 VAL 76 2HG1 VAL 76 19.222 7.619 -0.023 554 HG13 VAL 76 3HG1 VAL 76 17.902 6.526 -0.441 555 HG21 VAL 76 3HG2 VAL 76 19.381 8.397 -2.856 556 HG22 VAL 76 1HG2 VAL 76 17.806 8.854 -3.504 557 HG23 VAL 76 2HG2 VAL 76 18.727 10.002 -2.532 558 H PHE 77 H PHE 77 16.413 5.539 -1.173 559 HA PHE 77 HA PHE 77 16.736 4.713 -3.966 560 HB2 PHE 77 1HB PHE 77 17.462 3.538 -1.337 561 HB3 PHE 77 2HB PHE 77 17.023 2.409 -2.615 562 HD1 PHE 77 HD2 PHE 77 18.730 5.642 -3.115 563 HD2 PHE 77 HD1 PHE 77 19.128 1.407 -2.966 564 HE1 PHE 77 HE2 PHE 77 20.997 5.826 -4.051 565 HE2 PHE 77 HE1 PHE 77 21.397 1.584 -3.901 566 HZ PHE 77 HZ PHE 77 22.334 3.795 -4.446 Start of MODEL 9 1 H1 ALA 1 H ALA 1 0.393 -1.617 -1.468 2 HA ALA 1 HA ALA 1 2.374 0.013 -1.158 3 HB1 ALA 1 1HB ALA 1 1.818 0.443 1.062 4 HB2 ALA 1 2HB ALA 1 0.361 -0.307 0.409 5 HB3 ALA 1 3HB ALA 1 1.469 -1.252 1.403 6 H ASP 2 H ASP 2 3.892 -1.918 -2.119 7 HA ASP 2 HA ASP 2 5.591 -2.855 0.091 8 HB2 ASP 2 1HB ASP 2 5.159 -3.852 -2.713 9 HB3 ASP 2 2HB ASP 2 6.607 -4.291 -1.811 10 H ASP 3 H ASP 3 6.725 -0.932 0.426 11 HA ASP 3 HA ASP 3 7.919 0.643 -1.548 12 HB2 ASP 3 1HB ASP 3 9.386 1.473 0.272 13 HB3 ASP 3 2HB ASP 3 7.687 1.438 0.732 14 H MET 4 H MET 4 8.898 -2.380 -0.143 15 HA MET 4 HA MET 4 11.633 -2.303 -0.841 16 HB2 MET 4 1HB MET 4 9.824 -4.704 -0.521 17 HB3 MET 4 2HB MET 4 11.582 -4.737 -0.526 18 HG2 MET 4 1HG MET 4 9.987 -3.171 1.479 19 HG3 MET 4 2HG MET 4 10.463 -4.849 1.726 20 HE1 MET 4 3HE MET 4 13.162 -5.506 2.501 21 HE2 MET 4 1HE MET 4 12.971 -5.388 0.752 22 HE3 MET 4 2HE MET 4 14.341 -4.609 1.543 23 H GLU 5 H GLU 5 8.760 -2.895 -2.667 24 HA GLU 5 HA GLU 5 9.872 -4.382 -4.793 25 HB2 GLU 5 1HB GLU 5 7.480 -4.293 -4.498 26 HB3 GLU 5 2HB GLU 5 7.476 -2.546 -4.693 27 HG2 GLU 5 1HG GLU 5 8.114 -2.758 -7.007 28 HG3 GLU 5 2HG GLU 5 8.263 -4.506 -6.835 29 H ARG 6 H ARG 6 9.250 -0.894 -4.444 30 HA ARG 6 HA ARG 6 10.455 -0.226 -6.941 31 HB2 ARG 6 1HB ARG 6 10.339 2.122 -6.051 32 HB3 ARG 6 2HB ARG 6 8.804 1.263 -6.073 33 HG2 ARG 6 1HG ARG 6 8.919 0.874 -3.711 34 HG3 ARG 6 2HG ARG 6 10.551 1.540 -3.639 35 HD2 ARG 6 1HD ARG 6 8.179 3.132 -4.580 36 HD3 ARG 6 2HD ARG 6 8.672 3.066 -2.889 37 HE ARG 6 HE ARG 6 10.856 3.777 -4.553 38 HH11 ARG 6 1HH1 ARG 6 7.932 5.040 -3.146 39 HH12 ARG 6 2HH1 ARG 6 8.494 6.678 -3.127 40 HH21 ARG 6 1HH2 ARG 6 11.607 5.931 -4.533 41 HH22 ARG 6 2HH2 ARG 6 10.584 7.185 -3.917 42 H ILE 7 H ILE 7 11.557 -0.322 -3.599 43 HA ILE 7 HA ILE 7 14.050 0.958 -4.051 44 HB ILE 7 HB ILE 7 13.207 -0.929 -1.850 45 HG12 ILE 7 1HG1 ILE 7 13.586 2.033 -1.576 46 HG13 ILE 7 2HG1 ILE 7 12.082 1.403 -2.240 47 HG21 ILE 7 1HG2 ILE 7 15.770 0.352 -2.463 48 HG22 ILE 7 2HG2 ILE 7 15.207 0.589 -0.809 49 HG23 ILE 7 3HG2 ILE 7 15.411 -1.043 -1.446 50 HD11 ILE 7 3HD1 ILE 7 13.088 1.388 0.511 51 HD12 ILE 7 1HD1 ILE 7 11.434 1.406 -0.099 52 HD13 ILE 7 2HD1 ILE 7 12.328 -0.112 -0.018 53 H PHE 8 H PHE 8 12.967 -2.384 -4.176 54 HA PHE 8 HA PHE 8 15.479 -3.630 -4.283 55 HB2 PHE 8 1HB PHE 8 13.410 -4.879 -3.893 56 HB3 PHE 8 2HB PHE 8 12.860 -4.501 -5.523 57 HD1 PHE 8 HD2 PHE 8 15.276 -6.434 -3.540 58 HD2 PHE 8 HD1 PHE 8 13.668 -5.705 -7.413 59 HE1 PHE 8 HE2 PHE 8 16.376 -8.470 -4.377 60 HE2 PHE 8 HE1 PHE 8 14.764 -7.740 -8.256 61 HZ PHE 8 HZ PHE 8 16.122 -9.124 -6.737 62 H LYS 9 H LYS 9 13.712 -1.827 -6.634 63 HA LYS 9 HA LYS 9 14.895 -2.866 -8.982 64 HB2 LYS 9 1HB LYS 9 13.938 -0.029 -8.635 65 HB3 LYS 9 2HB LYS 9 13.968 -0.990 -10.108 66 HG2 LYS 9 1HG LYS 9 12.168 -1.381 -7.728 67 HG3 LYS 9 2HG LYS 9 11.708 -0.810 -9.334 68 HD2 LYS 9 1HD LYS 9 12.821 -3.541 -8.689 69 HD3 LYS 9 2HD LYS 9 11.123 -3.171 -8.999 70 HE2 LYS 9 1HE LYS 9 11.716 -2.405 -11.253 71 HE3 LYS 9 2HE LYS 9 13.406 -2.798 -10.938 72 HZ1 LYS 9 3HZ LYS 9 12.394 -4.571 -12.166 73 HZ2 LYS 9 1HZ LYS 9 11.135 -4.708 -11.043 74 HZ3 LYS 9 2HZ LYS 9 12.713 -5.123 -10.599 75 H ARG 10 H ARG 10 16.021 -0.690 -6.551 76 HA ARG 10 HA ARG 10 18.127 0.421 -8.199 77 HB2 ARG 10 1HB ARG 10 17.846 0.663 -5.206 78 HB3 ARG 10 2HB ARG 10 18.722 1.728 -6.297 79 HG2 ARG 10 1HG ARG 10 15.734 1.368 -6.313 80 HG3 ARG 10 2HG ARG 10 16.585 2.666 -5.473 81 HD2 ARG 10 1HD ARG 10 17.569 3.354 -7.644 82 HD3 ARG 10 2HD ARG 10 16.586 2.125 -8.439 83 HE ARG 10 HE ARG 10 14.848 3.699 -6.971 84 HH11 ARG 10 1HH1 ARG 10 17.079 4.110 -9.611 85 HH12 ARG 10 2HH1 ARG 10 16.188 5.408 -10.335 86 HH21 ARG 10 1HH2 ARG 10 13.665 5.407 -7.914 87 HH22 ARG 10 2HH2 ARG 10 14.246 6.145 -9.367 88 H PHE 11 H PHE 11 17.969 -1.625 -5.284 89 HA PHE 11 HA PHE 11 20.689 -2.199 -5.099 90 HB2 PHE 11 1HB PHE 11 18.245 -3.737 -4.235 91 HB3 PHE 11 2HB PHE 11 19.875 -4.314 -3.905 92 HD1 PHE 11 HD1 PHE 11 17.614 -1.418 -3.381 93 HD2 PHE 11 HD2 PHE 11 21.039 -3.561 -2.039 94 HE1 PHE 11 HE1 PHE 11 17.694 -0.018 -1.359 95 HE2 PHE 11 HE2 PHE 11 21.124 -2.165 -0.015 96 HZ PHE 11 HZ PHE 11 19.450 -0.391 0.327 97 H ASP 12 H ASP 12 18.218 -3.543 -7.157 98 HA ASP 12 HA ASP 12 19.975 -5.681 -8.072 99 HB2 ASP 12 1HB ASP 12 17.644 -6.266 -7.727 100 HB3 ASP 12 2HB ASP 12 17.126 -4.974 -8.806 101 H THR 13 H THR 13 21.388 -3.716 -8.769 102 HA THR 13 HA THR 13 20.758 -2.151 -10.985 103 HB THR 13 HB THR 13 23.427 -3.199 -10.039 104 HG1 THR 13 HG1 THR 13 21.962 -0.793 -9.708 105 HG21 THR 13 3HG2 THR 13 22.847 -1.146 -12.176 106 HG22 THR 13 1HG2 THR 13 23.614 -2.715 -12.412 107 HG23 THR 13 2HG2 THR 13 24.435 -1.463 -11.479 108 H ASN 14 H ASN 14 21.489 -5.508 -10.781 109 HA ASN 14 HA ASN 14 22.257 -5.790 -13.549 110 HB2 ASN 14 1HB ASN 14 23.259 -7.358 -12.079 111 HB3 ASN 14 2HB ASN 14 21.716 -7.756 -11.328 112 HD21 ASN 14 2HD2 ASN 14 22.270 -7.407 -14.769 113 HD22 ASN 14 1HD2 ASN 14 21.994 -9.064 -15.174 114 H GLY 15 H GLY 15 19.349 -5.464 -11.884 115 HA2 GLY 15 1HA GLY 15 17.146 -5.845 -12.434 116 HA3 GLY 15 2HA GLY 15 17.692 -5.521 -14.073 117 H ASP 16 H ASP 16 18.449 -8.239 -11.919 118 HA ASP 16 HA ASP 16 17.264 -10.033 -13.937 119 HB2 ASP 16 1HB ASP 16 19.141 -11.260 -13.969 120 HB3 ASP 16 2HB ASP 16 19.911 -9.939 -13.093 121 H GLY 17 H GLY 17 17.136 -8.942 -10.743 122 HA2 GLY 17 1HA GLY 17 15.227 -9.546 -9.397 123 HA3 GLY 17 2HA GLY 17 15.337 -11.172 -10.054 124 H LYS 18 H LYS 18 18.324 -9.748 -9.224 125 HA LYS 18 HA LYS 18 18.320 -10.740 -6.498 126 HB2 LYS 18 1HB LYS 18 20.357 -11.842 -8.428 127 HB3 LYS 18 2HB LYS 18 20.057 -12.342 -6.769 128 HG2 LYS 18 1HG LYS 18 17.841 -13.186 -7.465 129 HG3 LYS 18 2HG LYS 18 18.241 -12.770 -9.133 130 HD2 LYS 18 1HD LYS 18 20.307 -14.360 -7.832 131 HD3 LYS 18 2HD LYS 18 18.746 -15.181 -7.893 132 HE2 LYS 18 1HE LYS 18 18.886 -14.180 -10.402 133 HE3 LYS 18 2HE LYS 18 20.596 -14.450 -10.066 134 HZ1 LYS 18 3HZ LYS 18 18.756 -16.608 -9.385 135 HZ2 LYS 18 1HZ LYS 18 20.327 -16.681 -10.009 136 HZ3 LYS 18 2HZ LYS 18 19.026 -16.330 -11.032 137 H ILE 19 H ILE 19 20.365 -10.245 -5.371 138 HA ILE 19 HA ILE 19 21.725 -7.928 -6.586 139 HB ILE 19 HB ILE 19 21.484 -8.250 -3.618 140 HG12 ILE 19 1HG1 ILE 19 19.192 -8.388 -4.361 141 HG13 ILE 19 2HG1 ILE 19 19.468 -6.773 -3.716 142 HG21 ILE 19 1HG2 ILE 19 22.372 -6.216 -5.519 143 HG22 ILE 19 2HG2 ILE 19 21.324 -5.594 -4.245 144 HG23 ILE 19 3HG2 ILE 19 22.806 -6.455 -3.826 145 HD11 ILE 19 3HD1 ILE 19 20.034 -6.687 -6.481 146 HD12 ILE 19 1HD1 ILE 19 18.501 -7.534 -6.273 147 HD13 ILE 19 2HD1 ILE 19 18.713 -5.915 -5.603 148 H SER 20 H SER 20 23.790 -8.306 -6.998 149 HA SER 20 HA SER 20 25.201 -10.361 -5.444 150 HB2 SER 20 1HB SER 20 26.671 -9.357 -7.731 151 HB3 SER 20 2HB SER 20 26.150 -11.004 -7.374 152 HG SER 20 HG SER 20 25.160 -9.319 -9.173 153 H LEU 21 H LEU 21 27.801 -9.681 -5.874 154 HA LEU 21 HA LEU 21 28.202 -7.629 -3.941 155 HB2 LEU 21 1HB LEU 21 30.381 -8.666 -5.705 156 HB3 LEU 21 2HB LEU 21 30.454 -8.182 -4.012 157 HG LEU 21 HG LEU 21 29.304 -10.732 -5.136 158 HD11 LEU 21 1HD1 LEU 21 31.199 -11.736 -4.503 159 HD12 LEU 21 2HD1 LEU 21 31.307 -10.809 -3.007 160 HD13 LEU 21 3HD1 LEU 21 31.888 -10.113 -4.520 161 HD21 LEU 21 3HD2 LEU 21 27.991 -10.864 -3.353 162 HD22 LEU 21 1HD2 LEU 21 28.594 -9.320 -2.752 163 HD23 LEU 21 2HD2 LEU 21 29.423 -10.816 -2.324 164 H SER 22 H SER 22 27.986 -7.676 -7.370 165 HA SER 22 HA SER 22 29.418 -5.192 -7.753 166 HB2 SER 22 1HB SER 22 28.869 -7.307 -9.403 167 HB3 SER 22 2HB SER 22 27.675 -6.123 -9.935 168 HG SER 22 HG SER 22 30.371 -6.156 -10.306 169 H GLU 23 H GLU 23 26.091 -6.283 -7.508 170 HA GLU 23 HA GLU 23 25.026 -3.675 -8.184 171 HB2 GLU 23 1HB GLU 23 23.526 -6.045 -7.069 172 HB3 GLU 23 2HB GLU 23 22.859 -4.668 -7.934 173 HG2 GLU 23 1HG GLU 23 23.743 -5.387 -9.984 174 HG3 GLU 23 2HG GLU 23 24.824 -6.542 -9.206 175 H LEU 24 H LEU 24 24.960 -5.795 -5.318 176 HA LEU 24 HA LEU 24 23.707 -4.130 -3.532 177 HB2 LEU 24 1HB LEU 24 24.648 -6.533 -3.267 178 HB3 LEU 24 2HB LEU 24 26.097 -5.717 -2.681 179 HG LEU 24 HG LEU 24 23.460 -5.083 -1.431 180 HD11 LEU 24 1HD1 LEU 24 24.985 -7.233 -0.147 181 HD12 LEU 24 2HD1 LEU 24 24.186 -7.690 -1.651 182 HD13 LEU 24 3HD1 LEU 24 23.243 -7.019 -0.321 183 HD21 LEU 24 3HD2 LEU 24 25.887 -4.066 -1.023 184 HD22 LEU 24 1HD2 LEU 24 25.993 -5.453 0.062 185 HD23 LEU 24 2HD2 LEU 24 24.711 -4.262 0.278 186 H THR 25 H THR 25 27.210 -4.301 -4.152 187 HA THR 25 HA THR 25 28.085 -2.369 -2.396 188 HB THR 25 HB THR 25 29.592 -3.774 -3.763 189 HG1 THR 25 HG1 THR 25 30.422 -1.876 -2.784 190 HG21 THR 25 3HG2 THR 25 28.180 -3.171 -5.900 191 HG22 THR 25 1HG2 THR 25 29.902 -3.523 -6.029 192 HG23 THR 25 2HG2 THR 25 29.342 -1.851 -6.030 193 H ASP 26 H ASP 26 26.695 -1.944 -5.612 194 HA ASP 26 HA ASP 26 27.203 0.762 -5.990 195 HB2 ASP 26 1HB ASP 26 25.686 -1.229 -7.271 196 HB3 ASP 26 2HB ASP 26 24.563 0.087 -6.943 197 H ALA 27 H ALA 27 24.961 -0.809 -3.870 198 HA ALA 27 HA ALA 27 23.407 1.590 -3.389 199 HB1 ALA 27 1HB ALA 27 22.975 -1.163 -3.049 200 HB2 ALA 27 2HB ALA 27 22.952 -0.455 -1.433 201 HB3 ALA 27 3HB ALA 27 21.867 0.159 -2.681 202 H LEU 28 H LEU 28 25.359 -0.569 -1.318 203 HA LEU 28 HA LEU 28 25.460 1.123 0.898 204 HB2 LEU 28 1HB LEU 28 27.664 -0.758 0.101 205 HB3 LEU 28 2HB LEU 28 27.199 -0.256 1.725 206 HG LEU 28 HG LEU 28 25.754 -2.158 -0.108 207 HD11 LEU 28 1HD1 LEU 28 26.028 -3.247 2.416 208 HD12 LEU 28 2HD1 LEU 28 27.555 -2.405 2.151 209 HD13 LEU 28 3HD1 LEU 28 27.009 -3.624 1.000 210 HD21 LEU 28 3HD2 LEU 28 24.005 -0.900 0.831 211 HD22 LEU 28 1HD2 LEU 28 24.812 -0.790 2.396 212 HD23 LEU 28 2HD2 LEU 28 24.144 -2.330 1.855 213 H ARG 29 H ARG 29 27.095 1.309 -2.111 214 HA ARG 29 HA ARG 29 29.203 3.037 -1.102 215 HB2 ARG 29 1HB ARG 29 30.161 2.920 -3.248 216 HB3 ARG 29 2HB ARG 29 29.496 1.317 -2.968 217 HG2 ARG 29 1HG ARG 29 28.722 1.636 -5.066 218 HG3 ARG 29 2HG ARG 29 27.400 2.409 -4.189 219 HD2 ARG 29 1HD ARG 29 27.798 4.222 -5.420 220 HD3 ARG 29 2HD ARG 29 29.277 4.421 -4.480 221 HE ARG 29 HE ARG 29 30.050 2.729 -6.420 222 HH11 ARG 29 1HH1 ARG 29 28.336 5.758 -6.492 223 HH12 ARG 29 2HH1 ARG 29 28.943 6.214 -8.050 224 HH21 ARG 29 1HH2 ARG 29 30.855 3.317 -8.472 225 HH22 ARG 29 2HH2 ARG 29 30.375 4.824 -9.175 226 H THR 30 H THR 30 26.070 3.290 -2.496 227 HA THR 30 HA THR 30 26.438 6.047 -3.340 228 HB THR 30 HB THR 30 24.014 4.243 -3.389 229 HG1 THR 30 HG1 THR 30 25.456 5.356 -5.570 230 HG21 THR 30 3HG2 THR 30 23.311 6.562 -3.076 231 HG22 THR 30 1HG2 THR 30 22.926 6.008 -4.704 232 HG23 THR 30 2HG2 THR 30 24.316 7.061 -4.436 233 H LEU 31 H LEU 31 25.080 4.243 -0.681 234 HA LEU 31 HA LEU 31 24.092 6.741 0.517 235 HB2 LEU 31 1HB LEU 31 23.454 4.084 1.684 236 HB3 LEU 31 2HB LEU 31 22.491 5.560 1.647 237 HG LEU 31 HG LEU 31 22.839 3.512 -0.529 238 HD11 LEU 31 1HD1 LEU 31 20.543 3.143 -0.305 239 HD12 LEU 31 2HD1 LEU 31 20.297 4.640 0.595 240 HD13 LEU 31 3HD1 LEU 31 21.125 3.281 1.355 241 HD21 LEU 31 3HD2 LEU 31 21.047 5.690 -1.166 242 HD22 LEU 31 1HD2 LEU 31 22.350 4.985 -2.122 243 HD23 LEU 31 2HD2 LEU 31 22.704 6.254 -0.949 244 H GLY 32 H GLY 32 26.449 4.256 0.777 245 HA2 GLY 32 1HA GLY 32 27.283 5.355 3.392 246 HA3 GLY 32 2HA GLY 32 27.431 3.649 2.994 247 H SER 33 H SER 33 28.211 4.434 0.184 248 HA SER 33 HA SER 33 30.095 4.877 -1.021 249 HB2 SER 33 1HB SER 33 30.026 6.981 0.594 250 HB3 SER 33 2HB SER 33 31.455 6.209 1.282 251 HG SER 33 HG SER 33 32.532 6.914 -0.364 252 H THR 34 H THR 34 29.773 2.511 0.636 253 HA THR 34 HA THR 34 32.449 1.895 1.594 254 HB THR 34 HB THR 34 30.227 1.139 2.700 255 HG1 THR 34 HG1 THR 34 32.352 0.403 3.291 256 HG21 THR 34 3HG2 THR 34 29.534 0.113 0.397 257 HG22 THR 34 1HG2 THR 34 29.137 -0.734 1.892 258 HG23 THR 34 2HG2 THR 34 30.519 -1.250 0.926 259 H SER 35 H SER 35 32.812 -0.707 1.018 260 HA SER 35 HA SER 35 32.846 -0.821 -1.926 261 HB2 SER 35 1HB SER 35 35.024 -1.961 -0.175 262 HB3 SER 35 2HB SER 35 35.057 -1.689 -1.917 263 HG SER 35 HG SER 35 35.061 0.537 -1.519 264 H ALA 36 H ALA 36 33.821 -3.298 -2.346 265 HA ALA 36 HA ALA 36 31.585 -4.955 -1.749 266 HB1 ALA 36 1HB ALA 36 33.697 -6.570 -2.676 267 HB2 ALA 36 2HB ALA 36 32.327 -5.941 -3.592 268 HB3 ALA 36 3HB ALA 36 33.831 -5.024 -3.514 269 H ASP 37 H ASP 37 34.668 -4.430 -0.265 270 HA ASP 37 HA ASP 37 35.104 -6.811 1.078 271 HB2 ASP 37 1HB ASP 37 36.434 -4.515 1.014 272 HB3 ASP 37 2HB ASP 37 35.587 -4.252 2.536 273 H GLU 38 H GLU 38 32.682 -4.400 1.612 274 HA GLU 38 HA GLU 38 31.900 -5.693 4.136 275 HB2 GLU 38 1HB GLU 38 30.766 -3.098 3.133 276 HB3 GLU 38 2HB GLU 38 30.838 -3.704 4.782 277 HG2 GLU 38 1HG GLU 38 33.202 -2.804 3.152 278 HG3 GLU 38 2HG GLU 38 32.393 -1.856 4.399 279 H VAL 39 H VAL 39 31.075 -5.384 0.861 280 HA VAL 39 HA VAL 39 28.250 -5.691 1.067 281 HB VAL 39 HB VAL 39 30.169 -6.180 -1.207 282 HG11 VAL 39 1HG1 VAL 39 27.194 -6.557 -1.074 283 HG12 VAL 39 2HG1 VAL 39 28.019 -6.198 -2.592 284 HG13 VAL 39 3HG1 VAL 39 28.421 -7.661 -1.694 285 HG21 VAL 39 3HG2 VAL 39 29.812 -4.047 -1.799 286 HG22 VAL 39 1HG2 VAL 39 28.085 -4.144 -1.454 287 HG23 VAL 39 2HG2 VAL 39 29.229 -3.838 -0.147 288 H GLN 40 H GLN 40 30.752 -7.995 -0.022 289 HA GLN 40 HA GLN 40 29.172 -10.258 -0.122 290 HB2 GLN 40 1HB GLN 40 31.366 -11.494 0.378 291 HB3 GLN 40 2HB GLN 40 31.316 -10.459 -1.043 292 HG2 GLN 40 1HG GLN 40 32.710 -8.889 -0.124 293 HG3 GLN 40 2HG GLN 40 32.291 -9.329 1.531 294 HE21 GLN 40 2HE2 GLN 40 32.751 -11.949 1.669 295 HE22 GLN 40 1HE2 GLN 40 34.410 -12.311 1.349 296 H ARG 41 H ARG 41 30.399 -8.578 2.636 297 HA ARG 41 HA ARG 41 29.968 -10.784 4.458 298 HB2 ARG 41 1HB ARG 41 30.393 -7.943 5.321 299 HB3 ARG 41 2HB ARG 41 30.888 -9.429 6.121 300 HG2 ARG 41 1HG ARG 41 32.088 -8.250 3.625 301 HG3 ARG 41 2HG ARG 41 32.814 -8.289 5.233 302 HD2 ARG 41 1HD ARG 41 32.066 -10.938 4.541 303 HD3 ARG 41 2HD ARG 41 32.939 -10.246 3.174 304 HE ARG 41 HE ARG 41 34.515 -9.594 5.250 305 HH11 ARG 41 1HH1 ARG 41 33.045 -12.596 4.277 306 HH12 ARG 41 2HH1 ARG 41 34.308 -13.580 4.940 307 HH21 ARG 41 1HH2 ARG 41 36.184 -10.879 6.127 308 HH22 ARG 41 2HH2 ARG 41 36.092 -12.602 5.993 309 H MET 42 H MET 42 28.284 -7.926 3.369 310 HA MET 42 HA MET 42 26.300 -7.988 5.443 311 HB2 MET 42 1HB MET 42 26.747 -5.868 4.447 312 HB3 MET 42 2HB MET 42 26.498 -6.502 2.826 313 HG2 MET 42 1HG MET 42 24.273 -6.268 2.934 314 HG3 MET 42 2HG MET 42 24.197 -6.774 4.620 315 HE1 MET 42 3HE MET 42 26.269 -4.330 6.011 316 HE2 MET 42 1HE MET 42 24.766 -3.677 6.663 317 HE3 MET 42 2HE MET 42 24.981 -5.422 6.523 318 H MET 43 H MET 43 26.458 -9.004 2.052 319 HA MET 43 HA MET 43 23.754 -9.949 2.002 320 HB2 MET 43 1HB MET 43 24.458 -10.981 -0.179 321 HB3 MET 43 2HB MET 43 24.701 -9.243 -0.073 322 HG2 MET 43 1HG MET 43 26.814 -9.523 -0.639 323 HG3 MET 43 2HG MET 43 27.074 -10.451 0.836 324 HE1 MET 43 3HE MET 43 24.652 -11.607 -2.091 325 HE2 MET 43 1HE MET 43 25.881 -10.604 -2.863 326 HE3 MET 43 2HE MET 43 25.828 -12.337 -3.185 327 H ALA 44 H ALA 44 26.819 -11.265 2.907 328 HA ALA 44 HA ALA 44 26.352 -14.000 2.568 329 HB1 ALA 44 1HB ALA 44 28.195 -12.342 4.146 330 HB2 ALA 44 2HB ALA 44 27.911 -13.964 4.780 331 HB3 ALA 44 3HB ALA 44 28.514 -13.753 3.136 332 H GLU 45 H GLU 45 25.260 -11.771 5.028 333 HA GLU 45 HA GLU 45 24.194 -13.937 6.665 334 HB2 GLU 45 1HB GLU 45 23.487 -12.054 8.177 335 HB3 GLU 45 2HB GLU 45 25.221 -12.196 7.926 336 HG2 GLU 45 1HG GLU 45 25.138 -10.384 6.294 337 HG3 GLU 45 2HG GLU 45 23.399 -10.240 6.543 338 H ILE 46 H ILE 46 23.155 -11.492 4.417 339 HA ILE 46 HA ILE 46 20.371 -11.644 5.056 340 HB ILE 46 HB ILE 46 21.767 -10.586 2.597 341 HG12 ILE 46 1HG1 ILE 46 20.473 -9.070 4.868 342 HG13 ILE 46 2HG1 ILE 46 22.192 -9.441 4.810 343 HG21 ILE 46 1HG2 ILE 46 19.617 -9.446 2.135 344 HG22 ILE 46 2HG2 ILE 46 19.516 -11.201 2.012 345 HG23 ILE 46 3HG2 ILE 46 18.880 -10.380 3.437 346 HD11 ILE 46 3HD1 ILE 46 20.751 -7.890 2.678 347 HD12 ILE 46 1HD1 ILE 46 21.576 -7.150 4.050 348 HD13 ILE 46 2HD1 ILE 46 22.491 -8.095 2.875 349 H ASP 47 H ASP 47 22.493 -13.203 2.716 350 HA ASP 47 HA ASP 47 20.593 -14.396 1.074 351 HB2 ASP 47 1HB ASP 47 23.372 -14.501 1.359 352 HB3 ASP 47 2HB ASP 47 22.839 -16.166 1.566 353 H THR 48 H THR 48 18.905 -15.546 1.747 354 HA THR 48 HA THR 48 18.869 -17.022 4.181 355 HB THR 48 HB THR 48 16.935 -17.076 1.857 356 HG1 THR 48 HG1 THR 48 15.732 -15.812 3.588 357 HG21 THR 48 3HG2 THR 48 16.605 -18.099 4.680 358 HG22 THR 48 1HG2 THR 48 16.756 -19.096 3.233 359 HG23 THR 48 2HG2 THR 48 15.348 -18.054 3.444 360 H ASP 49 H ASP 49 19.590 -17.803 0.867 361 HA ASP 49 HA ASP 49 19.874 -20.639 1.616 362 HB2 ASP 49 1HB ASP 49 19.930 -20.684 -1.102 363 HB3 ASP 49 2HB ASP 49 18.473 -20.915 -0.139 364 H GLY 50 H GLY 50 21.523 -17.814 0.753 365 HA2 GLY 50 1HA GLY 50 23.718 -17.365 0.255 366 HA3 GLY 50 2HA GLY 50 24.069 -18.882 1.069 367 H ASP 51 H ASP 51 23.157 -17.474 -2.043 368 HA ASP 51 HA ASP 51 24.526 -19.730 -3.355 369 HB2 ASP 51 1HB ASP 51 22.903 -19.885 -5.009 370 HB3 ASP 51 2HB ASP 51 21.931 -19.538 -3.581 371 H GLY 52 H GLY 52 25.137 -16.789 -2.533 372 HA2 GLY 52 1HA GLY 52 26.851 -15.440 -3.401 373 HA3 GLY 52 2HA GLY 52 26.634 -16.210 -4.966 374 H PHE 53 H PHE 53 23.631 -15.420 -3.844 375 HA PHE 53 HA PHE 53 23.675 -12.660 -4.782 376 HB2 PHE 53 1HB PHE 53 22.020 -14.836 -6.072 377 HB3 PHE 53 2HB PHE 53 21.754 -13.114 -6.328 378 HD1 PHE 53 HD2 PHE 53 24.098 -15.900 -6.873 379 HD2 PHE 53 HD1 PHE 53 23.138 -11.855 -7.785 380 HE1 PHE 53 HE2 PHE 53 25.757 -15.920 -8.689 381 HE2 PHE 53 HE1 PHE 53 24.795 -11.868 -9.604 382 HZ PHE 53 HZ PHE 53 26.108 -13.902 -10.057 383 H ILE 54 H ILE 54 21.804 -11.454 -4.207 384 HA ILE 54 HA ILE 54 20.299 -12.674 -1.992 385 HB ILE 54 HB ILE 54 20.974 -9.790 -2.560 386 HG12 ILE 54 1HG1 ILE 54 22.744 -11.131 -1.501 387 HG13 ILE 54 2HG1 ILE 54 22.116 -9.913 -0.396 388 HG21 ILE 54 1HG2 ILE 54 19.772 -9.873 -0.078 389 HG22 ILE 54 2HG2 ILE 54 19.051 -9.258 -1.565 390 HG23 ILE 54 3HG2 ILE 54 18.757 -10.923 -1.066 391 HD11 ILE 54 3HD1 ILE 54 22.291 -11.782 0.939 392 HD12 ILE 54 1HD1 ILE 54 20.596 -11.819 0.454 393 HD13 ILE 54 2HD1 ILE 54 21.764 -12.875 -0.341 394 H ASP 55 H ASP 55 18.430 -13.443 -2.775 395 HA ASP 55 HA ASP 55 17.036 -12.371 -4.987 396 HB2 ASP 55 1HB ASP 55 15.779 -14.037 -2.811 397 HB3 ASP 55 2HB ASP 55 15.347 -13.967 -4.517 398 H PHE 56 H PHE 56 14.428 -12.116 -4.352 399 HA PHE 56 HA PHE 56 14.379 -9.519 -3.088 400 HB2 PHE 56 1HB PHE 56 13.091 -10.170 -5.195 401 HB3 PHE 56 2HB PHE 56 11.999 -11.049 -4.131 402 HD1 PHE 56 HD1 PHE 56 11.109 -9.618 -2.084 403 HD2 PHE 56 HD2 PHE 56 12.548 -8.015 -5.755 404 HE1 PHE 56 HE1 PHE 56 9.841 -7.550 -1.674 405 HE2 PHE 56 HE2 PHE 56 11.284 -5.944 -5.350 406 HZ PHE 56 HZ PHE 56 9.929 -5.709 -3.307 407 H ASN 57 H ASN 57 13.152 -12.759 -2.441 408 HA ASN 57 HA ASN 57 11.522 -12.151 -0.245 409 HB2 ASN 57 1HB ASN 57 12.691 -14.552 -1.439 410 HB3 ASN 57 2HB ASN 57 12.506 -14.673 0.309 411 HD21 ASN 57 2HD2 ASN 57 10.670 -13.470 -2.483 412 HD22 ASN 57 1HD2 ASN 57 9.160 -14.153 -1.996 413 H GLU 58 H GLU 58 14.764 -13.641 -0.120 414 HA GLU 58 HA GLU 58 15.191 -13.344 2.596 415 HB2 GLU 58 1HB GLU 58 17.649 -13.379 1.994 416 HB3 GLU 58 2HB GLU 58 16.689 -14.713 1.369 417 HG2 GLU 58 1HG GLU 58 16.490 -13.108 -0.724 418 HG3 GLU 58 2HG GLU 58 18.000 -12.477 -0.068 419 H PHE 59 H PHE 59 15.499 -10.997 0.033 420 HA PHE 59 HA PHE 59 17.086 -9.070 1.231 421 HB2 PHE 59 1HB PHE 59 16.052 -9.122 -1.135 422 HB3 PHE 59 2HB PHE 59 14.659 -8.341 -0.393 423 HD1 PHE 59 HD1 PHE 59 18.371 -7.944 -0.235 424 HD2 PHE 59 HD2 PHE 59 14.574 -6.083 -0.726 425 HE1 PHE 59 HE1 PHE 59 19.476 -5.758 -0.473 426 HE2 PHE 59 HE2 PHE 59 15.674 -3.895 -0.966 427 HZ PHE 59 HZ PHE 59 18.128 -3.731 -0.840 428 H ILE 60 H ILE 60 13.617 -9.646 1.593 429 HA ILE 60 HA ILE 60 13.298 -7.420 3.410 430 HB ILE 60 HB ILE 60 11.253 -9.580 3.021 431 HG12 ILE 60 1HG1 ILE 60 11.845 -7.288 1.136 432 HG13 ILE 60 2HG1 ILE 60 11.995 -9.005 0.774 433 HG21 ILE 60 1HG2 ILE 60 10.972 -7.735 4.702 434 HG22 ILE 60 2HG2 ILE 60 10.916 -6.607 3.348 435 HG23 ILE 60 3HG2 ILE 60 9.684 -7.860 3.503 436 HD11 ILE 60 3HD1 ILE 60 9.913 -8.999 0.046 437 HD12 ILE 60 1HD1 ILE 60 9.358 -8.579 1.666 438 HD13 ILE 60 2HD1 ILE 60 9.732 -7.306 0.504 439 H SER 61 H SER 61 13.801 -10.863 3.594 440 HA SER 61 HA SER 61 12.916 -11.443 6.148 441 HB2 SER 61 1HB SER 61 13.671 -13.247 4.798 442 HB3 SER 61 2HB SER 61 15.259 -12.513 4.574 443 HG SER 61 HG SER 61 14.253 -13.968 6.711 444 H PHE 62 H PHE 62 16.086 -10.178 5.159 445 HA PHE 62 HA PHE 62 16.897 -9.856 7.927 446 HB2 PHE 62 1HB PHE 62 18.244 -10.160 5.455 447 HB3 PHE 62 2HB PHE 62 18.688 -8.577 6.086 448 HD1 PHE 62 HD1 PHE 62 18.203 -12.033 7.419 449 HD2 PHE 62 HD2 PHE 62 20.601 -8.517 7.336 450 HE1 PHE 62 HE1 PHE 62 19.815 -13.100 8.942 451 HE2 PHE 62 HE2 PHE 62 22.217 -9.579 8.857 452 HZ PHE 62 HZ PHE 62 21.825 -11.873 9.661 453 H CYS 63 H CYS 63 16.290 -7.768 5.114 454 HA CYS 63 HA CYS 63 16.811 -5.304 6.220 455 HB2 CYS 63 1HB CYS 63 16.296 -5.470 3.888 456 HB3 CYS 63 2HB CYS 63 14.696 -6.119 4.225 457 HG CYS 63 HG CYS 63 15.778 -2.906 4.505 458 H ASN 64 H ASN 64 13.940 -7.307 6.585 459 HA ASN 64 HA ASN 64 12.226 -5.468 7.776 460 HB2 ASN 64 1HB ASN 64 11.501 -7.698 7.060 461 HB3 ASN 64 2HB ASN 64 12.471 -8.433 8.333 462 HD21 ASN 64 2HD2 ASN 64 10.384 -5.580 8.397 463 HD22 ASN 64 1HD2 ASN 64 9.319 -6.172 9.623 464 H ALA 65 H ALA 65 14.895 -7.291 9.128 465 HA ALA 65 HA ALA 65 14.306 -6.727 11.859 466 HB1 ALA 65 1HB ALA 65 16.264 -8.214 10.403 467 HB2 ALA 65 2HB ALA 65 17.071 -7.191 11.592 468 HB3 ALA 65 3HB ALA 65 15.823 -8.326 12.107 469 H ASN 66 H ASN 66 15.613 -4.880 9.319 470 HA ASN 66 HA ASN 66 16.770 -2.955 11.225 471 HB2 ASN 66 1HB ASN 66 17.394 -3.527 8.333 472 HB3 ASN 66 2HB ASN 66 17.895 -2.028 9.110 473 HD21 ASN 66 2HD2 ASN 66 17.834 -5.451 10.051 474 HD22 ASN 66 1HD2 ASN 66 19.488 -5.518 10.546 475 HA PRO 67 HA PRO 67 12.873 -1.006 9.688 476 HB2 PRO 67 1HB PRO 67 12.225 0.100 12.081 477 HB3 PRO 67 2HB PRO 67 11.788 -1.554 11.638 478 HG2 PRO 67 1HG PRO 67 14.060 -0.584 13.328 479 HG3 PRO 67 2HG PRO 67 12.974 -1.960 13.597 480 HD2 PRO 67 1HD PRO 67 15.474 -2.251 12.600 481 HD3 PRO 67 2HD PRO 67 14.133 -3.321 12.142 482 H GLY 68 H GLY 68 15.680 0.140 11.413 483 HA2 GLY 68 1HA GLY 68 15.075 2.936 11.016 484 HA3 GLY 68 2HA GLY 68 16.566 2.270 11.665 485 H LEU 69 H LEU 69 16.504 0.461 9.145 486 HA LEU 69 HA LEU 69 18.049 2.319 7.517 487 HB2 LEU 69 1HB LEU 69 18.972 0.108 8.112 488 HB3 LEU 69 2HB LEU 69 17.658 -0.656 7.220 489 HG LEU 69 HG LEU 69 19.605 1.209 5.891 490 HD11 LEU 69 1HD1 LEU 69 20.038 -1.525 6.845 491 HD12 LEU 69 2HD1 LEU 69 21.200 -0.292 6.360 492 HD13 LEU 69 3HD1 LEU 69 20.402 -1.280 5.137 493 HD21 LEU 69 3HD2 LEU 69 18.790 -0.746 4.132 494 HD22 LEU 69 1HD2 LEU 69 18.142 0.891 4.236 495 HD23 LEU 69 2HD2 LEU 69 17.339 -0.430 5.085 496 H MET 70 H MET 70 15.383 -0.002 7.092 497 HA MET 70 HA MET 70 14.819 0.462 4.427 498 HB2 MET 70 1HB MET 70 12.472 -0.222 5.005 499 HB3 MET 70 2HB MET 70 13.720 -1.327 5.566 500 HG2 MET 70 1HG MET 70 13.549 -0.442 7.806 501 HG3 MET 70 2HG MET 70 12.380 0.761 7.267 502 HE1 MET 70 3HE MET 70 12.477 -3.438 8.045 503 HE2 MET 70 1HE MET 70 11.578 -3.609 6.538 504 HE3 MET 70 2HE MET 70 13.137 -2.785 6.545 505 H LYS 71 H LYS 71 14.266 2.498 7.160 506 HA LYS 71 HA LYS 71 12.308 4.170 5.866 507 HB2 LYS 71 1HB LYS 71 13.885 4.473 8.423 508 HB3 LYS 71 2HB LYS 71 12.716 5.662 7.862 509 HG2 LYS 71 1HG LYS 71 10.930 4.066 8.030 510 HG3 LYS 71 2HG LYS 71 12.069 2.775 8.421 511 HD2 LYS 71 1HD LYS 71 12.734 4.372 10.389 512 HD3 LYS 71 2HD LYS 71 11.136 5.064 10.099 513 HE2 LYS 71 1HE LYS 71 11.198 2.133 10.211 514 HE3 LYS 71 2HE LYS 71 11.649 2.931 11.717 515 HZ1 LYS 71 3HZ LYS 71 9.271 3.921 10.345 516 HZ2 LYS 71 1HZ LYS 71 9.581 3.769 12.002 517 HZ3 LYS 71 2HZ LYS 71 9.149 2.409 11.093 518 H ASP 72 H ASP 72 15.768 4.091 6.221 519 HA ASP 72 HA ASP 72 16.101 6.799 5.228 520 HB2 ASP 72 1HB ASP 72 17.706 4.941 6.691 521 HB3 ASP 72 2HB ASP 72 18.571 5.391 5.224 522 H VAL 73 H VAL 73 16.517 3.484 4.105 523 HA VAL 73 HA VAL 73 17.711 4.170 1.613 524 HB VAL 73 HB VAL 73 17.997 1.940 2.532 525 HG11 VAL 73 1HG1 VAL 73 15.262 1.052 1.875 526 HG12 VAL 73 2HG1 VAL 73 16.334 0.559 3.188 527 HG13 VAL 73 3HG1 VAL 73 15.423 2.065 3.310 528 HG21 VAL 73 3HG2 VAL 73 18.181 2.147 0.136 529 HG22 VAL 73 1HG2 VAL 73 17.404 0.613 0.527 530 HG23 VAL 73 2HG2 VAL 73 16.436 1.970 -0.050 531 H ALA 74 H ALA 74 14.402 3.631 2.692 532 HA ALA 74 HA ALA 74 13.275 3.742 0.058 533 HB1 ALA 74 1HB ALA 74 11.727 4.217 2.580 534 HB2 ALA 74 2HB ALA 74 11.198 3.463 1.076 535 HB3 ALA 74 3HB ALA 74 12.303 2.607 2.151 536 H LYS 75 H LYS 75 14.791 6.054 1.706 537 HA LYS 75 HA LYS 75 12.886 8.208 1.205 538 HB2 LYS 75 1HB LYS 75 14.054 9.451 2.707 539 HB3 LYS 75 2HB LYS 75 14.593 7.866 3.247 540 HG2 LYS 75 1HG LYS 75 16.542 8.183 1.617 541 HG3 LYS 75 2HG LYS 75 16.062 9.882 1.588 542 HD2 LYS 75 1HD LYS 75 16.355 10.036 3.990 543 HD3 LYS 75 2HD LYS 75 16.734 8.315 4.079 544 HE2 LYS 75 1HE LYS 75 18.342 10.172 2.360 545 HE3 LYS 75 2HE LYS 75 18.674 10.013 4.084 546 HZ1 LYS 75 3HZ LYS 75 18.531 7.646 2.320 547 HZ2 LYS 75 1HZ LYS 75 19.261 7.787 3.839 548 HZ3 LYS 75 2HZ LYS 75 19.963 8.529 2.492 549 H VAL 76 H VAL 76 15.832 6.853 -0.068 550 HA VAL 76 HA VAL 76 15.761 8.856 -2.228 551 HB VAL 76 HB VAL 76 17.700 9.253 -0.745 552 HG11 VAL 76 1HG1 VAL 76 19.140 6.866 -1.673 553 HG12 VAL 76 2HG1 VAL 76 19.156 7.665 -0.099 554 HG13 VAL 76 3HG1 VAL 76 17.848 6.555 -0.513 555 HG21 VAL 76 3HG2 VAL 76 19.357 8.535 -2.862 556 HG22 VAL 76 1HG2 VAL 76 17.770 8.772 -3.593 557 HG23 VAL 76 2HG2 VAL 76 18.510 10.068 -2.654 558 H PHE 77 H PHE 77 16.377 5.550 -1.247 559 HA PHE 77 HA PHE 77 16.717 4.731 -4.037 560 HB2 PHE 77 1HB PHE 77 17.427 3.561 -1.405 561 HB3 PHE 77 2HB PHE 77 16.990 2.425 -2.678 562 HD1 PHE 77 HD2 PHE 77 18.707 5.654 -3.180 563 HD2 PHE 77 HD1 PHE 77 19.091 1.418 -3.027 564 HE1 PHE 77 HE2 PHE 77 20.977 5.830 -4.111 565 HE2 PHE 77 HE1 PHE 77 21.363 1.587 -3.957 566 HZ PHE 77 HZ PHE 77 22.308 3.795 -4.501 Start of MODEL 10 1 H1 ALA 1 H ALA 1 0.021 -1.370 0.099 2 HA ALA 1 HA ALA 1 2.065 0.202 -0.644 3 HB1 ALA 1 1HB ALA 1 1.812 -0.599 2.239 4 HB2 ALA 1 2HB ALA 1 2.256 0.970 1.566 5 HB3 ALA 1 3HB ALA 1 0.597 0.389 1.428 6 H ASP 2 H ASP 2 3.505 -1.303 -1.777 7 HA ASP 2 HA ASP 2 5.427 -2.612 0.031 8 HB2 ASP 2 1HB ASP 2 4.780 -3.173 -2.870 9 HB3 ASP 2 2HB ASP 2 6.100 -3.935 -1.987 10 H ASP 3 H ASP 3 7.004 -1.183 0.434 11 HA ASP 3 HA ASP 3 7.927 0.656 -1.600 12 HB2 ASP 3 1HB ASP 3 7.793 0.819 1.117 13 HB3 ASP 3 2HB ASP 3 9.491 0.408 0.888 14 H MET 4 H MET 4 9.023 -2.293 -0.045 15 HA MET 4 HA MET 4 11.690 -2.290 -0.867 16 HB2 MET 4 1HB MET 4 9.836 -4.649 -0.496 17 HB3 MET 4 2HB MET 4 11.589 -4.742 -0.589 18 HG2 MET 4 1HG MET 4 10.129 -3.154 1.502 19 HG3 MET 4 2HG MET 4 10.609 -4.836 1.715 20 HE1 MET 4 3HE MET 4 13.244 -5.492 2.516 21 HE2 MET 4 1HE MET 4 13.053 -5.466 0.763 22 HE3 MET 4 2HE MET 4 14.452 -4.693 1.509 23 H GLU 5 H GLU 5 8.790 -2.789 -2.661 24 HA GLU 5 HA GLU 5 9.816 -4.312 -4.802 25 HB2 GLU 5 1HB GLU 5 7.447 -4.156 -4.543 26 HB3 GLU 5 2HB GLU 5 7.491 -2.400 -4.614 27 HG2 GLU 5 1HG GLU 5 8.213 -2.532 -6.959 28 HG3 GLU 5 2HG GLU 5 8.096 -4.289 -6.878 29 H ARG 6 H ARG 6 9.193 -0.805 -4.594 30 HA ARG 6 HA ARG 6 10.506 -0.219 -7.043 31 HB2 ARG 6 1HB ARG 6 10.404 2.156 -6.208 32 HB3 ARG 6 2HB ARG 6 8.858 1.319 -6.274 33 HG2 ARG 6 1HG ARG 6 8.783 1.058 -3.935 34 HG3 ARG 6 2HG ARG 6 10.481 1.502 -3.756 35 HD2 ARG 6 1HD ARG 6 8.451 3.404 -4.885 36 HD3 ARG 6 2HD ARG 6 8.724 3.258 -3.150 37 HE ARG 6 HE ARG 6 11.183 3.654 -4.464 38 HH11 ARG 6 1HH1 ARG 6 8.262 5.349 -3.621 39 HH12 ARG 6 2HH1 ARG 6 9.027 6.902 -3.554 40 HH21 ARG 6 1HH2 ARG 6 12.202 5.693 -4.380 41 HH22 ARG 6 2HH2 ARG 6 11.268 7.096 -3.987 42 H ILE 7 H ILE 7 11.532 -0.325 -3.689 43 HA ILE 7 HA ILE 7 14.034 0.963 -4.065 44 HB ILE 7 HB ILE 7 13.149 -0.963 -1.913 45 HG12 ILE 7 1HG1 ILE 7 13.486 2.008 -1.622 46 HG13 ILE 7 2HG1 ILE 7 11.992 1.340 -2.268 47 HG21 ILE 7 1HG2 ILE 7 15.716 0.346 -2.448 48 HG22 ILE 7 2HG2 ILE 7 15.114 0.555 -0.805 49 HG23 ILE 7 3HG2 ILE 7 15.344 -1.066 -1.460 50 HD11 ILE 7 3HD1 ILE 7 13.065 1.290 0.475 51 HD12 ILE 7 1HD1 ILE 7 11.401 1.407 -0.096 52 HD13 ILE 7 2HD1 ILE 7 12.216 -0.157 -0.069 53 H PHE 8 H PHE 8 12.973 -2.394 -4.200 54 HA PHE 8 HA PHE 8 15.497 -3.613 -4.308 55 HB2 PHE 8 1HB PHE 8 13.424 -4.871 -3.924 56 HB3 PHE 8 2HB PHE 8 12.900 -4.520 -5.567 57 HD1 PHE 8 HD2 PHE 8 15.278 -6.416 -3.512 58 HD2 PHE 8 HD1 PHE 8 13.776 -5.723 -7.434 59 HE1 PHE 8 HE2 PHE 8 16.414 -8.450 -4.303 60 HE2 PHE 8 HE1 PHE 8 14.909 -7.757 -8.231 61 HZ PHE 8 HZ PHE 8 16.231 -9.122 -6.665 62 H LYS 9 H LYS 9 13.709 -1.838 -6.667 63 HA LYS 9 HA LYS 9 14.893 -2.863 -9.014 64 HB2 LYS 9 1HB LYS 9 13.942 -0.025 -8.653 65 HB3 LYS 9 2HB LYS 9 13.975 -0.975 -10.133 66 HG2 LYS 9 1HG LYS 9 12.170 -1.381 -7.759 67 HG3 LYS 9 2HG LYS 9 11.714 -0.800 -9.362 68 HD2 LYS 9 1HD LYS 9 12.817 -3.537 -8.725 69 HD3 LYS 9 2HD LYS 9 11.124 -3.159 -9.054 70 HE2 LYS 9 1HE LYS 9 11.887 -2.263 -11.286 71 HE3 LYS 9 2HE LYS 9 13.466 -2.966 -10.938 72 HZ1 LYS 9 3HZ LYS 9 12.648 -4.796 -11.875 73 HZ2 LYS 9 1HZ LYS 9 11.050 -4.245 -11.805 74 HZ3 LYS 9 2HZ LYS 9 11.742 -5.008 -10.463 75 H ARG 10 H ARG 10 16.038 -0.708 -6.576 76 HA ARG 10 HA ARG 10 18.145 0.400 -8.229 77 HB2 ARG 10 1HB ARG 10 17.838 0.648 -5.237 78 HB3 ARG 10 2HB ARG 10 18.757 1.692 -6.312 79 HG2 ARG 10 1HG ARG 10 15.762 1.399 -6.357 80 HG3 ARG 10 2HG ARG 10 16.640 2.695 -5.542 81 HD2 ARG 10 1HD ARG 10 17.283 2.222 -8.393 82 HD3 ARG 10 2HD ARG 10 15.698 2.909 -8.038 83 HE ARG 10 HE ARG 10 17.708 4.305 -6.624 84 HH11 ARG 10 1HH1 ARG 10 16.413 3.883 -9.828 85 HH12 ARG 10 2HH1 ARG 10 16.884 5.461 -10.368 86 HH21 ARG 10 1HH2 ARG 10 18.333 6.385 -7.323 87 HH22 ARG 10 2HH2 ARG 10 17.977 6.882 -8.942 88 H PHE 11 H PHE 11 18.000 -1.605 -5.282 89 HA PHE 11 HA PHE 11 20.708 -2.200 -5.102 90 HB2 PHE 11 1HB PHE 11 18.263 -3.744 -4.247 91 HB3 PHE 11 2HB PHE 11 19.896 -4.305 -3.900 92 HD1 PHE 11 HD1 PHE 11 17.574 -1.461 -3.388 93 HD2 PHE 11 HD2 PHE 11 21.067 -3.494 -2.053 94 HE1 PHE 11 HE1 PHE 11 17.623 -0.048 -1.374 95 HE2 PHE 11 HE2 PHE 11 21.121 -2.085 -0.037 96 HZ PHE 11 HZ PHE 11 19.398 -0.360 0.305 97 H ASP 12 H ASP 12 18.234 -3.555 -7.155 98 HA ASP 12 HA ASP 12 19.993 -5.692 -8.066 99 HB2 ASP 12 1HB ASP 12 17.665 -6.280 -7.722 100 HB3 ASP 12 2HB ASP 12 17.144 -4.986 -8.798 101 H THR 13 H THR 13 21.407 -3.730 -8.768 102 HA THR 13 HA THR 13 20.779 -2.169 -10.987 103 HB THR 13 HB THR 13 23.447 -3.219 -10.040 104 HG1 THR 13 HG1 THR 13 22.296 -1.680 -8.711 105 HG21 THR 13 3HG2 THR 13 22.870 -1.169 -12.181 106 HG22 THR 13 1HG2 THR 13 23.633 -2.741 -12.414 107 HG23 THR 13 2HG2 THR 13 24.458 -1.489 -11.485 108 H ASN 14 H ASN 14 21.504 -5.527 -10.777 109 HA ASN 14 HA ASN 14 22.270 -5.815 -13.545 110 HB2 ASN 14 1HB ASN 14 23.270 -7.382 -12.073 111 HB3 ASN 14 2HB ASN 14 21.728 -7.777 -11.321 112 HD21 ASN 14 2HD2 ASN 14 22.279 -7.433 -14.763 113 HD22 ASN 14 1HD2 ASN 14 22.000 -9.091 -15.164 114 H GLY 15 H GLY 15 19.364 -5.478 -11.881 115 HA2 GLY 15 1HA GLY 15 17.161 -5.856 -12.428 116 HA3 GLY 15 2HA GLY 15 17.706 -5.540 -14.069 117 H ASP 16 H ASP 16 18.458 -8.251 -11.905 118 HA ASP 16 HA ASP 16 17.269 -10.049 -13.916 119 HB2 ASP 16 1HB ASP 16 19.146 -11.275 -13.946 120 HB3 ASP 16 2HB ASP 16 19.915 -9.959 -13.063 121 H GLY 17 H GLY 17 17.144 -8.947 -10.725 122 HA2 GLY 17 1HA GLY 17 15.231 -9.540 -9.380 123 HA3 GLY 17 2HA GLY 17 15.338 -11.169 -10.029 124 H LYS 18 H LYS 18 18.333 -9.762 -9.212 125 HA LYS 18 HA LYS 18 18.323 -10.739 -6.479 126 HB2 LYS 18 1HB LYS 18 20.373 -11.844 -8.391 127 HB3 LYS 18 2HB LYS 18 20.043 -12.351 -6.739 128 HG2 LYS 18 1HG LYS 18 17.838 -13.186 -7.474 129 HG3 LYS 18 2HG LYS 18 18.262 -12.758 -9.133 130 HD2 LYS 18 1HD LYS 18 20.278 -14.384 -7.768 131 HD3 LYS 18 2HD LYS 18 18.718 -15.187 -7.963 132 HE2 LYS 18 1HE LYS 18 18.907 -14.275 -10.413 133 HE3 LYS 18 2HE LYS 18 20.627 -14.204 -10.036 134 HZ1 LYS 18 3HZ LYS 18 19.020 -16.654 -9.621 135 HZ2 LYS 18 1HZ LYS 18 20.704 -16.506 -9.676 136 HZ3 LYS 18 2HZ LYS 18 19.792 -16.320 -11.088 137 H ILE 19 H ILE 19 20.378 -10.252 -5.357 138 HA ILE 19 HA ILE 19 21.735 -7.935 -6.574 139 HB ILE 19 HB ILE 19 21.497 -8.252 -3.605 140 HG12 ILE 19 1HG1 ILE 19 19.204 -8.392 -4.342 141 HG13 ILE 19 2HG1 ILE 19 19.482 -6.775 -3.704 142 HG21 ILE 19 1HG2 ILE 19 22.389 -6.225 -5.508 143 HG22 ILE 19 2HG2 ILE 19 21.334 -5.597 -4.244 144 HG23 ILE 19 3HG2 ILE 19 22.813 -6.454 -3.812 145 HD11 ILE 19 3HD1 ILE 19 20.044 -6.683 -6.463 146 HD12 ILE 19 1HD1 ILE 19 18.522 -7.551 -6.264 147 HD13 ILE 19 2HD1 ILE 19 18.708 -5.931 -5.591 148 H SER 20 H SER 20 23.797 -8.322 -6.993 149 HA SER 20 HA SER 20 25.208 -10.374 -5.438 150 HB2 SER 20 1HB SER 20 26.681 -9.373 -7.723 151 HB3 SER 20 2HB SER 20 26.153 -11.018 -7.369 152 HG SER 20 HG SER 20 23.988 -10.087 -8.083 153 H LEU 21 H LEU 21 27.810 -9.689 -5.882 154 HA LEU 21 HA LEU 21 28.213 -7.641 -3.943 155 HB2 LEU 21 1HB LEU 21 30.390 -8.680 -5.708 156 HB3 LEU 21 2HB LEU 21 30.465 -8.195 -4.016 157 HG LEU 21 HG LEU 21 29.313 -10.745 -5.138 158 HD11 LEU 21 1HD1 LEU 21 31.214 -11.743 -4.518 159 HD12 LEU 21 2HD1 LEU 21 31.308 -10.837 -3.008 160 HD13 LEU 21 3HD1 LEU 21 31.899 -10.117 -4.505 161 HD21 LEU 21 3HD2 LEU 21 27.993 -10.866 -3.358 162 HD22 LEU 21 1HD2 LEU 21 28.611 -9.331 -2.749 163 HD23 LEU 21 2HD2 LEU 21 29.426 -10.837 -2.329 164 H SER 22 H SER 22 28.002 -7.690 -7.373 165 HA SER 22 HA SER 22 29.431 -5.204 -7.754 166 HB2 SER 22 1HB SER 22 28.898 -7.319 -9.405 167 HB3 SER 22 2HB SER 22 27.694 -6.145 -9.939 168 HG SER 22 HG SER 22 29.259 -4.791 -10.559 169 H GLU 23 H GLU 23 26.111 -6.297 -7.487 170 HA GLU 23 HA GLU 23 25.040 -3.694 -8.179 171 HB2 GLU 23 1HB GLU 23 23.545 -6.065 -7.060 172 HB3 GLU 23 2HB GLU 23 22.874 -4.690 -7.926 173 HG2 GLU 23 1HG GLU 23 23.763 -5.409 -9.976 174 HG3 GLU 23 2HG GLU 23 24.840 -6.565 -9.196 175 H LEU 24 H LEU 24 24.970 -5.808 -5.309 176 HA LEU 24 HA LEU 24 23.716 -4.141 -3.528 177 HB2 LEU 24 1HB LEU 24 24.655 -6.541 -3.253 178 HB3 LEU 24 2HB LEU 24 26.109 -5.728 -2.678 179 HG LEU 24 HG LEU 24 23.481 -5.082 -1.416 180 HD11 LEU 24 1HD1 LEU 24 25.008 -7.233 -0.136 181 HD12 LEU 24 2HD1 LEU 24 24.195 -7.691 -1.632 182 HD13 LEU 24 3HD1 LEU 24 23.265 -7.012 -0.296 183 HD21 LEU 24 3HD2 LEU 24 25.912 -4.070 -1.024 184 HD22 LEU 24 1HD2 LEU 24 26.021 -5.454 0.064 185 HD23 LEU 24 2HD2 LEU 24 24.743 -4.259 0.284 186 H THR 25 H THR 25 27.213 -4.294 -4.174 187 HA THR 25 HA THR 25 28.096 -2.369 -2.413 188 HB THR 25 HB THR 25 29.611 -3.747 -3.780 189 HG1 THR 25 HG1 THR 25 31.027 -1.885 -4.388 190 HG21 THR 25 3HG2 THR 25 28.170 -3.248 -5.905 191 HG22 THR 25 1HG2 THR 25 29.907 -3.504 -6.059 192 HG23 THR 25 2HG2 THR 25 29.253 -1.867 -6.076 193 H ASP 26 H ASP 26 26.695 -1.930 -5.626 194 HA ASP 26 HA ASP 26 27.181 0.778 -5.990 195 HB2 ASP 26 1HB ASP 26 24.676 -0.703 -6.814 196 HB3 ASP 26 2HB ASP 26 25.313 0.771 -7.538 197 H ALA 27 H ALA 27 24.962 -0.812 -3.860 198 HA ALA 27 HA ALA 27 23.403 1.578 -3.354 199 HB1 ALA 27 1HB ALA 27 22.997 -1.184 -3.010 200 HB2 ALA 27 2HB ALA 27 22.960 -0.463 -1.400 201 HB3 ALA 27 3HB ALA 27 21.875 0.130 -2.657 202 H LEU 28 H LEU 28 25.372 -0.585 -1.304 203 HA LEU 28 HA LEU 28 25.488 1.100 0.916 204 HB2 LEU 28 1HB LEU 28 27.689 -0.776 0.096 205 HB3 LEU 28 2HB LEU 28 27.237 -0.279 1.725 206 HG LEU 28 HG LEU 28 25.780 -2.179 -0.100 207 HD11 LEU 28 1HD1 LEU 28 26.068 -3.280 2.411 208 HD12 LEU 28 2HD1 LEU 28 27.589 -2.424 2.157 209 HD13 LEU 28 3HD1 LEU 28 27.056 -3.638 0.995 210 HD21 LEU 28 3HD2 LEU 28 24.038 -0.918 0.854 211 HD22 LEU 28 1HD2 LEU 28 24.853 -0.821 2.416 212 HD23 LEU 28 2HD2 LEU 28 24.180 -2.356 1.866 213 H ARG 29 H ARG 29 27.099 1.301 -2.104 214 HA ARG 29 HA ARG 29 29.213 3.027 -1.104 215 HB2 ARG 29 1HB ARG 29 30.153 2.922 -3.260 216 HB3 ARG 29 2HB ARG 29 29.494 1.316 -2.979 217 HG2 ARG 29 1HG ARG 29 28.704 1.642 -5.071 218 HG3 ARG 29 2HG ARG 29 27.385 2.404 -4.179 219 HD2 ARG 29 1HD ARG 29 27.811 4.372 -5.121 220 HD3 ARG 29 2HD ARG 29 29.501 4.293 -4.625 221 HE ARG 29 HE ARG 29 28.422 3.679 -7.221 222 HH11 ARG 29 1HH1 ARG 29 31.071 3.179 -5.017 223 HH12 ARG 29 2HH1 ARG 29 32.207 2.789 -6.266 224 HH21 ARG 29 1HH2 ARG 29 29.909 3.169 -8.874 225 HH22 ARG 29 2HH2 ARG 29 31.545 2.785 -8.459 226 H THR 30 H THR 30 26.067 3.282 -2.466 227 HA THR 30 HA THR 30 26.425 6.045 -3.300 228 HB THR 30 HB THR 30 24.005 4.236 -3.346 229 HG1 THR 30 HG1 THR 30 24.644 3.817 -5.325 230 HG21 THR 30 3HG2 THR 30 23.299 6.552 -3.014 231 HG22 THR 30 1HG2 THR 30 22.905 6.006 -4.643 232 HG23 THR 30 2HG2 THR 30 24.294 7.060 -4.378 233 H LEU 31 H LEU 31 25.085 4.222 -0.645 234 HA LEU 31 HA LEU 31 24.101 6.712 0.574 235 HB2 LEU 31 1HB LEU 31 23.471 4.049 1.731 236 HB3 LEU 31 2HB LEU 31 22.505 5.523 1.701 237 HG LEU 31 HG LEU 31 22.853 3.486 -0.486 238 HD11 LEU 31 1HD1 LEU 31 20.565 3.095 -0.248 239 HD12 LEU 31 2HD1 LEU 31 20.307 4.589 0.652 240 HD13 LEU 31 3HD1 LEU 31 21.150 3.238 1.410 241 HD21 LEU 31 3HD2 LEU 31 21.046 5.666 -1.090 242 HD22 LEU 31 1HD2 LEU 31 22.333 4.961 -2.068 243 HD23 LEU 31 2HD2 LEU 31 22.709 6.224 -0.895 244 H GLY 32 H GLY 32 26.459 4.224 0.808 245 HA2 GLY 32 1HA GLY 32 27.305 5.306 3.425 246 HA3 GLY 32 2HA GLY 32 27.456 3.604 3.012 247 H SER 33 H SER 33 28.216 4.427 0.204 248 HA SER 33 HA SER 33 30.095 4.879 -1.006 249 HB2 SER 33 1HB SER 33 31.447 6.203 1.309 250 HB3 SER 33 2HB SER 33 31.445 6.653 -0.396 251 HG SER 33 HG SER 33 29.146 7.166 -0.031 252 H THR 34 H THR 34 29.790 2.499 0.632 253 HA THR 34 HA THR 34 32.477 1.887 1.566 254 HB THR 34 HB THR 34 30.268 1.123 2.693 255 HG1 THR 34 HG1 THR 34 32.643 0.291 2.857 256 HG21 THR 34 3HG2 THR 34 29.559 0.100 0.391 257 HG22 THR 34 1HG2 THR 34 29.169 -0.744 1.890 258 HG23 THR 34 2HG2 THR 34 30.545 -1.264 0.916 259 H SER 35 H SER 35 32.845 -0.709 0.978 260 HA SER 35 HA SER 35 32.848 -0.812 -1.967 261 HB2 SER 35 1HB SER 35 35.037 -1.962 -0.236 262 HB3 SER 35 2HB SER 35 35.057 -1.691 -1.978 263 HG SER 35 HG SER 35 34.700 0.639 -1.236 264 H ALA 36 H ALA 36 33.851 -3.302 -2.370 265 HA ALA 36 HA ALA 36 31.604 -4.955 -1.780 266 HB1 ALA 36 1HB ALA 36 34.082 -6.220 -2.772 267 HB2 ALA 36 2HB ALA 36 32.422 -6.360 -3.353 268 HB3 ALA 36 3HB ALA 36 33.389 -4.948 -3.778 269 H ASP 37 H ASP 37 34.697 -4.438 -0.312 270 HA ASP 37 HA ASP 37 35.136 -6.820 1.026 271 HB2 ASP 37 1HB ASP 37 35.795 -3.964 1.624 272 HB3 ASP 37 2HB ASP 37 36.102 -5.186 2.855 273 H GLU 38 H GLU 38 32.724 -4.402 1.581 274 HA GLU 38 HA GLU 38 31.950 -5.702 4.103 275 HB2 GLU 38 1HB GLU 38 30.814 -3.104 3.113 276 HB3 GLU 38 2HB GLU 38 30.897 -3.713 4.760 277 HG2 GLU 38 1HG GLU 38 33.250 -2.811 3.115 278 HG3 GLU 38 2HG GLU 38 32.451 -1.866 4.369 279 H VAL 39 H VAL 39 31.105 -5.373 0.833 280 HA VAL 39 HA VAL 39 28.283 -5.675 1.050 281 HB VAL 39 HB VAL 39 30.193 -6.172 -1.230 282 HG11 VAL 39 1HG1 VAL 39 27.219 -6.550 -1.087 283 HG12 VAL 39 2HG1 VAL 39 28.036 -6.188 -2.608 284 HG13 VAL 39 3HG1 VAL 39 28.444 -7.652 -1.713 285 HG21 VAL 39 3HG2 VAL 39 29.840 -4.039 -1.818 286 HG22 VAL 39 1HG2 VAL 39 28.112 -4.136 -1.480 287 HG23 VAL 39 2HG2 VAL 39 29.251 -3.829 -0.169 288 H GLN 40 H GLN 40 30.780 -7.990 -0.027 289 HA GLN 40 HA GLN 40 29.188 -10.248 -0.126 290 HB2 GLN 40 1HB GLN 40 31.379 -11.490 0.375 291 HB3 GLN 40 2HB GLN 40 31.329 -10.461 -1.050 292 HG2 GLN 40 1HG GLN 40 32.732 -8.894 -0.141 293 HG3 GLN 40 2HG GLN 40 32.312 -9.322 1.517 294 HE21 GLN 40 2HE2 GLN 40 32.760 -11.944 1.670 295 HE22 GLN 40 1HE2 GLN 40 34.417 -12.316 1.352 296 H ARG 41 H ARG 41 30.415 -8.562 2.626 297 HA ARG 41 HA ARG 41 29.986 -10.764 4.455 298 HB2 ARG 41 1HB ARG 41 30.408 -7.921 5.313 299 HB3 ARG 41 2HB ARG 41 30.909 -9.406 6.111 300 HG2 ARG 41 1HG ARG 41 32.098 -8.230 3.608 301 HG3 ARG 41 2HG ARG 41 32.828 -8.252 5.215 302 HD2 ARG 41 1HD ARG 41 32.090 -10.911 4.534 303 HD3 ARG 41 2HD ARG 41 32.971 -10.220 3.172 304 HE ARG 41 HE ARG 41 34.437 -9.581 5.411 305 HH11 ARG 41 1HH1 ARG 41 33.327 -12.495 3.863 306 HH12 ARG 41 2HH1 ARG 41 34.670 -13.448 4.402 307 HH21 ARG 41 1HH2 ARG 41 36.210 -10.825 6.128 308 HH22 ARG 41 2HH2 ARG 41 36.308 -12.497 5.691 309 H MET 42 H MET 42 28.290 -7.929 3.336 310 HA MET 42 HA MET 42 26.310 -7.977 5.418 311 HB2 MET 42 1HB MET 42 26.758 -5.862 4.405 312 HB3 MET 42 2HB MET 42 26.498 -6.508 2.790 313 HG2 MET 42 1HG MET 42 24.279 -6.256 2.906 314 HG3 MET 42 2HG MET 42 24.205 -6.778 4.588 315 HE1 MET 42 3HE MET 42 26.329 -4.295 5.941 316 HE2 MET 42 1HE MET 42 24.826 -3.709 6.656 317 HE3 MET 42 2HE MET 42 25.100 -5.442 6.477 318 H MET 43 H MET 43 26.461 -8.999 2.027 319 HA MET 43 HA MET 43 23.762 -9.955 1.986 320 HB2 MET 43 1HB MET 43 24.468 -10.997 -0.190 321 HB3 MET 43 2HB MET 43 24.703 -9.257 -0.093 322 HG2 MET 43 1HG MET 43 26.815 -9.533 -0.665 323 HG3 MET 43 2HG MET 43 27.083 -10.444 0.819 324 HE1 MET 43 3HE MET 43 24.663 -11.638 -2.093 325 HE2 MET 43 1HE MET 43 25.889 -10.643 -2.879 326 HE3 MET 43 2HE MET 43 25.839 -12.381 -3.179 327 H ALA 44 H ALA 44 26.832 -11.262 2.890 328 HA ALA 44 HA ALA 44 26.374 -13.998 2.564 329 HB1 ALA 44 1HB ALA 44 28.200 -12.331 4.162 330 HB2 ALA 44 2HB ALA 44 27.933 -13.967 4.765 331 HB3 ALA 44 3HB ALA 44 28.537 -13.719 3.127 332 H GLU 45 H GLU 45 25.272 -11.764 5.016 333 HA GLU 45 HA GLU 45 24.204 -13.931 6.652 334 HB2 GLU 45 1HB GLU 45 23.502 -12.052 8.169 335 HB3 GLU 45 2HB GLU 45 25.236 -12.192 7.914 336 HG2 GLU 45 1HG GLU 45 25.150 -10.375 6.288 337 HG3 GLU 45 2HG GLU 45 23.410 -10.236 6.536 338 H ILE 46 H ILE 46 23.171 -11.476 4.412 339 HA ILE 46 HA ILE 46 20.388 -11.618 5.048 340 HB ILE 46 HB ILE 46 21.793 -10.570 2.589 341 HG12 ILE 46 1HG1 ILE 46 20.488 -9.055 4.855 342 HG13 ILE 46 2HG1 ILE 46 22.210 -9.415 4.793 343 HG21 ILE 46 1HG2 ILE 46 19.651 -9.439 2.098 344 HG22 ILE 46 2HG2 ILE 46 19.540 -11.196 2.002 345 HG23 ILE 46 3HG2 ILE 46 18.902 -10.348 3.411 346 HD11 ILE 46 3HD1 ILE 46 20.749 -7.869 2.671 347 HD12 ILE 46 1HD1 ILE 46 21.588 -7.130 4.034 348 HD13 ILE 46 2HD1 ILE 46 22.491 -8.073 2.848 349 H ASP 47 H ASP 47 22.505 -13.206 2.726 350 HA ASP 47 HA ASP 47 20.580 -14.399 1.098 351 HB2 ASP 47 1HB ASP 47 23.354 -14.459 1.298 352 HB3 ASP 47 2HB ASP 47 22.872 -16.130 1.575 353 H THR 48 H THR 48 18.916 -15.565 1.800 354 HA THR 48 HA THR 48 18.932 -17.038 4.235 355 HB THR 48 HB THR 48 16.964 -17.170 1.941 356 HG1 THR 48 HG1 THR 48 17.042 -15.609 4.324 357 HG21 THR 48 3HG2 THR 48 15.547 -17.776 4.159 358 HG22 THR 48 1HG2 THR 48 17.103 -18.494 4.574 359 HG23 THR 48 2HG2 THR 48 16.270 -18.986 3.099 360 H ASP 49 H ASP 49 19.617 -17.820 0.913 361 HA ASP 49 HA ASP 49 19.942 -20.651 1.665 362 HB2 ASP 49 1HB ASP 49 19.978 -20.684 -1.060 363 HB3 ASP 49 2HB ASP 49 18.539 -20.956 -0.081 364 H GLY 50 H GLY 50 21.554 -17.810 0.784 365 HA2 GLY 50 1HA GLY 50 23.741 -17.339 0.269 366 HA3 GLY 50 2HA GLY 50 24.114 -18.852 1.080 367 H ASP 51 H ASP 51 23.157 -17.456 -2.025 368 HA ASP 51 HA ASP 51 24.542 -19.695 -3.348 369 HB2 ASP 51 1HB ASP 51 22.911 -19.851 -5.006 370 HB3 ASP 51 2HB ASP 51 21.954 -19.564 -3.555 371 H GLY 52 H GLY 52 25.203 -16.800 -2.521 372 HA2 GLY 52 1HA GLY 52 26.848 -15.397 -3.403 373 HA3 GLY 52 2HA GLY 52 26.659 -16.193 -4.958 374 H PHE 53 H PHE 53 23.643 -15.413 -3.815 375 HA PHE 53 HA PHE 53 23.642 -12.680 -4.820 376 HB2 PHE 53 1HB PHE 53 22.034 -14.910 -6.075 377 HB3 PHE 53 2HB PHE 53 21.716 -13.201 -6.349 378 HD1 PHE 53 HD2 PHE 53 24.074 -15.951 -6.931 379 HD2 PHE 53 HD1 PHE 53 23.121 -11.888 -7.767 380 HE1 PHE 53 HE2 PHE 53 25.727 -15.942 -8.754 381 HE2 PHE 53 HE1 PHE 53 24.772 -11.872 -9.592 382 HZ PHE 53 HZ PHE 53 26.078 -13.901 -10.086 383 H ILE 54 H ILE 54 21.829 -11.465 -4.187 384 HA ILE 54 HA ILE 54 20.304 -12.687 -1.991 385 HB ILE 54 HB ILE 54 20.987 -9.805 -2.560 386 HG12 ILE 54 1HG1 ILE 54 22.753 -11.146 -1.498 387 HG13 ILE 54 2HG1 ILE 54 22.123 -9.932 -0.391 388 HG21 ILE 54 1HG2 ILE 54 19.781 -9.882 -0.080 389 HG22 ILE 54 2HG2 ILE 54 19.064 -9.267 -1.569 390 HG23 ILE 54 3HG2 ILE 54 18.764 -10.931 -1.067 391 HD11 ILE 54 3HD1 ILE 54 22.286 -11.797 0.945 392 HD12 ILE 54 1HD1 ILE 54 20.597 -11.847 0.442 393 HD13 ILE 54 2HD1 ILE 54 21.782 -12.893 -0.342 394 H ASP 55 H ASP 55 18.431 -13.449 -2.768 395 HA ASP 55 HA ASP 55 17.039 -12.380 -4.982 396 HB2 ASP 55 1HB ASP 55 15.791 -14.041 -2.795 397 HB3 ASP 55 2HB ASP 55 15.335 -13.963 -4.495 398 H PHE 56 H PHE 56 14.435 -12.108 -4.354 399 HA PHE 56 HA PHE 56 14.397 -9.509 -3.091 400 HB2 PHE 56 1HB PHE 56 13.110 -10.161 -5.202 401 HB3 PHE 56 2HB PHE 56 12.008 -11.024 -4.135 402 HD1 PHE 56 HD1 PHE 56 11.144 -9.566 -2.088 403 HD2 PHE 56 HD2 PHE 56 12.573 -8.012 -5.784 404 HE1 PHE 56 HE1 PHE 56 9.895 -7.483 -1.691 405 HE2 PHE 56 HE2 PHE 56 11.328 -5.927 -5.392 406 HZ PHE 56 HZ PHE 56 9.987 -5.660 -3.344 407 H ASN 57 H ASN 57 13.149 -12.742 -2.446 408 HA ASN 57 HA ASN 57 11.515 -12.124 -0.256 409 HB2 ASN 57 1HB ASN 57 12.708 -14.539 -1.419 410 HB3 ASN 57 2HB ASN 57 12.455 -14.643 0.321 411 HD21 ASN 57 2HD2 ASN 57 10.799 -13.688 -2.659 412 HD22 ASN 57 1HD2 ASN 57 9.242 -14.266 -2.183 413 H GLU 58 H GLU 58 14.750 -13.628 -0.115 414 HA GLU 58 HA GLU 58 15.170 -13.329 2.600 415 HB2 GLU 58 1HB GLU 58 17.631 -13.369 2.006 416 HB3 GLU 58 2HB GLU 58 16.669 -14.702 1.380 417 HG2 GLU 58 1HG GLU 58 16.479 -13.107 -0.717 418 HG3 GLU 58 2HG GLU 58 17.983 -12.467 -0.058 419 H PHE 59 H PHE 59 15.512 -10.987 0.033 420 HA PHE 59 HA PHE 59 17.094 -9.063 1.237 421 HB2 PHE 59 1HB PHE 59 16.067 -9.113 -1.132 422 HB3 PHE 59 2HB PHE 59 14.675 -8.327 -0.394 423 HD1 PHE 59 HD1 PHE 59 18.388 -7.945 -0.242 424 HD2 PHE 59 HD2 PHE 59 14.598 -6.066 -0.712 425 HE1 PHE 59 HE1 PHE 59 19.503 -5.764 -0.479 426 HE2 PHE 59 HE2 PHE 59 15.706 -3.882 -0.950 427 HZ PHE 59 HZ PHE 59 18.162 -3.729 -0.834 428 H ILE 60 H ILE 60 13.620 -9.623 1.586 429 HA ILE 60 HA ILE 60 13.303 -7.396 3.400 430 HB ILE 60 HB ILE 60 11.254 -9.552 3.008 431 HG12 ILE 60 1HG1 ILE 60 11.857 -7.263 1.124 432 HG13 ILE 60 2HG1 ILE 60 12.001 -8.980 0.763 433 HG21 ILE 60 1HG2 ILE 60 10.981 -7.698 4.687 434 HG22 ILE 60 2HG2 ILE 60 10.913 -6.580 3.326 435 HG23 ILE 60 3HG2 ILE 60 9.688 -7.837 3.496 436 HD11 ILE 60 3HD1 ILE 60 9.922 -8.964 0.027 437 HD12 ILE 60 1HD1 ILE 60 9.365 -8.549 1.648 438 HD13 ILE 60 2HD1 ILE 60 9.744 -7.272 0.491 439 H SER 61 H SER 61 13.779 -10.845 3.591 440 HA SER 61 HA SER 61 12.894 -11.408 6.148 441 HB2 SER 61 1HB SER 61 13.628 -13.219 4.789 442 HB3 SER 61 2HB SER 61 15.229 -12.509 4.583 443 HG SER 61 HG SER 61 14.618 -14.277 6.327 444 H PHE 62 H PHE 62 16.070 -10.172 5.146 445 HA PHE 62 HA PHE 62 16.899 -9.859 7.909 446 HB2 PHE 62 1HB PHE 62 18.230 -10.177 5.435 447 HB3 PHE 62 2HB PHE 62 18.682 -8.590 6.049 448 HD1 PHE 62 HD1 PHE 62 18.212 -12.040 7.399 449 HD2 PHE 62 HD2 PHE 62 20.593 -8.514 7.301 450 HE1 PHE 62 HE1 PHE 62 19.833 -13.097 8.918 451 HE2 PHE 62 HE2 PHE 62 22.218 -9.565 8.820 452 HZ PHE 62 HZ PHE 62 21.840 -11.860 9.630 453 H CYS 63 H CYS 63 16.306 -7.758 5.102 454 HA CYS 63 HA CYS 63 16.843 -5.302 6.215 455 HB2 CYS 63 1HB CYS 63 16.327 -5.439 3.887 456 HB3 CYS 63 2HB CYS 63 14.732 -6.106 4.214 457 HG CYS 63 HG CYS 63 15.044 -3.237 3.319 458 H ASN 64 H ASN 64 13.951 -7.279 6.570 459 HA ASN 64 HA ASN 64 12.255 -5.433 7.771 460 HB2 ASN 64 1HB ASN 64 11.282 -7.486 7.170 461 HB3 ASN 64 2HB ASN 64 12.514 -8.420 8.014 462 HD21 ASN 64 2HD2 ASN 64 12.177 -9.002 10.069 463 HD22 ASN 64 1HD2 ASN 64 10.807 -8.536 11.013 464 H ALA 65 H ALA 65 14.891 -7.310 9.130 465 HA ALA 65 HA ALA 65 14.321 -6.760 11.857 466 HB1 ALA 65 1HB ALA 65 16.290 -8.207 10.379 467 HB2 ALA 65 2HB ALA 65 17.092 -7.184 11.571 468 HB3 ALA 65 3HB ALA 65 15.862 -8.338 12.085 469 H ASN 66 H ASN 66 15.647 -4.883 9.334 470 HA ASN 66 HA ASN 66 16.750 -2.955 11.268 471 HB2 ASN 66 1HB ASN 66 17.419 -3.495 8.378 472 HB3 ASN 66 2HB ASN 66 17.903 -2.005 9.183 473 HD21 ASN 66 2HD2 ASN 66 17.852 -5.449 10.048 474 HD22 ASN 66 1HD2 ASN 66 19.495 -5.513 10.577 475 HA PRO 67 HA PRO 67 12.861 -1.026 9.702 476 HB2 PRO 67 1HB PRO 67 12.202 0.094 12.086 477 HB3 PRO 67 2HB PRO 67 11.774 -1.566 11.653 478 HG2 PRO 67 1HG PRO 67 14.038 -0.572 13.342 479 HG3 PRO 67 2HG PRO 67 12.958 -1.952 13.618 480 HD2 PRO 67 1HD PRO 67 15.462 -2.237 12.628 481 HD3 PRO 67 2HD PRO 67 14.128 -3.317 12.175 482 H GLY 68 H GLY 68 15.642 0.155 11.454 483 HA2 GLY 68 1HA GLY 68 15.031 2.942 11.035 484 HA3 GLY 68 2HA GLY 68 16.528 2.286 11.679 485 H LEU 69 H LEU 69 16.509 0.465 9.185 486 HA LEU 69 HA LEU 69 18.009 2.338 7.535 487 HB2 LEU 69 1HB LEU 69 18.980 0.156 8.145 488 HB3 LEU 69 2HB LEU 69 17.675 -0.648 7.274 489 HG LEU 69 HG LEU 69 19.573 1.236 5.903 490 HD11 LEU 69 1HD1 LEU 69 20.070 -1.473 6.894 491 HD12 LEU 69 2HD1 LEU 69 21.202 -0.224 6.378 492 HD13 LEU 69 3HD1 LEU 69 20.413 -1.248 5.179 493 HD21 LEU 69 3HD2 LEU 69 18.783 -0.760 4.179 494 HD22 LEU 69 1HD2 LEU 69 18.105 0.866 4.265 495 HD23 LEU 69 2HD2 LEU 69 17.334 -0.458 5.139 496 H MET 70 H MET 70 15.376 -0.025 7.147 497 HA MET 70 HA MET 70 14.799 0.378 4.477 498 HB2 MET 70 1HB MET 70 12.460 -0.306 5.073 499 HB3 MET 70 2HB MET 70 13.712 -1.388 5.668 500 HG2 MET 70 1HG MET 70 13.497 -0.558 7.879 501 HG3 MET 70 2HG MET 70 12.468 0.769 7.346 502 HE1 MET 70 3HE MET 70 12.611 -2.796 6.197 503 HE2 MET 70 1HE MET 70 12.377 -3.356 7.852 504 HE3 MET 70 2HE MET 70 11.077 -3.524 6.673 505 H LYS 71 H LYS 71 14.230 2.471 7.167 506 HA LYS 71 HA LYS 71 12.271 4.107 5.828 507 HB2 LYS 71 1HB LYS 71 13.823 4.450 8.394 508 HB3 LYS 71 2HB LYS 71 12.676 5.643 7.799 509 HG2 LYS 71 1HG LYS 71 10.880 4.015 7.926 510 HG3 LYS 71 2HG LYS 71 12.021 2.779 8.461 511 HD2 LYS 71 1HD LYS 71 12.526 4.687 10.286 512 HD3 LYS 71 2HD LYS 71 10.830 5.040 9.946 513 HE2 LYS 71 1HE LYS 71 10.784 2.330 10.183 514 HE3 LYS 71 2HE LYS 71 12.049 2.758 11.334 515 HZ1 LYS 71 3HZ LYS 71 10.308 4.501 12.106 516 HZ2 LYS 71 1HZ LYS 71 10.174 2.895 12.621 517 HZ3 LYS 71 2HZ LYS 71 9.197 3.464 11.363 518 H ASP 72 H ASP 72 15.733 4.083 6.260 519 HA ASP 72 HA ASP 72 16.064 6.764 5.215 520 HB2 ASP 72 1HB ASP 72 17.670 4.912 6.689 521 HB3 ASP 72 2HB ASP 72 18.535 5.363 5.223 522 H VAL 73 H VAL 73 16.454 3.441 4.114 523 HA VAL 73 HA VAL 73 17.656 4.109 1.617 524 HB VAL 73 HB VAL 73 17.954 1.889 2.552 525 HG11 VAL 73 1HG1 VAL 73 15.220 0.985 1.917 526 HG12 VAL 73 2HG1 VAL 73 16.301 0.507 3.227 527 HG13 VAL 73 3HG1 VAL 73 15.384 2.010 3.342 528 HG21 VAL 73 3HG2 VAL 73 18.128 2.073 0.154 529 HG22 VAL 73 1HG2 VAL 73 17.355 0.541 0.562 530 HG23 VAL 73 2HG2 VAL 73 16.383 1.891 -0.023 531 H ALA 74 H ALA 74 14.353 3.585 2.712 532 HA ALA 74 HA ALA 74 13.222 3.667 0.075 533 HB1 ALA 74 1HB ALA 74 11.685 4.134 2.608 534 HB2 ALA 74 2HB ALA 74 11.142 3.397 1.100 535 HB3 ALA 74 3HB ALA 74 12.253 2.526 2.157 536 H LYS 75 H LYS 75 14.728 5.994 1.708 537 HA LYS 75 HA LYS 75 12.810 8.134 1.188 538 HB2 LYS 75 1HB LYS 75 13.958 9.398 2.692 539 HB3 LYS 75 2HB LYS 75 14.478 7.816 3.258 540 HG2 LYS 75 1HG LYS 75 16.450 8.125 1.629 541 HG3 LYS 75 2HG LYS 75 15.990 9.829 1.642 542 HD2 LYS 75 1HD LYS 75 16.169 8.579 4.295 543 HD3 LYS 75 2HD LYS 75 17.697 8.673 3.416 544 HE2 LYS 75 1HE LYS 75 16.837 11.147 2.968 545 HE3 LYS 75 2HE LYS 75 15.964 10.843 4.469 546 HZ1 LYS 75 3HZ LYS 75 18.317 10.018 5.230 547 HZ2 LYS 75 1HZ LYS 75 17.911 11.659 5.282 548 HZ3 LYS 75 2HZ LYS 75 18.847 11.060 4.007 549 H VAL 76 H VAL 76 15.766 6.783 -0.055 550 HA VAL 76 HA VAL 76 15.718 8.786 -2.214 551 HB VAL 76 HB VAL 76 17.640 9.196 -0.719 552 HG11 VAL 76 1HG1 VAL 76 19.095 6.801 -1.597 553 HG12 VAL 76 2HG1 VAL 76 19.081 7.613 -0.030 554 HG13 VAL 76 3HG1 VAL 76 17.783 6.498 -0.459 555 HG21 VAL 76 3HG2 VAL 76 19.258 8.351 -2.883 556 HG22 VAL 76 1HG2 VAL 76 17.687 8.813 -3.540 557 HG23 VAL 76 2HG2 VAL 76 18.608 9.959 -2.566 558 H PHE 77 H PHE 77 16.339 5.482 -1.223 559 HA PHE 77 HA PHE 77 16.698 4.663 -4.012 560 HB2 PHE 77 1HB PHE 77 17.405 3.498 -1.375 561 HB3 PHE 77 2HB PHE 77 16.986 2.361 -2.652 562 HD1 PHE 77 HD2 PHE 77 18.682 5.607 -3.124 563 HD2 PHE 77 HD1 PHE 77 19.093 1.373 -3.005 564 HE1 PHE 77 HE2 PHE 77 20.956 5.806 -4.041 565 HE2 PHE 77 HE1 PHE 77 21.368 1.564 -3.921 566 HZ PHE 77 HZ PHE 77 22.303 3.783 -4.441 Start of MODEL 11 1 H1 ALA 1 H ALA 1 3.993 -3.450 3.086 2 HA ALA 1 HA ALA 1 2.214 -2.486 0.948 3 HB1 ALA 1 1HB ALA 1 4.081 -0.934 2.643 4 HB2 ALA 1 2HB ALA 1 4.021 -0.527 0.927 5 HB3 ALA 1 3HB ALA 1 2.553 -0.456 1.902 6 H ASP 2 H ASP 2 3.784 -1.531 -0.880 7 HA ASP 2 HA ASP 2 5.728 -3.672 -1.435 8 HB2 ASP 2 1HB ASP 2 4.207 -1.955 -3.408 9 HB3 ASP 2 2HB ASP 2 5.313 -3.265 -3.812 10 H ASP 3 H ASP 3 6.528 -1.507 0.113 11 HA ASP 3 HA ASP 3 7.739 0.544 -1.451 12 HB2 ASP 3 1HB ASP 3 8.714 -0.215 1.283 13 HB3 ASP 3 2HB ASP 3 8.582 1.383 0.555 14 H MET 4 H MET 4 8.748 -2.602 -0.315 15 HA MET 4 HA MET 4 11.529 -2.241 -0.847 16 HB2 MET 4 1HB MET 4 9.897 -4.766 -0.532 17 HB3 MET 4 2HB MET 4 11.654 -4.705 -0.593 18 HG2 MET 4 1HG MET 4 10.081 -3.189 1.460 19 HG3 MET 4 2HG MET 4 10.558 -4.869 1.693 20 HE1 MET 4 3HE MET 4 13.328 -5.459 2.562 21 HE2 MET 4 1HE MET 4 12.942 -5.531 0.842 22 HE3 MET 4 2HE MET 4 14.393 -4.689 1.385 23 H GLU 5 H GLU 5 8.775 -3.008 -2.766 24 HA GLU 5 HA GLU 5 10.035 -4.420 -4.859 25 HB2 GLU 5 1HB GLU 5 7.645 -4.479 -4.682 26 HB3 GLU 5 2HB GLU 5 7.536 -2.728 -4.796 27 HG2 GLU 5 1HG GLU 5 8.238 -2.782 -7.093 28 HG3 GLU 5 2HG GLU 5 8.529 -4.518 -7.001 29 H ARG 6 H ARG 6 9.313 -0.968 -4.436 30 HA ARG 6 HA ARG 6 10.463 -0.182 -6.918 31 HB2 ARG 6 1HB ARG 6 10.362 2.123 -5.919 32 HB3 ARG 6 2HB ARG 6 8.831 1.258 -5.938 33 HG2 ARG 6 1HG ARG 6 9.011 0.764 -3.600 34 HG3 ARG 6 2HG ARG 6 10.643 1.433 -3.543 35 HD2 ARG 6 1HD ARG 6 8.361 3.131 -4.460 36 HD3 ARG 6 2HD ARG 6 8.619 2.862 -2.737 37 HE ARG 6 HE ARG 6 11.005 3.693 -4.059 38 HH11 ARG 6 1HH1 ARG 6 8.001 4.833 -2.719 39 HH12 ARG 6 2HH1 ARG 6 8.600 6.425 -2.392 40 HH21 ARG 6 1HH2 ARG 6 11.806 5.786 -3.634 41 HH22 ARG 6 2HH2 ARG 6 10.764 6.967 -2.914 42 H ILE 7 H ILE 7 11.659 -0.425 -3.616 43 HA ILE 7 HA ILE 7 14.146 0.872 -4.114 44 HB ILE 7 HB ILE 7 13.344 -1.027 -1.907 45 HG12 ILE 7 1HG1 ILE 7 13.776 1.906 -1.543 46 HG13 ILE 7 2HG1 ILE 7 12.276 1.368 -2.292 47 HG21 ILE 7 1HG2 ILE 7 15.898 0.266 -2.565 48 HG22 ILE 7 2HG2 ILE 7 15.376 0.446 -0.891 49 HG23 ILE 7 3HG2 ILE 7 15.565 -1.163 -1.587 50 HD11 ILE 7 3HD1 ILE 7 13.163 1.204 0.490 51 HD12 ILE 7 1HD1 ILE 7 11.536 1.278 -0.186 52 HD13 ILE 7 2HD1 ILE 7 12.399 -0.259 -0.129 53 H PHE 8 H PHE 8 13.017 -2.444 -4.292 54 HA PHE 8 HA PHE 8 15.501 -3.737 -4.437 55 HB2 PHE 8 1HB PHE 8 13.303 -4.873 -4.108 56 HB3 PHE 8 2HB PHE 8 12.934 -4.570 -5.803 57 HD1 PHE 8 HD2 PHE 8 14.064 -5.792 -7.561 58 HD2 PHE 8 HD1 PHE 8 14.929 -6.533 -3.460 59 HE1 PHE 8 HE2 PHE 8 15.195 -7.886 -8.182 60 HE2 PHE 8 HE1 PHE 8 16.063 -8.628 -4.075 61 HZ PHE 8 HZ PHE 8 16.196 -9.308 -6.438 62 H LYS 9 H LYS 9 13.754 -1.856 -6.750 63 HA LYS 9 HA LYS 9 14.942 -2.850 -9.116 64 HB2 LYS 9 1HB LYS 9 13.994 -0.018 -8.718 65 HB3 LYS 9 2HB LYS 9 14.019 -0.954 -10.207 66 HG2 LYS 9 1HG LYS 9 12.217 -1.373 -7.833 67 HG3 LYS 9 2HG LYS 9 11.761 -0.777 -9.431 68 HD2 LYS 9 1HD LYS 9 12.852 -3.524 -8.817 69 HD3 LYS 9 2HD LYS 9 11.162 -3.135 -9.142 70 HE2 LYS 9 1HE LYS 9 13.475 -2.783 -11.046 71 HE3 LYS 9 2HE LYS 9 12.243 -4.041 -11.128 72 HZ1 LYS 9 3HZ LYS 9 10.625 -2.059 -11.229 73 HZ2 LYS 9 1HZ LYS 9 11.489 -2.475 -12.623 74 HZ3 LYS 9 2HZ LYS 9 11.984 -1.159 -11.683 75 H ARG 10 H ARG 10 16.053 -0.709 -6.641 76 HA ARG 10 HA ARG 10 18.185 0.399 -8.263 77 HB2 ARG 10 1HB ARG 10 17.810 0.659 -5.279 78 HB3 ARG 10 2HB ARG 10 18.769 1.691 -6.331 79 HG2 ARG 10 1HG ARG 10 15.774 1.425 -6.464 80 HG3 ARG 10 2HG ARG 10 16.638 2.714 -5.624 81 HD2 ARG 10 1HD ARG 10 17.604 3.482 -7.686 82 HD3 ARG 10 2HD ARG 10 16.937 2.104 -8.560 83 HE ARG 10 HE ARG 10 14.735 3.287 -7.561 84 HH11 ARG 10 1HH1 ARG 10 17.462 4.506 -9.349 85 HH12 ARG 10 2HH1 ARG 10 16.558 5.767 -10.119 86 HH21 ARG 10 1HH2 ARG 10 13.535 4.944 -8.569 87 HH22 ARG 10 2HH2 ARG 10 14.325 6.016 -9.675 88 H PHE 11 H PHE 11 17.989 -1.596 -5.313 89 HA PHE 11 HA PHE 11 20.699 -2.188 -5.096 90 HB2 PHE 11 1HB PHE 11 18.230 -3.677 -4.225 91 HB3 PHE 11 2HB PHE 11 19.845 -4.295 -3.893 92 HD1 PHE 11 HD1 PHE 11 17.699 -1.299 -3.413 93 HD2 PHE 11 HD2 PHE 11 20.994 -3.597 -2.006 94 HE1 PHE 11 HE1 PHE 11 17.819 0.112 -1.401 95 HE2 PHE 11 HE2 PHE 11 21.119 -2.190 0.009 96 HZ PHE 11 HZ PHE 11 19.530 -0.333 0.313 97 H ASP 12 H ASP 12 18.251 -3.531 -7.175 98 HA ASP 12 HA ASP 12 20.007 -5.695 -8.037 99 HB2 ASP 12 1HB ASP 12 17.682 -6.285 -7.703 100 HB3 ASP 12 2HB ASP 12 17.161 -4.997 -8.785 101 H THR 13 H THR 13 21.430 -3.749 -8.757 102 HA THR 13 HA THR 13 20.815 -2.211 -10.996 103 HB THR 13 HB THR 13 23.477 -3.258 -10.028 104 HG1 THR 13 HG1 THR 13 22.326 -0.652 -9.913 105 HG21 THR 13 3HG2 THR 13 22.911 -1.223 -12.187 106 HG22 THR 13 1HG2 THR 13 23.672 -2.799 -12.406 107 HG23 THR 13 2HG2 THR 13 24.496 -1.542 -11.483 108 H ASN 14 H ASN 14 21.529 -5.568 -10.744 109 HA ASN 14 HA ASN 14 22.314 -5.893 -13.501 110 HB2 ASN 14 1HB ASN 14 23.286 -7.451 -12.001 111 HB3 ASN 14 2HB ASN 14 21.732 -7.826 -11.262 112 HD21 ASN 14 2HD2 ASN 14 22.320 -7.523 -14.701 113 HD22 ASN 14 1HD2 ASN 14 22.034 -9.182 -15.088 114 H GLY 15 H GLY 15 19.394 -5.514 -11.870 115 HA2 GLY 15 1HA GLY 15 17.194 -5.878 -12.436 116 HA3 GLY 15 2HA GLY 15 17.758 -5.588 -14.075 117 H ASP 16 H ASP 16 18.472 -8.277 -11.873 118 HA ASP 16 HA ASP 16 17.284 -10.092 -13.869 119 HB2 ASP 16 1HB ASP 16 19.156 -11.324 -13.872 120 HB3 ASP 16 2HB ASP 16 19.923 -10.013 -12.979 121 H GLY 17 H GLY 17 17.129 -8.942 -10.699 122 HA2 GLY 17 1HA GLY 17 15.198 -9.505 -9.367 123 HA3 GLY 17 2HA GLY 17 15.305 -11.145 -9.989 124 H LYS 18 H LYS 18 18.310 -9.779 -9.183 125 HA LYS 18 HA LYS 18 18.264 -10.675 -6.422 126 HB2 LYS 18 1HB LYS 18 20.279 -11.888 -8.308 127 HB3 LYS 18 2HB LYS 18 19.969 -12.322 -6.632 128 HG2 LYS 18 1HG LYS 18 17.757 -13.170 -7.275 129 HG3 LYS 18 2HG LYS 18 18.109 -12.770 -8.958 130 HD2 LYS 18 1HD LYS 18 20.211 -14.361 -7.734 131 HD3 LYS 18 2HD LYS 18 18.644 -15.173 -7.695 132 HE2 LYS 18 1HE LYS 18 18.723 -14.149 -10.237 133 HE3 LYS 18 2HE LYS 18 20.407 -14.586 -9.953 134 HZ1 LYS 18 3HZ LYS 18 18.206 -16.474 -9.379 135 HZ2 LYS 18 1HZ LYS 18 19.848 -16.808 -9.613 136 HZ3 LYS 18 2HZ LYS 18 18.883 -16.352 -10.925 137 H ILE 19 H ILE 19 20.249 -10.133 -5.267 138 HA ILE 19 HA ILE 19 21.666 -7.885 -6.542 139 HB ILE 19 HB ILE 19 21.484 -8.180 -3.569 140 HG12 ILE 19 1HG1 ILE 19 19.174 -8.326 -4.261 141 HG13 ILE 19 2HG1 ILE 19 19.466 -6.712 -3.624 142 HG21 ILE 19 1HG2 ILE 19 22.236 -6.115 -5.528 143 HG22 ILE 19 2HG2 ILE 19 21.342 -5.547 -4.119 144 HG23 ILE 19 3HG2 ILE 19 22.857 -6.424 -3.907 145 HD11 ILE 19 3HD1 ILE 19 19.970 -6.591 -6.386 146 HD12 ILE 19 1HD1 ILE 19 18.467 -7.489 -6.176 147 HD13 ILE 19 2HD1 ILE 19 18.633 -5.873 -5.488 148 H SER 20 H SER 20 23.738 -8.239 -6.944 149 HA SER 20 HA SER 20 25.140 -10.328 -5.427 150 HB2 SER 20 1HB SER 20 24.930 -10.043 -8.125 151 HB3 SER 20 2HB SER 20 26.447 -9.197 -7.821 152 HG SER 20 HG SER 20 27.345 -11.069 -7.588 153 H LEU 21 H LEU 21 27.745 -9.655 -5.898 154 HA LEU 21 HA LEU 21 28.187 -7.636 -3.941 155 HB2 LEU 21 1HB LEU 21 30.315 -8.675 -5.771 156 HB3 LEU 21 2HB LEU 21 30.448 -8.174 -4.086 157 HG LEU 21 HG LEU 21 29.279 -10.735 -5.158 158 HD11 LEU 21 1HD1 LEU 21 31.196 -11.705 -4.558 159 HD12 LEU 21 2HD1 LEU 21 31.271 -10.820 -3.035 160 HD13 LEU 21 3HD1 LEU 21 31.865 -10.073 -4.518 161 HD21 LEU 21 3HD2 LEU 21 27.938 -10.788 -3.387 162 HD22 LEU 21 1HD2 LEU 21 28.629 -9.297 -2.747 163 HD23 LEU 21 2HD2 LEU 21 29.379 -10.849 -2.371 164 H SER 22 H SER 22 28.046 -7.671 -7.401 165 HA SER 22 HA SER 22 29.414 -5.153 -7.734 166 HB2 SER 22 1HB SER 22 28.873 -7.264 -9.414 167 HB3 SER 22 2HB SER 22 27.716 -6.049 -9.955 168 HG SER 22 HG SER 22 29.410 -5.370 -11.029 169 H GLU 23 H GLU 23 26.116 -6.280 -7.446 170 HA GLU 23 HA GLU 23 25.003 -3.698 -8.152 171 HB2 GLU 23 1HB GLU 23 23.549 -6.077 -6.996 172 HB3 GLU 23 2HB GLU 23 22.854 -4.720 -7.872 173 HG2 GLU 23 1HG GLU 23 23.756 -5.447 -9.921 174 HG3 GLU 23 2HG GLU 23 24.825 -6.602 -9.127 175 H LEU 24 H LEU 24 24.942 -5.793 -5.265 176 HA LEU 24 HA LEU 24 23.703 -4.109 -3.492 177 HB2 LEU 24 1HB LEU 24 24.637 -6.510 -3.205 178 HB3 LEU 24 2HB LEU 24 26.093 -5.696 -2.636 179 HG LEU 24 HG LEU 24 23.470 -5.032 -1.375 180 HD11 LEU 24 1HD1 LEU 24 24.977 -7.184 -0.079 181 HD12 LEU 24 2HD1 LEU 24 24.176 -7.648 -1.579 182 HD13 LEU 24 3HD1 LEU 24 23.237 -6.958 -0.255 183 HD21 LEU 24 3HD2 LEU 24 25.893 -4.021 -0.986 184 HD22 LEU 24 1HD2 LEU 24 26.023 -5.413 0.089 185 HD23 LEU 24 2HD2 LEU 24 24.740 -4.227 0.333 186 H THR 25 H THR 25 27.194 -4.269 -4.168 187 HA THR 25 HA THR 25 28.097 -2.342 -2.416 188 HB THR 25 HB THR 25 29.589 -3.732 -3.806 189 HG1 THR 25 HG1 THR 25 30.447 -1.841 -2.868 190 HG21 THR 25 3HG2 THR 25 28.125 -3.164 -5.916 191 HG22 THR 25 1HG2 THR 25 29.849 -3.496 -6.081 192 HG23 THR 25 2HG2 THR 25 29.267 -1.831 -6.083 193 H ASP 26 H ASP 26 26.669 -1.907 -5.618 194 HA ASP 26 HA ASP 26 27.154 0.801 -5.988 195 HB2 ASP 26 1HB ASP 26 24.646 -0.687 -6.793 196 HB3 ASP 26 2HB ASP 26 25.268 0.793 -7.519 197 H ALA 27 H ALA 27 24.951 -0.786 -3.839 198 HA ALA 27 HA ALA 27 23.397 1.605 -3.324 199 HB1 ALA 27 1HB ALA 27 22.970 -1.144 -2.998 200 HB2 ALA 27 2HB ALA 27 22.993 -0.461 -1.372 201 HB3 ALA 27 3HB ALA 27 21.874 0.173 -2.579 202 H LEU 28 H LEU 28 25.379 -0.556 -1.284 203 HA LEU 28 HA LEU 28 25.513 1.134 0.931 204 HB2 LEU 28 1HB LEU 28 27.700 -0.752 0.095 205 HB3 LEU 28 2HB LEU 28 27.272 -0.244 1.727 206 HG LEU 28 HG LEU 28 25.782 -2.147 -0.067 207 HD11 LEU 28 1HD1 LEU 28 26.103 -3.231 2.451 208 HD12 LEU 28 2HD1 LEU 28 27.626 -2.391 2.159 209 HD13 LEU 28 3HD1 LEU 28 27.060 -3.610 1.018 210 HD21 LEU 28 3HD2 LEU 28 24.042 -0.914 0.892 211 HD22 LEU 28 1HD2 LEU 28 24.893 -0.734 2.427 212 HD23 LEU 28 2HD2 LEU 28 24.232 -2.303 1.964 213 H ARG 29 H ARG 29 27.107 1.321 -2.100 214 HA ARG 29 HA ARG 29 29.231 3.045 -1.121 215 HB2 ARG 29 1HB ARG 29 30.153 2.935 -3.284 216 HB3 ARG 29 2HB ARG 29 29.490 1.331 -2.998 217 HG2 ARG 29 1HG ARG 29 28.686 1.662 -5.084 218 HG3 ARG 29 2HG ARG 29 27.375 2.424 -4.181 219 HD2 ARG 29 1HD ARG 29 27.800 4.398 -5.111 220 HD3 ARG 29 2HD ARG 29 29.499 4.305 -4.649 221 HE ARG 29 HE ARG 29 28.373 3.739 -7.228 222 HH11 ARG 29 1HH1 ARG 29 31.029 3.100 -5.070 223 HH12 ARG 29 2HH1 ARG 29 32.130 2.681 -6.341 224 HH21 ARG 29 1HH2 ARG 29 29.813 3.190 -8.909 225 HH22 ARG 29 2HH2 ARG 29 31.438 2.733 -8.524 226 H THR 30 H THR 30 26.077 3.307 -2.466 227 HA THR 30 HA THR 30 26.434 6.068 -3.302 228 HB THR 30 HB THR 30 24.009 4.265 -3.326 229 HG1 THR 30 HG1 THR 30 24.449 4.076 -5.461 230 HG21 THR 30 3HG2 THR 30 23.308 6.580 -2.992 231 HG22 THR 30 1HG2 THR 30 22.906 6.038 -4.620 232 HG23 THR 30 2HG2 THR 30 24.298 7.090 -4.359 233 H LEU 31 H LEU 31 25.124 4.252 -0.630 234 HA LEU 31 HA LEU 31 24.147 6.744 0.592 235 HB2 LEU 31 1HB LEU 31 23.533 4.079 1.756 236 HB3 LEU 31 2HB LEU 31 22.568 5.554 1.745 237 HG LEU 31 HG LEU 31 22.880 3.519 -0.448 238 HD11 LEU 31 1HD1 LEU 31 20.582 3.160 -0.193 239 HD12 LEU 31 2HD1 LEU 31 20.362 4.642 0.737 240 HD13 LEU 31 3HD1 LEU 31 21.199 3.267 1.456 241 HD21 LEU 31 3HD2 LEU 31 21.080 5.708 -1.037 242 HD22 LEU 31 1HD2 LEU 31 22.355 4.997 -2.026 243 HD23 LEU 31 2HD2 LEU 31 22.747 6.259 -0.857 244 H GLY 32 H GLY 32 26.513 4.263 0.806 245 HA2 GLY 32 1HA GLY 32 27.388 5.357 3.409 246 HA3 GLY 32 2HA GLY 32 27.527 3.652 3.009 247 H SER 33 H SER 33 28.264 4.433 0.188 248 HA SER 33 HA SER 33 30.129 4.875 -1.047 249 HB2 SER 33 1HB SER 33 30.089 6.980 0.563 250 HB3 SER 33 2HB SER 33 31.522 6.204 1.238 251 HG SER 33 HG SER 33 32.567 6.977 -0.399 252 H THR 34 H THR 34 29.830 2.505 0.598 253 HA THR 34 HA THR 34 32.520 1.884 1.517 254 HB THR 34 HB THR 34 30.319 1.130 2.661 255 HG1 THR 34 HG1 THR 34 32.662 0.310 2.867 256 HG21 THR 34 3HG2 THR 34 29.573 0.119 0.371 257 HG22 THR 34 1HG2 THR 34 29.206 -0.737 1.868 258 HG23 THR 34 2HG2 THR 34 30.566 -1.251 0.868 259 H SER 35 H SER 35 32.863 -0.721 0.931 260 HA SER 35 HA SER 35 32.853 -0.827 -2.014 261 HB2 SER 35 1HB SER 35 35.049 -2.036 -0.344 262 HB3 SER 35 2HB SER 35 35.063 -1.638 -2.063 263 HG SER 35 HG SER 35 36.118 0.036 -1.239 264 H ALA 36 H ALA 36 33.824 -3.312 -2.442 265 HA ALA 36 HA ALA 36 31.585 -4.960 -1.825 266 HB1 ALA 36 1HB ALA 36 34.013 -6.289 -2.815 267 HB2 ALA 36 2HB ALA 36 32.363 -6.318 -3.440 268 HB3 ALA 36 3HB ALA 36 33.422 -4.958 -3.810 269 H ASP 37 H ASP 37 34.691 -4.454 -0.379 270 HA ASP 37 HA ASP 37 35.123 -6.838 0.961 271 HB2 ASP 37 1HB ASP 37 35.763 -3.982 1.658 272 HB3 ASP 37 2HB ASP 37 36.195 -5.300 2.744 273 H GLU 38 H GLU 38 32.739 -4.394 1.532 274 HA GLU 38 HA GLU 38 31.975 -5.681 4.063 275 HB2 GLU 38 1HB GLU 38 30.853 -3.073 3.085 276 HB3 GLU 38 2HB GLU 38 30.957 -3.680 4.732 277 HG2 GLU 38 1HG GLU 38 33.290 -2.800 3.045 278 HG3 GLU 38 2HG GLU 38 32.521 -1.849 4.315 279 H VAL 39 H VAL 39 31.122 -5.392 0.802 280 HA VAL 39 HA VAL 39 28.291 -5.648 1.045 281 HB VAL 39 HB VAL 39 30.176 -6.159 -1.251 282 HG11 VAL 39 1HG1 VAL 39 27.198 -6.509 -1.091 283 HG12 VAL 39 2HG1 VAL 39 28.020 -6.178 -2.617 284 HG13 VAL 39 3HG1 VAL 39 28.409 -7.635 -1.703 285 HG21 VAL 39 3HG2 VAL 39 29.821 -4.027 -1.847 286 HG22 VAL 39 1HG2 VAL 39 28.099 -4.113 -1.474 287 HG23 VAL 39 2HG2 VAL 39 29.267 -3.810 -0.187 288 H GLN 40 H GLN 40 30.763 -7.985 -0.041 289 HA GLN 40 HA GLN 40 29.149 -10.229 -0.127 290 HB2 GLN 40 1HB GLN 40 31.337 -11.488 0.360 291 HB3 GLN 40 2HB GLN 40 31.277 -10.468 -1.071 292 HG2 GLN 40 1HG GLN 40 32.703 -8.907 -0.192 293 HG3 GLN 40 2HG GLN 40 32.296 -9.314 1.474 294 HE21 GLN 40 2HE2 GLN 40 32.725 -11.939 1.649 295 HE22 GLN 40 1HE2 GLN 40 34.376 -12.326 1.318 296 H ARG 41 H ARG 41 30.402 -8.545 2.610 297 HA ARG 41 HA ARG 41 29.982 -10.741 4.447 298 HB2 ARG 41 1HB ARG 41 30.420 -7.898 5.294 299 HB3 ARG 41 2HB ARG 41 30.921 -9.381 6.094 300 HG2 ARG 41 1HG ARG 41 32.100 -8.204 3.587 301 HG3 ARG 41 2HG ARG 41 32.842 -8.252 5.187 302 HD2 ARG 41 1HD ARG 41 32.267 -10.879 4.777 303 HD3 ARG 41 2HD ARG 41 32.626 -10.341 3.137 304 HE ARG 41 HE ARG 41 34.823 -10.266 3.723 305 HH11 ARG 41 1HH1 ARG 41 32.906 -10.009 6.618 306 HH12 ARG 41 2HH1 ARG 41 34.274 -10.023 7.681 307 HH21 ARG 41 1HH2 ARG 41 36.632 -10.285 5.113 308 HH22 ARG 41 2HH2 ARG 41 36.393 -10.179 6.824 309 H MET 42 H MET 42 28.262 -7.951 3.290 310 HA MET 42 HA MET 42 26.302 -7.975 5.402 311 HB2 MET 42 1HB MET 42 26.745 -5.861 4.390 312 HB3 MET 42 2HB MET 42 26.484 -6.505 2.774 313 HG2 MET 42 1HG MET 42 24.262 -6.262 2.896 314 HG3 MET 42 2HG MET 42 24.194 -6.772 4.581 315 HE1 MET 42 3HE MET 42 26.276 -4.305 5.963 316 HE2 MET 42 1HE MET 42 24.763 -3.694 6.633 317 HE3 MET 42 2HE MET 42 25.017 -5.431 6.472 318 H MET 43 H MET 43 26.419 -8.972 1.999 319 HA MET 43 HA MET 43 23.726 -9.933 1.976 320 HB2 MET 43 1HB MET 43 24.417 -10.973 -0.206 321 HB3 MET 43 2HB MET 43 24.658 -9.234 -0.107 322 HG2 MET 43 1HG MET 43 26.772 -9.505 -0.674 323 HG3 MET 43 2HG MET 43 27.037 -10.448 0.791 324 HE1 MET 43 3HE MET 43 24.602 -11.621 -2.155 325 HE2 MET 43 1HE MET 43 25.796 -10.537 -2.870 326 HE3 MET 43 2HE MET 43 25.813 -12.255 -3.271 327 H ALA 44 H ALA 44 26.788 -11.239 2.887 328 HA ALA 44 HA ALA 44 26.327 -13.978 2.552 329 HB1 ALA 44 1HB ALA 44 28.121 -12.341 4.259 330 HB2 ALA 44 2HB ALA 44 27.921 -14.046 4.666 331 HB3 ALA 44 3HB ALA 44 28.510 -13.583 3.069 332 H GLU 45 H GLU 45 25.247 -11.743 5.015 333 HA GLU 45 HA GLU 45 24.177 -13.909 6.650 334 HB2 GLU 45 1HB GLU 45 23.489 -12.026 8.173 335 HB3 GLU 45 2HB GLU 45 25.221 -12.183 7.915 336 HG2 GLU 45 1HG GLU 45 25.155 -10.361 6.298 337 HG3 GLU 45 2HG GLU 45 23.416 -10.208 6.537 338 H ILE 46 H ILE 46 23.150 -11.477 4.393 339 HA ILE 46 HA ILE 46 20.367 -11.593 5.052 340 HB ILE 46 HB ILE 46 21.765 -10.557 2.584 341 HG12 ILE 46 1HG1 ILE 46 20.484 -9.030 4.856 342 HG13 ILE 46 2HG1 ILE 46 22.203 -9.401 4.783 343 HG21 ILE 46 1HG2 ILE 46 19.625 -9.412 2.108 344 HG22 ILE 46 2HG2 ILE 46 19.505 -11.168 2.011 345 HG23 ILE 46 3HG2 ILE 46 18.880 -10.318 3.424 346 HD11 ILE 46 3HD1 ILE 46 20.717 -7.828 2.695 347 HD12 ILE 46 1HD1 ILE 46 21.627 -7.118 4.027 348 HD13 ILE 46 2HD1 ILE 46 22.459 -8.079 2.805 349 H ASP 47 H ASP 47 22.451 -13.152 2.670 350 HA ASP 47 HA ASP 47 20.519 -14.349 1.070 351 HB2 ASP 47 1HB ASP 47 23.299 -14.439 1.281 352 HB3 ASP 47 2HB ASP 47 22.789 -16.107 1.522 353 H THR 48 H THR 48 18.863 -15.538 1.741 354 HA THR 48 HA THR 48 18.884 -17.013 4.184 355 HB THR 48 HB THR 48 16.887 -17.081 1.913 356 HG1 THR 48 HG1 THR 48 16.940 -15.621 4.363 357 HG21 THR 48 3HG2 THR 48 15.433 -17.770 4.022 358 HG22 THR 48 1HG2 THR 48 16.985 -18.391 4.583 359 HG23 THR 48 2HG2 THR 48 16.300 -18.970 3.064 360 H ASP 49 H ASP 49 19.587 -17.756 0.871 361 HA ASP 49 HA ASP 49 19.834 -20.609 1.570 362 HB2 ASP 49 1HB ASP 49 19.907 -20.626 -1.139 363 HB3 ASP 49 2HB ASP 49 18.430 -20.817 -0.198 364 H GLY 50 H GLY 50 21.524 -17.788 0.784 365 HA2 GLY 50 1HA GLY 50 23.727 -17.354 0.303 366 HA3 GLY 50 2HA GLY 50 24.054 -18.884 1.102 367 H ASP 51 H ASP 51 23.189 -17.430 -2.002 368 HA ASP 51 HA ASP 51 24.579 -19.664 -3.325 369 HB2 ASP 51 1HB ASP 51 22.957 -19.851 -4.977 370 HB3 ASP 51 2HB ASP 51 21.980 -19.530 -3.547 371 H GLY 52 H GLY 52 25.151 -16.730 -2.489 372 HA2 GLY 52 1HA GLY 52 26.794 -15.305 -3.344 373 HA3 GLY 52 2HA GLY 52 26.656 -16.114 -4.897 374 H PHE 53 H PHE 53 23.607 -15.364 -3.781 375 HA PHE 53 HA PHE 53 23.574 -12.652 -4.839 376 HB2 PHE 53 1HB PHE 53 22.067 -14.954 -6.082 377 HB3 PHE 53 2HB PHE 53 21.616 -13.271 -6.336 378 HD1 PHE 53 HD1 PHE 53 22.996 -11.799 -7.668 379 HD2 PHE 53 HD2 PHE 53 24.077 -15.870 -7.057 380 HE1 PHE 53 HE1 PHE 53 24.620 -11.640 -9.510 381 HE2 PHE 53 HE2 PHE 53 25.703 -15.718 -8.896 382 HZ PHE 53 HZ PHE 53 25.977 -13.601 -10.125 383 H ILE 54 H ILE 54 21.807 -11.430 -4.169 384 HA ILE 54 HA ILE 54 20.261 -12.643 -1.987 385 HB ILE 54 HB ILE 54 20.905 -9.759 -2.592 386 HG12 ILE 54 1HG1 ILE 54 22.708 -11.062 -1.542 387 HG13 ILE 54 2HG1 ILE 54 22.074 -9.845 -0.439 388 HG21 ILE 54 1HG2 ILE 54 19.729 -9.863 -0.086 389 HG22 ILE 54 2HG2 ILE 54 19.004 -9.227 -1.562 390 HG23 ILE 54 3HG2 ILE 54 18.710 -10.899 -1.085 391 HD11 ILE 54 3HD1 ILE 54 22.299 -11.705 0.905 392 HD12 ILE 54 1HD1 ILE 54 20.596 -11.762 0.451 393 HD13 ILE 54 2HD1 ILE 54 21.760 -12.812 -0.358 394 H ASP 55 H ASP 55 18.395 -13.428 -2.757 395 HA ASP 55 HA ASP 55 17.001 -12.402 -4.989 396 HB2 ASP 55 1HB ASP 55 15.808 -14.059 -2.764 397 HB3 ASP 55 2HB ASP 55 15.272 -13.964 -4.439 398 H PHE 56 H PHE 56 14.393 -12.138 -4.367 399 HA PHE 56 HA PHE 56 14.339 -9.520 -3.143 400 HB2 PHE 56 1HB PHE 56 13.070 -10.176 -5.250 401 HB3 PHE 56 2HB PHE 56 11.976 -11.071 -4.200 402 HD1 PHE 56 HD1 PHE 56 11.015 -9.669 -2.181 403 HD2 PHE 56 HD2 PHE 56 12.539 -8.012 -5.793 404 HE1 PHE 56 HE1 PHE 56 9.718 -7.617 -1.783 405 HE2 PHE 56 HE2 PHE 56 11.246 -5.956 -5.400 406 HZ PHE 56 HZ PHE 56 9.834 -5.756 -3.392 407 H ASN 57 H ASN 57 13.194 -12.763 -2.428 408 HA ASN 57 HA ASN 57 11.516 -12.117 -0.261 409 HB2 ASN 57 1HB ASN 57 12.704 -14.542 -1.405 410 HB3 ASN 57 2HB ASN 57 12.468 -14.631 0.338 411 HD21 ASN 57 2HD2 ASN 57 10.751 -13.580 -2.583 412 HD22 ASN 57 1HD2 ASN 57 9.212 -14.204 -2.108 413 H GLU 58 H GLU 58 14.750 -13.622 -0.102 414 HA GLU 58 HA GLU 58 15.175 -13.298 2.606 415 HB2 GLU 58 1HB GLU 58 17.636 -13.325 2.006 416 HB3 GLU 58 2HB GLU 58 16.681 -14.670 1.399 417 HG2 GLU 58 1HG GLU 58 16.475 -13.074 -0.708 418 HG3 GLU 58 2HG GLU 58 17.997 -12.461 -0.065 419 H PHE 59 H PHE 59 15.498 -10.969 0.025 420 HA PHE 59 HA PHE 59 17.072 -9.030 1.215 421 HB2 PHE 59 1HB PHE 59 16.052 -9.096 -1.152 422 HB3 PHE 59 2HB PHE 59 14.647 -8.325 -0.423 423 HD1 PHE 59 HD1 PHE 59 18.353 -7.891 -0.244 424 HD2 PHE 59 HD2 PHE 59 14.542 -6.069 -0.767 425 HE1 PHE 59 HE1 PHE 59 19.439 -5.697 -0.486 426 HE2 PHE 59 HE2 PHE 59 15.622 -3.872 -1.011 427 HZ PHE 59 HZ PHE 59 18.074 -3.684 -0.871 428 H ILE 60 H ILE 60 13.612 -9.633 1.593 429 HA ILE 60 HA ILE 60 13.286 -7.389 3.392 430 HB ILE 60 HB ILE 60 11.238 -9.546 3.004 431 HG12 ILE 60 1HG1 ILE 60 11.831 -7.259 1.114 432 HG13 ILE 60 2HG1 ILE 60 11.998 -8.975 0.758 433 HG21 ILE 60 1HG2 ILE 60 10.955 -7.695 4.677 434 HG22 ILE 60 2HG2 ILE 60 10.906 -6.572 3.319 435 HG23 ILE 60 3HG2 ILE 60 9.671 -7.822 3.474 436 HD11 ILE 60 3HD1 ILE 60 9.915 -9.007 0.034 437 HD12 ILE 60 1HD1 ILE 60 9.350 -8.548 1.640 438 HD13 ILE 60 2HD1 ILE 60 9.729 -7.303 0.449 439 H SER 61 H SER 61 13.794 -10.828 3.587 440 HA SER 61 HA SER 61 12.898 -11.399 6.142 441 HB2 SER 61 1HB SER 61 13.652 -13.203 4.781 442 HB3 SER 61 2HB SER 61 15.250 -12.483 4.588 443 HG SER 61 HG SER 61 14.670 -14.264 6.307 444 H PHE 62 H PHE 62 16.069 -10.143 5.151 445 HA PHE 62 HA PHE 62 16.887 -9.823 7.916 446 HB2 PHE 62 1HB PHE 62 18.227 -10.121 5.440 447 HB3 PHE 62 2HB PHE 62 18.670 -8.538 6.070 448 HD1 PHE 62 HD1 PHE 62 18.191 -11.990 7.414 449 HD2 PHE 62 HD2 PHE 62 20.592 -8.478 7.304 450 HE1 PHE 62 HE1 PHE 62 19.810 -13.054 8.930 451 HE2 PHE 62 HE2 PHE 62 22.215 -9.536 8.820 452 HZ PHE 62 HZ PHE 62 21.826 -11.827 9.635 453 H CYS 63 H CYS 63 16.287 -7.725 5.108 454 HA CYS 63 HA CYS 63 16.802 -5.265 6.219 455 HB2 CYS 63 1HB CYS 63 16.284 -5.415 3.890 456 HB3 CYS 63 2HB CYS 63 14.690 -6.082 4.223 457 HG CYS 63 HG CYS 63 15.739 -2.860 4.534 458 H ASN 64 H ASN 64 13.921 -7.261 6.571 459 HA ASN 64 HA ASN 64 12.214 -5.428 7.775 460 HB2 ASN 64 1HB ASN 64 11.485 -7.654 7.055 461 HB3 ASN 64 2HB ASN 64 12.459 -8.395 8.321 462 HD21 ASN 64 2HD2 ASN 64 10.373 -5.541 8.406 463 HD22 ASN 64 1HD2 ASN 64 9.313 -6.138 9.633 464 H ALA 65 H ALA 65 14.834 -7.327 9.149 465 HA ALA 65 HA ALA 65 14.263 -6.745 11.870 466 HB1 ALA 65 1HB ALA 65 16.220 -8.231 10.408 467 HB2 ALA 65 2HB ALA 65 17.025 -7.220 11.609 468 HB3 ALA 65 3HB ALA 65 15.771 -8.354 12.109 469 H ASN 66 H ASN 66 15.606 -4.901 9.338 470 HA ASN 66 HA ASN 66 16.758 -2.987 11.257 471 HB2 ASN 66 1HB ASN 66 17.391 -3.553 8.365 472 HB3 ASN 66 2HB ASN 66 17.896 -2.058 9.148 473 HD21 ASN 66 2HD2 ASN 66 17.813 -5.482 10.088 474 HD22 ASN 66 1HD2 ASN 66 19.465 -5.559 10.587 475 HA PRO 67 HA PRO 67 12.883 -0.999 9.730 476 HB2 PRO 67 1HB PRO 67 12.271 0.138 12.118 477 HB3 PRO 67 2HB PRO 67 11.811 -1.516 11.695 478 HG2 PRO 67 1HG PRO 67 14.110 -0.553 13.354 479 HG3 PRO 67 2HG PRO 67 13.011 -1.914 13.647 480 HD2 PRO 67 1HD PRO 67 15.499 -2.243 12.629 481 HD3 PRO 67 2HD PRO 67 14.142 -3.302 12.195 482 H GLY 68 H GLY 68 15.626 0.190 11.581 483 HA2 GLY 68 1HA GLY 68 15.076 2.965 11.104 484 HA3 GLY 68 2HA GLY 68 16.565 2.293 11.750 485 H LEU 69 H LEU 69 16.494 0.469 9.247 486 HA LEU 69 HA LEU 69 18.041 2.308 7.602 487 HB2 LEU 69 1HB LEU 69 18.950 0.094 8.202 488 HB3 LEU 69 2HB LEU 69 17.626 -0.665 7.322 489 HG LEU 69 HG LEU 69 19.570 1.179 5.965 490 HD11 LEU 69 1HD1 LEU 69 20.041 -1.506 6.991 491 HD12 LEU 69 2HD1 LEU 69 21.181 -0.306 6.382 492 HD13 LEU 69 3HD1 LEU 69 20.325 -1.361 5.257 493 HD21 LEU 69 3HD2 LEU 69 18.746 -0.801 4.237 494 HD22 LEU 69 1HD2 LEU 69 18.102 0.839 4.320 495 HD23 LEU 69 2HD2 LEU 69 17.300 -0.468 5.192 496 H MET 70 H MET 70 15.338 0.026 7.215 497 HA MET 70 HA MET 70 14.769 0.458 4.546 498 HB2 MET 70 1HB MET 70 12.411 -0.165 5.148 499 HB3 MET 70 2HB MET 70 13.638 -1.288 5.719 500 HG2 MET 70 1HG MET 70 13.465 -0.478 7.943 501 HG3 MET 70 2HG MET 70 12.463 0.879 7.434 502 HE1 MET 70 3HE MET 70 12.516 -2.677 6.248 503 HE2 MET 70 1HE MET 70 12.279 -3.248 7.901 504 HE3 MET 70 2HE MET 70 10.968 -3.375 6.728 505 H LYS 71 H LYS 71 14.277 2.552 7.246 506 HA LYS 71 HA LYS 71 12.347 4.244 5.933 507 HB2 LYS 71 1HB LYS 71 13.933 4.533 8.485 508 HB3 LYS 71 2HB LYS 71 12.816 5.763 7.906 509 HG2 LYS 71 1HG LYS 71 10.977 4.172 8.031 510 HG3 LYS 71 2HG LYS 71 12.091 2.918 8.581 511 HD2 LYS 71 1HD LYS 71 12.649 4.783 10.403 512 HD3 LYS 71 2HD LYS 71 10.990 5.260 10.032 513 HE2 LYS 71 1HE LYS 71 10.102 3.352 10.906 514 HE3 LYS 71 2HE LYS 71 11.513 2.378 10.497 515 HZ1 LYS 71 3HZ LYS 71 11.125 2.827 12.932 516 HZ2 LYS 71 1HZ LYS 71 11.572 4.431 12.629 517 HZ3 LYS 71 2HZ LYS 71 12.676 3.179 12.354 518 H ASP 72 H ASP 72 15.809 4.113 6.305 519 HA ASP 72 HA ASP 72 16.195 6.792 5.263 520 HB2 ASP 72 1HB ASP 72 17.767 4.912 6.737 521 HB3 ASP 72 2HB ASP 72 18.634 5.334 5.263 522 H VAL 73 H VAL 73 16.497 3.458 4.173 523 HA VAL 73 HA VAL 73 17.699 4.091 1.665 524 HB VAL 73 HB VAL 73 17.960 1.870 2.612 525 HG11 VAL 73 1HG1 VAL 73 15.208 1.014 1.987 526 HG12 VAL 73 2HG1 VAL 73 16.282 0.524 3.299 527 HG13 VAL 73 3HG1 VAL 73 15.393 2.044 3.407 528 HG21 VAL 73 3HG2 VAL 73 18.134 2.034 0.215 529 HG22 VAL 73 1HG2 VAL 73 17.318 0.525 0.627 530 HG23 VAL 73 2HG2 VAL 73 16.385 1.901 0.039 531 H ALA 74 H ALA 74 14.394 3.628 2.784 532 HA ALA 74 HA ALA 74 13.245 3.722 0.157 533 HB1 ALA 74 1HB ALA 74 11.741 4.229 2.703 534 HB2 ALA 74 2HB ALA 74 11.166 3.505 1.201 535 HB3 ALA 74 3HB ALA 74 12.268 2.609 2.246 536 H LYS 75 H LYS 75 14.803 6.029 1.776 537 HA LYS 75 HA LYS 75 12.925 8.202 1.254 538 HB2 LYS 75 1HB LYS 75 14.107 9.451 2.744 539 HB3 LYS 75 2HB LYS 75 14.603 7.863 3.314 540 HG2 LYS 75 1HG LYS 75 16.569 8.125 1.675 541 HG3 LYS 75 2HG LYS 75 16.138 9.836 1.670 542 HD2 LYS 75 1HD LYS 75 16.348 8.560 4.324 543 HD3 LYS 75 2HD LYS 75 17.858 8.732 3.426 544 HE2 LYS 75 1HE LYS 75 15.911 10.966 3.993 545 HE3 LYS 75 2HE LYS 75 17.386 10.654 4.908 546 HZ1 LYS 75 3HZ LYS 75 17.922 12.313 3.359 547 HZ2 LYS 75 1HZ LYS 75 17.143 11.515 2.086 548 HZ3 LYS 75 2HZ LYS 75 18.583 10.894 2.719 549 H VAL 76 H VAL 76 15.850 6.792 0.002 550 HA VAL 76 HA VAL 76 15.823 8.782 -2.170 551 HB VAL 76 HB VAL 76 17.760 9.176 -0.698 552 HG11 VAL 76 1HG1 VAL 76 19.183 6.754 -1.534 553 HG12 VAL 76 2HG1 VAL 76 19.156 7.575 0.028 554 HG13 VAL 76 3HG1 VAL 76 17.852 6.471 -0.412 555 HG21 VAL 76 3HG2 VAL 76 19.367 8.280 -2.839 556 HG22 VAL 76 1HG2 VAL 76 17.799 8.722 -3.516 557 HG23 VAL 76 2HG2 VAL 76 18.714 9.896 -2.571 558 H PHE 77 H PHE 77 16.389 5.474 -1.162 559 HA PHE 77 HA PHE 77 16.699 4.636 -3.953 560 HB2 PHE 77 1HB PHE 77 17.438 3.464 -1.322 561 HB3 PHE 77 2HB PHE 77 17.021 2.341 -2.612 562 HD1 PHE 77 HD2 PHE 77 18.690 5.602 -3.063 563 HD2 PHE 77 HD1 PHE 77 19.138 1.370 -2.968 564 HE1 PHE 77 HE2 PHE 77 20.961 5.825 -3.984 565 HE2 PHE 77 HE1 PHE 77 21.410 1.587 -3.888 566 HZ PHE 77 HZ PHE 77 22.324 3.816 -4.399 Start of MODEL 12 1 H1 ALA 1 H ALA 1 0.010 -2.297 -2.486 2 HA ALA 1 HA ALA 1 1.962 -0.422 -2.225 3 HB1 ALA 1 1HB ALA 1 1.273 -0.485 0.309 4 HB2 ALA 1 2HB ALA 1 0.128 0.034 -0.929 5 HB3 ALA 1 3HB ALA 1 0.042 -1.603 -0.279 6 H ASP 2 H ASP 2 4.056 -1.138 -2.449 7 HA ASP 2 HA ASP 2 5.257 -2.255 -0.061 8 HB2 ASP 2 1HB ASP 2 5.075 -3.741 -2.642 9 HB3 ASP 2 2HB ASP 2 6.566 -3.868 -1.714 10 H ASP 3 H ASP 3 6.903 -0.955 0.356 11 HA ASP 3 HA ASP 3 8.043 0.762 -1.618 12 HB2 ASP 3 1HB ASP 3 9.285 0.235 1.068 13 HB3 ASP 3 2HB ASP 3 9.272 1.727 0.131 14 H MET 4 H MET 4 9.051 -2.220 -0.036 15 HA MET 4 HA MET 4 11.712 -2.295 -0.863 16 HB2 MET 4 1HB MET 4 9.810 -4.617 -0.496 17 HB3 MET 4 2HB MET 4 11.563 -4.731 -0.550 18 HG2 MET 4 1HG MET 4 10.070 -3.117 1.498 19 HG3 MET 4 2HG MET 4 10.545 -4.797 1.733 20 HE1 MET 4 3HE MET 4 13.167 -5.482 2.488 21 HE2 MET 4 1HE MET 4 13.049 -5.373 0.732 22 HE3 MET 4 2HE MET 4 14.408 -4.627 1.572 23 H GLU 5 H GLU 5 8.792 -2.787 -2.647 24 HA GLU 5 HA GLU 5 9.801 -4.328 -4.779 25 HB2 GLU 5 1HB GLU 5 7.430 -4.135 -4.499 26 HB3 GLU 5 2HB GLU 5 7.500 -2.382 -4.621 27 HG2 GLU 5 1HG GLU 5 8.203 -2.586 -6.962 28 HG3 GLU 5 2HG GLU 5 8.082 -4.340 -6.832 29 H ARG 6 H ARG 6 9.151 -0.820 -4.663 30 HA ARG 6 HA ARG 6 10.491 -0.273 -7.096 31 HB2 ARG 6 1HB ARG 6 10.401 2.117 -6.284 32 HB3 ARG 6 2HB ARG 6 8.852 1.287 -6.364 33 HG2 ARG 6 1HG ARG 6 8.772 1.019 -4.012 34 HG3 ARG 6 2HG ARG 6 10.454 1.521 -3.833 35 HD2 ARG 6 1HD ARG 6 9.260 3.416 -3.209 36 HD3 ARG 6 2HD ARG 6 9.682 3.736 -4.891 37 HE ARG 6 HE ARG 6 7.245 2.582 -5.080 38 HH11 ARG 6 1HH1 ARG 6 8.488 5.241 -3.208 39 HH12 ARG 6 2HH1 ARG 6 6.979 6.092 -3.173 40 HH21 ARG 6 1HH2 ARG 6 5.253 3.693 -5.041 41 HH22 ARG 6 2HH2 ARG 6 5.140 5.210 -4.215 42 H ILE 7 H ILE 7 11.502 -0.269 -3.727 43 HA ILE 7 HA ILE 7 14.005 0.990 -4.112 44 HB ILE 7 HB ILE 7 13.120 -0.927 -1.954 45 HG12 ILE 7 1HG1 ILE 7 13.455 2.048 -1.687 46 HG13 ILE 7 2HG1 ILE 7 11.958 1.367 -2.314 47 HG21 ILE 7 1HG2 ILE 7 15.686 0.398 -2.483 48 HG22 ILE 7 2HG2 ILE 7 15.080 0.577 -0.837 49 HG23 ILE 7 3HG2 ILE 7 15.322 -1.032 -1.517 50 HD11 ILE 7 3HD1 ILE 7 13.035 1.387 0.420 51 HD12 ILE 7 1HD1 ILE 7 11.366 1.422 -0.150 52 HD13 ILE 7 2HD1 ILE 7 12.246 -0.106 -0.087 53 H PHE 8 H PHE 8 12.985 -2.393 -4.145 54 HA PHE 8 HA PHE 8 15.496 -3.599 -4.264 55 HB2 PHE 8 1HB PHE 8 13.430 -4.865 -3.903 56 HB3 PHE 8 2HB PHE 8 12.909 -4.505 -5.545 57 HD1 PHE 8 HD1 PHE 8 15.206 -6.461 -3.477 58 HD2 PHE 8 HD2 PHE 8 13.867 -5.648 -7.434 59 HE1 PHE 8 HE1 PHE 8 16.346 -8.490 -4.275 60 HE2 PHE 8 HE2 PHE 8 15.004 -7.676 -8.239 61 HZ PHE 8 HZ PHE 8 16.245 -9.101 -6.659 62 H LYS 9 H LYS 9 13.658 -1.935 -6.700 63 HA LYS 9 HA LYS 9 14.914 -2.934 -9.004 64 HB2 LYS 9 1HB LYS 9 13.904 -0.112 -8.673 65 HB3 LYS 9 2HB LYS 9 13.994 -1.058 -10.153 66 HG2 LYS 9 1HG LYS 9 12.139 -1.502 -7.825 67 HG3 LYS 9 2HG LYS 9 11.712 -0.941 -9.443 68 HD2 LYS 9 1HD LYS 9 12.867 -3.646 -8.764 69 HD3 LYS 9 2HD LYS 9 11.173 -3.313 -9.131 70 HE2 LYS 9 1HE LYS 9 13.513 -2.907 -10.991 71 HE3 LYS 9 2HE LYS 9 12.331 -4.212 -11.079 72 HZ1 LYS 9 3HZ LYS 9 11.768 -1.317 -11.430 73 HZ2 LYS 9 1HZ LYS 9 10.602 -2.543 -11.453 74 HZ3 LYS 9 2HZ LYS 9 11.793 -2.485 -12.653 75 H ARG 10 H ARG 10 15.980 -0.706 -6.588 76 HA ARG 10 HA ARG 10 18.089 0.416 -8.219 77 HB2 ARG 10 1HB ARG 10 17.710 0.659 -5.232 78 HB3 ARG 10 2HB ARG 10 18.690 1.690 -6.266 79 HG2 ARG 10 1HG ARG 10 15.702 1.440 -6.502 80 HG3 ARG 10 2HG ARG 10 16.519 2.681 -5.551 81 HD2 ARG 10 1HD ARG 10 17.378 2.348 -8.367 82 HD3 ARG 10 2HD ARG 10 15.784 3.049 -8.092 83 HE ARG 10 HE ARG 10 17.878 4.258 -6.533 84 HH11 ARG 10 1HH1 ARG 10 16.180 4.280 -9.572 85 HH12 ARG 10 2HH1 ARG 10 16.566 5.932 -9.924 86 HH21 ARG 10 1HH2 ARG 10 18.392 6.434 -6.985 87 HH22 ARG 10 2HH2 ARG 10 17.825 7.156 -8.453 88 H PHE 11 H PHE 11 17.947 -1.613 -5.291 89 HA PHE 11 HA PHE 11 20.672 -2.156 -5.098 90 HB2 PHE 11 1HB PHE 11 18.248 -3.725 -4.230 91 HB3 PHE 11 2HB PHE 11 19.887 -4.265 -3.883 92 HD1 PHE 11 HD1 PHE 11 17.548 -1.429 -3.393 93 HD2 PHE 11 HD2 PHE 11 21.038 -3.449 -2.031 94 HE1 PHE 11 HE1 PHE 11 17.586 -0.004 -1.387 95 HE2 PHE 11 HE2 PHE 11 21.081 -2.029 -0.023 96 HZ PHE 11 HZ PHE 11 19.353 -0.304 0.302 97 H ASP 12 H ASP 12 18.215 -3.554 -7.141 98 HA ASP 12 HA ASP 12 19.997 -5.678 -8.038 99 HB2 ASP 12 1HB ASP 12 17.680 -6.294 -7.703 100 HB3 ASP 12 2HB ASP 12 17.141 -4.999 -8.770 101 H THR 13 H THR 13 21.406 -3.726 -8.752 102 HA THR 13 HA THR 13 20.779 -2.165 -10.969 103 HB THR 13 HB THR 13 23.434 -3.222 -10.003 104 HG1 THR 13 HG1 THR 13 22.235 -1.609 -8.761 105 HG21 THR 13 3HG2 THR 13 22.897 -1.236 -12.214 106 HG22 THR 13 1HG2 THR 13 23.650 -2.821 -12.387 107 HG23 THR 13 2HG2 THR 13 24.476 -1.545 -11.492 108 H ASN 14 H ASN 14 21.525 -5.526 -10.763 109 HA ASN 14 HA ASN 14 22.268 -5.819 -13.531 110 HB2 ASN 14 1HB ASN 14 23.252 -7.395 -12.054 111 HB3 ASN 14 2HB ASN 14 21.702 -7.781 -11.312 112 HD21 ASN 14 2HD2 ASN 14 22.267 -7.430 -14.750 113 HD22 ASN 14 1HD2 ASN 14 21.982 -9.085 -15.158 114 H GLY 15 H GLY 15 19.364 -5.456 -11.870 115 HA2 GLY 15 1HA GLY 15 17.158 -5.813 -12.419 116 HA3 GLY 15 2HA GLY 15 17.707 -5.501 -14.059 117 H ASP 16 H ASP 16 18.449 -8.222 -11.906 118 HA ASP 16 HA ASP 16 17.233 -10.007 -13.912 119 HB2 ASP 16 1HB ASP 16 19.101 -11.245 -13.956 120 HB3 ASP 16 2HB ASP 16 19.885 -9.939 -13.072 121 H GLY 17 H GLY 17 17.141 -8.914 -10.715 122 HA2 GLY 17 1HA GLY 17 15.233 -9.492 -9.357 123 HA3 GLY 17 2HA GLY 17 15.315 -11.119 -10.016 124 H LYS 18 H LYS 18 18.323 -9.723 -9.197 125 HA LYS 18 HA LYS 18 18.324 -10.730 -6.477 126 HB2 LYS 18 1HB LYS 18 20.335 -11.839 -8.432 127 HB3 LYS 18 2HB LYS 18 20.058 -12.337 -6.768 128 HG2 LYS 18 1HG LYS 18 17.826 -13.167 -7.430 129 HG3 LYS 18 2HG LYS 18 18.207 -12.758 -9.105 130 HD2 LYS 18 1HD LYS 18 20.282 -14.355 -7.832 131 HD3 LYS 18 2HD LYS 18 18.716 -15.168 -7.860 132 HE2 LYS 18 1HE LYS 18 18.843 -14.151 -10.380 133 HE3 LYS 18 2HE LYS 18 20.542 -14.498 -10.060 134 HZ1 LYS 18 3HZ LYS 18 18.316 -16.443 -9.776 135 HZ2 LYS 18 1HZ LYS 18 19.957 -16.767 -9.523 136 HZ3 LYS 18 2HZ LYS 18 19.400 -16.382 -11.073 137 H ILE 19 H ILE 19 20.308 -10.195 -5.320 138 HA ILE 19 HA ILE 19 21.702 -7.902 -6.540 139 HB ILE 19 HB ILE 19 21.461 -8.241 -3.573 140 HG12 ILE 19 1HG1 ILE 19 19.168 -8.365 -4.384 141 HG13 ILE 19 2HG1 ILE 19 19.447 -6.802 -3.624 142 HG21 ILE 19 1HG2 ILE 19 22.389 -6.215 -5.453 143 HG22 ILE 19 2HG2 ILE 19 21.315 -5.576 -4.210 144 HG23 ILE 19 3HG2 ILE 19 22.779 -6.444 -3.748 145 HD11 ILE 19 3HD1 ILE 19 20.023 -6.187 -6.172 146 HD12 ILE 19 1HD1 ILE 19 18.838 -7.469 -6.422 147 HD13 ILE 19 2HD1 ILE 19 18.412 -6.048 -5.467 148 H SER 20 H SER 20 23.757 -8.307 -6.977 149 HA SER 20 HA SER 20 25.167 -10.363 -5.427 150 HB2 SER 20 1HB SER 20 26.628 -9.361 -7.723 151 HB3 SER 20 2HB SER 20 26.109 -11.007 -7.360 152 HG SER 20 HG SER 20 25.090 -9.291 -9.135 153 H LEU 21 H LEU 21 27.768 -9.696 -5.869 154 HA LEU 21 HA LEU 21 28.191 -7.651 -3.934 155 HB2 LEU 21 1HB LEU 21 30.349 -8.699 -5.720 156 HB3 LEU 21 2HB LEU 21 30.444 -8.206 -4.030 157 HG LEU 21 HG LEU 21 29.278 -10.758 -5.131 158 HD11 LEU 21 1HD1 LEU 21 31.184 -11.749 -4.528 159 HD12 LEU 21 2HD1 LEU 21 31.275 -10.858 -3.009 160 HD13 LEU 21 3HD1 LEU 21 31.868 -10.124 -4.499 161 HD21 LEU 21 3HD2 LEU 21 27.952 -10.843 -3.352 162 HD22 LEU 21 1HD2 LEU 21 28.612 -9.330 -2.729 163 HD23 LEU 21 2HD2 LEU 21 29.392 -10.862 -2.333 164 H SER 22 H SER 22 27.992 -7.699 -7.372 165 HA SER 22 HA SER 22 29.412 -5.211 -7.748 166 HB2 SER 22 1HB SER 22 28.844 -7.328 -9.402 167 HB3 SER 22 2HB SER 22 27.678 -6.119 -9.940 168 HG SER 22 HG SER 22 29.537 -5.767 -11.082 169 H GLU 23 H GLU 23 26.090 -6.300 -7.480 170 HA GLU 23 HA GLU 23 25.020 -3.696 -8.165 171 HB2 GLU 23 1HB GLU 23 23.519 -6.054 -7.029 172 HB3 GLU 23 2HB GLU 23 22.857 -4.689 -7.917 173 HG2 GLU 23 1HG GLU 23 23.791 -5.434 -9.952 174 HG3 GLU 23 2HG GLU 23 24.804 -6.622 -9.135 175 H LEU 24 H LEU 24 24.937 -5.809 -5.293 176 HA LEU 24 HA LEU 24 23.701 -4.137 -3.510 177 HB2 LEU 24 1HB LEU 24 24.640 -6.539 -3.237 178 HB3 LEU 24 2HB LEU 24 26.093 -5.724 -2.662 179 HG LEU 24 HG LEU 24 23.465 -5.079 -1.401 180 HD11 LEU 24 1HD1 LEU 24 24.982 -7.225 -0.109 181 HD12 LEU 24 2HD1 LEU 24 24.193 -7.690 -1.615 182 HD13 LEU 24 3HD1 LEU 24 23.240 -7.013 -0.294 183 HD21 LEU 24 3HD2 LEU 24 25.895 -4.067 -1.007 184 HD22 LEU 24 1HD2 LEU 24 26.005 -5.452 0.079 185 HD23 LEU 24 2HD2 LEU 24 24.726 -4.258 0.301 186 H THR 25 H THR 25 27.199 -4.303 -4.154 187 HA THR 25 HA THR 25 28.085 -2.372 -2.402 188 HB THR 25 HB THR 25 29.589 -3.770 -3.774 189 HG1 THR 25 HG1 THR 25 31.130 -2.258 -3.715 190 HG21 THR 25 3HG2 THR 25 28.155 -3.205 -5.902 191 HG22 THR 25 1HG2 THR 25 29.882 -3.525 -6.047 192 HG23 THR 25 2HG2 THR 25 29.290 -1.864 -6.053 193 H ASP 26 H ASP 26 26.670 -1.946 -5.608 194 HA ASP 26 HA ASP 26 27.171 0.762 -5.984 195 HB2 ASP 26 1HB ASP 26 25.663 -1.228 -7.268 196 HB3 ASP 26 2HB ASP 26 24.524 0.068 -6.917 197 H ALA 27 H ALA 27 24.946 -0.818 -3.853 198 HA ALA 27 HA ALA 27 23.390 1.577 -3.359 199 HB1 ALA 27 1HB ALA 27 22.953 -1.170 -3.035 200 HB2 ALA 27 2HB ALA 27 22.965 -0.487 -1.408 201 HB3 ALA 27 3HB ALA 27 21.857 0.150 -2.624 202 H LEU 28 H LEU 28 25.370 -0.578 -1.311 203 HA LEU 28 HA LEU 28 25.478 1.110 0.910 204 HB2 LEU 28 1HB LEU 28 27.678 -0.768 0.093 205 HB3 LEU 28 2HB LEU 28 27.229 -0.266 1.721 206 HG LEU 28 HG LEU 28 25.767 -2.171 -0.095 207 HD11 LEU 28 1HD1 LEU 28 26.063 -3.259 2.424 208 HD12 LEU 28 2HD1 LEU 28 27.585 -2.411 2.154 209 HD13 LEU 28 3HD1 LEU 28 27.039 -3.631 1.002 210 HD21 LEU 28 3HD2 LEU 28 24.021 -0.924 0.854 211 HD22 LEU 28 1HD2 LEU 28 24.846 -0.787 2.407 212 HD23 LEU 28 2HD2 LEU 28 24.182 -2.339 1.895 213 H ARG 29 H ARG 29 27.088 1.307 -2.110 214 HA ARG 29 HA ARG 29 29.201 3.037 -1.113 215 HB2 ARG 29 1HB ARG 29 30.143 2.926 -3.268 216 HB3 ARG 29 2HB ARG 29 29.484 1.321 -2.984 217 HG2 ARG 29 1HG ARG 29 28.693 1.640 -5.076 218 HG3 ARG 29 2HG ARG 29 27.376 2.409 -4.188 219 HD2 ARG 29 1HD ARG 29 27.774 4.308 -5.265 220 HD3 ARG 29 2HD ARG 29 29.391 4.356 -4.563 221 HE ARG 29 HE ARG 29 29.526 2.631 -6.718 222 HH11 ARG 29 1HH1 ARG 29 28.778 5.986 -6.167 223 HH12 ARG 29 2HH1 ARG 29 29.340 6.502 -7.722 224 HH21 ARG 29 1HH2 ARG 29 30.269 3.297 -8.769 225 HH22 ARG 29 2HH2 ARG 29 30.187 4.971 -9.202 226 H THR 30 H THR 30 26.058 3.284 -2.489 227 HA THR 30 HA THR 30 26.413 6.044 -3.329 228 HB THR 30 HB THR 30 23.990 4.238 -3.359 229 HG1 THR 30 HG1 THR 30 25.196 5.344 -5.641 230 HG21 THR 30 3HG2 THR 30 23.284 6.553 -3.047 231 HG22 THR 30 1HG2 THR 30 22.899 6.003 -4.677 232 HG23 THR 30 2HG2 THR 30 24.288 7.056 -4.406 233 H LEU 31 H LEU 31 25.080 4.234 -0.662 234 HA LEU 31 HA LEU 31 24.101 6.730 0.548 235 HB2 LEU 31 1HB LEU 31 23.466 4.071 1.711 236 HB3 LEU 31 2HB LEU 31 22.506 5.548 1.686 237 HG LEU 31 HG LEU 31 22.836 3.508 -0.500 238 HD11 LEU 31 1HD1 LEU 31 20.552 3.123 -0.252 239 HD12 LEU 31 2HD1 LEU 31 20.297 4.629 0.630 240 HD13 LEU 31 3HD1 LEU 31 21.135 3.285 1.405 241 HD21 LEU 31 3HD2 LEU 31 21.042 5.699 -1.105 242 HD22 LEU 31 1HD2 LEU 31 22.322 4.983 -2.085 243 HD23 LEU 31 2HD2 LEU 31 22.709 6.246 -0.915 244 H GLY 32 H GLY 32 26.463 4.252 0.779 245 HA2 GLY 32 1HA GLY 32 27.313 5.338 3.394 246 HA3 GLY 32 2HA GLY 32 27.458 3.634 2.989 247 H SER 33 H SER 33 28.220 4.424 0.178 248 HA SER 33 HA SER 33 30.096 4.869 -1.038 249 HB2 SER 33 1HB SER 33 30.035 6.973 0.574 250 HB3 SER 33 2HB SER 33 31.465 6.203 1.259 251 HG SER 33 HG SER 33 32.557 6.615 -0.517 252 H THR 34 H THR 34 29.788 2.500 0.614 253 HA THR 34 HA THR 34 32.472 1.888 1.555 254 HB THR 34 HB THR 34 30.262 1.129 2.679 255 HG1 THR 34 HG1 THR 34 32.635 0.287 2.842 256 HG21 THR 34 3HG2 THR 34 29.541 0.111 0.384 257 HG22 THR 34 1HG2 THR 34 29.164 -0.744 1.879 258 HG23 THR 34 2HG2 THR 34 30.534 -1.254 0.893 259 H SER 35 H SER 35 32.825 -0.718 0.976 260 HA SER 35 HA SER 35 32.840 -0.830 -1.969 261 HB2 SER 35 1HB SER 35 35.089 -0.322 -0.872 262 HB3 SER 35 2HB SER 35 35.032 -1.963 -0.229 263 HG SER 35 HG SER 35 35.971 -1.302 -2.520 264 H ALA 36 H ALA 36 33.812 -3.306 -2.398 265 HA ALA 36 HA ALA 36 31.582 -4.965 -1.785 266 HB1 ALA 36 1HB ALA 36 33.889 -6.427 -2.733 267 HB2 ALA 36 2HB ALA 36 32.324 -6.165 -3.505 268 HB3 ALA 36 3HB ALA 36 33.607 -4.968 -3.685 269 H ASP 37 H ASP 37 34.676 -4.439 -0.323 270 HA ASP 37 HA ASP 37 35.118 -6.820 1.019 271 HB2 ASP 37 1HB ASP 37 35.770 -3.961 1.639 272 HB3 ASP 37 2HB ASP 37 36.118 -5.211 2.830 273 H GLU 38 H GLU 38 32.709 -4.399 1.570 274 HA GLU 38 HA GLU 38 31.943 -5.687 4.101 275 HB2 GLU 38 1HB GLU 38 30.812 -3.087 3.109 276 HB3 GLU 38 2HB GLU 38 30.898 -3.693 4.757 277 HG2 GLU 38 1HG GLU 38 33.248 -2.803 3.101 278 HG3 GLU 38 2HG GLU 38 32.457 -1.852 4.356 279 H VAL 39 H VAL 39 31.103 -5.403 0.835 280 HA VAL 39 HA VAL 39 28.274 -5.688 1.065 281 HB VAL 39 HB VAL 39 30.172 -6.182 -1.225 282 HG11 VAL 39 1HG1 VAL 39 27.195 -6.549 -1.073 283 HG12 VAL 39 2HG1 VAL 39 28.018 -6.206 -2.596 284 HG13 VAL 39 3HG1 VAL 39 28.415 -7.665 -1.688 285 HG21 VAL 39 3HG2 VAL 39 29.810 -4.050 -1.816 286 HG22 VAL 39 1HG2 VAL 39 28.087 -4.145 -1.454 287 HG23 VAL 39 2HG2 VAL 39 29.245 -3.839 -0.159 288 H GLN 40 H GLN 40 30.767 -7.999 -0.026 289 HA GLN 40 HA GLN 40 29.175 -10.258 -0.116 290 HB2 GLN 40 1HB GLN 40 31.372 -11.499 0.367 291 HB3 GLN 40 2HB GLN 40 31.309 -10.470 -1.058 292 HG2 GLN 40 1HG GLN 40 32.723 -8.906 -0.165 293 HG3 GLN 40 2HG GLN 40 32.309 -9.323 1.498 294 HE21 GLN 40 2HE2 GLN 40 32.752 -11.949 1.658 295 HE22 GLN 40 1HE2 GLN 40 34.408 -12.323 1.339 296 H ARG 41 H ARG 41 30.419 -8.572 2.626 297 HA ARG 41 HA ARG 41 30.004 -10.777 4.457 298 HB2 ARG 41 1HB ARG 41 30.445 -7.935 5.310 299 HB3 ARG 41 2HB ARG 41 30.941 -9.420 6.109 300 HG2 ARG 41 1HG ARG 41 32.125 -8.249 3.602 301 HG3 ARG 41 2HG ARG 41 32.865 -8.291 5.204 302 HD2 ARG 41 1HD ARG 41 32.174 -10.935 4.653 303 HD3 ARG 41 2HD ARG 41 32.821 -10.308 3.138 304 HE ARG 41 HE ARG 41 34.897 -10.274 4.090 305 HH11 ARG 41 1HH1 ARG 41 32.504 -10.472 6.611 306 HH12 ARG 41 2HH1 ARG 41 33.666 -10.699 7.876 307 HH21 ARG 41 1HH2 ARG 41 36.436 -10.572 5.747 308 HH22 ARG 41 2HH2 ARG 41 35.902 -10.755 7.384 309 H MET 42 H MET 42 28.299 -7.951 3.341 310 HA MET 42 HA MET 42 26.337 -7.994 5.444 311 HB2 MET 42 1HB MET 42 26.780 -5.875 4.442 312 HB3 MET 42 2HB MET 42 26.518 -6.511 2.824 313 HG2 MET 42 1HG MET 42 24.294 -6.275 2.948 314 HG3 MET 42 2HG MET 42 24.231 -6.778 4.636 315 HE1 MET 42 3HE MET 42 26.340 -4.292 5.976 316 HE2 MET 42 1HE MET 42 24.835 -3.690 6.670 317 HE3 MET 42 2HE MET 42 25.099 -5.426 6.512 318 H MET 43 H MET 43 26.470 -9.012 2.053 319 HA MET 43 HA MET 43 23.765 -9.957 2.026 320 HB2 MET 43 1HB MET 43 24.446 -10.984 -0.163 321 HB3 MET 43 2HB MET 43 24.697 -9.246 -0.055 322 HG2 MET 43 1HG MET 43 26.802 -9.535 -0.647 323 HG3 MET 43 2HG MET 43 27.074 -10.460 0.828 324 HE1 MET 43 3HE MET 43 24.622 -11.621 -2.078 325 HE2 MET 43 1HE MET 43 25.843 -10.613 -2.854 326 HE3 MET 43 2HE MET 43 25.792 -12.345 -3.182 327 H ALA 44 H ALA 44 26.837 -11.271 2.907 328 HA ALA 44 HA ALA 44 26.380 -14.005 2.565 329 HB1 ALA 44 1HB ALA 44 28.222 -12.342 4.136 330 HB2 ALA 44 2HB ALA 44 27.939 -13.959 4.782 331 HB3 ALA 44 3HB ALA 44 28.539 -13.760 3.136 332 H GLU 45 H GLU 45 25.280 -11.787 5.031 333 HA GLU 45 HA GLU 45 24.222 -13.964 6.660 334 HB2 GLU 45 1HB GLU 45 23.515 -12.089 8.184 335 HB3 GLU 45 2HB GLU 45 25.249 -12.230 7.929 336 HG2 GLU 45 1HG GLU 45 25.160 -10.408 6.305 337 HG3 GLU 45 2HG GLU 45 23.422 -10.266 6.563 338 H ILE 46 H ILE 46 23.174 -11.496 4.438 339 HA ILE 46 HA ILE 46 20.393 -11.655 5.077 340 HB ILE 46 HB ILE 46 21.783 -10.590 2.617 341 HG12 ILE 46 1HG1 ILE 46 20.503 -9.084 4.903 342 HG13 ILE 46 2HG1 ILE 46 22.223 -9.451 4.827 343 HG21 ILE 46 1HG2 ILE 46 19.637 -9.451 2.156 344 HG22 ILE 46 2HG2 ILE 46 19.523 -11.207 2.049 345 HG23 ILE 46 3HG2 ILE 46 18.900 -10.368 3.470 346 HD11 ILE 46 3HD1 ILE 46 20.762 -7.898 2.710 347 HD12 ILE 46 1HD1 ILE 46 21.583 -7.156 4.083 348 HD13 ILE 46 2HD1 ILE 46 22.504 -8.090 2.903 349 H ASP 47 H ASP 47 22.515 -13.227 2.753 350 HA ASP 47 HA ASP 47 20.606 -14.409 1.103 351 HB2 ASP 47 1HB ASP 47 23.386 -14.508 1.373 352 HB3 ASP 47 2HB ASP 47 22.858 -16.176 1.581 353 H THR 48 H THR 48 18.933 -15.587 1.757 354 HA THR 48 HA THR 48 18.901 -17.058 4.197 355 HB THR 48 HB THR 48 16.972 -17.136 1.868 356 HG1 THR 48 HG1 THR 48 17.200 -15.553 4.191 357 HG21 THR 48 3HG2 THR 48 16.629 -18.128 4.701 358 HG22 THR 48 1HG2 THR 48 16.816 -19.146 3.273 359 HG23 THR 48 2HG2 THR 48 15.390 -18.122 3.446 360 H ASP 49 H ASP 49 19.616 -17.840 0.879 361 HA ASP 49 HA ASP 49 19.932 -20.671 1.635 362 HB2 ASP 49 1HB ASP 49 19.980 -20.723 -1.082 363 HB3 ASP 49 2HB ASP 49 18.528 -20.964 -0.115 364 H GLY 50 H GLY 50 21.554 -17.834 0.766 365 HA2 GLY 50 1HA GLY 50 23.744 -17.366 0.264 366 HA3 GLY 50 2HA GLY 50 24.110 -18.882 1.073 367 H ASP 51 H ASP 51 23.166 -17.480 -2.034 368 HA ASP 51 HA ASP 51 24.555 -19.718 -3.355 369 HB2 ASP 51 1HB ASP 51 22.929 -19.876 -5.012 370 HB3 ASP 51 2HB ASP 51 21.963 -19.568 -3.571 371 H GLY 52 H GLY 52 25.154 -16.782 -2.528 372 HA2 GLY 52 1HA GLY 52 26.824 -15.390 -3.395 373 HA3 GLY 52 2HA GLY 52 26.651 -16.188 -4.951 374 H PHE 53 H PHE 53 23.623 -15.413 -3.826 375 HA PHE 53 HA PHE 53 23.620 -12.682 -4.836 376 HB2 PHE 53 1HB PHE 53 22.032 -14.919 -6.103 377 HB3 PHE 53 2HB PHE 53 21.709 -13.211 -6.381 378 HD1 PHE 53 HD2 PHE 53 24.066 -15.960 -6.958 379 HD2 PHE 53 HD1 PHE 53 23.139 -11.886 -7.771 380 HE1 PHE 53 HE2 PHE 53 25.734 -15.945 -8.767 381 HE2 PHE 53 HE1 PHE 53 24.805 -11.865 -9.582 382 HZ PHE 53 HZ PHE 53 26.106 -13.895 -10.081 383 H ILE 54 H ILE 54 21.899 -11.447 -4.112 384 HA ILE 54 HA ILE 54 20.327 -12.683 -1.965 385 HB ILE 54 HB ILE 54 21.018 -9.803 -2.528 386 HG12 ILE 54 1HG1 ILE 54 22.768 -11.155 -1.450 387 HG13 ILE 54 2HG1 ILE 54 22.138 -9.932 -0.353 388 HG21 ILE 54 1HG2 ILE 54 19.793 -9.858 -0.064 389 HG22 ILE 54 2HG2 ILE 54 19.079 -9.267 -1.564 390 HG23 ILE 54 3HG2 ILE 54 18.785 -10.925 -1.041 391 HD11 ILE 54 3HD1 ILE 54 22.285 -11.800 0.986 392 HD12 ILE 54 1HD1 ILE 54 20.595 -11.825 0.485 393 HD13 ILE 54 2HD1 ILE 54 21.764 -12.890 -0.297 394 H ASP 55 H ASP 55 18.457 -13.446 -2.749 395 HA ASP 55 HA ASP 55 17.069 -12.374 -4.964 396 HB2 ASP 55 1HB ASP 55 15.806 -14.034 -2.787 397 HB3 ASP 55 2HB ASP 55 15.373 -13.963 -4.493 398 H PHE 56 H PHE 56 14.462 -12.109 -4.336 399 HA PHE 56 HA PHE 56 14.418 -9.511 -3.073 400 HB2 PHE 56 1HB PHE 56 13.133 -10.164 -5.183 401 HB3 PHE 56 2HB PHE 56 12.033 -11.031 -4.117 402 HD1 PHE 56 HD1 PHE 56 11.157 -9.580 -2.074 403 HD2 PHE 56 HD2 PHE 56 12.598 -8.012 -5.759 404 HE1 PHE 56 HE1 PHE 56 9.903 -7.500 -1.675 405 HE2 PHE 56 HE2 PHE 56 11.348 -5.930 -5.367 406 HZ PHE 56 HZ PHE 56 9.999 -5.672 -3.322 407 H ASN 57 H ASN 57 13.149 -12.741 -2.438 408 HA ASN 57 HA ASN 57 11.523 -12.130 -0.246 409 HB2 ASN 57 1HB ASN 57 12.746 -14.548 -1.389 410 HB3 ASN 57 2HB ASN 57 12.442 -14.642 0.343 411 HD21 ASN 57 2HD2 ASN 57 10.900 -13.801 -2.722 412 HD22 ASN 57 1HD2 ASN 57 9.320 -14.339 -2.277 413 H GLU 58 H GLU 58 14.763 -13.622 -0.101 414 HA GLU 58 HA GLU 58 15.176 -13.320 2.616 415 HB2 GLU 58 1HB GLU 58 17.637 -13.361 2.028 416 HB3 GLU 58 2HB GLU 58 16.678 -14.694 1.399 417 HG2 GLU 58 1HG GLU 58 16.495 -13.092 -0.697 418 HG3 GLU 58 2HG GLU 58 18.002 -12.463 -0.034 419 H PHE 59 H PHE 59 15.524 -10.983 0.043 420 HA PHE 59 HA PHE 59 17.101 -9.056 1.244 421 HB2 PHE 59 1HB PHE 59 16.078 -9.109 -1.124 422 HB3 PHE 59 2HB PHE 59 14.681 -8.329 -0.391 423 HD1 PHE 59 HD1 PHE 59 18.393 -7.932 -0.257 424 HD2 PHE 59 HD2 PHE 59 14.592 -6.065 -0.686 425 HE1 PHE 59 HE1 PHE 59 19.497 -5.746 -0.493 426 HE2 PHE 59 HE2 PHE 59 15.690 -3.876 -0.923 427 HZ PHE 59 HZ PHE 59 18.146 -3.714 -0.828 428 H ILE 60 H ILE 60 13.628 -9.617 1.594 429 HA ILE 60 HA ILE 60 13.313 -7.389 3.408 430 HB ILE 60 HB ILE 60 11.258 -9.538 3.014 431 HG12 ILE 60 1HG1 ILE 60 11.869 -7.254 1.127 432 HG13 ILE 60 2HG1 ILE 60 12.014 -8.971 0.769 433 HG21 ILE 60 1HG2 ILE 60 10.981 -7.687 4.690 434 HG22 ILE 60 2HG2 ILE 60 10.934 -6.564 3.332 435 HG23 ILE 60 3HG2 ILE 60 9.697 -7.810 3.487 436 HD11 ILE 60 3HD1 ILE 60 9.944 -8.931 0.005 437 HD12 ILE 60 1HD1 ILE 60 9.379 -8.574 1.637 438 HD13 ILE 60 2HD1 ILE 60 9.746 -7.257 0.522 439 H SER 61 H SER 61 13.795 -10.834 3.597 440 HA SER 61 HA SER 61 12.901 -11.398 6.154 441 HB2 SER 61 1HB SER 61 13.632 -13.208 4.789 442 HB3 SER 61 2HB SER 61 15.237 -12.505 4.592 443 HG SER 61 HG SER 61 15.144 -14.229 6.144 444 H PHE 62 H PHE 62 16.083 -10.176 5.154 445 HA PHE 62 HA PHE 62 16.912 -9.865 7.916 446 HB2 PHE 62 1HB PHE 62 18.242 -10.183 5.440 447 HB3 PHE 62 2HB PHE 62 18.700 -8.600 6.060 448 HD1 PHE 62 HD1 PHE 62 18.210 -12.050 7.404 449 HD2 PHE 62 HD2 PHE 62 20.615 -8.539 7.307 450 HE1 PHE 62 HE1 PHE 62 19.826 -13.119 8.921 451 HE2 PHE 62 HE2 PHE 62 22.235 -9.602 8.823 452 HZ PHE 62 HZ PHE 62 21.842 -11.895 9.632 453 H CYS 63 H CYS 63 16.322 -7.761 5.111 454 HA CYS 63 HA CYS 63 16.868 -5.307 6.223 455 HB2 CYS 63 1HB CYS 63 16.346 -5.443 3.896 456 HB3 CYS 63 2HB CYS 63 14.749 -6.104 4.227 457 HG CYS 63 HG CYS 63 15.742 -2.932 4.062 458 H ASN 64 H ASN 64 13.966 -7.271 6.577 459 HA ASN 64 HA ASN 64 12.281 -5.421 7.786 460 HB2 ASN 64 1HB ASN 64 11.527 -7.639 7.065 461 HB3 ASN 64 2HB ASN 64 12.495 -8.390 8.330 462 HD21 ASN 64 2HD2 ASN 64 10.443 -5.513 8.421 463 HD22 ASN 64 1HD2 ASN 64 9.376 -6.099 9.648 464 H ALA 65 H ALA 65 14.918 -7.301 9.134 465 HA ALA 65 HA ALA 65 14.353 -6.761 11.864 466 HB1 ALA 65 1HB ALA 65 16.316 -8.205 10.378 467 HB2 ALA 65 2HB ALA 65 17.126 -7.182 11.565 468 HB3 ALA 65 3HB ALA 65 15.899 -8.336 12.087 469 H ASN 66 H ASN 66 15.670 -4.874 9.344 470 HA ASN 66 HA ASN 66 16.777 -2.952 11.282 471 HB2 ASN 66 1HB ASN 66 17.439 -3.481 8.388 472 HB3 ASN 66 2HB ASN 66 17.924 -1.994 9.197 473 HD21 ASN 66 2HD2 ASN 66 17.877 -5.442 10.048 474 HD22 ASN 66 1HD2 ASN 66 19.522 -5.507 10.573 475 HA PRO 67 HA PRO 67 12.882 -1.020 9.735 476 HB2 PRO 67 1HB PRO 67 12.233 0.095 12.124 477 HB3 PRO 67 2HB PRO 67 11.804 -1.564 11.690 478 HG2 PRO 67 1HG PRO 67 14.074 -0.573 13.371 479 HG3 PRO 67 2HG PRO 67 12.996 -1.953 13.648 480 HD2 PRO 67 1HD PRO 67 15.496 -2.236 12.648 481 HD3 PRO 67 2HD PRO 67 14.160 -3.315 12.199 482 H GLY 68 H GLY 68 15.674 0.157 11.472 483 HA2 GLY 68 1HA GLY 68 15.058 2.945 11.063 484 HA3 GLY 68 2HA GLY 68 16.559 2.288 11.698 485 H LEU 69 H LEU 69 16.543 0.471 9.209 486 HA LEU 69 HA LEU 69 18.023 2.352 7.549 487 HB2 LEU 69 1HB LEU 69 19.011 0.178 8.161 488 HB3 LEU 69 2HB LEU 69 17.711 -0.636 7.293 489 HG LEU 69 HG LEU 69 19.598 1.259 5.921 490 HD11 LEU 69 1HD1 LEU 69 20.106 -1.446 6.910 491 HD12 LEU 69 2HD1 LEU 69 21.232 -0.199 6.378 492 HD13 LEU 69 3HD1 LEU 69 20.434 -1.229 5.191 493 HD21 LEU 69 3HD2 LEU 69 18.812 -0.727 4.189 494 HD22 LEU 69 1HD2 LEU 69 18.122 0.893 4.289 495 HD23 LEU 69 2HD2 LEU 69 17.364 -0.443 5.156 496 H MET 70 H MET 70 15.408 -0.033 7.173 497 HA MET 70 HA MET 70 14.820 0.368 4.504 498 HB2 MET 70 1HB MET 70 12.500 -0.360 5.094 499 HB3 MET 70 2HB MET 70 13.765 -1.415 5.711 500 HG2 MET 70 1HG MET 70 13.515 -0.571 7.913 501 HG3 MET 70 2HG MET 70 12.471 0.737 7.358 502 HE1 MET 70 3HE MET 70 12.658 -2.830 6.212 503 HE2 MET 70 1HE MET 70 12.448 -3.383 7.874 504 HE3 MET 70 2HE MET 70 11.140 -3.581 6.707 505 H LYS 71 H LYS 71 14.250 2.452 7.197 506 HA LYS 71 HA LYS 71 12.257 4.064 5.876 507 HB2 LYS 71 1HB LYS 71 13.786 4.318 8.456 508 HB3 LYS 71 2HB LYS 71 12.771 5.625 7.861 509 HG2 LYS 71 1HG LYS 71 10.877 3.967 7.786 510 HG3 LYS 71 2HG LYS 71 11.930 2.854 8.663 511 HD2 LYS 71 1HD LYS 71 11.626 5.597 9.754 512 HD3 LYS 71 2HD LYS 71 10.245 4.507 9.900 513 HE2 LYS 71 1HE LYS 71 11.481 2.947 11.161 514 HE3 LYS 71 2HE LYS 71 13.017 3.697 10.731 515 HZ1 LYS 71 3HZ LYS 71 11.154 5.430 12.107 516 HZ2 LYS 71 1HZ LYS 71 12.817 5.223 12.341 517 HZ3 LYS 71 2HZ LYS 71 11.723 4.132 13.030 518 H ASP 72 H ASP 72 15.722 4.076 6.274 519 HA ASP 72 HA ASP 72 16.011 6.763 5.229 520 HB2 ASP 72 1HB ASP 72 17.652 4.932 6.694 521 HB3 ASP 72 2HB ASP 72 18.502 5.400 5.223 522 H VAL 73 H VAL 73 16.484 3.443 4.137 523 HA VAL 73 HA VAL 73 17.657 4.114 1.637 524 HB VAL 73 HB VAL 73 17.960 1.894 2.563 525 HG11 VAL 73 1HG1 VAL 73 15.220 0.989 1.952 526 HG12 VAL 73 2HG1 VAL 73 16.313 0.512 3.253 527 HG13 VAL 73 3HG1 VAL 73 15.397 2.015 3.375 528 HG21 VAL 73 3HG2 VAL 73 18.097 2.097 0.154 529 HG22 VAL 73 1HG2 VAL 73 17.373 0.546 0.582 530 HG23 VAL 73 2HG2 VAL 73 16.354 1.867 0.008 531 H ALA 74 H ALA 74 14.352 3.568 2.722 532 HA ALA 74 HA ALA 74 13.223 3.657 0.087 533 HB1 ALA 74 1HB ALA 74 11.665 4.139 2.600 534 HB2 ALA 74 2HB ALA 74 11.152 3.359 1.103 535 HB3 ALA 74 3HB ALA 74 12.263 2.530 2.194 536 H LYS 75 H LYS 75 14.727 5.986 1.718 537 HA LYS 75 HA LYS 75 12.808 8.125 1.203 538 HB2 LYS 75 1HB LYS 75 13.954 9.379 2.711 539 HB3 LYS 75 2HB LYS 75 14.510 7.802 3.255 540 HG2 LYS 75 1HG LYS 75 16.458 8.144 1.624 541 HG3 LYS 75 2HG LYS 75 15.960 9.838 1.606 542 HD2 LYS 75 1HD LYS 75 16.236 8.580 4.266 543 HD3 LYS 75 2HD LYS 75 17.730 8.831 3.361 544 HE2 LYS 75 1HE LYS 75 16.599 11.222 2.984 545 HE3 LYS 75 2HE LYS 75 15.850 10.803 4.524 546 HZ1 LYS 75 3HZ LYS 75 17.849 11.978 4.973 547 HZ2 LYS 75 1HZ LYS 75 18.751 10.993 3.934 548 HZ3 LYS 75 2HZ LYS 75 18.129 10.358 5.373 549 H VAL 76 H VAL 76 15.767 6.782 -0.048 550 HA VAL 76 HA VAL 76 15.698 8.777 -2.215 551 HB VAL 76 HB VAL 76 17.628 9.192 -0.727 552 HG11 VAL 76 1HG1 VAL 76 19.091 6.811 -1.622 553 HG12 VAL 76 2HG1 VAL 76 19.074 7.612 -0.049 554 HG13 VAL 76 3HG1 VAL 76 17.783 6.491 -0.484 555 HG21 VAL 76 3HG2 VAL 76 19.261 8.399 -2.875 556 HG22 VAL 76 1HG2 VAL 76 17.678 8.767 -3.559 557 HG23 VAL 76 2HG2 VAL 76 18.528 9.979 -2.600 558 H PHE 77 H PHE 77 16.315 5.477 -1.219 559 HA PHE 77 HA PHE 77 16.671 4.652 -4.007 560 HB2 PHE 77 1HB PHE 77 17.382 3.490 -1.369 561 HB3 PHE 77 2HB PHE 77 16.964 2.353 -2.646 562 HD1 PHE 77 HD2 PHE 77 18.655 5.600 -3.123 563 HD2 PHE 77 HD1 PHE 77 19.072 1.366 -2.995 564 HE1 PHE 77 HE2 PHE 77 20.929 5.799 -4.041 565 HE2 PHE 77 HE1 PHE 77 21.347 1.559 -3.912 566 HZ PHE 77 HZ PHE 77 22.278 3.777 -4.437 Start of MODEL 13 1 H1 ALA 1 H ALA 1 0.270 -2.556 -0.888 2 HA ALA 1 HA ALA 1 2.207 -0.831 -2.147 3 HB1 ALA 1 1HB ALA 1 0.248 -0.173 -0.586 4 HB2 ALA 1 2HB ALA 1 1.370 -0.580 0.713 5 HB3 ALA 1 3HB ALA 1 1.785 0.682 -0.447 6 H ASP 2 H ASP 2 4.142 -1.895 -2.335 7 HA ASP 2 HA ASP 2 5.481 -2.569 0.200 8 HB2 ASP 2 1HB ASP 2 5.491 -4.088 -2.402 9 HB3 ASP 2 2HB ASP 2 6.771 -4.286 -1.208 10 H ASP 3 H ASP 3 6.745 -0.806 0.444 11 HA ASP 3 HA ASP 3 7.938 0.696 -1.581 12 HB2 ASP 3 1HB ASP 3 9.142 0.346 1.161 13 HB3 ASP 3 2HB ASP 3 9.196 1.766 0.120 14 H MET 4 H MET 4 8.877 -2.317 -0.154 15 HA MET 4 HA MET 4 11.617 -2.290 -0.834 16 HB2 MET 4 1HB MET 4 9.761 -4.657 -0.529 17 HB3 MET 4 2HB MET 4 11.518 -4.724 -0.526 18 HG2 MET 4 1HG MET 4 9.936 -3.140 1.475 19 HG3 MET 4 2HG MET 4 10.399 -4.822 1.721 20 HE1 MET 4 3HE MET 4 13.093 -5.498 2.505 21 HE2 MET 4 1HE MET 4 12.903 -5.380 0.755 22 HE3 MET 4 2HE MET 4 14.279 -4.610 1.546 23 H GLU 5 H GLU 5 8.751 -2.809 -2.687 24 HA GLU 5 HA GLU 5 9.868 -4.310 -4.810 25 HB2 GLU 5 1HB GLU 5 7.479 -4.235 -4.539 26 HB3 GLU 5 2HB GLU 5 7.467 -2.483 -4.694 27 HG2 GLU 5 1HG GLU 5 8.101 -2.634 -7.010 28 HG3 GLU 5 2HG GLU 5 8.283 -4.383 -6.880 29 H ARG 6 H ARG 6 9.281 -0.824 -4.415 30 HA ARG 6 HA ARG 6 10.452 -0.126 -6.917 31 HB2 ARG 6 1HB ARG 6 10.399 2.204 -5.977 32 HB3 ARG 6 2HB ARG 6 8.849 1.375 -5.979 33 HG2 ARG 6 1HG ARG 6 9.024 0.926 -3.626 34 HG3 ARG 6 2HG ARG 6 10.661 1.584 -3.586 35 HD2 ARG 6 1HD ARG 6 8.372 3.262 -4.533 36 HD3 ARG 6 2HD ARG 6 8.673 3.058 -2.808 37 HE ARG 6 HE ARG 6 11.081 3.790 -3.983 38 HH11 ARG 6 1HH1 ARG 6 7.910 5.142 -3.493 39 HH12 ARG 6 2HH1 ARG 6 8.472 6.780 -3.452 40 HH21 ARG 6 1HH2 ARG 6 11.833 5.943 -3.930 41 HH22 ARG 6 2HH2 ARG 6 10.704 7.235 -3.701 42 H ILE 7 H ILE 7 11.622 -0.297 -3.600 43 HA ILE 7 HA ILE 7 14.144 0.919 -4.120 44 HB ILE 7 HB ILE 7 13.292 -0.898 -1.863 45 HG12 ILE 7 1HG1 ILE 7 13.764 2.034 -1.570 46 HG13 ILE 7 2HG1 ILE 7 12.268 1.506 -2.332 47 HG21 ILE 7 1HG2 ILE 7 15.864 0.367 -2.531 48 HG22 ILE 7 2HG2 ILE 7 15.332 0.553 -0.861 49 HG23 ILE 7 3HG2 ILE 7 15.518 -1.058 -1.552 50 HD11 ILE 7 3HD1 ILE 7 13.096 1.406 0.466 51 HD12 ILE 7 1HD1 ILE 7 11.484 1.465 -0.244 52 HD13 ILE 7 2HD1 ILE 7 12.339 -0.073 -0.124 53 H PHE 8 H PHE 8 12.918 -2.355 -4.266 54 HA PHE 8 HA PHE 8 15.374 -3.724 -4.336 55 HB2 PHE 8 1HB PHE 8 13.388 -4.988 -3.955 56 HB3 PHE 8 2HB PHE 8 12.652 -4.406 -5.445 57 HD1 PHE 8 HD1 PHE 8 15.212 -6.636 -4.033 58 HD2 PHE 8 HD2 PHE 8 13.121 -5.431 -7.539 59 HE1 PHE 8 HE1 PHE 8 16.080 -8.607 -5.224 60 HE2 PHE 8 HE2 PHE 8 13.984 -7.400 -8.735 61 HZ PHE 8 HZ PHE 8 15.465 -8.992 -7.577 62 H LYS 9 H LYS 9 13.713 -1.837 -6.699 63 HA LYS 9 HA LYS 9 14.921 -2.934 -9.024 64 HB2 LYS 9 1HB LYS 9 13.963 -0.092 -8.762 65 HB3 LYS 9 2HB LYS 9 13.985 -1.107 -10.198 66 HG2 LYS 9 1HG LYS 9 12.181 -1.391 -7.807 67 HG3 LYS 9 2HG LYS 9 11.728 -0.882 -9.435 68 HD2 LYS 9 1HD LYS 9 12.813 -3.594 -8.675 69 HD3 LYS 9 2HD LYS 9 11.122 -3.220 -9.014 70 HE2 LYS 9 1HE LYS 9 13.411 -2.915 -10.956 71 HE3 LYS 9 2HE LYS 9 12.254 -4.245 -10.940 72 HZ1 LYS 9 3HZ LYS 9 11.541 -1.390 -11.337 73 HZ2 LYS 9 1HZ LYS 9 10.486 -2.710 -11.422 74 HZ3 LYS 9 2HZ LYS 9 11.705 -2.525 -12.580 75 H ARG 10 H ARG 10 15.988 -0.727 -6.596 76 HA ARG 10 HA ARG 10 18.105 0.405 -8.207 77 HB2 ARG 10 1HB ARG 10 17.758 0.600 -5.214 78 HB3 ARG 10 2HB ARG 10 18.698 1.662 -6.253 79 HG2 ARG 10 1HG ARG 10 15.703 1.373 -6.341 80 HG3 ARG 10 2HG ARG 10 16.578 2.666 -5.519 81 HD2 ARG 10 1HD ARG 10 17.382 3.553 -7.540 82 HD3 ARG 10 2HD ARG 10 16.974 2.092 -8.439 83 HE ARG 10 HE ARG 10 14.666 3.327 -7.314 84 HH11 ARG 10 1HH1 ARG 10 16.930 3.505 -9.953 85 HH12 ARG 10 2HH1 ARG 10 15.816 4.284 -11.027 86 HH21 ARG 10 1HH2 ARG 10 13.191 4.353 -8.719 87 HH22 ARG 10 2HH2 ARG 10 13.690 4.767 -10.324 88 H PHE 11 H PHE 11 17.980 -1.628 -5.278 89 HA PHE 11 HA PHE 11 20.696 -2.201 -5.117 90 HB2 PHE 11 1HB PHE 11 18.259 -3.737 -4.233 91 HB3 PHE 11 2HB PHE 11 19.888 -4.329 -3.927 92 HD1 PHE 11 HD1 PHE 11 17.675 -1.399 -3.374 93 HD2 PHE 11 HD2 PHE 11 21.065 -3.612 -2.059 94 HE1 PHE 11 HE1 PHE 11 17.793 -0.009 -1.347 95 HE2 PHE 11 HE2 PHE 11 21.187 -2.226 -0.030 96 HZ PHE 11 HZ PHE 11 19.549 -0.422 0.329 97 H ASP 12 H ASP 12 18.207 -3.588 -7.137 98 HA ASP 12 HA ASP 12 19.964 -5.716 -8.062 99 HB2 ASP 12 1HB ASP 12 17.617 -6.267 -7.714 100 HB3 ASP 12 2HB ASP 12 17.127 -4.995 -8.829 101 H THR 13 H THR 13 21.382 -3.743 -8.750 102 HA THR 13 HA THR 13 20.763 -2.190 -10.978 103 HB THR 13 HB THR 13 23.429 -3.221 -10.006 104 HG1 THR 13 HG1 THR 13 23.399 -1.459 -8.813 105 HG21 THR 13 3HG2 THR 13 22.851 -1.183 -12.158 106 HG22 THR 13 1HG2 THR 13 23.642 -2.744 -12.375 107 HG23 THR 13 2HG2 THR 13 24.436 -1.475 -11.442 108 H ASN 14 H ASN 14 21.486 -5.543 -10.753 109 HA ASN 14 HA ASN 14 22.282 -5.832 -13.516 110 HB2 ASN 14 1HB ASN 14 23.294 -7.384 -12.039 111 HB3 ASN 14 2HB ASN 14 21.756 -7.789 -11.284 112 HD21 ASN 14 2HD2 ASN 14 22.314 -7.462 -14.728 113 HD22 ASN 14 1HD2 ASN 14 22.046 -9.123 -15.120 114 H GLY 15 H GLY 15 19.365 -5.531 -11.858 115 HA2 GLY 15 1HA GLY 15 17.168 -5.949 -12.408 116 HA3 GLY 15 2HA GLY 15 17.710 -5.602 -14.043 117 H ASP 16 H ASP 16 18.477 -8.326 -11.899 118 HA ASP 16 HA ASP 16 17.336 -10.119 -13.942 119 HB2 ASP 16 1HB ASP 16 19.219 -11.342 -13.958 120 HB3 ASP 16 2HB ASP 16 19.974 -9.999 -13.103 121 H GLY 17 H GLY 17 17.153 -9.045 -10.751 122 HA2 GLY 17 1HA GLY 17 15.237 -9.692 -9.433 123 HA3 GLY 17 2HA GLY 17 15.397 -11.317 -10.083 124 H LYS 18 H LYS 18 18.350 -9.852 -9.238 125 HA LYS 18 HA LYS 18 18.334 -10.785 -6.495 126 HB2 LYS 18 1HB LYS 18 20.384 -11.944 -8.374 127 HB3 LYS 18 2HB LYS 18 20.047 -12.411 -6.712 128 HG2 LYS 18 1HG LYS 18 17.863 -13.282 -7.412 129 HG3 LYS 18 2HG LYS 18 18.238 -12.845 -9.081 130 HD2 LYS 18 1HD LYS 18 20.337 -14.432 -7.835 131 HD3 LYS 18 2HD LYS 18 18.781 -15.265 -7.867 132 HE2 LYS 18 1HE LYS 18 18.900 -14.200 -10.376 133 HE3 LYS 18 2HE LYS 18 20.596 -14.564 -10.060 134 HZ1 LYS 18 3HZ LYS 18 19.578 -16.455 -11.070 135 HZ2 LYS 18 1HZ LYS 18 18.317 -16.462 -9.942 136 HZ3 LYS 18 2HZ LYS 18 19.891 -16.841 -9.453 137 H ILE 19 H ILE 19 20.356 -10.253 -5.362 138 HA ILE 19 HA ILE 19 21.731 -7.974 -6.629 139 HB ILE 19 HB ILE 19 21.530 -8.232 -3.656 140 HG12 ILE 19 1HG1 ILE 19 19.227 -8.439 -4.349 141 HG13 ILE 19 2HG1 ILE 19 19.480 -6.805 -3.745 142 HG21 ILE 19 1HG2 ILE 19 22.163 -6.134 -5.651 143 HG22 ILE 19 2HG2 ILE 19 21.366 -5.627 -4.162 144 HG23 ILE 19 3HG2 ILE 19 22.909 -6.478 -4.090 145 HD11 ILE 19 3HD1 ILE 19 19.979 -6.818 -6.541 146 HD12 ILE 19 1HD1 ILE 19 18.436 -7.615 -6.235 147 HD13 ILE 19 2HD1 ILE 19 18.716 -5.977 -5.642 148 H SER 20 H SER 20 23.815 -8.297 -6.994 149 HA SER 20 HA SER 20 25.220 -10.362 -5.445 150 HB2 SER 20 1HB SER 20 25.050 -10.067 -8.156 151 HB3 SER 20 2HB SER 20 26.569 -9.240 -7.813 152 HG SER 20 HG SER 20 26.910 -11.294 -6.459 153 H LEU 21 H LEU 21 27.822 -9.662 -5.874 154 HA LEU 21 HA LEU 21 28.203 -7.616 -3.930 155 HB2 LEU 21 1HB LEU 21 30.388 -8.650 -5.691 156 HB3 LEU 21 2HB LEU 21 30.465 -8.148 -4.003 157 HG LEU 21 HG LEU 21 29.330 -10.716 -5.101 158 HD11 LEU 21 1HD1 LEU 21 31.249 -11.675 -4.498 159 HD12 LEU 21 2HD1 LEU 21 31.296 -10.814 -2.960 160 HD13 LEU 21 3HD1 LEU 21 31.909 -10.041 -4.421 161 HD21 LEU 21 3HD2 LEU 21 27.990 -10.807 -3.334 162 HD22 LEU 21 1HD2 LEU 21 28.623 -9.281 -2.717 163 HD23 LEU 21 2HD2 LEU 21 29.419 -10.799 -2.300 164 H SER 22 H SER 22 28.007 -7.657 -7.361 165 HA SER 22 HA SER 22 29.425 -5.164 -7.731 166 HB2 SER 22 1HB SER 22 28.813 -7.296 -9.389 167 HB3 SER 22 2HB SER 22 27.731 -6.022 -9.952 168 HG SER 22 HG SER 22 30.210 -6.278 -10.593 169 H GLU 23 H GLU 23 26.111 -6.271 -7.469 170 HA GLU 23 HA GLU 23 25.026 -3.676 -8.166 171 HB2 GLU 23 1HB GLU 23 23.536 -6.041 -7.028 172 HB3 GLU 23 2HB GLU 23 22.869 -4.681 -7.921 173 HG2 GLU 23 1HG GLU 23 23.767 -5.432 -9.953 174 HG3 GLU 23 2HG GLU 23 24.848 -6.569 -9.149 175 H LEU 24 H LEU 24 24.909 -5.786 -5.291 176 HA LEU 24 HA LEU 24 23.672 -4.107 -3.519 177 HB2 LEU 24 1HB LEU 24 24.612 -6.511 -3.239 178 HB3 LEU 24 2HB LEU 24 26.055 -5.692 -2.645 179 HG LEU 24 HG LEU 24 23.410 -5.053 -1.418 180 HD11 LEU 24 1HD1 LEU 24 24.916 -7.200 -0.113 181 HD12 LEU 24 2HD1 LEU 24 24.136 -7.662 -1.625 182 HD13 LEU 24 3HD1 LEU 24 23.177 -6.985 -0.309 183 HD21 LEU 24 3HD2 LEU 24 25.828 -4.034 -0.992 184 HD22 LEU 24 1HD2 LEU 24 25.935 -5.423 0.089 185 HD23 LEU 24 2HD2 LEU 24 24.648 -4.236 0.304 186 H THR 25 H THR 25 27.173 -4.278 -4.145 187 HA THR 25 HA THR 25 28.054 -2.348 -2.388 188 HB THR 25 HB THR 25 29.558 -3.750 -3.759 189 HG1 THR 25 HG1 THR 25 30.917 -1.762 -4.425 190 HG21 THR 25 3HG2 THR 25 28.146 -3.180 -5.892 191 HG22 THR 25 1HG2 THR 25 29.877 -3.482 -6.029 192 HG23 THR 25 2HG2 THR 25 29.267 -1.827 -6.026 193 H ASP 26 H ASP 26 26.645 -1.921 -5.595 194 HA ASP 26 HA ASP 26 27.153 0.783 -5.978 195 HB2 ASP 26 1HB ASP 26 25.665 -1.197 -7.272 196 HB3 ASP 26 2HB ASP 26 24.497 0.066 -6.894 197 H ALA 27 H ALA 27 24.926 -0.783 -3.839 198 HA ALA 27 HA ALA 27 23.381 1.620 -3.348 199 HB1 ALA 27 1HB ALA 27 22.964 -1.144 -2.982 200 HB2 ALA 27 2HB ALA 27 22.914 -0.400 -1.383 201 HB3 ALA 27 3HB ALA 27 21.843 0.179 -2.659 202 H LEU 28 H LEU 28 25.352 -0.543 -1.299 203 HA LEU 28 HA LEU 28 25.470 1.145 0.921 204 HB2 LEU 28 1HB LEU 28 27.667 -0.736 0.105 205 HB3 LEU 28 2HB LEU 28 27.212 -0.238 1.733 206 HG LEU 28 HG LEU 28 25.745 -2.129 -0.097 207 HD11 LEU 28 1HD1 LEU 28 26.063 -3.231 2.422 208 HD12 LEU 28 2HD1 LEU 28 27.589 -2.402 2.120 209 HD13 LEU 28 3HD1 LEU 28 27.004 -3.613 0.979 210 HD21 LEU 28 3HD2 LEU 28 23.992 -0.926 0.866 211 HD22 LEU 28 1HD2 LEU 28 24.839 -0.738 2.401 212 HD23 LEU 28 2HD2 LEU 28 24.194 -2.313 1.939 213 H ARG 29 H ARG 29 27.077 1.336 -2.101 214 HA ARG 29 HA ARG 29 29.195 3.061 -1.106 215 HB2 ARG 29 1HB ARG 29 30.136 2.947 -3.262 216 HB3 ARG 29 2HB ARG 29 29.477 1.342 -2.973 217 HG2 ARG 29 1HG ARG 29 28.684 1.655 -5.065 218 HG3 ARG 29 2HG ARG 29 27.368 2.429 -4.179 219 HD2 ARG 29 1HD ARG 29 27.756 4.224 -5.446 220 HD3 ARG 29 2HD ARG 29 29.213 4.454 -4.480 221 HE ARG 29 HE ARG 29 29.936 2.701 -6.460 222 HH11 ARG 29 1HH1 ARG 29 28.600 5.914 -6.334 223 HH12 ARG 29 2HH1 ARG 29 29.330 6.416 -7.823 224 HH21 ARG 29 1HH2 ARG 29 30.902 3.351 -8.421 225 HH22 ARG 29 2HH2 ARG 29 30.638 4.958 -9.010 226 H THR 30 H THR 30 26.054 3.314 -2.484 227 HA THR 30 HA THR 30 26.416 6.072 -3.327 228 HB THR 30 HB THR 30 23.991 4.270 -3.361 229 HG1 THR 30 HG1 THR 30 24.432 4.105 -5.511 230 HG21 THR 30 3HG2 THR 30 23.296 6.592 -3.044 231 HG22 THR 30 1HG2 THR 30 22.894 6.033 -4.667 232 HG23 THR 30 2HG2 THR 30 24.288 7.085 -4.416 233 H LEU 31 H LEU 31 25.074 4.267 -0.661 234 HA LEU 31 HA LEU 31 24.098 6.767 0.545 235 HB2 LEU 31 1HB LEU 31 23.454 4.111 1.712 236 HB3 LEU 31 2HB LEU 31 22.496 5.590 1.678 237 HG LEU 31 HG LEU 31 22.832 3.544 -0.503 238 HD11 LEU 31 1HD1 LEU 31 20.496 3.246 -0.302 239 HD12 LEU 31 2HD1 LEU 31 20.327 4.671 0.723 240 HD13 LEU 31 3HD1 LEU 31 21.139 3.232 1.340 241 HD21 LEU 31 3HD2 LEU 31 21.039 5.734 -1.114 242 HD22 LEU 31 1HD2 LEU 31 22.321 5.018 -2.090 243 HD23 LEU 31 2HD2 LEU 31 22.705 6.282 -0.921 244 H GLY 32 H GLY 32 26.448 4.275 0.787 245 HA2 GLY 32 1HA GLY 32 27.295 5.360 3.404 246 HA3 GLY 32 2HA GLY 32 27.441 3.657 2.995 247 H SER 33 H SER 33 28.208 4.464 0.186 248 HA SER 33 HA SER 33 30.088 4.909 -1.024 249 HB2 SER 33 1HB SER 33 31.449 6.234 1.283 250 HB3 SER 33 2HB SER 33 31.436 6.685 -0.422 251 HG SER 33 HG SER 33 29.344 7.461 -0.165 252 H THR 34 H THR 34 29.773 2.539 0.637 253 HA THR 34 HA THR 34 32.459 1.921 1.567 254 HB THR 34 HB THR 34 30.249 1.172 2.702 255 HG1 THR 34 HG1 THR 34 32.207 0.397 3.450 256 HG21 THR 34 3HG2 THR 34 29.523 0.145 0.411 257 HG22 THR 34 1HG2 THR 34 29.145 -0.701 1.911 258 HG23 THR 34 2HG2 THR 34 30.512 -1.221 0.927 259 H SER 35 H SER 35 32.812 -0.681 0.992 260 HA SER 35 HA SER 35 32.829 -0.790 -1.953 261 HB2 SER 35 1HB SER 35 34.987 -1.864 -0.124 262 HB3 SER 35 2HB SER 35 35.015 -1.831 -1.887 263 HG SER 35 HG SER 35 36.035 -0.011 -1.515 264 H ALA 36 H ALA 36 33.696 -3.262 -2.443 265 HA ALA 36 HA ALA 36 31.448 -4.883 -1.794 266 HB1 ALA 36 1HB ALA 36 33.753 -6.311 -2.863 267 HB2 ALA 36 2HB ALA 36 32.124 -6.136 -3.516 268 HB3 ALA 36 3HB ALA 36 33.326 -4.876 -3.795 269 H ASP 37 H ASP 37 34.597 -4.457 -0.422 270 HA ASP 37 HA ASP 37 35.081 -6.856 0.838 271 HB2 ASP 37 1HB ASP 37 36.355 -4.524 0.851 272 HB3 ASP 37 2HB ASP 37 35.538 -4.359 2.403 273 H GLU 38 H GLU 38 32.736 -4.396 1.646 274 HA GLU 38 HA GLU 38 31.997 -5.836 4.089 275 HB2 GLU 38 1HB GLU 38 30.759 -3.254 3.182 276 HB3 GLU 38 2HB GLU 38 30.899 -3.896 4.813 277 HG2 GLU 38 1HG GLU 38 33.188 -2.891 3.138 278 HG3 GLU 38 2HG GLU 38 32.384 -1.989 4.421 279 H VAL 39 H VAL 39 30.976 -5.246 0.856 280 HA VAL 39 HA VAL 39 28.210 -5.691 1.107 281 HB VAL 39 HB VAL 39 30.094 -6.127 -1.204 282 HG11 VAL 39 1HG1 VAL 39 27.119 -6.534 -1.057 283 HG12 VAL 39 2HG1 VAL 39 27.961 -6.216 -2.575 284 HG13 VAL 39 3HG1 VAL 39 28.352 -7.656 -1.634 285 HG21 VAL 39 3HG2 VAL 39 29.662 -4.002 -1.786 286 HG22 VAL 39 1HG2 VAL 39 27.952 -4.137 -1.376 287 HG23 VAL 39 2HG2 VAL 39 29.139 -3.817 -0.112 288 H GLN 40 H GLN 40 30.739 -7.961 0.010 289 HA GLN 40 HA GLN 40 29.186 -10.241 -0.131 290 HB2 GLN 40 1HB GLN 40 31.381 -11.460 0.384 291 HB3 GLN 40 2HB GLN 40 31.352 -10.400 -1.019 292 HG2 GLN 40 1HG GLN 40 32.741 -8.862 -0.066 293 HG3 GLN 40 2HG GLN 40 32.250 -9.273 1.577 294 HE21 GLN 40 2HE2 GLN 40 32.675 -11.915 1.737 295 HE22 GLN 40 1HE2 GLN 40 34.346 -12.285 1.506 296 H ARG 41 H ARG 41 30.393 -8.586 2.661 297 HA ARG 41 HA ARG 41 29.923 -10.808 4.454 298 HB2 ARG 41 1HB ARG 41 30.431 -7.947 5.249 299 HB3 ARG 41 2HB ARG 41 30.745 -9.405 6.180 300 HG2 ARG 41 1HG ARG 41 32.535 -10.021 4.672 301 HG3 ARG 41 2HG ARG 41 32.189 -8.619 3.658 302 HD2 ARG 41 1HD ARG 41 33.047 -7.130 5.192 303 HD3 ARG 41 2HD ARG 41 32.769 -8.214 6.555 304 HE ARG 41 HE ARG 41 34.653 -9.512 5.121 305 HH11 ARG 41 1HH1 ARG 41 34.406 -6.258 6.334 306 HH12 ARG 41 2HH1 ARG 41 36.116 -6.060 6.524 307 HH21 ARG 41 1HH2 ARG 41 36.907 -9.263 5.366 308 HH22 ARG 41 2HH2 ARG 41 37.538 -7.769 5.972 309 H MET 42 H MET 42 28.299 -7.881 3.428 310 HA MET 42 HA MET 42 26.293 -7.953 5.467 311 HB2 MET 42 1HB MET 42 26.763 -5.835 4.478 312 HB3 MET 42 2HB MET 42 26.516 -6.463 2.855 313 HG2 MET 42 1HG MET 42 24.292 -6.212 2.952 314 HG3 MET 42 2HG MET 42 24.204 -6.718 4.637 315 HE1 MET 42 3HE MET 42 26.299 -4.472 6.028 316 HE2 MET 42 1HE MET 42 24.934 -3.528 6.626 317 HE3 MET 42 2HE MET 42 24.847 -5.289 6.608 318 H MET 43 H MET 43 26.476 -8.994 2.089 319 HA MET 43 HA MET 43 23.756 -9.909 2.026 320 HB2 MET 43 1HB MET 43 24.455 -10.934 -0.159 321 HB3 MET 43 2HB MET 43 24.710 -9.198 -0.045 322 HG2 MET 43 1HG MET 43 26.824 -9.486 -0.604 323 HG3 MET 43 2HG MET 43 27.073 -10.434 0.860 324 HE1 MET 43 3HE MET 43 24.640 -11.635 -2.098 325 HE2 MET 43 1HE MET 43 25.805 -10.499 -2.778 326 HE3 MET 43 2HE MET 43 25.875 -12.204 -3.222 327 H ALA 44 H ALA 44 26.824 -11.253 2.899 328 HA ALA 44 HA ALA 44 26.340 -13.980 2.557 329 HB1 ALA 44 1HB ALA 44 28.188 -12.341 4.156 330 HB2 ALA 44 2HB ALA 44 27.904 -13.975 4.758 331 HB3 ALA 44 3HB ALA 44 28.506 -13.732 3.119 332 H GLU 45 H GLU 45 25.238 -11.755 5.009 333 HA GLU 45 HA GLU 45 24.177 -13.922 6.650 334 HB2 GLU 45 1HB GLU 45 23.464 -12.042 8.161 335 HB3 GLU 45 2HB GLU 45 25.199 -12.174 7.907 336 HG2 GLU 45 1HG GLU 45 25.099 -10.364 6.271 337 HG3 GLU 45 2HG GLU 45 23.361 -10.229 6.530 338 H ILE 46 H ILE 46 23.125 -11.431 4.443 339 HA ILE 46 HA ILE 46 20.345 -11.612 5.062 340 HB ILE 46 HB ILE 46 21.742 -10.534 2.612 341 HG12 ILE 46 1HG1 ILE 46 20.442 -9.052 4.904 342 HG13 ILE 46 2HG1 ILE 46 22.167 -9.393 4.817 343 HG21 ILE 46 1HG2 ILE 46 19.599 -9.415 2.126 344 HG22 ILE 46 2HG2 ILE 46 19.484 -11.172 2.037 345 HG23 ILE 46 3HG2 ILE 46 18.853 -10.318 3.445 346 HD11 ILE 46 3HD1 ILE 46 20.671 -7.848 2.719 347 HD12 ILE 46 1HD1 ILE 46 21.495 -7.104 4.089 348 HD13 ILE 46 2HD1 ILE 46 22.417 -8.019 2.896 349 H ASP 47 H ASP 47 22.479 -13.168 2.736 350 HA ASP 47 HA ASP 47 20.572 -14.356 1.085 351 HB2 ASP 47 1HB ASP 47 23.355 -14.436 1.349 352 HB3 ASP 47 2HB ASP 47 22.838 -16.108 1.543 353 H THR 48 H THR 48 18.901 -15.524 1.770 354 HA THR 48 HA THR 48 18.926 -17.037 4.188 355 HB THR 48 HB THR 48 16.919 -17.066 1.925 356 HG1 THR 48 HG1 THR 48 15.766 -15.742 3.582 357 HG21 THR 48 3HG2 THR 48 15.560 -17.722 4.194 358 HG22 THR 48 1HG2 THR 48 17.101 -18.534 4.463 359 HG23 THR 48 2HG2 THR 48 16.160 -18.887 3.014 360 H ASP 49 H ASP 49 19.604 -17.738 0.858 361 HA ASP 49 HA ASP 49 19.831 -20.602 1.512 362 HB2 ASP 49 1HB ASP 49 19.925 -20.558 -1.201 363 HB3 ASP 49 2HB ASP 49 18.446 -20.777 -0.270 364 H GLY 50 H GLY 50 21.553 -17.785 0.786 365 HA2 GLY 50 1HA GLY 50 23.761 -17.365 0.314 366 HA3 GLY 50 2HA GLY 50 24.071 -18.902 1.108 367 H ASP 51 H ASP 51 23.236 -17.427 -1.995 368 HA ASP 51 HA ASP 51 24.627 -19.658 -3.320 369 HB2 ASP 51 1HB ASP 51 23.014 -19.835 -4.984 370 HB3 ASP 51 2HB ASP 51 22.032 -19.530 -3.554 371 H GLY 52 H GLY 52 25.242 -16.758 -2.464 372 HA2 GLY 52 1HA GLY 52 26.878 -15.326 -3.311 373 HA3 GLY 52 2HA GLY 52 26.734 -16.122 -4.871 374 H PHE 53 H PHE 53 23.684 -15.385 -3.782 375 HA PHE 53 HA PHE 53 23.666 -12.657 -4.806 376 HB2 PHE 53 1HB PHE 53 22.120 -14.931 -6.057 377 HB3 PHE 53 2HB PHE 53 21.730 -13.236 -6.325 378 HD1 PHE 53 HD2 PHE 53 24.174 -15.894 -6.946 379 HD2 PHE 53 HD1 PHE 53 23.103 -11.847 -7.715 380 HE1 PHE 53 HE2 PHE 53 25.821 -15.809 -8.772 381 HE2 PHE 53 HE1 PHE 53 24.748 -11.756 -9.543 382 HZ PHE 53 HZ PHE 53 26.110 -13.738 -10.073 383 H ILE 54 H ILE 54 21.866 -11.443 -4.170 384 HA ILE 54 HA ILE 54 20.339 -12.651 -1.970 385 HB ILE 54 HB ILE 54 20.969 -9.770 -2.602 386 HG12 ILE 54 1HG1 ILE 54 22.757 -11.066 -1.510 387 HG13 ILE 54 2HG1 ILE 54 22.114 -9.825 -0.439 388 HG21 ILE 54 1HG2 ILE 54 19.764 -9.815 -0.121 389 HG22 ILE 54 2HG2 ILE 54 19.036 -9.247 -1.623 390 HG23 ILE 54 3HG2 ILE 54 18.768 -10.905 -1.085 391 HD11 ILE 54 3HD1 ILE 54 22.334 -11.677 0.930 392 HD12 ILE 54 1HD1 ILE 54 20.627 -11.700 0.490 393 HD13 ILE 54 2HD1 ILE 54 21.760 -12.789 -0.312 394 H ASP 55 H ASP 55 18.478 -13.460 -2.725 395 HA ASP 55 HA ASP 55 17.071 -12.468 -4.966 396 HB2 ASP 55 1HB ASP 55 15.858 -14.103 -2.740 397 HB3 ASP 55 2HB ASP 55 15.389 -14.064 -4.437 398 H PHE 56 H PHE 56 14.457 -12.241 -4.327 399 HA PHE 56 HA PHE 56 14.372 -9.609 -3.137 400 HB2 PHE 56 1HB PHE 56 13.090 -10.353 -5.225 401 HB3 PHE 56 2HB PHE 56 12.003 -11.192 -4.123 402 HD1 PHE 56 HD1 PHE 56 11.160 -9.658 -2.108 403 HD2 PHE 56 HD2 PHE 56 12.496 -8.247 -5.895 404 HE1 PHE 56 HE1 PHE 56 9.888 -7.578 -1.778 405 HE2 PHE 56 HE2 PHE 56 11.227 -6.165 -5.570 406 HZ PHE 56 HZ PHE 56 9.922 -5.827 -3.510 407 H ASN 57 H ASN 57 13.058 -12.823 -2.449 408 HA ASN 57 HA ASN 57 11.474 -12.173 -0.251 409 HB2 ASN 57 1HB ASN 57 12.652 -14.606 -1.382 410 HB3 ASN 57 2HB ASN 57 12.437 -14.682 0.364 411 HD21 ASN 57 2HD2 ASN 57 10.667 -13.588 -2.512 412 HD22 ASN 57 1HD2 ASN 57 9.141 -14.236 -2.027 413 H GLU 58 H GLU 58 14.708 -13.676 -0.089 414 HA GLU 58 HA GLU 58 15.145 -13.334 2.614 415 HB2 GLU 58 1HB GLU 58 17.604 -13.349 2.004 416 HB3 GLU 58 2HB GLU 58 16.654 -14.703 1.406 417 HG2 GLU 58 1HG GLU 58 16.427 -13.161 -0.718 418 HG3 GLU 58 2HG GLU 58 17.915 -12.464 -0.079 419 H PHE 59 H PHE 59 15.501 -11.023 0.009 420 HA PHE 59 HA PHE 59 17.051 -9.070 1.187 421 HB2 PHE 59 1HB PHE 59 16.017 -9.151 -1.174 422 HB3 PHE 59 2HB PHE 59 14.616 -8.377 -0.440 423 HD1 PHE 59 HD1 PHE 59 18.323 -7.940 -0.293 424 HD2 PHE 59 HD2 PHE 59 14.506 -6.122 -0.787 425 HE1 PHE 59 HE1 PHE 59 19.406 -5.745 -0.553 426 HE2 PHE 59 HE2 PHE 59 15.582 -3.925 -1.048 427 HZ PHE 59 HZ PHE 59 18.035 -3.735 -0.932 428 H ILE 60 H ILE 60 13.585 -9.655 1.565 429 HA ILE 60 HA ILE 60 13.272 -7.415 3.369 430 HB ILE 60 HB ILE 60 11.215 -9.564 2.981 431 HG12 ILE 60 1HG1 ILE 60 11.822 -7.280 1.092 432 HG13 ILE 60 2HG1 ILE 60 11.968 -8.997 0.735 433 HG21 ILE 60 1HG2 ILE 60 10.916 -7.738 4.659 434 HG22 ILE 60 2HG2 ILE 60 10.921 -6.587 3.325 435 HG23 ILE 60 3HG2 ILE 60 9.655 -7.811 3.428 436 HD11 ILE 60 3HD1 ILE 60 9.897 -8.959 -0.026 437 HD12 ILE 60 1HD1 ILE 60 9.334 -8.601 1.607 438 HD13 ILE 60 2HD1 ILE 60 9.698 -7.284 0.491 439 H SER 61 H SER 61 13.763 -10.857 3.563 440 HA SER 61 HA SER 61 12.868 -11.428 6.116 441 HB2 SER 61 1HB SER 61 13.628 -13.223 4.734 442 HB3 SER 61 2HB SER 61 15.235 -12.513 4.583 443 HG SER 61 HG SER 61 15.735 -13.635 6.274 444 H PHE 62 H PHE 62 16.052 -10.193 5.133 445 HA PHE 62 HA PHE 62 16.861 -9.869 7.898 446 HB2 PHE 62 1HB PHE 62 18.206 -10.179 5.429 447 HB3 PHE 62 2HB PHE 62 18.650 -8.592 6.049 448 HD1 PHE 62 HD1 PHE 62 18.174 -12.041 7.403 449 HD2 PHE 62 HD2 PHE 62 20.562 -8.520 7.299 450 HE1 PHE 62 HE1 PHE 62 19.789 -13.096 8.930 451 HE2 PHE 62 HE2 PHE 62 22.182 -9.569 8.824 452 HZ PHE 62 HZ PHE 62 21.798 -11.860 9.641 453 H CYS 63 H CYS 63 16.248 -7.777 5.091 454 HA CYS 63 HA CYS 63 16.778 -5.315 6.201 455 HB2 CYS 63 1HB CYS 63 16.264 -5.471 3.870 456 HB3 CYS 63 2HB CYS 63 14.664 -6.124 4.203 457 HG CYS 63 HG CYS 63 15.723 -2.926 4.239 458 H ASN 64 H ASN 64 13.901 -7.312 6.560 459 HA ASN 64 HA ASN 64 12.195 -5.469 7.757 460 HB2 ASN 64 1HB ASN 64 11.456 -7.689 7.030 461 HB3 ASN 64 2HB ASN 64 12.425 -8.439 8.295 462 HD21 ASN 64 2HD2 ASN 64 10.352 -5.576 8.386 463 HD22 ASN 64 1HD2 ASN 64 9.287 -6.172 9.609 464 H ALA 65 H ALA 65 14.863 -7.299 9.096 465 HA ALA 65 HA ALA 65 14.270 -6.744 11.832 466 HB1 ALA 65 1HB ALA 65 16.213 -8.251 10.374 467 HB2 ALA 65 2HB ALA 65 17.028 -7.243 11.570 468 HB3 ALA 65 3HB ALA 65 15.764 -8.364 12.076 469 H ASN 66 H ASN 66 15.581 -4.900 9.298 470 HA ASN 66 HA ASN 66 16.778 -3.000 11.205 471 HB2 ASN 66 1HB ASN 66 17.370 -3.567 8.305 472 HB3 ASN 66 2HB ASN 66 17.890 -2.073 9.080 473 HD21 ASN 66 2HD2 ASN 66 17.808 -5.494 10.028 474 HD22 ASN 66 1HD2 ASN 66 19.467 -5.575 10.503 475 HA PRO 67 HA PRO 67 12.890 -0.997 9.717 476 HB2 PRO 67 1HB PRO 67 12.279 0.104 12.123 477 HB3 PRO 67 2HB PRO 67 11.818 -1.543 11.675 478 HG2 PRO 67 1HG PRO 67 14.119 -0.609 13.348 479 HG3 PRO 67 2HG PRO 67 13.019 -1.973 13.620 480 HD2 PRO 67 1HD PRO 67 15.506 -2.288 12.596 481 HD3 PRO 67 2HD PRO 67 14.148 -3.339 12.146 482 H GLY 68 H GLY 68 15.730 0.105 11.413 483 HA2 GLY 68 1HA GLY 68 15.153 2.911 11.039 484 HA3 GLY 68 2HA GLY 68 16.643 2.224 11.670 485 H LEU 69 H LEU 69 16.543 0.427 9.146 486 HA LEU 69 HA LEU 69 18.090 2.276 7.511 487 HB2 LEU 69 1HB LEU 69 18.990 0.050 8.088 488 HB3 LEU 69 2HB LEU 69 17.661 -0.692 7.199 489 HG LEU 69 HG LEU 69 19.623 1.157 5.871 490 HD11 LEU 69 1HD1 LEU 69 20.029 -1.585 6.807 491 HD12 LEU 69 2HD1 LEU 69 21.202 -0.368 6.307 492 HD13 LEU 69 3HD1 LEU 69 20.373 -1.343 5.094 493 HD21 LEU 69 3HD2 LEU 69 18.770 -0.770 4.101 494 HD22 LEU 69 1HD2 LEU 69 18.144 0.874 4.225 495 HD23 LEU 69 2HD2 LEU 69 17.330 -0.445 5.067 496 H MET 70 H MET 70 15.395 -0.014 7.097 497 HA MET 70 HA MET 70 14.811 0.473 4.440 498 HB2 MET 70 1HB MET 70 12.466 -0.196 5.032 499 HB3 MET 70 2HB MET 70 13.707 -1.313 5.583 500 HG2 MET 70 1HG MET 70 13.557 -0.429 7.826 501 HG3 MET 70 2HG MET 70 12.390 0.780 7.296 502 HE1 MET 70 3HE MET 70 11.554 -3.623 6.658 503 HE2 MET 70 1HE MET 70 13.100 -2.784 6.530 504 HE3 MET 70 2HE MET 70 12.545 -3.375 8.096 505 H LYS 71 H LYS 71 14.309 2.498 7.190 506 HA LYS 71 HA LYS 71 12.350 4.196 5.933 507 HB2 LYS 71 1HB LYS 71 13.922 4.352 8.495 508 HB3 LYS 71 2HB LYS 71 12.930 5.696 7.944 509 HG2 LYS 71 1HG LYS 71 10.992 4.100 7.869 510 HG3 LYS 71 2HG LYS 71 12.029 2.925 8.682 511 HD2 LYS 71 1HD LYS 71 11.927 5.597 9.918 512 HD3 LYS 71 2HD LYS 71 10.420 4.680 9.968 513 HE2 LYS 71 1HE LYS 71 11.651 2.780 10.955 514 HE3 LYS 71 2HE LYS 71 13.116 3.761 10.965 515 HZ1 LYS 71 3HZ LYS 71 11.461 3.590 13.031 516 HZ2 LYS 71 1HZ LYS 71 10.787 4.932 12.250 517 HZ3 LYS 71 2HZ LYS 71 12.411 4.956 12.721 518 H ASP 72 H ASP 72 15.816 4.089 6.251 519 HA ASP 72 HA ASP 72 16.158 6.796 5.260 520 HB2 ASP 72 1HB ASP 72 17.767 4.917 6.693 521 HB3 ASP 72 2HB ASP 72 18.617 5.370 5.219 522 H VAL 73 H VAL 73 16.565 3.481 4.123 523 HA VAL 73 HA VAL 73 17.725 4.163 1.620 524 HB VAL 73 HB VAL 73 17.991 1.926 2.530 525 HG11 VAL 73 1HG1 VAL 73 15.240 1.079 1.887 526 HG12 VAL 73 2HG1 VAL 73 16.316 0.560 3.186 527 HG13 VAL 73 3HG1 VAL 73 15.427 2.077 3.329 528 HG21 VAL 73 3HG2 VAL 73 18.176 2.122 0.142 529 HG22 VAL 73 1HG2 VAL 73 17.343 0.614 0.520 530 HG23 VAL 73 2HG2 VAL 73 16.426 2.009 -0.047 531 H ALA 74 H ALA 74 14.420 3.652 2.727 532 HA ALA 74 HA ALA 74 13.270 3.794 0.105 533 HB1 ALA 74 1HB ALA 74 11.748 4.266 2.643 534 HB2 ALA 74 2HB ALA 74 11.201 3.525 1.139 535 HB3 ALA 74 3HB ALA 74 12.307 2.653 2.200 536 H LYS 75 H LYS 75 14.819 6.079 1.765 537 HA LYS 75 HA LYS 75 12.933 8.255 1.291 538 HB2 LYS 75 1HB LYS 75 14.115 9.469 2.802 539 HB3 LYS 75 2HB LYS 75 14.658 7.877 3.316 540 HG2 LYS 75 1HG LYS 75 16.590 8.212 1.671 541 HG3 LYS 75 2HG LYS 75 16.112 9.912 1.667 542 HD2 LYS 75 1HD LYS 75 16.481 8.546 4.287 543 HD3 LYS 75 2HD LYS 75 17.916 8.992 3.362 544 HE2 LYS 75 1HE LYS 75 17.658 10.928 4.514 545 HE3 LYS 75 2HE LYS 75 16.572 11.288 3.173 546 HZ1 LYS 75 3HZ LYS 75 15.858 11.489 5.718 547 HZ2 LYS 75 1HZ LYS 75 15.394 9.888 5.430 548 HZ3 LYS 75 2HZ LYS 75 14.762 11.136 4.480 549 H VAL 76 H VAL 76 15.865 6.888 -0.005 550 HA VAL 76 HA VAL 76 15.796 8.906 -2.151 551 HB VAL 76 HB VAL 76 17.747 9.274 -0.673 552 HG11 VAL 76 1HG1 VAL 76 19.152 6.879 -1.639 553 HG12 VAL 76 2HG1 VAL 76 19.205 7.671 -0.063 554 HG13 VAL 76 3HG1 VAL 76 17.877 6.579 -0.459 555 HG21 VAL 76 3HG2 VAL 76 19.365 8.536 -2.832 556 HG22 VAL 76 1HG2 VAL 76 17.774 8.863 -3.520 557 HG23 VAL 76 2HG2 VAL 76 18.590 10.097 -2.560 558 H PHE 77 H PHE 77 16.392 5.588 -1.198 559 HA PHE 77 HA PHE 77 16.710 4.788 -3.996 560 HB2 PHE 77 1HB PHE 77 17.421 3.588 -1.376 561 HB3 PHE 77 2HB PHE 77 16.975 2.470 -2.660 562 HD1 PHE 77 HD2 PHE 77 18.699 5.692 -3.157 563 HD2 PHE 77 HD1 PHE 77 19.080 1.456 -2.998 564 HE1 PHE 77 HE2 PHE 77 20.969 5.864 -4.089 565 HE2 PHE 77 HE1 PHE 77 21.351 1.621 -3.929 566 HZ PHE 77 HZ PHE 77 22.298 3.828 -4.478 Start of MODEL 14 1 H1 ALA 1 H ALA 1 -0.146 -2.160 -1.842 2 HA ALA 1 HA ALA 1 1.960 -0.540 -2.126 3 HB1 ALA 1 1HB ALA 1 -0.033 -0.193 -0.626 4 HB2 ALA 1 2HB ALA 1 0.847 -1.085 0.616 5 HB3 ALA 1 3HB ALA 1 1.500 0.427 -0.013 6 H ASP 2 H ASP 2 3.928 -1.528 -2.495 7 HA ASP 2 HA ASP 2 5.271 -2.548 -0.090 8 HB2 ASP 2 1HB ASP 2 5.079 -3.852 -2.779 9 HB3 ASP 2 2HB ASP 2 6.536 -4.074 -1.815 10 H ASP 3 H ASP 3 6.804 -1.116 0.354 11 HA ASP 3 HA ASP 3 7.926 0.635 -1.592 12 HB2 ASP 3 1HB ASP 3 9.052 0.078 1.152 13 HB3 ASP 3 2HB ASP 3 9.216 1.546 0.193 14 H MET 4 H MET 4 9.021 -2.320 -0.009 15 HA MET 4 HA MET 4 11.683 -2.313 -0.828 16 HB2 MET 4 1HB MET 4 9.855 -4.697 -0.481 17 HB3 MET 4 2HB MET 4 11.612 -4.751 -0.518 18 HG2 MET 4 1HG MET 4 10.050 -3.188 1.518 19 HG3 MET 4 2HG MET 4 10.564 -4.857 1.755 20 HE1 MET 4 3HE MET 4 13.226 -5.482 2.489 21 HE2 MET 4 1HE MET 4 13.091 -5.345 0.736 22 HE3 MET 4 2HE MET 4 14.430 -4.568 1.581 23 H GLU 5 H GLU 5 8.788 -2.892 -2.626 24 HA GLU 5 HA GLU 5 9.838 -4.401 -4.755 25 HB2 GLU 5 1HB GLU 5 7.458 -4.231 -4.479 26 HB3 GLU 5 2HB GLU 5 7.512 -2.480 -4.630 27 HG2 GLU 5 1HG GLU 5 8.230 -2.712 -6.960 28 HG3 GLU 5 2HG GLU 5 8.136 -4.465 -6.804 29 H ARG 6 H ARG 6 9.177 -0.897 -4.596 30 HA ARG 6 HA ARG 6 10.509 -0.324 -7.034 31 HB2 ARG 6 1HB ARG 6 10.396 2.059 -6.205 32 HB3 ARG 6 2HB ARG 6 8.855 1.217 -6.302 33 HG2 ARG 6 1HG ARG 6 8.772 0.920 -3.949 34 HG3 ARG 6 2HG ARG 6 10.442 1.460 -3.761 35 HD2 ARG 6 1HD ARG 6 8.154 3.159 -4.750 36 HD3 ARG 6 2HD ARG 6 8.814 3.190 -3.116 37 HE ARG 6 HE ARG 6 10.785 3.670 -5.145 38 HH11 ARG 6 1HH1 ARG 6 8.319 5.128 -3.165 39 HH12 ARG 6 2HH1 ARG 6 9.015 6.713 -3.237 40 HH21 ARG 6 1HH2 ARG 6 11.710 5.753 -5.247 41 HH22 ARG 6 2HH2 ARG 6 10.943 7.068 -4.423 42 H ILE 7 H ILE 7 11.504 -0.317 -3.659 43 HA ILE 7 HA ILE 7 13.997 0.962 -4.026 44 HB ILE 7 HB ILE 7 13.110 -0.970 -1.882 45 HG12 ILE 7 1HG1 ILE 7 13.451 2.004 -1.602 46 HG13 ILE 7 2HG1 ILE 7 11.953 1.327 -2.231 47 HG21 ILE 7 1HG2 ILE 7 15.683 0.342 -2.397 48 HG22 ILE 7 2HG2 ILE 7 15.071 0.529 -0.754 49 HG23 ILE 7 3HG2 ILE 7 15.307 -1.083 -1.429 50 HD11 ILE 7 3HD1 ILE 7 13.029 1.339 0.503 51 HD12 ILE 7 1HD1 ILE 7 11.360 1.374 -0.068 52 HD13 ILE 7 2HD1 ILE 7 12.241 -0.153 -0.009 53 H PHE 8 H PHE 8 12.990 -2.416 -4.146 54 HA PHE 8 HA PHE 8 15.529 -3.595 -4.249 55 HB2 PHE 8 1HB PHE 8 13.451 -4.868 -3.877 56 HB3 PHE 8 2HB PHE 8 12.965 -4.552 -5.539 57 HD1 PHE 8 HD1 PHE 8 14.099 -5.648 -7.397 58 HD2 PHE 8 HD2 PHE 8 15.124 -6.502 -3.355 59 HE1 PHE 8 HE1 PHE 8 15.284 -7.677 -8.130 60 HE2 PHE 8 HE2 PHE 8 16.311 -8.532 -4.081 61 HZ PHE 8 HZ PHE 8 16.392 -9.121 -6.471 62 H LYS 9 H LYS 9 13.686 -1.901 -6.642 63 HA LYS 9 HA LYS 9 14.907 -2.896 -8.973 64 HB2 LYS 9 1HB LYS 9 13.901 -0.076 -8.606 65 HB3 LYS 9 2HB LYS 9 13.980 -1.006 -10.097 66 HG2 LYS 9 1HG LYS 9 12.149 -1.491 -7.758 67 HG3 LYS 9 2HG LYS 9 11.703 -0.889 -9.357 68 HD2 LYS 9 1HD LYS 9 12.866 -3.611 -8.765 69 HD3 LYS 9 2HD LYS 9 11.165 -3.270 -9.091 70 HE2 LYS 9 1HE LYS 9 11.909 -2.307 -11.302 71 HE3 LYS 9 2HE LYS 9 13.504 -2.977 -10.964 72 HZ1 LYS 9 3HZ LYS 9 10.976 -4.404 -11.482 73 HZ2 LYS 9 1HZ LYS 9 12.234 -5.163 -10.642 74 HZ3 LYS 9 2HZ LYS 9 12.484 -4.610 -12.220 75 H ARG 10 H ARG 10 16.012 -0.708 -6.544 76 HA ARG 10 HA ARG 10 18.108 0.421 -8.194 77 HB2 ARG 10 1HB ARG 10 17.763 0.667 -5.205 78 HB3 ARG 10 2HB ARG 10 18.716 1.705 -6.257 79 HG2 ARG 10 1HG ARG 10 15.723 1.431 -6.407 80 HG3 ARG 10 2HG ARG 10 16.569 2.701 -5.521 81 HD2 ARG 10 1HD ARG 10 17.357 2.314 -8.342 82 HD3 ARG 10 2HD ARG 10 15.742 2.963 -8.063 83 HE ARG 10 HE ARG 10 17.443 4.438 -6.470 84 HH11 ARG 10 1HH1 ARG 10 17.070 3.781 -9.868 85 HH12 ARG 10 2HH1 ARG 10 17.712 5.310 -10.368 86 HH21 ARG 10 1HH2 ARG 10 18.291 6.455 -7.115 87 HH22 ARG 10 2HH2 ARG 10 18.407 6.830 -8.801 88 H PHE 11 H PHE 11 17.972 -1.610 -5.267 89 HA PHE 11 HA PHE 11 20.694 -2.159 -5.077 90 HB2 PHE 11 1HB PHE 11 18.270 -3.736 -4.226 91 HB3 PHE 11 2HB PHE 11 19.909 -4.274 -3.877 92 HD1 PHE 11 HD1 PHE 11 17.560 -1.449 -3.375 93 HD2 PHE 11 HD2 PHE 11 21.055 -3.463 -2.019 94 HE1 PHE 11 HE1 PHE 11 17.587 -0.037 -1.361 95 HE2 PHE 11 HE2 PHE 11 21.088 -2.055 -0.002 96 HZ PHE 11 HZ PHE 11 19.352 -0.339 0.330 97 H ASP 12 H ASP 12 18.238 -3.550 -7.128 98 HA ASP 12 HA ASP 12 20.027 -5.660 -8.042 99 HB2 ASP 12 1HB ASP 12 17.726 -6.308 -7.711 100 HB3 ASP 12 2HB ASP 12 17.161 -4.994 -8.738 101 H THR 13 H THR 13 21.429 -3.710 -8.755 102 HA THR 13 HA THR 13 20.786 -2.133 -10.957 103 HB THR 13 HB THR 13 23.455 -3.197 -10.032 104 HG1 THR 13 HG1 THR 13 23.014 -1.657 -8.630 105 HG21 THR 13 3HG2 THR 13 22.881 -1.153 -12.181 106 HG22 THR 13 1HG2 THR 13 23.630 -2.733 -12.411 107 HG23 THR 13 2HG2 THR 13 24.470 -1.483 -11.492 108 H ASN 14 H ASN 14 21.520 -5.495 -10.777 109 HA ASN 14 HA ASN 14 22.261 -5.772 -13.548 110 HB2 ASN 14 1HB ASN 14 23.237 -7.362 -12.079 111 HB3 ASN 14 2HB ASN 14 21.683 -7.748 -11.344 112 HD21 ASN 14 2HD2 ASN 14 22.250 -7.370 -14.778 113 HD22 ASN 14 1HD2 ASN 14 21.963 -9.021 -15.200 114 H GLY 15 H GLY 15 19.361 -5.385 -11.896 115 HA2 GLY 15 1HA GLY 15 17.153 -5.711 -12.451 116 HA3 GLY 15 2HA GLY 15 17.711 -5.432 -14.094 117 H ASP 16 H ASP 16 18.449 -8.133 -11.921 118 HA ASP 16 HA ASP 16 17.194 -9.929 -13.892 119 HB2 ASP 16 1HB ASP 16 19.148 -11.004 -14.021 120 HB3 ASP 16 2HB ASP 16 19.850 -9.904 -12.838 121 H GLY 17 H GLY 17 17.146 -8.804 -10.700 122 HA2 GLY 17 1HA GLY 17 15.241 -9.338 -9.321 123 HA3 GLY 17 2HA GLY 17 15.285 -10.970 -9.971 124 H LYS 18 H LYS 18 18.353 -9.717 -9.241 125 HA LYS 18 HA LYS 18 18.351 -10.697 -6.499 126 HB2 LYS 18 1HB LYS 18 20.357 -11.805 -8.455 127 HB3 LYS 18 2HB LYS 18 20.039 -12.334 -6.808 128 HG2 LYS 18 1HG LYS 18 17.814 -13.123 -7.525 129 HG3 LYS 18 2HG LYS 18 18.217 -12.668 -9.182 130 HD2 LYS 18 1HD LYS 18 20.278 -14.313 -7.974 131 HD3 LYS 18 2HD LYS 18 18.706 -15.115 -7.968 132 HE2 LYS 18 1HE LYS 18 19.471 -13.751 -10.473 133 HE3 LYS 18 2HE LYS 18 20.408 -15.182 -10.050 134 HZ1 LYS 18 3HZ LYS 18 18.312 -15.487 -11.450 135 HZ2 LYS 18 1HZ LYS 18 17.457 -15.232 -10.012 136 HZ3 LYS 18 2HZ LYS 18 18.536 -16.528 -10.135 137 H ILE 19 H ILE 19 20.309 -10.155 -5.335 138 HA ILE 19 HA ILE 19 21.735 -7.882 -6.557 139 HB ILE 19 HB ILE 19 21.511 -8.221 -3.591 140 HG12 ILE 19 1HG1 ILE 19 19.210 -8.353 -4.373 141 HG13 ILE 19 2HG1 ILE 19 19.493 -6.786 -3.624 142 HG21 ILE 19 1HG2 ILE 19 22.409 -6.192 -5.483 143 HG22 ILE 19 2HG2 ILE 19 21.351 -5.559 -4.223 144 HG23 ILE 19 3HG2 ILE 19 22.825 -6.423 -3.785 145 HD11 ILE 19 3HD1 ILE 19 20.038 -6.180 -6.180 146 HD12 ILE 19 1HD1 ILE 19 18.855 -7.468 -6.411 147 HD13 ILE 19 2HD1 ILE 19 18.434 -6.044 -5.459 148 H SER 20 H SER 20 23.790 -8.291 -6.987 149 HA SER 20 HA SER 20 25.183 -10.371 -5.451 150 HB2 SER 20 1HB SER 20 26.650 -9.372 -7.744 151 HB3 SER 20 2HB SER 20 26.117 -11.015 -7.388 152 HG SER 20 HG SER 20 25.068 -9.207 -9.102 153 H LEU 21 H LEU 21 27.790 -9.719 -5.903 154 HA LEU 21 HA LEU 21 28.230 -7.686 -3.957 155 HB2 LEU 21 1HB LEU 21 30.378 -8.750 -5.746 156 HB3 LEU 21 2HB LEU 21 30.480 -8.259 -4.056 157 HG LEU 21 HG LEU 21 29.292 -10.800 -5.158 158 HD11 LEU 21 1HD1 LEU 21 31.190 -11.806 -4.554 159 HD12 LEU 21 2HD1 LEU 21 31.282 -10.921 -3.032 160 HD13 LEU 21 3HD1 LEU 21 31.885 -10.185 -4.517 161 HD21 LEU 21 3HD2 LEU 21 27.965 -10.882 -3.381 162 HD22 LEU 21 1HD2 LEU 21 28.625 -9.368 -2.763 163 HD23 LEU 21 2HD2 LEU 21 29.401 -10.899 -2.358 164 H SER 22 H SER 22 27.975 -7.703 -7.380 165 HA SER 22 HA SER 22 29.431 -5.226 -7.749 166 HB2 SER 22 1HB SER 22 28.844 -7.343 -9.412 167 HB3 SER 22 2HB SER 22 27.718 -6.102 -9.961 168 HG SER 22 HG SER 22 29.592 -4.684 -10.058 169 H GLU 23 H GLU 23 26.107 -6.313 -7.499 170 HA GLU 23 HA GLU 23 25.041 -3.708 -8.186 171 HB2 GLU 23 1HB GLU 23 23.553 -6.089 -7.075 172 HB3 GLU 23 2HB GLU 23 22.870 -4.704 -7.916 173 HG2 GLU 23 1HG GLU 23 23.760 -5.389 -9.983 174 HG3 GLU 23 2HG GLU 23 24.822 -6.572 -9.221 175 H LEU 24 H LEU 24 24.994 -5.819 -5.314 176 HA LEU 24 HA LEU 24 23.734 -4.152 -3.532 177 HB2 LEU 24 1HB LEU 24 24.678 -6.551 -3.259 178 HB3 LEU 24 2HB LEU 24 26.130 -5.734 -2.684 179 HG LEU 24 HG LEU 24 23.504 -5.087 -1.420 180 HD11 LEU 24 1HD1 LEU 24 25.016 -7.246 -0.140 181 HD12 LEU 24 2HD1 LEU 24 24.213 -7.700 -1.643 182 HD13 LEU 24 3HD1 LEU 24 23.275 -7.022 -0.313 183 HD21 LEU 24 3HD2 LEU 24 25.935 -4.083 -1.024 184 HD22 LEU 24 1HD2 LEU 24 26.047 -5.476 0.053 185 HD23 LEU 24 2HD2 LEU 24 24.770 -4.282 0.287 186 H THR 25 H THR 25 27.230 -4.302 -4.186 187 HA THR 25 HA THR 25 28.117 -2.376 -2.428 188 HB THR 25 HB THR 25 29.645 -3.735 -3.776 189 HG1 THR 25 HG1 THR 25 30.004 -0.945 -4.249 190 HG21 THR 25 3HG2 THR 25 28.192 -3.365 -5.896 191 HG22 THR 25 1HG2 THR 25 29.940 -3.513 -6.071 192 HG23 THR 25 2HG2 THR 25 29.181 -1.922 -6.116 193 H ASP 26 H ASP 26 26.717 -1.935 -5.643 194 HA ASP 26 HA ASP 26 27.193 0.774 -6.001 195 HB2 ASP 26 1HB ASP 26 24.693 -0.716 -6.825 196 HB3 ASP 26 2HB ASP 26 25.317 0.766 -7.543 197 H ALA 27 H ALA 27 24.981 -0.823 -3.869 198 HA ALA 27 HA ALA 27 23.418 1.563 -3.358 199 HB1 ALA 27 1HB ALA 27 22.994 -1.187 -3.043 200 HB2 ALA 27 2HB ALA 27 23.009 -0.510 -1.414 201 HB3 ALA 27 3HB ALA 27 21.894 0.126 -2.623 202 H LEU 28 H LEU 28 25.393 -0.597 -1.311 203 HA LEU 28 HA LEU 28 25.510 1.089 0.908 204 HB2 LEU 28 1HB LEU 28 27.707 -0.791 0.085 205 HB3 LEU 28 2HB LEU 28 27.262 -0.288 1.715 206 HG LEU 28 HG LEU 28 25.786 -2.185 -0.100 207 HD11 LEU 28 1HD1 LEU 28 26.097 -3.307 2.392 208 HD12 LEU 28 2HD1 LEU 28 27.611 -2.438 2.150 209 HD13 LEU 28 3HD1 LEU 28 27.088 -3.641 0.972 210 HD21 LEU 28 3HD2 LEU 28 24.053 -0.936 0.876 211 HD22 LEU 28 1HD2 LEU 28 24.894 -0.817 2.422 212 HD23 LEU 28 2HD2 LEU 28 24.219 -2.362 1.902 213 H ARG 29 H ARG 29 27.117 1.288 -2.114 214 HA ARG 29 HA ARG 29 29.235 3.012 -1.119 215 HB2 ARG 29 1HB ARG 29 30.170 2.906 -3.276 216 HB3 ARG 29 2HB ARG 29 29.506 1.301 -2.998 217 HG2 ARG 29 1HG ARG 29 28.713 1.635 -5.087 218 HG3 ARG 29 2HG ARG 29 27.398 2.398 -4.191 219 HD2 ARG 29 1HD ARG 29 27.781 4.207 -5.437 220 HD3 ARG 29 2HD ARG 29 29.243 4.427 -4.476 221 HE ARG 29 HE ARG 29 30.069 2.752 -6.410 222 HH11 ARG 29 1HH1 ARG 29 28.310 5.755 -6.498 223 HH12 ARG 29 2HH1 ARG 29 28.931 6.224 -8.046 224 HH21 ARG 29 1HH2 ARG 29 30.894 3.358 -8.448 225 HH22 ARG 29 2HH2 ARG 29 30.400 4.859 -9.155 226 H THR 30 H THR 30 26.087 3.271 -2.480 227 HA THR 30 HA THR 30 26.446 6.034 -3.311 228 HB THR 30 HB THR 30 24.023 4.228 -3.348 229 HG1 THR 30 HG1 THR 30 25.261 5.360 -5.609 230 HG21 THR 30 3HG2 THR 30 23.322 6.545 -3.013 231 HG22 THR 30 1HG2 THR 30 22.920 6.000 -4.641 232 HG23 THR 30 2HG2 THR 30 24.312 7.053 -4.380 233 H LEU 31 H LEU 31 25.116 4.213 -0.650 234 HA LEU 31 HA LEU 31 24.138 6.704 0.572 235 HB2 LEU 31 1HB LEU 31 23.511 4.040 1.730 236 HB3 LEU 31 2HB LEU 31 22.547 5.515 1.710 237 HG LEU 31 HG LEU 31 22.879 3.482 -0.484 238 HD11 LEU 31 1HD1 LEU 31 20.594 3.092 -0.231 239 HD12 LEU 31 2HD1 LEU 31 20.340 4.590 0.663 240 HD13 LEU 31 3HD1 LEU 31 21.184 3.241 1.424 241 HD21 LEU 31 3HD2 LEU 31 21.076 5.676 -1.068 242 HD22 LEU 31 1HD2 LEU 31 22.345 4.959 -2.062 243 HD23 LEU 31 2HD2 LEU 31 22.746 6.217 -0.893 244 H GLY 32 H GLY 32 26.501 4.223 0.792 245 HA2 GLY 32 1HA GLY 32 27.358 5.303 3.407 246 HA3 GLY 32 2HA GLY 32 27.503 3.601 2.997 247 H SER 33 H SER 33 28.256 4.400 0.185 248 HA SER 33 HA SER 33 30.129 4.851 -1.035 249 HB2 SER 33 1HB SER 33 30.074 6.947 0.587 250 HB3 SER 33 2HB SER 33 31.505 6.172 1.265 251 HG SER 33 HG SER 33 31.635 7.739 -0.659 252 H THR 34 H THR 34 29.824 2.475 0.608 253 HA THR 34 HA THR 34 32.511 1.855 1.535 254 HB THR 34 HB THR 34 30.302 1.095 2.665 255 HG1 THR 34 HG1 THR 34 32.674 0.256 2.826 256 HG21 THR 34 3HG2 THR 34 29.578 0.082 0.367 257 HG22 THR 34 1HG2 THR 34 29.200 -0.774 1.862 258 HG23 THR 34 2HG2 THR 34 30.569 -1.285 0.874 259 H SER 35 H SER 35 32.858 -0.749 0.944 260 HA SER 35 HA SER 35 32.855 -0.851 -2.001 261 HB2 SER 35 1HB SER 35 35.060 -1.990 -0.284 262 HB3 SER 35 2HB SER 35 35.068 -1.716 -2.026 263 HG SER 35 HG SER 35 34.991 0.536 -1.577 264 H ALA 36 H ALA 36 33.838 -3.328 -2.434 265 HA ALA 36 HA ALA 36 31.611 -4.991 -1.826 266 HB1 ALA 36 1HB ALA 36 34.111 -6.230 -2.814 267 HB2 ALA 36 2HB ALA 36 32.449 -6.419 -3.375 268 HB3 ALA 36 3HB ALA 36 33.375 -4.988 -3.828 269 H ASP 37 H ASP 37 34.707 -4.468 -0.360 270 HA ASP 37 HA ASP 37 35.137 -6.845 0.993 271 HB2 ASP 37 1HB ASP 37 35.805 -3.987 1.592 272 HB3 ASP 37 2HB ASP 37 36.134 -5.224 2.801 273 H GLU 38 H GLU 38 32.737 -4.414 1.531 274 HA GLU 38 HA GLU 38 31.965 -5.684 4.068 275 HB2 GLU 38 1HB GLU 38 30.835 -3.091 3.059 276 HB3 GLU 38 2HB GLU 38 30.925 -3.685 4.711 277 HG2 GLU 38 1HG GLU 38 33.269 -2.803 3.042 278 HG3 GLU 38 2HG GLU 38 32.483 -1.848 4.298 279 H VAL 39 H VAL 39 31.129 -5.425 0.800 280 HA VAL 39 HA VAL 39 28.298 -5.707 1.033 281 HB VAL 39 HB VAL 39 30.198 -6.197 -1.256 282 HG11 VAL 39 1HG1 VAL 39 27.226 -6.592 -1.103 283 HG12 VAL 39 2HG1 VAL 39 28.042 -6.241 -2.627 284 HG13 VAL 39 3HG1 VAL 39 28.455 -7.696 -1.719 285 HG21 VAL 39 3HG2 VAL 39 29.849 -4.062 -1.819 286 HG22 VAL 39 1HG2 VAL 39 28.112 -4.184 -1.535 287 HG23 VAL 39 2HG2 VAL 39 29.205 -3.863 -0.189 288 H GLN 40 H GLN 40 30.788 -8.019 -0.068 289 HA GLN 40 HA GLN 40 29.204 -10.280 -0.150 290 HB2 GLN 40 1HB GLN 40 31.400 -11.517 0.338 291 HB3 GLN 40 2HB GLN 40 31.342 -10.487 -1.085 292 HG2 GLN 40 1HG GLN 40 32.747 -8.919 -0.182 293 HG3 GLN 40 2HG GLN 40 32.334 -9.348 1.478 294 HE21 GLN 40 2HE2 GLN 40 32.787 -11.969 1.629 295 HE22 GLN 40 1HE2 GLN 40 34.443 -12.338 1.304 296 H ARG 41 H ARG 41 30.467 -8.599 2.594 297 HA ARG 41 HA ARG 41 30.032 -10.798 4.425 298 HB2 ARG 41 1HB ARG 41 30.490 -7.962 5.283 299 HB3 ARG 41 2HB ARG 41 30.984 -9.452 6.074 300 HG2 ARG 41 1HG ARG 41 32.162 -8.283 3.563 301 HG3 ARG 41 2HG ARG 41 32.906 -8.318 5.163 302 HD2 ARG 41 1HD ARG 41 32.135 -10.966 4.484 303 HD3 ARG 41 2HD ARG 41 33.006 -10.281 3.112 304 HE ARG 41 HE ARG 41 34.505 -9.662 5.337 305 HH11 ARG 41 1HH1 ARG 41 33.350 -12.560 3.791 306 HH12 ARG 41 2HH1 ARG 41 34.690 -13.528 4.311 307 HH21 ARG 41 1HH2 ARG 41 36.274 -10.926 6.028 308 HH22 ARG 41 2HH2 ARG 41 36.352 -12.597 5.584 309 H MET 42 H MET 42 28.354 -7.945 3.325 310 HA MET 42 HA MET 42 26.393 -7.974 5.425 311 HB2 MET 42 1HB MET 42 26.865 -5.866 4.396 312 HB3 MET 42 2HB MET 42 26.556 -6.512 2.790 313 HG2 MET 42 1HG MET 42 24.351 -6.202 2.954 314 HG3 MET 42 2HG MET 42 24.297 -6.759 4.625 315 HE1 MET 42 3HE MET 42 26.453 -4.438 6.031 316 HE2 MET 42 1HE MET 42 25.010 -3.705 6.732 317 HE3 MET 42 2HE MET 42 25.118 -5.457 6.569 318 H MET 43 H MET 43 26.511 -9.013 2.039 319 HA MET 43 HA MET 43 23.800 -9.940 2.025 320 HB2 MET 43 1HB MET 43 24.462 -10.977 -0.162 321 HB3 MET 43 2HB MET 43 24.735 -9.243 -0.062 322 HG2 MET 43 1HG MET 43 26.839 -9.553 -0.645 323 HG3 MET 43 2HG MET 43 27.097 -10.499 0.819 324 HE1 MET 43 3HE MET 43 24.624 -11.548 -2.087 325 HE2 MET 43 1HE MET 43 25.883 -10.608 -2.888 326 HE3 MET 43 2HE MET 43 25.748 -12.340 -3.192 327 H ALA 44 H ALA 44 26.875 -11.276 2.878 328 HA ALA 44 HA ALA 44 26.403 -14.004 2.557 329 HB1 ALA 44 1HB ALA 44 28.195 -12.373 4.268 330 HB2 ALA 44 2HB ALA 44 27.987 -14.075 4.683 331 HB3 ALA 44 3HB ALA 44 28.583 -13.623 3.086 332 H GLU 45 H GLU 45 25.305 -11.776 5.015 333 HA GLU 45 HA GLU 45 24.236 -13.946 6.647 334 HB2 GLU 45 1HB GLU 45 23.531 -12.063 8.164 335 HB3 GLU 45 2HB GLU 45 25.265 -12.213 7.915 336 HG2 GLU 45 1HG GLU 45 25.193 -10.395 6.288 337 HG3 GLU 45 2HG GLU 45 23.454 -10.245 6.535 338 H ILE 46 H ILE 46 23.187 -11.411 4.479 339 HA ILE 46 HA ILE 46 20.414 -11.570 5.094 340 HB ILE 46 HB ILE 46 21.814 -10.541 2.624 341 HG12 ILE 46 1HG1 ILE 46 20.541 -9.015 4.902 342 HG13 ILE 46 2HG1 ILE 46 22.261 -9.377 4.812 343 HG21 ILE 46 1HG2 ILE 46 19.676 -9.393 2.145 344 HG22 ILE 46 2HG2 ILE 46 19.553 -11.149 2.053 345 HG23 ILE 46 3HG2 ILE 46 18.929 -10.295 3.464 346 HD11 ILE 46 3HD1 ILE 46 20.756 -7.821 2.726 347 HD12 ILE 46 1HD1 ILE 46 21.648 -7.094 4.062 348 HD13 ILE 46 2HD1 ILE 46 22.501 -8.045 2.846 349 H ASP 47 H ASP 47 22.505 -13.160 2.745 350 HA ASP 47 HA ASP 47 20.578 -14.348 1.128 351 HB2 ASP 47 1HB ASP 47 23.352 -14.453 1.357 352 HB3 ASP 47 2HB ASP 47 22.835 -16.115 1.621 353 H THR 48 H THR 48 18.893 -15.486 1.825 354 HA THR 48 HA THR 48 18.871 -16.948 4.266 355 HB THR 48 HB THR 48 16.920 -17.031 1.957 356 HG1 THR 48 HG1 THR 48 15.719 -15.687 3.555 357 HG21 THR 48 3HG2 THR 48 15.578 -17.642 4.303 358 HG22 THR 48 1HG2 THR 48 17.084 -18.550 4.429 359 HG23 THR 48 2HG2 THR 48 16.031 -18.779 3.033 360 H ASP 49 H ASP 49 19.558 -17.758 0.950 361 HA ASP 49 HA ASP 49 19.843 -20.588 1.719 362 HB2 ASP 49 1HB ASP 49 19.892 -20.614 -1.015 363 HB3 ASP 49 2HB ASP 49 18.457 -20.902 -0.034 364 H GLY 50 H GLY 50 21.497 -17.775 0.831 365 HA2 GLY 50 1HA GLY 50 23.690 -17.336 0.315 366 HA3 GLY 50 2HA GLY 50 24.041 -18.846 1.142 367 H ASP 51 H ASP 51 23.118 -17.468 -1.980 368 HA ASP 51 HA ASP 51 24.471 -19.742 -3.275 369 HB2 ASP 51 1HB ASP 51 22.847 -19.884 -4.938 370 HB3 ASP 51 2HB ASP 51 21.885 -19.556 -3.499 371 H GLY 52 H GLY 52 25.047 -16.760 -2.493 372 HA2 GLY 52 1HA GLY 52 26.765 -15.418 -3.365 373 HA3 GLY 52 2HA GLY 52 26.589 -16.235 -4.911 374 H PHE 53 H PHE 53 23.571 -15.395 -3.788 375 HA PHE 53 HA PHE 53 23.600 -12.680 -4.825 376 HB2 PHE 53 1HB PHE 53 22.016 -14.908 -6.114 377 HB3 PHE 53 2HB PHE 53 21.709 -13.198 -6.399 378 HD1 PHE 53 HD2 PHE 53 24.061 -15.961 -6.931 379 HD2 PHE 53 HD1 PHE 53 23.166 -11.886 -7.772 380 HE1 PHE 53 HE2 PHE 53 25.757 -15.960 -8.713 381 HE2 PHE 53 HE1 PHE 53 24.860 -11.878 -9.556 382 HZ PHE 53 HZ PHE 53 26.159 -13.917 -10.028 383 H ILE 54 H ILE 54 21.942 -11.418 -4.059 384 HA ILE 54 HA ILE 54 20.308 -12.641 -1.958 385 HB ILE 54 HB ILE 54 21.009 -9.763 -2.523 386 HG12 ILE 54 1HG1 ILE 54 22.767 -11.109 -1.452 387 HG13 ILE 54 2HG1 ILE 54 22.134 -9.892 -0.349 388 HG21 ILE 54 1HG2 ILE 54 19.789 -9.844 -0.048 389 HG22 ILE 54 2HG2 ILE 54 19.086 -9.218 -1.538 390 HG23 ILE 54 3HG2 ILE 54 18.774 -10.883 -1.048 391 HD11 ILE 54 3HD1 ILE 54 22.284 -11.756 0.990 392 HD12 ILE 54 1HD1 ILE 54 20.598 -11.805 0.475 393 HD13 ILE 54 2HD1 ILE 54 21.787 -12.853 -0.299 394 H ASP 55 H ASP 55 18.441 -13.392 -2.760 395 HA ASP 55 HA ASP 55 17.086 -12.301 -4.991 396 HB2 ASP 55 1HB ASP 55 15.904 -14.039 -2.818 397 HB3 ASP 55 2HB ASP 55 15.311 -13.848 -4.465 398 H PHE 56 H PHE 56 14.465 -12.055 -4.373 399 HA PHE 56 HA PHE 56 14.409 -9.465 -3.091 400 HB2 PHE 56 1HB PHE 56 13.149 -10.064 -5.217 401 HB3 PHE 56 2HB PHE 56 12.053 -10.991 -4.198 402 HD1 PHE 56 HD1 PHE 56 11.054 -9.662 -2.160 403 HD2 PHE 56 HD2 PHE 56 12.635 -7.875 -5.685 404 HE1 PHE 56 HE1 PHE 56 9.748 -7.627 -1.710 405 HE2 PHE 56 HE2 PHE 56 11.332 -5.836 -5.239 406 HZ PHE 56 HZ PHE 56 9.887 -5.710 -3.249 407 H ASN 57 H ASN 57 13.272 -12.723 -2.450 408 HA ASN 57 HA ASN 57 11.573 -12.137 -0.284 409 HB2 ASN 57 1HB ASN 57 12.794 -14.524 -1.465 410 HB3 ASN 57 2HB ASN 57 12.562 -14.649 0.277 411 HD21 ASN 57 2HD2 ASN 57 10.747 -13.299 -2.463 412 HD22 ASN 57 1HD2 ASN 57 9.248 -14.058 -2.059 413 H GLU 58 H GLU 58 14.824 -13.603 -0.121 414 HA GLU 58 HA GLU 58 15.214 -13.306 2.600 415 HB2 GLU 58 1HB GLU 58 17.682 -13.323 2.026 416 HB3 GLU 58 2HB GLU 58 16.737 -14.666 1.400 417 HG2 GLU 58 1HG GLU 58 16.550 -13.051 -0.698 418 HG3 GLU 58 2HG GLU 58 18.066 -12.445 -0.034 419 H PHE 59 H PHE 59 15.547 -10.957 0.041 420 HA PHE 59 HA PHE 59 17.109 -9.022 1.255 421 HB2 PHE 59 1HB PHE 59 16.092 -9.076 -1.118 422 HB3 PHE 59 2HB PHE 59 14.690 -8.304 -0.385 423 HD1 PHE 59 HD1 PHE 59 18.400 -7.891 -0.229 424 HD2 PHE 59 HD2 PHE 59 14.594 -6.042 -0.686 425 HE1 PHE 59 HE1 PHE 59 19.496 -5.699 -0.456 426 HE2 PHE 59 HE2 PHE 59 15.683 -3.848 -0.915 427 HZ PHE 59 HZ PHE 59 18.137 -3.674 -0.801 428 H ILE 60 H ILE 60 13.639 -9.614 1.589 429 HA ILE 60 HA ILE 60 13.296 -7.393 3.406 430 HB ILE 60 HB ILE 60 11.268 -9.566 2.998 431 HG12 ILE 60 1HG1 ILE 60 11.846 -7.257 1.131 432 HG13 ILE 60 2HG1 ILE 60 12.027 -8.968 0.760 433 HG21 ILE 60 1HG2 ILE 60 10.970 -7.724 4.686 434 HG22 ILE 60 2HG2 ILE 60 10.898 -6.599 3.331 435 HG23 ILE 60 3HG2 ILE 60 9.684 -7.869 3.489 436 HD11 ILE 60 3HD1 ILE 60 9.952 -8.992 0.013 437 HD12 ILE 60 1HD1 ILE 60 9.377 -8.596 1.632 438 HD13 ILE 60 2HD1 ILE 60 9.738 -7.306 0.484 439 H SER 61 H SER 61 13.784 -10.843 3.592 440 HA SER 61 HA SER 61 12.901 -11.406 6.151 441 HB2 SER 61 1HB SER 61 13.637 -13.207 4.764 442 HB3 SER 61 2HB SER 61 15.249 -12.510 4.603 443 HG SER 61 HG SER 61 14.113 -13.914 6.729 444 H PHE 62 H PHE 62 16.067 -10.159 5.140 445 HA PHE 62 HA PHE 62 16.912 -9.858 7.899 446 HB2 PHE 62 1HB PHE 62 18.231 -10.161 5.417 447 HB3 PHE 62 2HB PHE 62 18.681 -8.575 6.034 448 HD1 PHE 62 HD1 PHE 62 18.218 -12.023 7.395 449 HD2 PHE 62 HD2 PHE 62 20.610 -8.505 7.257 450 HE1 PHE 62 HE1 PHE 62 19.851 -13.078 8.902 451 HE2 PHE 62 HE2 PHE 62 22.248 -9.555 8.763 452 HZ PHE 62 HZ PHE 62 21.870 -11.845 9.587 453 H CYS 63 H CYS 63 16.305 -7.744 5.105 454 HA CYS 63 HA CYS 63 16.837 -5.293 6.232 455 HB2 CYS 63 1HB CYS 63 16.317 -5.429 3.901 456 HB3 CYS 63 2HB CYS 63 14.718 -6.084 4.232 457 HG CYS 63 HG CYS 63 15.782 -2.883 4.329 458 H ASN 64 H ASN 64 13.950 -7.279 6.577 459 HA ASN 64 HA ASN 64 12.248 -5.447 7.788 460 HB2 ASN 64 1HB ASN 64 11.513 -7.669 7.063 461 HB3 ASN 64 2HB ASN 64 12.489 -8.416 8.325 462 HD21 ASN 64 2HD2 ASN 64 10.398 -5.565 8.412 463 HD22 ASN 64 1HD2 ASN 64 9.343 -6.161 9.643 464 H ALA 65 H ALA 65 14.905 -7.300 9.131 465 HA ALA 65 HA ALA 65 14.332 -6.771 11.864 466 HB1 ALA 65 1HB ALA 65 16.308 -8.197 10.376 467 HB2 ALA 65 2HB ALA 65 17.108 -7.169 11.566 468 HB3 ALA 65 3HB ALA 65 15.890 -8.334 12.085 469 H ASN 66 H ASN 66 15.648 -4.875 9.345 470 HA ASN 66 HA ASN 66 16.728 -2.943 11.288 471 HB2 ASN 66 1HB ASN 66 17.411 -3.469 8.399 472 HB3 ASN 66 2HB ASN 66 17.882 -1.979 9.211 473 HD21 ASN 66 2HD2 ASN 66 17.855 -5.431 10.048 474 HD22 ASN 66 1HD2 ASN 66 19.496 -5.485 10.588 475 HA PRO 67 HA PRO 67 12.829 -1.042 9.712 476 HB2 PRO 67 1HB PRO 67 12.153 0.066 12.096 477 HB3 PRO 67 2HB PRO 67 11.740 -1.595 11.658 478 HG2 PRO 67 1HG PRO 67 13.989 -0.587 13.357 479 HG3 PRO 67 2HG PRO 67 12.919 -1.976 13.626 480 HD2 PRO 67 1HD PRO 67 15.429 -2.239 12.645 481 HD3 PRO 67 2HD PRO 67 14.105 -3.328 12.185 482 H GLY 68 H GLY 68 15.603 0.153 11.460 483 HA2 GLY 68 1HA GLY 68 14.968 2.937 11.051 484 HA3 GLY 68 2HA GLY 68 16.469 2.291 11.698 485 H LEU 69 H LEU 69 16.487 0.475 9.210 486 HA LEU 69 HA LEU 69 17.967 2.366 7.562 487 HB2 LEU 69 1HB LEU 69 18.963 0.196 8.178 488 HB3 LEU 69 2HB LEU 69 17.672 -0.624 7.302 489 HG LEU 69 HG LEU 69 19.554 1.282 5.939 490 HD11 LEU 69 1HD1 LEU 69 20.084 -1.410 6.945 491 HD12 LEU 69 2HD1 LEU 69 21.200 -0.160 6.397 492 HD13 LEU 69 3HD1 LEU 69 20.407 -1.209 5.222 493 HD21 LEU 69 3HD2 LEU 69 18.795 -0.713 4.206 494 HD22 LEU 69 1HD2 LEU 69 18.090 0.901 4.299 495 HD23 LEU 69 2HD2 LEU 69 17.339 -0.441 5.164 496 H MET 70 H MET 70 15.362 -0.027 7.169 497 HA MET 70 HA MET 70 14.792 0.369 4.495 498 HB2 MET 70 1HB MET 70 12.467 -0.358 5.073 499 HB3 MET 70 2HB MET 70 13.731 -1.415 5.690 500 HG2 MET 70 1HG MET 70 13.474 -0.580 7.893 501 HG3 MET 70 2HG MET 70 12.434 0.731 7.342 502 HE1 MET 70 3HE MET 70 12.622 -2.832 6.188 503 HE2 MET 70 1HE MET 70 12.400 -3.391 7.846 504 HE3 MET 70 2HE MET 70 11.099 -3.582 6.670 505 H LYS 71 H LYS 71 14.194 2.453 7.182 506 HA LYS 71 HA LYS 71 12.210 4.061 5.843 507 HB2 LYS 71 1HB LYS 71 13.720 4.332 8.433 508 HB3 LYS 71 2HB LYS 71 12.688 5.622 7.829 509 HG2 LYS 71 1HG LYS 71 10.816 3.948 7.757 510 HG3 LYS 71 2HG LYS 71 11.881 2.836 8.620 511 HD2 LYS 71 1HD LYS 71 11.029 5.568 9.582 512 HD3 LYS 71 2HD LYS 71 10.382 4.027 10.151 513 HE2 LYS 71 1HE LYS 71 11.966 4.108 11.721 514 HE3 LYS 71 2HE LYS 71 13.105 3.715 10.434 515 HZ1 LYS 71 3HZ LYS 71 13.146 5.954 11.994 516 HZ2 LYS 71 1HZ LYS 71 12.503 6.506 10.530 517 HZ3 LYS 71 2HZ LYS 71 14.005 5.728 10.555 518 H ASP 72 H ASP 72 15.671 4.076 6.264 519 HA ASP 72 HA ASP 72 15.964 6.765 5.223 520 HB2 ASP 72 1HB ASP 72 17.595 4.939 6.703 521 HB3 ASP 72 2HB ASP 72 18.457 5.405 5.240 522 H VAL 73 H VAL 73 16.449 3.446 4.137 523 HA VAL 73 HA VAL 73 17.641 4.119 1.645 524 HB VAL 73 HB VAL 73 17.947 1.902 2.577 525 HG11 VAL 73 1HG1 VAL 73 15.216 0.985 1.941 526 HG12 VAL 73 2HG1 VAL 73 16.299 0.511 3.252 527 HG13 VAL 73 3HG1 VAL 73 15.377 2.011 3.366 528 HG21 VAL 73 3HG2 VAL 73 18.100 2.110 0.166 529 HG22 VAL 73 1HG2 VAL 73 17.393 0.551 0.592 530 HG23 VAL 73 2HG2 VAL 73 16.361 1.858 0.009 531 H ALA 74 H ALA 74 14.330 3.555 2.705 532 HA ALA 74 HA ALA 74 13.220 3.635 0.063 533 HB1 ALA 74 1HB ALA 74 11.644 4.122 2.564 534 HB2 ALA 74 2HB ALA 74 11.143 3.336 1.066 535 HB3 ALA 74 3HB ALA 74 12.248 2.513 2.167 536 H LYS 75 H LYS 75 14.702 5.975 1.703 537 HA LYS 75 HA LYS 75 12.781 8.106 1.165 538 HB2 LYS 75 1HB LYS 75 13.916 9.370 2.674 539 HB3 LYS 75 2HB LYS 75 14.474 7.796 3.227 540 HG2 LYS 75 1HG LYS 75 16.431 8.133 1.611 541 HG3 LYS 75 2HG LYS 75 15.927 9.825 1.571 542 HD2 LYS 75 1HD LYS 75 16.427 10.158 3.813 543 HD3 LYS 75 2HD LYS 75 16.342 8.436 4.190 544 HE2 LYS 75 1HE LYS 75 18.481 8.064 3.572 545 HE3 LYS 75 2HE LYS 75 18.404 9.211 2.236 546 HZ1 LYS 75 3HZ LYS 75 19.212 10.850 3.500 547 HZ2 LYS 75 1HZ LYS 75 19.738 9.619 4.535 548 HZ3 LYS 75 2HZ LYS 75 18.285 10.425 4.849 549 H VAL 76 H VAL 76 15.763 6.777 -0.056 550 HA VAL 76 HA VAL 76 15.697 8.762 -2.233 551 HB VAL 76 HB VAL 76 17.616 9.189 -0.743 552 HG11 VAL 76 1HG1 VAL 76 19.090 6.801 -1.599 553 HG12 VAL 76 2HG1 VAL 76 19.056 7.616 -0.034 554 HG13 VAL 76 3HG1 VAL 76 17.770 6.490 -0.471 555 HG21 VAL 76 3HG2 VAL 76 19.251 8.351 -2.886 556 HG22 VAL 76 1HG2 VAL 76 17.676 8.763 -3.564 557 HG23 VAL 76 2HG2 VAL 76 18.561 9.949 -2.604 558 H PHE 77 H PHE 77 16.325 5.465 -1.226 559 HA PHE 77 HA PHE 77 16.695 4.634 -4.009 560 HB2 PHE 77 1HB PHE 77 17.393 3.481 -1.364 561 HB3 PHE 77 2HB PHE 77 16.982 2.338 -2.639 562 HD1 PHE 77 HD2 PHE 77 18.678 5.587 -3.105 563 HD2 PHE 77 HD1 PHE 77 19.088 1.352 -2.988 564 HE1 PHE 77 HE2 PHE 77 20.957 5.785 -4.011 565 HE2 PHE 77 HE1 PHE 77 21.367 1.544 -3.893 566 HZ PHE 77 HZ PHE 77 22.304 3.763 -4.407 Start of MODEL 15 1 H1 ALA 1 H ALA 1 1.242 -2.668 1.895 2 HA ALA 1 HA ALA 1 2.057 -1.042 -0.358 3 HB1 ALA 1 1HB ALA 1 3.822 -0.734 1.850 4 HB2 ALA 1 2HB ALA 1 2.608 0.392 1.240 5 HB3 ALA 1 3HB ALA 1 2.169 -0.803 2.461 6 H ASP 2 H ASP 2 3.858 -1.278 -1.563 7 HA ASP 2 HA ASP 2 5.709 -3.454 -0.839 8 HB2 ASP 2 1HB ASP 2 4.395 -2.824 -3.455 9 HB3 ASP 2 2HB ASP 2 5.993 -3.564 -3.450 10 H ASP 3 H ASP 3 6.539 -1.255 0.158 11 HA ASP 3 HA ASP 3 7.826 0.601 -1.537 12 HB2 ASP 3 1HB ASP 3 8.755 -0.019 1.257 13 HB3 ASP 3 2HB ASP 3 8.764 1.527 0.412 14 H MET 4 H MET 4 8.779 -2.493 -0.242 15 HA MET 4 HA MET 4 11.564 -2.257 -0.689 16 HB2 MET 4 1HB MET 4 9.799 -4.706 -0.537 17 HB3 MET 4 2HB MET 4 11.557 -4.744 -0.547 18 HG2 MET 4 1HG MET 4 9.949 -3.280 1.526 19 HG3 MET 4 2HG MET 4 10.473 -4.953 1.701 20 HE1 MET 4 3HE MET 4 13.291 -5.513 2.464 21 HE2 MET 4 1HE MET 4 12.920 -5.433 0.742 22 HE3 MET 4 2HE MET 4 14.325 -4.579 1.381 23 H GLU 5 H GLU 5 8.889 -2.836 -2.778 24 HA GLU 5 HA GLU 5 10.239 -4.202 -4.859 25 HB2 GLU 5 1HB GLU 5 7.824 -4.230 -4.745 26 HB3 GLU 5 2HB GLU 5 7.757 -2.480 -4.898 27 HG2 GLU 5 1HG GLU 5 8.433 -2.547 -7.151 28 HG3 GLU 5 2HG GLU 5 8.929 -4.234 -7.031 29 H ARG 6 H ARG 6 9.207 -0.790 -4.665 30 HA ARG 6 HA ARG 6 10.496 0.115 -6.946 31 HB2 ARG 6 1HB ARG 6 10.493 2.364 -5.771 32 HB3 ARG 6 2HB ARG 6 8.935 1.562 -5.912 33 HG2 ARG 6 1HG ARG 6 9.064 0.832 -3.609 34 HG3 ARG 6 2HG ARG 6 10.674 1.537 -3.455 35 HD2 ARG 6 1HD ARG 6 9.697 3.758 -3.957 36 HD3 ARG 6 2HD ARG 6 8.098 3.015 -3.976 37 HE ARG 6 HE ARG 6 9.576 2.562 -1.547 38 HH11 ARG 6 1HH1 ARG 6 7.403 4.693 -3.237 39 HH12 ARG 6 2HH1 ARG 6 6.770 5.406 -1.791 40 HH21 ARG 6 1HH2 ARG 6 8.750 3.493 0.364 41 HH22 ARG 6 2HH2 ARG 6 7.537 4.724 0.257 42 H ILE 7 H ILE 7 11.724 -0.157 -3.638 43 HA ILE 7 HA ILE 7 14.254 1.022 -4.205 44 HB ILE 7 HB ILE 7 13.404 -0.771 -1.929 45 HG12 ILE 7 1HG1 ILE 7 13.974 2.130 -1.599 46 HG13 ILE 7 2HG1 ILE 7 12.477 1.694 -2.415 47 HG21 ILE 7 1HG2 ILE 7 15.991 0.498 -2.609 48 HG22 ILE 7 2HG2 ILE 7 15.484 0.558 -0.922 49 HG23 ILE 7 3HG2 ILE 7 15.654 -0.997 -1.737 50 HD11 ILE 7 3HD1 ILE 7 13.237 1.446 0.405 51 HD12 ILE 7 1HD1 ILE 7 11.653 1.681 -0.334 52 HD13 ILE 7 2HD1 ILE 7 12.364 0.068 -0.265 53 H PHE 8 H PHE 8 12.982 -2.240 -4.298 54 HA PHE 8 HA PHE 8 15.391 -3.663 -4.394 55 HB2 PHE 8 1HB PHE 8 13.339 -4.854 -4.054 56 HB3 PHE 8 2HB PHE 8 12.678 -4.266 -5.577 57 HD1 PHE 8 HD1 PHE 8 15.283 -6.446 -4.110 58 HD2 PHE 8 HD2 PHE 8 13.035 -5.431 -7.578 59 HE1 PHE 8 HE1 PHE 8 16.141 -8.451 -5.249 60 HE2 PHE 8 HE2 PHE 8 13.888 -7.435 -8.722 61 HZ PHE 8 HZ PHE 8 15.442 -8.949 -7.557 62 H LYS 9 H LYS 9 13.688 -1.839 -6.825 63 HA LYS 9 HA LYS 9 14.918 -2.896 -9.122 64 HB2 LYS 9 1HB LYS 9 14.044 -0.028 -8.798 65 HB3 LYS 9 2HB LYS 9 14.095 -0.982 -10.275 66 HG2 LYS 9 1HG LYS 9 12.202 -1.313 -7.961 67 HG3 LYS 9 2HG LYS 9 11.819 -0.753 -9.591 68 HD2 LYS 9 1HD LYS 9 12.821 -3.504 -8.856 69 HD3 LYS 9 2HD LYS 9 11.155 -3.087 -9.265 70 HE2 LYS 9 1HE LYS 9 13.548 -2.810 -11.083 71 HE3 LYS 9 2HE LYS 9 12.330 -4.082 -11.168 72 HZ1 LYS 9 3HZ LYS 9 11.946 -2.295 -12.779 73 HZ2 LYS 9 1HZ LYS 9 11.779 -1.185 -11.513 74 HZ3 LYS 9 2HZ LYS 9 10.664 -2.444 -11.685 75 H ARG 10 H ARG 10 16.063 -0.749 -6.674 76 HA ARG 10 HA ARG 10 18.242 0.286 -8.274 77 HB2 ARG 10 1HB ARG 10 17.904 0.531 -5.286 78 HB3 ARG 10 2HB ARG 10 18.846 1.564 -6.353 79 HG2 ARG 10 1HG ARG 10 15.850 1.317 -6.468 80 HG3 ARG 10 2HG ARG 10 16.711 2.564 -5.564 81 HD2 ARG 10 1HD ARG 10 17.345 2.161 -8.449 82 HD3 ARG 10 2HD ARG 10 15.862 3.008 -8.010 83 HE ARG 10 HE ARG 10 18.146 4.039 -6.640 84 HH11 ARG 10 1HH1 ARG 10 16.401 4.112 -9.651 85 HH12 ARG 10 2HH1 ARG 10 16.962 5.692 -10.088 86 HH21 ARG 10 1HH2 ARG 10 18.891 6.119 -7.204 87 HH22 ARG 10 2HH2 ARG 10 18.379 6.832 -8.696 88 H PHE 11 H PHE 11 18.005 -1.685 -5.308 89 HA PHE 11 HA PHE 11 20.677 -2.374 -5.083 90 HB2 PHE 11 1HB PHE 11 18.153 -3.799 -4.273 91 HB3 PHE 11 2HB PHE 11 19.737 -4.497 -3.953 92 HD1 PHE 11 HD1 PHE 11 17.738 -1.413 -3.404 93 HD2 PHE 11 HD2 PHE 11 20.891 -3.920 -2.031 94 HE1 PHE 11 HE1 PHE 11 17.908 -0.068 -1.350 95 HE2 PHE 11 HE2 PHE 11 21.066 -2.579 0.025 96 HZ PHE 11 HZ PHE 11 19.573 -0.651 0.368 97 H ASP 12 H ASP 12 18.230 -3.628 -7.221 98 HA ASP 12 HA ASP 12 19.978 -5.791 -8.114 99 HB2 ASP 12 1HB ASP 12 17.643 -6.372 -7.767 100 HB3 ASP 12 2HB ASP 12 17.131 -5.089 -8.860 101 H THR 13 H THR 13 21.382 -3.812 -8.804 102 HA THR 13 HA THR 13 20.749 -2.252 -11.022 103 HB THR 13 HB THR 13 23.423 -3.283 -10.071 104 HG1 THR 13 HG1 THR 13 22.418 -1.796 -8.680 105 HG21 THR 13 3HG2 THR 13 22.831 -1.232 -12.207 106 HG22 THR 13 1HG2 THR 13 23.615 -2.793 -12.440 107 HG23 THR 13 2HG2 THR 13 24.420 -1.534 -11.505 108 H ASN 14 H ASN 14 21.493 -5.604 -10.816 109 HA ASN 14 HA ASN 14 22.265 -5.877 -13.586 110 HB2 ASN 14 1HB ASN 14 23.296 -7.433 -12.128 111 HB3 ASN 14 2HB ASN 14 21.767 -7.845 -11.358 112 HD21 ASN 14 2HD2 ASN 14 22.288 -7.506 -14.806 113 HD22 ASN 14 1HD2 ASN 14 22.020 -9.166 -15.201 114 H GLY 15 H GLY 15 19.360 -5.585 -11.912 115 HA2 GLY 15 1HA GLY 15 17.161 -5.991 -12.454 116 HA3 GLY 15 2HA GLY 15 17.697 -5.674 -14.097 117 H ASP 16 H ASP 16 18.473 -8.366 -11.915 118 HA ASP 16 HA ASP 16 17.318 -10.188 -13.924 119 HB2 ASP 16 1HB ASP 16 19.201 -11.407 -13.924 120 HB3 ASP 16 2HB ASP 16 19.956 -10.065 -13.068 121 H GLY 17 H GLY 17 17.156 -9.068 -10.741 122 HA2 GLY 17 1HA GLY 17 15.239 -9.675 -9.408 123 HA3 GLY 17 2HA GLY 17 15.371 -11.308 -10.044 124 H LYS 18 H LYS 18 18.336 -9.842 -9.204 125 HA LYS 18 HA LYS 18 18.318 -10.801 -6.467 126 HB2 LYS 18 1HB LYS 18 20.381 -11.908 -8.365 127 HB3 LYS 18 2HB LYS 18 20.072 -12.389 -6.702 128 HG2 LYS 18 1HG LYS 18 17.882 -13.278 -7.394 129 HG3 LYS 18 2HG LYS 18 18.264 -12.856 -9.065 130 HD2 LYS 18 1HD LYS 18 20.326 -14.441 -7.707 131 HD3 LYS 18 2HD LYS 18 18.779 -15.269 -7.906 132 HE2 LYS 18 1HE LYS 18 18.967 -14.325 -10.354 133 HE3 LYS 18 2HE LYS 18 20.686 -14.269 -9.968 134 HZ1 LYS 18 3HZ LYS 18 20.095 -16.717 -9.145 135 HZ2 LYS 18 1HZ LYS 18 20.598 -16.374 -10.723 136 HZ3 LYS 18 2HZ LYS 18 18.952 -16.565 -10.383 137 H ILE 19 H ILE 19 20.399 -10.315 -5.356 138 HA ILE 19 HA ILE 19 21.727 -7.984 -6.578 139 HB ILE 19 HB ILE 19 21.474 -8.280 -3.607 140 HG12 ILE 19 1HG1 ILE 19 19.187 -8.437 -4.359 141 HG13 ILE 19 2HG1 ILE 19 19.452 -6.814 -3.731 142 HG21 ILE 19 1HG2 ILE 19 22.367 -6.261 -5.520 143 HG22 ILE 19 2HG2 ILE 19 21.302 -5.631 -4.264 144 HG23 ILE 19 3HG2 ILE 19 22.784 -6.478 -3.820 145 HD11 ILE 19 3HD1 ILE 19 20.032 -6.744 -6.489 146 HD12 ILE 19 1HD1 ILE 19 18.511 -7.614 -6.289 147 HD13 ILE 19 2HD1 ILE 19 18.690 -5.987 -5.630 148 H SER 20 H SER 20 23.802 -8.331 -6.964 149 HA SER 20 HA SER 20 25.221 -10.367 -5.392 150 HB2 SER 20 1HB SER 20 26.696 -9.370 -7.677 151 HB3 SER 20 2HB SER 20 26.183 -11.017 -7.312 152 HG SER 20 HG SER 20 24.000 -9.951 -8.021 153 H LEU 21 H LEU 21 27.816 -9.670 -5.807 154 HA LEU 21 HA LEU 21 28.188 -7.600 -3.889 155 HB2 LEU 21 1HB LEU 21 30.381 -8.641 -5.636 156 HB3 LEU 21 2HB LEU 21 30.450 -8.126 -3.952 157 HG LEU 21 HG LEU 21 29.327 -10.706 -5.033 158 HD11 LEU 21 1HD1 LEU 21 31.246 -11.657 -4.414 159 HD12 LEU 21 2HD1 LEU 21 31.293 -10.775 -2.888 160 HD13 LEU 21 3HD1 LEU 21 31.903 -10.021 -4.360 161 HD21 LEU 21 3HD2 LEU 21 27.977 -10.775 -3.271 162 HD22 LEU 21 1HD2 LEU 21 28.625 -9.256 -2.652 163 HD23 LEU 21 2HD2 LEU 21 29.406 -10.781 -2.236 164 H SER 22 H SER 22 27.993 -7.674 -7.319 165 HA SER 22 HA SER 22 29.399 -5.173 -7.705 166 HB2 SER 22 1HB SER 22 28.862 -7.323 -9.345 167 HB3 SER 22 2HB SER 22 27.723 -6.106 -9.922 168 HG SER 22 HG SER 22 29.326 -4.981 -10.699 169 H GLU 23 H GLU 23 26.093 -6.315 -7.468 170 HA GLU 23 HA GLU 23 24.988 -3.737 -8.201 171 HB2 GLU 23 1HB GLU 23 23.533 -6.132 -7.076 172 HB3 GLU 23 2HB GLU 23 22.832 -4.768 -7.936 173 HG2 GLU 23 1HG GLU 23 23.737 -5.460 -9.990 174 HG3 GLU 23 2HG GLU 23 24.833 -6.601 -9.213 175 H LEU 24 H LEU 24 24.952 -5.812 -5.302 176 HA LEU 24 HA LEU 24 23.646 -4.141 -3.555 177 HB2 LEU 24 1HB LEU 24 24.626 -6.526 -3.248 178 HB3 LEU 24 2HB LEU 24 26.050 -5.676 -2.652 179 HG LEU 24 HG LEU 24 23.387 -5.069 -1.449 180 HD11 LEU 24 1HD1 LEU 24 24.914 -7.184 -0.114 181 HD12 LEU 24 2HD1 LEU 24 24.154 -7.669 -1.630 182 HD13 LEU 24 3HD1 LEU 24 23.173 -6.997 -0.327 183 HD21 LEU 24 3HD2 LEU 24 25.791 -4.015 -1.014 184 HD22 LEU 24 1HD2 LEU 24 25.903 -5.391 0.084 185 HD23 LEU 24 2HD2 LEU 24 24.600 -4.217 0.272 186 H THR 25 H THR 25 27.152 -4.259 -4.162 187 HA THR 25 HA THR 25 27.999 -2.305 -2.420 188 HB THR 25 HB THR 25 29.548 -3.661 -3.756 189 HG1 THR 25 HG1 THR 25 29.989 -0.916 -4.349 190 HG21 THR 25 3HG2 THR 25 28.099 -3.259 -5.891 191 HG22 THR 25 1HG2 THR 25 29.844 -3.460 -6.042 192 HG23 THR 25 2HG2 THR 25 29.134 -1.846 -6.097 193 H ASP 26 H ASP 26 26.629 -1.905 -5.654 194 HA ASP 26 HA ASP 26 27.068 0.810 -6.020 195 HB2 ASP 26 1HB ASP 26 24.610 -0.732 -6.876 196 HB3 ASP 26 2HB ASP 26 25.211 0.763 -7.587 197 H ALA 27 H ALA 27 24.856 -0.812 -3.909 198 HA ALA 27 HA ALA 27 23.236 1.544 -3.440 199 HB1 ALA 27 1HB ALA 27 22.860 -1.205 -3.112 200 HB2 ALA 27 2HB ALA 27 22.868 -0.533 -1.481 201 HB3 ALA 27 3HB ALA 27 21.739 0.088 -2.684 202 H LEU 28 H LEU 28 25.195 -0.556 -1.315 203 HA LEU 28 HA LEU 28 25.260 1.153 0.876 204 HB2 LEU 28 1HB LEU 28 27.527 -0.659 0.096 205 HB3 LEU 28 2HB LEU 28 27.036 -0.168 1.716 206 HG LEU 28 HG LEU 28 25.654 -2.115 -0.120 207 HD11 LEU 28 1HD1 LEU 28 25.991 -3.168 2.431 208 HD12 LEU 28 2HD1 LEU 28 27.501 -2.325 2.087 209 HD13 LEU 28 3HD1 LEU 28 26.915 -3.571 0.984 210 HD21 LEU 28 3HD2 LEU 28 23.853 -0.961 0.819 211 HD22 LEU 28 1HD2 LEU 28 24.675 -0.747 2.364 212 HD23 LEU 28 2HD2 LEU 28 24.084 -2.341 1.894 213 H ARG 29 H ARG 29 26.984 1.305 -2.109 214 HA ARG 29 HA ARG 29 29.011 3.116 -1.110 215 HB2 ARG 29 1HB ARG 29 29.965 3.027 -3.260 216 HB3 ARG 29 2HB ARG 29 29.338 1.408 -2.982 217 HG2 ARG 29 1HG ARG 29 28.553 1.715 -5.078 218 HG3 ARG 29 2HG ARG 29 27.214 2.452 -4.195 219 HD2 ARG 29 1HD ARG 29 27.578 4.206 -5.548 220 HD3 ARG 29 2HD ARG 29 28.905 4.560 -4.442 221 HE ARG 29 HE ARG 29 30.061 2.914 -6.230 222 HH11 ARG 29 1HH1 ARG 29 28.110 5.776 -6.581 223 HH12 ARG 29 2HH1 ARG 29 28.863 6.265 -8.064 224 HH21 ARG 29 1HH2 ARG 29 31.059 3.547 -8.180 225 HH22 ARG 29 2HH2 ARG 29 30.539 4.996 -8.973 226 H THR 30 H THR 30 25.873 3.298 -2.512 227 HA THR 30 HA THR 30 26.180 6.077 -3.318 228 HB THR 30 HB THR 30 23.825 4.189 -3.457 229 HG1 THR 30 HG1 THR 30 24.530 3.846 -5.427 230 HG21 THR 30 3HG2 THR 30 22.816 6.292 -3.167 231 HG22 THR 30 1HG2 THR 30 22.858 6.060 -4.914 232 HG23 THR 30 2HG2 THR 30 24.041 7.111 -4.135 233 H LEU 31 H LEU 31 24.938 4.210 -0.673 234 HA LEU 31 HA LEU 31 23.701 6.605 0.497 235 HB2 LEU 31 1HB LEU 31 23.474 3.837 1.618 236 HB3 LEU 31 2HB LEU 31 22.396 5.214 1.843 237 HG LEU 31 HG LEU 31 22.647 3.442 -0.579 238 HD11 LEU 31 1HD1 LEU 31 20.556 2.657 -0.059 239 HD12 LEU 31 2HD1 LEU 31 20.120 4.100 0.855 240 HD13 LEU 31 3HD1 LEU 31 21.224 2.914 1.553 241 HD21 LEU 31 3HD2 LEU 31 21.007 5.956 -0.287 242 HD22 LEU 31 1HD2 LEU 31 21.021 4.864 -1.672 243 HD23 LEU 31 2HD2 LEU 31 22.463 5.798 -1.271 244 H GLY 32 H GLY 32 26.377 4.469 0.762 245 HA2 GLY 32 1HA GLY 32 27.192 5.858 3.234 246 HA3 GLY 32 2HA GLY 32 27.391 4.120 3.071 247 H SER 33 H SER 33 28.097 4.402 0.199 248 HA SER 33 HA SER 33 29.901 4.853 -1.145 249 HB2 SER 33 1HB SER 33 29.911 7.070 0.317 250 HB3 SER 33 2HB SER 33 31.365 6.336 0.995 251 HG SER 33 HG SER 33 30.917 7.394 -1.518 252 H THR 34 H THR 34 29.636 2.588 0.599 253 HA THR 34 HA THR 34 32.297 2.023 1.607 254 HB THR 34 HB THR 34 30.078 1.250 2.682 255 HG1 THR 34 HG1 THR 34 32.404 0.454 2.994 256 HG21 THR 34 3HG2 THR 34 29.380 0.227 0.397 257 HG22 THR 34 1HG2 THR 34 29.018 -0.655 1.879 258 HG23 THR 34 2HG2 THR 34 30.398 -1.127 0.887 259 H SER 35 H SER 35 32.707 -0.588 1.085 260 HA SER 35 HA SER 35 32.853 -0.733 -1.855 261 HB2 SER 35 1HB SER 35 34.960 -1.155 0.218 262 HB3 SER 35 2HB SER 35 35.008 -2.157 -1.233 263 HG SER 35 HG SER 35 34.748 0.014 -2.334 264 H ALA 36 H ALA 36 33.635 -3.148 -2.400 265 HA ALA 36 HA ALA 36 31.431 -4.803 -1.755 266 HB1 ALA 36 1HB ALA 36 33.865 -6.087 -2.821 267 HB2 ALA 36 2HB ALA 36 32.195 -6.173 -3.381 268 HB3 ALA 36 3HB ALA 36 33.189 -4.773 -3.783 269 H ASP 37 H ASP 37 34.556 -4.358 -0.334 270 HA ASP 37 HA ASP 37 35.032 -6.759 0.929 271 HB2 ASP 37 1HB ASP 37 35.616 -3.914 1.656 272 HB3 ASP 37 2HB ASP 37 35.967 -5.188 2.820 273 H GLU 38 H GLU 38 32.675 -4.301 1.710 274 HA GLU 38 HA GLU 38 31.908 -5.742 4.144 275 HB2 GLU 38 1HB GLU 38 30.673 -3.165 3.220 276 HB3 GLU 38 2HB GLU 38 30.797 -3.804 4.853 277 HG2 GLU 38 1HG GLU 38 33.099 -2.790 3.201 278 HG3 GLU 38 2HG GLU 38 32.281 -1.894 4.480 279 H VAL 39 H VAL 39 30.925 -5.159 0.898 280 HA VAL 39 HA VAL 39 28.158 -5.608 1.113 281 HB VAL 39 HB VAL 39 30.077 -6.041 -1.169 282 HG11 VAL 39 1HG1 VAL 39 27.106 -6.484 -1.062 283 HG12 VAL 39 2HG1 VAL 39 27.963 -6.155 -2.570 284 HG13 VAL 39 3HG1 VAL 39 28.360 -7.589 -1.623 285 HG21 VAL 39 3HG2 VAL 39 29.639 -3.922 -1.759 286 HG22 VAL 39 1HG2 VAL 39 27.920 -4.076 -1.392 287 HG23 VAL 39 2HG2 VAL 39 29.072 -3.738 -0.099 288 H GLN 40 H GLN 40 30.705 -7.879 0.063 289 HA GLN 40 HA GLN 40 29.153 -10.161 -0.087 290 HB2 GLN 40 1HB GLN 40 31.345 -11.375 0.455 291 HB3 GLN 40 2HB GLN 40 31.327 -10.324 -0.955 292 HG2 GLN 40 1HG GLN 40 32.708 -8.781 -0.001 293 HG3 GLN 40 2HG GLN 40 32.200 -9.177 1.640 294 HE21 GLN 40 2HE2 GLN 40 32.625 -11.812 1.837 295 HE22 GLN 40 1HE2 GLN 40 34.298 -12.187 1.624 296 H ARG 41 H ARG 41 30.291 -8.475 2.705 297 HA ARG 41 HA ARG 41 29.837 -10.693 4.509 298 HB2 ARG 41 1HB ARG 41 30.284 -7.817 5.288 299 HB3 ARG 41 2HB ARG 41 30.608 -9.262 6.236 300 HG2 ARG 41 1HG ARG 41 32.421 -9.865 4.733 301 HG3 ARG 41 2HG ARG 41 32.082 -8.445 3.741 302 HD2 ARG 41 1HD ARG 41 32.987 -7.002 5.252 303 HD3 ARG 41 2HD ARG 41 32.553 -8.007 6.634 304 HE ARG 41 HE ARG 41 34.994 -8.107 5.110 305 HH11 ARG 41 1HH1 ARG 41 32.858 -9.843 7.240 306 HH12 ARG 41 2HH1 ARG 41 34.088 -10.925 7.805 307 HH21 ARG 41 1HH2 ARG 41 36.623 -9.525 5.844 308 HH22 ARG 41 2HH2 ARG 41 36.229 -10.743 7.010 309 H MET 42 H MET 42 28.179 -7.801 3.438 310 HA MET 42 HA MET 42 26.145 -7.888 5.448 311 HB2 MET 42 1HB MET 42 26.583 -5.773 4.445 312 HB3 MET 42 2HB MET 42 26.386 -6.423 2.823 313 HG2 MET 42 1HG MET 42 24.152 -6.232 2.873 314 HG3 MET 42 2HG MET 42 24.044 -6.698 4.569 315 HE1 MET 42 3HE MET 42 26.078 -4.213 5.919 316 HE2 MET 42 1HE MET 42 24.576 -3.523 6.534 317 HE3 MET 42 2HE MET 42 24.776 -5.274 6.461 318 H MET 43 H MET 43 26.388 -8.958 2.081 319 HA MET 43 HA MET 43 23.688 -9.926 1.996 320 HB2 MET 43 1HB MET 43 24.435 -10.962 -0.170 321 HB3 MET 43 2HB MET 43 24.647 -9.219 -0.071 322 HG2 MET 43 1HG MET 43 26.767 -9.475 -0.626 323 HG3 MET 43 2HG MET 43 27.030 -10.363 0.873 324 HE1 MET 43 3HE MET 43 24.660 -11.665 -2.046 325 HE2 MET 43 1HE MET 43 25.854 -10.621 -2.817 326 HE3 MET 43 2HE MET 43 25.875 -12.358 -3.122 327 H ALA 44 H ALA 44 26.773 -11.204 2.913 328 HA ALA 44 HA ALA 44 26.334 -13.944 2.595 329 HB1 ALA 44 1HB ALA 44 28.165 -12.254 4.145 330 HB2 ALA 44 2HB ALA 44 27.886 -13.860 4.820 331 HB3 ALA 44 3HB ALA 44 28.489 -13.689 3.172 332 H GLU 45 H GLU 45 25.195 -11.709 5.023 333 HA GLU 45 HA GLU 45 24.164 -13.873 6.685 334 HB2 GLU 45 1HB GLU 45 23.422 -11.993 8.176 335 HB3 GLU 45 2HB GLU 45 25.159 -12.088 7.918 336 HG2 GLU 45 1HG GLU 45 25.020 -10.296 6.270 337 HG3 GLU 45 2HG GLU 45 23.277 -10.203 6.517 338 H ILE 46 H ILE 46 23.081 -11.446 4.429 339 HA ILE 46 HA ILE 46 20.300 -11.665 5.050 340 HB ILE 46 HB ILE 46 21.678 -10.584 2.590 341 HG12 ILE 46 1HG1 ILE 46 20.354 -9.075 4.847 342 HG13 ILE 46 2HG1 ILE 46 22.077 -9.435 4.814 343 HG21 ILE 46 1HG2 ILE 46 19.516 -9.495 2.110 344 HG22 ILE 46 2HG2 ILE 46 19.426 -11.253 2.031 345 HG23 ILE 46 3HG2 ILE 46 18.791 -10.401 3.438 346 HD11 ILE 46 3HD1 ILE 46 20.607 -7.853 2.720 347 HD12 ILE 46 1HD1 ILE 46 21.551 -7.165 4.041 348 HD13 ILE 46 2HD1 ILE 46 22.345 -8.137 2.802 349 H ASP 47 H ASP 47 22.480 -13.221 2.774 350 HA ASP 47 HA ASP 47 20.614 -14.447 1.104 351 HB2 ASP 47 1HB ASP 47 23.401 -14.516 1.449 352 HB3 ASP 47 2HB ASP 47 22.867 -16.188 1.597 353 H THR 48 H THR 48 18.939 -15.615 1.780 354 HA THR 48 HA THR 48 18.933 -17.097 4.216 355 HB THR 48 HB THR 48 16.974 -17.157 1.912 356 HG1 THR 48 HG1 THR 48 17.238 -15.587 4.240 357 HG21 THR 48 3HG2 THR 48 16.661 -18.163 4.743 358 HG22 THR 48 1HG2 THR 48 16.839 -19.176 3.311 359 HG23 THR 48 2HG2 THR 48 15.413 -18.155 3.498 360 H ASP 49 H ASP 49 19.644 -17.848 0.896 361 HA ASP 49 HA ASP 49 19.927 -20.692 1.613 362 HB2 ASP 49 1HB ASP 49 20.004 -20.714 -1.099 363 HB3 ASP 49 2HB ASP 49 18.533 -20.932 -0.156 364 H GLY 50 H GLY 50 21.589 -17.859 0.815 365 HA2 GLY 50 1HA GLY 50 23.789 -17.405 0.343 366 HA3 GLY 50 2HA GLY 50 24.130 -18.937 1.133 367 H ASP 51 H ASP 51 23.242 -17.478 -1.963 368 HA ASP 51 HA ASP 51 24.643 -19.697 -3.300 369 HB2 ASP 51 1HB ASP 51 23.025 -19.864 -4.961 370 HB3 ASP 51 2HB ASP 51 22.048 -19.566 -3.526 371 H GLY 52 H GLY 52 25.215 -16.769 -2.440 372 HA2 GLY 52 1HA GLY 52 26.861 -15.340 -3.281 373 HA3 GLY 52 2HA GLY 52 26.725 -16.137 -4.841 374 H PHE 53 H PHE 53 23.674 -15.397 -3.732 375 HA PHE 53 HA PHE 53 23.645 -12.675 -4.765 376 HB2 PHE 53 1HB PHE 53 22.076 -14.937 -6.012 377 HB3 PHE 53 2HB PHE 53 21.743 -13.234 -6.308 378 HD1 PHE 53 HD2 PHE 53 24.125 -15.970 -6.846 379 HD2 PHE 53 HD1 PHE 53 23.159 -11.917 -7.717 380 HE1 PHE 53 HE2 PHE 53 25.796 -15.964 -8.652 381 HE2 PHE 53 HE1 PHE 53 24.827 -11.905 -9.525 382 HZ PHE 53 HZ PHE 53 26.149 -13.929 -9.994 383 H ILE 54 H ILE 54 21.820 -11.475 -4.149 384 HA ILE 54 HA ILE 54 20.287 -12.699 -1.959 385 HB ILE 54 HB ILE 54 20.944 -9.816 -2.548 386 HG12 ILE 54 1HG1 ILE 54 22.709 -11.128 -1.449 387 HG13 ILE 54 2HG1 ILE 54 22.051 -9.910 -0.361 388 HG21 ILE 54 1HG2 ILE 54 19.710 -9.857 -0.091 389 HG22 ILE 54 2HG2 ILE 54 18.990 -9.301 -1.601 390 HG23 ILE 54 3HG2 ILE 54 18.722 -10.956 -1.054 391 HD11 ILE 54 3HD1 ILE 54 22.227 -11.772 0.986 392 HD12 ILE 54 1HD1 ILE 54 20.538 -11.824 0.480 393 HD13 ILE 54 2HD1 ILE 54 21.725 -12.875 -0.295 394 H ASP 55 H ASP 55 18.431 -13.492 -2.745 395 HA ASP 55 HA ASP 55 17.045 -12.467 -4.982 396 HB2 ASP 55 1HB ASP 55 15.788 -14.104 -2.784 397 HB3 ASP 55 2HB ASP 55 15.358 -14.062 -4.492 398 H PHE 56 H PHE 56 14.433 -12.213 -4.377 399 HA PHE 56 HA PHE 56 14.358 -9.596 -3.154 400 HB2 PHE 56 1HB PHE 56 13.094 -10.305 -5.266 401 HB3 PHE 56 2HB PHE 56 11.986 -11.144 -4.184 402 HD1 PHE 56 HD1 PHE 56 11.137 -9.622 -2.162 403 HD2 PHE 56 HD2 PHE 56 12.527 -8.187 -5.920 404 HE1 PHE 56 HE1 PHE 56 9.883 -7.533 -1.824 405 HE2 PHE 56 HE2 PHE 56 11.277 -6.095 -5.588 406 HZ PHE 56 HZ PHE 56 9.953 -5.765 -3.538 407 H ASN 57 H ASN 57 13.090 -12.823 -2.488 408 HA ASN 57 HA ASN 57 11.456 -12.182 -0.310 409 HB2 ASN 57 1HB ASN 57 12.717 -14.629 -1.384 410 HB3 ASN 57 2HB ASN 57 12.304 -14.683 0.327 411 HD21 ASN 57 2HD2 ASN 57 10.958 -13.867 -2.838 412 HD22 ASN 57 1HD2 ASN 57 9.350 -14.392 -2.484 413 H GLU 58 H GLU 58 14.686 -13.692 -0.136 414 HA GLU 58 HA GLU 58 15.093 -13.369 2.578 415 HB2 GLU 58 1HB GLU 58 17.556 -13.417 1.999 416 HB3 GLU 58 2HB GLU 58 16.597 -14.752 1.374 417 HG2 GLU 58 1HG GLU 58 16.421 -13.203 -0.741 418 HG3 GLU 58 2HG GLU 58 17.894 -12.504 -0.072 419 H PHE 59 H PHE 59 15.429 -11.044 -0.002 420 HA PHE 59 HA PHE 59 17.011 -9.111 1.191 421 HB2 PHE 59 1HB PHE 59 16.022 -9.165 -1.179 422 HB3 PHE 59 2HB PHE 59 14.594 -8.420 -0.469 423 HD1 PHE 59 HD1 PHE 59 18.296 -7.938 -0.334 424 HD2 PHE 59 HD2 PHE 59 14.450 -6.152 -0.706 425 HE1 PHE 59 HE1 PHE 59 19.348 -5.724 -0.552 426 HE2 PHE 59 HE2 PHE 59 15.497 -3.936 -0.925 427 HZ PHE 59 HZ PHE 59 17.949 -3.720 -0.850 428 H ILE 60 H ILE 60 13.542 -9.686 1.545 429 HA ILE 60 HA ILE 60 13.223 -7.444 3.346 430 HB ILE 60 HB ILE 60 11.160 -9.584 2.949 431 HG12 ILE 60 1HG1 ILE 60 11.786 -7.311 1.052 432 HG13 ILE 60 2HG1 ILE 60 11.939 -9.030 0.705 433 HG21 ILE 60 1HG2 ILE 60 10.886 -7.719 4.611 434 HG22 ILE 60 2HG2 ILE 60 10.850 -6.606 3.245 435 HG23 ILE 60 3HG2 ILE 60 9.606 -7.846 3.405 436 HD11 ILE 60 3HD1 ILE 60 9.862 -9.039 -0.038 437 HD12 ILE 60 1HD1 ILE 60 9.291 -8.582 1.566 438 HD13 ILE 60 2HD1 ILE 60 9.686 -7.336 0.382 439 H SER 61 H SER 61 13.683 -10.893 3.541 440 HA SER 61 HA SER 61 12.776 -11.448 6.095 441 HB2 SER 61 1HB SER 61 13.508 -13.255 4.711 442 HB3 SER 61 2HB SER 61 15.127 -12.572 4.565 443 HG SER 61 HG SER 61 13.920 -13.813 6.791 444 H PHE 62 H PHE 62 15.962 -10.233 5.103 445 HA PHE 62 HA PHE 62 16.788 -9.932 7.868 446 HB2 PHE 62 1HB PHE 62 18.126 -10.276 5.411 447 HB3 PHE 62 2HB PHE 62 18.574 -8.675 5.991 448 HD1 PHE 62 HD1 PHE 62 18.151 -12.125 7.355 449 HD2 PHE 62 HD2 PHE 62 20.447 -8.541 7.300 450 HE1 PHE 62 HE1 PHE 62 19.775 -13.146 8.896 451 HE2 PHE 62 HE2 PHE 62 22.075 -9.556 8.839 452 HZ PHE 62 HZ PHE 62 21.741 -11.862 9.639 453 H CYS 63 H CYS 63 16.221 -7.821 5.063 454 HA CYS 63 HA CYS 63 16.771 -5.372 6.181 455 HB2 CYS 63 1HB CYS 63 16.256 -5.518 3.848 456 HB3 CYS 63 2HB CYS 63 14.647 -6.147 4.180 457 HG CYS 63 HG CYS 63 13.448 -3.863 4.687 458 H ASN 64 H ASN 64 13.864 -7.328 6.526 459 HA ASN 64 HA ASN 64 12.182 -5.469 7.728 460 HB2 ASN 64 1HB ASN 64 11.420 -7.680 6.994 461 HB3 ASN 64 2HB ASN 64 12.372 -8.442 8.264 462 HD21 ASN 64 2HD2 ASN 64 10.334 -5.553 8.341 463 HD22 ASN 64 1HD2 ASN 64 9.256 -6.134 9.560 464 H ALA 65 H ALA 65 14.786 -7.390 9.089 465 HA ALA 65 HA ALA 65 14.204 -6.784 11.815 466 HB1 ALA 65 1HB ALA 65 16.104 -8.373 10.377 467 HB2 ALA 65 2HB ALA 65 16.935 -7.401 11.592 468 HB3 ALA 65 3HB ALA 65 15.619 -8.473 12.070 469 H ASN 66 H ASN 66 15.554 -4.993 9.280 470 HA ASN 66 HA ASN 66 16.861 -3.150 11.169 471 HB2 ASN 66 1HB ASN 66 17.385 -3.760 8.269 472 HB3 ASN 66 2HB ASN 66 17.941 -2.255 8.996 473 HD21 ASN 66 2HD2 ASN 66 17.838 -5.664 9.987 474 HD22 ASN 66 1HD2 ASN 66 19.499 -5.754 10.451 475 HA PRO 67 HA PRO 67 13.022 -0.996 9.758 476 HB2 PRO 67 1HB PRO 67 12.487 0.104 12.182 477 HB3 PRO 67 2HB PRO 67 11.960 -1.520 11.727 478 HG2 PRO 67 1HG PRO 67 14.316 -0.686 13.374 479 HG3 PRO 67 2HG PRO 67 13.171 -2.012 13.650 480 HD2 PRO 67 1HD PRO 67 15.630 -2.408 12.587 481 HD3 PRO 67 2HD PRO 67 14.228 -3.405 12.149 482 H GLY 68 H GLY 68 15.934 -0.020 11.403 483 HA2 GLY 68 1HA GLY 68 15.453 2.811 11.071 484 HA3 GLY 68 2HA GLY 68 16.927 2.063 11.669 485 H LEU 69 H LEU 69 16.697 0.299 9.122 486 HA LEU 69 HA LEU 69 18.296 2.099 7.482 487 HB2 LEU 69 1HB LEU 69 19.108 -0.170 8.011 488 HB3 LEU 69 2HB LEU 69 17.730 -0.843 7.143 489 HG LEU 69 HG LEU 69 19.741 0.935 5.792 490 HD11 LEU 69 1HD1 LEU 69 20.046 -1.835 6.687 491 HD12 LEU 69 2HD1 LEU 69 21.262 -0.660 6.185 492 HD13 LEU 69 3HD1 LEU 69 20.373 -1.581 4.972 493 HD21 LEU 69 3HD2 LEU 69 18.776 -0.925 4.015 494 HD22 LEU 69 1HD2 LEU 69 18.205 0.736 4.184 495 HD23 LEU 69 2HD2 LEU 69 17.370 -0.573 5.021 496 H MET 70 H MET 70 15.499 -0.069 7.085 497 HA MET 70 HA MET 70 14.888 0.488 4.447 498 HB2 MET 70 1HB MET 70 12.521 -0.083 5.086 499 HB3 MET 70 2HB MET 70 13.727 -1.272 5.559 500 HG2 MET 70 1HG MET 70 13.696 -0.433 7.834 501 HG3 MET 70 2HG MET 70 12.537 0.811 7.374 502 HE1 MET 70 3HE MET 70 11.595 -3.558 6.665 503 HE2 MET 70 1HE MET 70 13.154 -2.747 6.514 504 HE3 MET 70 2HE MET 70 12.629 -3.362 8.081 505 H LYS 71 H LYS 71 14.510 2.478 7.244 506 HA LYS 71 HA LYS 71 12.602 4.277 6.049 507 HB2 LYS 71 1HB LYS 71 14.266 4.435 8.564 508 HB3 LYS 71 2HB LYS 71 13.148 5.698 8.066 509 HG2 LYS 71 1HG LYS 71 11.284 4.188 8.241 510 HG3 LYS 71 2HG LYS 71 12.367 2.837 8.585 511 HD2 LYS 71 1HD LYS 71 13.154 4.368 10.560 512 HD3 LYS 71 2HD LYS 71 11.583 5.137 10.320 513 HE2 LYS 71 1HE LYS 71 11.507 2.207 10.381 514 HE3 LYS 71 2HE LYS 71 12.040 2.952 11.888 515 HZ1 LYS 71 3HZ LYS 71 9.801 2.962 12.200 516 HZ2 LYS 71 1HZ LYS 71 9.440 3.109 10.554 517 HZ3 LYS 71 2HZ LYS 71 9.960 4.460 11.429 518 H ASP 72 H ASP 72 16.064 4.018 6.295 519 HA ASP 72 HA ASP 72 16.502 6.731 5.357 520 HB2 ASP 72 1HB ASP 72 18.053 4.763 6.728 521 HB3 ASP 72 2HB ASP 72 18.896 5.199 5.244 522 H VAL 73 H VAL 73 16.752 3.426 4.147 523 HA VAL 73 HA VAL 73 17.894 4.114 1.637 524 HB VAL 73 HB VAL 73 18.088 1.850 2.498 525 HG11 VAL 73 1HG1 VAL 73 15.295 1.124 1.888 526 HG12 VAL 73 2HG1 VAL 73 16.371 0.538 3.157 527 HG13 VAL 73 3HG1 VAL 73 15.545 2.085 3.345 528 HG21 VAL 73 3HG2 VAL 73 18.237 2.091 0.110 529 HG22 VAL 73 1HG2 VAL 73 17.358 0.606 0.474 530 HG23 VAL 73 2HG2 VAL 73 16.481 2.045 -0.048 531 H ALA 74 H ALA 74 14.593 3.714 2.796 532 HA ALA 74 HA ALA 74 13.405 3.959 0.196 533 HB1 ALA 74 1HB ALA 74 11.938 4.424 2.767 534 HB2 ALA 74 2HB ALA 74 11.347 3.731 1.256 535 HB3 ALA 74 3HB ALA 74 12.438 2.803 2.284 536 H LYS 75 H LYS 75 15.061 6.142 1.894 537 HA LYS 75 HA LYS 75 13.250 8.397 1.516 538 HB2 LYS 75 1HB LYS 75 14.512 9.524 3.028 539 HB3 LYS 75 2HB LYS 75 15.013 7.901 3.484 540 HG2 LYS 75 1HG LYS 75 16.915 8.211 1.807 541 HG3 LYS 75 2HG LYS 75 16.491 9.924 1.839 542 HD2 LYS 75 1HD LYS 75 16.787 8.626 4.470 543 HD3 LYS 75 2HD LYS 75 18.267 8.779 3.520 544 HE2 LYS 75 1HE LYS 75 16.380 11.048 4.140 545 HE3 LYS 75 2HE LYS 75 17.856 10.699 5.038 546 HZ1 LYS 75 3HZ LYS 75 18.204 10.922 2.178 547 HZ2 LYS 75 1HZ LYS 75 19.131 11.571 3.437 548 HZ3 LYS 75 2HZ LYS 75 17.717 12.354 2.936 549 H VAL 76 H VAL 76 16.090 6.955 0.105 550 HA VAL 76 HA VAL 76 16.042 9.030 -1.987 551 HB VAL 76 HB VAL 76 18.043 9.256 -0.514 552 HG11 VAL 76 1HG1 VAL 76 19.188 6.794 -1.737 553 HG12 VAL 76 2HG1 VAL 76 19.609 7.607 -0.228 554 HG13 VAL 76 3HG1 VAL 76 18.141 6.634 -0.328 555 HG21 VAL 76 3HG2 VAL 76 19.619 8.736 -2.707 556 HG22 VAL 76 1HG2 VAL 76 18.015 8.940 -3.410 557 HG23 VAL 76 2HG2 VAL 76 18.712 10.221 -2.418 558 H PHE 77 H PHE 77 16.552 5.671 -1.130 559 HA PHE 77 HA PHE 77 16.774 4.930 -3.953 560 HB2 PHE 77 1HB PHE 77 17.524 3.661 -1.384 561 HB3 PHE 77 2HB PHE 77 16.967 2.571 -2.649 562 HD1 PHE 77 HD2 PHE 77 18.748 5.695 -3.371 563 HD2 PHE 77 HD1 PHE 77 19.076 1.474 -2.928 564 HE1 PHE 77 HE2 PHE 77 20.979 5.763 -4.406 565 HE2 PHE 77 HE1 PHE 77 21.308 1.536 -3.961 566 HZ PHE 77 HZ PHE 77 22.262 3.682 -4.702 Start of MODEL 16 1 H1 ALA 1 H ALA 1 1.415 -1.794 2.579 2 HA ALA 1 HA ALA 1 2.159 -0.714 0.012 3 HB1 ALA 1 1HB ALA 1 3.625 0.722 1.202 4 HB2 ALA 1 2HB ALA 1 2.152 0.589 2.164 5 HB3 ALA 1 3HB ALA 1 3.593 -0.316 2.628 6 H ASP 2 H ASP 2 4.041 -1.066 -1.118 7 HA ASP 2 HA ASP 2 5.815 -3.196 -0.130 8 HB2 ASP 2 1HB ASP 2 4.603 -2.942 -2.885 9 HB3 ASP 2 2HB ASP 2 5.983 -3.978 -2.533 10 H ASP 3 H ASP 3 6.729 -0.869 0.413 11 HA ASP 3 HA ASP 3 7.938 0.680 -1.575 12 HB2 ASP 3 1HB ASP 3 9.381 1.546 0.231 13 HB3 ASP 3 2HB ASP 3 7.689 1.477 0.716 14 H MET 4 H MET 4 8.869 -2.348 -0.168 15 HA MET 4 HA MET 4 11.616 -2.299 -0.827 16 HB2 MET 4 1HB MET 4 9.769 -4.674 -0.527 17 HB3 MET 4 2HB MET 4 11.526 -4.739 -0.530 18 HG2 MET 4 1HG MET 4 9.940 -3.168 1.480 19 HG3 MET 4 2HG MET 4 10.426 -4.844 1.721 20 HE1 MET 4 3HE MET 4 13.071 -5.524 2.447 21 HE2 MET 4 1HE MET 4 12.989 -5.324 0.696 22 HE3 MET 4 2HE MET 4 14.309 -4.589 1.606 23 H GLU 5 H GLU 5 8.763 -2.835 -2.695 24 HA GLU 5 HA GLU 5 9.900 -4.326 -4.814 25 HB2 GLU 5 1HB GLU 5 7.514 -4.277 -4.571 26 HB3 GLU 5 2HB GLU 5 7.482 -2.523 -4.692 27 HG2 GLU 5 1HG GLU 5 8.117 -2.617 -7.005 28 HG3 GLU 5 2HG GLU 5 8.340 -4.363 -6.912 29 H ARG 6 H ARG 6 9.259 -0.844 -4.445 30 HA ARG 6 HA ARG 6 10.447 -0.136 -6.931 31 HB2 ARG 6 1HB ARG 6 10.375 2.193 -5.990 32 HB3 ARG 6 2HB ARG 6 8.830 1.352 -5.997 33 HG2 ARG 6 1HG ARG 6 9.003 0.903 -3.643 34 HG3 ARG 6 2HG ARG 6 10.634 1.575 -3.599 35 HD2 ARG 6 1HD ARG 6 8.938 3.144 -2.742 36 HD3 ARG 6 2HD ARG 6 9.788 3.768 -4.156 37 HE ARG 6 HE ARG 6 7.487 2.502 -5.066 38 HH11 ARG 6 1HH1 ARG 6 8.343 5.234 -3.086 39 HH12 ARG 6 2HH1 ARG 6 6.917 6.134 -3.483 40 HH21 ARG 6 1HH2 ARG 6 5.606 3.677 -5.596 41 HH22 ARG 6 2HH2 ARG 6 5.360 5.247 -4.910 42 H ILE 7 H ILE 7 11.606 -0.294 -3.608 43 HA ILE 7 HA ILE 7 14.121 0.938 -4.120 44 HB ILE 7 HB ILE 7 13.276 -0.889 -1.868 45 HG12 ILE 7 1HG1 ILE 7 13.716 2.057 -1.600 46 HG13 ILE 7 2HG1 ILE 7 12.213 1.488 -2.320 47 HG21 ILE 7 1HG2 ILE 7 15.839 0.407 -2.522 48 HG22 ILE 7 2HG2 ILE 7 15.299 0.570 -0.851 49 HG23 ILE 7 3HG2 ILE 7 15.506 -1.032 -1.559 50 HD11 ILE 7 3HD1 ILE 7 13.106 1.446 0.459 51 HD12 ILE 7 1HD1 ILE 7 11.477 1.459 -0.216 52 HD13 ILE 7 2HD1 ILE 7 12.369 -0.058 -0.092 53 H PHE 8 H PHE 8 12.922 -2.348 -4.265 54 HA PHE 8 HA PHE 8 15.388 -3.696 -4.331 55 HB2 PHE 8 1HB PHE 8 13.418 -4.983 -3.959 56 HB3 PHE 8 2HB PHE 8 12.672 -4.395 -5.441 57 HD1 PHE 8 HD1 PHE 8 15.309 -6.578 -4.078 58 HD2 PHE 8 HD2 PHE 8 13.084 -5.439 -7.523 59 HE1 PHE 8 HE1 PHE 8 16.186 -8.534 -5.287 60 HE2 PHE 8 HE2 PHE 8 13.957 -7.394 -8.737 61 HZ PHE 8 HZ PHE 8 15.509 -8.944 -7.619 62 H LYS 9 H LYS 9 13.706 -1.837 -6.707 63 HA LYS 9 HA LYS 9 14.924 -2.917 -9.028 64 HB2 LYS 9 1HB LYS 9 13.965 -0.075 -8.750 65 HB3 LYS 9 2HB LYS 9 14.000 -1.075 -10.196 66 HG2 LYS 9 1HG LYS 9 12.179 -1.384 -7.821 67 HG3 LYS 9 2HG LYS 9 11.737 -0.866 -9.449 68 HD2 LYS 9 1HD LYS 9 12.825 -3.579 -8.698 69 HD3 LYS 9 2HD LYS 9 11.135 -3.209 -9.047 70 HE2 LYS 9 1HE LYS 9 13.448 -2.919 -10.963 71 HE3 LYS 9 2HE LYS 9 12.248 -4.211 -10.979 72 HZ1 LYS 9 3HZ LYS 9 11.366 -2.799 -12.515 73 HZ2 LYS 9 1HZ LYS 9 11.970 -1.404 -11.772 74 HZ3 LYS 9 2HZ LYS 9 10.616 -2.187 -11.128 75 H ARG 10 H ARG 10 15.993 -0.716 -6.595 76 HA ARG 10 HA ARG 10 18.117 0.410 -8.203 77 HB2 ARG 10 1HB ARG 10 17.783 0.611 -5.210 78 HB3 ARG 10 2HB ARG 10 18.700 1.681 -6.263 79 HG2 ARG 10 1HG ARG 10 15.714 1.353 -6.413 80 HG3 ARG 10 2HG ARG 10 16.523 2.597 -5.458 81 HD2 ARG 10 1HD ARG 10 17.108 2.262 -8.378 82 HD3 ARG 10 2HD ARG 10 15.709 3.187 -7.834 83 HE ARG 10 HE ARG 10 18.120 4.010 -6.545 84 HH11 ARG 10 1HH1 ARG 10 16.242 4.317 -9.460 85 HH12 ARG 10 2HH1 ARG 10 16.888 5.872 -9.868 86 HH21 ARG 10 1HH2 ARG 10 18.978 6.057 -7.071 87 HH22 ARG 10 2HH2 ARG 10 18.445 6.860 -8.508 88 H PHE 11 H PHE 11 17.970 -1.633 -5.282 89 HA PHE 11 HA PHE 11 20.687 -2.209 -5.109 90 HB2 PHE 11 1HB PHE 11 18.244 -3.739 -4.234 91 HB3 PHE 11 2HB PHE 11 19.871 -4.332 -3.920 92 HD1 PHE 11 HD1 PHE 11 17.662 -1.396 -3.382 93 HD2 PHE 11 HD2 PHE 11 21.037 -3.618 -2.045 94 HE1 PHE 11 HE1 PHE 11 17.772 -0.005 -1.355 95 HE2 PHE 11 HE2 PHE 11 21.152 -2.231 -0.017 96 HZ PHE 11 HZ PHE 11 19.518 -0.422 0.331 97 H ASP 12 H ASP 12 18.207 -3.573 -7.149 98 HA ASP 12 HA ASP 12 19.960 -5.710 -8.066 99 HB2 ASP 12 1HB ASP 12 17.614 -6.262 -7.722 100 HB3 ASP 12 2HB ASP 12 17.124 -4.987 -8.833 101 H THR 13 H THR 13 21.379 -3.735 -8.752 102 HA THR 13 HA THR 13 20.762 -2.181 -10.980 103 HB THR 13 HB THR 13 23.427 -3.212 -10.006 104 HG1 THR 13 HG1 THR 13 21.934 -0.828 -9.677 105 HG21 THR 13 3HG2 THR 13 22.849 -1.173 -12.157 106 HG22 THR 13 1HG2 THR 13 23.643 -2.733 -12.374 107 HG23 THR 13 2HG2 THR 13 24.433 -1.463 -11.439 108 H ASN 14 H ASN 14 21.490 -5.534 -10.755 109 HA ASN 14 HA ASN 14 22.287 -5.822 -13.517 110 HB2 ASN 14 1HB ASN 14 23.296 -7.375 -12.038 111 HB3 ASN 14 2HB ASN 14 21.756 -7.780 -11.287 112 HD21 ASN 14 2HD2 ASN 14 22.321 -7.450 -14.730 113 HD22 ASN 14 1HD2 ASN 14 22.054 -9.111 -15.124 114 H GLY 15 H GLY 15 19.367 -5.522 -11.863 115 HA2 GLY 15 1HA GLY 15 17.172 -5.939 -12.417 116 HA3 GLY 15 2HA GLY 15 17.716 -5.590 -14.051 117 H ASP 16 H ASP 16 18.481 -8.318 -11.910 118 HA ASP 16 HA ASP 16 17.343 -10.108 -13.957 119 HB2 ASP 16 1HB ASP 16 19.225 -11.332 -13.970 120 HB3 ASP 16 2HB ASP 16 19.979 -9.989 -13.116 121 H GLY 17 H GLY 17 17.164 -9.043 -10.760 122 HA2 GLY 17 1HA GLY 17 15.241 -9.690 -9.449 123 HA3 GLY 17 2HA GLY 17 15.404 -11.314 -10.101 124 H LYS 18 H LYS 18 18.350 -9.838 -9.243 125 HA LYS 18 HA LYS 18 18.330 -10.783 -6.503 126 HB2 LYS 18 1HB LYS 18 20.395 -11.924 -8.376 127 HB3 LYS 18 2HB LYS 18 20.047 -12.402 -6.720 128 HG2 LYS 18 1HG LYS 18 17.874 -13.280 -7.441 129 HG3 LYS 18 2HG LYS 18 18.255 -12.828 -9.104 130 HD2 LYS 18 1HD LYS 18 20.331 -14.433 -7.814 131 HD3 LYS 18 2HD LYS 18 18.779 -15.261 -7.954 132 HE2 LYS 18 1HE LYS 18 18.929 -14.234 -10.414 133 HE3 LYS 18 2HE LYS 18 20.653 -14.348 -10.062 134 HZ1 LYS 18 3HZ LYS 18 20.373 -16.426 -10.829 135 HZ2 LYS 18 1HZ LYS 18 18.711 -16.455 -10.512 136 HZ3 LYS 18 2HZ LYS 18 19.815 -16.746 -9.265 137 H ILE 19 H ILE 19 20.362 -10.260 -5.370 138 HA ILE 19 HA ILE 19 21.725 -7.965 -6.622 139 HB ILE 19 HB ILE 19 21.509 -8.238 -3.650 140 HG12 ILE 19 1HG1 ILE 19 19.210 -8.435 -4.356 141 HG13 ILE 19 2HG1 ILE 19 19.463 -6.802 -3.749 142 HG21 ILE 19 1HG2 ILE 19 22.174 -6.138 -5.628 143 HG22 ILE 19 2HG2 ILE 19 21.347 -5.626 -4.157 144 HG23 ILE 19 3HG2 ILE 19 22.887 -6.480 -4.051 145 HD11 ILE 19 3HD1 ILE 19 19.982 -6.805 -6.538 146 HD12 ILE 19 1HD1 ILE 19 18.441 -7.613 -6.251 147 HD13 ILE 19 2HD1 ILE 19 18.705 -5.976 -5.648 148 H SER 20 H SER 20 23.804 -8.301 -6.999 149 HA SER 20 HA SER 20 25.215 -10.355 -5.442 150 HB2 SER 20 1HB SER 20 25.045 -10.060 -8.155 151 HB3 SER 20 2HB SER 20 26.565 -9.236 -7.810 152 HG SER 20 HG SER 20 27.456 -11.092 -7.393 153 H LEU 21 H LEU 21 27.815 -9.653 -5.867 154 HA LEU 21 HA LEU 21 28.194 -7.606 -3.925 155 HB2 LEU 21 1HB LEU 21 30.380 -8.627 -5.692 156 HB3 LEU 21 2HB LEU 21 30.456 -8.132 -4.002 157 HG LEU 21 HG LEU 21 29.327 -10.699 -5.109 158 HD11 LEU 21 1HD1 LEU 21 31.251 -11.655 -4.518 159 HD12 LEU 21 2HD1 LEU 21 31.301 -10.802 -2.975 160 HD13 LEU 21 3HD1 LEU 21 31.906 -10.019 -4.435 161 HD21 LEU 21 3HD2 LEU 21 27.997 -10.809 -3.336 162 HD22 LEU 21 1HD2 LEU 21 28.618 -9.277 -2.722 163 HD23 LEU 21 2HD2 LEU 21 29.429 -10.787 -2.306 164 H SER 22 H SER 22 28.018 -7.652 -7.363 165 HA SER 22 HA SER 22 29.419 -5.153 -7.731 166 HB2 SER 22 1HB SER 22 28.761 -7.289 -9.392 167 HB3 SER 22 2HB SER 22 27.736 -5.972 -9.961 168 HG SER 22 HG SER 22 30.445 -5.469 -9.446 169 H GLU 23 H GLU 23 26.103 -6.266 -7.481 170 HA GLU 23 HA GLU 23 25.016 -3.668 -8.163 171 HB2 GLU 23 1HB GLU 23 23.528 -6.036 -7.030 172 HB3 GLU 23 2HB GLU 23 22.860 -4.675 -7.920 173 HG2 GLU 23 1HG GLU 23 23.759 -5.422 -9.954 174 HG3 GLU 23 2HG GLU 23 24.840 -6.560 -9.151 175 H LEU 24 H LEU 24 24.900 -5.786 -5.294 176 HA LEU 24 HA LEU 24 23.666 -4.112 -3.516 177 HB2 LEU 24 1HB LEU 24 24.610 -6.519 -3.249 178 HB3 LEU 24 2HB LEU 24 26.046 -5.697 -2.641 179 HG LEU 24 HG LEU 24 23.389 -5.077 -1.429 180 HD11 LEU 24 1HD1 LEU 24 24.906 -7.221 -0.127 181 HD12 LEU 24 2HD1 LEU 24 24.127 -7.679 -1.641 182 HD13 LEU 24 3HD1 LEU 24 23.166 -7.013 -0.321 183 HD21 LEU 24 3HD2 LEU 24 25.785 -4.031 -0.982 184 HD22 LEU 24 1HD2 LEU 24 25.918 -5.432 0.081 185 HD23 LEU 24 2HD2 LEU 24 24.611 -4.271 0.314 186 H THR 25 H THR 25 27.170 -4.293 -4.127 187 HA THR 25 HA THR 25 28.046 -2.362 -2.369 188 HB THR 25 HB THR 25 29.536 -3.787 -3.758 189 HG1 THR 25 HG1 THR 25 30.679 -2.183 -2.862 190 HG21 THR 25 3HG2 THR 25 28.165 -3.126 -5.892 191 HG22 THR 25 1HG2 THR 25 29.893 -3.457 -6.014 192 HG23 THR 25 2HG2 THR 25 29.315 -1.792 -5.970 193 H ASP 26 H ASP 26 26.645 -1.938 -5.579 194 HA ASP 26 HA ASP 26 27.168 0.765 -5.965 195 HB2 ASP 26 1HB ASP 26 25.681 -1.214 -7.265 196 HB3 ASP 26 2HB ASP 26 24.515 0.054 -6.896 197 H ALA 27 H ALA 27 24.923 -0.793 -3.839 198 HA ALA 27 HA ALA 27 23.382 1.615 -3.359 199 HB1 ALA 27 1HB ALA 27 22.957 -1.148 -2.991 200 HB2 ALA 27 2HB ALA 27 22.893 -0.397 -1.395 201 HB3 ALA 27 3HB ALA 27 21.835 0.178 -2.684 202 H LEU 28 H LEU 28 25.335 -0.552 -1.298 203 HA LEU 28 HA LEU 28 25.443 1.134 0.923 204 HB2 LEU 28 1HB LEU 28 27.649 -0.742 0.120 205 HB3 LEU 28 2HB LEU 28 27.175 -0.253 1.745 206 HG LEU 28 HG LEU 28 25.735 -2.141 -0.108 207 HD11 LEU 28 1HD1 LEU 28 26.024 -3.245 2.415 208 HD12 LEU 28 2HD1 LEU 28 27.553 -2.415 2.128 209 HD13 LEU 28 3HD1 LEU 28 26.979 -3.626 0.982 210 HD21 LEU 28 3HD2 LEU 28 23.931 -1.038 0.812 211 HD22 LEU 28 1HD2 LEU 28 24.779 -0.681 2.317 212 HD23 LEU 28 2HD2 LEU 28 24.206 -2.318 1.995 213 H ARG 29 H ARG 29 27.069 1.326 -2.090 214 HA ARG 29 HA ARG 29 29.180 3.052 -1.080 215 HB2 ARG 29 1HB ARG 29 30.136 2.938 -3.229 216 HB3 ARG 29 2HB ARG 29 29.475 1.333 -2.945 217 HG2 ARG 29 1HG ARG 29 28.696 1.645 -5.042 218 HG3 ARG 29 2HG ARG 29 27.375 2.421 -4.165 219 HD2 ARG 29 1HD ARG 29 27.773 4.219 -5.423 220 HD3 ARG 29 2HD ARG 29 29.232 4.441 -4.458 221 HE ARG 29 HE ARG 29 30.057 2.742 -6.372 222 HH11 ARG 29 1HH1 ARG 29 28.315 5.753 -6.496 223 HH12 ARG 29 2HH1 ARG 29 28.945 6.204 -8.046 224 HH21 ARG 29 1HH2 ARG 29 30.894 3.324 -8.412 225 HH22 ARG 29 2HH2 ARG 29 30.411 4.821 -9.135 226 H THR 30 H THR 30 26.047 3.304 -2.474 227 HA THR 30 HA THR 30 26.414 6.062 -3.317 228 HB THR 30 HB THR 30 23.988 4.260 -3.365 229 HG1 THR 30 HG1 THR 30 25.215 5.363 -5.638 230 HG21 THR 30 3HG2 THR 30 23.293 6.584 -3.058 231 HG22 THR 30 1HG2 THR 30 22.903 6.022 -4.683 232 HG23 THR 30 2HG2 THR 30 24.296 7.073 -4.424 233 H LEU 31 H LEU 31 25.045 4.255 -0.664 234 HA LEU 31 HA LEU 31 24.064 6.755 0.537 235 HB2 LEU 31 1HB LEU 31 23.412 4.101 1.701 236 HB3 LEU 31 2HB LEU 31 22.454 5.579 1.657 237 HG LEU 31 HG LEU 31 22.808 3.529 -0.517 238 HD11 LEU 31 1HD1 LEU 31 20.464 3.243 -0.340 239 HD12 LEU 31 2HD1 LEU 31 20.298 4.659 0.696 240 HD13 LEU 31 3HD1 LEU 31 21.100 3.212 1.304 241 HD21 LEU 31 3HD2 LEU 31 21.018 5.710 -1.157 242 HD22 LEU 31 1HD2 LEU 31 22.323 5.003 -2.111 243 HD23 LEU 31 2HD2 LEU 31 22.676 6.271 -0.936 244 H GLY 32 H GLY 32 26.410 4.259 0.799 245 HA2 GLY 32 1HA GLY 32 27.238 5.344 3.421 246 HA3 GLY 32 2HA GLY 32 27.388 3.641 3.012 247 H SER 33 H SER 33 28.174 4.456 0.209 248 HA SER 33 HA SER 33 30.064 4.899 -0.986 249 HB2 SER 33 1HB SER 33 29.982 6.996 0.643 250 HB3 SER 33 2HB SER 33 31.418 6.228 1.320 251 HG SER 33 HG SER 33 32.102 6.139 -1.009 252 H THR 34 H THR 34 29.743 2.528 0.665 253 HA THR 34 HA THR 34 32.421 1.919 1.625 254 HB THR 34 HB THR 34 30.201 1.161 2.735 255 HG1 THR 34 HG1 THR 34 32.571 0.329 2.929 256 HG21 THR 34 3HG2 THR 34 29.508 0.131 0.433 257 HG22 THR 34 1HG2 THR 34 29.110 -0.712 1.929 258 HG23 THR 34 2HG2 THR 34 30.492 -1.231 0.965 259 H SER 35 H SER 35 32.794 -0.679 1.052 260 HA SER 35 HA SER 35 32.838 -0.787 -1.893 261 HB2 SER 35 1HB SER 35 34.987 -1.862 -0.053 262 HB3 SER 35 2HB SER 35 35.032 -1.799 -1.815 263 HG SER 35 HG SER 35 36.008 0.035 -1.440 264 H ALA 36 H ALA 36 33.655 -3.227 -2.437 265 HA ALA 36 HA ALA 36 31.436 -4.868 -1.780 266 HB1 ALA 36 1HB ALA 36 33.746 -6.285 -2.852 267 HB2 ALA 36 2HB ALA 36 32.118 -6.108 -3.508 268 HB3 ALA 36 3HB ALA 36 33.319 -4.845 -3.776 269 H ASP 37 H ASP 37 34.584 -4.444 -0.402 270 HA ASP 37 HA ASP 37 35.075 -6.845 0.845 271 HB2 ASP 37 1HB ASP 37 35.655 -4.003 1.585 272 HB3 ASP 37 2HB ASP 37 36.018 -5.282 2.740 273 H GLU 38 H GLU 38 32.723 -4.396 1.674 274 HA GLU 38 HA GLU 38 31.982 -5.860 4.102 275 HB2 GLU 38 1HB GLU 38 30.729 -3.282 3.203 276 HB3 GLU 38 2HB GLU 38 30.864 -3.932 4.831 277 HG2 GLU 38 1HG GLU 38 33.149 -2.891 3.172 278 HG3 GLU 38 2HG GLU 38 32.339 -2.018 4.471 279 H VAL 39 H VAL 39 30.952 -5.234 0.872 280 HA VAL 39 HA VAL 39 28.194 -5.710 1.112 281 HB VAL 39 HB VAL 39 30.086 -6.127 -1.197 282 HG11 VAL 39 1HG1 VAL 39 27.112 -6.540 -1.055 283 HG12 VAL 39 2HG1 VAL 39 27.953 -6.209 -2.571 284 HG13 VAL 39 3HG1 VAL 39 28.346 -7.655 -1.640 285 HG21 VAL 39 3HG2 VAL 39 29.643 -4.003 -1.779 286 HG22 VAL 39 1HG2 VAL 39 27.938 -4.137 -1.350 287 HG23 VAL 39 2HG2 VAL 39 29.140 -3.823 -0.098 288 H GLN 40 H GLN 40 30.729 -7.960 -0.011 289 HA GLN 40 HA GLN 40 29.197 -10.247 -0.164 290 HB2 GLN 40 1HB GLN 40 31.396 -11.456 0.360 291 HB3 GLN 40 2HB GLN 40 31.370 -10.389 -1.038 292 HG2 GLN 40 1HG GLN 40 32.742 -8.847 -0.066 293 HG3 GLN 40 2HG GLN 40 32.244 -9.272 1.571 294 HE21 GLN 40 2HE2 GLN 40 32.685 -11.913 1.714 295 HE22 GLN 40 1HE2 GLN 40 34.360 -12.270 1.492 296 H ARG 41 H ARG 41 30.386 -8.607 2.647 297 HA ARG 41 HA ARG 41 29.907 -10.842 4.421 298 HB2 ARG 41 1HB ARG 41 30.419 -7.982 5.227 299 HB3 ARG 41 2HB ARG 41 30.708 -9.441 6.166 300 HG2 ARG 41 1HG ARG 41 32.517 -10.075 4.699 301 HG3 ARG 41 2HG ARG 41 32.190 -8.689 3.656 302 HD2 ARG 41 1HD ARG 41 33.034 -7.178 5.174 303 HD3 ARG 41 2HD ARG 41 32.733 -8.236 6.552 304 HE ARG 41 HE ARG 41 34.637 -9.540 5.101 305 HH11 ARG 41 1HH1 ARG 41 34.363 -6.364 6.499 306 HH12 ARG 41 2HH1 ARG 41 36.066 -6.192 6.768 307 HH21 ARG 41 1HH2 ARG 41 36.881 -9.327 5.449 308 HH22 ARG 41 2HH2 ARG 41 37.498 -7.878 6.169 309 H MET 42 H MET 42 28.311 -7.867 3.458 310 HA MET 42 HA MET 42 26.291 -7.961 5.470 311 HB2 MET 42 1HB MET 42 26.783 -5.845 4.467 312 HB3 MET 42 2HB MET 42 26.493 -6.476 2.851 313 HG2 MET 42 1HG MET 42 24.279 -6.186 2.996 314 HG3 MET 42 2HG MET 42 24.217 -6.715 4.675 315 HE1 MET 42 3HE MET 42 26.415 -4.506 5.992 316 HE2 MET 42 1HE MET 42 25.104 -3.539 6.667 317 HE3 MET 42 2HE MET 42 24.983 -5.298 6.651 318 H MET 43 H MET 43 26.487 -9.014 2.098 319 HA MET 43 HA MET 43 23.763 -9.925 2.031 320 HB2 MET 43 1HB MET 43 24.461 -10.943 -0.157 321 HB3 MET 43 2HB MET 43 24.714 -9.207 -0.039 322 HG2 MET 43 1HG MET 43 26.828 -9.491 -0.601 323 HG3 MET 43 2HG MET 43 27.079 -10.443 0.861 324 HE1 MET 43 3HE MET 43 24.648 -11.606 -2.098 325 HE2 MET 43 1HE MET 43 25.836 -10.504 -2.795 326 HE3 MET 43 2HE MET 43 25.868 -12.216 -3.218 327 H ALA 44 H ALA 44 26.846 -11.275 2.867 328 HA ALA 44 HA ALA 44 26.364 -13.997 2.527 329 HB1 ALA 44 1HB ALA 44 28.218 -12.357 4.103 330 HB2 ALA 44 2HB ALA 44 27.920 -13.970 4.750 331 HB3 ALA 44 3HB ALA 44 28.523 -13.778 3.104 332 H GLU 45 H GLU 45 25.245 -11.786 4.982 333 HA GLU 45 HA GLU 45 24.194 -13.963 6.615 334 HB2 GLU 45 1HB GLU 45 23.472 -12.093 8.132 335 HB3 GLU 45 2HB GLU 45 25.207 -12.213 7.879 336 HG2 GLU 45 1HG GLU 45 25.094 -10.399 6.245 337 HG3 GLU 45 2HG GLU 45 23.356 -10.273 6.512 338 H ILE 46 H ILE 46 23.116 -11.399 4.483 339 HA ILE 46 HA ILE 46 20.347 -11.609 5.078 340 HB ILE 46 HB ILE 46 21.739 -10.541 2.620 341 HG12 ILE 46 1HG1 ILE 46 20.446 -9.047 4.908 342 HG13 ILE 46 2HG1 ILE 46 22.170 -9.395 4.823 343 HG21 ILE 46 1HG2 ILE 46 19.585 -9.406 2.160 344 HG22 ILE 46 2HG2 ILE 46 19.489 -11.162 2.033 345 HG23 ILE 46 3HG2 ILE 46 18.850 -10.344 3.459 346 HD11 ILE 46 3HD1 ILE 46 20.638 -7.806 2.779 347 HD12 ILE 46 1HD1 ILE 46 21.593 -7.117 4.092 348 HD13 ILE 46 2HD1 ILE 46 22.381 -8.065 2.831 349 H ASP 47 H ASP 47 22.463 -13.154 2.723 350 HA ASP 47 HA ASP 47 20.547 -14.351 1.094 351 HB2 ASP 47 1HB ASP 47 23.323 -14.408 1.306 352 HB3 ASP 47 2HB ASP 47 22.839 -16.083 1.559 353 H THR 48 H THR 48 18.886 -15.529 1.784 354 HA THR 48 HA THR 48 18.911 -17.023 4.209 355 HB THR 48 HB THR 48 16.930 -17.109 1.925 356 HG1 THR 48 HG1 THR 48 17.237 -15.476 4.197 357 HG21 THR 48 3HG2 THR 48 15.532 -17.768 4.149 358 HG22 THR 48 1HG2 THR 48 17.088 -18.514 4.511 359 HG23 THR 48 2HG2 THR 48 16.225 -18.947 3.035 360 H ASP 49 H ASP 49 19.603 -17.762 0.884 361 HA ASP 49 HA ASP 49 19.894 -20.608 1.587 362 HB2 ASP 49 1HB ASP 49 19.967 -20.610 -1.128 363 HB3 ASP 49 2HB ASP 49 18.500 -20.846 -0.181 364 H GLY 50 H GLY 50 21.549 -17.769 0.793 365 HA2 GLY 50 1HA GLY 50 23.745 -17.310 0.302 366 HA3 GLY 50 2HA GLY 50 24.093 -18.830 1.113 367 H ASP 51 H ASP 51 23.197 -17.415 -2.002 368 HA ASP 51 HA ASP 51 24.608 -19.645 -3.310 369 HB2 ASP 51 1HB ASP 51 22.995 -19.826 -4.981 370 HB3 ASP 51 2HB ASP 51 22.019 -19.545 -3.542 371 H GLY 52 H GLY 52 25.252 -16.760 -2.476 372 HA2 GLY 52 1HA GLY 52 26.874 -15.327 -3.342 373 HA3 GLY 52 2HA GLY 52 26.719 -16.132 -4.897 374 H PHE 53 H PHE 53 23.679 -15.377 -3.778 375 HA PHE 53 HA PHE 53 23.655 -12.655 -4.809 376 HB2 PHE 53 1HB PHE 53 22.108 -14.925 -6.065 377 HB3 PHE 53 2HB PHE 53 21.726 -13.228 -6.335 378 HD1 PHE 53 HD2 PHE 53 24.162 -15.897 -6.945 379 HD2 PHE 53 HD1 PHE 53 23.106 -11.848 -7.725 380 HE1 PHE 53 HE2 PHE 53 25.815 -15.820 -8.766 381 HE2 PHE 53 HE1 PHE 53 24.757 -11.765 -9.548 382 HZ PHE 53 HZ PHE 53 26.114 -13.752 -10.070 383 H ILE 54 H ILE 54 21.866 -11.441 -4.156 384 HA ILE 54 HA ILE 54 20.331 -12.662 -1.970 385 HB ILE 54 HB ILE 54 20.966 -9.778 -2.581 386 HG12 ILE 54 1HG1 ILE 54 22.753 -11.082 -1.500 387 HG13 ILE 54 2HG1 ILE 54 22.111 -9.851 -0.418 388 HG21 ILE 54 1HG2 ILE 54 19.762 -9.845 -0.098 389 HG22 ILE 54 2HG2 ILE 54 19.037 -9.257 -1.593 390 HG23 ILE 54 3HG2 ILE 54 18.762 -10.920 -1.075 391 HD11 ILE 54 3HD1 ILE 54 22.330 -11.713 0.936 392 HD12 ILE 54 1HD1 ILE 54 20.624 -11.735 0.493 393 HD13 ILE 54 2HD1 ILE 54 21.760 -12.815 -0.316 394 H ASP 55 H ASP 55 18.472 -13.465 -2.740 395 HA ASP 55 HA ASP 55 17.070 -12.454 -4.974 396 HB2 ASP 55 1HB ASP 55 15.852 -14.099 -2.758 397 HB3 ASP 55 2HB ASP 55 15.379 -14.047 -4.454 398 H PHE 56 H PHE 56 14.456 -12.220 -4.343 399 HA PHE 56 HA PHE 56 14.377 -9.595 -3.135 400 HB2 PHE 56 1HB PHE 56 13.100 -10.315 -5.232 401 HB3 PHE 56 2HB PHE 56 12.010 -11.166 -4.143 402 HD1 PHE 56 HD1 PHE 56 11.144 -9.663 -2.122 403 HD2 PHE 56 HD2 PHE 56 12.520 -8.195 -5.872 404 HE1 PHE 56 HE1 PHE 56 9.870 -7.587 -1.773 405 HE2 PHE 56 HE2 PHE 56 11.249 -6.117 -5.529 406 HZ PHE 56 HZ PHE 56 9.922 -5.810 -3.477 407 H ASN 57 H ASN 57 13.121 -12.823 -2.447 408 HA ASN 57 HA ASN 57 11.508 -12.179 -0.255 409 HB2 ASN 57 1HB ASN 57 12.702 -14.611 -1.386 410 HB3 ASN 57 2HB ASN 57 12.445 -14.689 0.354 411 HD21 ASN 57 2HD2 ASN 57 10.808 -13.821 -2.659 412 HD22 ASN 57 1HD2 ASN 57 9.245 -14.374 -2.174 413 H GLU 58 H GLU 58 14.743 -13.682 -0.106 414 HA GLU 58 HA GLU 58 15.177 -13.353 2.601 415 HB2 GLU 58 1HB GLU 58 17.636 -13.381 1.994 416 HB3 GLU 58 2HB GLU 58 16.680 -14.726 1.389 417 HG2 GLU 58 1HG GLU 58 16.464 -13.172 -0.728 418 HG3 GLU 58 2HG GLU 58 17.956 -12.489 -0.084 419 H PHE 59 H PHE 59 15.490 -11.029 0.015 420 HA PHE 59 HA PHE 59 17.066 -9.086 1.198 421 HB2 PHE 59 1HB PHE 59 16.040 -9.158 -1.167 422 HB3 PHE 59 2HB PHE 59 14.637 -8.385 -0.436 423 HD1 PHE 59 HD1 PHE 59 18.343 -7.950 -0.250 424 HD2 PHE 59 HD2 PHE 59 14.534 -6.132 -0.801 425 HE1 PHE 59 HE1 PHE 59 19.430 -5.757 -0.500 426 HE2 PHE 59 HE2 PHE 59 15.615 -3.936 -1.053 427 HZ PHE 59 HZ PHE 59 18.066 -3.746 -0.903 428 H ILE 60 H ILE 60 13.596 -9.663 1.560 429 HA ILE 60 HA ILE 60 13.278 -7.426 3.365 430 HB ILE 60 HB ILE 60 11.226 -9.580 2.981 431 HG12 ILE 60 1HG1 ILE 60 11.833 -7.304 1.083 432 HG13 ILE 60 2HG1 ILE 60 11.978 -9.023 0.733 433 HG21 ILE 60 1HG2 ILE 60 10.931 -7.739 4.650 434 HG22 ILE 60 2HG2 ILE 60 10.916 -6.603 3.302 435 HG23 ILE 60 3HG2 ILE 60 9.662 -7.837 3.429 436 HD11 ILE 60 3HD1 ILE 60 9.905 -8.994 -0.022 437 HD12 ILE 60 1HD1 ILE 60 9.343 -8.610 1.605 438 HD13 ILE 60 2HD1 ILE 60 9.713 -7.312 0.470 439 H SER 61 H SER 61 13.783 -10.865 3.565 440 HA SER 61 HA SER 61 12.885 -11.430 6.121 441 HB2 SER 61 1HB SER 61 13.638 -13.232 4.749 442 HB3 SER 61 2HB SER 61 15.244 -12.521 4.580 443 HG SER 61 HG SER 61 15.781 -13.226 6.521 444 H PHE 62 H PHE 62 16.060 -10.185 5.126 445 HA PHE 62 HA PHE 62 16.879 -9.861 7.890 446 HB2 PHE 62 1HB PHE 62 18.215 -10.158 5.408 447 HB3 PHE 62 2HB PHE 62 18.671 -8.585 6.055 448 HD1 PHE 62 HD1 PHE 62 18.177 -12.058 7.336 449 HD2 PHE 62 HD2 PHE 62 20.576 -8.543 7.317 450 HE1 PHE 62 HE1 PHE 62 19.785 -13.152 8.844 451 HE2 PHE 62 HE2 PHE 62 22.188 -9.631 8.824 452 HZ PHE 62 HZ PHE 62 21.794 -11.938 9.589 453 H CYS 63 H CYS 63 16.260 -7.774 5.081 454 HA CYS 63 HA CYS 63 16.790 -5.310 6.186 455 HB2 CYS 63 1HB CYS 63 16.267 -5.490 3.851 456 HB3 CYS 63 2HB CYS 63 14.659 -6.112 4.201 457 HG CYS 63 HG CYS 63 13.480 -3.814 4.760 458 H ASN 64 H ASN 64 13.910 -7.303 6.546 459 HA ASN 64 HA ASN 64 12.207 -5.460 7.747 460 HB2 ASN 64 1HB ASN 64 11.472 -7.684 7.019 461 HB3 ASN 64 2HB ASN 64 12.434 -8.428 8.293 462 HD21 ASN 64 2HD2 ASN 64 10.348 -5.572 8.340 463 HD22 ASN 64 1HD2 ASN 64 9.282 -6.156 9.568 464 H ALA 65 H ALA 65 14.877 -7.289 9.082 465 HA ALA 65 HA ALA 65 14.289 -6.741 11.819 466 HB1 ALA 65 1HB ALA 65 16.237 -8.234 10.354 467 HB2 ALA 65 2HB ALA 65 17.051 -7.222 11.548 468 HB3 ALA 65 3HB ALA 65 15.795 -8.351 12.057 469 H ASN 66 H ASN 66 15.611 -4.893 9.285 470 HA ASN 66 HA ASN 66 16.778 -2.983 11.198 471 HB2 ASN 66 1HB ASN 66 17.400 -3.545 8.303 472 HB3 ASN 66 2HB ASN 66 17.915 -2.056 9.091 473 HD21 ASN 66 2HD2 ASN 66 17.820 -5.485 10.009 474 HD22 ASN 66 1HD2 ASN 66 19.473 -5.571 10.504 475 HA PRO 67 HA PRO 67 12.897 -1.001 9.666 476 HB2 PRO 67 1HB PRO 67 12.259 0.106 12.062 477 HB3 PRO 67 2HB PRO 67 11.809 -1.545 11.615 478 HG2 PRO 67 1HG PRO 67 14.089 -0.594 13.307 479 HG3 PRO 67 2HG PRO 67 12.993 -1.962 13.573 480 HD2 PRO 67 1HD PRO 67 15.491 -2.270 12.574 481 HD3 PRO 67 2HD PRO 67 14.142 -3.329 12.115 482 H GLY 68 H GLY 68 15.708 0.124 11.401 483 HA2 GLY 68 1HA GLY 68 15.126 2.924 11.010 484 HA3 GLY 68 2HA GLY 68 16.615 2.245 11.651 485 H LEU 69 H LEU 69 16.549 0.443 9.134 486 HA LEU 69 HA LEU 69 18.094 2.299 7.504 487 HB2 LEU 69 1HB LEU 69 19.005 0.081 8.091 488 HB3 LEU 69 2HB LEU 69 17.686 -0.673 7.198 489 HG LEU 69 HG LEU 69 19.648 1.183 5.878 490 HD11 LEU 69 1HD1 LEU 69 20.048 -1.563 6.811 491 HD12 LEU 69 2HD1 LEU 69 21.225 -0.341 6.328 492 HD13 LEU 69 3HD1 LEU 69 20.409 -1.312 5.103 493 HD21 LEU 69 3HD2 LEU 69 18.811 -0.737 4.098 494 HD22 LEU 69 1HD2 LEU 69 18.168 0.900 4.230 495 HD23 LEU 69 2HD2 LEU 69 17.365 -0.432 5.061 496 H MET 70 H MET 70 15.413 -0.006 7.081 497 HA MET 70 HA MET 70 14.845 0.471 4.417 498 HB2 MET 70 1HB MET 70 12.504 -0.216 4.990 499 HB3 MET 70 2HB MET 70 13.746 -1.320 5.564 500 HG2 MET 70 1HG MET 70 13.560 -0.430 7.799 501 HG3 MET 70 2HG MET 70 12.403 0.779 7.249 502 HE1 MET 70 3HE MET 70 11.556 -3.623 6.613 503 HE2 MET 70 1HE MET 70 13.105 -2.788 6.488 504 HE3 MET 70 2HE MET 70 12.543 -3.374 8.053 505 H LYS 71 H LYS 71 14.317 2.500 7.158 506 HA LYS 71 HA LYS 71 12.358 4.185 5.877 507 HB2 LYS 71 1HB LYS 71 13.895 4.351 8.460 508 HB3 LYS 71 2HB LYS 71 12.898 5.687 7.897 509 HG2 LYS 71 1HG LYS 71 10.975 4.075 7.797 510 HG3 LYS 71 2HG LYS 71 12.011 2.908 8.622 511 HD2 LYS 71 1HD LYS 71 11.853 5.586 9.850 512 HD3 LYS 71 2HD LYS 71 10.372 4.627 9.900 513 HE2 LYS 71 1HE LYS 71 11.660 2.764 10.893 514 HE3 LYS 71 2HE LYS 71 13.090 3.795 10.913 515 HZ1 LYS 71 3HZ LYS 71 11.734 3.633 13.037 516 HZ2 LYS 71 1HZ LYS 71 10.584 4.600 12.259 517 HZ3 LYS 71 2HZ LYS 71 12.150 5.186 12.512 518 H ASP 72 H ASP 72 15.819 4.090 6.230 519 HA ASP 72 HA ASP 72 16.162 6.803 5.253 520 HB2 ASP 72 1HB ASP 72 17.765 4.916 6.692 521 HB3 ASP 72 2HB ASP 72 18.629 5.399 5.234 522 H VAL 73 H VAL 73 16.535 3.495 4.104 523 HA VAL 73 HA VAL 73 17.735 4.193 1.614 524 HB VAL 73 HB VAL 73 18.020 1.957 2.517 525 HG11 VAL 73 1HG1 VAL 73 15.282 1.076 1.869 526 HG12 VAL 73 2HG1 VAL 73 16.359 0.577 3.175 527 HG13 VAL 73 3HG1 VAL 73 15.450 2.082 3.308 528 HG21 VAL 73 3HG2 VAL 73 18.191 2.179 0.120 529 HG22 VAL 73 1HG2 VAL 73 17.416 0.643 0.507 530 HG23 VAL 73 2HG2 VAL 73 16.445 2.003 -0.056 531 H ALA 74 H ALA 74 14.430 3.661 2.704 532 HA ALA 74 HA ALA 74 13.290 3.783 0.077 533 HB1 ALA 74 1HB ALA 74 11.765 4.257 2.615 534 HB2 ALA 74 2HB ALA 74 11.213 3.526 1.107 535 HB3 ALA 74 3HB ALA 74 12.319 2.645 2.161 536 H LYS 75 H LYS 75 14.821 6.086 1.729 537 HA LYS 75 HA LYS 75 12.927 8.250 1.239 538 HB2 LYS 75 1HB LYS 75 14.115 9.489 2.731 539 HB3 LYS 75 2HB LYS 75 14.638 7.899 3.272 540 HG2 LYS 75 1HG LYS 75 16.584 8.195 1.631 541 HG3 LYS 75 2HG LYS 75 16.124 9.899 1.611 542 HD2 LYS 75 1HD LYS 75 16.453 10.064 3.993 543 HD3 LYS 75 2HD LYS 75 16.756 8.329 4.109 544 HE2 LYS 75 1HE LYS 75 18.470 9.778 2.209 545 HE3 LYS 75 2HE LYS 75 18.690 10.220 3.901 546 HZ1 LYS 75 3HZ LYS 75 20.033 8.267 2.890 547 HZ2 LYS 75 1HZ LYS 75 18.616 7.379 3.147 548 HZ3 LYS 75 2HZ LYS 75 19.397 8.122 4.451 549 H VAL 76 H VAL 76 15.862 6.886 -0.051 550 HA VAL 76 HA VAL 76 15.787 8.891 -2.208 551 HB VAL 76 HB VAL 76 17.736 9.277 -0.734 552 HG11 VAL 76 1HG1 VAL 76 19.156 6.883 -1.678 553 HG12 VAL 76 2HG1 VAL 76 19.194 7.682 -0.105 554 HG13 VAL 76 3HG1 VAL 76 17.874 6.581 -0.505 555 HG21 VAL 76 3HG2 VAL 76 19.368 8.542 -2.874 556 HG22 VAL 76 1HG2 VAL 76 17.777 8.822 -3.582 557 HG23 VAL 76 2HG2 VAL 76 18.557 10.090 -2.637 558 H PHE 77 H PHE 77 16.394 5.581 -1.236 559 HA PHE 77 HA PHE 77 16.714 4.766 -4.029 560 HB2 PHE 77 1HB PHE 77 17.433 3.585 -1.403 561 HB3 PHE 77 2HB PHE 77 16.988 2.456 -2.679 562 HD1 PHE 77 HD2 PHE 77 18.706 5.682 -3.186 563 HD2 PHE 77 HD1 PHE 77 19.090 1.446 -3.028 564 HE1 PHE 77 HE2 PHE 77 20.974 5.856 -4.124 565 HE2 PHE 77 HE1 PHE 77 21.359 1.613 -3.964 566 HZ PHE 77 HZ PHE 77 22.303 3.820 -4.515 Start of MODEL 17 1 H1 ALA 1 H ALA 1 4.122 -3.473 3.691 2 HA ALA 1 HA ALA 1 2.906 -2.767 1.433 3 HB1 ALA 1 1HB ALA 1 3.953 -1.281 3.262 4 HB2 ALA 1 2HB ALA 1 5.347 -1.202 2.183 5 HB3 ALA 1 3HB ALA 1 3.774 -0.622 1.636 6 H ASP 2 H ASP 2 3.865 -1.628 -0.559 7 HA ASP 2 HA ASP 2 5.693 -3.526 -1.833 8 HB2 ASP 2 1HB ASP 2 4.271 -1.335 -3.307 9 HB3 ASP 2 2HB ASP 2 4.762 -2.927 -3.881 10 H ASP 3 H ASP 3 6.548 -1.381 0.031 11 HA ASP 3 HA ASP 3 7.827 0.652 -1.517 12 HB2 ASP 3 1HB ASP 3 8.697 -0.132 1.250 13 HB3 ASP 3 2HB ASP 3 8.674 1.465 0.508 14 H MET 4 H MET 4 8.775 -2.476 -0.235 15 HA MET 4 HA MET 4 11.554 -2.223 -0.696 16 HB2 MET 4 1HB MET 4 9.821 -4.696 -0.547 17 HB3 MET 4 2HB MET 4 11.579 -4.700 -0.525 18 HG2 MET 4 1HG MET 4 9.937 -3.223 1.507 19 HG3 MET 4 2HG MET 4 10.413 -4.908 1.703 20 HE1 MET 4 3HE MET 4 13.193 -5.542 2.529 21 HE2 MET 4 1HE MET 4 12.872 -5.453 0.797 22 HE3 MET 4 2HE MET 4 14.280 -4.638 1.475 23 H GLU 5 H GLU 5 8.884 -2.803 -2.782 24 HA GLU 5 HA GLU 5 10.216 -4.190 -4.856 25 HB2 GLU 5 1HB GLU 5 7.824 -4.217 -4.808 26 HB3 GLU 5 2HB GLU 5 7.744 -2.461 -4.843 27 HG2 GLU 5 1HG GLU 5 8.223 -2.344 -7.085 28 HG3 GLU 5 2HG GLU 5 9.042 -3.904 -7.102 29 H ARG 6 H ARG 6 9.179 -0.775 -4.766 30 HA ARG 6 HA ARG 6 10.538 0.083 -7.017 31 HB2 ARG 6 1HB ARG 6 10.524 2.357 -5.857 32 HB3 ARG 6 2HB ARG 6 8.968 1.570 -6.085 33 HG2 ARG 6 1HG ARG 6 8.914 0.883 -3.787 34 HG3 ARG 6 2HG ARG 6 10.553 1.483 -3.529 35 HD2 ARG 6 1HD ARG 6 8.078 3.092 -4.128 36 HD3 ARG 6 2HD ARG 6 9.025 3.093 -2.640 37 HE ARG 6 HE ARG 6 10.807 3.867 -4.533 38 HH11 ARG 6 1HH1 ARG 6 7.645 4.979 -3.593 39 HH12 ARG 6 2HH1 ARG 6 7.947 6.625 -4.042 40 HH21 ARG 6 1HH2 ARG 6 11.217 6.030 -5.128 41 HH22 ARG 6 2HH2 ARG 6 9.979 7.221 -4.916 42 H ILE 7 H ILE 7 11.681 -0.130 -3.676 43 HA ILE 7 HA ILE 7 14.217 1.054 -4.178 44 HB ILE 7 HB ILE 7 13.309 -0.749 -1.932 45 HG12 ILE 7 1HG1 ILE 7 13.889 2.162 -1.624 46 HG13 ILE 7 2HG1 ILE 7 12.382 1.696 -2.405 47 HG21 ILE 7 1HG2 ILE 7 15.922 0.515 -2.532 48 HG22 ILE 7 2HG2 ILE 7 15.371 0.538 -0.858 49 HG23 ILE 7 3HG2 ILE 7 15.558 -0.998 -1.704 50 HD11 ILE 7 3HD1 ILE 7 13.192 1.514 0.405 51 HD12 ILE 7 1HD1 ILE 7 11.593 1.711 -0.312 52 HD13 ILE 7 2HD1 ILE 7 12.327 0.110 -0.221 53 H PHE 8 H PHE 8 12.985 -2.230 -4.274 54 HA PHE 8 HA PHE 8 15.419 -3.612 -4.346 55 HB2 PHE 8 1HB PHE 8 13.383 -4.833 -4.004 56 HB3 PHE 8 2HB PHE 8 12.724 -4.275 -5.538 57 HD1 PHE 8 HD2 PHE 8 15.329 -6.410 -4.014 58 HD2 PHE 8 HD1 PHE 8 13.142 -5.439 -7.534 59 HE1 PHE 8 HE2 PHE 8 16.230 -8.413 -5.122 60 HE2 PHE 8 HE1 PHE 8 14.039 -7.442 -8.647 61 HZ PHE 8 HZ PHE 8 15.586 -8.931 -7.441 62 H LYS 9 H LYS 9 13.667 -1.877 -6.816 63 HA LYS 9 HA LYS 9 14.922 -2.919 -9.095 64 HB2 LYS 9 1HB LYS 9 14.013 -0.060 -8.777 65 HB3 LYS 9 2HB LYS 9 14.099 -1.003 -10.259 66 HG2 LYS 9 1HG LYS 9 12.182 -1.386 -7.971 67 HG3 LYS 9 2HG LYS 9 11.810 -0.811 -9.599 68 HD2 LYS 9 1HD LYS 9 12.849 -3.555 -8.889 69 HD3 LYS 9 2HD LYS 9 11.180 -3.161 -9.305 70 HE2 LYS 9 1HE LYS 9 13.574 -2.798 -11.105 71 HE3 LYS 9 2HE LYS 9 12.408 -4.116 -11.206 72 HZ1 LYS 9 3HZ LYS 9 10.684 -2.555 -11.736 73 HZ2 LYS 9 1HZ LYS 9 11.975 -2.316 -12.803 74 HZ3 LYS 9 2HZ LYS 9 11.729 -1.243 -11.519 75 H ARG 10 H ARG 10 16.053 -0.751 -6.661 76 HA ARG 10 HA ARG 10 18.223 0.292 -8.268 77 HB2 ARG 10 1HB ARG 10 17.892 0.547 -5.281 78 HB3 ARG 10 2HB ARG 10 18.818 1.586 -6.356 79 HG2 ARG 10 1HG ARG 10 15.823 1.307 -6.444 80 HG3 ARG 10 2HG ARG 10 16.683 2.574 -5.566 81 HD2 ARG 10 1HD ARG 10 17.375 2.181 -8.422 82 HD3 ARG 10 2HD ARG 10 15.803 2.893 -8.062 83 HE ARG 10 HE ARG 10 18.002 4.122 -6.667 84 HH11 ARG 10 1HH1 ARG 10 16.085 4.102 -9.573 85 HH12 ARG 10 2HH1 ARG 10 16.444 5.748 -9.977 86 HH21 ARG 10 1HH2 ARG 10 18.482 6.290 -7.188 87 HH22 ARG 10 2HH2 ARG 10 17.809 6.992 -8.620 88 H PHE 11 H PHE 11 17.976 -1.709 -5.325 89 HA PHE 11 HA PHE 11 20.665 -2.367 -5.093 90 HB2 PHE 11 1HB PHE 11 18.152 -3.806 -4.271 91 HB3 PHE 11 2HB PHE 11 19.743 -4.486 -3.947 92 HD1 PHE 11 HD1 PHE 11 17.664 -1.464 -3.383 93 HD2 PHE 11 HD2 PHE 11 20.941 -3.838 -2.063 94 HE1 PHE 11 HE1 PHE 11 17.822 -0.104 -1.338 95 HE2 PHE 11 HE2 PHE 11 21.103 -2.483 -0.016 96 HZ PHE 11 HZ PHE 11 19.542 -0.614 0.349 97 H ASP 12 H ASP 12 18.227 -3.616 -7.237 98 HA ASP 12 HA ASP 12 19.972 -5.787 -8.119 99 HB2 ASP 12 1HB ASP 12 17.637 -6.367 -7.775 100 HB3 ASP 12 2HB ASP 12 17.127 -5.083 -8.868 101 H THR 13 H THR 13 21.380 -3.811 -8.809 102 HA THR 13 HA THR 13 20.751 -2.255 -11.032 103 HB THR 13 HB THR 13 23.422 -3.282 -10.069 104 HG1 THR 13 HG1 THR 13 21.962 -0.864 -9.773 105 HG21 THR 13 3HG2 THR 13 22.837 -1.242 -12.217 106 HG22 THR 13 1HG2 THR 13 23.624 -2.803 -12.439 107 HG23 THR 13 2HG2 THR 13 24.424 -1.537 -11.507 108 H ASN 14 H ASN 14 21.494 -5.607 -10.816 109 HA ASN 14 HA ASN 14 22.276 -5.886 -13.583 110 HB2 ASN 14 1HB ASN 14 23.298 -7.439 -12.113 111 HB3 ASN 14 2HB ASN 14 21.763 -7.851 -11.354 112 HD21 ASN 14 2HD2 ASN 14 22.309 -7.513 -14.799 113 HD22 ASN 14 1HD2 ASN 14 22.045 -9.174 -15.194 114 H GLY 15 H GLY 15 19.364 -5.584 -11.924 115 HA2 GLY 15 1HA GLY 15 17.167 -5.989 -12.473 116 HA3 GLY 15 2HA GLY 15 17.711 -5.676 -14.114 117 H ASP 16 H ASP 16 18.485 -8.365 -11.930 118 HA ASP 16 HA ASP 16 17.329 -10.189 -13.937 119 HB2 ASP 16 1HB ASP 16 19.216 -11.400 -13.940 120 HB3 ASP 16 2HB ASP 16 19.967 -10.066 -13.068 121 H GLY 17 H GLY 17 17.166 -9.067 -10.755 122 HA2 GLY 17 1HA GLY 17 15.248 -9.670 -9.421 123 HA3 GLY 17 2HA GLY 17 15.377 -11.303 -10.058 124 H LYS 18 H LYS 18 18.345 -9.845 -9.218 125 HA LYS 18 HA LYS 18 18.324 -10.810 -6.482 126 HB2 LYS 18 1HB LYS 18 20.393 -11.904 -8.380 127 HB3 LYS 18 2HB LYS 18 20.080 -12.394 -6.720 128 HG2 LYS 18 1HG LYS 18 17.886 -13.274 -7.429 129 HG3 LYS 18 2HG LYS 18 18.290 -12.859 -9.096 130 HD2 LYS 18 1HD LYS 18 20.343 -14.436 -7.727 131 HD3 LYS 18 2HD LYS 18 18.795 -15.267 -7.899 132 HE2 LYS 18 1HE LYS 18 18.978 -14.332 -10.365 133 HE3 LYS 18 2HE LYS 18 20.699 -14.328 -9.984 134 HZ1 LYS 18 3HZ LYS 18 18.942 -16.545 -10.503 135 HZ2 LYS 18 1HZ LYS 18 19.892 -16.758 -9.119 136 HZ3 LYS 18 2HZ LYS 18 20.628 -16.453 -10.611 137 H ILE 19 H ILE 19 20.398 -10.320 -5.364 138 HA ILE 19 HA ILE 19 21.727 -7.985 -6.576 139 HB ILE 19 HB ILE 19 21.458 -8.289 -3.608 140 HG12 ILE 19 1HG1 ILE 19 19.176 -8.437 -4.380 141 HG13 ILE 19 2HG1 ILE 19 19.441 -6.820 -3.738 142 HG21 ILE 19 1HG2 ILE 19 22.377 -6.271 -5.505 143 HG22 ILE 19 2HG2 ILE 19 21.297 -5.636 -4.265 144 HG23 ILE 19 3HG2 ILE 19 22.769 -6.487 -3.799 145 HD11 ILE 19 3HD1 ILE 19 20.042 -6.730 -6.490 146 HD12 ILE 19 1HD1 ILE 19 18.517 -7.597 -6.309 147 HD13 ILE 19 2HD1 ILE 19 18.696 -5.976 -5.636 148 H SER 20 H SER 20 23.800 -8.339 -6.965 149 HA SER 20 HA SER 20 25.218 -10.368 -5.384 150 HB2 SER 20 1HB SER 20 26.718 -9.400 -7.654 151 HB3 SER 20 2HB SER 20 26.151 -11.034 -7.311 152 HG SER 20 HG SER 20 24.939 -9.000 -8.806 153 H LEU 21 H LEU 21 27.814 -9.669 -5.802 154 HA LEU 21 HA LEU 21 28.185 -7.595 -3.888 155 HB2 LEU 21 1HB LEU 21 30.380 -8.632 -5.634 156 HB3 LEU 21 2HB LEU 21 30.446 -8.121 -3.948 157 HG LEU 21 HG LEU 21 29.329 -10.700 -5.036 158 HD11 LEU 21 1HD1 LEU 21 31.256 -11.641 -4.434 159 HD12 LEU 21 2HD1 LEU 21 31.286 -10.789 -2.891 160 HD13 LEU 21 3HD1 LEU 21 31.903 -10.002 -4.343 161 HD21 LEU 21 3HD2 LEU 21 27.977 -10.775 -3.276 162 HD22 LEU 21 1HD2 LEU 21 28.623 -9.257 -2.652 163 HD23 LEU 21 2HD2 LEU 21 29.405 -10.783 -2.240 164 H SER 22 H SER 22 27.989 -7.675 -7.318 165 HA SER 22 HA SER 22 29.391 -5.174 -7.710 166 HB2 SER 22 1HB SER 22 28.912 -7.311 -9.345 167 HB3 SER 22 2HB SER 22 27.689 -6.168 -9.901 168 HG SER 22 HG SER 22 30.284 -5.218 -9.501 169 H GLU 23 H GLU 23 26.085 -6.315 -7.468 170 HA GLU 23 HA GLU 23 24.980 -3.736 -8.197 171 HB2 GLU 23 1HB GLU 23 23.524 -6.130 -7.071 172 HB3 GLU 23 2HB GLU 23 22.824 -4.766 -7.932 173 HG2 GLU 23 1HG GLU 23 23.733 -5.459 -9.986 174 HG3 GLU 23 2HG GLU 23 24.822 -6.605 -9.206 175 H LEU 24 H LEU 24 24.935 -5.816 -5.301 176 HA LEU 24 HA LEU 24 23.636 -4.147 -3.551 177 HB2 LEU 24 1HB LEU 24 24.618 -6.531 -3.246 178 HB3 LEU 24 2HB LEU 24 26.042 -5.680 -2.652 179 HG LEU 24 HG LEU 24 23.380 -5.077 -1.444 180 HD11 LEU 24 1HD1 LEU 24 24.916 -7.191 -0.117 181 HD12 LEU 24 2HD1 LEU 24 24.147 -7.675 -1.628 182 HD13 LEU 24 3HD1 LEU 24 23.174 -7.004 -0.319 183 HD21 LEU 24 3HD2 LEU 24 25.777 -4.014 -1.012 184 HD22 LEU 24 1HD2 LEU 24 25.906 -5.395 0.077 185 HD23 LEU 24 2HD2 LEU 24 24.597 -4.230 0.281 186 H THR 25 H THR 25 27.141 -4.260 -4.163 187 HA THR 25 HA THR 25 27.987 -2.306 -2.419 188 HB THR 25 HB THR 25 29.537 -3.661 -3.758 189 HG1 THR 25 HG1 THR 25 30.827 -1.673 -4.508 190 HG21 THR 25 3HG2 THR 25 28.091 -3.268 -5.891 191 HG22 THR 25 1HG2 THR 25 29.839 -3.445 -6.046 192 HG23 THR 25 2HG2 THR 25 29.107 -1.841 -6.095 193 H ASP 26 H ASP 26 26.612 -1.906 -5.652 194 HA ASP 26 HA ASP 26 27.050 0.808 -6.019 195 HB2 ASP 26 1HB ASP 26 24.585 -0.727 -6.866 196 HB3 ASP 26 2HB ASP 26 25.194 0.761 -7.584 197 H ALA 27 H ALA 27 24.844 -0.812 -3.901 198 HA ALA 27 HA ALA 27 23.226 1.544 -3.427 199 HB1 ALA 27 1HB ALA 27 22.857 -1.209 -3.090 200 HB2 ALA 27 2HB ALA 27 22.855 -0.523 -1.464 201 HB3 ALA 27 3HB ALA 27 21.730 0.084 -2.679 202 H LEU 28 H LEU 28 25.189 -0.557 -1.307 203 HA LEU 28 HA LEU 28 25.261 1.152 0.884 204 HB2 LEU 28 1HB LEU 28 27.523 -0.664 0.095 205 HB3 LEU 28 2HB LEU 28 27.043 -0.169 1.717 206 HG LEU 28 HG LEU 28 25.634 -2.109 -0.108 207 HD11 LEU 28 1HD1 LEU 28 26.004 -3.190 2.420 208 HD12 LEU 28 2HD1 LEU 28 27.507 -2.333 2.083 209 HD13 LEU 28 3HD1 LEU 28 26.926 -3.565 0.963 210 HD21 LEU 28 3HD2 LEU 28 23.863 -0.929 0.876 211 HD22 LEU 28 1HD2 LEU 28 24.706 -0.773 2.416 212 HD23 LEU 28 2HD2 LEU 28 24.084 -2.343 1.908 213 H ARG 29 H ARG 29 26.971 1.308 -2.108 214 HA ARG 29 HA ARG 29 29.003 3.117 -1.113 215 HB2 ARG 29 1HB ARG 29 29.954 3.026 -3.264 216 HB3 ARG 29 2HB ARG 29 29.326 1.407 -2.984 217 HG2 ARG 29 1HG ARG 29 28.540 1.715 -5.080 218 HG3 ARG 29 2HG ARG 29 27.202 2.451 -4.195 219 HD2 ARG 29 1HD ARG 29 27.562 4.214 -5.534 220 HD3 ARG 29 2HD ARG 29 28.909 4.554 -4.448 221 HE ARG 29 HE ARG 29 30.021 2.903 -6.260 222 HH11 ARG 29 1HH1 ARG 29 28.095 5.787 -6.568 223 HH12 ARG 29 2HH1 ARG 29 28.829 6.275 -8.059 224 HH21 ARG 29 1HH2 ARG 29 30.995 3.536 -8.223 225 HH22 ARG 29 2HH2 ARG 29 30.478 4.993 -9.000 226 H THR 30 H THR 30 25.863 3.297 -2.511 227 HA THR 30 HA THR 30 26.167 6.074 -3.323 228 HB THR 30 HB THR 30 23.813 4.185 -3.451 229 HG1 THR 30 HG1 THR 30 25.564 3.930 -4.990 230 HG21 THR 30 3HG2 THR 30 22.795 6.281 -3.165 231 HG22 THR 30 1HG2 THR 30 22.847 6.060 -4.913 232 HG23 THR 30 2HG2 THR 30 24.024 7.108 -4.121 233 H LEU 31 H LEU 31 24.929 4.212 -0.671 234 HA LEU 31 HA LEU 31 23.702 6.612 0.499 235 HB2 LEU 31 1HB LEU 31 23.462 3.848 1.626 236 HB3 LEU 31 2HB LEU 31 22.388 5.229 1.841 237 HG LEU 31 HG LEU 31 22.643 3.450 -0.576 238 HD11 LEU 31 1HD1 LEU 31 20.610 2.604 -0.018 239 HD12 LEU 31 2HD1 LEU 31 20.081 4.089 0.771 240 HD13 LEU 31 3HD1 LEU 31 21.193 2.999 1.600 241 HD21 LEU 31 3HD2 LEU 31 20.992 5.959 -0.289 242 HD22 LEU 31 1HD2 LEU 31 21.022 4.869 -1.676 243 HD23 LEU 31 2HD2 LEU 31 22.456 5.810 -1.263 244 H GLY 32 H GLY 32 26.370 4.466 0.759 245 HA2 GLY 32 1HA GLY 32 27.190 5.846 3.235 246 HA3 GLY 32 2HA GLY 32 27.387 4.108 3.064 247 H SER 33 H SER 33 28.090 4.406 0.191 248 HA SER 33 HA SER 33 29.893 4.857 -1.151 249 HB2 SER 33 1HB SER 33 29.901 7.073 0.308 250 HB3 SER 33 2HB SER 33 31.353 6.341 0.992 251 HG SER 33 HG SER 33 32.048 6.101 -1.265 252 H THR 34 H THR 34 29.632 2.590 0.594 253 HA THR 34 HA THR 34 32.296 2.027 1.597 254 HB THR 34 HB THR 34 30.080 1.251 2.675 255 HG1 THR 34 HG1 THR 34 32.450 0.414 2.889 256 HG21 THR 34 3HG2 THR 34 29.388 0.227 0.383 257 HG22 THR 34 1HG2 THR 34 29.011 -0.643 1.869 258 HG23 THR 34 2HG2 THR 34 30.394 -1.130 0.888 259 H SER 35 H SER 35 32.703 -0.586 1.074 260 HA SER 35 HA SER 35 32.858 -0.721 -1.867 261 HB2 SER 35 1HB SER 35 35.047 -0.241 -0.646 262 HB3 SER 35 2HB SER 35 34.929 -1.878 0.001 263 HG SER 35 HG SER 35 35.297 -1.039 -2.661 264 H ALA 36 H ALA 36 33.687 -3.164 -2.364 265 HA ALA 36 HA ALA 36 31.443 -4.798 -1.755 266 HB1 ALA 36 1HB ALA 36 33.882 -6.077 -2.827 267 HB2 ALA 36 2HB ALA 36 32.208 -6.179 -3.376 268 HB3 ALA 36 3HB ALA 36 33.186 -4.770 -3.786 269 H ASP 37 H ASP 37 34.563 -4.371 -0.322 270 HA ASP 37 HA ASP 37 35.023 -6.783 0.931 271 HB2 ASP 37 1HB ASP 37 36.330 -4.484 0.963 272 HB3 ASP 37 2HB ASP 37 35.470 -4.269 2.485 273 H GLU 38 H GLU 38 32.677 -4.315 1.709 274 HA GLU 38 HA GLU 38 31.902 -5.750 4.144 275 HB2 GLU 38 1HB GLU 38 30.682 -3.169 3.212 276 HB3 GLU 38 2HB GLU 38 30.791 -3.807 4.846 277 HG2 GLU 38 1HG GLU 38 33.113 -2.812 3.210 278 HG3 GLU 38 2HG GLU 38 32.287 -1.903 4.474 279 H VAL 39 H VAL 39 30.917 -5.150 0.898 280 HA VAL 39 HA VAL 39 28.151 -5.600 1.113 281 HB VAL 39 HB VAL 39 30.072 -6.021 -1.168 282 HG11 VAL 39 1HG1 VAL 39 27.105 -6.492 -1.067 283 HG12 VAL 39 2HG1 VAL 39 27.959 -6.148 -2.573 284 HG13 VAL 39 3HG1 VAL 39 28.371 -7.582 -1.632 285 HG21 VAL 39 3HG2 VAL 39 29.652 -3.893 -1.712 286 HG22 VAL 39 1HG2 VAL 39 27.919 -4.080 -1.446 287 HG23 VAL 39 2HG2 VAL 39 28.988 -3.734 -0.086 288 H GLN 40 H GLN 40 30.694 -7.873 0.057 289 HA GLN 40 HA GLN 40 29.140 -10.152 -0.102 290 HB2 GLN 40 1HB GLN 40 31.327 -11.372 0.440 291 HB3 GLN 40 2HB GLN 40 31.317 -10.312 -0.963 292 HG2 GLN 40 1HG GLN 40 32.705 -8.785 0.000 293 HG3 GLN 40 2HG GLN 40 32.179 -9.174 1.637 294 HE21 GLN 40 2HE2 GLN 40 32.584 -11.815 1.837 295 HE22 GLN 40 1HE2 GLN 40 34.257 -12.199 1.643 296 H ARG 41 H ARG 41 30.273 -8.475 2.698 297 HA ARG 41 HA ARG 41 29.807 -10.697 4.494 298 HB2 ARG 41 1HB ARG 41 30.269 -7.826 5.283 299 HB3 ARG 41 2HB ARG 41 30.581 -9.275 6.228 300 HG2 ARG 41 1HG ARG 41 32.396 -9.884 4.730 301 HG3 ARG 41 2HG ARG 41 32.065 -8.463 3.737 302 HD2 ARG 41 1HD ARG 41 32.965 -7.021 5.257 303 HD3 ARG 41 2HD ARG 41 32.538 -8.036 6.634 304 HE ARG 41 HE ARG 41 34.443 -9.485 5.392 305 HH11 ARG 41 1HH1 ARG 41 34.291 -6.167 6.435 306 HH12 ARG 41 2HH1 ARG 41 35.994 -6.045 6.730 307 HH21 ARG 41 1HH2 ARG 41 36.687 -9.337 5.776 308 HH22 ARG 41 2HH2 ARG 41 37.356 -7.849 6.354 309 H MET 42 H MET 42 28.171 -7.784 3.440 310 HA MET 42 HA MET 42 26.132 -7.869 5.442 311 HB2 MET 42 1HB MET 42 26.588 -5.754 4.441 312 HB3 MET 42 2HB MET 42 26.378 -6.401 2.819 313 HG2 MET 42 1HG MET 42 24.146 -6.191 2.879 314 HG3 MET 42 2HG MET 42 24.042 -6.662 4.574 315 HE1 MET 42 3HE MET 42 26.087 -4.229 5.941 316 HE2 MET 42 1HE MET 42 24.605 -3.487 6.544 317 HE3 MET 42 2HE MET 42 24.747 -5.243 6.479 318 H MET 43 H MET 43 26.415 -8.997 2.107 319 HA MET 43 HA MET 43 23.695 -9.933 2.007 320 HB2 MET 43 1HB MET 43 24.441 -10.968 -0.161 321 HB3 MET 43 2HB MET 43 24.653 -9.225 -0.060 322 HG2 MET 43 1HG MET 43 26.773 -9.478 -0.612 323 HG3 MET 43 2HG MET 43 27.036 -10.374 0.882 324 HE1 MET 43 3HE MET 43 24.657 -11.643 -2.027 325 HE2 MET 43 1HE MET 43 25.861 -10.627 -2.821 326 HE3 MET 43 2HE MET 43 25.850 -12.368 -3.106 327 H ALA 44 H ALA 44 26.793 -11.228 2.880 328 HA ALA 44 HA ALA 44 26.334 -13.963 2.574 329 HB1 ALA 44 1HB ALA 44 28.173 -12.291 4.155 330 HB2 ALA 44 2HB ALA 44 27.923 -13.933 4.749 331 HB3 ALA 44 3HB ALA 44 28.505 -13.669 3.105 332 H GLU 45 H GLU 45 25.191 -11.720 4.980 333 HA GLU 45 HA GLU 45 24.203 -13.871 6.685 334 HB2 GLU 45 1HB GLU 45 23.438 -11.977 8.146 335 HB3 GLU 45 2HB GLU 45 25.174 -12.046 7.880 336 HG2 GLU 45 1HG GLU 45 24.993 -10.288 6.200 337 HG3 GLU 45 2HG GLU 45 23.251 -10.219 6.458 338 H ILE 46 H ILE 46 23.041 -11.395 4.489 339 HA ILE 46 HA ILE 46 20.279 -11.698 5.098 340 HB ILE 46 HB ILE 46 21.591 -10.615 2.602 341 HG12 ILE 46 1HG1 ILE 46 20.349 -9.064 4.872 342 HG13 ILE 46 2HG1 ILE 46 22.060 -9.478 4.839 343 HG21 ILE 46 1HG2 ILE 46 19.127 -9.411 2.875 344 HG22 ILE 46 2HG2 ILE 46 19.535 -10.697 1.740 345 HG23 ILE 46 3HG2 ILE 46 18.810 -11.094 3.298 346 HD11 ILE 46 3HD1 ILE 46 20.641 -7.888 2.716 347 HD12 ILE 46 1HD1 ILE 46 21.582 -7.199 4.038 348 HD13 ILE 46 2HD1 ILE 46 22.373 -8.206 2.825 349 H ASP 47 H ASP 47 22.465 -13.204 2.790 350 HA ASP 47 HA ASP 47 20.635 -14.460 1.121 351 HB2 ASP 47 1HB ASP 47 23.418 -14.533 1.524 352 HB3 ASP 47 2HB ASP 47 22.874 -16.203 1.657 353 H THR 48 H THR 48 18.948 -15.624 1.774 354 HA THR 48 HA THR 48 18.879 -17.079 4.219 355 HB THR 48 HB THR 48 17.002 -17.203 1.850 356 HG1 THR 48 HG1 THR 48 17.215 -15.549 4.110 357 HG21 THR 48 3HG2 THR 48 15.558 -17.855 4.089 358 HG22 THR 48 1HG2 THR 48 17.095 -18.669 4.380 359 HG23 THR 48 2HG2 THR 48 16.184 -19.006 2.909 360 H ASP 49 H ASP 49 19.653 -17.891 0.918 361 HA ASP 49 HA ASP 49 20.005 -20.705 1.719 362 HB2 ASP 49 1HB ASP 49 20.063 -20.807 -0.995 363 HB3 ASP 49 2HB ASP 49 18.608 -21.043 -0.031 364 H GLY 50 H GLY 50 21.584 -17.857 0.811 365 HA2 GLY 50 1HA GLY 50 23.773 -17.361 0.328 366 HA3 GLY 50 2HA GLY 50 24.156 -18.876 1.133 367 H ASP 51 H ASP 51 23.202 -17.474 -1.970 368 HA ASP 51 HA ASP 51 24.614 -19.694 -3.297 369 HB2 ASP 51 1HB ASP 51 22.993 -19.861 -4.956 370 HB3 ASP 51 2HB ASP 51 22.019 -19.555 -3.520 371 H GLY 52 H GLY 52 25.234 -16.787 -2.447 372 HA2 GLY 52 1HA GLY 52 26.886 -15.374 -3.305 373 HA3 GLY 52 2HA GLY 52 26.716 -16.162 -4.867 374 H PHE 53 H PHE 53 23.682 -15.412 -3.754 375 HA PHE 53 HA PHE 53 23.674 -12.672 -4.742 376 HB2 PHE 53 1HB PHE 53 22.080 -14.903 -6.014 377 HB3 PHE 53 2HB PHE 53 21.768 -13.193 -6.290 378 HD1 PHE 53 HD2 PHE 53 24.158 -15.933 -6.824 379 HD2 PHE 53 HD1 PHE 53 23.156 -11.895 -7.724 380 HE1 PHE 53 HE2 PHE 53 25.826 -15.926 -8.633 381 HE2 PHE 53 HE1 PHE 53 24.822 -11.882 -9.535 382 HZ PHE 53 HZ PHE 53 26.160 -13.899 -9.991 383 H ILE 54 H ILE 54 21.801 -11.487 -4.169 384 HA ILE 54 HA ILE 54 20.285 -12.717 -1.968 385 HB ILE 54 HB ILE 54 20.956 -9.832 -2.529 386 HG12 ILE 54 1HG1 ILE 54 22.710 -11.161 -1.436 387 HG13 ILE 54 2HG1 ILE 54 22.053 -9.951 -0.339 388 HG21 ILE 54 1HG2 ILE 54 19.713 -9.886 -0.078 389 HG22 ILE 54 2HG2 ILE 54 19.000 -9.317 -1.586 390 HG23 ILE 54 3HG2 ILE 54 18.724 -10.974 -1.051 391 HD11 ILE 54 3HD1 ILE 54 22.214 -11.824 0.992 392 HD12 ILE 54 1HD1 ILE 54 20.528 -11.868 0.476 393 HD13 ILE 54 2HD1 ILE 54 21.717 -12.915 -0.302 394 H ASP 55 H ASP 55 18.428 -13.498 -2.764 395 HA ASP 55 HA ASP 55 17.047 -12.453 -4.992 396 HB2 ASP 55 1HB ASP 55 15.770 -14.088 -2.805 397 HB3 ASP 55 2HB ASP 55 15.356 -14.044 -4.516 398 H PHE 56 H PHE 56 14.434 -12.189 -4.384 399 HA PHE 56 HA PHE 56 14.375 -9.575 -3.154 400 HB2 PHE 56 1HB PHE 56 13.104 -10.276 -5.267 401 HB3 PHE 56 2HB PHE 56 11.991 -11.106 -4.183 402 HD1 PHE 56 HD1 PHE 56 11.161 -9.575 -2.158 403 HD2 PHE 56 HD2 PHE 56 12.550 -8.156 -5.923 404 HE1 PHE 56 HE1 PHE 56 9.925 -7.475 -1.819 405 HE2 PHE 56 HE2 PHE 56 11.316 -6.053 -5.590 406 HZ PHE 56 HZ PHE 56 10.002 -5.710 -3.535 407 H ASN 57 H ASN 57 13.081 -12.796 -2.500 408 HA ASN 57 HA ASN 57 11.455 -12.153 -0.317 409 HB2 ASN 57 1HB ASN 57 12.691 -14.600 -1.410 410 HB3 ASN 57 2HB ASN 57 12.306 -14.664 0.307 411 HD21 ASN 57 2HD2 ASN 57 10.944 -13.954 -2.864 412 HD22 ASN 57 1HD2 ASN 57 9.328 -14.424 -2.474 413 H GLU 58 H GLU 58 14.676 -13.684 -0.146 414 HA GLU 58 HA GLU 58 15.086 -13.370 2.567 415 HB2 GLU 58 1HB GLU 58 17.548 -13.431 1.989 416 HB3 GLU 58 2HB GLU 58 16.582 -14.756 1.355 417 HG2 GLU 58 1HG GLU 58 16.416 -13.211 -0.755 418 HG3 GLU 58 2HG GLU 58 17.881 -12.500 -0.080 419 H PHE 59 H PHE 59 15.423 -11.037 -0.003 420 HA PHE 59 HA PHE 59 17.018 -9.116 1.198 421 HB2 PHE 59 1HB PHE 59 16.032 -9.160 -1.176 422 HB3 PHE 59 2HB PHE 59 14.609 -8.405 -0.465 423 HD1 PHE 59 HD1 PHE 59 18.314 -7.953 -0.312 424 HD2 PHE 59 HD2 PHE 59 14.486 -6.137 -0.712 425 HE1 PHE 59 HE1 PHE 59 19.386 -5.748 -0.525 426 HE2 PHE 59 HE2 PHE 59 15.552 -3.929 -0.926 427 HZ PHE 59 HZ PHE 59 18.005 -3.733 -0.834 428 H ILE 60 H ILE 60 13.544 -9.672 1.537 429 HA ILE 60 HA ILE 60 13.227 -7.433 3.340 430 HB ILE 60 HB ILE 60 11.162 -9.571 2.943 431 HG12 ILE 60 1HG1 ILE 60 11.801 -7.306 1.041 432 HG13 ILE 60 2HG1 ILE 60 11.937 -9.027 0.699 433 HG21 ILE 60 1HG2 ILE 60 10.906 -7.684 4.599 434 HG22 ILE 60 2HG2 ILE 60 10.836 -6.593 3.215 435 HG23 ILE 60 3HG2 ILE 60 9.610 -7.845 3.413 436 HD11 ILE 60 3HD1 ILE 60 9.864 -9.008 -0.053 437 HD12 ILE 60 1HD1 ILE 60 9.295 -8.566 1.556 438 HD13 ILE 60 2HD1 ILE 60 9.695 -7.309 0.385 439 H SER 61 H SER 61 13.671 -10.886 3.538 440 HA SER 61 HA SER 61 12.764 -11.429 6.095 441 HB2 SER 61 1HB SER 61 13.482 -13.239 4.701 442 HB3 SER 61 2HB SER 61 15.111 -12.574 4.572 443 HG SER 61 HG SER 61 14.734 -14.358 6.132 444 H PHE 62 H PHE 62 15.953 -10.233 5.090 445 HA PHE 62 HA PHE 62 16.795 -9.940 7.852 446 HB2 PHE 62 1HB PHE 62 18.119 -10.288 5.389 447 HB3 PHE 62 2HB PHE 62 18.574 -8.688 5.963 448 HD1 PHE 62 HD1 PHE 62 18.171 -12.147 7.308 449 HD2 PHE 62 HD2 PHE 62 20.435 -8.542 7.290 450 HE1 PHE 62 HE1 PHE 62 19.802 -13.167 8.841 451 HE2 PHE 62 HE2 PHE 62 22.070 -9.558 8.822 452 HZ PHE 62 HZ PHE 62 21.755 -11.873 9.599 453 H CYS 63 H CYS 63 16.236 -7.818 5.052 454 HA CYS 63 HA CYS 63 16.797 -5.375 6.176 455 HB2 CYS 63 1HB CYS 63 16.280 -5.502 3.846 456 HB3 CYS 63 2HB CYS 63 14.674 -6.141 4.172 457 HG CYS 63 HG CYS 63 15.046 -3.272 3.288 458 H ASN 64 H ASN 64 13.877 -7.314 6.515 459 HA ASN 64 HA ASN 64 12.207 -5.451 7.727 460 HB2 ASN 64 1HB ASN 64 11.431 -7.655 6.990 461 HB3 ASN 64 2HB ASN 64 12.386 -8.426 8.253 462 HD21 ASN 64 2HD2 ASN 64 10.370 -5.524 8.360 463 HD22 ASN 64 1HD2 ASN 64 9.291 -6.106 9.578 464 H ALA 65 H ALA 65 14.795 -7.400 9.085 465 HA ALA 65 HA ALA 65 14.225 -6.807 11.811 466 HB1 ALA 65 1HB ALA 65 16.125 -8.376 10.358 467 HB2 ALA 65 2HB ALA 65 16.965 -7.398 11.563 468 HB3 ALA 65 3HB ALA 65 15.662 -8.479 12.057 469 H ASN 66 H ASN 66 15.594 -5.002 9.284 470 HA ASN 66 HA ASN 66 16.858 -3.149 11.193 471 HB2 ASN 66 1HB ASN 66 17.431 -3.756 8.301 472 HB3 ASN 66 2HB ASN 66 17.968 -2.249 9.038 473 HD21 ASN 66 2HD2 ASN 66 17.889 -5.681 9.952 474 HD22 ASN 66 1HD2 ASN 66 19.535 -5.753 10.471 475 HA PRO 67 HA PRO 67 13.030 -1.017 9.725 476 HB2 PRO 67 1HB PRO 67 12.458 0.087 12.138 477 HB3 PRO 67 2HB PRO 67 11.945 -1.542 11.681 478 HG2 PRO 67 1HG PRO 67 14.275 -0.691 13.356 479 HG3 PRO 67 2HG PRO 67 13.134 -2.021 13.621 480 HD2 PRO 67 1HD PRO 67 15.608 -2.408 12.592 481 HD3 PRO 67 2HD PRO 67 14.217 -3.413 12.138 482 H GLY 68 H GLY 68 15.896 -0.010 11.443 483 HA2 GLY 68 1HA GLY 68 15.414 2.812 11.098 484 HA3 GLY 68 2HA GLY 68 16.891 2.069 11.694 485 H LEU 69 H LEU 69 16.716 0.310 9.157 486 HA LEU 69 HA LEU 69 18.280 2.140 7.517 487 HB2 LEU 69 1HB LEU 69 19.143 -0.106 8.049 488 HB3 LEU 69 2HB LEU 69 17.775 -0.816 7.194 489 HG LEU 69 HG LEU 69 19.738 0.995 5.817 490 HD11 LEU 69 1HD1 LEU 69 20.112 -1.760 6.734 491 HD12 LEU 69 2HD1 LEU 69 21.297 -0.562 6.216 492 HD13 LEU 69 3HD1 LEU 69 20.424 -1.513 5.015 493 HD21 LEU 69 3HD2 LEU 69 18.796 -0.918 4.073 494 HD22 LEU 69 1HD2 LEU 69 18.217 0.742 4.206 495 HD23 LEU 69 2HD2 LEU 69 17.391 -0.552 5.074 496 H MET 70 H MET 70 15.516 -0.069 7.129 497 HA MET 70 HA MET 70 14.900 0.433 4.487 498 HB2 MET 70 1HB MET 70 12.534 -0.120 5.132 499 HB3 MET 70 2HB MET 70 13.735 -1.295 5.650 500 HG2 MET 70 1HG MET 70 13.640 -0.529 7.893 501 HG3 MET 70 2HG MET 70 12.680 0.876 7.437 502 HE1 MET 70 3HE MET 70 12.572 -2.652 6.177 503 HE2 MET 70 1HE MET 70 12.342 -3.254 7.819 504 HE3 MET 70 2HE MET 70 11.006 -3.298 6.669 505 H LYS 71 H LYS 71 14.492 2.483 7.244 506 HA LYS 71 HA LYS 71 12.606 4.261 5.991 507 HB2 LYS 71 1HB LYS 71 14.266 4.520 8.502 508 HB3 LYS 71 2HB LYS 71 13.089 5.715 7.975 509 HG2 LYS 71 1HG LYS 71 11.289 4.187 8.257 510 HG3 LYS 71 2HG LYS 71 12.399 2.839 8.516 511 HD2 LYS 71 1HD LYS 71 13.260 4.211 10.518 512 HD3 LYS 71 2HD LYS 71 11.770 5.140 10.336 513 HE2 LYS 71 1HE LYS 71 11.511 2.193 10.370 514 HE3 LYS 71 2HE LYS 71 11.964 2.965 11.888 515 HZ1 LYS 71 3HZ LYS 71 9.457 3.087 10.420 516 HZ2 LYS 71 1HZ LYS 71 9.963 4.531 11.142 517 HZ3 LYS 71 2HZ LYS 71 9.741 3.145 12.087 518 H ASP 72 H ASP 72 16.076 4.055 6.357 519 HA ASP 72 HA ASP 72 16.531 6.728 5.354 520 HB2 ASP 72 1HB ASP 72 18.070 4.737 6.718 521 HB3 ASP 72 2HB ASP 72 18.915 5.192 5.240 522 H VAL 73 H VAL 73 16.751 3.415 4.158 523 HA VAL 73 HA VAL 73 17.893 4.084 1.642 524 HB VAL 73 HB VAL 73 18.075 1.823 2.508 525 HG11 VAL 73 1HG1 VAL 73 15.266 1.126 1.925 526 HG12 VAL 73 2HG1 VAL 73 16.353 0.517 3.174 527 HG13 VAL 73 3HG1 VAL 73 15.551 2.074 3.384 528 HG21 VAL 73 3HG2 VAL 73 18.199 2.066 0.112 529 HG22 VAL 73 1HG2 VAL 73 17.341 0.574 0.498 530 HG23 VAL 73 2HG2 VAL 73 16.442 1.999 -0.022 531 H ALA 74 H ALA 74 14.590 3.703 2.807 532 HA ALA 74 HA ALA 74 13.402 3.951 0.208 533 HB1 ALA 74 1HB ALA 74 11.946 4.421 2.785 534 HB2 ALA 74 2HB ALA 74 11.341 3.744 1.273 535 HB3 ALA 74 3HB ALA 74 12.428 2.798 2.290 536 H LYS 75 H LYS 75 15.068 6.129 1.905 537 HA LYS 75 HA LYS 75 13.267 8.391 1.526 538 HB2 LYS 75 1HB LYS 75 14.537 9.513 3.036 539 HB3 LYS 75 2HB LYS 75 15.035 7.889 3.490 540 HG2 LYS 75 1HG LYS 75 16.933 8.193 1.807 541 HG3 LYS 75 2HG LYS 75 16.514 9.908 1.841 542 HD2 LYS 75 1HD LYS 75 17.161 10.157 4.045 543 HD3 LYS 75 2HD LYS 75 16.945 8.443 4.410 544 HE2 LYS 75 1HE LYS 75 19.009 7.886 3.653 545 HE3 LYS 75 2HE LYS 75 18.998 9.117 2.392 546 HZ1 LYS 75 3HZ LYS 75 19.945 9.279 5.126 547 HZ2 LYS 75 1HZ LYS 75 19.087 10.632 4.582 548 HZ3 LYS 75 2HZ LYS 75 20.464 10.112 3.748 549 H VAL 76 H VAL 76 16.099 6.936 0.111 550 HA VAL 76 HA VAL 76 16.054 9.007 -1.984 551 HB VAL 76 HB VAL 76 18.058 9.228 -0.510 552 HG11 VAL 76 1HG1 VAL 76 19.194 6.767 -1.744 553 HG12 VAL 76 2HG1 VAL 76 19.625 7.576 -0.237 554 HG13 VAL 76 3HG1 VAL 76 18.154 6.607 -0.329 555 HG21 VAL 76 3HG2 VAL 76 19.638 8.733 -2.693 556 HG22 VAL 76 1HG2 VAL 76 18.036 8.898 -3.412 557 HG23 VAL 76 2HG2 VAL 76 18.698 10.200 -2.424 558 H PHE 77 H PHE 77 16.549 5.649 -1.119 559 HA PHE 77 HA PHE 77 16.762 4.902 -3.942 560 HB2 PHE 77 1HB PHE 77 17.527 3.637 -1.375 561 HB3 PHE 77 2HB PHE 77 16.969 2.546 -2.639 562 HD1 PHE 77 HD2 PHE 77 18.739 5.675 -3.365 563 HD2 PHE 77 HD1 PHE 77 19.079 1.455 -2.928 564 HE1 PHE 77 HE2 PHE 77 20.966 5.750 -4.407 565 HE2 PHE 77 HE1 PHE 77 21.307 1.523 -3.970 566 HZ PHE 77 HZ PHE 77 22.253 3.672 -4.712 Start of MODEL 18 1 H1 ALA 1 H ALA 1 1.411 -3.086 -4.297 2 HA ALA 1 HA ALA 1 1.843 -1.195 -2.480 3 HB1 ALA 1 1HB ALA 1 -0.205 -2.455 -2.484 4 HB2 ALA 1 2HB ALA 1 0.631 -3.891 -1.890 5 HB3 ALA 1 3HB ALA 1 0.473 -2.471 -0.855 6 H ASP 2 H ASP 2 4.405 -1.917 -2.786 7 HA ASP 2 HA ASP 2 5.227 -2.434 -0.066 8 HB2 ASP 2 1HB ASP 2 5.787 -4.365 -2.298 9 HB3 ASP 2 2HB ASP 2 6.922 -4.191 -0.962 10 H ASP 3 H ASP 3 6.687 -0.928 0.350 11 HA ASP 3 HA ASP 3 7.903 0.689 -1.581 12 HB2 ASP 3 1HB ASP 3 9.308 1.525 0.263 13 HB3 ASP 3 2HB ASP 3 7.615 1.413 0.734 14 H MET 4 H MET 4 8.869 -2.351 -0.199 15 HA MET 4 HA MET 4 11.614 -2.248 -0.879 16 HB2 MET 4 1HB MET 4 9.827 -4.664 -0.544 17 HB3 MET 4 2HB MET 4 11.586 -4.678 -0.544 18 HG2 MET 4 1HG MET 4 9.985 -3.098 1.442 19 HG3 MET 4 2HG MET 4 10.440 -4.780 1.705 20 HE1 MET 4 3HE MET 4 13.126 -5.461 2.504 21 HE2 MET 4 1HE MET 4 12.946 -5.357 0.753 22 HE3 MET 4 2HE MET 4 14.321 -4.587 1.544 23 H GLU 5 H GLU 5 8.749 -2.870 -2.705 24 HA GLU 5 HA GLU 5 9.858 -4.374 -4.815 25 HB2 GLU 5 1HB GLU 5 7.462 -4.250 -4.520 26 HB3 GLU 5 2HB GLU 5 7.483 -2.508 -4.756 27 HG2 GLU 5 1HG GLU 5 8.140 -2.789 -7.062 28 HG3 GLU 5 2HG GLU 5 8.244 -4.535 -6.845 29 H ARG 6 H ARG 6 9.235 -0.879 -4.529 30 HA ARG 6 HA ARG 6 10.476 -0.249 -7.015 31 HB2 ARG 6 1HB ARG 6 10.365 2.112 -6.152 32 HB3 ARG 6 2HB ARG 6 8.826 1.261 -6.188 33 HG2 ARG 6 1HG ARG 6 8.890 0.907 -3.825 34 HG3 ARG 6 2HG ARG 6 10.535 1.537 -3.728 35 HD2 ARG 6 1HD ARG 6 9.291 3.355 -3.045 36 HD3 ARG 6 2HD ARG 6 9.489 3.679 -4.767 37 HE ARG 6 HE ARG 6 7.139 2.258 -4.524 38 HH11 ARG 6 1HH1 ARG 6 8.416 5.277 -3.353 39 HH12 ARG 6 2HH1 ARG 6 6.869 6.052 -3.277 40 HH21 ARG 6 1HH2 ARG 6 5.095 3.267 -4.427 41 HH22 ARG 6 2HH2 ARG 6 4.980 4.908 -3.887 42 H ILE 7 H ILE 7 11.547 -0.319 -3.665 43 HA ILE 7 HA ILE 7 14.045 0.956 -4.095 44 HB ILE 7 HB ILE 7 13.185 -0.937 -1.905 45 HG12 ILE 7 1HG1 ILE 7 13.554 2.028 -1.630 46 HG13 ILE 7 2HG1 ILE 7 12.054 1.388 -2.293 47 HG21 ILE 7 1HG2 ILE 7 15.748 0.380 -2.481 48 HG22 ILE 7 2HG2 ILE 7 15.168 0.556 -0.826 49 HG23 ILE 7 3HG2 ILE 7 15.397 -1.052 -1.514 50 HD11 ILE 7 3HD1 ILE 7 13.059 1.387 0.459 51 HD12 ILE 7 1HD1 ILE 7 11.405 1.393 -0.152 52 HD13 ILE 7 2HD1 ILE 7 12.308 -0.120 -0.066 53 H PHE 8 H PHE 8 12.970 -2.390 -4.219 54 HA PHE 8 HA PHE 8 15.484 -3.630 -4.316 55 HB2 PHE 8 1HB PHE 8 13.382 -4.858 -3.944 56 HB3 PHE 8 2HB PHE 8 12.896 -4.524 -5.603 57 HD1 PHE 8 HD1 PHE 8 15.157 -6.447 -3.459 58 HD2 PHE 8 HD2 PHE 8 13.861 -5.722 -7.448 59 HE1 PHE 8 HE1 PHE 8 16.295 -8.499 -4.198 60 HE2 PHE 8 HE2 PHE 8 14.996 -7.773 -8.193 61 HZ PHE 8 HZ PHE 8 16.215 -9.166 -6.567 62 H LYS 9 H LYS 9 13.689 -1.876 -6.699 63 HA LYS 9 HA LYS 9 14.901 -2.900 -9.030 64 HB2 LYS 9 1HB LYS 9 13.922 -0.069 -8.690 65 HB3 LYS 9 2HB LYS 9 13.975 -1.026 -10.165 66 HG2 LYS 9 1HG LYS 9 12.153 -1.429 -7.804 67 HG3 LYS 9 2HG LYS 9 11.707 -0.873 -9.419 68 HD2 LYS 9 1HD LYS 9 12.832 -3.590 -8.737 69 HD3 LYS 9 2HD LYS 9 11.139 -3.233 -9.087 70 HE2 LYS 9 1HE LYS 9 11.885 -2.380 -11.325 71 HE3 LYS 9 2HE LYS 9 13.492 -3.002 -10.955 72 HZ1 LYS 9 3HZ LYS 9 11.205 -4.818 -10.716 73 HZ2 LYS 9 1HZ LYS 9 12.807 -5.153 -11.144 74 HZ3 LYS 9 2HZ LYS 9 11.764 -4.436 -12.266 75 H ARG 10 H ARG 10 16.011 -0.719 -6.598 76 HA ARG 10 HA ARG 10 18.118 0.397 -8.243 77 HB2 ARG 10 1HB ARG 10 17.748 0.656 -5.257 78 HB3 ARG 10 2HB ARG 10 18.729 1.677 -6.299 79 HG2 ARG 10 1HG ARG 10 15.741 1.440 -6.543 80 HG3 ARG 10 2HG ARG 10 16.553 2.668 -5.570 81 HD2 ARG 10 1HD ARG 10 17.444 2.371 -8.377 82 HD3 ARG 10 2HD ARG 10 15.841 3.059 -8.119 83 HE ARG 10 HE ARG 10 17.766 4.315 -6.455 84 HH11 ARG 10 1HH1 ARG 10 16.627 4.173 -9.742 85 HH12 ARG 10 2HH1 ARG 10 17.129 5.787 -10.123 86 HH21 ARG 10 1HH2 ARG 10 18.431 6.441 -6.945 87 HH22 ARG 10 2HH2 ARG 10 18.155 7.076 -8.532 88 H PHE 11 H PHE 11 17.977 -1.591 -5.284 89 HA PHE 11 HA PHE 11 20.688 -2.163 -5.089 90 HB2 PHE 11 1HB PHE 11 18.247 -3.707 -4.230 91 HB3 PHE 11 2HB PHE 11 19.877 -4.277 -3.888 92 HD1 PHE 11 HD1 PHE 11 17.600 -1.390 -3.390 93 HD2 PHE 11 HD2 PHE 11 21.033 -3.503 -2.024 94 HE1 PHE 11 HE1 PHE 11 17.663 0.023 -1.377 95 HE2 PHE 11 HE2 PHE 11 21.101 -2.094 -0.008 96 HZ PHE 11 HZ PHE 11 19.415 -0.329 0.318 97 H ASP 12 H ASP 12 18.225 -3.576 -7.124 98 HA ASP 12 HA ASP 12 20.009 -5.696 -8.020 99 HB2 ASP 12 1HB ASP 12 17.684 -6.298 -7.685 100 HB3 ASP 12 2HB ASP 12 17.159 -5.015 -8.771 101 H THR 13 H THR 13 21.424 -3.750 -8.736 102 HA THR 13 HA THR 13 20.801 -2.195 -10.960 103 HB THR 13 HB THR 13 23.457 -3.244 -9.986 104 HG1 THR 13 HG1 THR 13 22.818 -1.706 -8.604 105 HG21 THR 13 3HG2 THR 13 22.919 -1.242 -12.183 106 HG22 THR 13 1HG2 THR 13 23.664 -2.828 -12.373 107 HG23 THR 13 2HG2 THR 13 24.498 -1.565 -11.467 108 H ASN 14 H ASN 14 21.511 -5.555 -10.738 109 HA ASN 14 HA ASN 14 22.279 -5.857 -13.504 110 HB2 ASN 14 1HB ASN 14 23.269 -7.424 -12.026 111 HB3 ASN 14 2HB ASN 14 21.724 -7.806 -11.272 112 HD21 ASN 14 2HD2 ASN 14 22.278 -7.482 -14.716 113 HD22 ASN 14 1HD2 ASN 14 21.989 -9.139 -15.110 114 H GLY 15 H GLY 15 19.372 -5.500 -11.845 115 HA2 GLY 15 1HA GLY 15 17.167 -5.868 -12.394 116 HA3 GLY 15 2HA GLY 15 17.717 -5.560 -14.035 117 H ASP 16 H ASP 16 18.450 -8.268 -11.861 118 HA ASP 16 HA ASP 16 17.255 -10.067 -13.868 119 HB2 ASP 16 1HB ASP 16 19.122 -11.310 -13.887 120 HB3 ASP 16 2HB ASP 16 19.901 -9.988 -13.021 121 H GLY 17 H GLY 17 17.129 -8.953 -10.682 122 HA2 GLY 17 1HA GLY 17 15.208 -9.534 -9.341 123 HA3 GLY 17 2HA GLY 17 15.317 -11.168 -9.979 124 H LYS 18 H LYS 18 18.318 -9.783 -9.177 125 HA LYS 18 HA LYS 18 18.300 -10.704 -6.426 126 HB2 LYS 18 1HB LYS 18 20.306 -11.903 -8.329 127 HB3 LYS 18 2HB LYS 18 19.995 -12.354 -6.658 128 HG2 LYS 18 1HG LYS 18 17.780 -13.190 -7.312 129 HG3 LYS 18 2HG LYS 18 18.137 -12.778 -8.991 130 HD2 LYS 18 1HD LYS 18 20.233 -14.383 -7.774 131 HD3 LYS 18 2HD LYS 18 18.664 -15.192 -7.743 132 HE2 LYS 18 1HE LYS 18 18.752 -14.148 -10.278 133 HE3 LYS 18 2HE LYS 18 20.432 -14.598 -9.992 134 HZ1 LYS 18 3HZ LYS 18 19.873 -16.681 -10.427 135 HZ2 LYS 18 1HZ LYS 18 18.242 -16.265 -10.589 136 HZ3 LYS 18 2HZ LYS 18 18.858 -16.694 -9.074 137 H ILE 19 H ILE 19 20.272 -10.147 -5.275 138 HA ILE 19 HA ILE 19 21.695 -7.907 -6.559 139 HB ILE 19 HB ILE 19 21.531 -8.177 -3.586 140 HG12 ILE 19 1HG1 ILE 19 19.215 -8.374 -4.256 141 HG13 ILE 19 2HG1 ILE 19 19.485 -6.753 -3.627 142 HG21 ILE 19 1HG2 ILE 19 22.177 -6.095 -5.581 143 HG22 ILE 19 2HG2 ILE 19 21.353 -5.561 -4.118 144 HG23 ILE 19 3HG2 ILE 19 22.891 -6.415 -4.001 145 HD11 ILE 19 3HD1 ILE 19 19.949 -6.683 -6.416 146 HD12 ILE 19 1HD1 ILE 19 18.429 -7.531 -6.135 147 HD13 ILE 19 2HD1 ILE 19 18.665 -5.906 -5.491 148 H SER 20 H SER 20 23.768 -8.261 -6.954 149 HA SER 20 HA SER 20 25.165 -10.348 -5.428 150 HB2 SER 20 1HB SER 20 24.965 -10.051 -8.134 151 HB3 SER 20 2HB SER 20 26.493 -9.232 -7.813 152 HG SER 20 HG SER 20 27.327 -11.144 -7.678 153 H LEU 21 H LEU 21 27.771 -9.679 -5.891 154 HA LEU 21 HA LEU 21 28.208 -7.653 -3.940 155 HB2 LEU 21 1HB LEU 21 30.346 -8.695 -5.755 156 HB3 LEU 21 2HB LEU 21 30.466 -8.199 -4.068 157 HG LEU 21 HG LEU 21 29.294 -10.755 -5.152 158 HD11 LEU 21 1HD1 LEU 21 31.209 -11.732 -4.559 159 HD12 LEU 21 2HD1 LEU 21 31.286 -10.857 -3.031 160 HD13 LEU 21 3HD1 LEU 21 31.883 -10.103 -4.509 161 HD21 LEU 21 3HD2 LEU 21 27.965 -10.830 -3.374 162 HD22 LEU 21 1HD2 LEU 21 28.632 -9.321 -2.750 163 HD23 LEU 21 2HD2 LEU 21 29.406 -10.857 -2.357 164 H SER 22 H SER 22 28.032 -7.686 -7.389 165 HA SER 22 HA SER 22 29.425 -5.180 -7.736 166 HB2 SER 22 1HB SER 22 28.911 -7.285 -9.408 167 HB3 SER 22 2HB SER 22 27.709 -6.109 -9.939 168 HG SER 22 HG SER 22 30.506 -5.673 -9.716 169 H GLU 23 H GLU 23 26.121 -6.295 -7.450 170 HA GLU 23 HA GLU 23 25.020 -3.707 -8.153 171 HB2 GLU 23 1HB GLU 23 23.545 -6.072 -6.999 172 HB3 GLU 23 2HB GLU 23 22.869 -4.719 -7.896 173 HG2 GLU 23 1HG GLU 23 23.805 -5.471 -9.927 174 HG3 GLU 23 2HG GLU 23 24.833 -6.642 -9.102 175 H LEU 24 H LEU 24 24.928 -5.810 -5.272 176 HA LEU 24 HA LEU 24 23.696 -4.130 -3.497 177 HB2 LEU 24 1HB LEU 24 24.636 -6.531 -3.214 178 HB3 LEU 24 2HB LEU 24 26.087 -5.713 -2.638 179 HG LEU 24 HG LEU 24 23.457 -5.060 -1.385 180 HD11 LEU 24 1HD1 LEU 24 24.967 -7.214 -0.093 181 HD12 LEU 24 2HD1 LEU 24 24.165 -7.673 -1.594 182 HD13 LEU 24 3HD1 LEU 24 23.226 -6.988 -0.268 183 HD21 LEU 24 3HD2 LEU 24 25.876 -4.044 -0.984 184 HD22 LEU 24 1HD2 LEU 24 26.005 -5.439 0.087 185 HD23 LEU 24 2HD2 LEU 24 24.718 -4.257 0.330 186 H THR 25 H THR 25 27.189 -4.286 -4.164 187 HA THR 25 HA THR 25 28.084 -2.359 -2.409 188 HB THR 25 HB THR 25 29.588 -3.743 -3.787 189 HG1 THR 25 HG1 THR 25 30.021 -0.955 -4.203 190 HG21 THR 25 3HG2 THR 25 28.133 -3.226 -5.903 191 HG22 THR 25 1HG2 THR 25 29.867 -3.502 -6.066 192 HG23 THR 25 2HG2 THR 25 29.231 -1.857 -6.077 193 H ASP 26 H ASP 26 26.669 -1.923 -5.617 194 HA ASP 26 HA ASP 26 27.152 0.784 -5.985 195 HB2 ASP 26 1HB ASP 26 24.643 -0.698 -6.795 196 HB3 ASP 26 2HB ASP 26 25.275 0.776 -7.523 197 H ALA 27 H ALA 27 24.944 -0.803 -3.841 198 HA ALA 27 HA ALA 27 23.390 1.589 -3.329 199 HB1 ALA 27 1HB ALA 27 22.972 -1.166 -2.993 200 HB2 ALA 27 2HB ALA 27 22.968 -0.464 -1.375 201 HB3 ALA 27 3HB ALA 27 21.864 0.150 -2.606 202 H LEU 28 H LEU 28 25.366 -0.574 -1.286 203 HA LEU 28 HA LEU 28 25.495 1.115 0.930 204 HB2 LEU 28 1HB LEU 28 27.686 -0.770 0.102 205 HB3 LEU 28 2HB LEU 28 27.248 -0.265 1.733 206 HG LEU 28 HG LEU 28 25.768 -2.165 -0.075 207 HD11 LEU 28 1HD1 LEU 28 26.077 -3.263 2.434 208 HD12 LEU 28 2HD1 LEU 28 27.598 -2.413 2.165 209 HD13 LEU 28 3HD1 LEU 28 27.050 -3.626 1.009 210 HD21 LEU 28 3HD2 LEU 28 24.029 -0.922 0.886 211 HD22 LEU 28 1HD2 LEU 28 24.869 -0.774 2.430 212 HD23 LEU 28 2HD2 LEU 28 24.202 -2.330 1.935 213 H ARG 29 H ARG 29 27.093 1.306 -2.097 214 HA ARG 29 HA ARG 29 29.216 3.029 -1.112 215 HB2 ARG 29 1HB ARG 29 30.145 2.916 -3.270 216 HB3 ARG 29 2HB ARG 29 29.479 1.313 -2.988 217 HG2 ARG 29 1HG ARG 29 28.683 1.648 -5.077 218 HG3 ARG 29 2HG ARG 29 27.371 2.412 -4.178 219 HD2 ARG 29 1HD ARG 29 27.752 4.228 -5.414 220 HD3 ARG 29 2HD ARG 29 29.229 4.435 -4.473 221 HE ARG 29 HE ARG 29 29.715 2.663 -6.604 222 HH11 ARG 29 1HH1 ARG 29 29.096 6.031 -5.981 223 HH12 ARG 29 2HH1 ARG 29 29.965 6.583 -7.374 224 HH21 ARG 29 1HH2 ARG 29 30.862 3.377 -8.442 225 HH22 ARG 29 2HH2 ARG 29 30.968 5.073 -8.774 226 H THR 30 H THR 30 26.066 3.290 -2.465 227 HA THR 30 HA THR 30 26.426 6.051 -3.301 228 HB THR 30 HB THR 30 24.001 4.249 -3.331 229 HG1 THR 30 HG1 THR 30 24.628 3.825 -5.313 230 HG21 THR 30 3HG2 THR 30 23.304 6.567 -2.999 231 HG22 THR 30 1HG2 THR 30 22.899 6.020 -4.625 232 HG23 THR 30 2HG2 THR 30 24.292 7.071 -4.369 233 H LEU 31 H LEU 31 25.098 4.235 -0.636 234 HA LEU 31 HA LEU 31 24.125 6.729 0.585 235 HB2 LEU 31 1HB LEU 31 23.496 4.068 1.747 236 HB3 LEU 31 2HB LEU 31 22.535 5.544 1.726 237 HG LEU 31 HG LEU 31 22.860 3.507 -0.465 238 HD11 LEU 31 1HD1 LEU 31 20.573 3.124 -0.210 239 HD12 LEU 31 2HD1 LEU 31 20.325 4.622 0.687 240 HD13 LEU 31 3HD1 LEU 31 21.168 3.270 1.444 241 HD21 LEU 31 3HD2 LEU 31 21.059 5.698 -1.055 242 HD22 LEU 31 1HD2 LEU 31 22.333 4.984 -2.044 243 HD23 LEU 31 2HD2 LEU 31 22.727 6.245 -0.875 244 H GLY 32 H GLY 32 26.485 4.244 0.804 245 HA2 GLY 32 1HA GLY 32 27.347 5.326 3.417 246 HA3 GLY 32 2HA GLY 32 27.490 3.623 3.008 247 H SER 33 H SER 33 28.239 4.421 0.194 248 HA SER 33 HA SER 33 30.111 4.868 -1.029 249 HB2 SER 33 1HB SER 33 30.059 6.969 0.583 250 HB3 SER 33 2HB SER 33 31.485 6.193 1.272 251 HG SER 33 HG SER 33 31.193 7.516 -1.097 252 H THR 34 H THR 34 29.807 2.493 0.614 253 HA THR 34 HA THR 34 32.495 1.874 1.540 254 HB THR 34 HB THR 34 30.288 1.117 2.675 255 HG1 THR 34 HG1 THR 34 32.661 0.273 2.827 256 HG21 THR 34 3HG2 THR 34 29.557 0.102 0.381 257 HG22 THR 34 1HG2 THR 34 29.185 -0.754 1.877 258 HG23 THR 34 2HG2 THR 34 30.550 -1.265 0.885 259 H SER 35 H SER 35 32.843 -0.729 0.952 260 HA SER 35 HA SER 35 32.837 -0.835 -1.993 261 HB2 SER 35 1HB SER 35 35.039 -1.985 -0.280 262 HB3 SER 35 2HB SER 35 35.048 -1.698 -2.020 263 HG SER 35 HG SER 35 34.693 0.623 -1.258 264 H ALA 36 H ALA 36 33.807 -3.313 -2.430 265 HA ALA 36 HA ALA 36 31.578 -4.970 -1.812 266 HB1 ALA 36 1HB ALA 36 34.077 -6.201 -2.821 267 HB2 ALA 36 2HB ALA 36 32.409 -6.409 -3.359 268 HB3 ALA 36 3HB ALA 36 33.315 -4.971 -3.830 269 H ASP 37 H ASP 37 34.677 -4.451 -0.357 270 HA ASP 37 HA ASP 37 35.114 -6.832 0.987 271 HB2 ASP 37 1HB ASP 37 36.479 -4.575 0.897 272 HB3 ASP 37 2HB ASP 37 35.628 -4.251 2.405 273 H GLU 38 H GLU 38 32.716 -4.402 1.541 274 HA GLU 38 HA GLU 38 31.952 -5.683 4.076 275 HB2 GLU 38 1HB GLU 38 30.824 -3.083 3.083 276 HB3 GLU 38 2HB GLU 38 30.916 -3.685 4.732 277 HG2 GLU 38 1HG GLU 38 33.261 -2.804 3.064 278 HG3 GLU 38 2HG GLU 38 32.477 -1.848 4.320 279 H VAL 39 H VAL 39 31.105 -5.406 0.812 280 HA VAL 39 HA VAL 39 28.275 -5.684 1.052 281 HB VAL 39 HB VAL 39 30.165 -6.179 -1.245 282 HG11 VAL 39 1HG1 VAL 39 27.187 -6.539 -1.087 283 HG12 VAL 39 2HG1 VAL 39 28.012 -6.207 -2.611 284 HG13 VAL 39 3HG1 VAL 39 28.402 -7.663 -1.695 285 HG21 VAL 39 3HG2 VAL 39 29.809 -4.045 -1.827 286 HG22 VAL 39 1HG2 VAL 39 28.083 -4.143 -1.476 287 HG23 VAL 39 2HG2 VAL 39 29.232 -3.837 -0.174 288 H GLN 40 H GLN 40 30.763 -7.999 -0.045 289 HA GLN 40 HA GLN 40 29.169 -10.256 -0.132 290 HB2 GLN 40 1HB GLN 40 31.364 -11.499 0.349 291 HB3 GLN 40 2HB GLN 40 31.303 -10.469 -1.075 292 HG2 GLN 40 1HG GLN 40 32.719 -8.908 -0.182 293 HG3 GLN 40 2HG GLN 40 32.305 -9.325 1.480 294 HE21 GLN 40 2HE2 GLN 40 32.746 -11.947 1.647 295 HE22 GLN 40 1HE2 GLN 40 34.401 -12.325 1.323 296 H ARG 41 H ARG 41 30.428 -8.575 2.610 297 HA ARG 41 HA ARG 41 30.006 -10.778 4.440 298 HB2 ARG 41 1HB ARG 41 30.455 -7.936 5.291 299 HB3 ARG 41 2HB ARG 41 30.947 -9.422 6.092 300 HG2 ARG 41 1HG ARG 41 32.135 -8.256 3.585 301 HG3 ARG 41 2HG ARG 41 32.875 -8.303 5.186 302 HD2 ARG 41 1HD ARG 41 32.150 -10.944 4.598 303 HD3 ARG 41 2HD ARG 41 32.860 -10.302 3.118 304 HE ARG 41 HE ARG 41 34.902 -10.272 4.152 305 HH11 ARG 41 1HH1 ARG 41 32.408 -10.625 6.556 306 HH12 ARG 41 2HH1 ARG 41 33.519 -10.922 7.852 307 HH21 ARG 41 1HH2 ARG 41 36.374 -10.662 5.850 308 HH22 ARG 41 2HH2 ARG 41 35.774 -10.942 7.450 309 H MET 42 H MET 42 28.298 -7.962 3.314 310 HA MET 42 HA MET 42 26.341 -7.997 5.424 311 HB2 MET 42 1HB MET 42 26.792 -5.879 4.420 312 HB3 MET 42 2HB MET 42 26.517 -6.514 2.803 313 HG2 MET 42 1HG MET 42 24.299 -6.255 2.938 314 HG3 MET 42 2HG MET 42 24.236 -6.783 4.618 315 HE1 MET 42 3HE MET 42 26.334 -4.424 6.023 316 HE2 MET 42 1HE MET 42 24.873 -3.686 6.682 317 HE3 MET 42 2HE MET 42 24.992 -5.441 6.552 318 H MET 43 H MET 43 26.463 -9.001 2.026 319 HA MET 43 HA MET 43 23.760 -9.945 2.001 320 HB2 MET 43 1HB MET 43 24.439 -10.973 -0.189 321 HB3 MET 43 2HB MET 43 24.692 -9.236 -0.080 322 HG2 MET 43 1HG MET 43 26.801 -9.521 -0.659 323 HG3 MET 43 2HG MET 43 27.066 -10.467 0.804 324 HE1 MET 43 3HE MET 43 24.616 -11.611 -2.136 325 HE2 MET 43 1HE MET 43 25.821 -10.546 -2.860 326 HE3 MET 43 2HE MET 43 25.814 -12.265 -3.254 327 H ALA 44 H ALA 44 26.828 -11.267 2.881 328 HA ALA 44 HA ALA 44 26.368 -13.999 2.536 329 HB1 ALA 44 1HB ALA 44 28.195 -12.345 4.144 330 HB2 ALA 44 2HB ALA 44 27.922 -13.980 4.745 331 HB3 ALA 44 3HB ALA 44 28.529 -13.733 3.108 332 H GLU 45 H GLU 45 25.267 -11.785 5.008 333 HA GLU 45 HA GLU 45 24.194 -13.965 6.623 334 HB2 GLU 45 1HB GLU 45 23.488 -12.093 8.152 335 HB3 GLU 45 2HB GLU 45 25.222 -12.241 7.905 336 HG2 GLU 45 1HG GLU 45 25.151 -10.413 6.287 337 HG3 GLU 45 2HG GLU 45 23.412 -10.263 6.538 338 H ILE 46 H ILE 46 23.160 -11.467 4.424 339 HA ILE 46 HA ILE 46 20.380 -11.615 5.048 340 HB ILE 46 HB ILE 46 21.784 -10.565 2.590 341 HG12 ILE 46 1HG1 ILE 46 20.504 -9.053 4.873 342 HG13 ILE 46 2HG1 ILE 46 22.224 -9.420 4.792 343 HG21 ILE 46 1HG2 ILE 46 19.647 -9.417 2.116 344 HG22 ILE 46 2HG2 ILE 46 19.523 -11.172 2.013 345 HG23 ILE 46 3HG2 ILE 46 18.898 -10.326 3.428 346 HD11 ILE 46 3HD1 ILE 46 20.745 -7.855 2.695 347 HD12 ILE 46 1HD1 ILE 46 21.607 -7.128 4.051 348 HD13 ILE 46 2HD1 ILE 46 22.489 -8.070 2.848 349 H ASP 47 H ASP 47 22.484 -13.179 2.693 350 HA ASP 47 HA ASP 47 20.558 -14.364 1.068 351 HB2 ASP 47 1HB ASP 47 23.342 -14.459 1.305 352 HB3 ASP 47 2HB ASP 47 22.818 -16.128 1.509 353 H THR 48 H THR 48 18.892 -15.537 1.751 354 HA THR 48 HA THR 48 18.925 -17.041 4.177 355 HB THR 48 HB THR 48 16.901 -17.080 1.929 356 HG1 THR 48 HG1 THR 48 15.765 -15.710 3.538 357 HG21 THR 48 3HG2 THR 48 15.533 -17.700 4.183 358 HG22 THR 48 1HG2 THR 48 17.079 -18.477 4.519 359 HG23 THR 48 2HG2 THR 48 16.179 -18.898 3.062 360 H ASP 49 H ASP 49 19.594 -17.746 0.850 361 HA ASP 49 HA ASP 49 19.805 -20.612 1.503 362 HB2 ASP 49 1HB ASP 49 19.886 -20.574 -1.210 363 HB3 ASP 49 2HB ASP 49 18.408 -20.778 -0.273 364 H GLY 50 H GLY 50 21.538 -17.803 0.767 365 HA2 GLY 50 1HA GLY 50 23.746 -17.393 0.292 366 HA3 GLY 50 2HA GLY 50 24.051 -18.937 1.073 367 H ASP 51 H ASP 51 23.210 -17.436 -2.015 368 HA ASP 51 HA ASP 51 24.584 -19.665 -3.362 369 HB2 ASP 51 1HB ASP 51 22.961 -19.824 -5.020 370 HB3 ASP 51 2HB ASP 51 21.989 -19.533 -3.580 371 H GLY 52 H GLY 52 25.193 -16.759 -2.496 372 HA2 GLY 52 1HA GLY 52 26.826 -15.322 -3.341 373 HA3 GLY 52 2HA GLY 52 26.687 -16.120 -4.901 374 H PHE 53 H PHE 53 23.637 -15.380 -3.797 375 HA PHE 53 HA PHE 53 23.614 -12.659 -4.840 376 HB2 PHE 53 1HB PHE 53 22.081 -14.949 -6.072 377 HB3 PHE 53 2HB PHE 53 21.650 -13.262 -6.330 378 HD1 PHE 53 HD2 PHE 53 24.094 -15.887 -7.035 379 HD2 PHE 53 HD1 PHE 53 23.025 -11.819 -7.689 380 HE1 PHE 53 HE2 PHE 53 25.715 -15.761 -8.881 381 HE2 PHE 53 HE1 PHE 53 24.644 -11.687 -9.537 382 HZ PHE 53 HZ PHE 53 25.993 -13.659 -10.134 383 H ILE 54 H ILE 54 21.840 -11.433 -4.178 384 HA ILE 54 HA ILE 54 20.309 -12.635 -1.978 385 HB ILE 54 HB ILE 54 20.963 -9.756 -2.596 386 HG12 ILE 54 1HG1 ILE 54 22.755 -11.067 -1.535 387 HG13 ILE 54 2HG1 ILE 54 22.128 -9.839 -0.442 388 HG21 ILE 54 1HG2 ILE 54 19.785 -9.821 -0.098 389 HG22 ILE 54 2HG2 ILE 54 19.052 -9.219 -1.584 390 HG23 ILE 54 3HG2 ILE 54 18.766 -10.882 -1.071 391 HD11 ILE 54 3HD1 ILE 54 22.338 -11.693 0.914 392 HD12 ILE 54 1HD1 ILE 54 20.635 -11.737 0.460 393 HD13 ILE 54 2HD1 ILE 54 21.790 -12.802 -0.343 394 H ASP 55 H ASP 55 18.437 -13.420 -2.734 395 HA ASP 55 HA ASP 55 17.032 -12.394 -4.962 396 HB2 ASP 55 1HB ASP 55 15.847 -14.051 -2.732 397 HB3 ASP 55 2HB ASP 55 15.309 -13.959 -4.407 398 H PHE 56 H PHE 56 14.431 -12.123 -4.335 399 HA PHE 56 HA PHE 56 14.382 -9.510 -3.102 400 HB2 PHE 56 1HB PHE 56 13.107 -10.166 -5.209 401 HB3 PHE 56 2HB PHE 56 12.011 -11.051 -4.153 402 HD1 PHE 56 HD1 PHE 56 11.075 -9.635 -2.128 403 HD2 PHE 56 HD2 PHE 56 12.577 -8.004 -5.761 404 HE1 PHE 56 HE1 PHE 56 9.791 -7.574 -1.730 405 HE2 PHE 56 HE2 PHE 56 11.298 -5.940 -5.368 406 HZ PHE 56 HZ PHE 56 9.903 -5.722 -3.350 407 H ASN 57 H ASN 57 13.144 -12.739 -2.428 408 HA ASN 57 HA ASN 57 11.504 -12.100 -0.246 409 HB2 ASN 57 1HB ASN 57 12.719 -14.534 -1.367 410 HB3 ASN 57 2HB ASN 57 12.402 -14.611 0.364 411 HD21 ASN 57 2HD2 ASN 57 10.889 -13.792 -2.722 412 HD22 ASN 57 1HD2 ASN 57 9.302 -14.314 -2.283 413 H GLU 58 H GLU 58 14.733 -13.614 -0.090 414 HA GLU 58 HA GLU 58 15.154 -13.300 2.621 415 HB2 GLU 58 1HB GLU 58 17.615 -13.340 2.028 416 HB3 GLU 58 2HB GLU 58 16.656 -14.675 1.407 417 HG2 GLU 58 1HG GLU 58 16.464 -13.081 -0.694 418 HG3 GLU 58 2HG GLU 58 17.973 -12.449 -0.038 419 H PHE 59 H PHE 59 15.511 -10.969 0.042 420 HA PHE 59 HA PHE 59 17.084 -9.040 1.240 421 HB2 PHE 59 1HB PHE 59 16.063 -9.095 -1.127 422 HB3 PHE 59 2HB PHE 59 14.664 -8.317 -0.396 423 HD1 PHE 59 HD1 PHE 59 18.374 -7.910 -0.241 424 HD2 PHE 59 HD2 PHE 59 14.572 -6.056 -0.711 425 HE1 PHE 59 HE1 PHE 59 19.474 -5.722 -0.478 426 HE2 PHE 59 HE2 PHE 59 15.665 -3.865 -0.950 427 HZ PHE 59 HZ PHE 59 18.120 -3.696 -0.834 428 H ILE 60 H ILE 60 13.610 -9.597 1.590 429 HA ILE 60 HA ILE 60 13.296 -7.366 3.400 430 HB ILE 60 HB ILE 60 11.241 -9.516 3.012 431 HG12 ILE 60 1HG1 ILE 60 11.852 -7.236 1.119 432 HG13 ILE 60 2HG1 ILE 60 11.996 -8.954 0.766 433 HG21 ILE 60 1HG2 ILE 60 10.960 -7.665 4.684 434 HG22 ILE 60 2HG2 ILE 60 10.923 -6.540 3.328 435 HG23 ILE 60 3HG2 ILE 60 9.680 -7.782 3.476 436 HD11 ILE 60 3HD1 ILE 60 9.922 -8.932 0.017 437 HD12 ILE 60 1HD1 ILE 60 9.359 -8.532 1.639 438 HD13 ILE 60 2HD1 ILE 60 9.736 -7.245 0.494 439 H SER 61 H SER 61 13.760 -10.816 3.596 440 HA SER 61 HA SER 61 12.872 -11.369 6.156 441 HB2 SER 61 1HB SER 61 13.599 -13.178 4.776 442 HB3 SER 61 2HB SER 61 15.213 -12.489 4.608 443 HG SER 61 HG SER 61 15.536 -13.909 6.177 444 H PHE 62 H PHE 62 16.052 -10.152 5.145 445 HA PHE 62 HA PHE 62 16.893 -9.844 7.904 446 HB2 PHE 62 1HB PHE 62 18.213 -10.162 5.422 447 HB3 PHE 62 2HB PHE 62 18.677 -8.581 6.042 448 HD1 PHE 62 HD1 PHE 62 18.186 -12.034 7.381 449 HD2 PHE 62 HD2 PHE 62 20.595 -8.526 7.285 450 HE1 PHE 62 HE1 PHE 62 19.806 -13.108 8.890 451 HE2 PHE 62 HE2 PHE 62 22.218 -9.595 8.793 452 HZ PHE 62 HZ PHE 62 21.825 -11.889 9.597 453 H CYS 63 H CYS 63 16.299 -7.739 5.101 454 HA CYS 63 HA CYS 63 16.851 -5.286 6.215 455 HB2 CYS 63 1HB CYS 63 16.328 -5.420 3.888 456 HB3 CYS 63 2HB CYS 63 14.730 -6.077 4.219 457 HG CYS 63 HG CYS 63 14.915 -3.270 3.278 458 H ASN 64 H ASN 64 13.945 -7.244 6.567 459 HA ASN 64 HA ASN 64 12.264 -5.393 7.778 460 HB2 ASN 64 1HB ASN 64 11.502 -7.606 7.056 461 HB3 ASN 64 2HB ASN 64 12.473 -8.364 8.315 462 HD21 ASN 64 2HD2 ASN 64 10.414 -5.490 8.409 463 HD22 ASN 64 1HD2 ASN 64 9.356 -6.076 9.643 464 H ALA 65 H ALA 65 14.891 -7.288 9.127 465 HA ALA 65 HA ALA 65 14.329 -6.743 11.857 466 HB1 ALA 65 1HB ALA 65 16.285 -8.198 10.372 467 HB2 ALA 65 2HB ALA 65 17.099 -7.180 11.561 468 HB3 ALA 65 3HB ALA 65 15.864 -8.327 12.080 469 H ASN 66 H ASN 66 15.651 -4.861 9.338 470 HA ASN 66 HA ASN 66 16.775 -2.948 11.274 471 HB2 ASN 66 1HB ASN 66 17.423 -3.479 8.378 472 HB3 ASN 66 2HB ASN 66 17.916 -1.992 9.184 473 HD21 ASN 66 2HD2 ASN 66 17.862 -5.439 10.040 474 HD22 ASN 66 1HD2 ASN 66 19.509 -5.508 10.557 475 HA PRO 67 HA PRO 67 12.883 -0.994 9.743 476 HB2 PRO 67 1HB PRO 67 12.244 0.114 12.138 477 HB3 PRO 67 2HB PRO 67 11.807 -1.541 11.698 478 HG2 PRO 67 1HG PRO 67 14.084 -0.566 13.379 479 HG3 PRO 67 2HG PRO 67 13.000 -1.943 13.653 480 HD2 PRO 67 1HD PRO 67 15.497 -2.233 12.647 481 HD3 PRO 67 2HD PRO 67 14.156 -3.304 12.196 482 H GLY 68 H GLY 68 15.684 0.163 11.476 483 HA2 GLY 68 1HA GLY 68 15.080 2.955 11.078 484 HA3 GLY 68 2HA GLY 68 16.578 2.290 11.711 485 H LEU 69 H LEU 69 16.548 0.481 9.214 486 HA LEU 69 HA LEU 69 18.037 2.359 7.560 487 HB2 LEU 69 1HB LEU 69 19.018 0.181 8.164 488 HB3 LEU 69 2HB LEU 69 17.713 -0.627 7.299 489 HG LEU 69 HG LEU 69 19.601 1.263 5.922 490 HD11 LEU 69 1HD1 LEU 69 20.102 -1.449 6.904 491 HD12 LEU 69 2HD1 LEU 69 21.232 -0.199 6.383 492 HD13 LEU 69 3HD1 LEU 69 20.435 -1.221 5.187 493 HD21 LEU 69 3HD2 LEU 69 18.807 -0.720 4.191 494 HD22 LEU 69 1HD2 LEU 69 18.117 0.900 4.295 495 HD23 LEU 69 2HD2 LEU 69 17.362 -0.438 5.163 496 H MET 70 H MET 70 15.412 -0.014 7.179 497 HA MET 70 HA MET 70 14.823 0.395 4.512 498 HB2 MET 70 1HB MET 70 12.499 -0.319 5.104 499 HB3 MET 70 2HB MET 70 13.757 -1.382 5.718 500 HG2 MET 70 1HG MET 70 13.515 -0.538 7.920 501 HG3 MET 70 2HG MET 70 12.479 0.776 7.369 502 HE1 MET 70 3HE MET 70 12.642 -2.792 6.218 503 HE2 MET 70 1HE MET 70 12.437 -3.343 7.882 504 HE3 MET 70 2HE MET 70 11.123 -3.536 6.721 505 H LYS 71 H LYS 71 14.259 2.476 7.210 506 HA LYS 71 HA LYS 71 12.280 4.104 5.888 507 HB2 LYS 71 1HB LYS 71 13.810 4.355 8.469 508 HB3 LYS 71 2HB LYS 71 12.787 5.656 7.875 509 HG2 LYS 71 1HG LYS 71 10.895 4.011 7.815 510 HG3 LYS 71 2HG LYS 71 11.953 2.875 8.654 511 HD2 LYS 71 1HD LYS 71 11.662 5.599 9.801 512 HD3 LYS 71 2HD LYS 71 10.296 4.492 9.958 513 HE2 LYS 71 1HE LYS 71 11.577 2.925 11.163 514 HE3 LYS 71 2HE LYS 71 13.095 3.702 10.716 515 HZ1 LYS 71 3HZ LYS 71 11.057 4.647 12.640 516 HZ2 LYS 71 1HZ LYS 71 12.236 5.682 12.007 517 HZ3 LYS 71 2HZ LYS 71 12.696 4.333 12.917 518 H ASP 72 H ASP 72 15.744 4.092 6.289 519 HA ASP 72 HA ASP 72 16.052 6.781 5.252 520 HB2 ASP 72 1HB ASP 72 17.678 4.936 6.714 521 HB3 ASP 72 2HB ASP 72 18.533 5.399 5.245 522 H VAL 73 H VAL 73 16.494 3.461 4.150 523 HA VAL 73 HA VAL 73 17.675 4.132 1.651 524 HB VAL 73 HB VAL 73 17.968 1.909 2.575 525 HG11 VAL 73 1HG1 VAL 73 15.230 1.012 1.954 526 HG12 VAL 73 2HG1 VAL 73 16.314 0.535 3.262 527 HG13 VAL 73 3HG1 VAL 73 15.400 2.039 3.377 528 HG21 VAL 73 3HG2 VAL 73 18.120 2.106 0.172 529 HG22 VAL 73 1HG2 VAL 73 17.365 0.568 0.587 530 HG23 VAL 73 2HG2 VAL 73 16.375 1.910 0.012 531 H ALA 74 H ALA 74 14.368 3.592 2.736 532 HA ALA 74 HA ALA 74 13.237 3.690 0.103 533 HB1 ALA 74 1HB ALA 74 11.686 4.178 2.620 534 HB2 ALA 74 2HB ALA 74 11.165 3.406 1.122 535 HB3 ALA 74 3HB ALA 74 12.272 2.566 2.208 536 H LYS 75 H LYS 75 14.749 6.013 1.744 537 HA LYS 75 HA LYS 75 12.842 8.161 1.229 538 HB2 LYS 75 1HB LYS 75 13.999 9.409 2.733 539 HB3 LYS 75 2HB LYS 75 14.548 7.829 3.276 540 HG2 LYS 75 1HG LYS 75 16.496 8.155 1.648 541 HG3 LYS 75 2HG LYS 75 16.005 9.851 1.615 542 HD2 LYS 75 1HD LYS 75 16.543 10.184 3.841 543 HD3 LYS 75 2HD LYS 75 16.409 8.469 4.236 544 HE2 LYS 75 1HE LYS 75 18.745 9.308 4.227 545 HE3 LYS 75 2HE LYS 75 18.466 7.989 3.092 546 HZ1 LYS 75 3HZ LYS 75 18.543 10.872 2.382 547 HZ2 LYS 75 1HZ LYS 75 18.322 9.589 1.301 548 HZ3 LYS 75 2HZ LYS 75 19.794 9.765 2.115 549 H VAL 76 H VAL 76 15.800 6.812 -0.024 550 HA VAL 76 HA VAL 76 15.731 8.805 -2.192 551 HB VAL 76 HB VAL 76 17.665 9.216 -0.714 552 HG11 VAL 76 1HG1 VAL 76 19.115 6.821 -1.595 553 HG12 VAL 76 2HG1 VAL 76 19.105 7.632 -0.028 554 HG13 VAL 76 3HG1 VAL 76 17.806 6.516 -0.453 555 HG21 VAL 76 3HG2 VAL 76 19.269 8.368 -2.884 556 HG22 VAL 76 1HG2 VAL 76 17.693 8.818 -3.535 557 HG23 VAL 76 2HG2 VAL 76 18.613 9.975 -2.574 558 H PHE 77 H PHE 77 16.348 5.502 -1.200 559 HA PHE 77 HA PHE 77 16.692 4.677 -3.988 560 HB2 PHE 77 1HB PHE 77 17.395 3.507 -1.351 561 HB3 PHE 77 2HB PHE 77 16.977 2.376 -2.633 562 HD1 PHE 77 HD2 PHE 77 18.676 5.619 -3.101 563 HD2 PHE 77 HD1 PHE 77 19.086 1.385 -2.973 564 HE1 PHE 77 HE2 PHE 77 20.953 5.816 -4.012 565 HE2 PHE 77 HE1 PHE 77 21.365 1.574 -3.883 566 HZ PHE 77 HZ PHE 77 22.300 3.792 -4.405 Start of MODEL 19 1 H1 ALA 1 H ALA 1 0.337 -2.312 0.558 2 HA ALA 1 HA ALA 1 1.798 -0.280 -0.994 3 HB1 ALA 1 1HB ALA 1 0.641 -0.211 1.600 4 HB2 ALA 1 2HB ALA 1 2.390 -0.053 1.768 5 HB3 ALA 1 3HB ALA 1 1.497 1.068 0.740 6 H ASP 2 H ASP 2 3.664 -1.023 -1.755 7 HA ASP 2 HA ASP 2 5.402 -2.551 0.053 8 HB2 ASP 2 1HB ASP 2 4.875 -3.218 -2.851 9 HB3 ASP 2 2HB ASP 2 6.102 -3.983 -1.845 10 H ASP 3 H ASP 3 6.998 -1.142 0.419 11 HA ASP 3 HA ASP 3 7.920 0.665 -1.642 12 HB2 ASP 3 1HB ASP 3 7.822 0.819 1.097 13 HB3 ASP 3 2HB ASP 3 9.526 0.475 0.809 14 H MET 4 H MET 4 9.019 -2.264 -0.049 15 HA MET 4 HA MET 4 11.681 -2.285 -0.876 16 HB2 MET 4 1HB MET 4 9.834 -4.655 -0.534 17 HB3 MET 4 2HB MET 4 11.592 -4.715 -0.555 18 HG2 MET 4 1HG MET 4 10.030 -3.132 1.464 19 HG3 MET 4 2HG MET 4 10.502 -4.812 1.707 20 HE1 MET 4 3HE MET 4 13.160 -5.485 2.492 21 HE2 MET 4 1HE MET 4 13.010 -5.374 0.738 22 HE3 MET 4 2HE MET 4 14.374 -4.611 1.556 23 H GLU 5 H GLU 5 8.777 -2.797 -2.669 24 HA GLU 5 HA GLU 5 9.798 -4.328 -4.802 25 HB2 GLU 5 1HB GLU 5 7.428 -4.148 -4.542 26 HB3 GLU 5 2HB GLU 5 7.490 -2.393 -4.636 27 HG2 GLU 5 1HG GLU 5 8.221 -2.567 -6.979 28 HG3 GLU 5 2HG GLU 5 8.074 -4.321 -6.872 29 H ARG 6 H ARG 6 9.198 -0.815 -4.618 30 HA ARG 6 HA ARG 6 10.524 -0.254 -7.065 31 HB2 ARG 6 1HB ARG 6 10.436 2.128 -6.241 32 HB3 ARG 6 2HB ARG 6 8.886 1.302 -6.316 33 HG2 ARG 6 1HG ARG 6 8.801 1.039 -3.971 34 HG3 ARG 6 2HG ARG 6 10.496 1.499 -3.789 35 HD2 ARG 6 1HD ARG 6 8.435 3.369 -4.924 36 HD3 ARG 6 2HD ARG 6 8.743 3.249 -3.192 37 HE ARG 6 HE ARG 6 11.167 3.659 -4.582 38 HH11 ARG 6 1HH1 ARG 6 8.263 5.319 -3.618 39 HH12 ARG 6 2HH1 ARG 6 9.016 6.879 -3.567 40 HH21 ARG 6 1HH2 ARG 6 12.170 5.706 -4.518 41 HH22 ARG 6 2HH2 ARG 6 11.238 7.098 -4.079 42 H ILE 7 H ILE 7 11.533 -0.314 -3.701 43 HA ILE 7 HA ILE 7 14.043 0.948 -4.073 44 HB ILE 7 HB ILE 7 13.135 -0.968 -1.923 45 HG12 ILE 7 1HG1 ILE 7 13.515 1.996 -1.628 46 HG13 ILE 7 2HG1 ILE 7 12.015 1.354 -2.286 47 HG21 ILE 7 1HG2 ILE 7 15.720 0.314 -2.447 48 HG22 ILE 7 2HG2 ILE 7 15.115 0.513 -0.804 49 HG23 ILE 7 3HG2 ILE 7 15.331 -1.104 -1.473 50 HD11 ILE 7 3HD1 ILE 7 13.049 1.316 0.464 51 HD12 ILE 7 1HD1 ILE 7 11.391 1.394 -0.131 52 HD13 ILE 7 2HD1 ILE 7 12.236 -0.153 -0.076 53 H PHE 8 H PHE 8 12.976 -2.409 -4.200 54 HA PHE 8 HA PHE 8 15.496 -3.633 -4.302 55 HB2 PHE 8 1HB PHE 8 13.407 -4.876 -3.923 56 HB3 PHE 8 2HB PHE 8 12.907 -4.542 -5.578 57 HD1 PHE 8 HD2 PHE 8 15.181 -6.466 -3.451 58 HD2 PHE 8 HD1 PHE 8 13.879 -5.722 -7.434 59 HE1 PHE 8 HE2 PHE 8 16.324 -8.511 -4.203 60 HE2 PHE 8 HE1 PHE 8 15.020 -7.766 -8.193 61 HZ PHE 8 HZ PHE 8 16.245 -9.163 -6.577 62 H LYS 9 H LYS 9 13.698 -1.882 -6.680 63 HA LYS 9 HA LYS 9 14.900 -2.908 -9.016 64 HB2 LYS 9 1HB LYS 9 13.928 -0.075 -8.673 65 HB3 LYS 9 2HB LYS 9 13.972 -1.033 -10.147 66 HG2 LYS 9 1HG LYS 9 12.160 -1.430 -7.779 67 HG3 LYS 9 2HG LYS 9 11.708 -0.874 -9.392 68 HD2 LYS 9 1HD LYS 9 12.830 -3.593 -8.714 69 HD3 LYS 9 2HD LYS 9 11.136 -3.233 -9.056 70 HE2 LYS 9 1HE LYS 9 13.479 -3.000 -10.938 71 HE3 LYS 9 2HE LYS 9 12.132 -4.134 -11.040 72 HZ1 LYS 9 3HZ LYS 9 11.622 -2.471 -12.566 73 HZ2 LYS 9 1HZ LYS 9 12.121 -1.222 -11.539 74 HZ3 LYS 9 2HZ LYS 9 10.690 -2.063 -11.214 75 H ARG 10 H ARG 10 16.017 -0.723 -6.589 76 HA ARG 10 HA ARG 10 18.123 0.388 -8.239 77 HB2 ARG 10 1HB ARG 10 17.764 0.646 -5.252 78 HB3 ARG 10 2HB ARG 10 18.741 1.668 -6.298 79 HG2 ARG 10 1HG ARG 10 15.752 1.432 -6.531 80 HG3 ARG 10 2HG ARG 10 16.568 2.659 -5.560 81 HD2 ARG 10 1HD ARG 10 17.333 2.311 -8.422 82 HD3 ARG 10 2HD ARG 10 15.841 3.165 -8.028 83 HE ARG 10 HE ARG 10 17.988 4.186 -6.499 84 HH11 ARG 10 1HH1 ARG 10 16.696 4.174 -9.732 85 HH12 ARG 10 2HH1 ARG 10 17.368 5.716 -10.146 86 HH21 ARG 10 1HH2 ARG 10 18.878 6.217 -7.032 87 HH22 ARG 10 2HH2 ARG 10 18.609 6.877 -8.610 88 H PHE 11 H PHE 11 17.993 -1.592 -5.274 89 HA PHE 11 HA PHE 11 20.701 -2.169 -5.084 90 HB2 PHE 11 1HB PHE 11 18.263 -3.727 -4.237 91 HB3 PHE 11 2HB PHE 11 19.896 -4.284 -3.887 92 HD1 PHE 11 HD1 PHE 11 17.575 -1.437 -3.383 93 HD2 PHE 11 HD2 PHE 11 21.054 -3.482 -2.032 94 HE1 PHE 11 HE1 PHE 11 17.618 -0.025 -1.368 95 HE2 PHE 11 HE2 PHE 11 21.103 -2.075 -0.014 96 HZ PHE 11 HZ PHE 11 19.383 -0.344 0.320 97 H ASP 12 H ASP 12 18.235 -3.592 -7.114 98 HA ASP 12 HA ASP 12 20.024 -5.701 -8.021 99 HB2 ASP 12 1HB ASP 12 17.700 -6.308 -7.688 100 HB3 ASP 12 2HB ASP 12 17.173 -5.022 -8.770 101 H THR 13 H THR 13 21.437 -3.753 -8.731 102 HA THR 13 HA THR 13 20.813 -2.191 -10.950 103 HB THR 13 HB THR 13 23.470 -3.242 -9.981 104 HG1 THR 13 HG1 THR 13 22.647 -0.549 -9.972 105 HG21 THR 13 3HG2 THR 13 22.929 -1.235 -12.172 106 HG22 THR 13 1HG2 THR 13 23.678 -2.819 -12.365 107 HG23 THR 13 2HG2 THR 13 24.508 -1.556 -11.456 108 H ASN 14 H ASN 14 21.528 -5.551 -10.739 109 HA ASN 14 HA ASN 14 22.293 -5.842 -13.507 110 HB2 ASN 14 1HB ASN 14 23.288 -7.413 -12.036 111 HB3 ASN 14 2HB ASN 14 21.745 -7.800 -11.281 112 HD21 ASN 14 2HD2 ASN 14 22.294 -7.464 -14.724 113 HD22 ASN 14 1HD2 ASN 14 22.007 -9.121 -15.123 114 H GLY 15 H GLY 15 19.387 -5.497 -11.843 115 HA2 GLY 15 1HA GLY 15 17.183 -5.867 -12.390 116 HA3 GLY 15 2HA GLY 15 17.730 -5.554 -14.031 117 H ASP 16 H ASP 16 18.470 -8.265 -11.863 118 HA ASP 16 HA ASP 16 17.276 -10.062 -13.873 119 HB2 ASP 16 1HB ASP 16 19.145 -11.302 -13.895 120 HB3 ASP 16 2HB ASP 16 19.922 -9.981 -13.026 121 H GLY 17 H GLY 17 17.146 -8.952 -10.687 122 HA2 GLY 17 1HA GLY 17 15.227 -9.540 -9.346 123 HA3 GLY 17 2HA GLY 17 15.338 -11.172 -9.987 124 H LYS 18 H LYS 18 18.338 -9.786 -9.183 125 HA LYS 18 HA LYS 18 18.321 -10.711 -6.434 126 HB2 LYS 18 1HB LYS 18 20.330 -11.904 -8.339 127 HB3 LYS 18 2HB LYS 18 20.017 -12.359 -6.669 128 HG2 LYS 18 1HG LYS 18 17.803 -13.194 -7.329 129 HG3 LYS 18 2HG LYS 18 18.166 -12.781 -9.006 130 HD2 LYS 18 1HD LYS 18 20.255 -14.388 -7.777 131 HD3 LYS 18 2HD LYS 18 18.686 -15.196 -7.764 132 HE2 LYS 18 1HE LYS 18 18.784 -14.156 -10.293 133 HE3 LYS 18 2HE LYS 18 20.471 -14.577 -9.999 134 HZ1 LYS 18 3HZ LYS 18 19.587 -16.812 -9.265 135 HZ2 LYS 18 1HZ LYS 18 19.497 -16.478 -10.921 136 HZ3 LYS 18 2HZ LYS 18 18.111 -16.361 -9.958 137 H ILE 19 H ILE 19 20.301 -10.160 -5.286 138 HA ILE 19 HA ILE 19 21.719 -7.916 -6.566 139 HB ILE 19 HB ILE 19 21.555 -8.184 -3.594 140 HG12 ILE 19 1HG1 ILE 19 19.239 -8.389 -4.265 141 HG13 ILE 19 2HG1 ILE 19 19.504 -6.768 -3.631 142 HG21 ILE 19 1HG2 ILE 19 22.188 -6.099 -5.591 143 HG22 ILE 19 2HG2 ILE 19 21.370 -5.570 -4.122 144 HG23 ILE 19 3HG2 ILE 19 22.912 -6.420 -4.015 145 HD11 ILE 19 3HD1 ILE 19 19.966 -6.703 -6.425 146 HD12 ILE 19 1HD1 ILE 19 18.440 -7.538 -6.135 147 HD13 ILE 19 2HD1 ILE 19 18.692 -5.913 -5.496 148 H SER 20 H SER 20 23.791 -8.274 -6.962 149 HA SER 20 HA SER 20 25.188 -10.358 -5.433 150 HB2 SER 20 1HB SER 20 24.990 -10.064 -8.138 151 HB3 SER 20 2HB SER 20 26.516 -9.239 -7.818 152 HG SER 20 HG SER 20 27.180 -11.266 -7.971 153 H LEU 21 H LEU 21 27.795 -9.686 -5.898 154 HA LEU 21 HA LEU 21 28.228 -7.660 -3.944 155 HB2 LEU 21 1HB LEU 21 30.372 -8.700 -5.753 156 HB3 LEU 21 2HB LEU 21 30.484 -8.209 -4.064 157 HG LEU 21 HG LEU 21 29.312 -10.760 -5.159 158 HD11 LEU 21 1HD1 LEU 21 31.227 -11.742 -4.576 159 HD12 LEU 21 2HD1 LEU 21 31.306 -10.876 -3.042 160 HD13 LEU 21 3HD1 LEU 21 31.903 -10.114 -4.516 161 HD21 LEU 21 3HD2 LEU 21 27.988 -10.846 -3.379 162 HD22 LEU 21 1HD2 LEU 21 28.650 -9.335 -2.755 163 HD23 LEU 21 2HD2 LEU 21 29.430 -10.867 -2.362 164 H SER 22 H SER 22 28.041 -7.690 -7.390 165 HA SER 22 HA SER 22 29.442 -5.187 -7.740 166 HB2 SER 22 1HB SER 22 28.921 -7.294 -9.411 167 HB3 SER 22 2HB SER 22 27.725 -6.112 -9.943 168 HG SER 22 HG SER 22 29.650 -4.616 -9.902 169 H GLU 23 H GLU 23 26.136 -6.299 -7.456 170 HA GLU 23 HA GLU 23 25.039 -3.708 -8.156 171 HB2 GLU 23 1HB GLU 23 23.560 -6.073 -7.006 172 HB3 GLU 23 2HB GLU 23 22.887 -4.719 -7.902 173 HG2 GLU 23 1HG GLU 23 23.820 -5.470 -9.933 174 HG3 GLU 23 2HG GLU 23 24.850 -6.640 -9.111 175 H LEU 24 H LEU 24 24.946 -5.815 -5.278 176 HA LEU 24 HA LEU 24 23.714 -4.137 -3.501 177 HB2 LEU 24 1HB LEU 24 24.652 -6.538 -3.220 178 HB3 LEU 24 2HB LEU 24 26.104 -5.721 -2.645 179 HG LEU 24 HG LEU 24 23.478 -5.064 -1.388 180 HD11 LEU 24 1HD1 LEU 24 24.978 -7.224 -0.097 181 HD12 LEU 24 2HD1 LEU 24 24.182 -7.680 -1.603 182 HD13 LEU 24 3HD1 LEU 24 23.239 -6.996 -0.279 183 HD21 LEU 24 3HD2 LEU 24 25.905 -4.062 -0.988 184 HD22 LEU 24 1HD2 LEU 24 26.023 -5.457 0.085 185 HD23 LEU 24 2HD2 LEU 24 24.744 -4.266 0.325 186 H THR 25 H THR 25 27.206 -4.292 -4.167 187 HA THR 25 HA THR 25 28.101 -2.366 -2.410 188 HB THR 25 HB THR 25 29.605 -3.748 -3.786 189 HG1 THR 25 HG1 THR 25 30.974 -2.220 -3.300 190 HG21 THR 25 3HG2 THR 25 28.151 -3.230 -5.904 191 HG22 THR 25 1HG2 THR 25 29.884 -3.509 -6.066 192 HG23 THR 25 2HG2 THR 25 29.251 -1.863 -6.077 193 H ASP 26 H ASP 26 26.684 -1.929 -5.616 194 HA ASP 26 HA ASP 26 27.169 0.779 -5.983 195 HB2 ASP 26 1HB ASP 26 24.662 -0.706 -6.797 196 HB3 ASP 26 2HB ASP 26 25.292 0.771 -7.522 197 H ALA 27 H ALA 27 24.960 -0.810 -3.842 198 HA ALA 27 HA ALA 27 23.403 1.580 -3.331 199 HB1 ALA 27 1HB ALA 27 22.989 -1.178 -2.994 200 HB2 ALA 27 2HB ALA 27 22.977 -0.471 -1.378 201 HB3 ALA 27 3HB ALA 27 21.877 0.138 -2.614 202 H LEU 28 H LEU 28 25.384 -0.582 -1.290 203 HA LEU 28 HA LEU 28 25.508 1.105 0.929 204 HB2 LEU 28 1HB LEU 28 27.702 -0.775 0.100 205 HB3 LEU 28 2HB LEU 28 27.261 -0.274 1.731 206 HG LEU 28 HG LEU 28 25.787 -2.173 -0.082 207 HD11 LEU 28 1HD1 LEU 28 26.094 -3.277 2.424 208 HD12 LEU 28 2HD1 LEU 28 27.613 -2.421 2.163 209 HD13 LEU 28 3HD1 LEU 28 27.073 -3.633 1.001 210 HD21 LEU 28 3HD2 LEU 28 24.062 -0.895 0.893 211 HD22 LEU 28 1HD2 LEU 28 24.887 -0.826 2.451 212 HD23 LEU 28 2HD2 LEU 28 24.197 -2.347 1.885 213 H ARG 29 H ARG 29 27.106 1.302 -2.098 214 HA ARG 29 HA ARG 29 29.227 3.027 -1.110 215 HB2 ARG 29 1HB ARG 29 30.156 2.919 -3.269 216 HB3 ARG 29 2HB ARG 29 29.495 1.314 -2.987 217 HG2 ARG 29 1HG ARG 29 28.697 1.644 -5.075 218 HG3 ARG 29 2HG ARG 29 27.383 2.406 -4.176 219 HD2 ARG 29 1HD ARG 29 27.760 4.211 -5.433 220 HD3 ARG 29 2HD ARG 29 29.217 4.441 -4.466 221 HE ARG 29 HE ARG 29 29.769 2.665 -6.576 222 HH11 ARG 29 1HH1 ARG 29 29.077 6.027 -5.994 223 HH12 ARG 29 2HH1 ARG 29 29.960 6.583 -7.378 224 HH21 ARG 29 1HH2 ARG 29 30.934 3.384 -8.401 225 HH22 ARG 29 2HH2 ARG 29 31.014 5.078 -8.747 226 H THR 30 H THR 30 26.077 3.284 -2.467 227 HA THR 30 HA THR 30 26.433 6.046 -3.300 228 HB THR 30 HB THR 30 24.009 4.241 -3.331 229 HG1 THR 30 HG1 THR 30 24.383 4.300 -5.579 230 HG21 THR 30 3HG2 THR 30 23.312 6.560 -2.999 231 HG22 THR 30 1HG2 THR 30 22.906 6.011 -4.625 232 HG23 THR 30 2HG2 THR 30 24.299 7.063 -4.372 233 H LEU 31 H LEU 31 25.107 4.227 -0.636 234 HA LEU 31 HA LEU 31 24.131 6.719 0.586 235 HB2 LEU 31 1HB LEU 31 23.505 4.055 1.744 236 HB3 LEU 31 2HB LEU 31 22.542 5.532 1.728 237 HG LEU 31 HG LEU 31 22.865 3.498 -0.466 238 HD11 LEU 31 1HD1 LEU 31 20.475 3.302 -0.287 239 HD12 LEU 31 2HD1 LEU 31 20.416 4.610 0.893 240 HD13 LEU 31 3HD1 LEU 31 21.192 3.082 1.309 241 HD21 LEU 31 3HD2 LEU 31 21.068 5.692 -1.055 242 HD22 LEU 31 1HD2 LEU 31 22.341 4.978 -2.044 243 HD23 LEU 31 2HD2 LEU 31 22.736 6.237 -0.874 244 H GLY 32 H GLY 32 26.497 4.242 0.801 245 HA2 GLY 32 1HA GLY 32 27.356 5.321 3.416 246 HA3 GLY 32 2HA GLY 32 27.501 3.618 3.006 247 H SER 33 H SER 33 28.250 4.417 0.193 248 HA SER 33 HA SER 33 30.121 4.870 -1.030 249 HB2 SER 33 1HB SER 33 30.069 6.982 0.527 250 HB3 SER 33 2HB SER 33 31.445 6.203 1.308 251 HG SER 33 HG SER 33 32.126 7.590 -0.361 252 H THR 34 H THR 34 29.817 2.494 0.619 253 HA THR 34 HA THR 34 32.507 1.874 1.537 254 HB THR 34 HB THR 34 30.302 1.117 2.676 255 HG1 THR 34 HG1 THR 34 31.684 -0.113 3.690 256 HG21 THR 34 3HG2 THR 34 29.571 0.099 0.382 257 HG22 THR 34 1HG2 THR 34 29.196 -0.752 1.880 258 HG23 THR 34 2HG2 THR 34 30.562 -1.268 0.891 259 H SER 35 H SER 35 32.857 -0.728 0.949 260 HA SER 35 HA SER 35 32.847 -0.832 -1.996 261 HB2 SER 35 1HB SER 35 35.048 -1.910 -0.224 262 HB3 SER 35 2HB SER 35 35.052 -1.795 -1.983 263 HG SER 35 HG SER 35 34.973 0.495 -1.730 264 H ALA 36 H ALA 36 33.820 -3.316 -2.426 265 HA ALA 36 HA ALA 36 31.582 -4.967 -1.806 266 HB1 ALA 36 1HB ALA 36 33.644 -6.602 -2.773 267 HB2 ALA 36 2HB ALA 36 32.297 -5.916 -3.681 268 HB3 ALA 36 3HB ALA 36 33.829 -5.049 -3.588 269 H ASP 37 H ASP 37 34.686 -4.451 -0.365 270 HA ASP 37 HA ASP 37 35.142 -6.837 0.962 271 HB2 ASP 37 1HB ASP 37 36.469 -4.542 0.890 272 HB3 ASP 37 2HB ASP 37 35.642 -4.283 2.424 273 H GLU 38 H GLU 38 32.732 -4.422 1.548 274 HA GLU 38 HA GLU 38 31.983 -5.731 4.072 275 HB2 GLU 38 1HB GLU 38 30.835 -3.131 3.097 276 HB3 GLU 38 2HB GLU 38 30.927 -3.746 4.741 277 HG2 GLU 38 1HG GLU 38 33.275 -2.845 3.088 278 HG3 GLU 38 2HG GLU 38 32.478 -1.893 4.339 279 H VAL 39 H VAL 39 31.107 -5.393 0.810 280 HA VAL 39 HA VAL 39 28.287 -5.704 1.052 281 HB VAL 39 HB VAL 39 30.178 -6.187 -1.246 282 HG11 VAL 39 1HG1 VAL 39 27.202 -6.562 -1.088 283 HG12 VAL 39 2HG1 VAL 39 28.023 -6.220 -2.612 284 HG13 VAL 39 3HG1 VAL 39 28.423 -7.677 -1.702 285 HG21 VAL 39 3HG2 VAL 39 29.811 -4.054 -1.826 286 HG22 VAL 39 1HG2 VAL 39 28.086 -4.159 -1.470 287 HG23 VAL 39 2HG2 VAL 39 29.238 -3.851 -0.171 288 H GLN 40 H GLN 40 30.778 -8.010 -0.058 289 HA GLN 40 HA GLN 40 29.193 -10.271 -0.150 290 HB2 GLN 40 1HB GLN 40 31.391 -11.509 0.333 291 HB3 GLN 40 2HB GLN 40 31.329 -10.476 -1.089 292 HG2 GLN 40 1HG GLN 40 32.740 -8.914 -0.191 293 HG3 GLN 40 2HG GLN 40 32.322 -9.332 1.470 294 HE21 GLN 40 2HE2 GLN 40 32.768 -11.955 1.635 295 HE22 GLN 40 1HE2 GLN 40 34.425 -12.329 1.318 296 H ARG 41 H ARG 41 30.450 -8.598 2.600 297 HA ARG 41 HA ARG 41 30.021 -10.806 4.421 298 HB2 ARG 41 1HB ARG 41 30.473 -7.976 5.300 299 HB3 ARG 41 2HB ARG 41 30.981 -9.472 6.072 300 HG2 ARG 41 1HG ARG 41 32.136 -8.272 3.563 301 HG3 ARG 41 2HG ARG 41 32.889 -8.310 5.159 302 HD2 ARG 41 1HD ARG 41 32.144 -10.962 4.482 303 HD3 ARG 41 2HD ARG 41 32.982 -10.266 3.095 304 HE ARG 41 HE ARG 41 34.112 -10.915 5.667 305 HH11 ARG 41 1HH1 ARG 41 34.455 -9.044 2.751 306 HH12 ARG 41 2HH1 ARG 41 36.170 -8.860 2.916 307 HH21 ARG 41 1HH2 ARG 41 36.369 -10.679 5.895 308 HH22 ARG 41 2HH2 ARG 41 37.258 -9.791 4.704 309 H MET 42 H MET 42 28.335 -7.961 3.324 310 HA MET 42 HA MET 42 26.375 -8.000 5.427 311 HB2 MET 42 1HB MET 42 26.840 -5.883 4.422 312 HB3 MET 42 2HB MET 42 26.549 -6.515 2.807 313 HG2 MET 42 1HG MET 42 24.336 -6.232 2.957 314 HG3 MET 42 2HG MET 42 24.278 -6.775 4.632 315 HE1 MET 42 3HE MET 42 26.386 -4.503 6.063 316 HE2 MET 42 1HE MET 42 24.968 -3.678 6.711 317 HE3 MET 42 2HE MET 42 24.988 -5.438 6.597 318 H MET 43 H MET 43 26.501 -9.016 2.036 319 HA MET 43 HA MET 43 23.789 -9.942 2.008 320 HB2 MET 43 1HB MET 43 24.464 -10.971 -0.183 321 HB3 MET 43 2HB MET 43 24.723 -9.235 -0.073 322 HG2 MET 43 1HG MET 43 26.830 -9.527 -0.653 323 HG3 MET 43 2HG MET 43 27.092 -10.476 0.809 324 HE1 MET 43 3HE MET 43 24.638 -11.612 -2.135 325 HE2 MET 43 1HE MET 43 25.845 -10.544 -2.851 326 HE3 MET 43 2HE MET 43 25.839 -12.262 -3.253 327 H ALA 44 H ALA 44 26.858 -11.282 2.869 328 HA ALA 44 HA ALA 44 26.384 -14.010 2.527 329 HB1 ALA 44 1HB ALA 44 28.215 -12.367 4.149 330 HB2 ALA 44 2HB ALA 44 27.943 -14.012 4.726 331 HB3 ALA 44 3HB ALA 44 28.550 -13.739 3.092 332 H GLU 45 H GLU 45 25.287 -11.794 4.997 333 HA GLU 45 HA GLU 45 24.213 -13.970 6.615 334 HB2 GLU 45 1HB GLU 45 23.508 -12.095 8.141 335 HB3 GLU 45 2HB GLU 45 25.242 -12.247 7.896 336 HG2 GLU 45 1HG GLU 45 25.173 -10.422 6.273 337 HG3 GLU 45 2HG GLU 45 23.436 -10.266 6.526 338 H ILE 46 H ILE 46 23.174 -11.439 4.445 339 HA ILE 46 HA ILE 46 20.397 -11.595 5.060 340 HB ILE 46 HB ILE 46 21.802 -10.549 2.600 341 HG12 ILE 46 1HG1 ILE 46 20.526 -9.039 4.887 342 HG13 ILE 46 2HG1 ILE 46 22.246 -9.399 4.795 343 HG21 ILE 46 1HG2 ILE 46 19.665 -9.396 2.128 344 HG22 ILE 46 2HG2 ILE 46 19.544 -11.151 2.017 345 HG23 ILE 46 3HG2 ILE 46 18.916 -10.313 3.435 346 HD11 ILE 46 3HD1 ILE 46 20.728 -7.814 2.739 347 HD12 ILE 46 1HD1 ILE 46 21.661 -7.115 4.063 348 HD13 ILE 46 2HD1 ILE 46 22.472 -8.065 2.817 349 H ASP 47 H ASP 47 22.492 -13.164 2.699 350 HA ASP 47 HA ASP 47 20.558 -14.346 1.082 351 HB2 ASP 47 1HB ASP 47 23.339 -14.437 1.296 352 HB3 ASP 47 2HB ASP 47 22.826 -16.106 1.524 353 H THR 48 H THR 48 18.893 -15.516 1.774 354 HA THR 48 HA THR 48 18.929 -17.016 4.201 355 HB THR 48 HB THR 48 16.908 -17.067 1.951 356 HG1 THR 48 HG1 THR 48 17.170 -15.500 4.303 357 HG21 THR 48 3HG2 THR 48 15.559 -17.677 4.235 358 HG22 THR 48 1HG2 THR 48 17.101 -18.483 4.519 359 HG23 THR 48 2HG2 THR 48 16.156 -18.867 3.080 360 H ASP 49 H ASP 49 19.596 -17.733 0.874 361 HA ASP 49 HA ASP 49 19.821 -20.595 1.541 362 HB2 ASP 49 1HB ASP 49 19.890 -20.579 -1.169 363 HB3 ASP 49 2HB ASP 49 18.413 -20.768 -0.228 364 H GLY 50 H GLY 50 21.538 -17.782 0.780 365 HA2 GLY 50 1HA GLY 50 23.744 -17.365 0.298 366 HA3 GLY 50 2HA GLY 50 24.058 -18.905 1.086 367 H ASP 51 H ASP 51 23.194 -17.424 -2.007 368 HA ASP 51 HA ASP 51 24.569 -19.656 -3.349 369 HB2 ASP 51 1HB ASP 51 22.947 -19.805 -5.015 370 HB3 ASP 51 2HB ASP 51 21.982 -19.541 -3.565 371 H GLY 52 H GLY 52 25.219 -16.772 -2.489 372 HA2 GLY 52 1HA GLY 52 26.840 -15.333 -3.345 373 HA3 GLY 52 2HA GLY 52 26.695 -16.135 -4.902 374 H PHE 53 H PHE 53 23.648 -15.385 -3.797 375 HA PHE 53 HA PHE 53 23.630 -12.665 -4.840 376 HB2 PHE 53 1HB PHE 53 22.093 -14.951 -6.077 377 HB3 PHE 53 2HB PHE 53 21.673 -13.261 -6.338 378 HD1 PHE 53 HD2 PHE 53 24.109 -15.898 -7.025 379 HD2 PHE 53 HD1 PHE 53 23.055 -11.830 -7.699 380 HE1 PHE 53 HE2 PHE 53 25.739 -15.784 -8.865 381 HE2 PHE 53 HE1 PHE 53 24.682 -11.710 -9.541 382 HZ PHE 53 HZ PHE 53 26.028 -13.688 -10.125 383 H ILE 54 H ILE 54 21.859 -11.437 -4.176 384 HA ILE 54 HA ILE 54 20.323 -12.639 -1.981 385 HB ILE 54 HB ILE 54 20.968 -9.759 -2.602 386 HG12 ILE 54 1HG1 ILE 54 22.769 -11.064 -1.548 387 HG13 ILE 54 2HG1 ILE 54 22.144 -9.835 -0.455 388 HG21 ILE 54 1HG2 ILE 54 19.798 -9.842 -0.096 389 HG22 ILE 54 2HG2 ILE 54 19.066 -9.222 -1.575 390 HG23 ILE 54 3HG2 ILE 54 18.776 -10.889 -1.080 391 HD11 ILE 54 3HD1 ILE 54 22.376 -11.695 0.897 392 HD12 ILE 54 1HD1 ILE 54 20.665 -11.725 0.469 393 HD13 ILE 54 2HD1 ILE 54 21.798 -12.799 -0.351 394 H ASP 55 H ASP 55 18.453 -13.427 -2.738 395 HA ASP 55 HA ASP 55 17.050 -12.407 -4.969 396 HB2 ASP 55 1HB ASP 55 15.858 -14.058 -2.740 397 HB3 ASP 55 2HB ASP 55 15.331 -13.974 -4.418 398 H PHE 56 H PHE 56 14.449 -12.134 -4.350 399 HA PHE 56 HA PHE 56 14.396 -9.520 -3.119 400 HB2 PHE 56 1HB PHE 56 13.126 -10.180 -5.229 401 HB3 PHE 56 2HB PHE 56 12.027 -11.062 -4.173 402 HD1 PHE 56 HD1 PHE 56 11.096 -9.636 -2.148 403 HD2 PHE 56 HD2 PHE 56 12.592 -8.024 -5.793 404 HE1 PHE 56 HE1 PHE 56 9.814 -7.572 -1.758 405 HE2 PHE 56 HE2 PHE 56 11.313 -5.958 -5.407 406 HZ PHE 56 HZ PHE 56 9.923 -5.729 -3.388 407 H ASN 57 H ASN 57 13.186 -12.755 -2.435 408 HA ASN 57 HA ASN 57 11.530 -12.112 -0.260 409 HB2 ASN 57 1HB ASN 57 12.752 -14.549 -1.373 410 HB3 ASN 57 2HB ASN 57 12.417 -14.623 0.354 411 HD21 ASN 57 2HD2 ASN 57 10.941 -13.825 -2.753 412 HD22 ASN 57 1HD2 ASN 57 9.347 -14.337 -2.327 413 H GLU 58 H GLU 58 14.759 -13.628 -0.102 414 HA GLU 58 HA GLU 58 15.179 -13.317 2.610 415 HB2 GLU 58 1HB GLU 58 17.641 -13.350 2.015 416 HB3 GLU 58 2HB GLU 58 16.683 -14.689 1.399 417 HG2 GLU 58 1HG GLU 58 16.485 -13.108 -0.708 418 HG3 GLU 58 2HG GLU 58 17.987 -12.458 -0.054 419 H PHE 59 H PHE 59 15.533 -10.981 0.035 420 HA PHE 59 HA PHE 59 17.105 -9.052 1.237 421 HB2 PHE 59 1HB PHE 59 16.088 -9.106 -1.132 422 HB3 PHE 59 2HB PHE 59 14.686 -8.329 -0.402 423 HD1 PHE 59 HD1 PHE 59 18.395 -7.918 -0.226 424 HD2 PHE 59 HD2 PHE 59 14.594 -6.070 -0.729 425 HE1 PHE 59 HE1 PHE 59 19.494 -5.729 -0.459 426 HE2 PHE 59 HE2 PHE 59 15.687 -3.878 -0.963 427 HZ PHE 59 HZ PHE 59 18.140 -3.706 -0.829 428 H ILE 60 H ILE 60 13.631 -9.615 1.583 429 HA ILE 60 HA ILE 60 13.311 -7.385 3.394 430 HB ILE 60 HB ILE 60 11.261 -9.540 3.002 431 HG12 ILE 60 1HG1 ILE 60 11.867 -7.255 1.112 432 HG13 ILE 60 2HG1 ILE 60 12.018 -8.973 0.757 433 HG21 ILE 60 1HG2 ILE 60 10.970 -7.697 4.676 434 HG22 ILE 60 2HG2 ILE 60 10.940 -6.565 3.325 435 HG23 ILE 60 3HG2 ILE 60 9.696 -7.807 3.463 436 HD11 ILE 60 3HD1 ILE 60 9.944 -8.956 0.006 437 HD12 ILE 60 1HD1 ILE 60 9.379 -8.561 1.629 438 HD13 ILE 60 2HD1 ILE 60 9.752 -7.270 0.486 439 H SER 61 H SER 61 13.784 -10.834 3.589 440 HA SER 61 HA SER 61 12.894 -11.390 6.147 441 HB2 SER 61 1HB SER 61 13.626 -13.199 4.772 442 HB3 SER 61 2HB SER 61 15.238 -12.503 4.599 443 HG SER 61 HG SER 61 15.787 -13.460 6.377 444 H PHE 62 H PHE 62 16.071 -10.164 5.141 445 HA PHE 62 HA PHE 62 16.909 -9.855 7.901 446 HB2 PHE 62 1HB PHE 62 18.232 -10.166 5.420 447 HB3 PHE 62 2HB PHE 62 18.690 -8.584 6.041 448 HD1 PHE 62 HD1 PHE 62 18.200 -12.031 7.395 449 HD2 PHE 62 HD2 PHE 62 20.617 -8.530 7.268 450 HE1 PHE 62 HE1 PHE 62 19.822 -13.100 8.905 451 HE2 PHE 62 HE2 PHE 62 22.243 -9.593 8.777 452 HZ PHE 62 HZ PHE 62 21.848 -11.882 9.597 453 H CYS 63 H CYS 63 16.312 -7.748 5.100 454 HA CYS 63 HA CYS 63 16.853 -5.295 6.217 455 HB2 CYS 63 1HB CYS 63 16.336 -5.424 3.890 456 HB3 CYS 63 2HB CYS 63 14.741 -6.093 4.215 457 HG CYS 63 HG CYS 63 15.729 -2.887 4.896 458 H ASN 64 H ASN 64 13.957 -7.267 6.567 459 HA ASN 64 HA ASN 64 12.264 -5.424 7.773 460 HB2 ASN 64 1HB ASN 64 11.521 -7.646 7.052 461 HB3 ASN 64 2HB ASN 64 12.489 -8.393 8.320 462 HD21 ASN 64 2HD2 ASN 64 10.422 -5.525 8.401 463 HD22 ASN 64 1HD2 ASN 64 9.357 -6.113 9.627 464 H ALA 65 H ALA 65 14.902 -7.301 9.128 465 HA ALA 65 HA ALA 65 14.334 -6.761 11.856 466 HB1 ALA 65 1HB ALA 65 16.306 -8.194 10.371 467 HB2 ALA 65 2HB ALA 65 17.109 -7.168 11.561 468 HB3 ALA 65 3HB ALA 65 15.887 -8.328 12.079 469 H ASN 66 H ASN 66 15.650 -4.868 9.338 470 HA ASN 66 HA ASN 66 16.741 -2.940 11.279 471 HB2 ASN 66 1HB ASN 66 17.416 -3.468 8.388 472 HB3 ASN 66 2HB ASN 66 17.891 -1.978 9.198 473 HD21 ASN 66 2HD2 ASN 66 17.859 -5.428 10.042 474 HD22 ASN 66 1HD2 ASN 66 19.501 -5.484 10.576 475 HA PRO 67 HA PRO 67 12.843 -1.027 9.715 476 HB2 PRO 67 1HB PRO 67 12.177 0.084 12.101 477 HB3 PRO 67 2HB PRO 67 11.758 -1.576 11.664 478 HG2 PRO 67 1HG PRO 67 14.016 -0.575 13.356 479 HG3 PRO 67 2HG PRO 67 12.943 -1.960 13.628 480 HD2 PRO 67 1HD PRO 67 15.449 -2.231 12.640 481 HD3 PRO 67 2HD PRO 67 14.120 -3.316 12.184 482 H GLY 68 H GLY 68 15.619 0.164 11.467 483 HA2 GLY 68 1HA GLY 68 14.992 2.949 11.055 484 HA3 GLY 68 2HA GLY 68 16.493 2.299 11.697 485 H LEU 69 H LEU 69 16.495 0.483 9.206 486 HA LEU 69 HA LEU 69 17.975 2.371 7.554 487 HB2 LEU 69 1HB LEU 69 18.972 0.201 8.169 488 HB3 LEU 69 2HB LEU 69 17.677 -0.619 7.298 489 HG LEU 69 HG LEU 69 19.556 1.285 5.927 490 HD11 LEU 69 1HD1 LEU 69 20.073 -1.425 6.913 491 HD12 LEU 69 2HD1 LEU 69 21.197 -0.162 6.410 492 HD13 LEU 69 3HD1 LEU 69 20.424 -1.187 5.201 493 HD21 LEU 69 3HD2 LEU 69 18.789 -0.714 4.199 494 HD22 LEU 69 1HD2 LEU 69 18.088 0.902 4.291 495 HD23 LEU 69 2HD2 LEU 69 17.336 -0.435 5.161 496 H MET 70 H MET 70 15.375 -0.029 7.162 497 HA MET 70 HA MET 70 14.797 0.374 4.492 498 HB2 MET 70 1HB MET 70 12.477 -0.365 5.072 499 HB3 MET 70 2HB MET 70 13.744 -1.416 5.689 500 HG2 MET 70 1HG MET 70 13.486 -0.573 7.893 501 HG3 MET 70 2HG MET 70 12.430 0.724 7.336 502 HE1 MET 70 3HE MET 70 12.652 -2.840 6.184 503 HE2 MET 70 1HE MET 70 12.453 -3.395 7.847 504 HE3 MET 70 2HE MET 70 11.145 -3.609 6.684 505 H LYS 71 H LYS 71 14.200 2.450 7.186 506 HA LYS 71 HA LYS 71 12.207 4.054 5.858 507 HB2 LYS 71 1HB LYS 71 13.725 4.316 8.443 508 HB3 LYS 71 2HB LYS 71 12.702 5.616 7.845 509 HG2 LYS 71 1HG LYS 71 10.821 3.943 7.764 510 HG3 LYS 71 2HG LYS 71 11.880 2.838 8.644 511 HD2 LYS 71 1HD LYS 71 11.563 5.574 9.741 512 HD3 LYS 71 2HD LYS 71 10.177 4.488 9.871 513 HE2 LYS 71 1HE LYS 71 11.551 2.837 11.005 514 HE3 LYS 71 2HE LYS 71 12.974 3.860 10.814 515 HZ1 LYS 71 3HZ LYS 71 11.970 4.011 13.037 516 HZ2 LYS 71 1HZ LYS 71 10.549 4.619 12.350 517 HZ3 LYS 71 2HZ LYS 71 11.986 5.502 12.238 518 H ASP 72 H ASP 72 15.669 4.077 6.258 519 HA ASP 72 HA ASP 72 15.948 6.769 5.218 520 HB2 ASP 72 1HB ASP 72 17.590 4.953 6.696 521 HB3 ASP 72 2HB ASP 72 18.445 5.413 5.226 522 H VAL 73 H VAL 73 16.463 3.450 4.134 523 HA VAL 73 HA VAL 73 17.639 4.123 1.639 524 HB VAL 73 HB VAL 73 17.942 1.905 2.570 525 HG11 VAL 73 1HG1 VAL 73 15.210 0.992 1.937 526 HG12 VAL 73 2HG1 VAL 73 16.293 0.517 3.246 527 HG13 VAL 73 3HG1 VAL 73 15.373 2.018 3.362 528 HG21 VAL 73 3HG2 VAL 73 18.103 2.101 0.165 529 HG22 VAL 73 1HG2 VAL 73 17.367 0.554 0.583 530 HG23 VAL 73 2HG2 VAL 73 16.361 1.880 0.000 531 H ALA 74 H ALA 74 14.328 3.555 2.700 532 HA ALA 74 HA ALA 74 13.217 3.644 0.059 533 HB1 ALA 74 1HB ALA 74 11.631 4.125 2.552 534 HB2 ALA 74 2HB ALA 74 11.146 3.324 1.057 535 HB3 ALA 74 3HB ALA 74 12.251 2.518 2.170 536 H LYS 75 H LYS 75 14.694 5.980 1.712 537 HA LYS 75 HA LYS 75 12.771 8.110 1.184 538 HB2 LYS 75 1HB LYS 75 13.899 9.362 2.703 539 HB3 LYS 75 2HB LYS 75 14.474 7.789 3.240 540 HG2 LYS 75 1HG LYS 75 16.423 8.156 1.625 541 HG3 LYS 75 2HG LYS 75 15.900 9.842 1.589 542 HD2 LYS 75 1HD LYS 75 16.470 10.206 3.786 543 HD3 LYS 75 2HD LYS 75 16.275 8.508 4.229 544 HE2 LYS 75 1HE LYS 75 18.616 9.088 4.281 545 HE3 LYS 75 2HE LYS 75 18.318 7.977 2.944 546 HZ1 LYS 75 3HZ LYS 75 19.353 10.626 2.883 547 HZ2 LYS 75 1HZ LYS 75 17.995 10.488 1.882 548 HZ3 LYS 75 2HZ LYS 75 19.319 9.460 1.657 549 H VAL 76 H VAL 76 15.754 6.791 -0.045 550 HA VAL 76 HA VAL 76 15.682 8.784 -2.214 551 HB VAL 76 HB VAL 76 17.601 9.210 -0.717 552 HG11 VAL 76 1HG1 VAL 76 19.081 6.834 -1.600 553 HG12 VAL 76 2HG1 VAL 76 19.052 7.638 -0.029 554 HG13 VAL 76 3HG1 VAL 76 17.768 6.510 -0.468 555 HG21 VAL 76 3HG2 VAL 76 19.241 8.407 -2.866 556 HG22 VAL 76 1HG2 VAL 76 17.661 8.801 -3.544 557 HG23 VAL 76 2HG2 VAL 76 18.528 9.994 -2.577 558 H PHE 77 H PHE 77 16.319 5.487 -1.218 559 HA PHE 77 HA PHE 77 16.698 4.665 -4.003 560 HB2 PHE 77 1HB PHE 77 17.388 3.507 -1.359 561 HB3 PHE 77 2HB PHE 77 16.978 2.365 -2.635 562 HD1 PHE 77 HD2 PHE 77 18.677 5.612 -3.100 563 HD2 PHE 77 HD1 PHE 77 19.085 1.377 -2.979 564 HE1 PHE 77 HE2 PHE 77 20.957 5.809 -4.004 565 HE2 PHE 77 HE1 PHE 77 21.366 1.567 -3.881 566 HZ PHE 77 HZ PHE 77 22.305 3.785 -4.396 Start of MODEL 20 1 H1 ALA 1 H ALA 1 0.300 -3.104 -2.954 2 HA ALA 1 HA ALA 1 2.418 -1.335 -3.298 3 HB1 ALA 1 1HB ALA 1 0.707 -0.242 -2.308 4 HB2 ALA 1 2HB ALA 1 0.226 -1.640 -1.345 5 HB3 ALA 1 3HB ALA 1 1.593 -0.649 -0.838 6 H ASP 2 H ASP 2 4.494 -1.709 -2.897 7 HA ASP 2 HA ASP 2 5.312 -2.574 -0.257 8 HB2 ASP 2 1HB ASP 2 5.684 -4.248 -2.708 9 HB3 ASP 2 2HB ASP 2 6.948 -4.243 -1.481 10 H ASP 3 H ASP 3 6.608 -0.926 0.233 11 HA ASP 3 HA ASP 3 7.985 0.710 -1.541 12 HB2 ASP 3 1HB ASP 3 9.455 1.197 0.536 13 HB3 ASP 3 2HB ASP 3 7.737 1.578 0.614 14 H MET 4 H MET 4 8.867 -2.375 -0.182 15 HA MET 4 HA MET 4 11.637 -2.281 -0.717 16 HB2 MET 4 1HB MET 4 9.777 -4.655 -0.522 17 HB3 MET 4 2HB MET 4 11.532 -4.753 -0.534 18 HG2 MET 4 1HG MET 4 9.961 -3.236 1.530 19 HG3 MET 4 2HG MET 4 10.471 -4.912 1.718 20 HE1 MET 4 3HE MET 4 13.262 -5.507 2.462 21 HE2 MET 4 1HE MET 4 12.927 -5.407 0.733 22 HE3 MET 4 2HE MET 4 14.330 -4.579 1.409 23 H GLU 5 H GLU 5 8.881 -2.791 -2.730 24 HA GLU 5 HA GLU 5 10.143 -4.209 -4.833 25 HB2 GLU 5 1HB GLU 5 7.724 -4.169 -4.632 26 HB3 GLU 5 2HB GLU 5 7.704 -2.424 -4.844 27 HG2 GLU 5 1HG GLU 5 8.430 -2.629 -7.115 28 HG3 GLU 5 2HG GLU 5 8.678 -4.363 -6.926 29 H ARG 6 H ARG 6 9.182 -0.775 -4.651 30 HA ARG 6 HA ARG 6 10.468 0.057 -6.976 31 HB2 ARG 6 1HB ARG 6 10.468 2.341 -5.844 32 HB3 ARG 6 2HB ARG 6 8.909 1.546 -6.020 33 HG2 ARG 6 1HG ARG 6 8.874 0.929 -3.723 34 HG3 ARG 6 2HG ARG 6 10.550 1.438 -3.503 35 HD2 ARG 6 1HD ARG 6 9.880 3.495 -3.007 36 HD3 ARG 6 2HD ARG 6 9.070 3.624 -4.568 37 HE ARG 6 HE ARG 6 7.850 3.081 -2.013 38 HH11 ARG 6 1HH1 ARG 6 7.529 2.854 -5.472 39 HH12 ARG 6 2HH1 ARG 6 5.798 2.776 -5.437 40 HH21 ARG 6 1HH2 ARG 6 5.572 2.979 -1.954 41 HH22 ARG 6 2HH2 ARG 6 4.686 2.848 -3.435 42 H ILE 7 H ILE 7 11.675 -0.173 -3.663 43 HA ILE 7 HA ILE 7 14.197 1.028 -4.207 44 HB ILE 7 HB ILE 7 13.357 -0.794 -1.950 45 HG12 ILE 7 1HG1 ILE 7 13.862 2.133 -1.651 46 HG13 ILE 7 2HG1 ILE 7 12.351 1.621 -2.394 47 HG21 ILE 7 1HG2 ILE 7 15.931 0.482 -2.625 48 HG22 ILE 7 2HG2 ILE 7 15.416 0.602 -0.944 49 HG23 ILE 7 3HG2 ILE 7 15.596 -0.982 -1.700 50 HD11 ILE 7 3HD1 ILE 7 13.246 1.449 0.396 51 HD12 ILE 7 1HD1 ILE 7 11.625 1.631 -0.274 52 HD13 ILE 7 2HD1 ILE 7 12.382 0.039 -0.216 53 H PHE 8 H PHE 8 12.982 -2.270 -4.245 54 HA PHE 8 HA PHE 8 15.401 -3.654 -4.367 55 HB2 PHE 8 1HB PHE 8 13.374 -4.880 -4.033 56 HB3 PHE 8 2HB PHE 8 12.693 -4.287 -5.544 57 HD1 PHE 8 HD1 PHE 8 15.352 -6.436 -4.125 58 HD2 PHE 8 HD2 PHE 8 13.035 -5.438 -7.553 59 HE1 PHE 8 HE1 PHE 8 16.226 -8.420 -5.289 60 HE2 PHE 8 HE2 PHE 8 13.905 -7.420 -8.722 61 HZ PHE 8 HZ PHE 8 15.502 -8.915 -7.590 62 H LYS 9 H LYS 9 13.680 -1.852 -6.802 63 HA LYS 9 HA LYS 9 14.925 -2.891 -9.098 64 HB2 LYS 9 1HB LYS 9 14.030 -0.031 -8.773 65 HB3 LYS 9 2HB LYS 9 14.085 -0.986 -10.249 66 HG2 LYS 9 1HG LYS 9 12.197 -1.330 -7.932 67 HG3 LYS 9 2HG LYS 9 11.808 -0.768 -9.559 68 HD2 LYS 9 1HD LYS 9 12.835 -3.514 -8.842 69 HD3 LYS 9 2HD LYS 9 11.161 -3.110 -9.230 70 HE2 LYS 9 1HE LYS 9 13.549 -2.890 -11.059 71 HE3 LYS 9 2HE LYS 9 12.238 -4.063 -11.171 72 HZ1 LYS 9 3HZ LYS 9 12.255 -1.222 -11.873 73 HZ2 LYS 9 1HZ LYS 9 10.810 -1.883 -11.294 74 HZ3 LYS 9 2HZ LYS 9 11.540 -2.528 -12.676 75 H ARG 10 H ARG 10 16.051 -0.745 -6.642 76 HA ARG 10 HA ARG 10 18.223 0.313 -8.237 77 HB2 ARG 10 1HB ARG 10 17.906 0.547 -5.249 78 HB3 ARG 10 2HB ARG 10 18.803 1.606 -6.329 79 HG2 ARG 10 1HG ARG 10 15.809 1.286 -6.345 80 HG3 ARG 10 2HG ARG 10 16.683 2.581 -5.524 81 HD2 ARG 10 1HD ARG 10 17.185 2.088 -8.423 82 HD3 ARG 10 2HD ARG 10 15.716 2.932 -7.936 83 HE ARG 10 HE ARG 10 17.932 4.101 -6.658 84 HH11 ARG 10 1HH1 ARG 10 16.484 3.804 -9.810 85 HH12 ARG 10 2HH1 ARG 10 17.109 5.315 -10.383 86 HH21 ARG 10 1HH2 ARG 10 18.761 6.092 -7.401 87 HH22 ARG 10 2HH2 ARG 10 18.405 6.615 -9.013 88 H PHE 11 H PHE 11 17.969 -1.711 -5.311 89 HA PHE 11 HA PHE 11 20.659 -2.368 -5.080 90 HB2 PHE 11 1HB PHE 11 18.148 -3.814 -4.266 91 HB3 PHE 11 2HB PHE 11 19.740 -4.490 -3.941 92 HD1 PHE 11 HD1 PHE 11 17.693 -1.435 -3.403 93 HD2 PHE 11 HD2 PHE 11 20.888 -3.885 -2.023 94 HE1 PHE 11 HE1 PHE 11 17.842 -0.081 -1.353 95 HE2 PHE 11 HE2 PHE 11 21.042 -2.536 0.029 96 HZ PHE 11 HZ PHE 11 19.517 -0.632 0.366 97 H ASP 12 H ASP 12 18.211 -3.625 -7.214 98 HA ASP 12 HA ASP 12 19.960 -5.786 -8.112 99 HB2 ASP 12 1HB ASP 12 17.622 -6.362 -7.765 100 HB3 ASP 12 2HB ASP 12 17.114 -5.081 -8.861 101 H THR 13 H THR 13 21.366 -3.807 -8.798 102 HA THR 13 HA THR 13 20.733 -2.243 -11.014 103 HB THR 13 HB THR 13 23.409 -3.276 -10.069 104 HG1 THR 13 HG1 THR 13 22.786 -1.801 -8.623 105 HG21 THR 13 3HG2 THR 13 22.810 -1.204 -12.184 106 HG22 THR 13 1HG2 THR 13 23.592 -2.765 -12.437 107 HG23 THR 13 2HG2 THR 13 24.402 -1.516 -11.491 108 H ASN 14 H ASN 14 21.470 -5.596 -10.812 109 HA ASN 14 HA ASN 14 22.248 -5.865 -13.582 110 HB2 ASN 14 1HB ASN 14 23.277 -7.422 -12.123 111 HB3 ASN 14 2HB ASN 14 21.746 -7.836 -11.357 112 HD21 ASN 14 2HD2 ASN 14 22.274 -7.489 -14.804 113 HD22 ASN 14 1HD2 ASN 14 22.008 -9.149 -15.202 114 H GLY 15 H GLY 15 19.341 -5.577 -11.909 115 HA2 GLY 15 1HA GLY 15 17.142 -5.984 -12.452 116 HA3 GLY 15 2HA GLY 15 17.679 -5.660 -14.094 117 H ASP 16 H ASP 16 18.462 -8.359 -11.924 118 HA ASP 16 HA ASP 16 17.306 -10.175 -13.938 119 HB2 ASP 16 1HB ASP 16 19.193 -11.388 -13.948 120 HB3 ASP 16 2HB ASP 16 19.945 -10.052 -13.082 121 H GLY 17 H GLY 17 17.148 -9.069 -10.750 122 HA2 GLY 17 1HA GLY 17 15.233 -9.684 -9.417 123 HA3 GLY 17 2HA GLY 17 15.366 -11.313 -10.061 124 H LYS 18 H LYS 18 18.331 -9.851 -9.220 125 HA LYS 18 HA LYS 18 18.318 -10.816 -6.485 126 HB2 LYS 18 1HB LYS 18 20.376 -11.925 -8.388 127 HB3 LYS 18 2HB LYS 18 20.065 -12.410 -6.727 128 HG2 LYS 18 1HG LYS 18 17.864 -13.279 -7.429 129 HG3 LYS 18 2HG LYS 18 18.268 -12.871 -9.098 130 HD2 LYS 18 1HD LYS 18 20.343 -14.434 -7.781 131 HD3 LYS 18 2HD LYS 18 18.789 -15.269 -7.838 132 HE2 LYS 18 1HE LYS 18 18.934 -14.277 -10.355 133 HE3 LYS 18 2HE LYS 18 20.640 -14.553 -10.010 134 HZ1 LYS 18 3HZ LYS 18 20.297 -16.814 -9.720 135 HZ2 LYS 18 1HZ LYS 18 19.291 -16.449 -11.030 136 HZ3 LYS 18 2HZ LYS 18 18.629 -16.649 -9.486 137 H ILE 19 H ILE 19 20.373 -10.312 -5.362 138 HA ILE 19 HA ILE 19 21.716 -7.992 -6.589 139 HB ILE 19 HB ILE 19 21.466 -8.287 -3.619 140 HG12 ILE 19 1HG1 ILE 19 19.178 -8.448 -4.366 141 HG13 ILE 19 2HG1 ILE 19 19.441 -6.824 -3.740 142 HG21 ILE 19 1HG2 ILE 19 22.361 -6.274 -5.532 143 HG22 ILE 19 2HG2 ILE 19 21.287 -5.637 -4.288 144 HG23 ILE 19 3HG2 ILE 19 22.766 -6.480 -3.828 145 HD11 ILE 19 3HD1 ILE 19 20.016 -6.750 -6.496 146 HD12 ILE 19 1HD1 ILE 19 18.501 -7.629 -6.298 147 HD13 ILE 19 2HD1 ILE 19 18.670 -6.003 -5.637 148 H SER 20 H SER 20 23.794 -8.333 -6.968 149 HA SER 20 HA SER 20 25.208 -10.376 -5.401 150 HB2 SER 20 1HB SER 20 26.716 -9.403 -7.659 151 HB3 SER 20 2HB SER 20 26.131 -11.035 -7.334 152 HG SER 20 HG SER 20 25.328 -9.827 -9.288 153 H LEU 21 H LEU 21 27.805 -9.679 -5.812 154 HA LEU 21 HA LEU 21 28.175 -7.612 -3.889 155 HB2 LEU 21 1HB LEU 21 30.372 -8.650 -5.631 156 HB3 LEU 21 2HB LEU 21 30.435 -8.143 -3.944 157 HG LEU 21 HG LEU 21 29.311 -10.716 -5.041 158 HD11 LEU 21 1HD1 LEU 21 31.228 -11.674 -4.428 159 HD12 LEU 21 2HD1 LEU 21 31.276 -10.801 -2.896 160 HD13 LEU 21 3HD1 LEU 21 31.887 -10.039 -4.365 161 HD21 LEU 21 3HD2 LEU 21 27.965 -10.799 -3.277 162 HD22 LEU 21 1HD2 LEU 21 28.605 -9.277 -2.656 163 HD23 LEU 21 2HD2 LEU 21 29.393 -10.800 -2.242 164 H SER 22 H SER 22 27.977 -7.677 -7.316 165 HA SER 22 HA SER 22 29.391 -5.180 -7.698 166 HB2 SER 22 1HB SER 22 28.921 -7.308 -9.341 167 HB3 SER 22 2HB SER 22 27.690 -6.172 -9.893 168 HG SER 22 HG SER 22 29.264 -5.280 -10.951 169 H GLU 23 H GLU 23 26.081 -6.315 -7.469 170 HA GLU 23 HA GLU 23 24.983 -3.733 -8.194 171 HB2 GLU 23 1HB GLU 23 23.524 -6.128 -7.077 172 HB3 GLU 23 2HB GLU 23 22.824 -4.759 -7.929 173 HG2 GLU 23 1HG GLU 23 23.721 -5.442 -9.988 174 HG3 GLU 23 2HG GLU 23 24.821 -6.586 -9.220 175 H LEU 24 H LEU 24 24.921 -5.817 -5.302 176 HA LEU 24 HA LEU 24 23.624 -4.148 -3.551 177 HB2 LEU 24 1HB LEU 24 24.606 -6.535 -3.250 178 HB3 LEU 24 2HB LEU 24 26.027 -5.684 -2.648 179 HG LEU 24 HG LEU 24 23.362 -5.081 -1.449 180 HD11 LEU 24 1HD1 LEU 24 24.881 -7.203 -0.118 181 HD12 LEU 24 2HD1 LEU 24 24.128 -7.682 -1.638 182 HD13 LEU 24 3HD1 LEU 24 23.141 -7.013 -0.338 183 HD21 LEU 24 3HD2 LEU 24 25.758 -4.025 -1.003 184 HD22 LEU 24 1HD2 LEU 24 25.882 -5.412 0.080 185 HD23 LEU 24 2HD2 LEU 24 24.573 -4.247 0.286 186 H THR 25 H THR 25 27.130 -4.264 -4.159 187 HA THR 25 HA THR 25 27.977 -2.315 -2.411 188 HB THR 25 HB THR 25 29.533 -3.662 -3.740 189 HG1 THR 25 HG1 THR 25 30.339 -1.720 -2.889 190 HG21 THR 25 3HG2 THR 25 28.097 -3.329 -5.873 191 HG22 THR 25 1HG2 THR 25 29.849 -3.439 -6.035 192 HG23 THR 25 2HG2 THR 25 29.056 -1.865 -6.092 193 H ASP 26 H ASP 26 26.620 -1.905 -5.652 194 HA ASP 26 HA ASP 26 27.056 0.812 -6.003 195 HB2 ASP 26 1HB ASP 26 24.607 -0.734 -6.877 196 HB3 ASP 26 2HB ASP 26 25.201 0.769 -7.577 197 H ALA 27 H ALA 27 24.841 -0.820 -3.906 198 HA ALA 27 HA ALA 27 23.213 1.530 -3.436 199 HB1 ALA 27 1HB ALA 27 22.808 -1.201 -3.152 200 HB2 ALA 27 2HB ALA 27 22.875 -0.590 -1.498 201 HB3 ALA 27 3HB ALA 27 21.717 0.088 -2.643 202 H LEU 28 H LEU 28 25.169 -0.571 -1.310 203 HA LEU 28 HA LEU 28 25.223 1.136 0.884 204 HB2 LEU 28 1HB LEU 28 27.489 -0.681 0.113 205 HB3 LEU 28 2HB LEU 28 26.994 -0.188 1.731 206 HG LEU 28 HG LEU 28 25.607 -2.129 -0.108 207 HD11 LEU 28 1HD1 LEU 28 25.935 -3.214 2.418 208 HD12 LEU 28 2HD1 LEU 28 27.440 -2.343 2.122 209 HD13 LEU 28 3HD1 LEU 28 26.896 -3.574 0.983 210 HD21 LEU 28 3HD2 LEU 28 23.762 -1.123 0.805 211 HD22 LEU 28 1HD2 LEU 28 24.611 -0.644 2.275 212 HD23 LEU 28 2HD2 LEU 28 24.118 -2.323 2.049 213 H ARG 29 H ARG 29 26.945 1.300 -2.097 214 HA ARG 29 HA ARG 29 28.975 3.104 -1.085 215 HB2 ARG 29 1HB ARG 29 29.941 3.014 -3.229 216 HB3 ARG 29 2HB ARG 29 29.312 1.395 -2.954 217 HG2 ARG 29 1HG ARG 29 28.542 1.703 -5.056 218 HG3 ARG 29 2HG ARG 29 27.196 2.434 -4.180 219 HD2 ARG 29 1HD ARG 29 27.568 4.178 -5.552 220 HD3 ARG 29 2HD ARG 29 28.856 4.556 -4.409 221 HE ARG 29 HE ARG 29 30.065 2.905 -6.177 222 HH11 ARG 29 1HH1 ARG 29 28.169 5.805 -6.521 223 HH12 ARG 29 2HH1 ARG 29 28.978 6.318 -7.965 224 HH21 ARG 29 1HH2 ARG 29 31.137 3.570 -8.077 225 HH22 ARG 29 2HH2 ARG 29 30.665 5.046 -8.850 226 H THR 30 H THR 30 25.843 3.287 -2.496 227 HA THR 30 HA THR 30 26.155 6.064 -3.309 228 HB THR 30 HB THR 30 23.804 4.175 -3.455 229 HG1 THR 30 HG1 THR 30 25.640 4.007 -4.973 230 HG21 THR 30 3HG2 THR 30 22.779 6.266 -3.167 231 HG22 THR 30 1HG2 THR 30 22.843 6.053 -4.915 232 HG23 THR 30 2HG2 THR 30 24.012 7.100 -4.111 233 H LEU 31 H LEU 31 24.900 4.203 -0.665 234 HA LEU 31 HA LEU 31 23.668 6.604 0.498 235 HB2 LEU 31 1HB LEU 31 23.417 3.838 1.617 236 HB3 LEU 31 2HB LEU 31 22.347 5.220 1.835 237 HG LEU 31 HG LEU 31 22.603 3.448 -0.586 238 HD11 LEU 31 1HD1 LEU 31 20.528 2.648 -0.064 239 HD12 LEU 31 2HD1 LEU 31 20.058 4.109 0.804 240 HD13 LEU 31 3HD1 LEU 31 21.157 2.952 1.555 241 HD21 LEU 31 3HD2 LEU 31 20.956 5.959 -0.304 242 HD22 LEU 31 1HD2 LEU 31 21.004 4.877 -1.696 243 HD23 LEU 31 2HD2 LEU 31 22.432 5.817 -1.261 244 H GLY 32 H GLY 32 26.321 4.436 0.786 245 HA2 GLY 32 1HA GLY 32 27.130 5.819 3.265 246 HA3 GLY 32 2HA GLY 32 27.327 4.081 3.092 247 H SER 33 H SER 33 28.041 4.409 0.215 248 HA SER 33 HA SER 33 29.857 4.849 -1.111 249 HB2 SER 33 1HB SER 33 29.861 7.046 0.439 250 HB3 SER 33 2HB SER 33 31.370 6.315 0.985 251 HG SER 33 HG SER 33 31.997 6.227 -1.242 252 H THR 34 H THR 34 29.587 2.583 0.634 253 HA THR 34 HA THR 34 32.242 2.022 1.658 254 HB THR 34 HB THR 34 30.015 1.238 2.710 255 HG1 THR 34 HG1 THR 34 32.359 0.438 3.009 256 HG21 THR 34 3HG2 THR 34 29.355 0.214 0.409 257 HG22 THR 34 1HG2 THR 34 28.964 -0.660 1.889 258 HG23 THR 34 2HG2 THR 34 30.360 -1.140 0.924 259 H SER 35 H SER 35 32.663 -0.587 1.132 260 HA SER 35 HA SER 35 32.822 -0.730 -1.808 261 HB2 SER 35 1HB SER 35 34.929 -1.472 0.231 262 HB3 SER 35 2HB SER 35 35.019 -1.917 -1.473 263 HG SER 35 HG SER 35 34.649 0.518 -1.726 264 H ALA 36 H ALA 36 33.524 -3.095 -2.433 265 HA ALA 36 HA ALA 36 31.382 -4.787 -1.753 266 HB1 ALA 36 1HB ALA 36 33.766 -6.125 -2.807 267 HB2 ALA 36 2HB ALA 36 32.119 -6.071 -3.437 268 HB3 ALA 36 3HB ALA 36 33.228 -4.736 -3.751 269 H ASP 37 H ASP 37 34.501 -4.315 -0.332 270 HA ASP 37 HA ASP 37 35.006 -6.714 0.922 271 HB2 ASP 37 1HB ASP 37 35.485 -3.878 1.823 272 HB3 ASP 37 2HB ASP 37 36.033 -5.262 2.765 273 H GLU 38 H GLU 38 32.629 -4.278 1.725 274 HA GLU 38 HA GLU 38 31.875 -5.743 4.148 275 HB2 GLU 38 1HB GLU 38 30.608 -3.178 3.235 276 HB3 GLU 38 2HB GLU 38 30.742 -3.822 4.865 277 HG2 GLU 38 1HG GLU 38 33.008 -2.739 3.207 278 HG3 GLU 38 2HG GLU 38 32.203 -1.906 4.535 279 H VAL 39 H VAL 39 30.882 -5.152 0.905 280 HA VAL 39 HA VAL 39 28.121 -5.636 1.117 281 HB VAL 39 HB VAL 39 30.047 -6.044 -1.165 282 HG11 VAL 39 1HG1 VAL 39 27.080 -6.516 -1.063 283 HG12 VAL 39 2HG1 VAL 39 27.936 -6.178 -2.569 284 HG13 VAL 39 3HG1 VAL 39 28.345 -7.610 -1.622 285 HG21 VAL 39 3HG2 VAL 39 29.575 -3.932 -1.763 286 HG22 VAL 39 1HG2 VAL 39 27.864 -4.100 -1.370 287 HG23 VAL 39 2HG2 VAL 39 29.032 -3.752 -0.095 288 H GLN 40 H GLN 40 30.686 -7.879 0.048 289 HA GLN 40 HA GLN 40 29.161 -10.176 -0.104 290 HB2 GLN 40 1HB GLN 40 31.365 -11.368 0.438 291 HB3 GLN 40 2HB GLN 40 31.335 -10.316 -0.970 292 HG2 GLN 40 1HG GLN 40 32.699 -8.758 -0.014 293 HG3 GLN 40 2HG GLN 40 32.197 -9.164 1.626 294 HE21 GLN 40 2HE2 GLN 40 32.651 -11.797 1.811 295 HE22 GLN 40 1HE2 GLN 40 34.329 -12.151 1.597 296 H ARG 41 H ARG 41 30.308 -8.498 2.696 297 HA ARG 41 HA ARG 41 29.852 -10.725 4.489 298 HB2 ARG 41 1HB ARG 41 30.315 -7.856 5.283 299 HB3 ARG 41 2HB ARG 41 30.635 -9.308 6.222 300 HG2 ARG 41 1HG ARG 41 32.446 -9.909 4.724 301 HG3 ARG 41 2HG ARG 41 32.102 -8.499 3.720 302 HD2 ARG 41 1HD ARG 41 32.971 -7.029 5.245 303 HD3 ARG 41 2HD ARG 41 32.613 -8.076 6.618 304 HE ARG 41 HE ARG 41 35.004 -8.070 5.013 305 HH11 ARG 41 1HH1 ARG 41 32.994 -9.908 7.181 306 HH12 ARG 41 2HH1 ARG 41 34.274 -10.962 7.684 307 HH21 ARG 41 1HH2 ARG 41 36.698 -9.451 5.667 308 HH22 ARG 41 2HH2 ARG 41 36.381 -10.700 6.823 309 H MET 42 H MET 42 28.203 -7.817 3.444 310 HA MET 42 HA MET 42 26.178 -7.905 5.461 311 HB2 MET 42 1HB MET 42 26.633 -5.790 4.452 312 HB3 MET 42 2HB MET 42 26.395 -6.438 2.834 313 HG2 MET 42 1HG MET 42 24.173 -6.194 2.924 314 HG3 MET 42 2HG MET 42 24.081 -6.711 4.606 315 HE1 MET 42 3HE MET 42 26.110 -4.469 6.058 316 HE2 MET 42 1HE MET 42 24.728 -3.533 6.628 317 HE3 MET 42 2HE MET 42 24.646 -5.294 6.593 318 H MET 43 H MET 43 26.409 -8.979 2.097 319 HA MET 43 HA MET 43 23.701 -9.934 2.021 320 HB2 MET 43 1HB MET 43 24.429 -10.961 -0.153 321 HB3 MET 43 2HB MET 43 24.655 -9.220 -0.048 322 HG2 MET 43 1HG MET 43 26.770 -9.489 -0.616 323 HG3 MET 43 2HG MET 43 27.035 -10.387 0.877 324 HE1 MET 43 3HE MET 43 24.634 -11.633 -2.026 325 HE2 MET 43 1HE MET 43 25.846 -10.627 -2.821 326 HE3 MET 43 2HE MET 43 25.819 -12.367 -3.108 327 H ALA 44 H ALA 44 26.801 -11.233 2.881 328 HA ALA 44 HA ALA 44 26.360 -13.964 2.565 329 HB1 ALA 44 1HB ALA 44 28.187 -12.281 4.118 330 HB2 ALA 44 2HB ALA 44 27.899 -13.879 4.806 331 HB3 ALA 44 3HB ALA 44 28.509 -13.726 3.159 332 H GLU 45 H GLU 45 25.204 -11.749 5.002 333 HA GLU 45 HA GLU 45 24.171 -13.928 6.644 334 HB2 GLU 45 1HB GLU 45 23.417 -12.056 8.143 335 HB3 GLU 45 2HB GLU 45 25.155 -12.157 7.900 336 HG2 GLU 45 1HG GLU 45 25.028 -10.356 6.252 337 HG3 GLU 45 2HG GLU 45 23.287 -10.249 6.510 338 H ILE 46 H ILE 46 23.074 -11.410 4.472 339 HA ILE 46 HA ILE 46 20.302 -11.655 5.060 340 HB ILE 46 HB ILE 46 21.683 -10.569 2.604 341 HG12 ILE 46 1HG1 ILE 46 20.372 -9.070 4.875 342 HG13 ILE 46 2HG1 ILE 46 22.095 -9.429 4.826 343 HG21 ILE 46 1HG2 ILE 46 19.523 -9.464 2.137 344 HG22 ILE 46 2HG2 ILE 46 19.430 -11.222 2.039 345 HG23 ILE 46 3HG2 ILE 46 18.797 -10.384 3.456 346 HD11 ILE 46 3HD1 ILE 46 20.641 -7.873 2.705 347 HD12 ILE 46 1HD1 ILE 46 21.493 -7.145 4.067 348 HD13 ILE 46 2HD1 ILE 46 22.383 -8.091 2.874 349 H ASP 47 H ASP 47 22.480 -13.227 2.799 350 HA ASP 47 HA ASP 47 20.610 -14.431 1.112 351 HB2 ASP 47 1HB ASP 47 23.394 -14.516 1.461 352 HB3 ASP 47 2HB ASP 47 22.855 -16.185 1.615 353 H THR 48 H THR 48 18.935 -15.612 1.757 354 HA THR 48 HA THR 48 18.898 -17.087 4.198 355 HB THR 48 HB THR 48 16.967 -17.150 1.870 356 HG1 THR 48 HG1 THR 48 17.261 -15.533 4.141 357 HG21 THR 48 3HG2 THR 48 15.579 -17.828 4.146 358 HG22 THR 48 1HG2 THR 48 17.108 -18.682 4.352 359 HG23 THR 48 2HG2 THR 48 16.133 -18.955 2.908 360 H ASP 49 H ASP 49 19.639 -17.846 0.885 361 HA ASP 49 HA ASP 49 19.921 -20.688 1.613 362 HB2 ASP 49 1HB ASP 49 20.017 -20.723 -1.097 363 HB3 ASP 49 2HB ASP 49 18.537 -20.930 -0.165 364 H GLY 50 H GLY 50 21.583 -17.854 0.808 365 HA2 GLY 50 1HA GLY 50 23.788 -17.399 0.362 366 HA3 GLY 50 2HA GLY 50 24.124 -18.934 1.149 367 H ASP 51 H ASP 51 23.254 -17.464 -1.947 368 HA ASP 51 HA ASP 51 24.667 -19.677 -3.283 369 HB2 ASP 51 1HB ASP 51 23.058 -19.845 -4.952 370 HB3 ASP 51 2HB ASP 51 22.071 -19.549 -3.523 371 H GLY 52 H GLY 52 25.217 -16.744 -2.414 372 HA2 GLY 52 1HA GLY 52 26.871 -15.312 -3.242 373 HA3 GLY 52 2HA GLY 52 26.738 -16.101 -4.807 374 H PHE 53 H PHE 53 23.672 -15.410 -3.768 375 HA PHE 53 HA PHE 53 23.645 -12.668 -4.764 376 HB2 PHE 53 1HB PHE 53 22.090 -14.933 -6.024 377 HB3 PHE 53 2HB PHE 53 21.746 -13.231 -6.313 378 HD1 PHE 53 HD2 PHE 53 24.158 -15.944 -6.850 379 HD2 PHE 53 HD1 PHE 53 23.146 -11.902 -7.720 380 HE1 PHE 53 HE2 PHE 53 25.832 -15.916 -8.653 381 HE2 PHE 53 HE1 PHE 53 24.818 -11.868 -9.525 382 HZ PHE 53 HZ PHE 53 26.165 -13.877 -9.993 383 H ILE 54 H ILE 54 21.841 -11.467 -4.124 384 HA ILE 54 HA ILE 54 20.297 -12.702 -1.951 385 HB ILE 54 HB ILE 54 20.941 -9.814 -2.535 386 HG12 ILE 54 1HG1 ILE 54 22.716 -11.123 -1.445 387 HG13 ILE 54 2HG1 ILE 54 22.058 -9.906 -0.355 388 HG21 ILE 54 1HG2 ILE 54 19.713 -9.876 -0.071 389 HG22 ILE 54 2HG2 ILE 54 18.991 -9.309 -1.576 390 HG23 ILE 54 3HG2 ILE 54 18.727 -10.969 -1.043 391 HD11 ILE 54 3HD1 ILE 54 22.253 -11.773 0.987 392 HD12 ILE 54 1HD1 ILE 54 20.558 -11.816 0.502 393 HD13 ILE 54 2HD1 ILE 54 21.729 -12.872 -0.289 394 H ASP 55 H ASP 55 18.444 -13.499 -2.741 395 HA ASP 55 HA ASP 55 17.059 -12.485 -4.980 396 HB2 ASP 55 1HB ASP 55 15.801 -14.105 -2.769 397 HB3 ASP 55 2HB ASP 55 15.366 -14.072 -4.476 398 H PHE 56 H PHE 56 14.446 -12.223 -4.379 399 HA PHE 56 HA PHE 56 14.375 -9.597 -3.174 400 HB2 PHE 56 1HB PHE 56 13.116 -10.306 -5.284 401 HB3 PHE 56 2HB PHE 56 12.008 -11.151 -4.209 402 HD1 PHE 56 HD1 PHE 56 11.119 -9.648 -2.202 403 HD2 PHE 56 HD2 PHE 56 12.568 -8.177 -5.924 404 HE1 PHE 56 HE1 PHE 56 9.855 -7.564 -1.867 405 HE2 PHE 56 HE2 PHE 56 11.307 -6.091 -5.595 406 HZ PHE 56 HZ PHE 56 9.949 -5.781 -3.564 407 H ASN 57 H ASN 57 13.118 -12.821 -2.484 408 HA ASN 57 HA ASN 57 11.476 -12.156 -0.312 409 HB2 ASN 57 1HB ASN 57 12.717 -14.617 -1.377 410 HB3 ASN 57 2HB ASN 57 12.302 -14.662 0.333 411 HD21 ASN 57 2HD2 ASN 57 10.996 -13.963 -2.866 412 HD22 ASN 57 1HD2 ASN 57 9.372 -14.427 -2.501 413 H GLU 58 H GLU 58 14.691 -13.698 -0.132 414 HA GLU 58 HA GLU 58 15.107 -13.374 2.577 415 HB2 GLU 58 1HB GLU 58 17.569 -13.426 1.992 416 HB3 GLU 58 2HB GLU 58 16.606 -14.760 1.373 417 HG2 GLU 58 1HG GLU 58 16.425 -13.220 -0.746 418 HG3 GLU 58 2HG GLU 58 17.899 -12.516 -0.083 419 H PHE 59 H PHE 59 15.437 -11.044 0.003 420 HA PHE 59 HA PHE 59 17.030 -9.119 1.201 421 HB2 PHE 59 1HB PHE 59 16.056 -9.161 -1.172 422 HB3 PHE 59 2HB PHE 59 14.618 -8.428 -0.469 423 HD1 PHE 59 HD1 PHE 59 18.317 -7.925 -0.318 424 HD2 PHE 59 HD2 PHE 59 14.462 -6.158 -0.687 425 HE1 PHE 59 HE1 PHE 59 19.357 -5.704 -0.521 426 HE2 PHE 59 HE2 PHE 59 15.496 -3.935 -0.892 427 HZ PHE 59 HZ PHE 59 17.947 -3.706 -0.810 428 H ILE 60 H ILE 60 13.557 -9.681 1.544 429 HA ILE 60 HA ILE 60 13.238 -7.440 3.344 430 HB ILE 60 HB ILE 60 11.174 -9.578 2.950 431 HG12 ILE 60 1HG1 ILE 60 11.809 -7.316 1.044 432 HG13 ILE 60 2HG1 ILE 60 11.953 -9.037 0.705 433 HG21 ILE 60 1HG2 ILE 60 10.916 -7.691 4.602 434 HG22 ILE 60 2HG2 ILE 60 10.851 -6.600 3.219 435 HG23 ILE 60 3HG2 ILE 60 9.622 -7.850 3.414 436 HD11 ILE 60 3HD1 ILE 60 9.881 -9.027 -0.051 437 HD12 ILE 60 1HD1 ILE 60 9.309 -8.589 1.558 438 HD13 ILE 60 2HD1 ILE 60 9.703 -7.329 0.389 439 H SER 61 H SER 61 13.705 -10.887 3.544 440 HA SER 61 HA SER 61 12.791 -11.439 6.098 441 HB2 SER 61 1HB SER 61 13.524 -13.248 4.719 442 HB3 SER 61 2HB SER 61 15.143 -12.565 4.570 443 HG SER 61 HG SER 61 14.195 -14.229 6.436 444 H PHE 62 H PHE 62 15.981 -10.230 5.108 445 HA PHE 62 HA PHE 62 16.804 -9.924 7.873 446 HB2 PHE 62 1HB PHE 62 18.142 -10.259 5.408 447 HB3 PHE 62 2HB PHE 62 18.599 -8.669 6.010 448 HD1 PHE 62 HD1 PHE 62 18.131 -12.122 7.355 449 HD2 PHE 62 HD2 PHE 62 20.487 -8.577 7.298 450 HE1 PHE 62 HE1 PHE 62 19.744 -13.173 8.887 451 HE2 PHE 62 HE2 PHE 62 22.104 -9.623 8.829 452 HZ PHE 62 HZ PHE 62 21.735 -11.924 9.625 453 H CYS 63 H CYS 63 16.234 -7.819 5.065 454 HA CYS 63 HA CYS 63 16.787 -5.367 6.178 455 HB2 CYS 63 1HB CYS 63 16.272 -5.512 3.846 456 HB3 CYS 63 2HB CYS 63 14.665 -6.148 4.178 457 HG CYS 63 HG CYS 63 14.927 -3.331 3.236 458 H ASN 64 H ASN 64 13.882 -7.323 6.531 459 HA ASN 64 HA ASN 64 12.201 -5.460 7.731 460 HB2 ASN 64 1HB ASN 64 11.436 -7.671 6.998 461 HB3 ASN 64 2HB ASN 64 12.388 -8.432 8.269 462 HD21 ASN 64 2HD2 ASN 64 10.353 -5.542 8.342 463 HD22 ASN 64 1HD2 ASN 64 9.274 -6.119 9.562 464 H ALA 65 H ALA 65 14.813 -7.372 9.086 465 HA ALA 65 HA ALA 65 14.229 -6.762 11.814 466 HB1 ALA 65 1HB ALA 65 16.117 -8.369 10.380 467 HB2 ALA 65 2HB ALA 65 16.956 -7.398 11.591 468 HB3 ALA 65 3HB ALA 65 15.633 -8.460 12.074 469 H ASN 66 H ASN 66 15.564 -4.976 9.277 470 HA ASN 66 HA ASN 66 16.903 -3.144 11.154 471 HB2 ASN 66 1HB ASN 66 17.394 -3.757 8.249 472 HB3 ASN 66 2HB ASN 66 17.960 -2.251 8.966 473 HD21 ASN 66 2HD2 ASN 66 17.861 -5.655 9.976 474 HD22 ASN 66 1HD2 ASN 66 19.528 -5.746 10.418 475 HA PRO 67 HA PRO 67 13.061 -0.967 9.791 476 HB2 PRO 67 1HB PRO 67 12.560 0.131 12.223 477 HB3 PRO 67 2HB PRO 67 12.018 -1.489 11.771 478 HG2 PRO 67 1HG PRO 67 14.398 -0.671 13.392 479 HG3 PRO 67 2HG PRO 67 13.249 -1.991 13.679 480 HD2 PRO 67 1HD PRO 67 15.693 -2.399 12.588 481 HD3 PRO 67 2HD PRO 67 14.281 -3.387 12.163 482 H GLY 68 H GLY 68 16.004 -0.015 11.386 483 HA2 GLY 68 1HA GLY 68 15.531 2.821 11.066 484 HA3 GLY 68 2HA GLY 68 17.006 2.066 11.653 485 H LEU 69 H LEU 69 16.742 0.301 9.108 486 HA LEU 69 HA LEU 69 18.339 2.091 7.454 487 HB2 LEU 69 1HB LEU 69 19.144 -0.182 7.978 488 HB3 LEU 69 2HB LEU 69 17.754 -0.848 7.123 489 HG LEU 69 HG LEU 69 19.765 0.917 5.754 490 HD11 LEU 69 1HD1 LEU 69 20.055 -1.859 6.642 491 HD12 LEU 69 2HD1 LEU 69 21.276 -0.691 6.139 492 HD13 LEU 69 3HD1 LEU 69 20.375 -1.601 4.927 493 HD21 LEU 69 3HD2 LEU 69 18.767 -0.941 3.989 494 HD22 LEU 69 1HD2 LEU 69 18.221 0.727 4.154 495 HD23 LEU 69 2HD2 LEU 69 17.374 -0.566 5.004 496 H MET 70 H MET 70 15.529 -0.064 7.080 497 HA MET 70 HA MET 70 14.899 0.495 4.448 498 HB2 MET 70 1HB MET 70 12.526 -0.051 5.121 499 HB3 MET 70 2HB MET 70 13.731 -1.258 5.548 500 HG2 MET 70 1HG MET 70 13.761 -0.446 7.837 501 HG3 MET 70 2HG MET 70 12.593 0.805 7.419 502 HE1 MET 70 3HE MET 70 12.630 -3.416 8.062 503 HE2 MET 70 1HE MET 70 11.649 -3.523 6.600 504 HE3 MET 70 2HE MET 70 13.225 -2.733 6.547 505 H LYS 71 H LYS 71 14.552 2.488 7.247 506 HA LYS 71 HA LYS 71 12.641 4.294 6.071 507 HB2 LYS 71 1HB LYS 71 14.283 4.328 8.592 508 HB3 LYS 71 2HB LYS 71 13.351 5.732 8.090 509 HG2 LYS 71 1HG LYS 71 11.331 4.235 8.034 510 HG3 LYS 71 2HG LYS 71 12.326 3.000 8.809 511 HD2 LYS 71 1HD LYS 71 12.464 5.611 10.116 512 HD3 LYS 71 2HD LYS 71 10.845 4.906 10.112 513 HE2 LYS 71 1HE LYS 71 11.734 2.855 11.096 514 HE3 LYS 71 2HE LYS 71 13.357 3.542 11.079 515 HZ1 LYS 71 3HZ LYS 71 11.075 4.721 12.565 516 HZ2 LYS 71 1HZ LYS 71 12.698 5.193 12.647 517 HZ3 LYS 71 2HZ LYS 71 12.224 3.689 13.257 518 H ASP 72 H ASP 72 16.105 4.022 6.276 519 HA ASP 72 HA ASP 72 16.541 6.731 5.324 520 HB2 ASP 72 1HB ASP 72 18.100 4.764 6.689 521 HB3 ASP 72 2HB ASP 72 18.929 5.191 5.194 522 H VAL 73 H VAL 73 16.777 3.419 4.127 523 HA VAL 73 HA VAL 73 17.892 4.094 1.602 524 HB VAL 73 HB VAL 73 18.089 1.833 2.476 525 HG11 VAL 73 1HG1 VAL 73 15.290 1.112 1.881 526 HG12 VAL 73 2HG1 VAL 73 16.373 0.524 3.145 527 HG13 VAL 73 3HG1 VAL 73 15.552 2.074 3.336 528 HG21 VAL 73 3HG2 VAL 73 18.238 2.048 0.093 529 HG22 VAL 73 1HG2 VAL 73 17.328 0.582 0.458 530 HG23 VAL 73 2HG2 VAL 73 16.482 2.038 -0.068 531 H ALA 74 H ALA 74 14.603 3.705 2.797 532 HA ALA 74 HA ALA 74 13.390 3.941 0.207 533 HB1 ALA 74 1HB ALA 74 11.953 4.409 2.796 534 HB2 ALA 74 2HB ALA 74 11.339 3.725 1.290 535 HB3 ALA 74 3HB ALA 74 12.439 2.787 2.300 536 H LYS 75 H LYS 75 15.070 6.128 1.866 537 HA LYS 75 HA LYS 75 13.253 8.382 1.501 538 HB2 LYS 75 1HB LYS 75 14.528 9.518 2.999 539 HB3 LYS 75 2HB LYS 75 15.021 7.895 3.463 540 HG2 LYS 75 1HG LYS 75 16.913 8.195 1.758 541 HG3 LYS 75 2HG LYS 75 16.507 9.912 1.822 542 HD2 LYS 75 1HD LYS 75 16.879 8.474 4.396 543 HD3 LYS 75 2HD LYS 75 18.317 8.830 3.435 544 HE2 LYS 75 1HE LYS 75 17.128 11.218 3.316 545 HE3 LYS 75 2HE LYS 75 16.466 10.661 4.852 546 HZ1 LYS 75 3HZ LYS 75 18.402 11.705 5.484 547 HZ2 LYS 75 1HZ LYS 75 19.270 11.188 4.127 548 HZ3 LYS 75 2HZ LYS 75 18.915 10.097 5.369 549 H VAL 76 H VAL 76 16.065 6.922 0.065 550 HA VAL 76 HA VAL 76 16.011 8.992 -2.030 551 HB VAL 76 HB VAL 76 18.020 9.230 -0.571 552 HG11 VAL 76 1HG1 VAL 76 19.181 6.775 -1.784 553 HG12 VAL 76 2HG1 VAL 76 19.577 7.583 -0.266 554 HG13 VAL 76 3HG1 VAL 76 18.118 6.598 -0.389 555 HG21 VAL 76 3HG2 VAL 76 19.593 8.713 -2.758 556 HG22 VAL 76 1HG2 VAL 76 17.986 8.880 -3.468 557 HG23 VAL 76 2HG2 VAL 76 18.659 10.186 -2.492 558 H PHE 77 H PHE 77 16.546 5.638 -1.159 559 HA PHE 77 HA PHE 77 16.752 4.882 -3.978 560 HB2 PHE 77 1HB PHE 77 17.503 3.624 -1.403 561 HB3 PHE 77 2HB PHE 77 16.950 2.530 -2.667 562 HD1 PHE 77 HD2 PHE 77 18.726 5.655 -3.395 563 HD2 PHE 77 HD1 PHE 77 19.061 1.436 -2.939 564 HE1 PHE 77 HE2 PHE 77 20.959 5.724 -4.427 565 HE2 PHE 77 HE1 PHE 77 21.295 1.499 -3.969 566 HZ PHE 77 HZ PHE 77 22.246 3.644 -4.716
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